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_D 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 3.960 3.960 -0.000 0.000 0.244 28 G C 0.000 174.878 174.900 -0.037 0.000 0.946 28 G CA 0.000 45.080 45.100 -0.033 0.000 0.502 29 P HA 0.421 nan 4.420 nan 0.000 0.275 29 P C -0.112 177.103 177.300 -0.142 0.000 1.227 29 P CA 0.090 63.142 63.100 -0.079 0.000 0.781 29 P CB 1.360 32.999 31.700 -0.102 0.000 0.906 30 T N -0.882 113.596 114.554 -0.126 0.000 2.901 30 T HA 0.495 4.845 4.350 -0.000 0.000 0.293 30 T C -0.236 174.333 174.700 -0.218 0.000 1.084 30 T CA -1.133 60.879 62.100 -0.146 0.000 1.008 30 T CB 1.108 69.943 68.868 -0.056 0.000 1.170 30 T HN -0.013 nan 8.240 nan 0.000 0.509 31 K N 1.354 121.567 120.400 -0.311 0.000 2.484 31 K HA 0.550 4.869 4.320 -0.000 0.000 0.280 31 K C 0.397 176.795 176.600 -0.338 0.000 1.013 31 K CA 0.196 56.185 56.287 -0.497 0.000 1.029 31 K CB 0.045 32.292 32.500 -0.422 0.000 0.902 31 K HN 0.861 nan 8.250 nan 0.000 0.481 32 A N 5.692 128.301 122.820 -0.351 0.000 2.440 32 A HA 0.224 4.544 4.320 -0.000 0.000 0.251 32 A C -1.408 176.017 177.584 -0.264 0.000 1.089 32 A CA -1.076 50.629 52.037 -0.553 0.000 0.779 32 A CB 0.009 18.700 19.000 -0.516 0.000 1.022 32 A HN 0.629 nan 8.150 nan 0.000 0.492 33 P HA -0.035 nan 4.420 nan 0.000 0.222 33 P C 0.529 177.816 177.300 -0.021 0.000 1.147 33 P CA 0.777 63.780 63.100 -0.161 0.000 0.790 33 P CB -0.347 31.241 31.700 -0.188 0.000 0.780 34 T N 1.318 115.875 114.554 0.004 0.000 2.830 34 T HA 0.164 4.514 4.350 -0.000 0.000 0.282 34 T C 0.643 175.474 174.700 0.219 0.000 1.024 34 T CA 0.635 62.803 62.100 0.112 0.000 1.144 34 T CB -0.228 68.688 68.868 0.079 0.000 1.035 34 T HN 0.232 nan 8.240 nan 0.000 0.507 35 K N 2.802 123.294 120.400 0.153 0.000 2.205 35 K HA 0.304 4.624 4.320 -0.000 0.000 0.279 35 K C 0.105 176.804 176.600 0.164 0.000 1.027 35 K CA -0.831 55.533 56.287 0.128 0.000 0.932 35 K CB 0.152 32.689 32.500 0.061 0.000 1.032 35 K HN 0.776 nan 8.250 nan 0.000 0.466 36 D N 0.976 121.421 120.400 0.074 0.000 2.703 36 D HA 0.258 4.898 4.640 -0.000 0.000 0.225 36 D C 1.405 177.704 176.300 -0.002 0.000 1.119 36 D CA 2.582 56.570 54.000 -0.019 0.000 0.845 36 D CB 0.382 41.139 40.800 -0.071 0.000 1.182 36 D HN 1.002 nan 8.370 nan 0.000 0.493 37 G N 1.576 110.354 108.800 -0.036 0.000 2.159 37 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.256 37 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.256 37 G C 0.529 175.406 174.900 -0.038 0.000 0.977 37 G CA 0.321 45.394 45.100 -0.046 0.000 0.652 37 G HN 0.620 nan 8.290 nan 0.000 0.531 38 T N 1.994 116.549 114.554 0.002 0.000 2.902 38 T HA 0.447 4.797 4.350 -0.000 0.000 0.301 38 T C 1.112 175.722 174.700 -0.150 0.000 1.012 38 T CA 0.610 62.684 62.100 -0.044 0.000 1.151 38 T CB 1.068 69.919 68.868 -0.028 0.000 0.946 38 T HN 1.233 nan 8.240 nan 0.000 0.542 39 S N 3.217 118.840 115.700 -0.129 0.000 2.564 39 S HA 0.125 4.595 4.470 -0.000 0.000 0.278 39 S C 0.811 175.311 174.600 -0.166 0.000 1.333 39 S CA -0.586 57.528 58.200 -0.144 0.000 1.048 39 S CB 0.215 63.380 63.200 -0.059 0.000 0.900 39 S HN 0.576 nan 8.310 nan 0.000 0.505 40 Y N 1.842 122.136 120.300 -0.010 0.000 2.256 40 Y HA -0.099 4.451 4.550 -0.000 0.000 0.288 40 Y C 2.465 178.345 175.900 -0.034 0.000 1.155 40 Y CA 1.578 59.658 58.100 -0.035 0.000 1.203 40 Y CB -0.560 37.896 38.460 -0.006 0.000 0.980 40 Y HN 0.808 nan 8.280 nan 0.000 0.530 41 K N 0.374 120.826 120.400 0.086 0.000 2.044 41 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 41 K C 1.548 178.185 176.600 0.062 0.000 1.049 41 K CA 2.194 58.500 56.287 0.031 0.000 0.927 41 K CB -0.186 32.291 32.500 -0.037 0.000 0.713 41 K HN 0.176 nan 8.250 nan 0.000 0.443 42 D N 0.544 120.945 120.400 0.002 0.000 2.149 42 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 42 D C 2.025 178.287 176.300 -0.064 0.000 0.972 42 D CA 0.801 54.790 54.000 -0.019 0.000 0.835 42 D CB -0.077 40.698 40.800 -0.042 0.000 0.966 42 D HN 0.230 nan 8.370 nan 0.000 0.476 43 L N 0.025 121.162 121.223 -0.143 0.000 2.013 43 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 43 L C 2.425 179.156 176.870 -0.230 0.000 1.073 43 L CA 1.103 55.745 54.840 -0.330 0.000 0.753 43 L CB -0.473 41.313 42.059 -0.455 0.000 0.890 43 L HN 0.025 nan 8.230 nan 0.000 0.432 44 F N 0.677 120.534 119.950 -0.155 0.000 2.095 44 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 44 F C 2.246 178.039 175.800 -0.012 0.000 1.104 44 F CA 1.672 59.619 58.000 -0.087 0.000 1.232 44 F CB -0.220 38.738 39.000 -0.070 0.000 0.987 44 F HN -0.106 nan 8.300 nan 0.000 0.475 45 L N 0.072 121.342 121.223 0.078 0.000 2.131 45 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 45 L C 2.506 179.369 176.870 -0.012 0.000 1.092 45 L CA 1.759 56.634 54.840 0.059 0.000 0.759 45 L CB -0.840 41.304 42.059 0.142 0.000 0.903 45 L HN 0.335 nan 8.230 nan 0.000 0.435 46 E N 0.753 120.923 120.200 -0.050 0.000 2.015 46 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 46 E C 2.409 178.998 176.600 -0.019 0.000 0.991 46 E CA 0.930 57.329 56.400 -0.000 0.000 0.802 46 E CB -0.030 29.692 29.700 0.035 0.000 0.759 46 E HN 0.404 nan 8.360 nan 0.000 0.447 47 L N 0.415 121.566 121.223 -0.120 0.000 2.012 47 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 47 L C 2.578 179.318 176.870 -0.216 0.000 1.073 47 L CA 1.778 56.557 54.840 -0.102 0.000 0.748 47 L CB -0.479 41.484 42.059 -0.160 0.000 0.891 47 L HN 0.363 nan 8.230 nan 0.000 0.431 48 Y N 0.306 120.287 120.300 -0.532 0.000 2.081 48 Y HA -0.285 4.265 4.550 -0.000 0.000 0.280 48 Y C 2.256 177.978 175.900 -0.296 0.000 1.163 48 Y CA 2.006 59.786 58.100 -0.534 0.000 1.135 48 Y CB -0.721 37.267 38.460 -0.787 0.000 0.970 48 Y HN 0.170 nan 8.280 nan 0.000 0.498 49 G N -0.004 108.771 108.800 -0.040 0.000 2.440 49 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 49 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 49 G C 1.618 176.463 174.900 -0.092 0.000 1.154 49 G CA 1.186 46.263 45.100 -0.039 0.000 0.767 49 G HN 0.427 nan 8.290 nan 0.000 0.552 50 K N -0.075 120.291 120.400 -0.056 0.000 2.057 50 K HA 0.101 4.420 4.320 -0.000 0.000 0.206 50 K C 2.429 179.031 176.600 0.003 0.000 1.050 50 K CA 0.790 57.075 56.287 -0.003 0.000 0.935 50 K CB -0.224 32.300 32.500 0.040 0.000 0.715 50 K HN 0.311 nan 8.250 nan 0.000 0.439 51 I N 1.433 121.904 120.570 -0.165 0.000 2.264 51 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 51 I C 2.026 178.124 176.117 -0.030 0.000 1.111 51 I CA 1.237 62.352 61.300 -0.309 0.000 1.382 51 I CB -0.095 37.601 38.000 -0.507 0.000 1.060 51 I HN 0.056 nan 8.210 nan 0.000 0.418 52 K N -0.024 120.242 120.400 -0.222 0.000 2.361 52 K HA 0.031 4.351 4.320 -0.000 0.000 0.196 52 K C 0.363 176.885 176.600 -0.131 0.000 1.039 52 K CA 0.212 56.343 56.287 -0.259 0.000 1.001 52 K CB -0.449 31.718 32.500 -0.555 0.000 0.795 52 K HN 0.192 nan 8.250 nan 0.000 0.495 53 D N 2.131 122.504 120.400 -0.045 0.000 2.434 53 D HA -0.004 4.635 4.640 -0.000 0.000 0.252 53 D C -1.733 174.576 176.300 0.015 0.000 1.185 53 D CA -1.637 52.354 54.000 -0.015 0.000 0.886 53 D CB 1.436 42.239 40.800 0.006 0.000 1.148 53 D HN -0.106 nan 8.370 nan 0.000 0.483 54 P HA -0.141 nan 4.420 nan 0.000 0.218 54 P C 1.121 178.425 177.300 0.006 0.000 1.148 54 P CA 1.828 64.927 63.100 -0.001 0.000 0.822 54 P CB 0.146 31.834 31.700 -0.021 0.000 0.784 55 K N -0.147 120.251 120.400 -0.003 0.000 2.211 55 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 55 K C 1.779 178.355 176.600 -0.039 0.000 1.050 55 K CA 1.572 57.849 56.287 -0.016 0.000 0.945 55 K CB -1.681 30.810 32.500 -0.015 0.000 0.732 55 K HN 0.186 nan 8.250 nan 0.000 0.451 56 N N -0.457 118.222 118.700 -0.035 0.000 2.331 56 N HA 0.021 4.760 4.740 -0.000 0.000 0.180 56 N C 1.387 176.774 175.510 -0.205 0.000 1.019 56 N CA 1.284 54.265 53.050 -0.115 0.000 0.881 56 N CB 0.214 38.675 38.487 -0.043 0.000 0.972 56 N HN 0.700 nan 8.380 nan 0.000 0.435 57 G N -0.405 108.354 108.800 -0.068 0.000 2.132 57 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.228 57 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.228 57 G C 0.433 175.306 174.900 -0.046 0.000 1.000 57 G CA 0.170 45.242 45.100 -0.047 0.000 0.693 57 G HN 0.340 nan 8.290 nan 0.000 0.515 58 Y N -0.866 119.447 120.300 0.021 0.000 2.373 58 Y HA 0.372 4.922 4.550 -0.000 0.000 0.293 58 Y C 1.402 176.983 175.900 -0.531 0.000 1.129 58 Y CA 1.018 59.036 58.100 -0.137 0.000 1.226 58 Y CB 0.074 38.485 38.460 -0.082 0.000 1.000 58 Y HN 0.322 nan 8.280 nan 0.000 0.549 59 F N -1.051 118.758 119.950 -0.235 0.000 2.538 59 F HA 0.363 4.890 4.527 -0.000 0.000 0.325 59 F C 0.462 175.898 175.800 -0.607 0.000 1.066 59 F CA -2.029 55.635 58.000 -0.560 0.000 0.946 59 F CB 0.849 39.581 39.000 -0.447 0.000 1.199 59 F HN -0.378 nan 8.300 nan 0.000 0.473 60 S N 2.469 117.736 115.700 -0.722 0.000 2.549 60 S HA 0.135 4.605 4.470 -0.000 0.000 0.286 60 S C -1.757 172.727 174.600 -0.193 0.000 1.314 60 S CA -0.877 57.016 58.200 -0.511 0.000 1.062 60 S CB 0.792 63.652 63.200 -0.568 0.000 0.865 60 S HN 0.488 nan 8.310 nan 0.000 0.498 61 P HA -0.088 nan 4.420 nan 0.000 0.216 61 P C 0.551 177.819 177.300 -0.055 0.000 1.153 61 P CA 1.206 64.279 63.100 -0.045 0.000 0.848 61 P CB -0.022 31.674 31.700 -0.006 0.000 0.787 62 D N -0.282 120.075 120.400 -0.071 0.000 2.224 62 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 62 D C 1.601 177.862 176.300 -0.065 0.000 0.965 62 D CA 1.100 55.066 54.000 -0.056 0.000 0.852 62 D CB -0.069 40.697 40.800 -0.058 0.000 0.947 62 D HN 0.433 nan 8.370 nan 0.000 0.494 63 E N -1.212 118.897 120.200 -0.151 0.000 2.702 63 E HA 0.176 4.526 4.350 -0.000 0.000 0.225 63 E C 1.114 177.675 176.600 -0.064 0.000 0.942 63 E CA 0.529 56.861 56.400 -0.113 0.000 1.210 63 E CB -0.130 29.398 29.700 -0.288 0.000 1.143 63 E HN 0.049 nan 8.360 nan 0.000 0.544 64 G N 2.134 110.864 108.800 -0.117 0.000 2.198 64 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 64 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 64 G C -0.003 174.871 174.900 -0.045 0.000 1.042 64 G CA 0.396 45.456 45.100 -0.068 0.000 0.791 64 G HN 0.315 nan 8.290 nan 0.000 0.502 65 I N 1.967 122.369 120.570 -0.280 0.000 2.342 65 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 65 I C -1.628 174.002 176.117 -0.812 0.000 1.010 65 I CA -2.519 58.516 61.300 -0.442 0.000 1.308 65 I CB 1.431 39.164 38.000 -0.446 0.000 1.400 65 I HN -0.084 nan 8.210 nan 0.000 0.488 66 P HA 0.055 nan 4.420 nan 0.000 0.271 66 P C -1.113 175.520 177.300 -1.112 0.000 1.226 66 P CA 0.121 62.256 63.100 -1.608 0.000 0.765 66 P CB 0.235 30.661 31.700 -2.123 0.000 0.835 67 Y N 1.127 120.948 120.300 -0.798 0.000 2.298 67 Y HA 0.067 4.617 4.550 -0.000 0.000 0.329 67 Y C 2.430 178.145 175.900 -0.308 0.000 1.293 67 Y CA 0.173 57.979 58.100 -0.489 0.000 1.388 67 Y CB -0.092 38.058 38.460 -0.517 0.000 1.309 67 Y HN 0.498 nan 8.280 nan 0.000 0.544 68 H N 0.176 119.238 119.070 -0.012 0.000 2.319 68 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 68 H C 0.028 175.388 175.328 0.053 0.000 1.092 68 H CA 1.389 57.458 56.048 0.034 0.000 1.302 68 H CB 0.180 29.945 29.762 0.005 0.000 1.373 68 H HN 0.470 nan 8.280 nan 0.000 0.497 69 S N -2.138 113.546 115.700 -0.026 0.000 2.570 69 S HA 0.257 4.726 4.470 -0.000 0.000 0.270 69 S C 0.872 175.466 174.600 -0.010 0.000 1.149 69 S CA -0.453 57.701 58.200 -0.076 0.000 0.837 69 S CB 0.613 63.693 63.200 -0.200 0.000 1.124 69 S HN 0.193 nan 8.310 nan 0.000 0.465 70 I N 0.656 121.200 120.570 -0.044 0.000 2.208 70 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 70 I C 0.712 176.794 176.117 -0.058 0.000 1.097 70 I CA 1.322 62.567 61.300 -0.091 0.000 1.363 70 I CB -0.306 37.517 38.000 -0.294 0.000 1.051 70 I HN 0.686 nan 8.210 nan 0.000 0.413 71 E N 0.429 120.577 120.200 -0.087 0.000 2.373 71 E HA 0.005 4.354 4.350 -0.000 0.000 0.267 71 E C 1.239 177.624 176.600 -0.358 0.000 1.032 71 E CA 0.338 56.636 56.400 -0.169 0.000 0.889 71 E CB 0.726 30.423 29.700 -0.005 0.000 0.984 71 E HN 0.226 nan 8.360 nan 0.000 0.425 72 T N 0.135 114.394 114.554 -0.492 0.000 2.976 72 T HA -0.021 4.329 4.350 -0.000 0.000 0.257 72 T C 0.755 175.240 174.700 -0.358 0.000 1.051 72 T CA -0.147 61.493 62.100 -0.767 0.000 1.141 72 T CB 0.102 68.522 68.868 -0.745 0.000 0.881 72 T HN 0.209 nan 8.240 nan 0.000 0.461 73 L N 2.141 123.363 121.223 -0.002 0.000 2.312 73 L HA 0.699 5.039 4.340 -0.000 0.000 0.287 73 L C -0.785 176.205 176.870 0.199 0.000 1.091 73 L CA -1.728 53.214 54.840 0.171 0.000 0.846 73 L CB -0.641 41.471 42.059 0.088 0.000 1.219 73 L HN 0.445 nan 8.230 nan 0.000 0.439 74 I N 4.817 125.462 120.570 0.125 0.000 2.710 74 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 74 I C -1.719 174.393 176.117 -0.010 0.000 1.318 74 I CA -0.450 60.885 61.300 0.058 0.000 1.045 74 I CB 2.209 40.011 38.000 -0.330 0.000 1.307 74 I HN 0.228 nan 8.210 nan 0.000 0.424 75 V N 7.467 127.381 119.914 -0.000 0.000 2.525 75 V HA 0.650 4.770 4.120 -0.000 0.000 0.299 75 V C -0.484 175.528 176.094 -0.138 0.000 1.034 75 V CA -0.233 61.896 62.300 -0.285 0.000 0.863 75 V CB 1.550 32.778 31.823 -0.992 0.000 0.999 75 V HN 0.891 nan 8.190 nan 0.000 0.423 76 E N 3.837 123.922 120.200 -0.192 0.000 2.281 76 E HA 0.603 4.953 4.350 -0.000 0.000 0.255 76 E C 0.981 177.528 176.600 -0.088 0.000 1.229 76 E CA -0.374 55.962 56.400 -0.106 0.000 0.908 76 E CB 0.964 30.639 29.700 -0.043 0.000 1.670 76 E HN 0.573 nan 8.360 nan 0.000 0.480 77 A N 0.414 123.225 122.820 -0.014 0.000 1.861 77 A HA -0.181 4.139 4.320 -0.000 0.000 0.248 77 A C -1.186 176.548 177.584 0.249 0.000 2.075 77 A CA 2.680 54.811 52.037 0.157 0.000 0.818 77 A CB -2.658 16.439 19.000 0.162 0.000 0.844 77 A HN 0.636 nan 8.150 nan 0.000 0.498 78 P HA 0.253 nan 4.420 nan 0.000 0.274 78 P C -1.007 176.235 177.300 -0.096 0.000 1.237 78 P CA 0.372 63.444 63.100 -0.048 0.000 0.793 78 P CB 0.587 32.118 31.700 -0.281 0.000 0.977 79 D N -0.864 119.533 120.400 -0.005 0.000 2.462 79 D HA 0.135 4.774 4.640 -0.000 0.000 0.221 79 D C -0.574 175.858 176.300 0.220 0.000 1.173 79 D CA -0.347 53.685 54.000 0.053 0.000 0.831 79 D CB -0.536 40.343 40.800 0.132 0.000 1.001 79 D HN 0.304 nan 8.370 nan 0.000 0.499 80 Y N -0.691 119.566 120.300 -0.073 0.000 2.474 80 Y HA 0.482 5.032 4.550 -0.000 0.000 0.326 80 Y C 0.883 176.662 175.900 -0.202 0.000 1.160 80 Y CA -0.900 57.064 58.100 -0.226 0.000 1.056 80 Y CB 1.762 39.908 38.460 -0.523 0.000 1.330 80 Y HN -0.158 nan 8.280 nan 0.000 0.447 81 G N 1.931 110.210 108.800 -0.869 0.000 2.511 81 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 81 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 81 G C 0.529 175.189 174.900 -0.400 0.000 1.133 81 G CA 0.434 45.237 45.100 -0.496 0.000 0.792 81 G HN 0.821 nan 8.290 nan 0.000 0.539 82 H N -0.301 118.104 119.070 -1.108 0.000 2.487 82 H HA 0.258 4.814 4.556 -0.000 0.000 0.290 82 H C 0.887 176.169 175.328 -0.078 0.000 1.081 82 H CA -0.739 54.889 56.048 -0.701 0.000 1.116 82 H CB 0.630 29.807 29.762 -0.975 0.000 1.560 82 H HN 0.246 nan 8.280 nan 0.000 0.548 83 V N -0.644 119.329 119.914 0.099 0.000 3.319 83 V HA 0.237 4.356 4.120 -0.000 0.000 0.303 83 V C 0.582 176.731 176.094 0.092 0.000 1.094 83 V CA -0.350 62.028 62.300 0.130 0.000 1.106 83 V CB 1.791 33.648 31.823 0.056 0.000 1.099 83 V HN 0.096 nan 8.190 nan 0.000 0.476 84 T N 1.095 115.668 114.554 0.032 0.000 2.932 84 T HA 0.741 5.090 4.350 -0.000 0.000 0.289 84 T C -0.279 174.421 174.700 0.000 0.000 1.039 84 T CA 0.235 62.325 62.100 -0.017 0.000 1.024 84 T CB 1.383 70.198 68.868 -0.089 0.000 1.090 84 T HN 1.460 nan 8.240 nan 0.000 0.496 85 T N -0.409 114.181 114.554 0.061 0.000 2.916 85 T HA 0.445 4.795 4.350 -0.000 0.000 0.292 85 T C 1.506 176.374 174.700 0.279 0.000 1.055 85 T CA -0.086 62.081 62.100 0.111 0.000 1.009 85 T CB 1.340 70.312 68.868 0.172 0.000 1.118 85 T HN 0.592 nan 8.240 nan 0.000 0.497 86 S N 0.052 115.916 115.700 0.273 0.000 2.399 86 S HA -0.189 4.281 4.470 -0.000 0.000 0.231 86 S C 1.666 176.425 174.600 0.266 0.000 1.022 86 S CA 1.247 59.614 58.200 0.279 0.000 0.983 86 S CB -0.753 62.545 63.200 0.165 0.000 0.803 86 S HN 0.863 nan 8.310 nan 0.000 0.480 87 E N 2.016 122.365 120.200 0.248 0.000 2.038 87 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 87 E C 2.260 179.107 176.600 0.411 0.000 1.000 87 E CA 1.221 57.769 56.400 0.247 0.000 0.803 87 E CB -0.599 29.251 29.700 0.249 0.000 0.750 87 E HN 0.625 nan 8.360 nan 0.000 0.448 88 A N 0.500 123.550 122.820 0.383 0.000 1.873 88 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 88 A C 2.032 179.809 177.584 0.322 0.000 1.193 88 A CA 1.782 54.028 52.037 0.348 0.000 0.629 88 A CB -1.227 17.764 19.000 -0.016 0.000 0.826 88 A HN 0.431 nan 8.150 nan 0.000 0.447 89 F N 1.127 121.208 119.950 0.219 0.000 2.161 89 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 89 F C 2.984 178.940 175.800 0.260 0.000 1.089 89 F CA 1.823 59.962 58.000 0.231 0.000 1.282 89 F CB -0.136 38.908 39.000 0.075 0.000 1.010 89 F HN 0.398 nan 8.300 nan 0.000 0.485 90 S N -1.287 114.633 115.700 0.366 0.000 2.395 90 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 90 S C 1.820 176.559 174.600 0.231 0.000 1.027 90 S CA 0.723 59.029 58.200 0.177 0.000 0.965 90 S CB -1.081 62.102 63.200 -0.028 0.000 0.812 90 S HN 0.359 nan 8.310 nan 0.000 0.482 91 Y N 0.651 121.207 120.300 0.426 0.000 2.224 91 Y HA -0.061 4.489 4.550 -0.000 0.000 0.289 91 Y C 2.579 178.866 175.900 0.646 0.000 1.146 91 Y CA 1.339 59.764 58.100 0.542 0.000 1.182 91 Y CB -0.744 38.002 38.460 0.476 0.000 0.983 91 Y HN 0.351 nan 8.280 nan 0.000 0.524 92 Y N 0.210 120.937 120.300 0.713 0.000 2.114 92 Y HA -0.238 4.311 4.550 -0.000 0.000 0.284 92 Y C 2.338 178.576 175.900 0.564 0.000 1.143 92 Y CA 1.307 59.810 58.100 0.672 0.000 1.135 92 Y CB -0.933 37.837 38.460 0.515 0.000 0.980 92 Y HN -0.078 nan 8.280 nan 0.000 0.499 93 V N -0.768 119.406 119.914 0.433 0.000 2.332 93 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 93 V C 2.213 178.641 176.094 0.556 0.000 1.055 93 V CA 1.929 64.456 62.300 0.379 0.000 1.038 93 V CB -1.074 30.975 31.823 0.376 0.000 0.651 93 V HN 0.583 nan 8.190 nan 0.000 0.450 94 W N 0.289 121.797 121.300 0.346 0.000 2.338 94 W HA -0.202 4.458 4.660 -0.000 0.000 0.304 94 W C 2.327 179.100 176.519 0.425 0.000 1.212 94 W CA 1.898 59.450 57.345 0.344 0.000 1.264 94 W CB -0.900 28.697 29.460 0.227 0.000 1.142 94 W HN 0.272 nan 8.180 nan 0.000 0.512 95 L N 1.300 122.910 121.223 0.646 0.000 1.994 95 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 95 L C 2.338 179.604 176.870 0.660 0.000 1.071 95 L CA 2.276 57.462 54.840 0.577 0.000 0.745 95 L CB -1.135 41.238 42.059 0.524 0.000 0.892 95 L HN -0.184 nan 8.230 nan 0.000 0.431 96 E N 0.096 120.677 120.200 0.634 0.000 2.153 96 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 96 E C 2.175 179.079 176.600 0.506 0.000 0.988 96 E CA 1.235 57.976 56.400 0.568 0.000 0.811 96 E CB -0.518 29.451 29.700 0.449 0.000 0.746 96 E HN 0.669 nan 8.360 nan 0.000 0.466 97 A N 1.115 124.291 122.820 0.592 0.000 1.877 97 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 97 A C 2.212 180.152 177.584 0.594 0.000 1.186 97 A CA 1.837 54.304 52.037 0.717 0.000 0.620 97 A CB -0.421 19.074 19.000 0.825 0.000 0.822 97 A HN 0.197 nan 8.150 nan 0.000 0.443 98 M N -1.780 118.076 119.600 0.427 0.000 2.117 98 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 98 M C 1.906 178.005 176.300 -0.336 0.000 1.065 98 M CA 1.578 56.833 55.300 -0.076 0.000 1.114 98 M CB -0.861 31.603 32.600 -0.226 0.000 1.361 98 M HN 0.506 nan 8.290 nan 0.000 0.408 99 Y N 0.137 120.352 120.300 -0.143 0.000 2.097 99 Y HA -0.079 4.471 4.550 -0.000 0.000 0.282 99 Y C 2.187 177.771 175.900 -0.526 0.000 1.152 99 Y CA 2.021 59.943 58.100 -0.296 0.000 1.136 99 Y CB -1.082 37.153 38.460 -0.374 0.000 0.975 99 Y HN 0.292 nan 8.280 nan 0.000 0.498 100 G N -0.170 108.215 108.800 -0.692 0.000 2.442 100 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.219 100 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.219 100 G C 1.647 175.710 174.900 -1.396 0.000 1.141 100 G CA 1.015 45.037 45.100 -1.796 0.000 0.763 100 G HN 0.584 nan 8.290 nan 0.000 0.554 101 N N -0.005 118.290 118.700 -0.675 0.000 2.058 101 N HA -0.035 4.705 4.740 -0.000 0.000 0.191 101 N C 2.076 177.258 175.510 -0.548 0.000 1.037 101 N CA 0.803 53.567 53.050 -0.476 0.000 0.848 101 N CB -0.161 37.708 38.487 -1.029 0.000 1.021 101 N HN 0.329 nan 8.380 nan 0.000 0.422 102 L N -0.733 120.112 121.223 -0.630 0.000 2.558 102 L HA 0.076 4.416 4.340 -0.000 0.000 0.225 102 L C 1.548 178.150 176.870 -0.448 0.000 1.128 102 L CA 0.437 54.967 54.840 -0.516 0.000 0.868 102 L CB 0.303 42.042 42.059 -0.534 0.000 1.006 102 L HN 0.201 nan 8.230 nan 0.000 0.454 103 T N -1.627 112.574 114.554 -0.590 0.000 3.075 103 T HA 0.213 4.563 4.350 -0.000 0.000 0.251 103 T C 1.286 175.704 174.700 -0.471 0.000 0.979 103 T CA 0.785 62.520 62.100 -0.609 0.000 1.033 103 T CB 0.760 68.941 68.868 -1.145 0.000 1.104 103 T HN 0.391 nan 8.240 nan 0.000 0.473 104 G N 2.363 110.837 108.800 -0.543 0.000 2.176 104 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 104 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 104 G C 0.036 174.714 174.900 -0.370 0.000 0.979 104 G CA 0.242 45.148 45.100 -0.325 0.000 0.641 104 G HN 0.624 nan 8.290 nan 0.000 0.530 105 N N -0.613 117.748 118.700 -0.565 0.000 2.422 105 N HA 0.422 5.162 4.740 -0.000 0.000 0.266 105 N C 0.542 175.819 175.510 -0.389 0.000 1.007 105 N CA -0.804 52.060 53.050 -0.309 0.000 0.941 105 N CB 0.443 38.834 38.487 -0.161 0.000 1.115 105 N HN 0.297 nan 8.380 nan 0.000 0.492 106 W N 1.607 122.953 121.300 0.077 0.000 3.008 106 W HA 0.109 4.769 4.660 -0.000 0.000 0.355 106 W C 2.278 178.886 176.519 0.148 0.000 1.095 106 W CA -0.378 57.038 57.345 0.119 0.000 1.738 106 W CB 0.375 29.887 29.460 0.087 0.000 1.091 106 W HN 0.621 nan 8.180 nan 0.000 0.574 107 S N -0.301 115.581 115.700 0.303 0.000 2.400 107 S HA -0.170 4.300 4.470 -0.000 0.000 0.232 107 S C 2.088 176.845 174.600 0.262 0.000 1.025 107 S CA 1.583 59.931 58.200 0.248 0.000 0.993 107 S CB -1.093 62.221 63.200 0.190 0.000 0.808 107 S HN 0.261 nan 8.310 nan 0.000 0.478 108 G N 1.256 110.234 108.800 0.297 0.000 2.442 108 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 108 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 108 G C 1.414 176.483 174.900 0.282 0.000 1.141 108 G CA 1.040 46.324 45.100 0.306 0.000 0.763 108 G HN 0.508 nan 8.290 nan 0.000 0.554 109 V N 0.657 120.779 119.914 0.348 0.000 2.307 109 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 109 V C 2.664 178.934 176.094 0.293 0.000 1.045 109 V CA 2.138 64.648 62.300 0.350 0.000 1.024 109 V CB -0.510 31.585 31.823 0.454 0.000 0.651 109 V HN 0.473 nan 8.190 nan 0.000 0.449 110 E N -0.049 120.305 120.200 0.257 0.000 2.118 110 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 110 E C 2.269 179.009 176.600 0.233 0.000 0.992 110 E CA 1.859 58.390 56.400 0.218 0.000 0.804 110 E CB -0.300 29.501 29.700 0.168 0.000 0.741 110 E HN 0.579 nan 8.360 nan 0.000 0.458 111 T N 0.830 115.510 114.554 0.210 0.000 2.737 111 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 111 T C 2.022 176.838 174.700 0.194 0.000 1.038 111 T CA 1.194 63.414 62.100 0.199 0.000 1.144 111 T CB -0.202 68.782 68.868 0.194 0.000 0.866 111 T HN 0.253 nan 8.240 nan 0.000 0.434 112 A N 0.936 123.793 122.820 0.062 0.000 1.902 112 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 112 A C 2.170 179.826 177.584 0.120 0.000 1.181 112 A CA 1.083 52.994 52.037 -0.210 0.000 0.623 112 A CB -0.944 17.607 19.000 -0.749 0.000 0.818 112 A HN 0.685 nan 8.150 nan 0.000 0.443 113 W N 0.830 122.169 121.300 0.065 0.000 2.436 113 W HA -0.100 4.560 4.660 -0.000 0.000 0.284 113 W C 2.084 178.662 176.519 0.099 0.000 1.225 113 W CA 1.843 59.245 57.345 0.094 0.000 1.271 113 W CB -0.145 29.372 29.460 0.094 0.000 1.114 113 W HN 0.445 nan 8.180 nan 0.000 0.559 114 K N 0.189 120.783 120.400 0.322 0.000 2.097 114 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 114 K C 1.802 178.513 176.600 0.185 0.000 1.050 114 K CA 1.727 58.153 56.287 0.231 0.000 0.938 114 K CB -0.329 32.291 32.500 0.200 0.000 0.718 114 K HN -0.077 nan 8.250 nan 0.000 0.442 115 V N 1.702 121.780 119.914 0.275 0.000 2.307 115 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 115 V C 2.425 178.691 176.094 0.288 0.000 1.045 115 V CA 2.042 64.601 62.300 0.431 0.000 1.024 115 V CB -0.490 31.700 31.823 0.611 0.000 0.651 115 V HN 0.491 nan 8.190 nan 0.000 0.449 116 M N -0.018 119.594 119.600 0.021 0.000 2.073 116 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 116 M C 2.265 178.298 176.300 -0.445 0.000 1.070 116 M CA 2.215 57.138 55.300 -0.627 0.000 1.103 116 M CB -0.328 31.802 32.600 -0.784 0.000 1.321 116 M HN 0.367 nan 8.290 nan 0.000 0.405 117 E N -0.076 119.970 120.200 -0.257 0.000 2.110 117 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 117 E C 1.507 178.007 176.600 -0.167 0.000 0.988 117 E CA 1.344 57.654 56.400 -0.151 0.000 0.804 117 E CB -0.128 29.613 29.700 0.067 0.000 0.745 117 E HN 0.603 nan 8.360 nan 0.000 0.458 118 D N -1.244 119.047 120.400 -0.182 0.000 2.269 118 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 118 D C 1.141 176.996 176.300 -0.741 0.000 0.963 118 D CA 0.857 54.584 54.000 -0.454 0.000 0.864 118 D CB 0.023 40.526 40.800 -0.495 0.000 0.936 118 D HN 0.297 nan 8.370 nan 0.000 0.505 119 W N -0.650 120.593 121.300 -0.095 0.000 3.772 119 W HA 0.377 5.037 4.660 -0.000 0.000 0.224 119 W C 1.890 178.346 176.519 -0.106 0.000 1.009 119 W CA -0.369 56.915 57.345 -0.102 0.000 1.889 119 W CB 0.109 29.561 29.460 -0.013 0.000 0.909 119 W HN -0.281 nan 8.180 nan 0.000 0.794 120 I N 0.412 120.980 120.570 -0.004 0.000 3.783 120 I HA 0.217 4.387 4.170 -0.000 0.000 0.310 120 I C -0.027 176.094 176.117 0.007 0.000 1.274 120 I CA 0.266 61.613 61.300 0.078 0.000 1.294 120 I CB 0.431 38.317 38.000 -0.190 0.000 1.051 120 I HN -0.272 nan 8.210 nan 0.000 0.435 121 I N 3.258 123.721 120.570 -0.179 0.000 2.304 121 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 121 I C -2.215 173.774 176.117 -0.214 0.000 1.018 121 I CA -1.977 59.149 61.300 -0.291 0.000 1.260 121 I CB 0.731 38.431 38.000 -0.501 0.000 1.390 121 I HN -0.114 nan 8.210 nan 0.000 0.475 122 P HA 0.033 nan 4.420 nan 0.000 0.267 122 P C -1.070 176.092 177.300 -0.230 0.000 1.205 122 P CA -0.179 62.680 63.100 -0.402 0.000 0.765 122 P CB 0.349 31.428 31.700 -1.035 0.000 0.828 123 D N 0.298 120.607 120.400 -0.152 0.000 2.506 123 D HA 0.124 4.764 4.640 -0.000 0.000 0.272 123 D C 0.908 177.140 176.300 -0.113 0.000 1.214 123 D CA -0.586 53.350 54.000 -0.107 0.000 1.067 123 D CB -0.310 40.437 40.800 -0.089 0.000 1.117 123 D HN 0.121 nan 8.370 nan 0.000 0.578 124 S N -1.061 114.592 115.700 -0.077 0.000 2.380 124 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 124 S C 1.853 176.384 174.600 -0.115 0.000 1.043 124 S CA 1.828 59.983 58.200 -0.074 0.000 1.038 124 S CB -0.978 62.197 63.200 -0.041 0.000 0.872 124 S HN 0.671 nan 8.310 nan 0.000 0.456 125 T N 1.738 116.224 114.554 -0.113 0.000 2.995 125 T HA 0.003 4.353 4.350 -0.000 0.000 0.269 125 T C 1.283 175.872 174.700 -0.185 0.000 1.091 125 T CA 0.950 62.977 62.100 -0.121 0.000 1.128 125 T CB -0.183 68.633 68.868 -0.087 0.000 0.891 125 T HN 0.559 nan 8.240 nan 0.000 0.492 126 E N 0.486 120.554 120.200 -0.221 0.000 2.476 126 E HA 0.131 4.481 4.350 -0.000 0.000 0.196 126 E C 0.523 176.746 176.600 -0.629 0.000 1.029 126 E CA 0.062 56.298 56.400 -0.274 0.000 0.896 126 E CB 0.412 30.054 29.700 -0.097 0.000 1.012 126 E HN 0.431 nan 8.360 nan 0.000 0.475 127 Q N 1.413 120.785 119.800 -0.713 0.000 2.470 127 Q HA 0.175 4.515 4.340 -0.000 0.000 0.389 127 Q C -2.509 173.087 176.000 -0.674 0.000 0.888 127 Q CA -1.582 53.510 55.803 -1.185 0.000 1.106 127 Q CB 1.030 29.529 28.738 -0.399 0.000 1.368 127 Q HN 0.078 nan 8.270 nan 0.000 0.403 128 P HA 0.051 nan 4.420 nan 0.000 0.271 128 P C 0.793 178.186 177.300 0.156 0.000 1.220 128 P CA 0.956 63.976 63.100 -0.134 0.000 0.768 128 P CB 1.252 32.873 31.700 -0.131 0.000 0.848 129 G N 2.992 111.878 108.800 0.143 0.000 2.176 129 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.232 129 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.232 129 G C 1.003 176.053 174.900 0.249 0.000 0.986 129 G CA 0.098 45.303 45.100 0.175 0.000 0.643 129 G HN 0.364 nan 8.290 nan 0.000 0.522 130 M N 1.949 121.733 119.600 0.308 0.000 2.267 130 M HA -0.059 4.420 4.480 -0.000 0.000 0.263 130 M C 2.657 179.131 176.300 0.290 0.000 1.063 130 M CA 2.205 57.705 55.300 0.333 0.000 1.090 130 M CB -1.078 31.715 32.600 0.321 0.000 1.392 130 M HN 0.777 nan 8.290 nan 0.000 0.422 131 S N -1.977 113.860 115.700 0.228 0.000 2.561 131 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 131 S C 1.742 176.465 174.600 0.204 0.000 0.977 131 S CA 0.713 59.042 58.200 0.216 0.000 0.926 131 S CB -0.299 62.993 63.200 0.154 0.000 0.769 131 S HN 0.326 nan 8.310 nan 0.000 0.533 132 S N 0.533 116.359 115.700 0.210 0.000 2.562 132 S HA 0.200 4.670 4.470 -0.000 0.000 0.221 132 S C 0.260 174.982 174.600 0.202 0.000 0.975 132 S CA -0.469 57.845 58.200 0.190 0.000 0.918 132 S CB -0.430 62.892 63.200 0.203 0.000 0.772 132 S HN 0.731 nan 8.310 nan 0.000 0.531 133 Y N 3.487 123.845 120.300 0.097 0.000 2.702 133 Y HA 0.176 4.726 4.550 -0.000 0.000 0.336 133 Y C 0.154 176.029 175.900 -0.042 0.000 1.235 133 Y CA -0.214 57.901 58.100 0.024 0.000 1.492 133 Y CB 0.267 38.671 38.460 -0.094 0.000 1.308 133 Y HN -0.014 nan 8.280 nan 0.000 0.589 134 N N 7.419 125.619 118.700 -0.832 0.000 2.573 134 N HA 0.344 5.084 4.740 -0.000 0.000 0.262 134 N C -2.491 172.505 175.510 -0.857 0.000 1.029 134 N CA -2.583 50.105 53.050 -0.602 0.000 0.882 134 N CB 1.747 40.072 38.487 -0.271 0.000 1.204 134 N HN 0.296 nan 8.380 nan 0.000 0.519 135 P HA -0.005 nan 4.420 nan 0.000 0.222 135 P C 0.438 177.509 177.300 -0.381 0.000 1.147 135 P CA 0.914 63.724 63.100 -0.483 0.000 0.790 135 P CB 0.413 31.999 31.700 -0.190 0.000 0.780 136 N N -1.452 117.079 118.700 -0.282 0.000 2.461 136 N HA 0.021 4.761 4.740 -0.000 0.000 0.188 136 N C 0.224 175.632 175.510 -0.170 0.000 1.134 136 N CA 0.681 53.611 53.050 -0.199 0.000 0.878 136 N CB -0.003 38.405 38.487 -0.132 0.000 0.972 136 N HN -0.041 nan 8.380 nan 0.000 0.456 137 S N 0.387 115.958 115.700 -0.214 0.000 2.605 137 S HA 0.243 4.713 4.470 -0.000 0.000 0.142 137 S C -2.119 172.415 174.600 -0.110 0.000 1.452 137 S CA -0.928 57.202 58.200 -0.117 0.000 1.240 137 S CB 0.566 63.725 63.200 -0.069 0.000 1.538 137 S HN -0.049 nan 8.310 nan 0.000 0.394 138 P HA 0.218 nan 4.420 nan 0.000 0.221 138 P C 0.374 177.908 177.300 0.391 0.000 1.150 138 P CA 0.762 63.911 63.100 0.082 0.000 0.800 138 P CB 0.192 32.020 31.700 0.213 0.000 0.787 139 A N -2.209 120.811 122.820 0.333 0.000 2.515 139 A HA 0.554 4.874 4.320 -0.000 0.000 0.292 139 A C -1.229 176.446 177.584 0.152 0.000 1.065 139 A CA -0.469 51.768 52.037 0.333 0.000 0.641 139 A CB 0.264 19.561 19.000 0.495 0.000 1.306 139 A HN -0.135 nan 8.150 nan 0.000 0.441 140 T N 1.033 115.562 114.554 -0.041 0.000 2.794 140 T HA 0.506 4.856 4.350 -0.000 0.000 0.280 140 T C -0.487 173.960 174.700 -0.421 0.000 0.987 140 T CA 0.060 61.989 62.100 -0.285 0.000 0.993 140 T CB 0.589 69.058 68.868 -0.664 0.000 0.939 140 T HN 0.604 nan 8.240 nan 0.000 0.449 141 Y N 2.793 122.698 120.300 -0.659 0.000 2.702 141 Y HA 0.354 4.903 4.550 -0.000 0.000 0.336 141 Y C 0.032 175.602 175.900 -0.551 0.000 1.235 141 Y CA -0.158 57.370 58.100 -0.953 0.000 1.492 141 Y CB 0.095 38.170 38.460 -0.642 0.000 1.308 141 Y HN 0.780 nan 8.280 nan 0.000 0.589 142 A N 5.245 127.159 122.820 -1.509 0.000 2.549 142 A HA 0.412 4.732 4.320 -0.000 0.000 0.297 142 A C -1.353 175.535 177.584 -1.160 0.000 1.061 142 A CA -1.036 50.407 52.037 -0.990 0.000 0.690 142 A CB 0.955 19.708 19.000 -0.411 0.000 1.287 142 A HN 0.681 nan 8.150 nan 0.000 0.402 143 D N 1.528 121.519 120.400 -0.682 0.000 2.399 143 D HA 0.282 4.922 4.640 -0.000 0.000 0.241 143 D C 0.066 175.978 176.300 -0.646 0.000 1.133 143 D CA 0.575 54.214 54.000 -0.602 0.000 0.890 143 D CB 0.866 41.190 40.800 -0.794 0.000 1.201 143 D HN 0.536 nan 8.370 nan 0.000 0.432 144 E N 0.634 120.510 120.200 -0.540 0.000 2.283 144 E HA 0.376 4.726 4.350 -0.000 0.000 0.271 144 E C -0.713 175.441 176.600 -0.744 0.000 1.031 144 E CA -0.492 55.681 56.400 -0.378 0.000 0.868 144 E CB 1.108 30.719 29.700 -0.147 0.000 1.094 144 E HN 0.353 nan 8.360 nan 0.000 0.401 145 Y N 0.016 120.204 120.300 -0.187 0.000 2.602 145 Y HA 0.148 4.698 4.550 -0.000 0.000 0.342 145 Y C 0.751 176.536 175.900 -0.191 0.000 1.029 145 Y CA -0.785 57.064 58.100 -0.419 0.000 1.080 145 Y CB 1.385 39.351 38.460 -0.824 0.000 1.284 145 Y HN 0.465 nan 8.280 nan 0.000 0.485 146 E N 0.301 120.435 120.200 -0.111 0.000 2.427 146 E HA -0.011 4.338 4.350 -0.000 0.000 0.196 146 E C -0.811 175.882 176.600 0.156 0.000 1.028 146 E CA 0.718 57.126 56.400 0.014 0.000 0.864 146 E CB 0.262 29.981 29.700 0.032 0.000 0.813 146 E HN 0.472 nan 8.360 nan 0.000 0.514 147 D N -2.636 117.949 120.400 0.307 0.000 2.837 147 D HA 0.165 4.805 4.640 -0.000 0.000 0.220 147 D C -2.330 174.182 176.300 0.354 0.000 1.236 147 D CA -1.877 52.300 54.000 0.296 0.000 0.838 147 D CB 1.635 42.590 40.800 0.260 0.000 1.647 147 D HN -0.347 nan 8.370 nan 0.000 0.486 148 P HA -0.122 nan 4.420 nan 0.000 0.219 148 P C 1.036 178.327 177.300 -0.015 0.000 1.146 148 P CA 1.076 64.289 63.100 0.188 0.000 0.808 148 P CB 0.109 31.884 31.700 0.125 0.000 0.779 149 S N -2.610 112.838 115.700 -0.420 0.000 2.500 149 S HA -0.170 4.300 4.470 -0.000 0.000 0.239 149 S C 1.617 175.930 174.600 -0.479 0.000 0.989 149 S CA 0.757 58.288 58.200 -1.116 0.000 0.951 149 S CB -1.486 61.229 63.200 -0.808 0.000 0.759 149 S HN 0.168 nan 8.310 nan 0.000 0.523 150 Y N 0.361 120.517 120.300 -0.239 0.000 2.516 150 Y HA 0.275 4.825 4.550 -0.000 0.000 0.291 150 Y C 0.521 176.204 175.900 -0.361 0.000 1.131 150 Y CA -0.095 57.758 58.100 -0.411 0.000 1.281 150 Y CB -0.190 37.806 38.460 -0.774 0.000 1.013 150 Y HN 0.257 nan 8.280 nan 0.000 0.554 151 Y N 1.593 121.931 120.300 0.063 0.000 2.320 151 Y HA 0.273 4.823 4.550 -0.000 0.000 0.324 151 Y C -1.862 174.124 175.900 0.143 0.000 1.190 151 Y CA -3.317 54.871 58.100 0.147 0.000 1.215 151 Y CB 0.116 38.712 38.460 0.225 0.000 1.221 151 Y HN -0.148 nan 8.280 nan 0.000 0.486 152 P HA 0.005 nan 4.420 nan 0.000 0.271 152 P C -0.619 176.772 177.300 0.151 0.000 1.218 152 P CA -0.269 62.991 63.100 0.268 0.000 0.780 152 P CB 1.267 33.074 31.700 0.178 0.000 0.901 153 S N 0.837 116.647 115.700 0.183 0.000 2.475 153 S HA 0.124 4.594 4.470 -0.000 0.000 0.281 153 S C -0.079 174.577 174.600 0.093 0.000 1.198 153 S CA -0.616 57.652 58.200 0.113 0.000 1.063 153 S CB -0.035 63.211 63.200 0.076 0.000 0.972 153 S HN 0.464 nan 8.310 nan 0.000 0.486 154 E N 4.891 125.136 120.200 0.076 0.000 2.290 154 E HA 0.186 4.536 4.350 -0.000 0.000 0.277 154 E C -0.485 176.083 176.600 -0.053 0.000 1.035 154 E CA -0.408 56.018 56.400 0.042 0.000 0.873 154 E CB 0.442 30.179 29.700 0.063 0.000 1.029 154 E HN 0.640 nan 8.360 nan 0.000 0.419 155 L N 4.963 126.118 121.223 -0.113 0.000 2.499 155 L HA 0.025 4.365 4.340 -0.000 0.000 0.273 155 L C 0.365 177.063 176.870 -0.285 0.000 1.195 155 L CA 0.660 55.302 54.840 -0.330 0.000 0.882 155 L CB 0.269 41.988 42.059 -0.567 0.000 1.133 155 L HN 0.507 nan 8.230 nan 0.000 0.483 156 K N 4.053 124.276 120.400 -0.295 0.000 2.423 156 K HA 0.205 4.525 4.320 -0.000 0.000 0.234 156 K C 0.304 176.818 176.600 -0.143 0.000 1.051 156 K CA -0.225 55.998 56.287 -0.106 0.000 1.021 156 K CB 0.546 33.074 32.500 0.046 0.000 1.474 156 K HN 0.370 nan 8.250 nan 0.000 0.474 157 F N 0.666 120.588 119.950 -0.046 0.000 2.186 157 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 157 F C 1.398 177.168 175.800 -0.050 0.000 1.090 157 F CA 1.242 59.204 58.000 -0.062 0.000 1.307 157 F CB 0.386 39.338 39.000 -0.080 0.000 1.019 157 F HN 0.427 nan 8.300 nan 0.000 0.489 158 D N -2.203 118.282 120.400 0.142 0.000 2.433 158 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 158 D C 1.898 178.209 176.300 0.019 0.000 1.114 158 D CA 0.714 54.754 54.000 0.068 0.000 0.837 158 D CB 0.262 41.094 40.800 0.053 0.000 0.984 158 D HN 0.190 nan 8.370 nan 0.000 0.505 159 T N -0.997 113.560 114.554 0.005 0.000 2.975 159 T HA 0.192 4.542 4.350 -0.000 0.000 0.257 159 T C 0.037 174.695 174.700 -0.069 0.000 1.003 159 T CA 0.112 62.198 62.100 -0.023 0.000 0.932 159 T CB 0.482 69.345 68.868 -0.008 0.000 1.087 159 T HN -0.205 nan 8.240 nan 0.000 0.512 160 V N 2.457 122.320 119.914 -0.086 0.000 2.419 160 V HA 0.511 4.631 4.120 -0.000 0.000 0.287 160 V C -0.215 175.801 176.094 -0.131 0.000 1.017 160 V CA -1.147 61.052 62.300 -0.169 0.000 0.844 160 V CB 1.262 32.920 31.823 -0.274 0.000 1.011 160 V HN 0.314 nan 8.190 nan 0.000 0.429 161 R N 3.241 123.668 120.500 -0.122 0.000 2.390 161 R HA 0.642 4.981 4.340 -0.000 0.000 0.291 161 R C -0.895 175.353 176.300 -0.087 0.000 1.070 161 R CA -0.151 55.899 56.100 -0.083 0.000 1.014 161 R CB 1.369 31.628 30.300 -0.069 0.000 1.007 161 R HN 0.508 nan 8.270 nan 0.000 0.466 162 V N 3.609 123.508 119.914 -0.026 0.000 2.732 162 V HA 0.453 4.573 4.120 -0.000 0.000 0.310 162 V C 0.961 177.098 176.094 0.071 0.000 1.053 162 V CA -0.279 62.054 62.300 0.055 0.000 0.957 162 V CB 1.801 33.703 31.823 0.133 0.000 1.018 162 V HN 1.044 nan 8.190 nan 0.000 0.452 163 G N 2.499 111.385 108.800 0.143 0.000 2.570 163 G HA2 0.400 4.360 3.960 -0.000 0.000 0.276 163 G HA3 0.400 4.360 3.960 -0.000 0.000 0.276 163 G C -0.155 174.740 174.900 -0.010 0.000 1.346 163 G CA -0.265 44.895 45.100 0.101 0.000 1.034 163 G HN 0.710 nan 8.290 nan 0.000 0.512 164 S N -0.673 114.947 115.700 -0.134 0.000 2.578 164 S HA 0.411 4.881 4.470 -0.000 0.000 0.301 164 S C -0.917 173.246 174.600 -0.729 0.000 1.091 164 S CA -0.566 57.418 58.200 -0.360 0.000 1.032 164 S CB 1.883 64.951 63.200 -0.220 0.000 1.064 164 S HN 0.631 nan 8.310 nan 0.000 0.508 165 D N 1.895 121.746 120.400 -0.916 0.000 2.373 165 D HA 0.351 4.991 4.640 -0.000 0.000 0.227 165 D C -1.869 174.086 176.300 -0.575 0.000 1.091 165 D CA -2.155 51.166 54.000 -1.133 0.000 0.840 165 D CB 1.364 41.580 40.800 -0.975 0.000 1.060 165 D HN 0.130 nan 8.370 nan 0.000 0.502 166 P HA 0.086 nan 4.420 nan 0.000 0.261 166 P C 0.785 177.916 177.300 -0.282 0.000 1.268 166 P CA -0.024 62.831 63.100 -0.408 0.000 0.833 166 P CB 1.011 32.367 31.700 -0.573 0.000 1.231 167 V N -1.536 118.202 119.914 -0.294 0.000 3.572 167 V HA 0.009 4.129 4.120 -0.000 0.000 0.260 167 V C 2.315 178.384 176.094 -0.042 0.000 1.324 167 V CA 0.512 62.743 62.300 -0.114 0.000 1.068 167 V CB -0.556 31.206 31.823 -0.101 0.000 0.837 167 V HN 0.079 nan 8.190 nan 0.000 0.450 168 H N 1.409 120.415 119.070 -0.106 0.000 2.290 168 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 168 H C 2.176 177.510 175.328 0.010 0.000 1.087 168 H CA 2.534 58.570 56.048 -0.019 0.000 1.291 168 H CB 0.200 30.017 29.762 0.093 0.000 1.369 168 H HN 0.345 nan 8.280 nan 0.000 0.492 169 N N 0.202 118.955 118.700 0.090 0.000 2.244 169 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 169 N C 1.569 177.054 175.510 -0.042 0.000 1.016 169 N CA 1.340 54.410 53.050 0.034 0.000 0.866 169 N CB -0.509 38.016 38.487 0.062 0.000 0.980 169 N HN 0.528 nan 8.380 nan 0.000 0.430 170 D N 0.528 120.904 120.400 -0.040 0.000 2.123 170 D HA -0.070 4.570 4.640 -0.000 0.000 0.196 170 D C 1.986 178.214 176.300 -0.121 0.000 0.992 170 D CA 0.800 54.767 54.000 -0.056 0.000 0.833 170 D CB -0.028 40.767 40.800 -0.008 0.000 0.954 170 D HN 0.169 nan 8.370 nan 0.000 0.455 171 L N -0.575 120.555 121.223 -0.155 0.000 2.044 171 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 171 L C 2.633 179.438 176.870 -0.110 0.000 1.075 171 L CA 0.489 55.218 54.840 -0.185 0.000 0.747 171 L CB -0.469 41.387 42.059 -0.338 0.000 0.903 171 L HN -0.008 nan 8.230 nan 0.000 0.435 172 V N 0.120 119.934 119.914 -0.167 0.000 2.324 172 V HA -0.317 3.802 4.120 -0.000 0.000 0.250 172 V C 2.672 178.728 176.094 -0.063 0.000 1.060 172 V CA 2.249 64.498 62.300 -0.085 0.000 1.042 172 V CB -0.772 30.998 31.823 -0.089 0.000 0.650 172 V HN 0.670 nan 8.190 nan 0.000 0.450 173 S N 0.233 115.875 115.700 -0.098 0.000 2.489 173 S HA 0.059 4.529 4.470 -0.000 0.000 0.228 173 S C 1.913 176.403 174.600 -0.183 0.000 0.995 173 S CA 0.948 59.086 58.200 -0.103 0.000 0.934 173 S CB -0.113 63.038 63.200 -0.081 0.000 0.771 173 S HN 0.556 nan 8.310 nan 0.000 0.522 174 A N 0.500 123.126 122.820 -0.322 0.000 1.903 174 A HA 0.292 4.612 4.320 -0.000 0.000 0.213 174 A C 1.373 178.589 177.584 -0.612 0.000 1.185 174 A CA 0.684 52.344 52.037 -0.627 0.000 0.628 174 A CB -0.414 17.928 19.000 -1.096 0.000 0.830 174 A HN 0.649 nan 8.150 nan 0.000 0.446 175 Y N -1.476 118.804 120.300 -0.032 0.000 2.610 175 Y HA 0.457 5.007 4.550 -0.000 0.000 0.254 175 Y C 1.231 177.159 175.900 0.047 0.000 1.110 175 Y CA -0.335 57.782 58.100 0.027 0.000 1.238 175 Y CB 0.080 38.622 38.460 0.137 0.000 1.322 175 Y HN 0.545 nan 8.280 nan 0.000 0.547 176 G N 1.767 110.648 108.800 0.135 0.000 2.698 176 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.225 176 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.225 176 G C -1.956 173.017 174.900 0.121 0.000 1.345 176 G CA -0.362 44.802 45.100 0.106 0.000 0.871 176 G HN 0.026 nan 8.290 nan 0.000 0.540 177 P HA 0.042 nan 4.420 nan 0.000 0.225 177 P C 0.484 177.862 177.300 0.130 0.000 1.156 177 P CA 0.807 63.988 63.100 0.135 0.000 0.787 177 P CB 0.024 31.807 31.700 0.139 0.000 0.802 178 N N 0.038 118.789 118.700 0.085 0.000 2.458 178 N HA 0.297 5.037 4.740 -0.000 0.000 0.271 178 N C -0.039 175.374 175.510 -0.162 0.000 1.210 178 N CA -0.560 52.497 53.050 0.011 0.000 0.978 178 N CB 0.358 38.839 38.487 -0.010 0.000 1.206 178 N HN -0.088 nan 8.380 nan 0.000 0.536 179 M N 0.883 120.274 119.600 -0.348 0.000 2.233 179 M HA 0.187 4.667 4.480 -0.000 0.000 0.355 179 M C -1.263 174.508 176.300 -0.882 0.000 1.191 179 M CA -0.300 54.484 55.300 -0.861 0.000 1.101 179 M CB 0.495 32.375 32.600 -1.201 0.000 1.592 179 M HN 0.454 nan 8.290 nan 0.000 0.461 180 Y N 6.013 125.310 120.300 -1.673 0.000 2.919 180 Y HA 0.663 5.213 4.550 -0.000 0.000 0.341 180 Y C -1.798 173.774 175.900 -0.545 0.000 1.045 180 Y CA -0.398 57.157 58.100 -0.908 0.000 1.218 180 Y CB 0.339 38.364 38.460 -0.725 0.000 1.137 180 Y HN 0.614 nan 8.280 nan 0.000 0.577 181 L N 3.698 124.616 121.223 -0.509 0.000 2.568 181 L HA 0.500 4.840 4.340 -0.000 0.000 0.257 181 L C -0.890 175.879 176.870 -0.168 0.000 1.024 181 L CA -1.208 53.478 54.840 -0.256 0.000 0.854 181 L CB 2.637 44.597 42.059 -0.164 0.000 1.460 181 L HN 0.323 nan 8.230 nan 0.000 0.409 182 M N 1.002 120.552 119.600 -0.084 0.000 2.146 182 M HA 0.269 4.749 4.480 -0.000 0.000 0.357 182 M C -0.369 176.008 176.300 0.128 0.000 1.261 182 M CA -0.505 54.761 55.300 -0.056 0.000 1.106 182 M CB 0.900 33.442 32.600 -0.096 0.000 1.612 182 M HN 0.417 nan 8.290 nan 0.000 0.470 183 H N 3.693 122.756 119.070 -0.011 0.000 2.790 183 H HA -0.047 4.509 4.556 -0.000 0.000 0.358 183 H C 0.506 175.965 175.328 0.217 0.000 1.103 183 H CA 0.456 56.545 56.048 0.068 0.000 1.426 183 H CB 0.669 30.308 29.762 -0.205 0.000 1.424 183 H HN 0.742 nan 8.280 nan 0.000 0.599 184 W N 5.190 126.171 121.300 -0.532 0.000 2.658 184 W HA 0.141 4.801 4.660 -0.000 0.000 0.263 184 W C -1.207 175.252 176.519 -0.100 0.000 1.274 184 W CA -0.154 57.059 57.345 -0.219 0.000 1.343 184 W CB -0.062 29.298 29.460 -0.167 0.000 1.106 184 W HN 0.355 nan 8.180 nan 0.000 0.615 185 L N 1.722 122.390 121.223 -0.925 0.000 2.438 185 L HA 0.565 4.905 4.340 -0.000 0.000 0.270 185 L C -1.036 175.752 176.870 -0.137 0.000 0.972 185 L CA -1.103 53.211 54.840 -0.876 0.000 0.831 185 L CB 2.087 43.137 42.059 -1.682 0.000 1.273 185 L HN -0.016 nan 8.230 nan 0.000 0.405 186 M N 3.309 122.886 119.600 -0.039 0.000 2.393 186 M HA 0.368 4.848 4.480 -0.000 0.000 0.299 186 M C -1.427 174.908 176.300 0.058 0.000 1.103 186 M CA -0.632 54.716 55.300 0.081 0.000 0.910 186 M CB 1.921 34.580 32.600 0.098 0.000 1.659 186 M HN 0.634 nan 8.290 nan 0.000 0.445 187 D N 3.891 124.352 120.400 0.100 0.000 2.483 187 D HA 0.170 4.810 4.640 -0.000 0.000 0.220 187 D C 0.891 177.253 176.300 0.104 0.000 1.173 187 D CA -0.042 54.056 54.000 0.163 0.000 0.964 187 D CB 0.618 41.562 40.800 0.241 0.000 1.046 187 D HN 0.443 nan 8.370 nan 0.000 0.517 188 V N 2.778 122.749 119.914 0.095 0.000 2.324 188 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 188 V C 1.251 177.347 176.094 0.003 0.000 1.060 188 V CA 1.674 63.974 62.300 0.000 0.000 1.042 188 V CB -0.124 31.707 31.823 0.014 0.000 0.650 188 V HN 0.522 nan 8.190 nan 0.000 0.450 189 D N -1.000 119.466 120.400 0.110 0.000 2.462 189 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 189 D C 0.555 176.907 176.300 0.087 0.000 1.173 189 D CA 0.009 54.064 54.000 0.092 0.000 0.831 189 D CB -0.055 40.832 40.800 0.144 0.000 1.001 189 D HN 0.446 nan 8.370 nan 0.000 0.499 190 N N 0.081 118.833 118.700 0.087 0.000 2.758 190 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 190 N C 0.519 176.022 175.510 -0.012 0.000 1.076 190 N CA 0.326 53.405 53.050 0.048 0.000 0.696 190 N CB -1.581 36.919 38.487 0.021 0.000 0.979 190 N HN 0.375 nan 8.380 nan 0.000 0.550 191 W N 0.003 121.168 121.300 -0.225 0.000 2.325 191 W HA -0.139 4.520 4.660 -0.000 0.000 0.299 191 W C 1.388 177.539 176.519 -0.614 0.000 1.215 191 W CA 1.734 58.794 57.345 -0.476 0.000 1.244 191 W CB -0.568 28.396 29.460 -0.827 0.000 1.140 191 W HN 0.474 nan 8.180 nan 0.000 0.523 192 Y N -0.165 119.836 120.300 -0.497 0.000 2.519 192 Y HA 0.172 4.722 4.550 -0.000 0.000 0.287 192 Y C 2.327 177.633 175.900 -0.988 0.000 1.128 192 Y CA 1.403 58.989 58.100 -0.856 0.000 1.282 192 Y CB -0.472 37.539 38.460 -0.749 0.000 1.027 192 Y HN 0.082 nan 8.280 nan 0.000 0.551 193 G N -1.087 107.393 108.800 -0.533 0.000 2.143 193 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.248 193 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.248 193 G C 0.715 175.324 174.900 -0.485 0.000 0.991 193 G CA 0.446 45.262 45.100 -0.474 0.000 0.689 193 G HN 0.338 nan 8.290 nan 0.000 0.522 194 F N 1.138 120.982 119.950 -0.176 0.000 2.259 194 F HA 0.265 4.792 4.527 -0.000 0.000 0.298 194 F C 2.328 178.203 175.800 0.124 0.000 1.088 194 F CA 0.844 58.802 58.000 -0.070 0.000 1.358 194 F CB -0.648 38.358 39.000 0.009 0.000 1.040 194 F HN 0.366 nan 8.300 nan 0.000 0.505 195 G N -0.810 108.130 108.800 0.233 0.000 2.525 195 G HA2 0.375 4.335 3.960 -0.000 0.000 0.287 195 G HA3 0.375 4.335 3.960 -0.000 0.000 0.287 195 G C -0.515 174.472 174.900 0.145 0.000 1.350 195 G CA -0.407 44.805 45.100 0.187 0.000 1.039 195 G HN -0.019 nan 8.290 nan 0.000 0.513 196 T N -0.264 114.362 114.554 0.120 0.000 2.882 196 T HA 0.489 4.839 4.350 -0.000 0.000 0.287 196 T C 1.332 176.069 174.700 0.062 0.000 0.992 196 T CA 0.992 63.148 62.100 0.093 0.000 1.076 196 T CB 0.881 69.801 68.868 0.087 0.000 0.961 196 T HN 1.510 nan 8.240 nan 0.000 0.490 197 G N 3.222 112.049 108.800 0.045 0.000 2.774 197 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.342 197 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.342 197 G C 0.877 175.788 174.900 0.018 0.000 1.185 197 G CA 1.079 46.197 45.100 0.029 0.000 0.956 197 G HN 0.767 nan 8.290 nan 0.000 0.561 198 T N 1.503 116.071 114.554 0.024 0.000 3.192 198 T HA 0.300 4.649 4.350 -0.000 0.000 0.295 198 T C 0.775 175.482 174.700 0.011 0.000 0.947 198 T CA 0.012 62.123 62.100 0.017 0.000 0.916 198 T CB 0.088 68.966 68.868 0.016 0.000 1.169 198 T HN 0.519 nan 8.240 nan 0.000 0.540 199 R N 1.844 122.362 120.500 0.029 0.000 2.537 199 R HA 0.498 4.838 4.340 -0.000 0.000 0.280 199 R C 0.489 176.793 176.300 0.006 0.000 1.058 199 R CA -0.166 55.955 56.100 0.036 0.000 1.057 199 R CB 0.435 30.787 30.300 0.087 0.000 0.973 199 R HN 0.283 nan 8.270 nan 0.000 0.438 200 A N 2.937 125.716 122.820 -0.069 0.000 2.566 200 A HA 0.076 4.395 4.320 -0.000 0.000 0.245 200 A C -0.110 177.439 177.584 -0.058 0.000 1.056 200 A CA 0.533 52.506 52.037 -0.106 0.000 0.757 200 A CB 0.169 18.994 19.000 -0.292 0.000 0.979 200 A HN 0.634 nan 8.150 nan 0.000 0.508 201 T N 3.209 117.732 114.554 -0.052 0.000 2.879 201 T HA 0.446 4.795 4.350 -0.000 0.000 0.290 201 T C -0.385 174.313 174.700 -0.004 0.000 0.993 201 T CA -0.164 61.924 62.100 -0.020 0.000 0.975 201 T CB 0.447 69.383 68.868 0.113 0.000 0.981 201 T HN 0.381 nan 8.240 nan 0.000 0.439 202 F N 4.400 124.422 119.950 0.121 0.000 2.571 202 F HA 0.312 4.839 4.527 -0.000 0.000 0.384 202 F C 0.982 176.802 175.800 0.032 0.000 1.058 202 F CA -0.418 57.638 58.000 0.092 0.000 1.200 202 F CB 0.086 39.108 39.000 0.037 0.000 1.077 202 F HN 0.435 nan 8.300 nan 0.000 0.558 203 I N 0.318 121.026 120.570 0.230 0.000 3.108 203 I HA 0.707 4.877 4.170 -0.000 0.000 0.312 203 I C -1.017 175.098 176.117 -0.004 0.000 1.095 203 I CA -1.074 60.225 61.300 -0.001 0.000 1.000 203 I CB 2.410 40.393 38.000 -0.029 0.000 1.229 203 I HN 0.415 nan 8.210 nan 0.000 0.454 204 N N -0.324 118.176 118.700 -0.334 0.000 2.525 204 N HA 0.630 5.370 4.740 -0.000 0.000 0.270 204 N C -0.419 174.790 175.510 -0.502 0.000 1.321 204 N CA 0.171 53.096 53.050 -0.209 0.000 0.797 204 N CB 2.437 40.898 38.487 -0.043 0.000 1.529 204 N HN 0.945 nan 8.380 nan 0.000 0.491 205 T N -2.358 112.149 114.554 -0.078 0.000 3.431 205 T HA 0.376 4.726 4.350 -0.000 0.000 0.207 205 T C 0.331 174.962 174.700 -0.115 0.000 0.979 205 T CA -0.075 61.922 62.100 -0.171 0.000 1.141 205 T CB -0.657 68.020 68.868 -0.317 0.000 1.278 205 T HN 0.203 nan 8.240 nan 0.000 0.334 206 F N 3.268 123.254 119.950 0.060 0.000 2.623 206 F HA 0.323 4.850 4.527 -0.000 0.000 0.383 206 F C 1.740 177.454 175.800 -0.144 0.000 1.077 206 F CA 0.252 58.245 58.000 -0.011 0.000 1.268 206 F CB 0.366 39.400 39.000 0.056 0.000 1.053 206 F HN 0.292 nan 8.300 nan 0.000 0.571 207 Q N 1.909 121.644 119.800 -0.108 0.000 1.985 207 Q HA 0.124 4.463 4.340 -0.000 0.000 0.221 207 Q C 0.431 176.206 176.000 -0.374 0.000 0.728 207 Q CA 0.088 55.681 55.803 -0.350 0.000 0.882 207 Q CB 0.717 28.829 28.738 -1.042 0.000 1.203 207 Q HN 0.668 nan 8.270 nan 0.000 0.441 208 R N 1.049 121.302 120.500 -0.412 0.000 2.865 208 R HA 0.459 4.799 4.340 -0.000 0.000 0.370 208 R C 0.336 176.347 176.300 -0.481 0.000 1.168 208 R CA 0.384 55.858 56.100 -1.043 0.000 1.058 208 R CB 1.045 30.900 30.300 -0.742 0.000 1.419 208 R HN 0.232 nan 8.270 nan 0.000 0.580 209 G N 1.849 110.557 108.800 -0.153 0.000 2.741 209 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.222 209 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.222 209 G C 0.707 175.566 174.900 -0.069 0.000 1.364 209 G CA 0.075 45.166 45.100 -0.014 0.000 0.866 209 G HN 0.542 nan 8.290 nan 0.000 0.555 210 E N -0.745 119.363 120.200 -0.153 0.000 2.265 210 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 210 E C 1.522 178.145 176.600 0.039 0.000 0.996 210 E CA 1.505 57.782 56.400 -0.205 0.000 0.832 210 E CB -0.017 29.518 29.700 -0.275 0.000 0.756 210 E HN 0.437 nan 8.360 nan 0.000 0.491 211 Q N 0.723 120.581 119.800 0.096 0.000 2.198 211 Q HA 0.121 4.461 4.340 -0.000 0.000 0.209 211 Q C -0.351 175.764 176.000 0.192 0.000 0.848 211 Q CA 0.100 55.987 55.803 0.140 0.000 0.974 211 Q CB 0.840 29.648 28.738 0.116 0.000 1.115 211 Q HN 0.393 nan 8.270 nan 0.000 0.494 212 E N 2.081 122.430 120.200 0.247 0.000 1.963 212 E HA 0.153 4.503 4.350 -0.000 0.000 0.274 212 E C -0.326 176.491 176.600 0.363 0.000 1.061 212 E CA -0.186 56.380 56.400 0.276 0.000 0.847 212 E CB 0.539 30.379 29.700 0.234 0.000 1.083 212 E HN 0.106 nan 8.360 nan 0.000 0.402 213 S N 2.487 118.361 115.700 0.289 0.000 2.634 213 S HA 0.081 4.551 4.470 -0.000 0.000 0.261 213 S C 1.282 176.034 174.600 0.254 0.000 1.271 213 S CA -0.268 58.101 58.200 0.283 0.000 0.985 213 S CB 1.275 64.652 63.200 0.295 0.000 0.968 213 S HN 0.476 nan 8.310 nan 0.000 0.568 214 T N 0.139 114.780 114.554 0.145 0.000 2.778 214 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 214 T C 0.945 175.507 174.700 -0.229 0.000 1.050 214 T CA 1.838 63.831 62.100 -0.178 0.000 1.137 214 T CB -0.559 68.099 68.868 -0.350 0.000 0.860 214 T HN 0.758 nan 8.240 nan 0.000 0.468 215 W N 1.672 122.982 121.300 0.016 0.000 2.800 215 W HA 0.157 4.817 4.660 -0.000 0.000 0.249 215 W C 1.870 178.508 176.519 0.198 0.000 1.294 215 W CA 0.003 57.355 57.345 0.011 0.000 1.402 215 W CB -0.070 29.297 29.460 -0.154 0.000 1.126 215 W HN 0.355 nan 8.180 nan 0.000 0.652 216 E N -0.643 119.734 120.200 0.295 0.000 2.526 216 E HA 0.031 4.381 4.350 -0.000 0.000 0.208 216 E C 0.894 177.591 176.600 0.162 0.000 0.997 216 E CA 0.079 56.624 56.400 0.243 0.000 0.961 216 E CB 0.264 30.103 29.700 0.232 0.000 1.030 216 E HN -0.003 nan 8.360 nan 0.000 0.483 217 T N -0.942 113.655 114.554 0.073 0.000 2.849 217 T HA 0.454 4.803 4.350 -0.000 0.000 0.284 217 T C 0.349 175.092 174.700 0.072 0.000 1.004 217 T CA -0.504 61.597 62.100 0.002 0.000 1.021 217 T CB 1.192 69.924 68.868 -0.227 0.000 1.013 217 T HN -0.044 nan 8.240 nan 0.000 0.527 218 I N 2.225 122.887 120.570 0.153 0.000 2.390 218 I HA 0.317 4.487 4.170 -0.000 0.000 0.283 218 I C -2.518 173.713 176.117 0.190 0.000 1.016 218 I CA -2.730 58.687 61.300 0.195 0.000 1.151 218 I CB 1.717 39.885 38.000 0.279 0.000 1.293 218 I HN 0.400 nan 8.210 nan 0.000 0.458 219 P HA 0.075 nan 4.420 nan 0.000 0.268 219 P C -1.027 176.050 177.300 -0.371 0.000 1.205 219 P CA 0.494 63.406 63.100 -0.313 0.000 0.771 219 P CB 0.383 31.636 31.700 -0.746 0.000 0.858 220 H N 0.990 119.656 119.070 -0.673 0.000 3.017 220 H HA 0.452 5.008 4.556 -0.000 0.000 0.346 220 H C -3.232 171.460 175.328 -1.060 0.000 1.286 220 H CA -2.878 52.363 56.048 -1.345 0.000 1.120 220 H CB 0.806 29.871 29.762 -1.161 0.000 1.860 220 H HN 0.106 nan 8.280 nan 0.000 0.542 221 P HA 0.127 nan 4.420 nan 0.000 0.276 221 P C 0.419 177.608 177.300 -0.185 0.000 1.230 221 P CA -0.198 62.568 63.100 -0.556 0.000 0.776 221 P CB 1.365 32.825 31.700 -0.400 0.000 0.888 222 S N 2.122 117.766 115.700 -0.094 0.000 2.402 222 S HA 0.001 4.471 4.470 -0.000 0.000 0.229 222 S C 1.145 175.692 174.600 -0.088 0.000 1.021 222 S CA 0.774 58.910 58.200 -0.107 0.000 0.974 222 S CB -0.398 62.690 63.200 -0.188 0.000 0.800 222 S HN 0.470 nan 8.310 nan 0.000 0.484 223 I N 2.412 122.990 120.570 0.012 0.000 2.287 223 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 223 I C -0.254 175.901 176.117 0.065 0.000 1.069 223 I CA -0.379 60.956 61.300 0.058 0.000 1.237 223 I CB 1.003 39.067 38.000 0.108 0.000 1.418 223 I HN 0.015 nan 8.210 nan 0.000 0.481 224 E N 6.331 126.569 120.200 0.064 0.000 2.089 224 E HA 0.175 4.525 4.350 -0.000 0.000 0.284 224 E C -0.124 176.445 176.600 -0.050 0.000 1.023 224 E CA 0.128 56.578 56.400 0.083 0.000 0.819 224 E CB 0.683 30.477 29.700 0.156 0.000 1.076 224 E HN 0.504 nan 8.360 nan 0.000 0.396 225 E N 4.146 124.333 120.200 -0.022 0.000 2.714 225 E HA 0.111 4.461 4.350 -0.000 0.000 0.219 225 E C -0.543 176.027 176.600 -0.050 0.000 0.979 225 E CA -0.225 56.091 56.400 -0.139 0.000 1.092 225 E CB 0.167 29.856 29.700 -0.020 0.000 1.049 225 E HN 0.572 nan 8.360 nan 0.000 0.487 226 F N -0.688 119.324 119.950 0.105 0.000 3.006 226 F HA -0.325 4.202 4.527 -0.000 0.000 0.289 226 F C 1.814 177.603 175.800 -0.018 0.000 0.772 226 F CA 1.125 59.160 58.000 0.057 0.000 1.162 226 F CB -2.347 36.671 39.000 0.029 0.000 1.382 226 F HN 0.210 nan 8.300 nan 0.000 0.406 227 K N -0.861 119.602 120.400 0.104 0.000 2.097 227 K HA 0.084 4.404 4.320 -0.000 0.000 0.205 227 K C 0.602 176.917 176.600 -0.474 0.000 1.050 227 K CA 1.937 58.073 56.287 -0.251 0.000 0.938 227 K CB -0.347 31.924 32.500 -0.383 0.000 0.718 227 K HN 0.438 nan 8.250 nan 0.000 0.442 228 Y N -2.581 117.892 120.300 0.289 0.000 2.659 228 Y HA 0.496 5.045 4.550 -0.000 0.000 0.333 228 Y C 1.519 177.505 175.900 0.142 0.000 1.064 228 Y CA -0.589 57.690 58.100 0.299 0.000 1.141 228 Y CB 2.096 40.891 38.460 0.557 0.000 1.316 228 Y HN 0.469 nan 8.280 nan 0.000 0.509 229 G N 0.106 108.940 108.800 0.057 0.000 2.603 229 G HA2 0.067 4.027 3.960 -0.000 0.000 0.245 229 G HA3 0.067 4.027 3.960 -0.000 0.000 0.245 229 G C 0.110 174.765 174.900 -0.407 0.000 1.195 229 G CA -0.310 44.413 45.100 -0.628 0.000 0.953 229 G HN 1.265 nan 8.290 nan 0.000 0.566 230 G N -0.576 107.918 108.800 -0.510 0.000 2.938 230 G HA2 0.701 4.661 3.960 -0.000 0.000 0.258 230 G HA3 0.701 4.661 3.960 -0.000 0.000 0.258 230 G C -1.132 173.481 174.900 -0.479 0.000 1.356 230 G CA 0.307 45.012 45.100 -0.658 0.000 1.052 230 G HN 0.581 nan 8.290 nan 0.000 0.550 231 P HA -0.047 nan 4.420 nan 0.000 0.218 231 P C 0.731 177.629 177.300 -0.670 0.000 1.149 231 P CA 0.888 63.718 63.100 -0.451 0.000 0.817 231 P CB 0.227 31.694 31.700 -0.389 0.000 0.785 232 N N -0.440 117.850 118.700 -0.682 0.000 2.376 232 N HA 0.160 4.899 4.740 -0.000 0.000 0.249 232 N C 1.225 176.499 175.510 -0.393 0.000 1.140 232 N CA 0.718 53.233 53.050 -0.892 0.000 0.870 232 N CB 0.271 38.331 38.487 -0.712 0.000 1.124 232 N HN 0.100 nan 8.380 nan 0.000 0.505 233 G N 1.714 110.400 108.800 -0.190 0.000 2.611 233 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.301 233 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.301 233 G C 0.271 175.178 174.900 0.013 0.000 1.233 233 G CA 0.322 45.529 45.100 0.179 0.000 0.993 233 G HN 0.312 nan 8.290 nan 0.000 0.553 234 F N 1.201 121.243 119.950 0.154 0.000 2.695 234 F HA 0.432 4.959 4.527 -0.000 0.000 0.303 234 F C 2.468 178.152 175.800 -0.193 0.000 1.091 234 F CA 0.231 58.217 58.000 -0.024 0.000 1.300 234 F CB -0.042 38.927 39.000 -0.052 0.000 1.071 234 F HN 0.221 nan 8.300 nan 0.000 0.578 235 L N 0.536 121.849 121.223 0.149 0.000 2.013 235 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 235 L C 1.867 178.721 176.870 -0.027 0.000 1.073 235 L CA 1.804 56.733 54.840 0.148 0.000 0.753 235 L CB -0.592 41.639 42.059 0.286 0.000 0.890 235 L HN 0.186 nan 8.230 nan 0.000 0.432 236 D N -0.523 119.746 120.400 -0.218 0.000 2.324 236 D HA -0.052 4.588 4.640 -0.000 0.000 0.235 236 D C 1.774 177.932 176.300 -0.237 0.000 1.095 236 D CA 0.333 54.220 54.000 -0.188 0.000 0.871 236 D CB -0.306 40.262 40.800 -0.387 0.000 0.906 236 D HN 0.320 nan 8.370 nan 0.000 0.522 237 L N -1.227 119.628 121.223 -0.613 0.000 2.341 237 L HA 0.063 4.403 4.340 -0.000 0.000 0.214 237 L C 1.217 177.800 176.870 -0.480 0.000 1.115 237 L CA 0.608 54.893 54.840 -0.924 0.000 0.820 237 L CB -0.149 40.979 42.059 -1.551 0.000 0.944 237 L HN -0.026 nan 8.230 nan 0.000 0.452 238 F N -1.638 118.324 119.950 0.020 0.000 2.537 238 F HA 0.164 4.691 4.527 -0.000 0.000 0.275 238 F C 1.204 177.128 175.800 0.206 0.000 0.947 238 F CA -0.161 57.901 58.000 0.104 0.000 1.238 238 F CB -0.311 38.694 39.000 0.008 0.000 1.071 238 F HN -0.154 nan 8.300 nan 0.000 0.749 239 T N -0.764 113.994 114.554 0.339 0.000 2.921 239 T HA 0.401 4.751 4.350 -0.000 0.000 0.297 239 T C -0.979 173.890 174.700 0.282 0.000 1.013 239 T CA -0.843 61.415 62.100 0.262 0.000 0.990 239 T CB 2.209 71.181 68.868 0.174 0.000 1.023 239 T HN 0.075 nan 8.240 nan 0.000 0.447 240 K N 2.987 123.523 120.400 0.228 0.000 2.276 240 K HA 0.377 4.697 4.320 -0.000 0.000 0.285 240 K C -0.844 175.856 176.600 0.166 0.000 1.062 240 K CA -0.469 55.977 56.287 0.265 0.000 0.918 240 K CB 0.588 33.201 32.500 0.189 0.000 1.055 240 K HN 0.702 nan 8.250 nan 0.000 0.477 241 D N 2.723 123.169 120.400 0.078 0.000 2.450 241 D HA 0.276 4.916 4.640 -0.000 0.000 0.238 241 D C 0.570 176.723 176.300 -0.245 0.000 1.020 241 D CA -0.553 53.389 54.000 -0.097 0.000 1.010 241 D CB 1.466 42.117 40.800 -0.248 0.000 1.342 241 D HN 0.500 nan 8.370 nan 0.000 0.530 242 R N -0.175 120.224 120.500 -0.167 0.000 2.115 242 R HA 0.049 4.389 4.340 -0.000 0.000 0.230 242 R C 0.557 176.684 176.300 -0.288 0.000 1.111 242 R CA 0.809 56.793 56.100 -0.194 0.000 0.976 242 R CB -0.067 30.113 30.300 -0.199 0.000 0.870 242 R HN 0.440 nan 8.270 nan 0.000 0.445 243 S N -1.842 113.600 115.700 -0.430 0.000 2.596 243 S HA 0.453 4.923 4.470 -0.000 0.000 0.270 243 S C -1.375 172.910 174.600 -0.524 0.000 1.155 243 S CA -1.126 56.828 58.200 -0.410 0.000 0.827 243 S CB 1.107 64.220 63.200 -0.145 0.000 1.130 243 S HN 0.081 nan 8.310 nan 0.000 0.467 244 Y N 0.218 120.598 120.300 0.132 0.000 2.352 244 Y HA 0.773 5.323 4.550 -0.000 0.000 0.339 244 Y C 0.408 176.549 175.900 0.402 0.000 0.992 244 Y CA -0.528 57.720 58.100 0.246 0.000 1.100 244 Y CB 2.069 40.639 38.460 0.184 0.000 1.192 244 Y HN 1.114 nan 8.280 nan 0.000 0.458 245 A N 3.144 126.298 122.820 0.556 0.000 2.454 245 A HA 0.650 4.970 4.320 -0.000 0.000 0.302 245 A C -1.037 176.677 177.584 0.217 0.000 1.079 245 A CA -1.271 51.020 52.037 0.424 0.000 0.731 245 A CB 1.182 20.413 19.000 0.385 0.000 1.299 245 A HN 0.752 nan 8.150 nan 0.000 0.413 246 K N 0.965 121.268 120.400 -0.161 0.000 2.414 246 K HA 0.363 4.682 4.320 -0.000 0.000 0.272 246 K C -0.176 176.404 176.600 -0.034 0.000 0.993 246 K CA 0.295 56.379 56.287 -0.339 0.000 0.964 246 K CB 0.261 32.516 32.500 -0.408 0.000 0.925 246 K HN 0.811 nan 8.250 nan 0.000 0.487 247 Q N 1.754 121.548 119.800 -0.009 0.000 2.702 247 Q HA 0.396 4.736 4.340 -0.000 0.000 0.289 247 Q C -1.570 174.442 176.000 0.019 0.000 0.923 247 Q CA -1.206 54.593 55.803 -0.007 0.000 0.787 247 Q CB 1.028 29.851 28.738 0.142 0.000 1.476 247 Q HN 0.722 nan 8.270 nan 0.000 0.402 248 W N 0.622 121.816 121.300 -0.177 0.000 2.781 248 W HA 0.870 5.530 4.660 -0.000 0.000 0.345 248 W C -1.029 175.217 176.519 -0.454 0.000 1.085 248 W CA -0.811 56.324 57.345 -0.351 0.000 1.198 248 W CB 1.492 30.690 29.460 -0.437 0.000 1.423 248 W HN 0.940 nan 8.180 nan 0.000 0.532 249 R N 1.278 121.429 120.500 -0.582 0.000 2.634 249 R HA 0.490 4.829 4.340 -0.000 0.000 0.263 249 R C -2.338 173.361 176.300 -1.003 0.000 1.060 249 R CA -0.725 54.922 56.100 -0.755 0.000 0.898 249 R CB 1.136 31.337 30.300 -0.166 0.000 1.253 249 R HN 0.570 nan 8.270 nan 0.000 0.461 250 Y N -0.240 119.655 120.300 -0.675 0.000 2.602 250 Y HA 0.707 5.257 4.550 -0.000 0.000 0.342 250 Y C -0.061 175.714 175.900 -0.207 0.000 1.029 250 Y CA -0.833 56.878 58.100 -0.648 0.000 1.080 250 Y CB 2.856 40.522 38.460 -1.324 0.000 1.284 250 Y HN 0.638 nan 8.280 nan 0.000 0.485 251 T N 2.294 117.127 114.554 0.466 0.000 2.991 251 T HA 0.258 4.608 4.350 -0.000 0.000 0.303 251 T C -1.020 173.919 174.700 0.398 0.000 1.015 251 T CA -1.152 61.175 62.100 0.379 0.000 1.007 251 T CB 0.892 69.872 68.868 0.187 0.000 1.034 251 T HN 0.670 nan 8.240 nan 0.000 0.446 252 N N 1.373 120.339 118.700 0.443 0.000 2.495 252 N HA 0.595 5.335 4.740 -0.000 0.000 0.280 252 N C -0.937 174.694 175.510 0.202 0.000 1.168 252 N CA -0.887 52.356 53.050 0.321 0.000 0.978 252 N CB 1.380 40.054 38.487 0.311 0.000 1.191 252 N HN 0.660 nan 8.380 nan 0.000 0.497 253 A N 1.708 124.600 122.820 0.120 0.000 2.328 253 A HA 0.438 4.758 4.320 -0.000 0.000 0.318 253 A C -1.710 175.829 177.584 -0.076 0.000 1.347 253 A CA -1.445 50.580 52.037 -0.020 0.000 0.842 253 A CB 0.963 19.924 19.000 -0.065 0.000 1.148 253 A HN 0.699 nan 8.150 nan 0.000 0.499 254 P HA -0.154 nan 4.420 nan 0.000 0.225 254 P C 0.549 177.760 177.300 -0.148 0.000 1.148 254 P CA 1.232 64.325 63.100 -0.013 0.000 0.779 254 P CB 0.162 31.923 31.700 0.101 0.000 0.780 255 D N 0.384 120.526 120.400 -0.430 0.000 2.219 255 D HA -0.101 4.538 4.640 -0.000 0.000 0.205 255 D C 1.806 177.933 176.300 -0.289 0.000 0.970 255 D CA 1.079 54.827 54.000 -0.421 0.000 0.851 255 D CB -0.872 39.522 40.800 -0.678 0.000 0.943 255 D HN 0.115 nan 8.370 nan 0.000 0.488 256 A N 1.230 123.917 122.820 -0.222 0.000 1.845 256 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 256 A C 2.200 179.725 177.584 -0.098 0.000 1.195 256 A CA 1.797 53.757 52.037 -0.129 0.000 0.616 256 A CB -0.771 18.213 19.000 -0.026 0.000 0.832 256 A HN 0.155 nan 8.150 nan 0.000 0.443 257 E N -0.304 119.866 120.200 -0.051 0.000 2.085 257 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 257 E C 2.083 178.676 176.600 -0.012 0.000 0.994 257 E CA 1.241 57.640 56.400 -0.002 0.000 0.801 257 E CB -0.596 29.136 29.700 0.053 0.000 0.743 257 E HN 0.580 nan 8.360 nan 0.000 0.453 258 G N 0.641 109.411 108.800 -0.050 0.000 2.491 258 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.218 258 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.218 258 G C 1.573 176.388 174.900 -0.141 0.000 1.180 258 G CA 1.030 46.083 45.100 -0.078 0.000 0.774 258 G HN 0.183 nan 8.290 nan 0.000 0.562 259 R N 0.551 120.915 120.500 -0.227 0.000 2.096 259 R HA 0.048 4.387 4.340 -0.000 0.000 0.235 259 R C 2.858 178.970 176.300 -0.314 0.000 1.127 259 R CA 1.450 57.312 56.100 -0.396 0.000 0.968 259 R CB -0.372 29.602 30.300 -0.543 0.000 0.861 259 R HN 0.304 nan 8.270 nan 0.000 0.440 260 A N 0.876 123.623 122.820 -0.122 0.000 1.898 260 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 260 A C 2.108 179.804 177.584 0.186 0.000 1.181 260 A CA 1.295 53.371 52.037 0.065 0.000 0.620 260 A CB -0.404 18.650 19.000 0.089 0.000 0.819 260 A HN 0.347 nan 8.150 nan 0.000 0.442 261 I N -0.498 120.143 120.570 0.119 0.000 2.252 261 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 261 I C 2.748 178.841 176.117 -0.040 0.000 1.102 261 I CA 1.653 63.004 61.300 0.085 0.000 1.385 261 I CB -0.318 37.669 38.000 -0.022 0.000 1.064 261 I HN 0.541 nan 8.210 nan 0.000 0.414 262 Q N 1.376 121.137 119.800 -0.065 0.000 2.096 262 Q HA -0.275 4.065 4.340 -0.000 0.000 0.204 262 Q C 2.309 178.400 176.000 0.152 0.000 0.982 262 Q CA 2.208 58.040 55.803 0.048 0.000 0.850 262 Q CB -0.146 28.587 28.738 -0.009 0.000 0.901 262 Q HN 0.546 nan 8.270 nan 0.000 0.422 263 A N 0.050 122.878 122.820 0.013 0.000 1.902 263 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 263 A C 2.205 179.987 177.584 0.330 0.000 1.181 263 A CA 1.552 53.695 52.037 0.177 0.000 0.623 263 A CB -0.706 18.379 19.000 0.142 0.000 0.818 263 A HN 0.318 nan 8.150 nan 0.000 0.443 264 V N -1.197 118.877 119.914 0.268 0.000 2.626 264 V HA -0.251 3.868 4.120 -0.000 0.000 0.252 264 V C 2.276 178.511 176.094 0.234 0.000 1.067 264 V CA 1.879 64.340 62.300 0.269 0.000 1.081 264 V CB -1.066 30.905 31.823 0.247 0.000 0.686 264 V HN 0.733 nan 8.190 nan 0.000 0.468 265 Y N -0.034 120.187 120.300 -0.132 0.000 2.097 265 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 265 Y C 2.172 177.831 175.900 -0.402 0.000 1.152 265 Y CA 1.818 59.658 58.100 -0.432 0.000 1.136 265 Y CB -0.444 37.551 38.460 -0.774 0.000 0.975 265 Y HN 0.281 nan 8.280 nan 0.000 0.498 266 W N 0.293 121.512 121.300 -0.134 0.000 2.338 266 W HA -0.186 4.474 4.660 -0.000 0.000 0.304 266 W C 2.777 178.929 176.519 -0.613 0.000 1.212 266 W CA 1.701 58.593 57.345 -0.755 0.000 1.264 266 W CB -0.923 27.988 29.460 -0.915 0.000 1.142 266 W HN 0.184 nan 8.180 nan 0.000 0.512 267 A N 0.390 123.297 122.820 0.145 0.000 1.917 267 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 267 A C 1.966 179.473 177.584 -0.127 0.000 1.182 267 A CA 2.194 54.416 52.037 0.307 0.000 0.633 267 A CB -1.182 18.036 19.000 0.364 0.000 0.819 267 A HN 0.511 nan 8.150 nan 0.000 0.448 268 N N -0.745 117.838 118.700 -0.195 0.000 2.216 268 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 268 N C 1.905 177.215 175.510 -0.333 0.000 1.017 268 N CA 1.371 54.252 53.050 -0.280 0.000 0.861 268 N CB -0.179 38.211 38.487 -0.163 0.000 0.986 268 N HN 0.590 nan 8.380 nan 0.000 0.428 269 K N 0.143 120.247 120.400 -0.493 0.000 2.002 269 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 269 K C 1.934 178.487 176.600 -0.079 0.000 1.048 269 K CA 1.300 57.336 56.287 -0.419 0.000 0.930 269 K CB -0.176 31.927 32.500 -0.662 0.000 0.714 269 K HN 0.229 nan 8.250 nan 0.000 0.438 270 W N 0.381 121.718 121.300 0.063 0.000 2.358 270 W HA -0.050 4.610 4.660 -0.000 0.000 0.303 270 W C 2.356 178.925 176.519 0.084 0.000 1.208 270 W CA 0.881 58.327 57.345 0.169 0.000 1.274 270 W CB -1.136 28.570 29.460 0.410 0.000 1.138 270 W HN 0.257 nan 8.180 nan 0.000 0.515 271 A N 0.641 123.403 122.820 -0.097 0.000 1.902 271 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 271 A C 2.046 179.514 177.584 -0.192 0.000 1.181 271 A CA 2.462 54.200 52.037 -0.498 0.000 0.623 271 A CB -0.779 17.427 19.000 -1.324 0.000 0.818 271 A HN 0.176 nan 8.150 nan 0.000 0.443 272 K N 0.405 120.704 120.400 -0.168 0.000 2.057 272 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 272 K C 1.714 178.299 176.600 -0.025 0.000 1.049 272 K CA 1.962 58.185 56.287 -0.107 0.000 0.931 272 K CB -0.374 32.052 32.500 -0.123 0.000 0.714 272 K HN 0.576 nan 8.250 nan 0.000 0.440 273 E N -0.009 120.214 120.200 0.038 0.000 2.267 273 E HA -0.202 4.147 4.350 -0.000 0.000 0.197 273 E C 1.444 178.085 176.600 0.068 0.000 0.998 273 E CA 1.256 57.701 56.400 0.075 0.000 0.830 273 E CB 0.053 29.843 29.700 0.151 0.000 0.751 273 E HN 0.498 nan 8.360 nan 0.000 0.491 274 Q N -1.104 118.747 119.800 0.084 0.000 2.319 274 Q HA 0.141 4.481 4.340 -0.000 0.000 0.202 274 Q C 0.837 176.864 176.000 0.045 0.000 0.896 274 Q CA 0.308 56.164 55.803 0.088 0.000 0.942 274 Q CB 1.174 30.026 28.738 0.190 0.000 1.083 274 Q HN 0.318 nan 8.270 nan 0.000 0.510 275 G N 2.061 110.865 108.800 0.007 0.000 2.203 275 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 275 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 275 G C 0.428 175.309 174.900 -0.032 0.000 1.012 275 G CA 0.725 45.815 45.100 -0.017 0.000 0.749 275 G HN 0.334 nan 8.290 nan 0.000 0.512 276 K N -0.156 120.208 120.400 -0.059 0.000 2.537 276 K HA 0.336 4.656 4.320 -0.000 0.000 0.206 276 K C 1.365 177.815 176.600 -0.251 0.000 1.041 276 K CA 0.170 56.398 56.287 -0.098 0.000 1.090 276 K CB 0.981 33.480 32.500 -0.001 0.000 0.833 276 K HN 0.277 nan 8.250 nan 0.000 0.493 277 G N 0.899 109.563 108.800 -0.227 0.000 3.101 277 G HA2 0.087 4.047 3.960 -0.000 0.000 0.272 277 G HA3 0.087 4.047 3.960 -0.000 0.000 0.272 277 G C 0.423 175.193 174.900 -0.216 0.000 0.801 277 G CA 0.148 45.082 45.100 -0.277 0.000 1.978 277 G HN 0.206 nan 8.290 nan 0.000 0.591 278 S N -0.032 115.539 115.700 -0.215 0.000 1.946 278 S HA 0.122 4.592 4.470 -0.000 0.000 0.223 278 S C 2.075 176.601 174.600 -0.123 0.000 0.832 278 S CA 1.318 59.430 58.200 -0.147 0.000 1.453 278 S CB -0.828 62.310 63.200 -0.104 0.000 0.947 278 S HN 0.818 nan 8.310 nan 0.000 0.408 279 A N 1.520 124.261 122.820 -0.132 0.000 2.067 279 A HA 0.210 4.530 4.320 -0.000 0.000 0.219 279 A C 1.731 179.276 177.584 -0.066 0.000 1.158 279 A CA 1.805 53.809 52.037 -0.056 0.000 0.661 279 A CB -0.591 18.424 19.000 0.024 0.000 0.801 279 A HN 1.320 nan 8.150 nan 0.000 0.452 280 V N -4.860 114.950 119.914 -0.173 0.000 3.380 280 V HA 0.582 4.701 4.120 -0.000 0.000 0.307 280 V C 1.799 177.772 176.094 -0.200 0.000 1.434 280 V CA 0.478 62.685 62.300 -0.156 0.000 1.075 280 V CB -0.618 31.085 31.823 -0.200 0.000 0.954 280 V HN 0.368 nan 8.190 nan 0.000 0.444 281 A N 2.339 125.040 122.820 -0.198 0.000 1.908 281 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 281 A C 2.498 179.937 177.584 -0.241 0.000 1.181 281 A CA 2.654 54.557 52.037 -0.223 0.000 0.627 281 A CB -0.854 18.038 19.000 -0.181 0.000 0.818 281 A HN 1.033 nan 8.150 nan 0.000 0.445 282 S N -0.945 114.638 115.700 -0.195 0.000 2.436 282 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 282 S C 1.692 176.109 174.600 -0.306 0.000 1.014 282 S CA 1.103 59.181 58.200 -0.203 0.000 0.950 282 S CB -0.515 62.609 63.200 -0.128 0.000 0.784 282 S HN 0.211 nan 8.310 nan 0.000 0.504 283 V N 1.689 121.396 119.914 -0.345 0.000 2.323 283 V HA -0.100 4.020 4.120 -0.000 0.000 0.244 283 V C 2.654 178.359 176.094 -0.649 0.000 1.041 283 V CA 1.466 63.408 62.300 -0.597 0.000 1.025 283 V CB -0.716 30.870 31.823 -0.394 0.000 0.656 283 V HN 0.437 nan 8.190 nan 0.000 0.451 284 V N 0.480 120.109 119.914 -0.474 0.000 2.278 284 V HA -0.316 3.803 4.120 -0.000 0.000 0.251 284 V C 2.763 178.474 176.094 -0.638 0.000 1.062 284 V CA 2.663 64.603 62.300 -0.600 0.000 1.038 284 V CB -0.880 30.549 31.823 -0.658 0.000 0.646 284 V HN 0.714 nan 8.190 nan 0.000 0.447 285 S N -0.552 114.859 115.700 -0.481 0.000 2.402 285 S HA -0.225 4.245 4.470 -0.000 0.000 0.229 285 S C 1.991 176.406 174.600 -0.308 0.000 1.021 285 S CA 1.672 59.652 58.200 -0.367 0.000 0.974 285 S CB -0.252 62.784 63.200 -0.273 0.000 0.800 285 S HN 0.652 nan 8.310 nan 0.000 0.484 286 K N 1.151 121.328 120.400 -0.372 0.000 2.097 286 K HA 0.166 4.486 4.320 -0.000 0.000 0.205 286 K C 2.512 179.050 176.600 -0.102 0.000 1.050 286 K CA 1.085 57.196 56.287 -0.294 0.000 0.938 286 K CB -0.488 31.831 32.500 -0.301 0.000 0.718 286 K HN 0.462 nan 8.250 nan 0.000 0.442 287 A N 1.622 124.263 122.820 -0.299 0.000 1.908 287 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 287 A C 2.397 180.061 177.584 0.133 0.000 1.181 287 A CA 1.964 54.024 52.037 0.037 0.000 0.627 287 A CB -0.869 18.165 19.000 0.056 0.000 0.818 287 A HN 0.328 nan 8.150 nan 0.000 0.445 288 A N -0.007 122.814 122.820 0.002 0.000 1.883 288 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 288 A C 2.148 179.762 177.584 0.050 0.000 1.186 288 A CA 2.251 54.306 52.037 0.029 0.000 0.624 288 A CB -0.545 18.387 19.000 -0.114 0.000 0.822 288 A HN 0.606 nan 8.150 nan 0.000 0.444 289 K N -0.892 119.497 120.400 -0.018 0.000 2.063 289 K HA -0.166 4.153 4.320 -0.000 0.000 0.208 289 K C 2.154 178.824 176.600 0.117 0.000 1.048 289 K CA 1.823 58.029 56.287 -0.134 0.000 0.928 289 K CB -0.285 31.949 32.500 -0.443 0.000 0.713 289 K HN 0.497 nan 8.250 nan 0.000 0.442 290 M N 0.221 119.996 119.600 0.292 0.000 2.080 290 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 290 M C 1.959 178.458 176.300 0.330 0.000 1.068 290 M CA 2.227 57.798 55.300 0.452 0.000 1.109 290 M CB -0.437 32.468 32.600 0.508 0.000 1.342 290 M HN 0.362 nan 8.290 nan 0.000 0.405 291 G N -0.526 108.403 108.800 0.215 0.000 2.432 291 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 291 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 291 G C 1.140 176.272 174.900 0.388 0.000 1.135 291 G CA 1.162 46.345 45.100 0.138 0.000 0.767 291 G HN 0.462 nan 8.290 nan 0.000 0.550 292 D N 0.054 120.626 120.400 0.286 0.000 2.117 292 D HA -0.038 4.602 4.640 -0.000 0.000 0.198 292 D C 2.066 178.442 176.300 0.126 0.000 0.982 292 D CA 0.391 54.547 54.000 0.259 0.000 0.828 292 D CB -0.225 40.638 40.800 0.105 0.000 0.967 292 D HN 0.325 nan 8.370 nan 0.000 0.464 293 F N -0.048 119.995 119.950 0.155 0.000 2.293 293 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 293 F C 2.069 177.950 175.800 0.135 0.000 1.086 293 F CA 0.018 58.067 58.000 0.081 0.000 1.375 293 F CB -0.014 38.975 39.000 -0.017 0.000 1.045 293 F HN -0.003 nan 8.300 nan 0.000 0.516 294 L N 0.314 121.780 121.223 0.404 0.000 2.447 294 L HA -0.170 4.170 4.340 -0.000 0.000 0.225 294 L C 2.089 179.124 176.870 0.275 0.000 1.148 294 L CA 1.318 56.391 54.840 0.389 0.000 0.808 294 L CB -1.018 41.372 42.059 0.552 0.000 0.928 294 L HN 0.057 nan 8.230 nan 0.000 0.448 295 R N -0.804 119.813 120.500 0.196 0.000 2.152 295 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 295 R C 1.836 178.248 176.300 0.186 0.000 1.117 295 R CA 1.000 57.112 56.100 0.021 0.000 0.981 295 R CB -0.282 30.035 30.300 0.028 0.000 0.870 295 R HN 0.495 nan 8.270 nan 0.000 0.451 296 N N 0.896 119.725 118.700 0.214 0.000 2.364 296 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 296 N C 0.437 176.082 175.510 0.225 0.000 1.022 296 N CA 1.302 54.500 53.050 0.246 0.000 0.883 296 N CB -0.062 38.525 38.487 0.167 0.000 0.965 296 N HN 0.331 nan 8.380 nan 0.000 0.438 297 D N 0.242 120.738 120.400 0.160 0.000 2.363 297 D HA 0.049 4.689 4.640 -0.000 0.000 0.220 297 D C 1.360 177.687 176.300 0.044 0.000 0.994 297 D CA 0.405 54.475 54.000 0.117 0.000 0.890 297 D CB 0.058 40.948 40.800 0.150 0.000 0.906 297 D HN 0.271 nan 8.370 nan 0.000 0.530 298 M N -0.335 119.192 119.600 -0.121 0.000 2.561 298 M HA 0.158 4.638 4.480 -0.000 0.000 0.238 298 M C -0.433 175.054 176.300 -1.355 0.000 1.131 298 M CA 0.299 55.258 55.300 -0.569 0.000 1.046 298 M CB 0.294 32.461 32.600 -0.723 0.000 1.532 298 M HN -0.125 nan 8.290 nan 0.000 0.497 299 F N 0.139 119.700 119.950 -0.648 0.000 2.492 299 F HA 0.306 4.832 4.527 -0.000 0.000 0.327 299 F C 0.459 175.946 175.800 -0.522 0.000 1.079 299 F CA -1.747 55.850 58.000 -0.672 0.000 0.967 299 F CB 0.755 39.465 39.000 -0.482 0.000 1.169 299 F HN -0.094 nan 8.300 nan 0.000 0.472 300 D N 1.960 122.227 120.400 -0.221 0.000 2.548 300 D HA -0.069 4.571 4.640 -0.000 0.000 0.231 300 D C 1.305 177.424 176.300 -0.302 0.000 1.142 300 D CA 0.509 54.455 54.000 -0.090 0.000 0.866 300 D CB 0.862 41.686 40.800 0.039 0.000 1.190 300 D HN 0.625 nan 8.370 nan 0.000 0.469 301 K N 2.039 122.282 120.400 -0.260 0.000 2.034 301 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 301 K C 0.521 176.755 176.600 -0.610 0.000 1.051 301 K CA 1.467 57.478 56.287 -0.460 0.000 0.931 301 K CB -0.159 32.056 32.500 -0.475 0.000 0.715 301 K HN 0.613 nan 8.250 nan 0.000 0.446 302 Y N -0.416 119.908 120.300 0.040 0.000 2.756 302 Y HA 0.232 4.782 4.550 -0.000 0.000 0.300 302 Y C -0.695 175.311 175.900 0.177 0.000 1.113 302 Y CA -0.573 57.607 58.100 0.132 0.000 1.291 302 Y CB -0.279 38.326 38.460 0.243 0.000 1.175 302 Y HN 0.043 nan 8.280 nan 0.000 0.534 303 F N -1.897 118.139 119.950 0.144 0.000 3.090 303 F HA -0.322 4.204 4.527 -0.000 0.000 0.282 303 F C 0.400 176.233 175.800 0.053 0.000 0.923 303 F CA 0.056 58.106 58.000 0.083 0.000 0.977 303 F CB -1.572 37.438 39.000 0.016 0.000 0.954 303 F HN 0.040 nan 8.300 nan 0.000 0.695 304 M N 0.372 120.046 119.600 0.123 0.000 2.241 304 M HA 0.160 4.640 4.480 -0.000 0.000 0.335 304 M C 0.822 177.152 176.300 0.049 0.000 1.122 304 M CA -0.260 55.031 55.300 -0.014 0.000 1.164 304 M CB 0.738 33.153 32.600 -0.308 0.000 1.459 304 M HN 0.158 nan 8.290 nan 0.000 0.461 305 K N 2.109 122.518 120.400 0.015 0.000 2.412 305 K HA 0.126 4.446 4.320 -0.000 0.000 0.281 305 K C -0.503 176.143 176.600 0.077 0.000 1.027 305 K CA -0.432 55.882 56.287 0.046 0.000 0.989 305 K CB 0.425 32.936 32.500 0.018 0.000 0.935 305 K HN 0.405 nan 8.250 nan 0.000 0.475 306 I N 3.752 124.377 120.570 0.093 0.000 2.683 306 I HA -0.037 4.133 4.170 -0.000 0.000 0.286 306 I C 1.573 177.760 176.117 0.117 0.000 1.175 306 I CA 1.136 62.512 61.300 0.127 0.000 1.429 306 I CB -0.366 37.704 38.000 0.116 0.000 1.371 306 I HN 1.066 nan 8.210 nan 0.000 0.569 307 G N 4.822 113.714 108.800 0.154 0.000 2.176 307 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.253 307 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.253 307 G C 1.150 176.048 174.900 -0.004 0.000 0.979 307 G CA 0.743 45.903 45.100 0.101 0.000 0.641 307 G HN 0.871 nan 8.290 nan 0.000 0.530 308 A N -0.141 122.689 122.820 0.017 0.000 1.940 308 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 308 A C 1.768 179.298 177.584 -0.089 0.000 1.176 308 A CA 2.374 54.391 52.037 -0.033 0.000 0.631 308 A CB -0.441 18.541 19.000 -0.031 0.000 0.814 308 A HN 1.446 nan 8.150 nan 0.000 0.446 309 Q N -1.301 118.432 119.800 -0.111 0.000 2.461 309 Q HA -0.229 4.111 4.340 -0.000 0.000 0.264 309 Q C -0.581 175.394 176.000 -0.042 0.000 1.085 309 Q CA 1.147 56.833 55.803 -0.195 0.000 1.006 309 Q CB -1.400 27.062 28.738 -0.459 0.000 1.437 309 Q HN 0.785 nan 8.270 nan 0.000 0.514 310 D N -1.116 119.291 120.400 0.011 0.000 2.692 310 D HA 0.185 4.825 4.640 -0.000 0.000 0.290 310 D C -1.006 175.208 176.300 -0.144 0.000 1.281 310 D CA -0.734 53.255 54.000 -0.019 0.000 0.804 310 D CB 1.033 41.793 40.800 -0.066 0.000 1.331 310 D HN -0.058 nan 8.370 nan 0.000 0.432 311 K N 0.779 121.038 120.400 -0.235 0.000 2.715 311 K HA 0.255 4.575 4.320 -0.000 0.000 0.248 311 K C -0.443 175.967 176.600 -0.318 0.000 1.276 311 K CA 0.161 56.176 56.287 -0.453 0.000 1.209 311 K CB -0.093 32.129 32.500 -0.463 0.000 1.509 311 K HN 0.097 nan 8.250 nan 0.000 0.261 312 T N 3.585 117.982 114.554 -0.261 0.000 2.738 312 T HA 0.208 4.557 4.350 -0.000 0.000 0.298 312 T C -2.421 172.201 174.700 -0.131 0.000 0.962 312 T CA -1.889 60.118 62.100 -0.155 0.000 0.972 312 T CB 0.944 69.752 68.868 -0.101 0.000 0.928 312 T HN 0.132 nan 8.240 nan 0.000 0.474 313 P HA 0.415 nan 4.420 nan 0.000 0.276 313 P C -0.840 176.452 177.300 -0.013 0.000 1.230 313 P CA -0.416 62.656 63.100 -0.048 0.000 0.776 313 P CB 0.577 32.250 31.700 -0.044 0.000 0.888 314 A N 2.233 125.070 122.820 0.030 0.000 2.269 314 A HA 0.644 4.964 4.320 -0.000 0.000 0.327 314 A C 0.918 178.517 177.584 0.025 0.000 1.112 314 A CA 0.025 52.086 52.037 0.040 0.000 0.865 314 A CB 0.421 19.468 19.000 0.078 0.000 1.227 314 A HN 0.569 nan 8.150 nan 0.000 0.498 315 T N -2.915 111.650 114.554 0.018 0.000 2.986 315 T HA 0.385 4.735 4.350 -0.000 0.000 0.264 315 T C 1.005 175.708 174.700 0.005 0.000 0.964 315 T CA 0.843 62.937 62.100 -0.011 0.000 0.895 315 T CB -0.207 68.654 68.868 -0.012 0.000 1.163 315 T HN 1.024 nan 8.240 nan 0.000 0.517 316 G N 0.359 109.193 108.800 0.057 0.000 2.975 316 G HA2 0.403 4.362 3.960 -0.000 0.000 0.159 316 G HA3 0.403 4.362 3.960 -0.000 0.000 0.159 316 G C -0.169 174.826 174.900 0.159 0.000 1.525 316 G CA -0.682 44.491 45.100 0.121 0.000 1.075 316 G HN 0.343 nan 8.290 nan 0.000 0.574 317 Y N 0.415 120.783 120.300 0.115 0.000 2.495 317 Y HA 0.142 4.691 4.550 -0.000 0.000 0.293 317 Y C 1.742 177.676 175.900 0.056 0.000 1.186 317 Y CA -0.259 57.920 58.100 0.131 0.000 1.266 317 Y CB 0.581 39.117 38.460 0.126 0.000 1.101 317 Y HN 0.223 nan 8.280 nan 0.000 0.517 318 D N -0.612 119.894 120.400 0.177 0.000 2.351 318 D HA -0.139 4.501 4.640 -0.000 0.000 0.216 318 D C 1.749 178.102 176.300 0.087 0.000 0.968 318 D CA 1.397 55.466 54.000 0.116 0.000 0.899 318 D CB -0.006 40.849 40.800 0.093 0.000 0.907 318 D HN 0.332 nan 8.370 nan 0.000 0.514 319 S N -1.232 114.537 115.700 0.115 0.000 2.554 319 S HA 0.442 4.912 4.470 -0.000 0.000 0.226 319 S C 0.706 175.265 174.600 -0.069 0.000 0.980 319 S CA -0.595 57.677 58.200 0.119 0.000 0.939 319 S CB 0.591 63.963 63.200 0.285 0.000 0.832 319 S HN 0.136 nan 8.310 nan 0.000 0.486 320 A N 2.186 124.810 122.820 -0.327 0.000 2.269 320 A HA 0.589 4.909 4.320 -0.000 0.000 0.302 320 A C 0.646 177.753 177.584 -0.793 0.000 1.266 320 A CA -0.633 50.760 52.037 -1.073 0.000 0.894 320 A CB -0.001 18.097 19.000 -1.503 0.000 1.147 320 A HN 0.678 nan 8.150 nan 0.000 0.537 321 H N 0.207 118.952 119.070 -0.541 0.000 2.563 321 H HA 0.171 4.727 4.556 -0.000 0.000 0.264 321 H C -0.161 175.025 175.328 -0.236 0.000 0.957 321 H CA 0.303 56.180 56.048 -0.285 0.000 1.173 321 H CB -0.570 29.076 29.762 -0.194 0.000 1.420 321 H HN 0.727 nan 8.280 nan 0.000 0.551 322 Y N -0.936 119.172 120.300 -0.319 0.000 4.753 322 Y HA -0.251 4.299 4.550 -0.000 0.000 0.232 322 Y C -0.156 175.659 175.900 -0.141 0.000 1.029 322 Y CA 0.386 58.318 58.100 -0.279 0.000 1.996 322 Y CB -2.258 36.043 38.460 -0.265 0.000 1.602 322 Y HN 0.243 nan 8.280 nan 0.000 0.621 323 L N -0.304 121.009 121.223 0.149 0.000 2.376 323 L HA 0.506 4.846 4.340 -0.000 0.000 0.267 323 L C 0.698 177.597 176.870 0.049 0.000 1.035 323 L CA -1.338 53.486 54.840 -0.027 0.000 0.800 323 L CB 0.382 42.218 42.059 -0.371 0.000 1.290 323 L HN -0.145 nan 8.230 nan 0.000 0.462 324 M N 1.681 121.308 119.600 0.044 0.000 2.135 324 M HA 0.297 4.777 4.480 -0.000 0.000 0.345 324 M C 0.218 176.565 176.300 0.079 0.000 1.340 324 M CA -0.259 55.112 55.300 0.118 0.000 1.162 324 M CB 0.169 32.875 32.600 0.178 0.000 1.570 324 M HN 0.678 nan 8.290 nan 0.000 0.454 325 A N 3.979 126.841 122.820 0.070 0.000 2.251 325 A HA 0.153 4.473 4.320 -0.000 0.000 0.278 325 A C 1.106 178.747 177.584 0.095 0.000 1.206 325 A CA -0.405 51.617 52.037 -0.025 0.000 0.822 325 A CB 0.169 19.121 19.000 -0.080 0.000 1.187 325 A HN 1.006 nan 8.150 nan 0.000 0.504 326 W N -0.942 120.227 121.300 -0.218 0.000 2.392 326 W HA -0.022 4.638 4.660 -0.000 0.000 0.279 326 W C -0.254 176.390 176.519 0.208 0.000 1.225 326 W CA 2.316 59.578 57.345 -0.138 0.000 1.233 326 W CB -0.068 29.309 29.460 -0.138 0.000 1.122 326 W HN 0.689 nan 8.180 nan 0.000 0.561 327 Y N -3.751 116.679 120.300 0.217 0.000 2.814 327 Y HA 0.465 5.015 4.550 -0.000 0.000 0.348 327 Y C -1.114 174.893 175.900 0.178 0.000 1.245 327 Y CA -1.405 56.795 58.100 0.167 0.000 1.086 327 Y CB 0.347 38.902 38.460 0.159 0.000 1.373 327 Y HN -0.433 nan 8.280 nan 0.000 0.451 328 T N 1.351 116.187 114.554 0.470 0.000 2.876 328 T HA 0.876 5.225 4.350 -0.000 0.000 0.289 328 T C -0.998 174.094 174.700 0.653 0.000 1.014 328 T CA -0.206 62.172 62.100 0.464 0.000 0.986 328 T CB 1.472 70.518 68.868 0.297 0.000 1.021 328 T HN 1.037 nan 8.240 nan 0.000 0.458 329 A N 2.465 125.678 122.820 0.656 0.000 2.413 329 A HA 0.969 5.289 4.320 -0.000 0.000 0.307 329 A C -1.735 176.134 177.584 0.475 0.000 1.087 329 A CA -0.951 51.433 52.037 0.577 0.000 0.750 329 A CB 1.270 20.574 19.000 0.508 0.000 1.296 329 A HN 0.987 nan 8.150 nan 0.000 0.423 330 W N 0.102 121.230 121.300 -0.287 0.000 3.146 330 W HA 0.738 5.398 4.660 -0.000 0.000 0.319 330 W C -0.298 175.468 176.519 -1.255 0.000 1.258 330 W CA -0.226 56.606 57.345 -0.855 0.000 1.189 330 W CB 0.661 29.936 29.460 -0.308 0.000 1.412 330 W HN 1.494 nan 8.180 nan 0.000 0.567 331 G N 0.042 107.686 108.800 -1.926 0.000 2.430 331 G HA2 0.733 4.693 3.960 -0.000 0.000 0.300 331 G HA3 0.733 4.693 3.960 -0.000 0.000 0.300 331 G C -0.962 172.759 174.900 -1.965 0.000 1.330 331 G CA -0.002 43.779 45.100 -2.198 0.000 0.813 331 G HN 1.759 nan 8.290 nan 0.000 0.487 332 G N -1.995 105.542 108.800 -2.105 0.000 2.451 332 G HA2 0.694 4.654 3.960 -0.000 0.000 0.292 332 G HA3 0.694 4.654 3.960 -0.000 0.000 0.292 332 G C -0.059 173.915 174.900 -1.543 0.000 1.427 332 G CA 0.459 44.723 45.100 -1.393 0.000 0.792 332 G HN 1.543 nan 8.290 nan 0.000 0.498 333 G N -1.349 106.329 108.800 -1.870 0.000 2.606 333 G HA2 0.492 4.452 3.960 -0.000 0.000 0.252 333 G HA3 0.492 4.452 3.960 -0.000 0.000 0.252 333 G C 0.607 175.320 174.900 -0.312 0.000 1.206 333 G CA -0.347 44.009 45.100 -1.240 0.000 0.861 333 G HN 0.546 nan 8.290 nan 0.000 0.561 334 I N 0.516 121.017 120.570 -0.115 0.000 2.899 334 I HA 0.126 4.295 4.170 -0.000 0.000 0.257 334 I C 2.704 178.812 176.117 -0.016 0.000 1.115 334 I CA 0.707 62.007 61.300 -0.001 0.000 1.451 334 I CB 0.014 38.027 38.000 0.022 0.000 1.251 334 I HN 0.593 nan 8.210 nan 0.000 0.456 335 G N 0.908 109.710 108.800 0.003 0.000 2.776 335 G HA2 0.350 4.310 3.960 -0.000 0.000 0.209 335 G HA3 0.350 4.310 3.960 -0.000 0.000 0.209 335 G C 0.394 175.320 174.900 0.044 0.000 1.145 335 G CA 0.734 45.853 45.100 0.032 0.000 0.791 335 G HN 0.420 nan 8.290 nan 0.000 0.530 336 A N -0.621 122.204 122.820 0.009 0.000 2.612 336 A HA 0.671 4.991 4.320 -0.000 0.000 0.293 336 A C -0.376 177.160 177.584 -0.079 0.000 1.075 336 A CA -0.032 52.036 52.037 0.051 0.000 0.680 336 A CB 0.934 20.071 19.000 0.228 0.000 1.279 336 A HN 0.773 nan 8.150 nan 0.000 0.411 337 S N 1.899 117.626 115.700 0.045 0.000 2.474 337 S HA 0.738 5.208 4.470 -0.000 0.000 0.320 337 S C -0.523 174.184 174.600 0.178 0.000 1.067 337 S CA -0.463 57.753 58.200 0.027 0.000 1.127 337 S CB -0.321 62.925 63.200 0.076 0.000 0.971 337 S HN 1.393 nan 8.310 nan 0.000 0.472 338 W N 0.967 122.358 121.300 0.151 0.000 3.074 338 W HA 0.819 5.479 4.660 -0.000 0.000 0.332 338 W C -1.313 175.313 176.519 0.179 0.000 1.253 338 W CA -1.332 56.107 57.345 0.156 0.000 1.180 338 W CB 1.143 30.691 29.460 0.146 0.000 1.445 338 W HN 0.823 nan 8.180 nan 0.000 0.573 339 A N 1.787 124.960 122.820 0.589 0.000 2.612 339 A HA 0.871 5.191 4.320 -0.000 0.000 0.293 339 A C -1.720 176.230 177.584 0.610 0.000 1.075 339 A CA -0.781 51.507 52.037 0.419 0.000 0.680 339 A CB 1.608 20.793 19.000 0.309 0.000 1.279 339 A HN 1.081 nan 8.150 nan 0.000 0.411 340 W N 0.578 122.132 121.300 0.423 0.000 3.075 340 W HA 0.818 5.478 4.660 -0.000 0.000 0.334 340 W C -1.608 175.162 176.519 0.418 0.000 1.243 340 W CA -0.727 56.889 57.345 0.451 0.000 1.170 340 W CB 1.409 31.062 29.460 0.323 0.000 1.452 340 W HN 0.922 nan 8.180 nan 0.000 0.572 341 K N 2.520 123.402 120.400 0.803 0.000 2.535 341 K HA 0.514 4.834 4.320 -0.000 0.000 0.251 341 K C -1.316 175.691 176.600 0.678 0.000 0.942 341 K CA -0.535 56.084 56.287 0.553 0.000 0.798 341 K CB 2.464 35.104 32.500 0.233 0.000 1.267 341 K HN 0.620 nan 8.250 nan 0.000 0.434 342 I N 0.395 121.305 120.570 0.566 0.000 2.646 342 I HA 0.663 4.833 4.170 -0.000 0.000 0.299 342 I C 0.308 176.487 176.117 0.102 0.000 1.036 342 I CA -0.847 60.598 61.300 0.242 0.000 1.074 342 I CB 2.040 40.117 38.000 0.127 0.000 1.258 342 I HN 0.639 nan 8.210 nan 0.000 0.430 343 G N 2.548 111.222 108.800 -0.210 0.000 2.783 343 G HA2 0.468 4.428 3.960 -0.000 0.000 0.182 343 G HA3 0.468 4.428 3.960 -0.000 0.000 0.182 343 G C -1.016 173.694 174.900 -0.316 0.000 1.516 343 G CA -0.407 44.574 45.100 -0.197 0.000 1.079 343 G HN 0.846 nan 8.290 nan 0.000 0.573 344 C N -1.805 117.287 119.300 -0.346 0.000 2.985 344 C HA 0.632 5.092 4.460 -0.000 0.000 0.332 344 C C 1.283 176.065 174.990 -0.348 0.000 1.164 344 C CA -0.251 58.444 59.018 -0.539 0.000 1.347 344 C CB 1.072 28.263 27.740 -0.914 0.000 1.764 344 C HN 0.548 nan 8.230 nan 0.000 0.489 345 S N 1.946 117.331 115.700 -0.525 0.000 2.558 345 S HA 0.149 4.619 4.470 -0.000 0.000 0.217 345 S C 0.213 174.570 174.600 -0.405 0.000 0.975 345 S CA 0.341 58.300 58.200 -0.402 0.000 0.912 345 S CB -0.332 62.610 63.200 -0.431 0.000 0.776 345 S HN 0.797 nan 8.310 nan 0.000 0.526 346 H N 0.945 119.848 119.070 -0.278 0.000 2.469 346 H HA 0.717 5.273 4.556 -0.000 0.000 0.342 346 H C -0.361 174.802 175.328 -0.275 0.000 1.115 346 H CA -1.014 54.858 56.048 -0.295 0.000 1.204 346 H CB 1.316 30.863 29.762 -0.358 0.000 1.492 346 H HN 0.126 nan 8.280 nan 0.000 0.499 347 A N 3.042 125.787 122.820 -0.124 0.000 2.374 347 A HA 0.339 4.659 4.320 -0.000 0.000 0.305 347 A C -1.108 176.501 177.584 0.041 0.000 1.053 347 A CA -0.624 51.339 52.037 -0.123 0.000 0.726 347 A CB 1.408 20.175 19.000 -0.389 0.000 1.229 347 A HN 0.749 nan 8.150 nan 0.000 0.431 348 H N 2.983 122.034 119.070 -0.032 0.000 2.459 348 H HA 0.348 4.904 4.556 -0.000 0.000 0.332 348 H C 0.773 176.110 175.328 0.016 0.000 1.094 348 H CA -0.742 55.271 56.048 -0.059 0.000 1.224 348 H CB 1.035 30.677 29.762 -0.199 0.000 1.449 348 H HN 0.721 nan 8.280 nan 0.000 0.484 349 F N 3.127 123.136 119.950 0.098 0.000 2.250 349 F HA -0.004 4.523 4.527 -0.000 0.000 0.301 349 F C 1.757 177.588 175.800 0.052 0.000 1.077 349 F CA 1.294 59.252 58.000 -0.070 0.000 1.348 349 F CB -0.647 38.090 39.000 -0.438 0.000 1.040 349 F HN 0.515 nan 8.300 nan 0.000 0.509 350 G N -1.169 107.027 108.800 -1.007 0.000 2.559 350 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 350 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 350 G C 0.975 175.759 174.900 -0.194 0.000 1.126 350 G CA 0.527 45.033 45.100 -0.989 0.000 0.778 350 G HN 0.490 nan 8.290 nan 0.000 0.543 351 Y N 0.361 120.459 120.300 -0.338 0.000 2.462 351 Y HA 0.244 4.794 4.550 -0.000 0.000 0.261 351 Y C 1.188 177.066 175.900 -0.036 0.000 1.146 351 Y CA -0.661 57.340 58.100 -0.165 0.000 1.283 351 Y CB 0.165 38.531 38.460 -0.158 0.000 1.090 351 Y HN 0.110 nan 8.280 nan 0.000 0.526 352 Q N 0.773 120.655 119.800 0.136 0.000 2.340 352 Q HA 0.112 4.452 4.340 -0.000 0.000 0.249 352 Q C -0.116 176.026 176.000 0.236 0.000 0.957 352 Q CA 0.142 56.055 55.803 0.184 0.000 0.882 352 Q CB 0.735 29.565 28.738 0.153 0.000 1.235 352 Q HN 0.122 nan 8.270 nan 0.000 0.439 353 N N 2.095 120.935 118.700 0.234 0.000 2.722 353 N HA 0.159 4.899 4.740 -0.000 0.000 0.242 353 N C -2.276 173.350 175.510 0.193 0.000 1.398 353 N CA -1.502 51.662 53.050 0.189 0.000 0.755 353 N CB 0.992 39.531 38.487 0.086 0.000 1.268 353 N HN 0.110 nan 8.380 nan 0.000 0.522 354 P HA -0.125 nan 4.420 nan 0.000 0.221 354 P C 1.346 178.676 177.300 0.049 0.000 1.145 354 P CA 0.635 63.810 63.100 0.125 0.000 0.795 354 P CB 0.169 31.850 31.700 -0.033 0.000 0.775 355 F N 1.699 121.638 119.950 -0.018 0.000 2.060 355 F HA -0.142 4.385 4.527 -0.000 0.000 0.295 355 F C 2.628 178.375 175.800 -0.089 0.000 1.120 355 F CA 1.573 59.568 58.000 -0.008 0.000 1.205 355 F CB -0.939 38.054 39.000 -0.011 0.000 0.986 355 F HN -0.179 nan 8.300 nan 0.000 0.470 356 Q N 0.885 120.580 119.800 -0.174 0.000 2.112 356 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 356 Q C 2.316 177.980 176.000 -0.560 0.000 0.987 356 Q CA 1.999 57.556 55.803 -0.410 0.000 0.858 356 Q CB -1.166 27.420 28.738 -0.253 0.000 0.905 356 Q HN 0.559 nan 8.270 nan 0.000 0.420 357 G N 0.106 108.708 108.800 -0.331 0.000 2.459 357 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.217 357 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.217 357 G C 1.143 175.915 174.900 -0.213 0.000 1.183 357 G CA 0.866 45.850 45.100 -0.193 0.000 0.776 357 G HN 0.621 nan 8.290 nan 0.000 0.552 358 W N 1.105 122.023 121.300 -0.636 0.000 2.338 358 W HA -0.114 4.546 4.660 -0.000 0.000 0.304 358 W C 2.455 178.544 176.519 -0.716 0.000 1.212 358 W CA 1.932 58.685 57.345 -0.986 0.000 1.264 358 W CB -0.384 28.517 29.460 -0.931 0.000 1.142 358 W HN 0.047 nan 8.180 nan 0.000 0.512 359 V N 1.355 120.741 119.914 -0.879 0.000 2.255 359 V HA -0.385 3.735 4.120 -0.000 0.000 0.247 359 V C 2.543 178.165 176.094 -0.787 0.000 1.051 359 V CA 2.757 64.401 62.300 -1.093 0.000 1.018 359 V CB -1.515 29.608 31.823 -1.166 0.000 0.641 359 V HN 0.393 nan 8.190 nan 0.000 0.445 360 S N 0.636 115.922 115.700 -0.690 0.000 2.453 360 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 360 S C 1.995 176.420 174.600 -0.292 0.000 1.005 360 S CA 1.049 58.945 58.200 -0.507 0.000 0.949 360 S CB -0.361 62.390 63.200 -0.749 0.000 0.774 360 S HN 0.582 nan 8.310 nan 0.000 0.510 361 A N 2.041 124.706 122.820 -0.260 0.000 1.930 361 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 361 A C 2.441 179.904 177.584 -0.202 0.000 1.176 361 A CA 1.702 53.712 52.037 -0.045 0.000 0.632 361 A CB -0.915 18.220 19.000 0.224 0.000 0.819 361 A HN 0.687 nan 8.150 nan 0.000 0.445 362 T N -4.391 109.847 114.554 -0.527 0.000 2.978 362 T HA 0.146 4.495 4.350 -0.000 0.000 0.248 362 T C 0.498 174.928 174.700 -0.450 0.000 1.018 362 T CA -0.191 61.594 62.100 -0.525 0.000 1.026 362 T CB 0.009 68.401 68.868 -0.793 0.000 1.032 362 T HN 0.177 nan 8.240 nan 0.000 0.485 363 Q N 2.090 121.594 119.800 -0.493 0.000 2.314 363 Q HA 0.399 4.738 4.340 -0.000 0.000 0.257 363 Q C 1.145 177.076 176.000 -0.114 0.000 0.975 363 Q CA -0.068 55.564 55.803 -0.284 0.000 0.933 363 Q CB 1.661 30.257 28.738 -0.237 0.000 1.195 363 Q HN 0.336 nan 8.270 nan 0.000 0.426 364 S N 3.329 118.969 115.700 -0.100 0.000 2.380 364 S HA -0.222 4.248 4.470 -0.000 0.000 0.229 364 S C 0.762 175.304 174.600 -0.097 0.000 1.050 364 S CA 2.172 60.319 58.200 -0.088 0.000 1.100 364 S CB 0.155 63.305 63.200 -0.084 0.000 0.984 364 S HN 0.590 nan 8.310 nan 0.000 0.434 365 D N -0.161 120.173 120.400 -0.111 0.000 2.264 365 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 365 D C 0.931 176.973 176.300 -0.429 0.000 0.966 365 D CA 0.768 54.606 54.000 -0.270 0.000 0.864 365 D CB -0.325 40.261 40.800 -0.358 0.000 0.933 365 D HN 0.527 nan 8.370 nan 0.000 0.499 366 F N 0.634 120.471 119.950 -0.187 0.000 2.641 366 F HA 0.355 4.882 4.527 -0.000 0.000 0.302 366 F C 1.041 176.735 175.800 -0.176 0.000 1.098 366 F CA -0.596 57.286 58.000 -0.197 0.000 1.318 366 F CB -0.029 38.821 39.000 -0.250 0.000 1.035 366 F HN -0.231 nan 8.300 nan 0.000 0.551 367 A N 1.617 124.415 122.820 -0.036 0.000 2.548 367 A HA 0.269 4.589 4.320 -0.000 0.000 0.247 367 A C -2.148 175.431 177.584 -0.008 0.000 1.067 367 A CA -1.065 50.951 52.037 -0.035 0.000 0.757 367 A CB -0.567 18.401 19.000 -0.054 0.000 0.996 367 A HN -0.001 nan 8.150 nan 0.000 0.504 368 P HA 0.084 nan 4.420 nan 0.000 0.266 368 P C 0.561 177.879 177.300 0.030 0.000 1.195 368 P CA -0.054 63.098 63.100 0.088 0.000 0.768 368 P CB 0.604 32.395 31.700 0.151 0.000 0.838 369 K N 1.759 122.177 120.400 0.030 0.000 2.288 369 K HA -0.013 4.307 4.320 -0.000 0.000 0.201 369 K C 0.679 177.150 176.600 -0.215 0.000 1.048 369 K CA 0.380 56.593 56.287 -0.123 0.000 0.956 369 K CB 0.002 32.376 32.500 -0.210 0.000 0.746 369 K HN 0.631 nan 8.250 nan 0.000 0.461 370 S N -0.411 115.180 115.700 -0.181 0.000 2.600 370 S HA 0.009 4.479 4.470 -0.000 0.000 0.265 370 S C 1.067 175.619 174.600 -0.080 0.000 1.325 370 S CA -0.116 57.980 58.200 -0.172 0.000 1.002 370 S CB 1.575 64.709 63.200 -0.110 0.000 0.921 370 S HN 0.263 nan 8.310 nan 0.000 0.554 371 S N 0.802 116.462 115.700 -0.067 0.000 2.470 371 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 371 S C 0.926 175.520 174.600 -0.009 0.000 1.006 371 S CA 0.172 58.348 58.200 -0.039 0.000 0.934 371 S CB -0.542 62.633 63.200 -0.041 0.000 0.778 371 S HN 0.734 nan 8.310 nan 0.000 0.517 372 N N 1.044 119.752 118.700 0.014 0.000 2.220 372 N HA 0.234 4.973 4.740 -0.000 0.000 0.195 372 N C 1.632 177.179 175.510 0.061 0.000 1.123 372 N CA 0.707 53.777 53.050 0.034 0.000 0.874 372 N CB -0.081 38.448 38.487 0.070 0.000 0.995 372 N HN 0.533 nan 8.380 nan 0.000 0.498 373 G N 1.679 110.529 108.800 0.084 0.000 2.446 373 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 373 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 373 G C 1.533 176.571 174.900 0.230 0.000 1.168 373 G CA 0.841 46.040 45.100 0.166 0.000 0.771 373 G HN 0.291 nan 8.290 nan 0.000 0.551 374 K N 0.335 120.827 120.400 0.152 0.000 2.032 374 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 374 K C 2.539 179.205 176.600 0.111 0.000 1.048 374 K CA 1.359 57.726 56.287 0.133 0.000 0.927 374 K CB -0.243 32.288 32.500 0.051 0.000 0.712 374 K HN 0.255 nan 8.250 nan 0.000 0.441 375 R N 0.529 121.056 120.500 0.044 0.000 2.080 375 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 375 R C 1.546 177.822 176.300 -0.040 0.000 1.137 375 R CA 2.268 58.359 56.100 -0.015 0.000 0.943 375 R CB -0.316 29.950 30.300 -0.058 0.000 0.846 375 R HN 0.266 nan 8.270 nan 0.000 0.431 376 D N -0.491 119.894 120.400 -0.026 0.000 2.123 376 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 376 D C 1.674 177.905 176.300 -0.116 0.000 0.992 376 D CA 1.249 55.209 54.000 -0.066 0.000 0.833 376 D CB -0.495 40.294 40.800 -0.018 0.000 0.954 376 D HN 0.375 nan 8.370 nan 0.000 0.455 377 W N 1.085 122.420 121.300 0.059 0.000 2.374 377 W HA -0.124 4.536 4.660 -0.000 0.000 0.288 377 W C 2.504 179.089 176.519 0.110 0.000 1.218 377 W CA 1.100 58.495 57.345 0.084 0.000 1.245 377 W CB -0.389 29.112 29.460 0.068 0.000 1.126 377 W HN -0.081 nan 8.180 nan 0.000 0.545 378 T N -0.637 114.062 114.554 0.242 0.000 2.746 378 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 378 T C 1.600 176.171 174.700 -0.215 0.000 1.039 378 T CA 2.016 64.164 62.100 0.081 0.000 1.142 378 T CB -0.715 68.175 68.868 0.037 0.000 0.866 378 T HN 0.071 nan 8.240 nan 0.000 0.444 379 T N 1.383 115.780 114.554 -0.262 0.000 2.708 379 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 379 T C 2.337 176.778 174.700 -0.433 0.000 1.037 379 T CA 1.510 63.319 62.100 -0.485 0.000 1.146 379 T CB -0.474 67.900 68.868 -0.823 0.000 0.865 379 T HN 0.374 nan 8.240 nan 0.000 0.435 380 S N 0.754 116.309 115.700 -0.242 0.000 2.348 380 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 380 S C 2.084 176.728 174.600 0.073 0.000 1.033 380 S CA 1.741 59.903 58.200 -0.064 0.000 1.010 380 S CB -0.646 62.493 63.200 -0.103 0.000 0.891 380 S HN 0.737 nan 8.310 nan 0.000 0.442 381 Y N 1.133 121.534 120.300 0.168 0.000 2.224 381 Y HA 0.008 4.558 4.550 -0.000 0.000 0.289 381 Y C 1.980 177.906 175.900 0.043 0.000 1.146 381 Y CA 1.592 59.781 58.100 0.149 0.000 1.182 381 Y CB -0.497 38.073 38.460 0.183 0.000 0.983 381 Y HN 0.168 nan 8.280 nan 0.000 0.524 382 K N 0.128 120.212 120.400 -0.527 0.000 2.057 382 K HA -0.158 4.161 4.320 -0.000 0.000 0.206 382 K C 2.247 178.783 176.600 -0.106 0.000 1.050 382 K CA 1.403 57.488 56.287 -0.338 0.000 0.935 382 K CB -0.209 32.043 32.500 -0.413 0.000 0.715 382 K HN 0.136 nan 8.250 nan 0.000 0.439 383 R N 1.836 122.251 120.500 -0.142 0.000 2.083 383 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 383 R C 2.044 178.394 176.300 0.084 0.000 1.137 383 R CA 1.761 57.809 56.100 -0.086 0.000 0.951 383 R CB -0.376 29.816 30.300 -0.180 0.000 0.851 383 R HN 0.252 nan 8.270 nan 0.000 0.434 384 Q N -0.136 119.724 119.800 0.101 0.000 2.112 384 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 384 Q C 2.176 178.373 176.000 0.328 0.000 0.987 384 Q CA 1.924 57.847 55.803 0.200 0.000 0.858 384 Q CB -0.283 28.606 28.738 0.251 0.000 0.905 384 Q HN 0.363 nan 8.270 nan 0.000 0.420 385 L N 0.523 121.879 121.223 0.222 0.000 2.083 385 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 385 L C 2.133 179.113 176.870 0.183 0.000 1.083 385 L CA 1.224 56.172 54.840 0.179 0.000 0.752 385 L CB -0.406 41.668 42.059 0.025 0.000 0.899 385 L HN 0.253 nan 8.230 nan 0.000 0.433 386 E N -0.582 119.720 120.200 0.170 0.000 2.152 386 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 386 E C 2.005 178.532 176.600 -0.121 0.000 0.983 386 E CA 0.755 57.203 56.400 0.080 0.000 0.818 386 E CB -0.071 29.781 29.700 0.253 0.000 0.758 386 E HN 0.303 nan 8.360 nan 0.000 0.467 387 F N 0.854 120.658 119.950 -0.242 0.000 2.069 387 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 387 F C 1.751 177.321 175.800 -0.382 0.000 1.113 387 F CA 1.520 59.134 58.000 -0.642 0.000 1.214 387 F CB -0.614 38.084 39.000 -0.504 0.000 0.978 387 F HN 0.017 nan 8.300 nan 0.000 0.474 388 Y N 0.440 120.617 120.300 -0.205 0.000 2.114 388 Y HA -0.327 4.223 4.550 -0.000 0.000 0.282 388 Y C 2.685 178.370 175.900 -0.358 0.000 1.165 388 Y CA 2.082 60.009 58.100 -0.288 0.000 1.148 388 Y CB -1.036 37.331 38.460 -0.156 0.000 0.972 388 Y HN 0.171 nan 8.280 nan 0.000 0.504 389 Q N -1.584 118.147 119.800 -0.116 0.000 2.084 389 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 389 Q C 2.036 177.920 176.000 -0.194 0.000 0.978 389 Q CA 1.791 57.467 55.803 -0.211 0.000 0.844 389 Q CB -0.576 28.131 28.738 -0.052 0.000 0.898 389 Q HN 0.689 nan 8.270 nan 0.000 0.426 390 W N 0.857 121.852 121.300 -0.509 0.000 2.402 390 W HA -0.067 4.593 4.660 -0.000 0.000 0.286 390 W C 1.004 177.359 176.519 -0.272 0.000 1.221 390 W CA 0.954 58.111 57.345 -0.313 0.000 1.257 390 W CB -0.002 29.156 29.460 -0.504 0.000 1.120 390 W HN 0.011 nan 8.180 nan 0.000 0.551 391 L N 0.892 121.722 121.223 -0.656 0.000 2.599 391 L HA 0.081 4.421 4.340 -0.000 0.000 0.230 391 L C 1.210 177.736 176.870 -0.573 0.000 1.141 391 L CA 0.139 54.458 54.840 -0.867 0.000 0.877 391 L CB -0.748 40.721 42.059 -0.983 0.000 1.009 391 L HN -0.107 nan 8.230 nan 0.000 0.447 392 Q N 1.486 121.065 119.800 -0.368 0.000 2.293 392 Q HA 0.124 4.463 4.340 -0.000 0.000 0.263 392 Q C 0.399 176.351 176.000 -0.079 0.000 1.002 392 Q CA -0.333 55.320 55.803 -0.250 0.000 0.910 392 Q CB 0.876 29.393 28.738 -0.367 0.000 1.185 392 Q HN 0.370 nan 8.270 nan 0.000 0.401 393 S N 2.785 118.416 115.700 -0.115 0.000 2.596 393 S HA 0.231 4.701 4.470 -0.000 0.000 0.260 393 S C 1.211 175.779 174.600 -0.053 0.000 1.336 393 S CA -0.208 57.935 58.200 -0.094 0.000 0.993 393 S CB 1.141 64.294 63.200 -0.079 0.000 0.923 393 S HN 0.773 nan 8.310 nan 0.000 0.567 394 A N 0.745 123.510 122.820 -0.091 0.000 1.958 394 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 394 A C 1.952 179.533 177.584 -0.006 0.000 1.178 394 A CA 2.080 54.101 52.037 -0.027 0.000 0.642 394 A CB -1.051 17.943 19.000 -0.010 0.000 0.816 394 A HN 0.885 nan 8.150 nan 0.000 0.453 395 E N -2.447 117.698 120.200 -0.092 0.000 2.250 395 E HA 0.321 4.671 4.350 -0.000 0.000 0.192 395 E C 1.480 177.935 176.600 -0.242 0.000 0.986 395 E CA 1.009 57.331 56.400 -0.130 0.000 0.849 395 E CB 0.074 29.667 29.700 -0.179 0.000 0.797 395 E HN 0.711 nan 8.360 nan 0.000 0.482 396 G N -0.447 108.124 108.800 -0.382 0.000 2.901 396 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.194 396 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.194 396 G C 0.666 175.323 174.900 -0.405 0.000 1.020 396 G CA -0.385 44.556 45.100 -0.265 0.000 0.787 396 G HN 0.494 nan 8.290 nan 0.000 0.477 397 G N 0.911 108.988 108.800 -1.205 0.000 2.491 397 G HA2 0.478 4.438 3.960 -0.000 0.000 0.242 397 G HA3 0.478 4.438 3.960 -0.000 0.000 0.242 397 G C 0.187 174.981 174.900 -0.175 0.000 1.266 397 G CA -0.138 44.404 45.100 -0.929 0.000 0.844 397 G HN 0.403 nan 8.290 nan 0.000 0.571 398 I N 1.752 122.239 120.570 -0.138 0.000 2.312 398 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 398 I C 1.117 176.689 176.117 -0.910 0.000 1.031 398 I CA -1.085 59.843 61.300 -0.619 0.000 1.293 398 I CB 0.113 37.446 38.000 -1.113 0.000 1.403 398 I HN 0.530 nan 8.210 nan 0.000 0.484 399 A N 5.150 127.378 122.820 -0.987 0.000 2.346 399 A HA 0.520 4.840 4.320 -0.000 0.000 0.255 399 A C 1.467 178.422 177.584 -1.048 0.000 1.113 399 A CA 0.372 51.527 52.037 -1.470 0.000 0.798 399 A CB -0.246 18.156 19.000 -0.997 0.000 1.073 399 A HN 0.870 nan 8.150 nan 0.000 0.502 400 G N -1.103 107.116 108.800 -0.968 0.000 2.464 400 G HA2 0.372 4.332 3.960 -0.000 0.000 0.214 400 G HA3 0.372 4.332 3.960 -0.000 0.000 0.214 400 G C 0.851 175.377 174.900 -0.624 0.000 1.218 400 G CA 1.507 46.131 45.100 -0.793 0.000 0.794 400 G HN 1.964 nan 8.290 nan 0.000 0.542 401 G N -1.657 106.820 108.800 -0.539 0.000 2.566 401 G HA2 0.615 4.575 3.960 -0.000 0.000 0.138 401 G HA3 0.615 4.575 3.960 -0.000 0.000 0.138 401 G C -1.274 173.618 174.900 -0.013 0.000 1.133 401 G CA 0.416 45.403 45.100 -0.188 0.000 1.037 401 G HN 1.525 nan 8.290 nan 0.000 0.491 402 A N -1.904 120.993 122.820 0.129 0.000 2.586 402 A HA 0.932 5.252 4.320 -0.000 0.000 0.290 402 A C -0.813 176.793 177.584 0.038 0.000 1.086 402 A CA 0.568 52.702 52.037 0.160 0.000 0.665 402 A CB 1.388 20.665 19.000 0.462 0.000 1.279 402 A HN 1.852 nan 8.150 nan 0.000 0.423 403 T N -0.821 113.769 114.554 0.060 0.000 2.916 403 T HA 0.476 4.826 4.350 -0.000 0.000 0.305 403 T C -0.125 174.666 174.700 0.152 0.000 1.119 403 T CA -0.219 61.929 62.100 0.080 0.000 1.008 403 T CB 1.586 70.508 68.868 0.091 0.000 1.129 403 T HN 0.713 nan 8.240 nan 0.000 0.480 404 N N 1.479 120.269 118.700 0.150 0.000 2.236 404 N HA 0.225 4.965 4.740 -0.000 0.000 0.196 404 N C -0.330 175.350 175.510 0.284 0.000 1.114 404 N CA -0.005 53.214 53.050 0.282 0.000 0.859 404 N CB 0.566 39.204 38.487 0.250 0.000 0.982 404 N HN 0.320 nan 8.380 nan 0.000 0.493 405 S N 0.459 116.209 115.700 0.084 0.000 2.395 405 S HA 0.154 4.624 4.470 -0.000 0.000 0.207 405 S C -1.319 173.295 174.600 0.023 0.000 1.454 405 S CA -0.745 57.339 58.200 -0.193 0.000 1.211 405 S CB -0.297 62.457 63.200 -0.743 0.000 1.093 405 S HN 0.285 nan 8.310 nan 0.000 0.472 406 W N 4.376 125.719 121.300 0.072 0.000 2.264 406 W HA 0.046 4.706 4.660 -0.000 0.000 0.331 406 W C 0.198 176.707 176.519 -0.017 0.000 1.364 406 W CA 0.583 57.966 57.345 0.063 0.000 1.253 406 W CB 0.056 29.637 29.460 0.203 0.000 1.215 406 W HN 0.829 nan 8.180 nan 0.000 0.561 407 N N 2.678 121.025 118.700 -0.588 0.000 2.765 407 N HA -0.221 4.518 4.740 -0.000 0.000 0.248 407 N C 0.891 176.248 175.510 -0.256 0.000 1.063 407 N CA 2.182 55.000 53.050 -0.387 0.000 0.862 407 N CB -1.563 36.819 38.487 -0.174 0.000 1.145 407 N HN 0.898 nan 8.380 nan 0.000 0.581 408 G N -0.545 108.132 108.800 -0.204 0.000 2.160 408 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.251 408 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.251 408 G C 0.544 175.326 174.900 -0.198 0.000 1.008 408 G CA 0.682 45.673 45.100 -0.182 0.000 0.724 408 G HN 0.583 nan 8.290 nan 0.000 0.514 409 R N -1.383 119.034 120.500 -0.140 0.000 2.592 409 R HA 0.332 4.671 4.340 -0.000 0.000 0.439 409 R C 0.170 176.568 176.300 0.163 0.000 0.995 409 R CA -0.533 55.599 56.100 0.053 0.000 1.141 409 R CB 0.470 30.782 30.300 0.021 0.000 1.495 409 R HN 0.445 nan 8.270 nan 0.000 0.579 410 Y N 0.736 121.125 120.300 0.148 0.000 3.168 410 Y HA -0.290 4.260 4.550 -0.000 0.000 0.207 410 Y C -0.035 175.935 175.900 0.118 0.000 1.280 410 Y CA 0.352 58.532 58.100 0.133 0.000 1.235 410 Y CB -2.148 36.342 38.460 0.049 0.000 1.370 410 Y HN 0.242 nan 8.280 nan 0.000 0.537 411 E N 0.632 120.995 120.200 0.272 0.000 2.374 411 E HA 0.172 4.522 4.350 -0.000 0.000 0.260 411 E C 0.348 177.055 176.600 0.178 0.000 1.101 411 E CA -1.006 55.535 56.400 0.235 0.000 0.907 411 E CB 0.480 30.369 29.700 0.314 0.000 1.014 411 E HN -0.010 nan 8.360 nan 0.000 0.427 412 K N 1.827 122.257 120.400 0.050 0.000 2.484 412 K HA -0.009 4.311 4.320 -0.000 0.000 0.280 412 K C -0.497 176.052 176.600 -0.085 0.000 1.013 412 K CA 0.455 56.701 56.287 -0.068 0.000 1.029 412 K CB -0.065 32.399 32.500 -0.061 0.000 0.902 412 K HN 0.328 nan 8.250 nan 0.000 0.481 413 Y N 2.540 122.708 120.300 -0.221 0.000 2.610 413 Y HA 0.055 4.605 4.550 -0.000 0.000 0.332 413 Y C -1.493 174.100 175.900 -0.511 0.000 1.201 413 Y CA -2.524 55.262 58.100 -0.523 0.000 1.465 413 Y CB -0.918 37.357 38.460 -0.309 0.000 1.283 413 Y HN 0.433 nan 8.280 nan 0.000 0.563 414 P HA 0.089 nan 4.420 nan 0.000 0.268 414 P C -0.665 176.538 177.300 -0.162 0.000 1.208 414 P CA -0.174 62.745 63.100 -0.302 0.000 0.777 414 P CB 0.518 32.028 31.700 -0.317 0.000 0.875 415 A N 2.493 125.264 122.820 -0.082 0.000 2.603 415 A HA 0.334 4.653 4.320 -0.000 0.000 0.235 415 A C 1.573 179.139 177.584 -0.030 0.000 1.035 415 A CA 0.869 52.882 52.037 -0.039 0.000 0.755 415 A CB -1.484 17.505 19.000 -0.019 0.000 0.954 415 A HN 0.944 nan 8.150 nan 0.000 0.511 416 G N 2.075 110.870 108.800 -0.008 0.000 2.162 416 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 416 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 416 G C 0.429 175.340 174.900 0.018 0.000 0.976 416 G CA 0.592 45.697 45.100 0.009 0.000 0.655 416 G HN 1.301 nan 8.290 nan 0.000 0.533 417 T N 1.274 115.825 114.554 -0.004 0.000 2.853 417 T HA 0.432 4.782 4.350 -0.000 0.000 0.298 417 T C 0.771 175.527 174.700 0.093 0.000 0.978 417 T CA 0.878 62.978 62.100 0.001 0.000 1.152 417 T CB 1.398 70.174 68.868 -0.153 0.000 0.914 417 T HN 0.697 nan 8.240 nan 0.000 0.539 418 S N 3.166 118.963 115.700 0.161 0.000 2.548 418 S HA 0.468 4.938 4.470 -0.000 0.000 0.277 418 S C 0.318 175.150 174.600 0.386 0.000 1.315 418 S CA -0.715 57.641 58.200 0.260 0.000 1.050 418 S CB 0.120 63.457 63.200 0.229 0.000 0.918 418 S HN 0.857 nan 8.310 nan 0.000 0.497 419 T N 2.020 116.779 114.554 0.341 0.000 2.916 419 T HA 0.704 5.054 4.350 -0.000 0.000 0.292 419 T C -1.069 173.591 174.700 -0.068 0.000 1.064 419 T CA -0.762 61.467 62.100 0.215 0.000 1.011 419 T CB 1.314 70.283 68.868 0.169 0.000 1.152 419 T HN 0.567 nan 8.240 nan 0.000 0.510 420 F N 2.191 121.837 119.950 -0.506 0.000 2.612 420 F HA 0.459 4.986 4.527 -0.000 0.000 0.332 420 F C -0.869 174.888 175.800 -0.072 0.000 1.167 420 F CA -1.223 56.364 58.000 -0.688 0.000 0.970 420 F CB 0.788 38.870 39.000 -1.529 0.000 1.234 420 F HN 0.787 nan 8.300 nan 0.000 0.453 421 Y N 4.672 124.671 120.300 -0.502 0.000 3.152 421 Y HA -0.157 4.392 4.550 -0.000 0.000 0.212 421 Y C 1.425 177.271 175.900 -0.090 0.000 1.198 421 Y CA 1.405 59.311 58.100 -0.322 0.000 1.220 421 Y CB -1.204 36.978 38.460 -0.464 0.000 1.326 421 Y HN 1.139 nan 8.280 nan 0.000 0.562 422 G N -1.859 106.988 108.800 0.079 0.000 2.217 422 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.246 422 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.246 422 G C 0.340 175.427 174.900 0.311 0.000 0.990 422 G CA 0.099 45.304 45.100 0.174 0.000 0.627 422 G HN 0.389 nan 8.290 nan 0.000 0.522 423 M N 1.348 121.096 119.600 0.247 0.000 2.274 423 M HA 0.615 5.095 4.480 -0.000 0.000 0.344 423 M C 0.730 177.087 176.300 0.095 0.000 1.161 423 M CA 0.026 55.472 55.300 0.243 0.000 1.126 423 M CB 1.599 34.333 32.600 0.222 0.000 1.522 423 M HN 0.421 nan 8.290 nan 0.000 0.461 424 A N 2.594 125.283 122.820 -0.218 0.000 2.409 424 A HA 0.212 4.532 4.320 -0.000 0.000 0.262 424 A C -0.851 176.833 177.584 0.168 0.000 1.113 424 A CA -0.346 51.491 52.037 -0.333 0.000 0.790 424 A CB -0.041 18.470 19.000 -0.816 0.000 1.046 424 A HN 0.739 nan 8.150 nan 0.000 0.496 425 Y N 3.207 123.652 120.300 0.241 0.000 2.712 425 Y HA 0.296 4.846 4.550 -0.000 0.000 0.333 425 Y C 0.220 176.177 175.900 0.094 0.000 1.225 425 Y CA 0.850 59.089 58.100 0.232 0.000 1.499 425 Y CB 0.584 39.115 38.460 0.118 0.000 1.288 425 Y HN 0.897 nan 8.280 nan 0.000 0.575 426 V N 7.054 126.422 119.914 -0.911 0.000 2.569 426 V HA 0.443 4.563 4.120 -0.000 0.000 0.301 426 V C -2.451 172.887 176.094 -1.259 0.000 1.044 426 V CA -2.171 59.580 62.300 -0.916 0.000 0.874 426 V CB 2.040 33.526 31.823 -0.562 0.000 1.002 426 V HN 0.643 nan 8.190 nan 0.000 0.424 427 P HA -0.075 nan 4.420 nan 0.000 0.216 427 P C 0.272 176.950 177.300 -1.037 0.000 1.150 427 P CA 1.466 64.002 63.100 -0.940 0.000 0.837 427 P CB -0.050 31.357 31.700 -0.489 0.000 0.786 428 H N -1.889 116.921 119.070 -0.434 0.000 2.448 428 H HA 0.327 4.883 4.556 -0.000 0.000 0.237 428 H C -2.459 172.616 175.328 -0.422 0.000 1.391 428 H CA -2.309 53.544 56.048 -0.324 0.000 1.477 428 H CB 0.423 30.096 29.762 -0.149 0.000 1.520 428 H HN 0.076 nan 8.280 nan 0.000 0.502 429 P HA -0.095 nan 4.420 nan 0.000 0.264 429 P C 1.089 177.969 177.300 -0.699 0.000 1.183 429 P CA 0.576 63.345 63.100 -0.552 0.000 0.763 429 P CB 1.191 32.614 31.700 -0.461 0.000 0.807 430 V N 1.209 120.569 119.914 -0.923 0.000 0.535 430 V HA -0.315 3.805 4.120 -0.000 0.000 0.092 430 V C 0.185 175.598 176.094 -1.136 0.000 2.149 430 V CA 1.510 63.091 62.300 -1.198 0.000 3.532 430 V CB -2.219 28.583 31.823 -1.703 0.000 0.823 430 V HN 0.440 nan 8.190 nan 0.000 0.859 431 Y N -0.628 119.351 120.300 -0.535 0.000 2.393 431 Y HA 0.806 5.356 4.550 -0.000 0.000 0.341 431 Y C 0.538 176.321 175.900 -0.194 0.000 0.988 431 Y CA -0.053 57.858 58.100 -0.315 0.000 1.078 431 Y CB 1.848 40.148 38.460 -0.267 0.000 1.203 431 Y HN 0.231 nan 8.280 nan 0.000 0.453 432 A N 1.149 123.975 122.820 0.009 0.000 2.288 432 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 432 A C -0.174 177.406 177.584 -0.007 0.000 1.199 432 A CA 0.549 52.562 52.037 -0.040 0.000 0.891 432 A CB 0.080 19.044 19.000 -0.059 0.000 0.923 432 A HN 0.652 nan 8.150 nan 0.000 0.500 433 D N 0.571 121.014 120.400 0.072 0.000 2.346 433 D HA 0.372 5.012 4.640 -0.000 0.000 0.255 433 D C -2.731 173.639 176.300 0.117 0.000 1.276 433 D CA -1.460 52.590 54.000 0.083 0.000 0.941 433 D CB 1.567 42.425 40.800 0.098 0.000 1.199 433 D HN 0.091 nan 8.370 nan 0.000 0.537 434 P HA 0.352 nan 4.420 nan 0.000 0.276 434 P C 0.586 177.907 177.300 0.036 0.000 1.261 434 P CA -0.463 62.679 63.100 0.069 0.000 0.800 434 P CB 0.623 32.387 31.700 0.106 0.000 1.066 435 G N 0.255 108.990 108.800 -0.109 0.000 2.265 435 G HA2 0.098 4.058 3.960 -0.000 0.000 0.240 435 G HA3 0.098 4.058 3.960 -0.000 0.000 0.240 435 G C 1.245 176.267 174.900 0.204 0.000 1.270 435 G CA 0.193 45.126 45.100 -0.278 0.000 0.901 435 G HN 0.550 nan 8.290 nan 0.000 0.507 436 S N 1.370 117.262 115.700 0.320 0.000 2.493 436 S HA -0.144 4.326 4.470 -0.000 0.000 0.243 436 S C 1.489 176.575 174.600 0.809 0.000 0.991 436 S CA 1.191 59.692 58.200 0.502 0.000 0.957 436 S CB -0.013 63.386 63.200 0.332 0.000 0.756 436 S HN 0.526 nan 8.310 nan 0.000 0.521 437 N N 0.770 119.952 118.700 0.802 0.000 2.275 437 N HA 0.219 4.959 4.740 -0.000 0.000 0.236 437 N C 1.086 177.122 175.510 0.876 0.000 1.154 437 N CA -0.154 53.341 53.050 0.742 0.000 0.866 437 N CB 0.086 38.629 38.487 0.093 0.000 1.093 437 N HN 0.627 nan 8.380 nan 0.000 0.515 438 Q N -1.009 119.251 119.800 0.768 0.000 2.137 438 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 438 Q C -0.196 176.176 176.000 0.619 0.000 0.960 438 Q CA 0.421 56.599 55.803 0.625 0.000 0.847 438 Q CB 0.074 29.056 28.738 0.406 0.000 0.915 438 Q HN 0.379 nan 8.270 nan 0.000 0.448 439 W N 0.895 122.432 121.300 0.393 0.000 2.469 439 W HA -0.010 4.650 4.660 -0.000 0.000 0.321 439 W C 0.446 177.170 176.519 0.342 0.000 1.415 439 W CA -0.681 56.816 57.345 0.253 0.000 1.308 439 W CB 0.086 29.556 29.460 0.016 0.000 1.368 439 W HN 0.183 nan 8.180 nan 0.000 0.546 440 F N 4.969 124.915 119.950 -0.007 0.000 2.307 440 F HA -0.051 4.476 4.527 -0.000 0.000 0.301 440 F C 1.961 177.483 175.800 -0.465 0.000 1.076 440 F CA 2.175 60.127 58.000 -0.080 0.000 1.383 440 F CB -0.467 38.486 39.000 -0.078 0.000 1.055 440 F HN 0.453 nan 8.300 nan 0.000 0.526 441 G N -0.297 107.501 108.800 -1.671 0.000 2.450 441 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 441 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 441 G C 1.708 175.658 174.900 -1.584 0.000 1.130 441 G CA 0.868 44.552 45.100 -2.360 0.000 0.760 441 G HN 0.472 nan 8.290 nan 0.000 0.557 442 F N 0.616 120.060 119.950 -0.843 0.000 2.216 442 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 442 F C 3.090 178.891 175.800 0.002 0.000 1.085 442 F CA 0.865 58.701 58.000 -0.273 0.000 1.326 442 F CB 0.070 39.003 39.000 -0.111 0.000 1.027 442 F HN 0.073 nan 8.300 nan 0.000 0.497 443 Q N 0.498 120.469 119.800 0.286 0.000 2.030 443 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 443 Q C 2.594 178.778 176.000 0.306 0.000 0.986 443 Q CA 1.697 57.785 55.803 0.476 0.000 0.843 443 Q CB -1.027 27.903 28.738 0.320 0.000 0.904 443 Q HN 0.462 nan 8.270 nan 0.000 0.420 444 A N 0.406 123.234 122.820 0.013 0.000 1.858 444 A HA -0.179 4.140 4.320 -0.000 0.000 0.216 444 A C 1.854 179.623 177.584 0.309 0.000 1.190 444 A CA 1.316 53.478 52.037 0.208 0.000 0.617 444 A CB -1.114 17.970 19.000 0.139 0.000 0.827 444 A HN 0.397 nan 8.150 nan 0.000 0.443 445 W N 0.113 121.448 121.300 0.059 0.000 2.321 445 W HA -0.130 4.530 4.660 -0.000 0.000 0.306 445 W C 2.990 179.576 176.519 0.111 0.000 1.217 445 W CA 1.336 58.753 57.345 0.120 0.000 1.257 445 W CB -1.088 28.441 29.460 0.114 0.000 1.145 445 W HN 0.368 nan 8.180 nan 0.000 0.509 446 S N -1.501 114.413 115.700 0.358 0.000 2.421 446 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 446 S C 1.879 176.600 174.600 0.202 0.000 1.035 446 S CA 0.738 59.116 58.200 0.297 0.000 0.953 446 S CB -0.246 63.116 63.200 0.270 0.000 0.810 446 S HN -0.119 nan 8.310 nan 0.000 0.497 447 M N 1.601 121.198 119.600 -0.005 0.000 2.296 447 M HA 0.023 4.503 4.480 -0.000 0.000 0.265 447 M C 2.138 178.282 176.300 -0.260 0.000 1.064 447 M CA 0.967 56.008 55.300 -0.432 0.000 1.109 447 M CB -1.294 30.451 32.600 -1.425 0.000 1.396 447 M HN 0.415 nan 8.290 nan 0.000 0.430 448 Q N 1.125 120.900 119.800 -0.041 0.000 2.152 448 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 448 Q C 1.915 177.941 176.000 0.043 0.000 0.985 448 Q CA 1.740 57.588 55.803 0.075 0.000 0.863 448 Q CB -0.113 28.758 28.738 0.220 0.000 0.904 448 Q HN 0.478 nan 8.270 nan 0.000 0.422 449 R N -0.783 119.740 120.500 0.038 0.000 2.092 449 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 449 R C 2.430 178.749 176.300 0.032 0.000 1.119 449 R CA 1.231 57.356 56.100 0.041 0.000 0.970 449 R CB -0.187 30.172 30.300 0.100 0.000 0.864 449 R HN 0.076 nan 8.270 nan 0.000 0.440 450 V N 0.856 120.718 119.914 -0.086 0.000 2.515 450 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 450 V C 2.194 178.308 176.094 0.034 0.000 1.058 450 V CA 1.385 63.603 62.300 -0.137 0.000 1.064 450 V CB -0.321 31.221 31.823 -0.468 0.000 0.675 450 V HN 0.266 nan 8.190 nan 0.000 0.461 451 M N -0.446 119.165 119.600 0.018 0.000 2.099 451 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 451 M C 2.133 178.502 176.300 0.114 0.000 1.067 451 M CA 1.466 56.844 55.300 0.129 0.000 1.124 451 M CB -1.302 31.387 32.600 0.149 0.000 1.353 451 M HN 0.407 nan 8.290 nan 0.000 0.410 452 E N -0.823 119.373 120.200 -0.006 0.000 2.153 452 E HA -0.234 4.115 4.350 -0.000 0.000 0.194 452 E C 1.971 178.537 176.600 -0.056 0.000 0.988 452 E CA 1.224 57.526 56.400 -0.162 0.000 0.811 452 E CB -0.328 29.015 29.700 -0.594 0.000 0.746 452 E HN 0.542 nan 8.360 nan 0.000 0.466 453 Y N 0.194 120.504 120.300 0.017 0.000 2.163 453 Y HA -0.311 4.239 4.550 -0.000 0.000 0.288 453 Y C 2.185 178.007 175.900 -0.131 0.000 1.136 453 Y CA 1.652 59.754 58.100 0.004 0.000 1.147 453 Y CB -0.449 37.995 38.460 -0.027 0.000 0.987 453 Y HN 0.050 nan 8.280 nan 0.000 0.509 454 Y N 0.362 120.546 120.300 -0.193 0.000 2.181 454 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 454 Y C 2.424 178.196 175.900 -0.214 0.000 1.146 454 Y CA 1.649 59.583 58.100 -0.277 0.000 1.164 454 Y CB -0.729 37.709 38.460 -0.036 0.000 0.982 454 Y HN 0.280 nan 8.280 nan 0.000 0.515 455 L N 0.035 121.227 121.223 -0.051 0.000 1.989 455 L HA -0.227 4.112 4.340 -0.000 0.000 0.211 455 L C 1.878 178.863 176.870 0.192 0.000 1.071 455 L CA 2.091 56.977 54.840 0.077 0.000 0.749 455 L CB -0.356 41.747 42.059 0.074 0.000 0.890 455 L HN 0.273 nan 8.230 nan 0.000 0.431 456 E N -1.096 119.088 120.200 -0.026 0.000 2.481 456 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 456 E C 1.665 178.094 176.600 -0.284 0.000 1.047 456 E CA 1.166 57.535 56.400 -0.053 0.000 0.867 456 E CB 0.281 29.902 29.700 -0.132 0.000 0.858 456 E HN 0.675 nan 8.360 nan 0.000 0.513 457 T N -4.803 109.380 114.554 -0.619 0.000 3.010 457 T HA 0.273 4.623 4.350 -0.000 0.000 0.252 457 T C 1.601 175.611 174.700 -1.150 0.000 0.963 457 T CA 0.637 62.278 62.100 -0.766 0.000 0.952 457 T CB 0.543 68.729 68.868 -1.137 0.000 1.182 457 T HN 0.108 nan 8.240 nan 0.000 0.495 458 G N 2.238 109.989 108.800 -1.748 0.000 2.153 458 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.252 458 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.252 458 G C -0.163 174.146 174.900 -0.986 0.000 0.994 458 G CA 0.266 43.869 45.100 -2.494 0.000 0.698 458 G HN 0.801 nan 8.290 nan 0.000 0.521 459 D N 1.029 121.079 120.400 -0.585 0.000 2.455 459 D HA 0.243 4.883 4.640 -0.000 0.000 0.265 459 D C 1.841 178.181 176.300 0.066 0.000 1.284 459 D CA 0.800 54.706 54.000 -0.155 0.000 0.944 459 D CB 0.287 41.097 40.800 0.016 0.000 1.121 459 D HN 0.454 nan 8.370 nan 0.000 0.525 460 S N 1.745 117.471 115.700 0.042 0.000 2.515 460 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 460 S C 1.758 176.412 174.600 0.090 0.000 0.987 460 S CA 0.807 59.067 58.200 0.101 0.000 0.936 460 S CB -0.296 62.949 63.200 0.075 0.000 0.766 460 S HN 0.393 nan 8.310 nan 0.000 0.528 461 S N 0.088 115.849 115.700 0.103 0.000 2.555 461 S HA 0.155 4.625 4.470 -0.000 0.000 0.230 461 S C 1.324 175.981 174.600 0.096 0.000 0.978 461 S CA 0.433 58.699 58.200 0.111 0.000 0.934 461 S CB -0.105 63.176 63.200 0.135 0.000 0.766 461 S HN 0.365 nan 8.310 nan 0.000 0.533 462 V N 0.339 120.294 119.914 0.069 0.000 3.578 462 V HA 0.275 4.395 4.120 -0.000 0.000 0.290 462 V C 1.983 178.004 176.094 -0.123 0.000 1.376 462 V CA 0.164 62.466 62.300 0.004 0.000 1.083 462 V CB -0.101 31.774 31.823 0.086 0.000 0.911 462 V HN 0.367 nan 8.190 nan 0.000 0.433 463 K N 0.519 120.844 120.400 -0.124 0.000 2.002 463 K HA -0.172 4.147 4.320 -0.000 0.000 0.209 463 K C 1.915 178.473 176.600 -0.071 0.000 1.048 463 K CA 1.957 58.142 56.287 -0.170 0.000 0.930 463 K CB -0.104 32.365 32.500 -0.051 0.000 0.714 463 K HN 0.398 nan 8.250 nan 0.000 0.438 464 N N 1.174 119.870 118.700 -0.007 0.000 2.104 464 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 464 N C 1.737 177.236 175.510 -0.019 0.000 1.024 464 N CA 0.902 53.967 53.050 0.024 0.000 0.853 464 N CB -0.378 38.156 38.487 0.078 0.000 1.008 464 N HN 0.096 nan 8.380 nan 0.000 0.424 465 L N 0.893 122.071 121.223 -0.075 0.000 2.012 465 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 465 L C 1.961 178.797 176.870 -0.057 0.000 1.073 465 L CA 1.399 56.167 54.840 -0.120 0.000 0.748 465 L CB -0.445 41.523 42.059 -0.152 0.000 0.891 465 L HN 0.103 nan 8.230 nan 0.000 0.431 466 I N -0.564 119.949 120.570 -0.095 0.000 2.142 466 I HA -0.318 3.852 4.170 -0.000 0.000 0.240 466 I C 2.534 178.617 176.117 -0.057 0.000 1.078 466 I CA 1.627 62.870 61.300 -0.095 0.000 1.343 466 I CB -0.286 37.600 38.000 -0.189 0.000 1.046 466 I HN 0.251 nan 8.210 nan 0.000 0.405 467 K N 0.632 121.005 120.400 -0.046 0.000 2.026 467 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 467 K C 2.172 178.797 176.600 0.041 0.000 1.048 467 K CA 1.490 57.770 56.287 -0.012 0.000 0.929 467 K CB -0.155 32.383 32.500 0.063 0.000 0.713 467 K HN 0.111 nan 8.250 nan 0.000 0.439 468 K N -0.173 120.271 120.400 0.074 0.000 2.103 468 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 468 K C 1.892 178.596 176.600 0.174 0.000 1.048 468 K CA 1.651 58.002 56.287 0.107 0.000 0.930 468 K CB -0.179 32.376 32.500 0.093 0.000 0.716 468 K HN 0.281 nan 8.250 nan 0.000 0.444 469 W N 0.298 121.604 121.300 0.010 0.000 2.418 469 W HA -0.137 4.523 4.660 -0.000 0.000 0.292 469 W C 1.498 178.099 176.519 0.136 0.000 1.213 469 W CA 0.892 58.303 57.345 0.110 0.000 1.283 469 W CB -0.033 29.463 29.460 0.060 0.000 1.119 469 W HN -0.185 nan 8.180 nan 0.000 0.542 470 V N 1.062 121.056 119.914 0.133 0.000 2.295 470 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 470 V C 2.029 178.065 176.094 -0.097 0.000 1.049 470 V CA 2.338 64.588 62.300 -0.084 0.000 1.024 470 V CB -0.990 30.681 31.823 -0.253 0.000 0.648 470 V HN 0.051 nan 8.190 nan 0.000 0.447 471 D N -0.965 119.429 120.400 -0.010 0.000 2.106 471 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 471 D C 1.659 177.966 176.300 0.011 0.000 0.997 471 D CA 1.750 55.760 54.000 0.015 0.000 0.834 471 D CB -0.407 40.430 40.800 0.063 0.000 0.956 471 D HN 0.639 nan 8.370 nan 0.000 0.448 472 W N 1.531 122.733 121.300 -0.163 0.000 2.333 472 W HA -0.215 4.445 4.660 -0.000 0.000 0.316 472 W C 2.203 178.574 176.519 -0.247 0.000 1.215 472 W CA 1.257 58.491 57.345 -0.186 0.000 1.278 472 W CB -0.699 28.646 29.460 -0.192 0.000 1.154 472 W HN -0.191 nan 8.180 nan 0.000 0.486 473 V N 1.338 120.924 119.914 -0.547 0.000 2.490 473 V HA -0.335 3.785 4.120 -0.000 0.000 0.250 473 V C 2.362 178.194 176.094 -0.437 0.000 1.061 473 V CA 1.971 63.833 62.300 -0.730 0.000 1.064 473 V CB -0.667 30.642 31.823 -0.858 0.000 0.670 473 V HN 0.206 nan 8.190 nan 0.000 0.461 474 M N 0.248 119.679 119.600 -0.281 0.000 2.200 474 M HA -0.065 4.415 4.480 -0.000 0.000 0.265 474 M C 2.312 178.509 176.300 -0.172 0.000 1.066 474 M CA 1.954 57.150 55.300 -0.173 0.000 1.127 474 M CB -1.171 31.372 32.600 -0.094 0.000 1.379 474 M HN 0.601 nan 8.290 nan 0.000 0.420 475 S N -0.805 114.786 115.700 -0.182 0.000 2.607 475 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 475 S C 1.317 175.796 174.600 -0.202 0.000 0.969 475 S CA 0.451 58.562 58.200 -0.149 0.000 0.927 475 S CB -0.031 63.117 63.200 -0.086 0.000 0.772 475 S HN 0.372 nan 8.310 nan 0.000 0.533 476 E N 0.353 120.375 120.200 -0.297 0.000 2.474 476 E HA 0.359 4.709 4.350 -0.000 0.000 0.215 476 E C 0.097 176.567 176.600 -0.217 0.000 0.867 476 E CA -0.150 56.076 56.400 -0.291 0.000 1.135 476 E CB 0.394 29.763 29.700 -0.552 0.000 1.147 476 E HN 0.540 nan 8.360 nan 0.000 0.534 477 I N 2.903 123.337 120.570 -0.226 0.000 2.618 477 I HA -0.052 4.117 4.170 -0.000 0.000 0.284 477 I C 0.461 176.466 176.117 -0.186 0.000 1.146 477 I CA 0.458 61.664 61.300 -0.157 0.000 1.425 477 I CB 0.414 38.345 38.000 -0.116 0.000 1.383 477 I HN -0.427 nan 8.210 nan 0.000 0.562 478 K N 8.240 128.509 120.400 -0.218 0.000 2.263 478 K HA 0.508 4.828 4.320 -0.000 0.000 0.272 478 K C -0.880 175.442 176.600 -0.464 0.000 1.033 478 K CA -0.418 55.607 56.287 -0.437 0.000 0.884 478 K CB 1.381 33.510 32.500 -0.619 0.000 1.107 478 K HN 0.504 nan 8.250 nan 0.000 0.460 479 L N 4.394 125.369 121.223 -0.413 0.000 2.287 479 L HA 0.428 4.768 4.340 -0.000 0.000 0.287 479 L C -0.534 176.162 176.870 -0.291 0.000 1.022 479 L CA -0.994 53.696 54.840 -0.251 0.000 0.814 479 L CB 0.453 42.453 42.059 -0.099 0.000 1.217 479 L HN 0.458 nan 8.230 nan 0.000 0.420 480 Y N 1.114 121.448 120.300 0.056 0.000 2.387 480 Y HA 0.164 4.714 4.550 -0.000 0.000 0.330 480 Y C 1.196 177.115 175.900 0.032 0.000 1.133 480 Y CA -0.828 57.289 58.100 0.028 0.000 1.152 480 Y CB 1.345 39.819 38.460 0.023 0.000 1.215 480 Y HN 0.564 nan 8.280 nan 0.000 0.466 481 D N 0.801 121.313 120.400 0.187 0.000 2.190 481 D HA -0.188 4.452 4.640 -0.000 0.000 0.200 481 D C 1.153 177.510 176.300 0.096 0.000 0.992 481 D CA 1.747 55.808 54.000 0.101 0.000 0.854 481 D CB -0.200 40.640 40.800 0.066 0.000 0.936 481 D HN 0.730 nan 8.370 nan 0.000 0.462 482 D N -0.757 119.714 120.400 0.119 0.000 2.336 482 D HA 0.093 4.732 4.640 -0.000 0.000 0.229 482 D C 1.426 177.821 176.300 0.158 0.000 1.061 482 D CA 0.736 54.797 54.000 0.103 0.000 0.875 482 D CB -0.264 40.571 40.800 0.059 0.000 0.904 482 D HN 0.216 nan 8.370 nan 0.000 0.525 483 G N -0.135 108.777 108.800 0.185 0.000 2.141 483 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 483 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 483 G C 0.420 175.523 174.900 0.339 0.000 0.982 483 G CA 0.535 45.769 45.100 0.223 0.000 0.662 483 G HN 0.795 nan 8.290 nan 0.000 0.527 484 T N -1.318 113.443 114.554 0.345 0.000 2.897 484 T HA 0.857 5.207 4.350 -0.000 0.000 0.278 484 T C -0.103 174.930 174.700 0.556 0.000 0.981 484 T CA -0.204 62.144 62.100 0.415 0.000 0.973 484 T CB 2.329 71.339 68.868 0.236 0.000 1.092 484 T HN 1.543 nan 8.240 nan 0.000 0.543 485 F N -1.728 118.421 119.950 0.331 0.000 2.662 485 F HA 0.890 5.416 4.527 -0.000 0.000 0.312 485 F C -1.215 174.716 175.800 0.219 0.000 1.113 485 F CA -1.580 56.529 58.000 0.181 0.000 0.951 485 F CB 1.113 40.182 39.000 0.116 0.000 1.344 485 F HN 0.929 nan 8.300 nan 0.000 0.462 486 A N 2.060 124.870 122.820 -0.016 0.000 2.515 486 A HA 0.850 5.170 4.320 -0.000 0.000 0.298 486 A C -1.271 176.374 177.584 0.102 0.000 1.059 486 A CA -0.735 51.254 52.037 -0.080 0.000 0.698 486 A CB 1.523 20.546 19.000 0.038 0.000 1.289 486 A HN 1.257 nan 8.150 nan 0.000 0.404 487 I N -1.285 119.352 120.570 0.112 0.000 2.892 487 I HA 0.703 4.873 4.170 -0.000 0.000 0.306 487 I C -2.858 173.176 176.117 -0.139 0.000 1.078 487 I CA -3.144 58.166 61.300 0.017 0.000 1.032 487 I CB 2.142 40.173 38.000 0.052 0.000 1.229 487 I HN 0.228 nan 8.210 nan 0.000 0.435 488 P HA -0.037 nan 4.420 nan 0.000 0.263 488 P C -0.092 176.879 177.300 -0.548 0.000 1.175 488 P CA 0.442 63.016 63.100 -0.878 0.000 0.761 488 P CB 0.861 31.654 31.700 -1.512 0.000 0.794 489 S N 1.884 117.400 115.700 -0.306 0.000 3.249 489 S HA 0.114 4.584 4.470 -0.000 0.000 0.237 489 S C -0.020 174.662 174.600 0.137 0.000 1.007 489 S CA 0.057 58.259 58.200 0.003 0.000 0.811 489 S CB 0.045 63.253 63.200 0.013 0.000 0.832 489 S HN 0.312 nan 8.310 nan 0.000 0.573 490 D N 1.479 121.907 120.400 0.046 0.000 2.256 490 D HA 0.580 5.219 4.640 -0.000 0.000 0.246 490 D C -1.244 175.109 176.300 0.087 0.000 1.042 490 D CA -0.233 53.848 54.000 0.135 0.000 0.841 490 D CB 1.758 42.618 40.800 0.100 0.000 1.223 490 D HN 0.174 nan 8.370 nan 0.000 0.470 491 L N 1.321 122.663 121.223 0.199 0.000 2.342 491 L HA 0.448 4.787 4.340 -0.000 0.000 0.271 491 L C 0.087 176.995 176.870 0.062 0.000 1.008 491 L CA -0.624 54.273 54.840 0.095 0.000 0.818 491 L CB 1.515 43.704 42.059 0.218 0.000 1.296 491 L HN 0.346 nan 8.230 nan 0.000 0.427 492 E N 1.116 121.227 120.200 -0.148 0.000 2.234 492 E HA 0.425 4.775 4.350 -0.000 0.000 0.266 492 E C -1.851 174.614 176.600 -0.224 0.000 0.877 492 E CA -0.534 55.843 56.400 -0.038 0.000 0.758 492 E CB 1.214 30.933 29.700 0.031 0.000 1.170 492 E HN 0.447 nan 8.360 nan 0.000 0.415 493 W N 2.085 123.473 121.300 0.147 0.000 2.627 493 W HA 0.516 5.176 4.660 -0.000 0.000 0.339 493 W C -0.322 176.254 176.519 0.095 0.000 1.058 493 W CA -0.438 56.958 57.345 0.085 0.000 1.223 493 W CB 2.031 31.497 29.460 0.009 0.000 1.389 493 W HN 0.453 nan 8.180 nan 0.000 0.541 494 S N 1.219 117.111 115.700 0.320 0.000 2.556 494 S HA 0.887 5.357 4.470 -0.000 0.000 0.271 494 S C -0.126 174.577 174.600 0.171 0.000 1.135 494 S CA -0.328 58.010 58.200 0.230 0.000 0.858 494 S CB 1.435 64.748 63.200 0.188 0.000 1.114 494 S HN 1.660 nan 8.310 nan 0.000 0.468 495 G N 1.208 110.084 108.800 0.127 0.000 2.693 495 G HA2 0.005 3.964 3.960 -0.000 0.000 0.226 495 G HA3 0.005 3.964 3.960 -0.000 0.000 0.226 495 G C -1.167 173.705 174.900 -0.046 0.000 1.354 495 G CA -0.317 44.804 45.100 0.036 0.000 0.873 495 G HN 0.989 nan 8.290 nan 0.000 0.562 496 Q N 0.154 119.832 119.800 -0.204 0.000 2.379 496 Q HA 0.509 4.849 4.340 -0.000 0.000 0.278 496 Q C -2.530 173.152 176.000 -0.532 0.000 1.068 496 Q CA -1.712 53.795 55.803 -0.492 0.000 0.816 496 Q CB 3.329 31.930 28.738 -0.227 0.000 1.387 496 Q HN 0.561 nan 8.270 nan 0.000 0.413 497 P HA -0.008 nan 4.420 nan 0.000 0.272 497 P C -0.791 176.397 177.300 -0.188 0.000 1.223 497 P CA -0.124 62.646 63.100 -0.549 0.000 0.784 497 P CB 0.642 31.725 31.700 -1.028 0.000 0.923 498 D N 0.383 120.772 120.400 -0.019 0.000 2.362 498 D HA 0.039 4.679 4.640 -0.000 0.000 0.238 498 D C 0.332 176.863 176.300 0.385 0.000 1.212 498 D CA 0.551 54.625 54.000 0.123 0.000 0.902 498 D CB -0.018 40.832 40.800 0.083 0.000 1.180 498 D HN 0.232 nan 8.370 nan 0.000 0.445 499 T N 1.360 116.098 114.554 0.305 0.000 2.867 499 T HA -0.064 4.286 4.350 -0.000 0.000 0.297 499 T C 0.271 175.171 174.700 0.334 0.000 0.989 499 T CA -0.269 62.034 62.100 0.338 0.000 1.159 499 T CB 0.192 69.157 68.868 0.162 0.000 0.928 499 T HN 0.226 nan 8.240 nan 0.000 0.538 500 W N 3.369 124.696 121.300 0.043 0.000 2.322 500 W HA 0.074 4.734 4.660 -0.000 0.000 0.328 500 W C 0.270 176.731 176.519 -0.096 0.000 1.395 500 W CA 0.074 57.402 57.345 -0.028 0.000 1.267 500 W CB 0.479 29.798 29.460 -0.235 0.000 1.259 500 W HN 0.580 nan 8.180 nan 0.000 0.560 501 T N 3.382 117.572 114.554 -0.607 0.000 3.192 501 T HA 0.209 4.559 4.350 -0.000 0.000 0.295 501 T C 0.819 175.085 174.700 -0.723 0.000 0.947 501 T CA 0.533 62.324 62.100 -0.515 0.000 0.916 501 T CB -0.171 68.543 68.868 -0.256 0.000 1.169 501 T HN 0.833 nan 8.240 nan 0.000 0.540 502 G N 1.240 109.206 108.800 -1.389 0.000 2.179 502 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 502 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 502 G C 0.130 174.571 174.900 -0.765 0.000 0.990 502 G CA 0.156 44.653 45.100 -1.006 0.000 0.646 502 G HN 0.568 nan 8.290 nan 0.000 0.517 503 T N -0.327 113.705 114.554 -0.870 0.000 2.993 503 T HA 0.447 4.797 4.350 -0.000 0.000 0.312 503 T C -1.281 173.421 174.700 0.003 0.000 1.115 503 T CA -0.546 61.397 62.100 -0.262 0.000 1.027 503 T CB 2.072 70.856 68.868 -0.141 0.000 1.116 503 T HN 0.494 nan 8.240 nan 0.000 0.464 504 Y N 3.162 123.588 120.300 0.210 0.000 2.480 504 Y HA 0.291 4.841 4.550 -0.000 0.000 0.341 504 Y C 1.743 177.730 175.900 0.145 0.000 1.031 504 Y CA -0.283 58.003 58.100 0.311 0.000 1.295 504 Y CB 0.737 39.377 38.460 0.299 0.000 1.162 504 Y HN 0.799 nan 8.280 nan 0.000 0.523 505 T N 1.097 115.465 114.554 -0.310 0.000 3.100 505 T HA 0.221 4.571 4.350 -0.000 0.000 0.253 505 T C 1.459 175.830 174.700 -0.547 0.000 1.118 505 T CA 0.552 62.456 62.100 -0.326 0.000 1.058 505 T CB -0.354 68.412 68.868 -0.169 0.000 0.953 505 T HN 1.268 nan 8.240 nan 0.000 0.515 506 G N 1.866 109.902 108.800 -1.274 0.000 2.195 506 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.246 506 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.246 506 G C 0.216 174.840 174.900 -0.459 0.000 0.984 506 G CA -0.121 44.460 45.100 -0.865 0.000 0.633 506 G HN 0.603 nan 8.290 nan 0.000 0.525 507 N N -0.334 118.122 118.700 -0.407 0.000 2.696 507 N HA -0.156 4.583 4.740 -0.000 0.000 0.271 507 N C -0.838 174.544 175.510 -0.214 0.000 0.997 507 N CA 1.315 54.232 53.050 -0.221 0.000 0.801 507 N CB -0.285 38.109 38.487 -0.156 0.000 0.913 507 N HN 0.498 nan 8.380 nan 0.000 0.557 508 P HA -0.090 nan 4.420 nan 0.000 0.226 508 P C 0.280 177.459 177.300 -0.202 0.000 1.153 508 P CA 1.152 64.176 63.100 -0.127 0.000 0.777 508 P CB 0.210 31.872 31.700 -0.063 0.000 0.794 509 N N -0.978 117.571 118.700 -0.252 0.000 2.230 509 N HA 0.120 4.860 4.740 -0.000 0.000 0.202 509 N C -0.157 175.079 175.510 -0.456 0.000 1.119 509 N CA -0.302 52.585 53.050 -0.271 0.000 0.851 509 N CB 0.080 38.510 38.487 -0.096 0.000 0.990 509 N HN 0.035 nan 8.380 nan 0.000 0.497 510 L N 1.757 122.643 121.223 -0.562 0.000 2.265 510 L HA 0.341 4.681 4.340 -0.000 0.000 0.289 510 L C -1.164 175.408 176.870 -0.496 0.000 1.033 510 L CA -0.559 54.025 54.840 -0.425 0.000 0.814 510 L CB 0.119 41.974 42.059 -0.341 0.000 1.203 510 L HN 0.131 nan 8.230 nan 0.000 0.423 511 H N 3.966 123.051 119.070 0.025 0.000 2.600 511 H HA 0.571 5.127 4.556 -0.000 0.000 0.357 511 H C -0.998 174.260 175.328 -0.116 0.000 1.106 511 H CA -0.630 55.394 56.048 -0.040 0.000 1.193 511 H CB 2.453 32.195 29.762 -0.034 0.000 1.594 511 H HN 0.443 nan 8.280 nan 0.000 0.526 512 V N 3.259 123.039 119.914 -0.224 0.000 2.680 512 V HA 0.522 4.642 4.120 -0.000 0.000 0.309 512 V C -0.529 175.399 176.094 -0.277 0.000 1.052 512 V CA -0.732 61.182 62.300 -0.643 0.000 0.908 512 V CB 2.270 33.263 31.823 -1.383 0.000 1.001 512 V HN 0.815 nan 8.190 nan 0.000 0.431 513 R N 4.605 124.959 120.500 -0.243 0.000 2.561 513 R HA 0.673 5.013 4.340 -0.000 0.000 0.297 513 R C -1.748 174.497 176.300 -0.093 0.000 0.969 513 R CA -0.592 55.456 56.100 -0.086 0.000 0.879 513 R CB 2.155 32.425 30.300 -0.050 0.000 1.178 513 R HN 0.584 nan 8.270 nan 0.000 0.445 514 V N 4.314 124.194 119.914 -0.056 0.000 2.470 514 V HA 0.063 4.183 4.120 -0.000 0.000 0.276 514 V C 1.354 177.339 176.094 -0.182 0.000 1.040 514 V CA 0.396 62.587 62.300 -0.182 0.000 1.008 514 V CB 1.029 32.638 31.823 -0.357 0.000 0.990 514 V HN 1.054 nan 8.190 nan 0.000 0.477 515 T N -0.071 114.388 114.554 -0.157 0.000 3.015 515 T HA 0.183 4.533 4.350 -0.000 0.000 0.250 515 T C 0.653 175.307 174.700 -0.077 0.000 1.057 515 T CA 0.464 62.522 62.100 -0.070 0.000 1.066 515 T CB 0.310 69.173 68.868 -0.009 0.000 0.959 515 T HN 0.759 nan 8.240 nan 0.000 0.488 516 S N -0.363 115.220 115.700 -0.195 0.000 2.618 516 S HA 0.755 5.225 4.470 -0.000 0.000 0.277 516 S C -1.945 172.422 174.600 -0.389 0.000 1.138 516 S CA -0.961 57.160 58.200 -0.131 0.000 0.844 516 S CB 1.464 64.661 63.200 -0.005 0.000 1.127 516 S HN 0.262 nan 8.310 nan 0.000 0.474 517 Y N -0.503 119.782 120.300 -0.025 0.000 2.536 517 Y HA 0.848 5.398 4.550 -0.000 0.000 0.347 517 Y C 0.866 176.745 175.900 -0.036 0.000 1.000 517 Y CA -0.062 58.003 58.100 -0.058 0.000 1.051 517 Y CB 2.479 40.900 38.460 -0.064 0.000 1.259 517 Y HN 1.238 nan 8.280 nan 0.000 0.468 518 G N -0.597 108.260 108.800 0.094 0.000 2.664 518 G HA2 0.411 4.371 3.960 -0.000 0.000 0.303 518 G HA3 0.411 4.371 3.960 -0.000 0.000 0.303 518 G C -1.035 173.817 174.900 -0.080 0.000 1.243 518 G CA -0.552 44.559 45.100 0.020 0.000 0.826 518 G HN 0.399 nan 8.290 nan 0.000 0.498 519 T N 0.635 115.112 114.554 -0.128 0.000 3.672 519 T HA 0.230 4.580 4.350 -0.000 0.000 0.296 519 T C -0.863 173.701 174.700 -0.228 0.000 0.979 519 T CA -0.302 61.601 62.100 -0.329 0.000 1.013 519 T CB -0.380 68.278 68.868 -0.351 0.000 1.184 519 T HN 0.433 nan 8.240 nan 0.000 0.477 520 D N 1.836 122.211 120.400 -0.042 0.000 2.358 520 D HA 0.106 4.746 4.640 -0.000 0.000 0.258 520 D C 1.383 177.598 176.300 -0.143 0.000 1.223 520 D CA -0.054 53.923 54.000 -0.037 0.000 0.886 520 D CB 0.856 41.730 40.800 0.124 0.000 1.120 520 D HN 0.385 nan 8.370 nan 0.000 0.482 521 L N 3.630 124.644 121.223 -0.347 0.000 2.027 521 L HA -0.033 4.307 4.340 -0.000 0.000 0.206 521 L C 2.576 179.200 176.870 -0.410 0.000 1.074 521 L CA 1.205 55.867 54.840 -0.296 0.000 0.745 521 L CB -0.455 41.476 42.059 -0.213 0.000 0.898 521 L HN 0.503 nan 8.230 nan 0.000 0.433 522 G N -0.171 107.965 108.800 -1.107 0.000 2.446 522 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 522 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 522 G C 1.557 176.505 174.900 0.080 0.000 1.168 522 G CA 0.999 45.680 45.100 -0.698 0.000 0.771 522 G HN 0.202 nan 8.290 nan 0.000 0.551 523 V N 1.336 121.289 119.914 0.065 0.000 2.626 523 V HA -0.034 4.086 4.120 -0.000 0.000 0.252 523 V C 3.205 179.420 176.094 0.202 0.000 1.067 523 V CA 1.684 64.105 62.300 0.202 0.000 1.081 523 V CB -0.539 31.376 31.823 0.152 0.000 0.686 523 V HN 0.488 nan 8.190 nan 0.000 0.468 524 A N 0.808 123.706 122.820 0.130 0.000 1.873 524 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 524 A C 2.440 180.077 177.584 0.089 0.000 1.186 524 A CA 1.807 53.911 52.037 0.112 0.000 0.616 524 A CB -1.197 17.836 19.000 0.054 0.000 0.823 524 A HN 0.490 nan 8.150 nan 0.000 0.442 525 G N -0.857 107.995 108.800 0.087 0.000 2.418 525 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.217 525 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.217 525 G C 1.958 176.964 174.900 0.177 0.000 1.158 525 G CA 1.584 46.745 45.100 0.102 0.000 0.771 525 G HN 0.597 nan 8.290 nan 0.000 0.545 526 S N -0.201 115.677 115.700 0.297 0.000 2.368 526 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 526 S C 2.329 177.122 174.600 0.321 0.000 1.029 526 S CA 1.293 59.728 58.200 0.392 0.000 0.988 526 S CB -0.258 63.328 63.200 0.643 0.000 0.838 526 S HN 0.180 nan 8.310 nan 0.000 0.462 527 L N 1.817 123.214 121.223 0.290 0.000 2.083 527 L HA 0.169 4.509 4.340 -0.000 0.000 0.209 527 L C 2.536 179.541 176.870 0.224 0.000 1.083 527 L CA 1.933 56.952 54.840 0.297 0.000 0.752 527 L CB -1.244 40.992 42.059 0.294 0.000 0.899 527 L HN 0.360 nan 8.230 nan 0.000 0.433 528 A N -0.493 122.415 122.820 0.147 0.000 1.873 528 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 528 A C 2.221 179.870 177.584 0.108 0.000 1.186 528 A CA 1.660 53.749 52.037 0.086 0.000 0.616 528 A CB -0.941 18.070 19.000 0.018 0.000 0.823 528 A HN 0.596 nan 8.150 nan 0.000 0.442 529 N N 0.839 119.612 118.700 0.122 0.000 2.036 529 N HA -0.206 4.534 4.740 -0.000 0.000 0.195 529 N C 1.850 177.461 175.510 0.168 0.000 1.037 529 N CA 2.303 55.426 53.050 0.122 0.000 0.855 529 N CB -0.548 38.014 38.487 0.124 0.000 1.033 529 N HN 0.374 nan 8.380 nan 0.000 0.423 530 A N 1.009 123.964 122.820 0.225 0.000 1.883 530 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 530 A C 2.645 180.404 177.584 0.291 0.000 1.186 530 A CA 1.332 53.520 52.037 0.252 0.000 0.624 530 A CB -0.849 18.343 19.000 0.321 0.000 0.822 530 A HN 0.383 nan 8.150 nan 0.000 0.444 531 L N -0.969 120.423 121.223 0.282 0.000 2.056 531 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 531 L C 3.105 180.137 176.870 0.271 0.000 1.078 531 L CA 0.961 55.974 54.840 0.288 0.000 0.749 531 L CB -0.546 41.628 42.059 0.191 0.000 0.901 531 L HN 0.438 nan 8.230 nan 0.000 0.433 532 A N -0.361 122.575 122.820 0.192 0.000 1.858 532 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 532 A C 2.382 180.097 177.584 0.220 0.000 1.190 532 A CA 2.408 54.576 52.037 0.217 0.000 0.617 532 A CB -1.027 18.086 19.000 0.189 0.000 0.827 532 A HN 0.351 nan 8.150 nan 0.000 0.443 533 T N -1.362 113.267 114.554 0.125 0.000 2.684 533 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 533 T C 1.794 176.532 174.700 0.063 0.000 1.036 533 T CA 1.841 63.928 62.100 -0.021 0.000 1.148 533 T CB -0.493 68.383 68.868 0.013 0.000 0.863 533 T HN 0.594 nan 8.240 nan 0.000 0.436 534 Y N 2.198 122.559 120.300 0.101 0.000 2.165 534 Y HA -0.113 4.437 4.550 -0.000 0.000 0.286 534 Y C 2.439 178.451 175.900 0.186 0.000 1.155 534 Y CA 1.001 59.202 58.100 0.168 0.000 1.164 534 Y CB -0.827 37.744 38.460 0.185 0.000 0.978 534 Y HN 0.176 nan 8.280 nan 0.000 0.513 535 A N 0.937 123.763 122.820 0.010 0.000 1.877 535 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 535 A C 2.506 180.132 177.584 0.070 0.000 1.186 535 A CA 2.147 54.176 52.037 -0.013 0.000 0.620 535 A CB -1.659 17.444 19.000 0.173 0.000 0.822 535 A HN 0.681 nan 8.150 nan 0.000 0.443 536 A N -0.114 122.763 122.820 0.095 0.000 1.927 536 A HA 0.021 4.340 4.320 -0.000 0.000 0.220 536 A C 2.494 179.975 177.584 -0.171 0.000 1.185 536 A CA 2.527 54.448 52.037 -0.192 0.000 0.639 536 A CB -1.052 17.540 19.000 -0.681 0.000 0.820 536 A HN 1.159 nan 8.150 nan 0.000 0.451 537 A N -0.445 122.307 122.820 -0.113 0.000 1.898 537 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 537 A C 2.424 180.036 177.584 0.047 0.000 1.181 537 A CA 2.446 54.485 52.037 0.004 0.000 0.620 537 A CB -1.418 17.687 19.000 0.174 0.000 0.819 537 A HN 0.800 nan 8.150 nan 0.000 0.442 538 T N -2.087 112.438 114.554 -0.049 0.000 2.788 538 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 538 T C 1.717 176.420 174.700 0.005 0.000 1.044 538 T CA 1.505 63.600 62.100 -0.008 0.000 1.139 538 T CB -0.335 68.444 68.868 -0.148 0.000 0.867 538 T HN 0.591 nan 8.240 nan 0.000 0.454 539 E N 0.969 121.149 120.200 -0.032 0.000 2.072 539 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 539 E C 2.547 179.074 176.600 -0.122 0.000 0.985 539 E CA 0.769 57.145 56.400 -0.039 0.000 0.801 539 E CB -0.094 29.595 29.700 -0.017 0.000 0.750 539 E HN 0.525 nan 8.360 nan 0.000 0.452 540 R N -0.739 119.618 120.500 -0.239 0.000 2.075 540 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 540 R C 1.430 177.358 176.300 -0.620 0.000 1.126 540 R CA 1.885 57.673 56.100 -0.519 0.000 0.963 540 R CB -0.078 29.771 30.300 -0.750 0.000 0.858 540 R HN 0.208 nan 8.270 nan 0.000 0.435 541 W N 0.031 121.264 121.300 -0.113 0.000 2.901 541 W HA 0.293 4.953 4.660 -0.000 0.000 0.281 541 W C 0.306 176.816 176.519 -0.016 0.000 1.167 541 W CA -0.628 56.658 57.345 -0.098 0.000 1.506 541 W CB 0.570 29.900 29.460 -0.217 0.000 0.985 541 W HN -0.024 nan 8.180 nan 0.000 0.590 542 E N -0.195 120.125 120.200 0.200 0.000 2.284 542 E HA 0.344 4.694 4.350 -0.000 0.000 0.255 542 E C 1.470 178.129 176.600 0.098 0.000 1.052 542 E CA -0.100 56.402 56.400 0.169 0.000 0.904 542 E CB 0.832 30.640 29.700 0.180 0.000 1.217 542 E HN -0.038 nan 8.360 nan 0.000 0.438 543 G N 0.847 109.703 108.800 0.092 0.000 2.469 543 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 543 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 543 G C 0.495 175.425 174.900 0.050 0.000 1.150 543 G CA 1.294 46.433 45.100 0.065 0.000 0.763 543 G HN 0.376 nan 8.290 nan 0.000 0.561 544 K N -1.019 119.414 120.400 0.054 0.000 2.555 544 K HA 0.414 4.734 4.320 -0.000 0.000 0.279 544 K C -1.162 175.464 176.600 0.043 0.000 0.986 544 K CA -1.280 55.034 56.287 0.044 0.000 0.880 544 K CB 1.199 33.725 32.500 0.044 0.000 1.474 544 K HN 0.035 nan 8.250 nan 0.000 0.433 545 L N 1.841 123.090 121.223 0.044 0.000 2.543 545 L HA 0.113 4.453 4.340 -0.000 0.000 0.285 545 L C -0.123 176.771 176.870 0.040 0.000 1.236 545 L CA 0.885 55.757 54.840 0.053 0.000 0.871 545 L CB -0.043 42.070 42.059 0.089 0.000 1.121 545 L HN 0.707 nan 8.230 nan 0.000 0.501 546 D N 3.111 123.522 120.400 0.019 0.000 2.411 546 D HA 0.095 4.735 4.640 -0.000 0.000 0.225 546 D C 0.626 176.948 176.300 0.036 0.000 1.156 546 D CA 0.023 54.050 54.000 0.046 0.000 0.874 546 D CB 1.253 42.097 40.800 0.073 0.000 1.034 546 D HN 0.753 nan 8.370 nan 0.000 0.502 547 T N 3.170 117.739 114.554 0.026 0.000 2.851 547 T HA -0.065 4.285 4.350 -0.000 0.000 0.262 547 T C 1.756 176.443 174.700 -0.021 0.000 1.043 547 T CA 0.901 62.993 62.100 -0.013 0.000 1.140 547 T CB 0.271 69.138 68.868 -0.001 0.000 0.872 547 T HN 0.393 nan 8.240 nan 0.000 0.446 548 K N 1.092 121.502 120.400 0.016 0.000 2.097 548 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 548 K C 2.498 179.111 176.600 0.021 0.000 1.049 548 K CA 1.231 57.527 56.287 0.015 0.000 0.933 548 K CB -0.179 32.340 32.500 0.032 0.000 0.717 548 K HN 0.252 nan 8.250 nan 0.000 0.442 549 A N 1.711 124.575 122.820 0.073 0.000 1.929 549 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 549 A C 2.129 179.730 177.584 0.029 0.000 1.176 549 A CA 1.100 53.207 52.037 0.116 0.000 0.628 549 A CB -0.397 18.793 19.000 0.318 0.000 0.816 549 A HN 0.215 nan 8.150 nan 0.000 0.444 550 R N -0.121 120.335 120.500 -0.074 0.000 2.073 550 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 550 R C 1.293 177.456 176.300 -0.229 0.000 1.134 550 R CA 1.986 57.914 56.100 -0.287 0.000 0.952 550 R CB -0.458 29.478 30.300 -0.608 0.000 0.850 550 R HN 0.406 nan 8.270 nan 0.000 0.433 551 D N 0.601 120.911 120.400 -0.150 0.000 2.117 551 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 551 D C 1.813 178.074 176.300 -0.066 0.000 0.987 551 D CA 1.321 55.263 54.000 -0.097 0.000 0.829 551 D CB -0.266 40.494 40.800 -0.066 0.000 0.961 551 D HN 0.211 nan 8.370 nan 0.000 0.460 552 M N 1.172 120.744 119.600 -0.048 0.000 2.108 552 M HA -0.083 4.397 4.480 -0.000 0.000 0.261 552 M C 1.901 178.177 176.300 -0.039 0.000 1.066 552 M CA 1.360 56.639 55.300 -0.035 0.000 1.107 552 M CB -0.446 32.143 32.600 -0.019 0.000 1.356 552 M HN -0.017 nan 8.290 nan 0.000 0.406 553 A N -0.334 122.461 122.820 -0.041 0.000 1.902 553 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 553 A C 2.379 179.904 177.584 -0.098 0.000 1.181 553 A CA 2.084 54.091 52.037 -0.050 0.000 0.623 553 A CB -1.425 17.553 19.000 -0.037 0.000 0.818 553 A HN 0.651 nan 8.150 nan 0.000 0.443 554 A N -0.454 122.298 122.820 -0.114 0.000 1.902 554 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 554 A C 1.945 179.540 177.584 0.020 0.000 1.181 554 A CA 1.615 53.606 52.037 -0.077 0.000 0.623 554 A CB -0.412 18.590 19.000 0.002 0.000 0.818 554 A HN 0.474 nan 8.150 nan 0.000 0.443 555 E N 0.101 120.295 120.200 -0.011 0.000 2.077 555 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 555 E C 2.061 178.635 176.600 -0.044 0.000 0.989 555 E CA 1.108 57.503 56.400 -0.007 0.000 0.800 555 E CB -0.443 29.241 29.700 -0.026 0.000 0.746 555 E HN 0.680 nan 8.360 nan 0.000 0.452 556 L N 0.378 121.541 121.223 -0.100 0.000 2.056 556 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 556 L C 2.581 179.356 176.870 -0.159 0.000 1.078 556 L CA 0.680 55.383 54.840 -0.230 0.000 0.749 556 L CB -0.434 41.523 42.059 -0.170 0.000 0.901 556 L HN -0.027 nan 8.230 nan 0.000 0.433 557 V N 0.018 119.914 119.914 -0.031 0.000 2.343 557 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 557 V C 2.222 178.477 176.094 0.268 0.000 1.051 557 V CA 1.736 64.084 62.300 0.080 0.000 1.036 557 V CB -0.712 31.117 31.823 0.009 0.000 0.654 557 V HN 0.472 nan 8.190 nan 0.000 0.451 558 N N 0.476 119.357 118.700 0.302 0.000 2.084 558 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 558 N C 2.010 177.806 175.510 0.476 0.000 1.030 558 N CA 1.498 54.839 53.050 0.485 0.000 0.849 558 N CB -0.325 38.319 38.487 0.261 0.000 1.012 558 N HN 0.486 nan 8.380 nan 0.000 0.423 559 R N 0.465 121.116 120.500 0.251 0.000 2.093 559 R HA 0.163 4.502 4.340 -0.000 0.000 0.224 559 R C 2.210 178.747 176.300 0.394 0.000 1.101 559 R CA 0.981 57.266 56.100 0.309 0.000 0.979 559 R CB -0.254 30.162 30.300 0.194 0.000 0.877 559 R HN 0.155 nan 8.270 nan 0.000 0.441 560 A N 1.195 124.102 122.820 0.145 0.000 1.902 560 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 560 A C 1.852 179.748 177.584 0.520 0.000 1.181 560 A CA 1.108 53.359 52.037 0.356 0.000 0.623 560 A CB -0.823 18.251 19.000 0.123 0.000 0.818 560 A HN 0.614 nan 8.150 nan 0.000 0.443 561 W N -0.944 120.534 121.300 0.295 0.000 2.444 561 W HA -0.171 4.489 4.660 -0.000 0.000 0.308 561 W C 2.066 178.789 176.519 0.341 0.000 1.183 561 W CA 1.750 59.263 57.345 0.279 0.000 1.340 561 W CB -0.578 28.991 29.460 0.181 0.000 1.138 561 W HN 0.464 nan 8.180 nan 0.000 0.510 562 Y N 2.637 123.132 120.300 0.326 0.000 2.053 562 Y HA -0.288 4.262 4.550 -0.000 0.000 0.277 562 Y C 2.287 178.209 175.900 0.037 0.000 1.159 562 Y CA 2.612 60.820 58.100 0.181 0.000 1.125 562 Y CB -1.129 37.515 38.460 0.306 0.000 0.969 562 Y HN -0.071 nan 8.280 nan 0.000 0.492 563 N N -1.006 117.683 118.700 -0.017 0.000 2.457 563 N HA -0.095 4.645 4.740 -0.000 0.000 0.180 563 N C 0.388 175.504 175.510 -0.656 0.000 1.050 563 N CA 0.999 53.810 53.050 -0.398 0.000 0.906 563 N CB -0.124 38.234 38.487 -0.216 0.000 0.968 563 N HN 0.365 nan 8.380 nan 0.000 0.445 564 F N -0.738 119.199 119.950 -0.023 0.000 2.735 564 F HA 0.206 4.733 4.527 -0.000 0.000 0.308 564 F C 0.249 175.976 175.800 -0.121 0.000 1.112 564 F CA -0.918 57.059 58.000 -0.039 0.000 1.235 564 F CB -0.242 38.781 39.000 0.040 0.000 1.027 564 F HN -0.118 nan 8.300 nan 0.000 0.528 565 Y N 1.408 121.540 120.300 -0.281 0.000 2.702 565 Y HA 0.075 4.625 4.550 -0.000 0.000 0.336 565 Y C 0.280 176.046 175.900 -0.223 0.000 1.235 565 Y CA -0.510 57.328 58.100 -0.438 0.000 1.492 565 Y CB 0.580 38.682 38.460 -0.596 0.000 1.308 565 Y HN 0.148 nan 8.280 nan 0.000 0.589 566 C N 6.687 125.571 119.300 -0.693 0.000 2.239 566 C HA 0.369 4.829 4.460 -0.000 0.000 0.323 566 C C 1.340 176.071 174.990 -0.431 0.000 1.205 566 C CA -0.174 58.630 59.018 -0.357 0.000 1.584 566 C CB -0.673 26.979 27.740 -0.147 0.000 2.201 566 C HN 1.057 nan 8.230 nan 0.000 0.475 567 S N 2.993 118.647 115.700 -0.076 0.000 2.383 567 S HA -0.115 4.354 4.470 -0.000 0.000 0.229 567 S C 1.951 176.554 174.600 0.006 0.000 1.030 567 S CA 2.132 60.378 58.200 0.077 0.000 1.002 567 S CB -0.131 63.120 63.200 0.085 0.000 0.829 567 S HN 1.033 nan 8.310 nan 0.000 0.467 568 E N 0.283 120.457 120.200 -0.043 0.000 2.526 568 E HA 0.317 4.667 4.350 -0.000 0.000 0.198 568 E C 1.253 177.810 176.600 -0.073 0.000 1.091 568 E CA 0.741 57.115 56.400 -0.043 0.000 0.880 568 E CB -1.426 28.250 29.700 -0.040 0.000 0.873 568 E HN 0.749 nan 8.360 nan 0.000 0.527 569 G N 0.095 108.822 108.800 -0.122 0.000 2.132 569 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.234 569 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.234 569 G C 1.039 175.868 174.900 -0.117 0.000 0.989 569 G CA 0.520 45.554 45.100 -0.110 0.000 0.676 569 G HN 0.509 nan 8.290 nan 0.000 0.522 570 K N -0.114 120.183 120.400 -0.172 0.000 2.404 570 K HA 0.443 4.763 4.320 -0.000 0.000 0.194 570 K C 1.762 178.375 176.600 0.021 0.000 1.023 570 K CA 0.731 56.930 56.287 -0.146 0.000 1.094 570 K CB 0.446 32.646 32.500 -0.501 0.000 0.841 570 K HN 1.198 nan 8.250 nan 0.000 0.523 571 G N 0.798 109.557 108.800 -0.070 0.000 2.460 571 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.208 571 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.208 571 G C -0.685 174.138 174.900 -0.127 0.000 1.185 571 G CA -0.352 44.755 45.100 0.013 0.000 1.262 571 G HN 0.124 nan 8.290 nan 0.000 0.522 572 V N -1.473 118.474 119.914 0.056 0.000 3.019 572 V HA 0.955 5.075 4.120 -0.000 0.000 0.317 572 V C -0.031 176.126 176.094 0.106 0.000 1.094 572 V CA -0.370 61.947 62.300 0.029 0.000 1.000 572 V CB 1.497 33.394 31.823 0.124 0.000 1.060 572 V HN 1.934 nan 8.190 nan 0.000 0.443 573 V N 0.754 120.698 119.914 0.051 0.000 2.971 573 V HA 0.628 4.748 4.120 -0.000 0.000 0.309 573 V C -0.113 175.995 176.094 0.024 0.000 1.130 573 V CA 0.090 62.318 62.300 -0.121 0.000 0.964 573 V CB 2.585 34.242 31.823 -0.276 0.000 1.029 573 V HN 1.226 nan 8.190 nan 0.000 0.427 574 T N 4.004 118.501 114.554 -0.095 0.000 2.922 574 T HA 0.449 4.799 4.350 -0.000 0.000 0.285 574 T C -0.680 174.020 174.700 -0.000 0.000 1.005 574 T CA -0.103 61.961 62.100 -0.060 0.000 1.061 574 T CB 0.923 69.763 68.868 -0.045 0.000 1.007 574 T HN 0.831 nan 8.240 nan 0.000 0.502 575 E N 2.880 123.128 120.200 0.080 0.000 2.267 575 E HA 0.321 4.671 4.350 -0.000 0.000 0.248 575 E C -0.988 175.622 176.600 0.017 0.000 0.899 575 E CA -0.653 55.780 56.400 0.054 0.000 0.764 575 E CB 0.479 30.258 29.700 0.131 0.000 1.227 575 E HN 0.702 nan 8.360 nan 0.000 0.421 576 E N 2.955 123.132 120.200 -0.037 0.000 2.246 576 E HA 0.606 4.955 4.350 -0.000 0.000 0.266 576 E C -1.066 175.499 176.600 -0.058 0.000 0.880 576 E CA -1.324 55.062 56.400 -0.025 0.000 0.762 576 E CB 1.714 31.424 29.700 0.017 0.000 1.180 576 E HN 0.381 nan 8.360 nan 0.000 0.416 577 A N 3.919 126.715 122.820 -0.041 0.000 2.451 577 A HA 0.257 4.576 4.320 -0.000 0.000 0.266 577 A C -0.099 177.431 177.584 -0.090 0.000 1.119 577 A CA -0.583 51.421 52.037 -0.056 0.000 0.786 577 A CB 0.062 19.046 19.000 -0.027 0.000 1.061 577 A HN 0.494 nan 8.150 nan 0.000 0.503 578 R N 3.096 123.495 120.500 -0.167 0.000 3.057 578 R HA 0.336 4.676 4.340 -0.000 0.000 0.291 578 R C 1.188 177.392 176.300 -0.160 0.000 1.394 578 R CA 0.295 56.215 56.100 -0.301 0.000 1.630 578 R CB 0.014 29.796 30.300 -0.863 0.000 1.268 578 R HN 0.835 nan 8.270 nan 0.000 0.621 579 A N 1.688 124.480 122.820 -0.047 0.000 1.948 579 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 579 A C 1.600 179.205 177.584 0.035 0.000 1.177 579 A CA 2.033 54.077 52.037 0.011 0.000 0.636 579 A CB -0.191 18.819 19.000 0.015 0.000 0.815 579 A HN 0.565 nan 8.150 nan 0.000 0.449 580 D N -1.295 119.130 120.400 0.042 0.000 2.271 580 D HA -0.229 4.411 4.640 -0.000 0.000 0.207 580 D C 1.267 177.580 176.300 0.021 0.000 0.983 580 D CA 1.151 55.174 54.000 0.038 0.000 0.878 580 D CB -0.728 40.191 40.800 0.198 0.000 0.920 580 D HN 0.518 nan 8.370 nan 0.000 0.479 581 Y N 1.758 122.072 120.300 0.023 0.000 2.639 581 Y HA -0.061 4.489 4.550 -0.000 0.000 0.297 581 Y C 2.200 178.117 175.900 0.029 0.000 1.151 581 Y CA 0.299 58.471 58.100 0.120 0.000 1.335 581 Y CB -0.647 37.978 38.460 0.275 0.000 0.994 581 Y HN 0.275 nan 8.280 nan 0.000 0.548 582 K N 0.354 120.839 120.400 0.141 0.000 2.211 582 K HA -0.180 4.140 4.320 -0.000 0.000 0.204 582 K C 1.761 178.285 176.600 -0.128 0.000 1.047 582 K CA 1.383 57.764 56.287 0.158 0.000 0.935 582 K CB -0.360 32.268 32.500 0.213 0.000 0.728 582 K HN 0.186 nan 8.250 nan 0.000 0.452 583 R N -0.075 120.122 120.500 -0.506 0.000 2.193 583 R HA -0.041 4.298 4.340 -0.000 0.000 0.229 583 R C 1.867 177.737 176.300 -0.717 0.000 1.110 583 R CA 1.274 56.876 56.100 -0.831 0.000 0.988 583 R CB -0.466 28.857 30.300 -1.629 0.000 0.871 583 R HN 0.190 nan 8.270 nan 0.000 0.458 584 F N -0.307 119.144 119.950 -0.830 0.000 2.184 584 F HA -0.257 4.269 4.527 -0.000 0.000 0.301 584 F C 1.352 176.712 175.800 -0.733 0.000 1.076 584 F CA 1.623 59.191 58.000 -0.720 0.000 1.295 584 F CB -0.003 38.206 39.000 -1.318 0.000 1.026 584 F HN -0.011 nan 8.300 nan 0.000 0.494 585 F N -2.384 117.548 119.950 -0.030 0.000 2.740 585 F HA 0.152 4.679 4.527 -0.000 0.000 0.304 585 F C 1.831 177.565 175.800 -0.110 0.000 1.098 585 F CA -0.057 57.852 58.000 -0.152 0.000 1.258 585 F CB -0.266 38.359 39.000 -0.625 0.000 1.061 585 F HN -0.215 nan 8.300 nan 0.000 0.598 586 E N 0.045 120.252 120.200 0.011 0.000 2.216 586 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 586 E C 0.709 177.339 176.600 0.050 0.000 0.973 586 E CA 0.008 56.447 56.400 0.066 0.000 0.851 586 E CB 0.099 29.844 29.700 0.075 0.000 0.804 586 E HN 0.044 nan 8.360 nan 0.000 0.477 587 Q N 2.482 122.281 119.800 -0.002 0.000 2.286 587 Q HA -0.008 4.331 4.340 -0.000 0.000 0.265 587 Q C -0.764 175.317 176.000 0.135 0.000 1.080 587 Q CA 0.313 56.146 55.803 0.050 0.000 0.906 587 Q CB 0.383 29.137 28.738 0.027 0.000 1.227 587 Q HN 0.013 nan 8.270 nan 0.000 0.409 588 E N 2.363 122.641 120.200 0.130 0.000 2.384 588 E HA 0.196 4.545 4.350 -0.000 0.000 0.266 588 E C -1.089 175.616 176.600 0.174 0.000 1.012 588 E CA -0.359 56.128 56.400 0.145 0.000 0.901 588 E CB 0.676 30.456 29.700 0.134 0.000 0.967 588 E HN 0.427 nan 8.360 nan 0.000 0.435 589 V N 5.806 125.820 119.914 0.168 0.000 2.370 589 V HA 0.064 4.184 4.120 -0.000 0.000 0.279 589 V C -0.383 175.804 176.094 0.155 0.000 1.029 589 V CA -0.690 61.715 62.300 0.176 0.000 0.870 589 V CB 0.496 32.408 31.823 0.148 0.000 0.984 589 V HN 0.625 nan 8.190 nan 0.000 0.451 590 Y N 5.631 125.976 120.300 0.074 0.000 2.620 590 Y HA 0.378 4.927 4.550 -0.000 0.000 0.330 590 Y C -0.141 175.755 175.900 -0.006 0.000 1.186 590 Y CA 0.318 58.446 58.100 0.046 0.000 1.467 590 Y CB 0.728 39.226 38.460 0.063 0.000 1.262 590 Y HN 0.401 nan 8.280 nan 0.000 0.550 591 V N 8.676 128.063 119.914 -0.877 0.000 2.623 591 V HA 0.326 4.446 4.120 -0.000 0.000 0.304 591 V C -2.274 173.221 176.094 -0.997 0.000 1.054 591 V CA -2.205 59.645 62.300 -0.751 0.000 0.882 591 V CB 1.784 33.417 31.823 -0.315 0.000 1.002 591 V HN 0.708 nan 8.190 nan 0.000 0.424 592 P HA 0.084 nan 4.420 nan 0.000 0.264 592 P C -0.078 177.148 177.300 -0.122 0.000 1.179 592 P CA 0.258 63.175 63.100 -0.305 0.000 0.763 592 P CB 0.411 32.068 31.700 -0.072 0.000 0.806 593 A N 3.027 125.829 122.820 -0.031 0.000 2.540 593 A HA 0.389 4.708 4.320 -0.000 0.000 0.239 593 A C 1.638 179.247 177.584 0.041 0.000 1.061 593 A CA 0.799 52.842 52.037 0.009 0.000 0.758 593 A CB -1.318 17.701 19.000 0.032 0.000 0.991 593 A HN 0.899 nan 8.150 nan 0.000 0.502 594 G N 0.591 109.410 108.800 0.032 0.000 2.205 594 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.261 594 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.261 594 G C 0.124 175.043 174.900 0.031 0.000 0.980 594 G CA 0.545 45.658 45.100 0.021 0.000 0.632 594 G HN 1.243 nan 8.290 nan 0.000 0.533 595 W N 2.254 123.482 121.300 -0.120 0.000 2.365 595 W HA 0.613 5.273 4.660 -0.000 0.000 0.316 595 W C 0.620 177.050 176.519 -0.148 0.000 1.164 595 W CA 0.282 57.538 57.345 -0.149 0.000 1.204 595 W CB 1.329 30.681 29.460 -0.180 0.000 1.213 595 W HN 0.695 nan 8.180 nan 0.000 0.539 596 S N 4.313 119.744 115.700 -0.449 0.000 2.556 596 S HA 0.946 5.415 4.470 -0.000 0.000 0.271 596 S C -0.661 173.461 174.600 -0.798 0.000 1.135 596 S CA -0.428 57.579 58.200 -0.320 0.000 0.858 596 S CB 1.703 64.775 63.200 -0.214 0.000 1.114 596 S HN 1.104 nan 8.310 nan 0.000 0.468 597 G N 0.439 109.016 108.800 -0.372 0.000 2.495 597 G HA2 0.705 4.665 3.960 -0.000 0.000 0.294 597 G HA3 0.705 4.665 3.960 -0.000 0.000 0.294 597 G C -1.034 173.822 174.900 -0.073 0.000 1.397 597 G CA -0.064 44.825 45.100 -0.351 0.000 0.790 597 G HN 1.541 nan 8.290 nan 0.000 0.486 598 T N -1.712 112.819 114.554 -0.038 0.000 2.900 598 T HA 0.692 5.042 4.350 -0.000 0.000 0.295 598 T C 0.183 174.970 174.700 0.146 0.000 1.044 598 T CA -0.906 61.223 62.100 0.048 0.000 0.995 598 T CB 1.785 70.672 68.868 0.032 0.000 1.072 598 T HN 0.477 nan 8.240 nan 0.000 0.473 599 M N 1.625 121.306 119.600 0.136 0.000 2.202 599 M HA 0.283 4.763 4.480 -0.000 0.000 0.316 599 M C -1.588 174.701 176.300 -0.018 0.000 1.138 599 M CA -2.521 52.854 55.300 0.125 0.000 1.151 599 M CB 0.088 32.687 32.600 -0.001 0.000 1.422 599 M HN 0.413 nan 8.290 nan 0.000 0.471 600 P HA -0.179 nan 4.420 nan 0.000 0.217 600 P C 0.753 177.914 177.300 -0.232 0.000 1.151 600 P CA 1.513 64.312 63.100 -0.501 0.000 0.849 600 P CB -0.101 31.043 31.700 -0.928 0.000 0.787 601 N N -1.328 117.210 118.700 -0.269 0.000 2.461 601 N HA 0.024 4.764 4.740 -0.000 0.000 0.188 601 N C 1.203 176.639 175.510 -0.123 0.000 1.134 601 N CA 1.059 53.981 53.050 -0.213 0.000 0.878 601 N CB -0.833 37.474 38.487 -0.300 0.000 0.972 601 N HN 0.230 nan 8.380 nan 0.000 0.456 602 G N -0.320 108.437 108.800 -0.072 0.000 2.194 602 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.236 602 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.236 602 G C -0.669 174.211 174.900 -0.033 0.000 0.987 602 G CA 0.037 45.116 45.100 -0.035 0.000 0.635 602 G HN 0.447 nan 8.290 nan 0.000 0.520 603 D N 1.558 121.928 120.400 -0.051 0.000 2.458 603 D HA 0.289 4.929 4.640 -0.000 0.000 0.243 603 D C 0.798 177.102 176.300 0.007 0.000 1.146 603 D CA 0.531 54.512 54.000 -0.031 0.000 0.877 603 D CB 0.682 41.452 40.800 -0.051 0.000 1.176 603 D HN 0.363 nan 8.370 nan 0.000 0.461 604 K N 2.199 122.606 120.400 0.012 0.000 2.322 604 K HA 0.319 4.639 4.320 -0.000 0.000 0.283 604 K C 0.064 176.698 176.600 0.056 0.000 1.042 604 K CA -0.296 56.006 56.287 0.025 0.000 0.958 604 K CB 0.927 33.434 32.500 0.012 0.000 0.984 604 K HN 0.314 nan 8.250 nan 0.000 0.473 605 I N 4.383 125.011 120.570 0.097 0.000 2.307 605 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 605 I C -0.087 176.139 176.117 0.183 0.000 1.021 605 I CA -0.262 61.132 61.300 0.157 0.000 1.224 605 I CB 0.755 38.916 38.000 0.269 0.000 1.376 605 I HN 0.635 nan 8.210 nan 0.000 0.470 606 Q N 5.737 125.601 119.800 0.106 0.000 2.702 606 Q HA 0.514 4.854 4.340 -0.000 0.000 0.289 606 Q C -3.077 172.935 176.000 0.019 0.000 0.923 606 Q CA -2.124 53.728 55.803 0.081 0.000 0.787 606 Q CB 1.569 30.335 28.738 0.048 0.000 1.476 606 Q HN 0.121 nan 8.270 nan 0.000 0.402 607 P HA 0.133 nan 4.420 nan 0.000 0.264 607 P C 0.518 177.821 177.300 0.006 0.000 1.193 607 P CA 1.886 64.961 63.100 -0.041 0.000 0.763 607 P CB 0.437 32.111 31.700 -0.044 0.000 0.810 608 G N 2.240 111.053 108.800 0.021 0.000 2.184 608 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.206 608 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.206 608 G C 0.198 175.139 174.900 0.068 0.000 0.995 608 G CA 0.018 45.149 45.100 0.052 0.000 0.651 608 G HN 0.639 nan 8.290 nan 0.000 0.511 609 I N -0.894 119.712 120.570 0.061 0.000 2.836 609 I HA 0.666 4.835 4.170 -0.000 0.000 0.285 609 I C 0.298 176.478 176.117 0.105 0.000 1.174 609 I CA -0.503 60.843 61.300 0.077 0.000 1.405 609 I CB 0.571 38.609 38.000 0.062 0.000 1.385 609 I HN -0.211 nan 8.210 nan 0.000 0.594 610 K N 3.561 124.037 120.400 0.126 0.000 2.211 610 K HA 0.287 4.607 4.320 -0.000 0.000 0.237 610 K C 0.264 176.979 176.600 0.192 0.000 1.002 610 K CA -0.834 55.553 56.287 0.167 0.000 0.885 610 K CB 0.936 33.544 32.500 0.181 0.000 1.136 610 K HN 0.733 nan 8.250 nan 0.000 0.448 611 F N 1.276 121.272 119.950 0.076 0.000 2.063 611 F HA -0.321 4.206 4.527 -0.000 0.000 0.298 611 F C 1.905 177.756 175.800 0.085 0.000 1.105 611 F CA 1.834 59.878 58.000 0.074 0.000 1.215 611 F CB -0.219 38.827 39.000 0.077 0.000 0.972 611 F HN 0.524 nan 8.300 nan 0.000 0.483 612 I N 0.988 121.720 120.570 0.271 0.000 2.335 612 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 612 I C 1.815 177.993 176.117 0.101 0.000 1.129 612 I CA 1.758 63.201 61.300 0.238 0.000 1.402 612 I CB -0.839 37.379 38.000 0.363 0.000 1.069 612 I HN 0.170 nan 8.210 nan 0.000 0.424 613 D N 0.419 120.872 120.400 0.089 0.000 2.309 613 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 613 D C 1.808 178.109 176.300 0.002 0.000 0.968 613 D CA 1.644 55.678 54.000 0.057 0.000 0.882 613 D CB -0.109 40.735 40.800 0.075 0.000 0.918 613 D HN 0.647 nan 8.370 nan 0.000 0.503 614 I N -3.251 117.294 120.570 -0.042 0.000 3.974 614 I HA 0.292 4.461 4.170 -0.000 0.000 0.334 614 I C 0.378 176.414 176.117 -0.134 0.000 1.437 614 I CA -0.294 60.970 61.300 -0.060 0.000 1.113 614 I CB 0.474 38.468 38.000 -0.009 0.000 1.063 614 I HN -0.325 nan 8.210 nan 0.000 0.400 615 R N 0.309 120.714 120.500 -0.158 0.000 2.772 615 R HA 0.282 4.622 4.340 -0.000 0.000 0.358 615 R C 0.628 176.870 176.300 -0.096 0.000 1.143 615 R CA -0.126 55.850 56.100 -0.207 0.000 1.153 615 R CB 0.614 30.816 30.300 -0.162 0.000 1.329 615 R HN 0.101 nan 8.270 nan 0.000 0.615 616 T N 1.017 115.476 114.554 -0.159 0.000 2.833 616 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 616 T C 1.543 176.157 174.700 -0.143 0.000 1.054 616 T CA 1.335 63.366 62.100 -0.114 0.000 1.135 616 T CB 0.080 68.871 68.868 -0.128 0.000 0.869 616 T HN 0.290 nan 8.240 nan 0.000 0.466 617 K N -0.101 120.131 120.400 -0.279 0.000 2.360 617 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 617 K C 1.624 178.271 176.600 0.079 0.000 1.046 617 K CA 0.830 56.981 56.287 -0.226 0.000 0.940 617 K CB -0.158 31.998 32.500 -0.574 0.000 0.748 617 K HN 0.365 nan 8.250 nan 0.000 0.465 618 Y N 1.314 121.692 120.300 0.130 0.000 2.421 618 Y HA -0.076 4.474 4.550 -0.000 0.000 0.292 618 Y C 1.826 177.668 175.900 -0.096 0.000 1.136 618 Y CA 0.730 58.969 58.100 0.232 0.000 1.255 618 Y CB -0.055 38.645 38.460 0.399 0.000 0.991 618 Y HN -0.017 nan 8.280 nan 0.000 0.552 619 R N -0.388 119.946 120.500 -0.276 0.000 2.200 619 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 619 R C 1.251 177.335 176.300 -0.361 0.000 1.127 619 R CA 1.051 56.611 56.100 -0.899 0.000 0.989 619 R CB -0.074 29.833 30.300 -0.654 0.000 0.869 619 R HN 0.340 nan 8.270 nan 0.000 0.459 620 Q N 0.414 120.161 119.800 -0.089 0.000 2.320 620 Q HA 0.072 4.411 4.340 -0.000 0.000 0.201 620 Q C -0.086 175.975 176.000 0.101 0.000 0.910 620 Q CA 0.238 56.047 55.803 0.010 0.000 0.946 620 Q CB 0.128 28.874 28.738 0.013 0.000 1.062 620 Q HN 0.279 nan 8.270 nan 0.000 0.503 621 D N 1.975 122.484 120.400 0.182 0.000 2.304 621 D HA 0.048 4.688 4.640 -0.000 0.000 0.250 621 D C -1.457 174.978 176.300 0.224 0.000 1.107 621 D CA -1.771 52.378 54.000 0.247 0.000 0.885 621 D CB 1.938 42.975 40.800 0.396 0.000 1.192 621 D HN -0.090 nan 8.370 nan 0.000 0.436 622 P HA -0.157 nan 4.420 nan 0.000 0.223 622 P C 0.495 177.838 177.300 0.071 0.000 1.144 622 P CA 1.059 64.247 63.100 0.147 0.000 0.783 622 P CB 0.053 31.874 31.700 0.202 0.000 0.771 623 Y N -3.166 117.180 120.300 0.078 0.000 2.458 623 Y HA 0.107 4.657 4.550 -0.000 0.000 0.256 623 Y C 2.289 178.223 175.900 0.056 0.000 1.159 623 Y CA -0.642 57.486 58.100 0.047 0.000 1.261 623 Y CB -0.648 37.822 38.460 0.016 0.000 1.119 623 Y HN -0.139 nan 8.280 nan 0.000 0.524 624 Y N 1.145 121.485 120.300 0.066 0.000 2.145 624 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 624 Y C 1.902 177.848 175.900 0.076 0.000 1.145 624 Y CA 2.017 60.139 58.100 0.037 0.000 1.148 624 Y CB -0.193 38.311 38.460 0.074 0.000 0.981 624 Y HN 0.036 nan 8.280 nan 0.000 0.507 625 D N 0.379 120.800 120.400 0.034 0.000 2.104 625 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 625 D C 2.384 178.628 176.300 -0.094 0.000 0.994 625 D CA 1.977 55.958 54.000 -0.031 0.000 0.830 625 D CB -0.437 40.382 40.800 0.031 0.000 0.959 625 D HN 0.461 nan 8.370 nan 0.000 0.452 626 I N 0.826 121.333 120.570 -0.105 0.000 2.118 626 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 626 I C 2.652 178.745 176.117 -0.041 0.000 1.070 626 I CA 1.144 62.393 61.300 -0.085 0.000 1.327 626 I CB -0.290 37.648 38.000 -0.103 0.000 1.034 626 I HN -0.033 nan 8.210 nan 0.000 0.405 627 V N -0.750 119.146 119.914 -0.031 0.000 2.548 627 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 627 V C 2.353 178.497 176.094 0.082 0.000 1.055 627 V CA 1.395 63.713 62.300 0.031 0.000 1.065 627 V CB -0.743 31.092 31.823 0.019 0.000 0.681 627 V HN 0.431 nan 8.190 nan 0.000 0.462 628 Y N 1.344 121.472 120.300 -0.286 0.000 2.163 628 Y HA -0.081 4.468 4.550 -0.000 0.000 0.288 628 Y C 2.642 178.397 175.900 -0.242 0.000 1.136 628 Y CA 2.185 60.025 58.100 -0.434 0.000 1.147 628 Y CB -0.426 37.564 38.460 -0.783 0.000 0.987 628 Y HN 0.306 nan 8.280 nan 0.000 0.509 629 Q N -0.049 119.594 119.800 -0.261 0.000 2.124 629 Q HA -0.121 4.218 4.340 -0.000 0.000 0.202 629 Q C 2.535 178.403 176.000 -0.221 0.000 0.977 629 Q CA 1.408 57.036 55.803 -0.292 0.000 0.850 629 Q CB -0.902 27.733 28.738 -0.171 0.000 0.901 629 Q HN 0.580 nan 8.270 nan 0.000 0.429 630 A N 0.125 122.880 122.820 -0.108 0.000 1.933 630 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 630 A C 1.988 179.549 177.584 -0.039 0.000 1.175 630 A CA 1.422 53.429 52.037 -0.051 0.000 0.628 630 A CB -0.788 18.223 19.000 0.019 0.000 0.814 630 A HN 0.441 nan 8.150 nan 0.000 0.444 631 Y N 0.595 120.818 120.300 -0.129 0.000 2.163 631 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 631 Y C 1.871 177.643 175.900 -0.215 0.000 1.136 631 Y CA 1.692 59.727 58.100 -0.108 0.000 1.147 631 Y CB -0.432 37.996 38.460 -0.052 0.000 0.987 631 Y HN 0.188 nan 8.280 nan 0.000 0.509 632 L N 0.155 120.978 121.223 -0.667 0.000 2.127 632 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 632 L C 2.363 178.966 176.870 -0.445 0.000 1.089 632 L CA 1.649 56.087 54.840 -0.670 0.000 0.757 632 L CB -0.473 41.227 42.059 -0.599 0.000 0.899 632 L HN 0.237 nan 8.230 nan 0.000 0.434 633 R N -0.361 119.946 120.500 -0.322 0.000 2.276 633 R HA 0.105 4.445 4.340 -0.000 0.000 0.196 633 R C 1.201 177.393 176.300 -0.180 0.000 0.961 633 R CA 0.606 56.578 56.100 -0.213 0.000 1.024 633 R CB 0.170 30.378 30.300 -0.153 0.000 0.940 633 R HN 0.433 nan 8.270 nan 0.000 0.480 634 G N 1.905 110.581 108.800 -0.205 0.000 2.160 634 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 634 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 634 G C -0.401 174.463 174.900 -0.060 0.000 1.022 634 G CA 0.036 45.058 45.100 -0.130 0.000 0.741 634 G HN 0.372 nan 8.290 nan 0.000 0.508 635 E N -0.457 119.715 120.200 -0.046 0.000 2.227 635 E HA 0.671 5.021 4.350 -0.000 0.000 0.268 635 E C 0.386 176.994 176.600 0.014 0.000 0.907 635 E CA -0.468 55.919 56.400 -0.022 0.000 0.786 635 E CB 1.727 31.404 29.700 -0.039 0.000 1.191 635 E HN 0.652 nan 8.360 nan 0.000 0.411 636 A N 3.643 126.470 122.820 0.012 0.000 2.451 636 A HA 0.299 4.618 4.320 -0.000 0.000 0.266 636 A C -2.095 175.494 177.584 0.009 0.000 1.119 636 A CA -1.084 50.965 52.037 0.019 0.000 0.786 636 A CB -0.429 18.571 19.000 0.000 0.000 1.061 636 A HN 0.285 nan 8.150 nan 0.000 0.503 637 P HA 0.263 nan 4.420 nan 0.000 0.271 637 P C -0.645 176.642 177.300 -0.022 0.000 1.218 637 P CA -0.131 62.984 63.100 0.025 0.000 0.780 637 P CB 0.886 32.644 31.700 0.096 0.000 0.901 638 V N 4.017 123.919 119.914 -0.022 0.000 2.370 638 V HA 0.283 4.403 4.120 -0.000 0.000 0.279 638 V C 0.454 176.504 176.094 -0.073 0.000 1.029 638 V CA -0.356 61.914 62.300 -0.050 0.000 0.870 638 V CB 0.832 32.633 31.823 -0.038 0.000 0.984 638 V HN 0.370 nan 8.190 nan 0.000 0.451 639 L N 4.834 125.959 121.223 -0.163 0.000 2.333 639 L HA 0.628 4.967 4.340 -0.000 0.000 0.269 639 L C -0.061 176.552 176.870 -0.428 0.000 1.010 639 L CA -0.392 54.236 54.840 -0.353 0.000 0.818 639 L CB 1.859 43.571 42.059 -0.579 0.000 1.306 639 L HN 0.507 nan 8.230 nan 0.000 0.430 640 N N 1.650 120.005 118.700 -0.574 0.000 2.407 640 N HA 0.429 5.169 4.740 -0.000 0.000 0.277 640 N C -1.596 173.537 175.510 -0.628 0.000 0.995 640 N CA -0.343 52.427 53.050 -0.467 0.000 0.903 640 N CB 1.539 39.852 38.487 -0.290 0.000 1.218 640 N HN 0.449 nan 8.380 nan 0.000 0.487 641 Y N 0.094 120.198 120.300 -0.327 0.000 2.462 641 Y HA 0.280 4.830 4.550 -0.000 0.000 0.346 641 Y C -0.178 175.450 175.900 -0.455 0.000 0.976 641 Y CA -1.003 56.893 58.100 -0.341 0.000 1.044 641 Y CB 1.797 40.110 38.460 -0.244 0.000 1.230 641 Y HN 0.460 nan 8.280 nan 0.000 0.455 642 H N 1.915 121.009 119.070 0.040 0.000 2.572 642 H HA 0.357 4.913 4.556 -0.000 0.000 0.248 642 H C -0.676 174.642 175.328 -0.016 0.000 1.397 642 H CA -0.768 55.296 56.048 0.026 0.000 1.319 642 H CB 0.264 30.029 29.762 0.004 0.000 1.452 642 H HN 0.370 nan 8.280 nan 0.000 0.535 643 R N 1.246 121.641 120.500 -0.176 0.000 2.442 643 R HA 0.016 4.356 4.340 -0.000 0.000 0.291 643 R C 0.648 176.837 176.300 -0.185 0.000 1.069 643 R CA -0.302 55.562 56.100 -0.393 0.000 1.022 643 R CB 0.463 30.174 30.300 -0.982 0.000 0.976 643 R HN 0.511 nan 8.270 nan 0.000 0.443 644 F N 4.333 124.169 119.950 -0.191 0.000 2.087 644 F HA -0.298 4.229 4.527 -0.000 0.000 0.299 644 F C 1.765 177.462 175.800 -0.171 0.000 1.100 644 F CA 1.786 59.680 58.000 -0.178 0.000 1.226 644 F CB -0.037 38.854 39.000 -0.181 0.000 0.983 644 F HN 0.714 nan 8.300 nan 0.000 0.479 645 W N -0.188 121.004 121.300 -0.181 0.000 2.519 645 W HA -0.102 4.558 4.660 -0.000 0.000 0.266 645 W C 1.754 178.123 176.519 -0.250 0.000 1.253 645 W CA 1.192 58.258 57.345 -0.466 0.000 1.274 645 W CB -1.580 27.540 29.460 -0.567 0.000 1.114 645 W HN 0.243 nan 8.180 nan 0.000 0.596 646 H N 0.972 119.528 119.070 -0.856 0.000 2.326 646 H HA -0.127 4.429 4.556 -0.000 0.000 0.301 646 H C 2.255 177.383 175.328 -0.334 0.000 1.081 646 H CA 1.565 57.194 56.048 -0.698 0.000 1.334 646 H CB 0.268 29.637 29.762 -0.655 0.000 1.385 646 H HN 0.013 nan 8.280 nan 0.000 0.504 647 E N 0.679 120.757 120.200 -0.205 0.000 2.033 647 E HA -0.143 4.206 4.350 -0.000 0.000 0.199 647 E C 2.548 179.012 176.600 -0.226 0.000 1.011 647 E CA 0.846 57.110 56.400 -0.227 0.000 0.815 647 E CB -0.676 28.759 29.700 -0.442 0.000 0.755 647 E HN 0.246 nan 8.360 nan 0.000 0.451 648 V N 2.178 121.889 119.914 -0.339 0.000 2.295 648 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 648 V C 2.134 178.229 176.094 0.003 0.000 1.049 648 V CA 2.008 64.202 62.300 -0.176 0.000 1.024 648 V CB -0.528 31.223 31.823 -0.120 0.000 0.648 648 V HN 0.129 nan 8.190 nan 0.000 0.447 649 D N -0.302 120.139 120.400 0.068 0.000 2.182 649 D HA -0.145 4.494 4.640 -0.000 0.000 0.201 649 D C 1.950 178.296 176.300 0.076 0.000 0.986 649 D CA 1.173 55.285 54.000 0.187 0.000 0.847 649 D CB -0.005 41.040 40.800 0.409 0.000 0.942 649 D HN 0.378 nan 8.370 nan 0.000 0.467 650 L N 0.574 121.817 121.223 0.033 0.000 2.044 650 L HA 0.031 4.370 4.340 -0.000 0.000 0.205 650 L C 2.212 179.103 176.870 0.034 0.000 1.075 650 L CA 1.819 56.685 54.840 0.042 0.000 0.747 650 L CB -0.790 41.312 42.059 0.073 0.000 0.903 650 L HN -0.052 nan 8.230 nan 0.000 0.435 651 A N -0.650 122.181 122.820 0.017 0.000 1.884 651 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 651 A C 2.262 179.968 177.584 0.205 0.000 1.197 651 A CA 2.583 54.659 52.037 0.066 0.000 0.637 651 A CB -1.361 17.613 19.000 -0.044 0.000 0.827 651 A HN 0.330 nan 8.150 nan 0.000 0.450 652 V N -0.234 119.709 119.914 0.048 0.000 2.343 652 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 652 V C 3.059 179.076 176.094 -0.129 0.000 1.051 652 V CA 1.927 64.147 62.300 -0.134 0.000 1.036 652 V CB -1.340 30.128 31.823 -0.592 0.000 0.654 652 V HN 0.660 nan 8.190 nan 0.000 0.451 653 A N -0.513 122.261 122.820 -0.077 0.000 1.917 653 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 653 A C 2.236 179.776 177.584 -0.074 0.000 1.182 653 A CA 2.530 54.536 52.037 -0.051 0.000 0.633 653 A CB -0.535 18.457 19.000 -0.014 0.000 0.819 653 A HN 0.516 nan 8.150 nan 0.000 0.448 654 M N -0.755 118.829 119.600 -0.027 0.000 2.117 654 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 654 M C 2.310 178.595 176.300 -0.024 0.000 1.065 654 M CA 1.510 56.804 55.300 -0.009 0.000 1.114 654 M CB -0.572 32.095 32.600 0.112 0.000 1.361 654 M HN 0.505 nan 8.290 nan 0.000 0.408 655 G N -0.527 108.232 108.800 -0.067 0.000 2.422 655 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 655 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 655 G C 1.455 176.199 174.900 -0.261 0.000 1.146 655 G CA 0.917 45.821 45.100 -0.326 0.000 0.769 655 G HN 0.332 nan 8.290 nan 0.000 0.547 656 V N 0.559 120.394 119.914 -0.132 0.000 2.358 656 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 656 V C 2.802 178.954 176.094 0.098 0.000 1.047 656 V CA 0.999 63.308 62.300 0.014 0.000 1.035 656 V CB -0.367 31.499 31.823 0.071 0.000 0.658 656 V HN 0.206 nan 8.190 nan 0.000 0.452 657 L N 0.658 121.898 121.223 0.029 0.000 1.989 657 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 657 L C 2.667 179.595 176.870 0.095 0.000 1.071 657 L CA 2.437 57.322 54.840 0.075 0.000 0.749 657 L CB -1.647 40.232 42.059 -0.300 0.000 0.890 657 L HN 0.321 nan 8.230 nan 0.000 0.431 658 A N -1.977 120.846 122.820 0.004 0.000 1.986 658 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 658 A C 2.320 179.798 177.584 -0.177 0.000 1.171 658 A CA 2.374 54.384 52.037 -0.046 0.000 0.640 658 A CB -0.800 18.129 19.000 -0.118 0.000 0.811 658 A HN 0.486 nan 8.150 nan 0.000 0.451 659 T N -2.198 112.177 114.554 -0.297 0.000 2.901 659 T HA 0.029 4.379 4.350 -0.000 0.000 0.252 659 T C 1.539 175.858 174.700 -0.636 0.000 1.035 659 T CA 1.429 63.197 62.100 -0.553 0.000 1.142 659 T CB -0.271 68.132 68.868 -0.774 0.000 0.869 659 T HN 0.597 nan 8.240 nan 0.000 0.442 660 Y N -0.673 119.453 120.300 -0.290 0.000 2.509 660 Y HA 0.350 4.900 4.550 -0.000 0.000 0.270 660 Y C 0.270 175.648 175.900 -0.871 0.000 1.103 660 Y CA -0.128 57.614 58.100 -0.596 0.000 1.278 660 Y CB 0.441 38.448 38.460 -0.755 0.000 1.087 660 Y HN 0.097 nan 8.280 nan 0.000 0.542 661 F N 0.570 120.563 119.950 0.072 0.000 2.564 661 F HA 0.367 4.894 4.527 -0.000 0.000 0.329 661 F C -2.063 173.761 175.800 0.040 0.000 1.458 661 F CA -2.677 55.356 58.000 0.055 0.000 1.117 661 F CB 0.703 39.743 39.000 0.067 0.000 1.383 661 F HN -0.148 nan 8.300 nan 0.000 0.571 662 P HA -0.074 nan 4.420 nan 0.000 0.226 662 P C 0.602 177.944 177.300 0.070 0.000 1.153 662 P CA 1.172 64.299 63.100 0.045 0.000 0.777 662 P CB 0.486 32.163 31.700 -0.039 0.000 0.794 663 D N -0.948 119.510 120.400 0.097 0.000 2.333 663 D HA 0.077 4.717 4.640 -0.000 0.000 0.208 663 D C 1.239 177.593 176.300 0.090 0.000 0.984 663 D CA 0.400 54.445 54.000 0.074 0.000 0.873 663 D CB -0.246 40.593 40.800 0.064 0.000 0.935 663 D HN 0.240 nan 8.370 nan 0.000 0.521 664 M N 0.045 119.742 119.600 0.161 0.000 2.232 664 M HA 0.097 4.577 4.480 -0.000 0.000 0.321 664 M C 0.478 176.854 176.300 0.126 0.000 1.101 664 M CA 0.845 56.255 55.300 0.184 0.000 1.181 664 M CB 0.898 33.669 32.600 0.285 0.000 1.432 664 M HN -0.253 nan 8.290 nan 0.000 0.457 665 T N 0.578 115.134 114.554 0.003 0.000 2.923 665 T HA 0.332 4.682 4.350 -0.000 0.000 0.311 665 T C -1.648 172.803 174.700 -0.415 0.000 1.183 665 T CA -0.581 61.364 62.100 -0.260 0.000 1.020 665 T CB 0.893 69.691 68.868 -0.118 0.000 1.165 665 T HN 0.454 nan 8.240 nan 0.000 0.482 666 Y N 2.604 122.478 120.300 -0.711 0.000 2.497 666 Y HA 0.512 5.062 4.550 -0.000 0.000 0.334 666 Y C -0.003 175.791 175.900 -0.176 0.000 1.199 666 Y CA 0.135 57.966 58.100 -0.448 0.000 1.425 666 Y CB 0.089 38.320 38.460 -0.383 0.000 1.291 666 Y HN 0.722 nan 8.280 nan 0.000 0.562 667 K N 5.106 124.952 120.400 -0.923 0.000 2.469 667 K HA 0.676 4.996 4.320 -0.000 0.000 0.254 667 K C -1.184 174.790 176.600 -1.043 0.000 0.939 667 K CA -0.395 55.431 56.287 -0.770 0.000 0.812 667 K CB 0.675 32.956 32.500 -0.364 0.000 1.301 667 K HN 1.235 nan 8.250 nan 0.000 0.433 668 V N 0.640 120.125 119.914 -0.716 0.000 2.485 668 V HA 0.426 4.546 4.120 -0.000 0.000 0.287 668 V C -2.037 173.762 176.094 -0.491 0.000 1.022 668 V CA -1.156 60.766 62.300 -0.631 0.000 1.067 668 V CB -0.182 31.339 31.823 -0.503 0.000 0.967 668 V HN 0.807 nan 8.190 nan 0.000 0.479 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.984 63.100 -0.194 0.000 0.800 669 P CB 0.000 31.686 31.700 -0.023 0.000 0.726