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 2fgh_1_B DATA FIRST_RESID 27 DATA SEQUENCE VEHPEFLKAG KEPGLQIWRV EKFDLVPVPP NLYGDFFTGD AYVILKTVQL DATA SEQUENCE RNGILQYDLH YWLGNECSQD ESGAAAIFTV QLDDYLNGRA VQHREVQGFE DATA SEQUENCE SATFLGYFKS GLKYKKGGVA SGFKHVVPNE VVVQRLLQVK GRRVVRATEV DATA SEQUENCE PVSWESFNNG DcFILDLGNN IYQWcGSKSN RFERLKATQV SKGIRDNERS DATA SEQUENCE GRAQVSVFEE GAEPEAMLQV LGPKPTLPEA TEXXXXXXXX NRKLAKLYKV DATA SEQUENCE SNGAGPMVVS LVADENPFAQ GALRSEDCFI LDHGKDGKIF VWKGKQANME DATA SEQUENCE ERKAALKTAS DFISKMDYPK QTQVSVLPEG GETPLFRQFF KNWRDPDQTE DATA SEQUENCE GLGLAYLSSH IAHVERVPFD AATLHTSTAM AAQHGMDDDG TGQKQIWRVE DATA SEQUENCE GSNKVPVDPA TYGQFYGGDS YIILYNYRHG SRQGQIIYNW QGAQSTQDEV DATA SEQUENCE AASAILTAQL DEELGGTPVQ SRVVQGKEPA HLMSLFGGKP MIVYKGGTSR DATA SEQUENCE EGGQTAPAST RLFQVRASSS GATRAVEIIP KAGALNSNDA FVLKTPSAAY DATA SEQUENCE LWVGAGASEA EKTGAQELLR VLRAQPVQVA EGSEPDSFWE ALGGKATYRT DATA SEQUENCE SPRLKDKKMD AHPPRLFACS NKIGRFVIEE VPGEFMQEDL ATDDVMLLDT DATA SEQUENCE WDQVFVWVGK DSQDEEKTEA LTSAKRYIDT DPAHRDRRTP ITVVKQGFEP DATA SEQUENCE PSFVGWFLGW DDSYWSVDPL DRALAELAA 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 27 V HA 0.000 nan 4.120 nan 0.000 0.244 27 V C 0.000 176.028 176.094 -0.110 0.000 1.182 27 V CA 0.000 62.244 62.300 -0.094 0.000 1.235 27 V CB 0.000 31.739 31.823 -0.140 0.000 1.184 28 E N 1.168 121.293 120.200 -0.125 0.000 4.924 28 E HA -0.416 3.934 4.350 -0.000 0.000 0.229 28 E C 0.301 176.667 176.600 -0.391 0.000 0.912 28 E CA 2.033 58.342 56.400 -0.151 0.000 1.857 28 E CB -1.099 28.595 29.700 -0.011 0.000 1.787 28 E HN 1.235 nan 8.360 nan 0.000 0.427 29 H N -1.326 117.444 119.070 -0.500 0.000 6.089 29 H HA 0.004 4.560 4.556 -0.000 0.000 0.863 29 H C -2.662 172.410 175.328 -0.426 0.000 1.979 29 H CA 0.040 55.712 56.048 -0.626 0.000 1.432 29 H CB -0.382 28.668 29.762 -1.187 0.000 4.585 29 H HN -0.011 nan 8.280 nan 0.000 0.669 30 P HA -0.135 nan 4.420 nan 0.000 0.217 30 P C 1.296 178.608 177.300 0.020 0.000 1.148 30 P CA 1.260 64.307 63.100 -0.088 0.000 0.828 30 P CB 0.430 32.057 31.700 -0.122 0.000 0.783 31 E N -1.655 118.608 120.200 0.106 0.000 2.216 31 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 31 E C 1.823 178.414 176.600 -0.015 0.000 0.988 31 E CA 0.708 57.127 56.400 0.031 0.000 0.834 31 E CB -0.732 28.833 29.700 -0.224 0.000 0.772 31 E HN 0.267 nan 8.360 nan 0.000 0.479 32 F N 1.240 120.943 119.950 -0.412 0.000 2.154 32 F HA -0.161 4.366 4.527 -0.000 0.000 0.301 32 F C 2.281 177.779 175.800 -0.503 0.000 1.087 32 F CA 0.818 58.433 58.000 -0.642 0.000 1.274 32 F CB -0.942 37.492 39.000 -0.944 0.000 1.009 32 F HN -0.002 nan 8.300 nan 0.000 0.485 33 L N -0.894 120.291 121.223 -0.064 0.000 2.217 33 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 33 L C 1.988 178.940 176.870 0.136 0.000 1.107 33 L CA 1.034 55.925 54.840 0.086 0.000 0.783 33 L CB -0.711 41.397 42.059 0.080 0.000 0.919 33 L HN 0.019 nan 8.230 nan 0.000 0.442 34 K N 0.657 121.139 120.400 0.136 0.000 2.486 34 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 34 K C 0.739 177.483 176.600 0.240 0.000 1.033 34 K CA 0.089 56.489 56.287 0.187 0.000 1.004 34 K CB 0.168 32.808 32.500 0.233 0.000 0.798 34 K HN 0.222 nan 8.250 nan 0.000 0.495 35 A N 0.474 123.429 122.820 0.224 0.000 2.289 35 A HA 0.521 4.841 4.320 -0.000 0.000 0.298 35 A C 0.809 178.510 177.584 0.196 0.000 1.208 35 A CA 0.111 52.303 52.037 0.258 0.000 0.845 35 A CB 0.333 19.386 19.000 0.088 0.000 1.125 35 A HN 0.357 nan 8.150 nan 0.000 0.517 36 G N 2.010 110.938 108.800 0.213 0.000 2.176 36 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.252 36 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.252 36 G C 0.763 175.852 174.900 0.315 0.000 1.024 36 G CA 0.600 45.865 45.100 0.275 0.000 0.755 36 G HN 0.640 nan 8.290 nan 0.000 0.507 37 K N 0.356 120.882 120.400 0.211 0.000 2.067 37 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 37 K C 1.458 178.130 176.600 0.121 0.000 1.048 37 K CA 1.702 58.085 56.287 0.160 0.000 0.954 37 K CB 0.017 32.595 32.500 0.130 0.000 0.737 37 K HN 0.894 nan 8.250 nan 0.000 0.444 38 E N 0.932 121.191 120.200 0.098 0.000 2.320 38 E HA 0.431 4.781 4.350 -0.000 0.000 0.264 38 E C -2.749 173.875 176.600 0.039 0.000 0.923 38 E CA -2.533 53.899 56.400 0.052 0.000 0.796 38 E CB 1.314 31.031 29.700 0.028 0.000 1.262 38 E HN -0.255 nan 8.360 nan 0.000 0.428 39 P HA 0.288 nan 4.420 nan 0.000 0.268 39 P C -0.253 177.025 177.300 -0.036 0.000 1.205 39 P CA 0.582 63.665 63.100 -0.028 0.000 0.771 39 P CB 0.756 32.427 31.700 -0.048 0.000 0.858 40 G N 0.910 109.676 108.800 -0.058 0.000 2.362 40 G HA2 0.307 4.267 3.960 -0.000 0.000 0.288 40 G HA3 0.307 4.267 3.960 -0.000 0.000 0.288 40 G C -2.486 172.344 174.900 -0.117 0.000 1.305 40 G CA -0.739 44.310 45.100 -0.084 0.000 0.910 40 G HN 0.628 nan 8.290 nan 0.000 0.518 41 L N -0.125 121.020 121.223 -0.130 0.000 2.385 41 L HA 0.838 5.178 4.340 -0.000 0.000 0.273 41 L C -0.409 176.398 176.870 -0.104 0.000 0.990 41 L CA -0.385 54.336 54.840 -0.199 0.000 0.821 41 L CB 1.959 43.837 42.059 -0.302 0.000 1.279 41 L HN 0.681 nan 8.230 nan 0.000 0.412 42 Q N 5.577 125.229 119.800 -0.247 0.000 2.321 42 Q HA 0.624 4.964 4.340 -0.000 0.000 0.270 42 Q C -1.424 174.123 176.000 -0.755 0.000 1.032 42 Q CA -0.398 55.121 55.803 -0.475 0.000 0.784 42 Q CB 2.857 31.226 28.738 -0.614 0.000 1.264 42 Q HN 0.593 nan 8.270 nan 0.000 0.448 43 I N 2.204 122.262 120.570 -0.852 0.000 2.410 43 I HA 0.416 4.586 4.170 -0.000 0.000 0.286 43 I C -0.836 174.989 176.117 -0.487 0.000 1.009 43 I CA -0.601 60.333 61.300 -0.610 0.000 1.111 43 I CB 1.114 38.665 38.000 -0.749 0.000 1.262 43 I HN 0.393 nan 8.210 nan 0.000 0.443 44 W N 5.819 127.193 121.300 0.124 0.000 2.551 44 W HA 0.515 5.174 4.660 -0.000 0.000 0.330 44 W C 0.123 176.772 176.519 0.217 0.000 1.063 44 W CA -0.775 56.641 57.345 0.118 0.000 1.222 44 W CB 1.731 31.205 29.460 0.024 0.000 1.349 44 W HN 0.350 nan 8.180 nan 0.000 0.536 45 R N 1.515 122.208 120.500 0.321 0.000 2.428 45 R HA 0.458 4.797 4.340 -0.000 0.000 0.294 45 R C -0.931 175.407 176.300 0.062 0.000 1.000 45 R CA -0.414 55.669 56.100 -0.027 0.000 0.960 45 R CB 1.458 31.720 30.300 -0.064 0.000 1.076 45 R HN 0.296 nan 8.270 nan 0.000 0.475 46 V N 4.316 124.250 119.914 0.033 0.000 2.455 46 V HA 0.154 4.274 4.120 -0.000 0.000 0.273 46 V C -0.053 176.120 176.094 0.132 0.000 1.045 46 V CA 0.216 62.615 62.300 0.166 0.000 0.976 46 V CB 0.985 32.970 31.823 0.270 0.000 0.993 46 V HN 0.800 nan 8.190 nan 0.000 0.475 47 E N 4.017 124.316 120.200 0.164 0.000 2.402 47 E HA 0.377 4.727 4.350 -0.000 0.000 0.244 47 E C -0.465 176.232 176.600 0.161 0.000 0.945 47 E CA -0.690 55.787 56.400 0.129 0.000 0.774 47 E CB 0.988 30.752 29.700 0.107 0.000 1.296 47 E HN 0.611 nan 8.360 nan 0.000 0.414 48 K N 2.216 122.711 120.400 0.159 0.000 3.244 48 K HA -0.222 4.098 4.320 -0.000 0.000 0.270 48 K C -0.384 176.393 176.600 0.295 0.000 1.016 48 K CA 0.572 56.959 56.287 0.167 0.000 0.754 48 K CB -1.468 31.097 32.500 0.108 0.000 1.326 48 K HN 0.859 nan 8.250 nan 0.000 0.465 49 F N -1.295 118.737 119.950 0.137 0.000 3.091 49 F HA -0.340 4.186 4.527 -0.000 0.000 0.288 49 F C 0.033 176.052 175.800 0.366 0.000 0.907 49 F CA 0.691 58.807 58.000 0.193 0.000 1.028 49 F CB -0.212 38.817 39.000 0.048 0.000 1.022 49 F HN 0.437 nan 8.300 nan 0.000 0.665 50 D N 1.071 121.732 120.400 0.436 0.000 2.661 50 D HA 0.516 5.156 4.640 -0.000 0.000 0.228 50 D C -0.904 175.439 176.300 0.072 0.000 1.183 50 D CA -0.367 53.791 54.000 0.263 0.000 0.844 50 D CB 1.679 42.565 40.800 0.145 0.000 1.555 50 D HN 0.147 nan 8.370 nan 0.000 0.453 51 L N 2.016 123.135 121.223 -0.174 0.000 2.255 51 L HA 0.490 4.830 4.340 -0.000 0.000 0.289 51 L C -0.539 176.377 176.870 0.076 0.000 1.046 51 L CA -0.825 53.867 54.840 -0.246 0.000 0.816 51 L CB 1.326 42.884 42.059 -0.835 0.000 1.197 51 L HN 0.111 nan 8.230 nan 0.000 0.427 52 V N 5.040 125.077 119.914 0.205 0.000 2.417 52 V HA 0.362 4.481 4.120 -0.000 0.000 0.291 52 V C -2.196 174.079 176.094 0.301 0.000 1.024 52 V CA -2.015 60.425 62.300 0.234 0.000 0.861 52 V CB 1.750 33.673 31.823 0.167 0.000 0.985 52 V HN 0.551 nan 8.190 nan 0.000 0.436 53 P HA 0.141 nan 4.420 nan 0.000 0.271 53 P C -0.228 177.075 177.300 0.004 0.000 1.226 53 P CA -0.019 63.140 63.100 0.099 0.000 0.765 53 P CB 0.569 32.312 31.700 0.071 0.000 0.835 54 V N 7.070 126.936 119.914 -0.080 0.000 2.655 54 V HA 0.065 4.185 4.120 -0.000 0.000 0.300 54 V C -1.756 174.291 176.094 -0.077 0.000 1.044 54 V CA -1.078 61.067 62.300 -0.258 0.000 1.095 54 V CB -0.167 31.466 31.823 -0.317 0.000 0.952 54 V HN 0.559 nan 8.190 nan 0.000 0.485 55 P HA 0.153 nan 4.420 nan 0.000 0.268 55 P C -2.147 175.029 177.300 -0.206 0.000 1.205 55 P CA -1.262 61.770 63.100 -0.113 0.000 0.771 55 P CB 0.085 31.738 31.700 -0.078 0.000 0.858 56 P HA -0.176 nan 4.420 nan 0.000 0.218 56 P C 1.094 178.036 177.300 -0.597 0.000 1.148 56 P CA 1.392 63.932 63.100 -0.933 0.000 0.822 56 P CB -0.326 30.963 31.700 -0.685 0.000 0.784 57 N N 0.089 118.606 118.700 -0.305 0.000 2.520 57 N HA -0.102 4.638 4.740 -0.000 0.000 0.185 57 N C 1.059 176.496 175.510 -0.122 0.000 1.068 57 N CA 1.007 53.944 53.050 -0.188 0.000 0.911 57 N CB -0.825 37.585 38.487 -0.129 0.000 0.961 57 N HN 0.268 nan 8.380 nan 0.000 0.446 58 L N -0.340 120.827 121.223 -0.093 0.000 2.769 58 L HA 0.275 4.615 4.340 -0.000 0.000 0.240 58 L C -0.181 176.679 176.870 -0.015 0.000 1.163 58 L CA -0.629 54.184 54.840 -0.046 0.000 0.962 58 L CB -0.322 41.738 42.059 0.001 0.000 1.258 58 L HN -0.143 nan 8.230 nan 0.000 0.513 59 Y N 1.648 121.826 120.300 -0.205 0.000 2.811 59 Y HA 0.177 4.727 4.550 -0.000 0.000 0.334 59 Y C 1.592 177.374 175.900 -0.196 0.000 1.247 59 Y CA 0.934 58.915 58.100 -0.198 0.000 1.526 59 Y CB 0.145 38.545 38.460 -0.099 0.000 1.284 59 Y HN 0.302 nan 8.280 nan 0.000 0.586 60 G N 2.291 110.868 108.800 -0.371 0.000 2.258 60 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.233 60 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.233 60 G C -0.151 174.291 174.900 -0.764 0.000 1.006 60 G CA -0.044 44.682 45.100 -0.624 0.000 0.620 60 G HN 0.548 nan 8.290 nan 0.000 0.511 61 D N 0.543 120.520 120.400 -0.705 0.000 2.351 61 D HA 0.615 5.254 4.640 -0.000 0.000 0.251 61 D C -0.299 175.371 176.300 -1.050 0.000 1.137 61 D CA 0.578 54.209 54.000 -0.616 0.000 0.879 61 D CB 0.475 41.065 40.800 -0.350 0.000 1.181 61 D HN 0.135 nan 8.370 nan 0.000 0.448 62 F N 1.534 121.170 119.950 -0.524 0.000 2.573 62 F HA 0.326 4.853 4.527 -0.000 0.000 0.316 62 F C -0.298 175.368 175.800 -0.223 0.000 1.148 62 F CA -0.955 56.656 58.000 -0.649 0.000 0.940 62 F CB 0.904 39.103 39.000 -1.335 0.000 1.214 62 F HN 0.149 nan 8.300 nan 0.000 0.448 63 F N 1.630 121.814 119.950 0.390 0.000 2.484 63 F HA 0.152 4.679 4.527 -0.000 0.000 0.360 63 F C 1.692 177.798 175.800 0.510 0.000 1.101 63 F CA 0.344 58.562 58.000 0.362 0.000 1.251 63 F CB 1.006 40.171 39.000 0.275 0.000 1.132 63 F HN 0.533 nan 8.300 nan 0.000 0.570 64 T N 2.004 116.888 114.554 0.549 0.000 2.995 64 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 64 T C 1.688 176.566 174.700 0.297 0.000 1.091 64 T CA 1.280 63.612 62.100 0.386 0.000 1.128 64 T CB -0.200 68.812 68.868 0.239 0.000 0.891 64 T HN 0.810 nan 8.240 nan 0.000 0.492 65 G N 0.900 109.893 108.800 0.321 0.000 3.707 65 G HA2 0.298 4.258 3.960 -0.000 0.000 0.286 65 G HA3 0.298 4.258 3.960 -0.000 0.000 0.286 65 G C -0.636 174.405 174.900 0.234 0.000 1.112 65 G CA -0.340 44.889 45.100 0.215 0.000 0.861 65 G HN 0.238 nan 8.290 nan 0.000 0.534 66 D N -0.505 120.119 120.400 0.373 0.000 2.531 66 D HA 0.737 5.376 4.640 -0.000 0.000 0.244 66 D C -0.404 176.172 176.300 0.459 0.000 1.090 66 D CA -0.253 53.959 54.000 0.352 0.000 0.989 66 D CB 2.131 43.146 40.800 0.359 0.000 1.433 66 D HN 0.147 nan 8.370 nan 0.000 0.492 67 A N 0.259 123.282 122.820 0.339 0.000 2.423 67 A HA 0.780 5.100 4.320 -0.000 0.000 0.304 67 A C -1.670 176.171 177.584 0.429 0.000 1.104 67 A CA -0.461 51.868 52.037 0.487 0.000 0.757 67 A CB 1.071 20.279 19.000 0.348 0.000 1.313 67 A HN 0.457 nan 8.150 nan 0.000 0.423 68 Y N -0.841 119.805 120.300 0.577 0.000 2.609 68 Y HA 0.603 5.153 4.550 -0.000 0.000 0.342 68 Y C -0.210 176.011 175.900 0.535 0.000 1.058 68 Y CA -0.896 57.534 58.100 0.550 0.000 1.055 68 Y CB 2.286 41.112 38.460 0.610 0.000 1.292 68 Y HN 0.457 nan 8.280 nan 0.000 0.476 69 V N 3.140 123.459 119.914 0.675 0.000 2.604 69 V HA 0.553 4.673 4.120 -0.000 0.000 0.305 69 V C -0.996 175.472 176.094 0.623 0.000 1.043 69 V CA -0.720 61.955 62.300 0.624 0.000 0.888 69 V CB 1.805 33.929 31.823 0.500 0.000 0.995 69 V HN 0.474 nan 8.190 nan 0.000 0.429 70 I N 5.172 126.070 120.570 0.545 0.000 2.478 70 I HA 0.507 4.677 4.170 -0.000 0.000 0.287 70 I C -0.867 175.497 176.117 0.411 0.000 1.042 70 I CA -0.299 61.208 61.300 0.344 0.000 1.067 70 I CB 1.818 39.962 38.000 0.240 0.000 1.233 70 I HN 0.446 nan 8.210 nan 0.000 0.431 71 L N 6.782 128.172 121.223 0.279 0.000 2.325 71 L HA 0.671 5.011 4.340 -0.000 0.000 0.281 71 L C -0.656 176.281 176.870 0.112 0.000 1.004 71 L CA -0.510 54.513 54.840 0.305 0.000 0.823 71 L CB 1.079 43.363 42.059 0.376 0.000 1.236 71 L HN 0.482 nan 8.230 nan 0.000 0.415 72 K N 2.890 123.382 120.400 0.154 0.000 2.307 72 K HA 0.606 4.926 4.320 -0.000 0.000 0.263 72 K C -1.165 175.499 176.600 0.107 0.000 0.973 72 K CA -0.158 56.097 56.287 -0.052 0.000 0.846 72 K CB 1.312 33.655 32.500 -0.261 0.000 1.100 72 K HN 0.647 nan 8.250 nan 0.000 0.438 73 T N 3.651 118.240 114.554 0.058 0.000 2.758 73 T HA 0.390 4.740 4.350 -0.000 0.000 0.285 73 T C -0.838 173.824 174.700 -0.062 0.000 0.981 73 T CA -0.646 61.493 62.100 0.065 0.000 0.965 73 T CB 1.067 70.030 68.868 0.158 0.000 0.927 73 T HN 0.281 nan 8.240 nan 0.000 0.448 74 V N 3.794 123.632 119.914 -0.126 0.000 2.483 74 V HA 0.354 4.474 4.120 -0.000 0.000 0.295 74 V C 0.238 176.231 176.094 -0.170 0.000 1.035 74 V CA -0.874 61.336 62.300 -0.149 0.000 0.896 74 V CB 1.759 33.468 31.823 -0.191 0.000 0.986 74 V HN 0.827 nan 8.190 nan 0.000 0.447 75 Q N 4.021 123.745 119.800 -0.128 0.000 2.307 75 Q HA 0.382 4.722 4.340 -0.000 0.000 0.261 75 Q C -0.634 175.294 176.000 -0.120 0.000 1.051 75 Q CA -0.030 55.704 55.803 -0.115 0.000 0.911 75 Q CB 0.550 29.240 28.738 -0.079 0.000 1.227 75 Q HN 0.650 nan 8.270 nan 0.000 0.418 76 L N 3.915 125.060 121.223 -0.129 0.000 2.473 76 L HA 0.122 4.462 4.340 -0.000 0.000 0.268 76 L C 1.533 178.358 176.870 -0.076 0.000 1.215 76 L CA -0.043 54.731 54.840 -0.110 0.000 0.823 76 L CB 0.452 42.449 42.059 -0.102 0.000 1.099 76 L HN 0.765 nan 8.230 nan 0.000 0.483 77 R N 1.063 121.526 120.500 -0.062 0.000 2.115 77 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 77 R C 1.379 177.659 176.300 -0.032 0.000 1.111 77 R CA 1.463 57.537 56.100 -0.043 0.000 0.976 77 R CB -0.371 29.909 30.300 -0.034 0.000 0.870 77 R HN 0.722 nan 8.270 nan 0.000 0.445 78 N N -0.198 118.483 118.700 -0.031 0.000 2.515 78 N HA 0.009 4.749 4.740 -0.000 0.000 0.191 78 N C 1.035 176.529 175.510 -0.027 0.000 1.182 78 N CA 0.975 54.011 53.050 -0.023 0.000 0.879 78 N CB 0.546 39.023 38.487 -0.016 0.000 0.984 78 N HN 0.284 nan 8.380 nan 0.000 0.453 79 G N -0.459 108.318 108.800 -0.038 0.000 2.299 79 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.237 79 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.237 79 G C 0.054 174.925 174.900 -0.048 0.000 1.027 79 G CA 0.176 45.253 45.100 -0.038 0.000 0.619 79 G HN 0.283 nan 8.290 nan 0.000 0.513 80 I N 1.989 122.529 120.570 -0.050 0.000 2.948 80 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 80 I C 1.388 177.436 176.117 -0.115 0.000 1.226 80 I CA 0.091 61.352 61.300 -0.064 0.000 1.413 80 I CB 0.117 38.088 38.000 -0.049 0.000 1.352 80 I HN 0.164 nan 8.210 nan 0.000 0.597 81 L N 4.500 125.623 121.223 -0.166 0.000 2.360 81 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 81 L C 0.141 176.722 176.870 -0.481 0.000 1.057 81 L CA -0.536 54.114 54.840 -0.317 0.000 0.803 81 L CB 1.294 43.133 42.059 -0.367 0.000 1.207 81 L HN 0.611 nan 8.230 nan 0.000 0.445 82 Q N 1.502 120.975 119.800 -0.545 0.000 2.375 82 Q HA 0.442 4.782 4.340 -0.000 0.000 0.271 82 Q C -2.068 173.647 176.000 -0.474 0.000 1.074 82 Q CA -0.642 54.900 55.803 -0.436 0.000 0.808 82 Q CB 1.989 30.567 28.738 -0.266 0.000 1.327 82 Q HN 0.520 nan 8.270 nan 0.000 0.441 83 Y N 1.640 121.994 120.300 0.089 0.000 2.338 83 Y HA 0.341 4.891 4.550 -0.000 0.000 0.333 83 Y C -1.150 174.873 175.900 0.204 0.000 0.968 83 Y CA -0.985 57.191 58.100 0.128 0.000 1.123 83 Y CB 2.116 40.641 38.460 0.110 0.000 1.165 83 Y HN 0.654 nan 8.280 nan 0.000 0.452 84 D N 3.960 124.607 120.400 0.412 0.000 2.349 84 D HA 0.413 5.053 4.640 -0.000 0.000 0.232 84 D C -1.026 175.548 176.300 0.456 0.000 1.071 84 D CA -0.245 54.012 54.000 0.428 0.000 0.832 84 D CB 1.397 42.492 40.800 0.493 0.000 1.086 84 D HN 0.358 nan 8.370 nan 0.000 0.504 85 L N 3.982 125.460 121.223 0.424 0.000 2.272 85 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 85 L C -0.372 176.853 176.870 0.593 0.000 1.032 85 L CA -0.587 54.551 54.840 0.496 0.000 0.810 85 L CB 0.563 42.820 42.059 0.330 0.000 1.205 85 L HN 0.487 nan 8.230 nan 0.000 0.422 86 H N 3.269 122.641 119.070 0.503 0.000 2.622 86 H HA 0.393 4.949 4.556 -0.000 0.000 0.363 86 H C -1.406 174.233 175.328 0.518 0.000 1.151 86 H CA -0.942 55.386 56.048 0.467 0.000 1.184 86 H CB 1.955 31.947 29.762 0.383 0.000 1.643 86 H HN 0.514 nan 8.280 nan 0.000 0.531 87 Y N -0.295 120.251 120.300 0.410 0.000 2.429 87 Y HA 0.415 4.965 4.550 -0.000 0.000 0.342 87 Y C -1.333 174.725 175.900 0.264 0.000 1.004 87 Y CA -1.483 56.831 58.100 0.357 0.000 1.075 87 Y CB 1.492 40.130 38.460 0.297 0.000 1.214 87 Y HN 0.669 nan 8.280 nan 0.000 0.455 88 W N 6.640 127.996 121.300 0.094 0.000 2.532 88 W HA 0.700 5.360 4.660 -0.000 0.000 0.321 88 W C -2.132 174.395 176.519 0.013 0.000 1.037 88 W CA -1.214 56.027 57.345 -0.173 0.000 1.220 88 W CB 1.463 30.715 29.460 -0.347 0.000 1.361 88 W HN 0.619 nan 8.180 nan 0.000 0.468 89 L N 7.307 128.120 121.223 -0.683 0.000 2.298 89 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 89 L C 1.022 177.236 176.870 -1.092 0.000 1.013 89 L CA -1.036 53.472 54.840 -0.553 0.000 0.824 89 L CB 0.917 42.782 42.059 -0.323 0.000 1.221 89 L HN 0.651 nan 8.230 nan 0.000 0.418 90 G N 1.822 110.151 108.800 -0.785 0.000 2.614 90 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.239 90 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.239 90 G C 0.484 175.199 174.900 -0.308 0.000 1.240 90 G CA -0.231 44.539 45.100 -0.549 0.000 0.842 90 G HN 0.844 nan 8.290 nan 0.000 0.584 91 N N -0.171 118.392 118.700 -0.228 0.000 2.188 91 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 91 N C 0.861 176.338 175.510 -0.055 0.000 1.018 91 N CA 0.629 53.597 53.050 -0.136 0.000 0.858 91 N CB 0.171 38.598 38.487 -0.099 0.000 0.989 91 N HN 0.341 nan 8.380 nan 0.000 0.426 92 E N 0.396 120.594 120.200 -0.004 0.000 2.335 92 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 92 E C -0.689 175.937 176.600 0.044 0.000 1.077 92 E CA -0.198 56.222 56.400 0.033 0.000 1.010 92 E CB -0.684 29.059 29.700 0.072 0.000 1.141 92 E HN 0.230 nan 8.360 nan 0.000 0.452 93 C N 1.767 121.078 119.300 0.017 0.000 2.601 93 C HA 0.288 4.747 4.460 -0.000 0.000 0.409 93 C C 0.930 175.936 174.990 0.026 0.000 1.293 93 C CA -0.419 58.621 59.018 0.037 0.000 2.101 93 C CB -0.286 27.459 27.740 0.009 0.000 2.639 93 C HN 0.436 nan 8.230 nan 0.000 0.592 94 S N 4.133 119.856 115.700 0.038 0.000 2.576 94 S HA 0.013 4.483 4.470 -0.000 0.000 0.272 94 S C 0.913 175.520 174.600 0.011 0.000 1.352 94 S CA -0.311 57.901 58.200 0.020 0.000 1.021 94 S CB 0.703 63.914 63.200 0.019 0.000 0.887 94 S HN 0.911 nan 8.310 nan 0.000 0.542 95 Q N 0.434 120.232 119.800 -0.004 0.000 2.230 95 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 95 Q C 0.536 176.520 176.000 -0.026 0.000 0.963 95 Q CA 1.543 57.339 55.803 -0.012 0.000 0.866 95 Q CB -0.219 28.507 28.738 -0.020 0.000 0.931 95 Q HN 0.776 nan 8.270 nan 0.000 0.452 96 D N 0.233 120.612 120.400 -0.035 0.000 2.120 96 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 96 D C 1.720 177.985 176.300 -0.057 0.000 0.972 96 D CA 0.840 54.798 54.000 -0.071 0.000 0.837 96 D CB 0.101 40.857 40.800 -0.074 0.000 0.989 96 D HN 0.235 nan 8.370 nan 0.000 0.469 97 E N 0.268 120.469 120.200 0.003 0.000 2.153 97 E HA -0.133 4.216 4.350 -0.000 0.000 0.194 97 E C 2.085 178.742 176.600 0.095 0.000 0.988 97 E CA 1.208 57.645 56.400 0.060 0.000 0.811 97 E CB -0.071 29.684 29.700 0.091 0.000 0.746 97 E HN 0.318 nan 8.360 nan 0.000 0.466 98 S N -0.199 115.549 115.700 0.080 0.000 2.436 98 S HA -0.005 4.465 4.470 -0.000 0.000 0.228 98 S C 2.178 176.824 174.600 0.076 0.000 1.014 98 S CA 0.750 59.026 58.200 0.127 0.000 0.950 98 S CB -0.246 63.019 63.200 0.108 0.000 0.784 98 S HN 0.247 nan 8.310 nan 0.000 0.504 99 G N 1.686 110.481 108.800 -0.009 0.000 2.418 99 G HA2 0.074 4.033 3.960 -0.000 0.000 0.217 99 G HA3 0.074 4.033 3.960 -0.000 0.000 0.217 99 G C 1.655 176.473 174.900 -0.136 0.000 1.158 99 G CA 0.708 45.759 45.100 -0.081 0.000 0.771 99 G HN 0.740 nan 8.290 nan 0.000 0.545 100 A N 1.124 123.860 122.820 -0.140 0.000 1.933 100 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 100 A C 2.791 180.427 177.584 0.087 0.000 1.175 100 A CA 2.135 54.102 52.037 -0.116 0.000 0.628 100 A CB -0.691 18.309 19.000 0.000 0.000 0.814 100 A HN 0.734 nan 8.150 nan 0.000 0.444 101 A N -0.084 122.826 122.820 0.150 0.000 1.902 101 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 101 A C 2.503 179.994 177.584 -0.155 0.000 1.181 101 A CA 2.046 54.209 52.037 0.209 0.000 0.623 101 A CB -0.989 18.221 19.000 0.350 0.000 0.818 101 A HN 1.016 nan 8.150 nan 0.000 0.443 102 A N -0.130 122.425 122.820 -0.441 0.000 1.877 102 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 102 A C 2.122 179.546 177.584 -0.266 0.000 1.186 102 A CA 1.519 53.147 52.037 -0.681 0.000 0.620 102 A CB -0.610 18.126 19.000 -0.439 0.000 0.822 102 A HN 0.478 nan 8.150 nan 0.000 0.443 103 I N -1.707 118.770 120.570 -0.154 0.000 2.163 103 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 103 I C 2.334 178.441 176.117 -0.017 0.000 1.085 103 I CA 1.541 62.783 61.300 -0.097 0.000 1.347 103 I CB -0.350 37.576 38.000 -0.124 0.000 1.044 103 I HN 0.376 nan 8.210 nan 0.000 0.408 104 F N 0.373 120.370 119.950 0.079 0.000 2.171 104 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 104 F C 2.681 178.500 175.800 0.031 0.000 1.090 104 F CA 1.403 59.456 58.000 0.089 0.000 1.293 104 F CB -0.545 38.491 39.000 0.061 0.000 1.013 104 F HN 0.010 nan 8.300 nan 0.000 0.486 105 T N -0.136 114.515 114.554 0.161 0.000 2.622 105 T HA -0.195 4.154 4.350 -0.000 0.000 0.266 105 T C 2.134 176.867 174.700 0.056 0.000 1.047 105 T CA 1.567 63.721 62.100 0.089 0.000 1.159 105 T CB -0.671 68.197 68.868 -0.001 0.000 0.863 105 T HN -0.004 nan 8.240 nan 0.000 0.422 106 V N 1.394 121.325 119.914 0.028 0.000 2.287 106 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 106 V C 2.611 178.741 176.094 0.059 0.000 1.053 106 V CA 1.827 64.146 62.300 0.032 0.000 1.027 106 V CB -0.636 31.195 31.823 0.014 0.000 0.646 106 V HN 0.520 nan 8.190 nan 0.000 0.447 107 Q N -1.119 118.752 119.800 0.118 0.000 2.230 107 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 107 Q C 2.266 178.348 176.000 0.136 0.000 0.963 107 Q CA 1.084 57.016 55.803 0.215 0.000 0.866 107 Q CB -0.032 28.913 28.738 0.345 0.000 0.931 107 Q HN 0.564 nan 8.270 nan 0.000 0.452 108 L N 0.311 121.458 121.223 -0.126 0.000 2.131 108 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 108 L C 1.852 178.566 176.870 -0.260 0.000 1.087 108 L CA 1.295 55.754 54.840 -0.635 0.000 0.767 108 L CB -0.096 41.586 42.059 -0.628 0.000 0.917 108 L HN 0.248 nan 8.230 nan 0.000 0.441 109 D N -0.208 120.134 120.400 -0.097 0.000 2.117 109 D HA -0.283 4.357 4.640 -0.000 0.000 0.197 109 D C 1.736 178.021 176.300 -0.024 0.000 0.987 109 D CA 1.682 55.657 54.000 -0.042 0.000 0.829 109 D CB 0.106 40.911 40.800 0.008 0.000 0.961 109 D HN 0.305 nan 8.370 nan 0.000 0.460 110 D N -1.738 118.669 120.400 0.012 0.000 2.104 110 D HA -0.240 4.400 4.640 -0.000 0.000 0.194 110 D C 1.751 178.081 176.300 0.051 0.000 0.994 110 D CA 1.101 55.126 54.000 0.041 0.000 0.830 110 D CB -0.282 40.567 40.800 0.082 0.000 0.959 110 D HN 0.377 nan 8.370 nan 0.000 0.452 111 Y N 0.384 120.646 120.300 -0.064 0.000 2.352 111 Y HA 0.047 4.597 4.550 -0.000 0.000 0.292 111 Y C 1.084 176.921 175.900 -0.105 0.000 1.136 111 Y CA 0.955 59.022 58.100 -0.057 0.000 1.227 111 Y CB 0.056 38.475 38.460 -0.068 0.000 0.991 111 Y HN 0.006 nan 8.280 nan 0.000 0.545 112 L N 1.487 122.603 121.223 -0.179 0.000 2.737 112 L HA 0.060 4.400 4.340 -0.000 0.000 0.236 112 L C 0.168 176.974 176.870 -0.106 0.000 1.219 112 L CA 0.195 54.888 54.840 -0.246 0.000 1.021 112 L CB -0.595 41.260 42.059 -0.340 0.000 1.291 112 L HN 0.316 nan 8.230 nan 0.000 0.470 113 N N 0.455 119.093 118.700 -0.104 0.000 2.782 113 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 113 N C 1.068 176.567 175.510 -0.017 0.000 1.101 113 N CA 0.928 53.946 53.050 -0.053 0.000 0.764 113 N CB -1.334 37.125 38.487 -0.048 0.000 1.122 113 N HN 0.631 nan 8.380 nan 0.000 0.561 114 G N 0.180 108.973 108.800 -0.013 0.000 2.179 114 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.257 114 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.257 114 G C 0.797 175.698 174.900 0.002 0.000 1.010 114 G CA 1.094 46.188 45.100 -0.009 0.000 0.736 114 G HN 0.804 nan 8.290 nan 0.000 0.513 115 R N -0.799 119.729 120.500 0.046 0.000 2.397 115 R HA 0.721 5.061 4.340 -0.000 0.000 0.241 115 R C 1.227 177.605 176.300 0.131 0.000 0.914 115 R CA 0.610 56.754 56.100 0.074 0.000 1.071 115 R CB 0.276 30.631 30.300 0.092 0.000 1.116 115 R HN 0.871 nan 8.270 nan 0.000 0.524 116 A N 1.411 124.323 122.820 0.154 0.000 2.407 116 A HA 0.418 4.738 4.320 -0.000 0.000 0.248 116 A C 0.089 177.739 177.584 0.111 0.000 1.082 116 A CA -0.482 51.675 52.037 0.199 0.000 0.785 116 A CB 0.632 19.738 19.000 0.176 0.000 1.020 116 A HN 0.099 nan 8.150 nan 0.000 0.489 117 V N 3.076 123.068 119.914 0.129 0.000 2.498 117 V HA 0.222 4.341 4.120 -0.000 0.000 0.279 117 V C 0.301 176.396 176.094 0.002 0.000 1.048 117 V CA -0.067 62.237 62.300 0.007 0.000 0.967 117 V CB 0.838 32.648 31.823 -0.022 0.000 0.988 117 V HN 0.964 nan 8.190 nan 0.000 0.473 118 Q N 3.891 123.647 119.800 -0.073 0.000 2.309 118 Q HA 0.585 4.925 4.340 -0.000 0.000 0.264 118 Q C -1.121 174.849 176.000 -0.050 0.000 1.008 118 Q CA -0.654 55.178 55.803 0.048 0.000 0.853 118 Q CB 2.354 31.156 28.738 0.107 0.000 1.314 118 Q HN 0.766 nan 8.270 nan 0.000 0.448 119 H N 0.965 120.108 119.070 0.120 0.000 2.771 119 H HA 0.355 4.911 4.556 -0.000 0.000 0.361 119 H C -1.029 174.303 175.328 0.007 0.000 1.108 119 H CA -0.746 55.329 56.048 0.044 0.000 1.201 119 H CB 2.294 32.048 29.762 -0.013 0.000 1.681 119 H HN 0.387 nan 8.280 nan 0.000 0.534 120 R N 2.429 122.915 120.500 -0.023 0.000 2.207 120 R HA 0.152 4.492 4.340 -0.000 0.000 0.334 120 R C -0.819 175.282 176.300 -0.330 0.000 1.013 120 R CA -0.495 55.343 56.100 -0.437 0.000 0.858 120 R CB 0.636 30.737 30.300 -0.331 0.000 1.094 120 R HN 0.595 nan 8.270 nan 0.000 0.457 121 E N 3.640 123.573 120.200 -0.444 0.000 2.199 121 E HA 0.316 4.666 4.350 -0.000 0.000 0.269 121 E C -0.995 175.267 176.600 -0.564 0.000 0.899 121 E CA -0.838 55.312 56.400 -0.417 0.000 0.772 121 E CB 2.578 31.942 29.700 -0.559 0.000 1.155 121 E HN 0.247 nan 8.360 nan 0.000 0.408 122 V N 2.255 121.891 119.914 -0.464 0.000 2.588 122 V HA 0.161 4.280 4.120 -0.000 0.000 0.304 122 V C 0.253 176.051 176.094 -0.493 0.000 1.042 122 V CA -0.966 61.011 62.300 -0.538 0.000 0.877 122 V CB 1.863 33.516 31.823 -0.283 0.000 0.996 122 V HN 0.651 nan 8.190 nan 0.000 0.425 123 Q N 2.580 121.885 119.800 -0.825 0.000 2.549 123 Q HA 0.117 4.457 4.340 -0.000 0.000 0.347 123 Q C 1.263 177.102 176.000 -0.269 0.000 1.081 123 Q CA 1.604 57.055 55.803 -0.587 0.000 1.093 123 Q CB 0.110 28.415 28.738 -0.722 0.000 1.067 123 Q HN 1.368 nan 8.270 nan 0.000 0.398 124 G N 3.458 112.160 108.800 -0.163 0.000 2.205 124 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.261 124 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.261 124 G C 0.155 174.725 174.900 -0.550 0.000 0.980 124 G CA 0.292 45.234 45.100 -0.262 0.000 0.632 124 G HN 0.662 nan 8.290 nan 0.000 0.533 125 F N 1.671 121.610 119.950 -0.018 0.000 2.802 125 F HA 0.288 4.814 4.527 -0.000 0.000 0.346 125 F C 0.737 176.513 175.800 -0.040 0.000 1.229 125 F CA -0.347 57.635 58.000 -0.030 0.000 1.142 125 F CB 0.544 39.499 39.000 -0.076 0.000 1.146 125 F HN 0.218 nan 8.300 nan 0.000 0.510 126 E N 0.608 120.874 120.200 0.109 0.000 2.349 126 E HA 0.316 4.666 4.350 -0.000 0.000 0.262 126 E C 0.216 176.886 176.600 0.117 0.000 1.088 126 E CA -0.345 56.085 56.400 0.050 0.000 0.899 126 E CB 1.213 30.903 29.700 -0.017 0.000 1.044 126 E HN 0.159 nan 8.360 nan 0.000 0.420 127 S N -0.009 115.756 115.700 0.108 0.000 2.589 127 S HA 0.242 4.712 4.470 -0.000 0.000 0.265 127 S C 1.174 175.859 174.600 0.142 0.000 1.342 127 S CA -0.125 58.156 58.200 0.135 0.000 1.005 127 S CB 1.081 64.371 63.200 0.150 0.000 0.909 127 S HN 0.719 nan 8.310 nan 0.000 0.555 128 A N 1.852 124.742 122.820 0.117 0.000 1.933 128 A HA -0.005 4.314 4.320 -0.000 0.000 0.218 128 A C 2.277 179.870 177.584 0.015 0.000 1.175 128 A CA 1.984 54.059 52.037 0.064 0.000 0.628 128 A CB -1.847 17.185 19.000 0.054 0.000 0.814 128 A HN 0.898 nan 8.150 nan 0.000 0.444 129 T N -0.741 113.840 114.554 0.045 0.000 2.622 129 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 129 T C 1.613 176.065 174.700 -0.413 0.000 1.047 129 T CA 1.680 63.753 62.100 -0.046 0.000 1.159 129 T CB -0.477 68.447 68.868 0.093 0.000 0.863 129 T HN 0.461 nan 8.240 nan 0.000 0.422 130 F N 1.628 121.338 119.950 -0.400 0.000 2.063 130 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 130 F C 2.006 177.618 175.800 -0.313 0.000 1.109 130 F CA 1.384 59.115 58.000 -0.447 0.000 1.212 130 F CB -0.489 38.515 39.000 0.006 0.000 0.973 130 F HN 0.063 nan 8.300 nan 0.000 0.480 131 L N -0.417 120.835 121.223 0.048 0.000 2.141 131 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 131 L C 2.767 179.632 176.870 -0.008 0.000 1.094 131 L CA 1.104 56.019 54.840 0.125 0.000 0.763 131 L CB -1.488 40.651 42.059 0.133 0.000 0.908 131 L HN 0.326 nan 8.230 nan 0.000 0.437 132 G N -0.759 107.950 108.800 -0.152 0.000 2.462 132 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 132 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 132 G C 1.207 176.034 174.900 -0.121 0.000 1.121 132 G CA 0.406 45.429 45.100 -0.127 0.000 0.758 132 G HN 0.296 nan 8.290 nan 0.000 0.559 133 Y N -0.242 119.830 120.300 -0.380 0.000 2.497 133 Y HA 0.188 4.738 4.550 -0.000 0.000 0.292 133 Y C 0.423 175.784 175.900 -0.898 0.000 1.137 133 Y CA -0.814 56.824 58.100 -0.770 0.000 1.285 133 Y CB -0.522 37.141 38.460 -1.330 0.000 0.991 133 Y HN 0.166 nan 8.280 nan 0.000 0.556 134 F N -0.391 119.523 119.950 -0.060 0.000 2.564 134 F HA 0.421 4.948 4.527 -0.000 0.000 0.368 134 F C 1.057 176.809 175.800 -0.080 0.000 1.127 134 F CA -1.068 56.881 58.000 -0.085 0.000 1.170 134 F CB 0.927 39.855 39.000 -0.120 0.000 1.397 134 F HN -0.387 nan 8.300 nan 0.000 0.493 135 K N 0.203 120.623 120.400 0.033 0.000 2.116 135 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 135 K C 1.674 178.271 176.600 -0.005 0.000 1.052 135 K CA 0.632 56.919 56.287 0.001 0.000 0.952 135 K CB -0.025 32.454 32.500 -0.035 0.000 0.729 135 K HN 0.371 nan 8.250 nan 0.000 0.446 136 S N 0.272 115.968 115.700 -0.006 0.000 2.547 136 S HA 0.049 4.519 4.470 -0.000 0.000 0.235 136 S C 0.894 175.469 174.600 -0.043 0.000 0.980 136 S CA 0.678 58.859 58.200 -0.031 0.000 0.941 136 S CB -0.169 63.010 63.200 -0.036 0.000 0.763 136 S HN 0.572 nan 8.310 nan 0.000 0.532 137 G N 0.418 109.209 108.800 -0.014 0.000 2.592 137 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.684 137 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.684 137 G C -1.362 173.462 174.900 -0.126 0.000 1.291 137 G CA -1.134 43.927 45.100 -0.065 0.000 0.891 137 G HN 0.171 nan 8.290 nan 0.000 0.544 138 L N 0.214 121.289 121.223 -0.247 0.000 2.334 138 L HA 0.651 4.990 4.340 -0.000 0.000 0.275 138 L C 0.696 177.299 176.870 -0.445 0.000 1.036 138 L CA -0.355 54.254 54.840 -0.387 0.000 0.807 138 L CB 1.706 43.486 42.059 -0.465 0.000 1.231 138 L HN 0.560 nan 8.230 nan 0.000 0.438 139 K N 2.856 123.031 120.400 -0.376 0.000 2.339 139 K HA 0.380 4.700 4.320 -0.000 0.000 0.264 139 K C -1.387 175.099 176.600 -0.190 0.000 0.986 139 K CA -0.400 55.697 56.287 -0.316 0.000 0.866 139 K CB 1.005 33.358 32.500 -0.244 0.000 1.103 139 K HN 0.450 nan 8.250 nan 0.000 0.441 140 Y N 2.908 123.168 120.300 -0.066 0.000 2.452 140 Y HA 0.157 4.707 4.550 -0.000 0.000 0.348 140 Y C 0.406 176.282 175.900 -0.039 0.000 0.985 140 Y CA -0.772 57.330 58.100 0.003 0.000 1.214 140 Y CB 0.787 39.293 38.460 0.077 0.000 1.136 140 Y HN 0.221 nan 8.280 nan 0.000 0.523 141 K N 3.737 124.179 120.400 0.070 0.000 2.123 141 K HA 0.338 4.658 4.320 -0.000 0.000 0.259 141 K C -0.464 176.226 176.600 0.150 0.000 0.960 141 K CA -1.125 55.136 56.287 -0.044 0.000 0.872 141 K CB 1.389 33.617 32.500 -0.452 0.000 1.079 141 K HN 0.449 nan 8.250 nan 0.000 0.440 142 K N 1.644 122.110 120.400 0.111 0.000 2.322 142 K HA 0.266 4.586 4.320 -0.000 0.000 0.283 142 K C 0.427 177.151 176.600 0.206 0.000 1.042 142 K CA 0.209 56.575 56.287 0.132 0.000 0.958 142 K CB 0.987 33.504 32.500 0.030 0.000 0.984 142 K HN 0.899 nan 8.250 nan 0.000 0.473 143 G N 1.224 110.183 108.800 0.266 0.000 2.472 143 G HA2 0.135 4.095 3.960 -0.000 0.000 0.205 143 G HA3 0.135 4.095 3.960 -0.000 0.000 0.205 143 G C -0.153 174.881 174.900 0.225 0.000 1.270 143 G CA -0.521 44.754 45.100 0.291 0.000 0.974 143 G HN 0.997 nan 8.290 nan 0.000 0.542 144 G N -3.500 105.281 108.800 -0.032 0.000 2.367 144 G HA2 0.535 4.495 3.960 -0.000 0.000 0.272 144 G HA3 0.535 4.495 3.960 -0.000 0.000 0.272 144 G C 0.752 175.508 174.900 -0.240 0.000 1.271 144 G CA 0.796 45.737 45.100 -0.264 0.000 0.893 144 G HN 1.716 nan 8.290 nan 0.000 0.485 145 V N 1.309 121.142 119.914 -0.135 0.000 2.358 145 V HA 0.037 4.156 4.120 -0.000 0.000 0.246 145 V C 3.298 179.336 176.094 -0.094 0.000 1.047 145 V CA 3.196 65.434 62.300 -0.103 0.000 1.035 145 V CB -1.003 30.804 31.823 -0.027 0.000 0.658 145 V HN 1.178 nan 8.190 nan 0.000 0.452 146 A N 0.471 123.258 122.820 -0.054 0.000 2.067 146 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 146 A C 2.248 179.783 177.584 -0.082 0.000 1.158 146 A CA 1.740 53.749 52.037 -0.047 0.000 0.661 146 A CB -0.416 18.578 19.000 -0.010 0.000 0.801 146 A HN 0.618 nan 8.150 nan 0.000 0.452 147 S N -1.880 113.757 115.700 -0.106 0.000 2.575 147 S HA 0.409 4.879 4.470 -0.000 0.000 0.215 147 S C 1.360 175.634 174.600 -0.542 0.000 0.966 147 S CA 0.665 58.754 58.200 -0.184 0.000 0.911 147 S CB 0.189 63.418 63.200 0.048 0.000 0.780 147 S HN 1.677 nan 8.310 nan 0.000 0.514 148 G N 0.914 109.448 108.800 -0.444 0.000 2.176 148 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 148 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 148 G C -0.077 174.491 174.900 -0.554 0.000 0.979 148 G CA -0.367 44.443 45.100 -0.484 0.000 0.641 148 G HN 0.499 nan 8.290 nan 0.000 0.530 149 F N 1.794 121.607 119.950 -0.229 0.000 2.375 149 F HA 0.612 5.139 4.527 -0.000 0.000 0.333 149 F C 1.074 176.645 175.800 -0.382 0.000 1.104 149 F CA 0.032 57.852 58.000 -0.299 0.000 1.149 149 F CB 1.119 39.866 39.000 -0.422 0.000 1.190 149 F HN 0.173 nan 8.300 nan 0.000 0.533 150 K N 1.047 121.506 120.400 0.097 0.000 2.466 150 K HA 0.417 4.737 4.320 -0.000 0.000 0.260 150 K C -1.084 175.761 176.600 0.408 0.000 1.011 150 K CA -0.994 55.401 56.287 0.179 0.000 0.871 150 K CB 1.545 34.139 32.500 0.157 0.000 1.404 150 K HN 0.623 nan 8.250 nan 0.000 0.450 151 H N 0.461 119.759 119.070 0.379 0.000 2.640 151 H HA 0.307 4.863 4.556 -0.000 0.000 0.220 151 H C -0.661 174.764 175.328 0.160 0.000 1.852 151 H CA -0.304 55.908 56.048 0.273 0.000 1.275 151 H CB 0.191 30.073 29.762 0.199 0.000 1.675 151 H HN 0.137 nan 8.280 nan 0.000 0.523 152 V N 1.451 121.520 119.914 0.259 0.000 3.181 152 V HA 0.449 4.568 4.120 -0.000 0.000 0.308 152 V C -1.080 175.092 176.094 0.131 0.000 1.214 152 V CA -0.852 61.543 62.300 0.160 0.000 1.053 152 V CB 3.124 35.026 31.823 0.131 0.000 1.069 152 V HN 0.348 nan 8.190 nan 0.000 0.441 153 V N 1.109 121.077 119.914 0.089 0.000 2.795 153 V HA 0.446 4.566 4.120 -0.000 0.000 0.272 153 V C -2.749 173.376 176.094 0.051 0.000 1.130 153 V CA -1.501 60.844 62.300 0.075 0.000 0.931 153 V CB 0.604 32.470 31.823 0.072 0.000 1.062 153 V HN 0.761 nan 8.190 nan 0.000 0.476 154 P HA -0.039 nan 4.420 nan 0.000 0.252 154 P C 0.372 177.689 177.300 0.029 0.000 1.136 154 P CA 0.805 63.927 63.100 0.036 0.000 0.778 154 P CB 0.085 31.808 31.700 0.038 0.000 0.722 155 N N 4.470 123.182 118.700 0.021 0.000 2.132 155 N HA -0.158 4.581 4.740 -0.000 0.000 0.280 155 N C 0.605 176.126 175.510 0.017 0.000 1.318 155 N CA 1.061 54.120 53.050 0.016 0.000 0.822 155 N CB 0.079 38.572 38.487 0.011 0.000 1.058 155 N HN 0.536 nan 8.380 nan 0.000 0.489 156 E N -1.978 118.232 120.200 0.017 0.000 4.341 156 E HA -0.125 4.224 4.350 -0.000 0.000 0.365 156 E C -0.746 175.868 176.600 0.024 0.000 0.654 156 E CA -0.047 56.364 56.400 0.019 0.000 1.490 156 E CB -1.230 28.481 29.700 0.018 0.000 1.804 156 E HN 0.345 nan 8.360 nan 0.000 0.362 157 V N 1.295 121.225 119.914 0.027 0.000 2.655 157 V HA 0.135 4.254 4.120 -0.000 0.000 0.300 157 V C 0.982 177.095 176.094 0.032 0.000 1.044 157 V CA -0.210 62.111 62.300 0.034 0.000 1.095 157 V CB 1.238 33.085 31.823 0.041 0.000 0.952 157 V HN 0.018 nan 8.190 nan 0.000 0.485 158 V N 5.573 125.509 119.914 0.036 0.000 2.465 158 V HA 0.547 4.666 4.120 -0.000 0.000 0.279 158 V C 0.054 176.168 176.094 0.035 0.000 1.045 158 V CA -0.027 62.293 62.300 0.034 0.000 0.938 158 V CB 1.591 33.434 31.823 0.034 0.000 0.986 158 V HN 0.800 nan 8.190 nan 0.000 0.467 159 V N 5.433 125.365 119.914 0.030 0.000 2.888 159 V HA 0.692 4.812 4.120 -0.000 0.000 0.309 159 V C -1.001 175.106 176.094 0.022 0.000 1.114 159 V CA -0.314 62.000 62.300 0.024 0.000 0.940 159 V CB 2.020 33.854 31.823 0.018 0.000 1.021 159 V HN 0.978 nan 8.190 nan 0.000 0.426 160 Q N 5.801 125.607 119.800 0.011 0.000 2.961 160 Q HA 0.557 4.897 4.340 -0.000 0.000 0.223 160 Q C -0.951 175.042 176.000 -0.012 0.000 0.859 160 Q CA -0.636 55.169 55.803 0.003 0.000 0.771 160 Q CB 1.137 29.874 28.738 -0.001 0.000 1.389 160 Q HN 0.997 nan 8.270 nan 0.000 0.460 161 R N 1.815 122.309 120.500 -0.010 0.000 2.799 161 R HA 0.684 5.024 4.340 -0.000 0.000 0.270 161 R C -1.632 174.658 176.300 -0.017 0.000 1.010 161 R CA -1.018 55.068 56.100 -0.023 0.000 0.916 161 R CB 1.553 31.833 30.300 -0.033 0.000 1.228 161 R HN 0.338 nan 8.270 nan 0.000 0.469 162 L N 2.540 123.746 121.223 -0.028 0.000 2.356 162 L HA 0.517 4.856 4.340 -0.000 0.000 0.277 162 L C -1.485 175.374 176.870 -0.020 0.000 0.996 162 L CA -1.160 53.665 54.840 -0.025 0.000 0.822 162 L CB 1.795 43.816 42.059 -0.063 0.000 1.256 162 L HN 0.583 nan 8.230 nan 0.000 0.413 163 L N 4.458 125.674 121.223 -0.011 0.000 2.313 163 L HA 0.434 4.774 4.340 -0.000 0.000 0.283 163 L C -0.146 176.662 176.870 -0.104 0.000 1.013 163 L CA -0.174 54.635 54.840 -0.051 0.000 0.816 163 L CB 1.714 43.736 42.059 -0.063 0.000 1.236 163 L HN 0.551 nan 8.230 nan 0.000 0.419 164 Q N 2.789 122.475 119.800 -0.190 0.000 2.303 164 Q HA 0.482 4.821 4.340 -0.000 0.000 0.257 164 Q C -1.356 174.405 176.000 -0.398 0.000 0.941 164 Q CA -0.617 54.875 55.803 -0.519 0.000 0.931 164 Q CB 1.569 30.075 28.738 -0.387 0.000 1.215 164 Q HN 0.489 nan 8.270 nan 0.000 0.437 165 V N 4.804 124.448 119.914 -0.451 0.000 2.394 165 V HA 0.458 4.578 4.120 -0.000 0.000 0.282 165 V C -0.362 175.597 176.094 -0.226 0.000 1.031 165 V CA -0.483 61.658 62.300 -0.266 0.000 0.881 165 V CB 1.387 33.097 31.823 -0.189 0.000 0.982 165 V HN 0.728 nan 8.190 nan 0.000 0.451 166 K N 2.655 122.960 120.400 -0.159 0.000 2.482 166 K HA 0.743 5.063 4.320 -0.000 0.000 0.251 166 K C -0.273 176.287 176.600 -0.067 0.000 0.936 166 K CA -0.159 56.067 56.287 -0.101 0.000 0.791 166 K CB 2.198 34.645 32.500 -0.089 0.000 1.213 166 K HN 1.130 nan 8.250 nan 0.000 0.428 167 G N 1.879 110.665 108.800 -0.023 0.000 2.697 167 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.684 167 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.684 167 G C -0.596 174.334 174.900 0.049 0.000 1.274 167 G CA -0.719 44.385 45.100 0.007 0.000 0.806 167 G HN 0.619 nan 8.290 nan 0.000 0.644 168 R N 0.148 120.713 120.500 0.109 0.000 2.087 168 R HA 0.185 4.524 4.340 -0.000 0.000 0.213 168 R C 2.770 179.223 176.300 0.255 0.000 1.137 168 R CA 1.082 57.327 56.100 0.241 0.000 1.022 168 R CB -0.105 30.339 30.300 0.239 0.000 0.920 168 R HN 0.542 nan 8.270 nan 0.000 0.451 169 R N -0.202 120.391 120.500 0.154 0.000 2.105 169 R HA 0.124 4.464 4.340 -0.000 0.000 0.214 169 R C 0.646 176.989 176.300 0.072 0.000 1.091 169 R CA 0.521 56.695 56.100 0.123 0.000 1.007 169 R CB -0.502 29.847 30.300 0.081 0.000 0.912 169 R HN 0.137 nan 8.270 nan 0.000 0.450 170 V N 3.085 123.028 119.914 0.048 0.000 2.349 170 V HA 0.420 4.540 4.120 -0.000 0.000 0.284 170 V C -0.442 175.647 176.094 -0.009 0.000 1.014 170 V CA -1.003 61.311 62.300 0.022 0.000 0.826 170 V CB 1.528 33.370 31.823 0.031 0.000 1.009 170 V HN 0.060 nan 8.190 nan 0.000 0.431 171 V N 7.238 127.131 119.914 -0.035 0.000 2.509 171 V HA 0.723 4.843 4.120 -0.000 0.000 0.284 171 V C -0.152 175.859 176.094 -0.139 0.000 1.047 171 V CA -0.370 61.883 62.300 -0.078 0.000 0.952 171 V CB 1.403 33.173 31.823 -0.088 0.000 0.988 171 V HN 0.989 nan 8.190 nan 0.000 0.469 172 R N 5.117 125.512 120.500 -0.175 0.000 2.473 172 R HA 0.692 5.032 4.340 -0.000 0.000 0.303 172 R C -0.519 175.619 176.300 -0.269 0.000 1.002 172 R CA -0.261 55.659 56.100 -0.301 0.000 0.884 172 R CB 1.961 32.094 30.300 -0.279 0.000 1.173 172 R HN 0.978 nan 8.270 nan 0.000 0.464 173 A N 2.652 125.297 122.820 -0.292 0.000 2.316 173 A HA 0.324 4.644 4.320 -0.000 0.000 0.311 173 A C -0.134 177.327 177.584 -0.204 0.000 1.339 173 A CA -0.203 51.700 52.037 -0.224 0.000 0.960 173 A CB 0.445 19.334 19.000 -0.185 0.000 1.152 173 A HN 0.547 nan 8.150 nan 0.000 0.547 174 T N 3.144 117.627 114.554 -0.119 0.000 2.767 174 T HA 0.233 4.583 4.350 -0.000 0.000 0.288 174 T C 0.021 174.712 174.700 -0.014 0.000 0.963 174 T CA -0.288 61.811 62.100 -0.001 0.000 1.019 174 T CB 0.701 69.615 68.868 0.077 0.000 0.923 174 T HN 0.703 nan 8.240 nan 0.000 0.468 175 E N 2.328 122.531 120.200 0.004 0.000 2.493 175 E HA 0.263 4.613 4.350 -0.000 0.000 0.255 175 E C 0.291 176.900 176.600 0.015 0.000 0.999 175 E CA -0.225 56.171 56.400 -0.006 0.000 0.934 175 E CB 0.456 30.147 29.700 -0.014 0.000 0.940 175 E HN 0.485 nan 8.360 nan 0.000 0.473 176 V N 0.902 120.818 119.914 0.003 0.000 3.126 176 V HA 0.595 4.715 4.120 -0.000 0.000 0.314 176 V C -2.620 173.472 176.094 -0.004 0.000 1.138 176 V CA -2.967 59.341 62.300 0.013 0.000 1.034 176 V CB 1.404 33.245 31.823 0.029 0.000 1.075 176 V HN 0.403 nan 8.190 nan 0.000 0.442 177 P HA 0.147 nan 4.420 nan 0.000 0.266 177 P C -0.345 176.934 177.300 -0.036 0.000 1.195 177 P CA 0.056 63.150 63.100 -0.009 0.000 0.768 177 P CB 0.412 32.115 31.700 0.005 0.000 0.838 178 V N 3.450 123.336 119.914 -0.048 0.000 2.341 178 V HA 0.305 4.425 4.120 -0.000 0.000 0.248 178 V C 0.576 176.604 176.094 -0.110 0.000 1.107 178 V CA 0.931 63.181 62.300 -0.083 0.000 1.069 178 V CB -0.798 30.977 31.823 -0.080 0.000 1.177 178 V HN 0.694 nan 8.190 nan 0.000 0.492 179 S N 3.314 118.941 115.700 -0.122 0.000 2.580 179 S HA 0.272 4.742 4.470 -0.000 0.000 0.281 179 S C -0.211 174.355 174.600 -0.057 0.000 1.129 179 S CA -0.719 57.408 58.200 -0.121 0.000 0.862 179 S CB 0.651 63.836 63.200 -0.025 0.000 1.090 179 S HN 0.530 nan 8.310 nan 0.000 0.451 180 W N 1.917 123.181 121.300 -0.059 0.000 2.421 180 W HA 0.005 4.665 4.660 -0.000 0.000 0.270 180 W C 1.961 178.472 176.519 -0.014 0.000 1.233 180 W CA 0.846 58.102 57.345 -0.148 0.000 1.226 180 W CB 0.071 29.364 29.460 -0.278 0.000 1.121 180 W HN 0.773 nan 8.180 nan 0.000 0.579 181 E N -0.355 119.966 120.200 0.202 0.000 2.268 181 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 181 E C 1.940 178.612 176.600 0.121 0.000 0.995 181 E CA 1.208 57.690 56.400 0.137 0.000 0.836 181 E CB -0.273 29.480 29.700 0.089 0.000 0.763 181 E HN 0.157 nan 8.360 nan 0.000 0.491 182 S N 0.313 116.070 115.700 0.096 0.000 2.489 182 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 182 S C 0.500 175.093 174.600 -0.011 0.000 0.995 182 S CA 0.379 58.603 58.200 0.041 0.000 0.934 182 S CB -0.041 63.134 63.200 -0.041 0.000 0.771 182 S HN 0.079 nan 8.310 nan 0.000 0.522 183 F N 2.750 122.548 119.950 -0.253 0.000 2.378 183 F HA 0.404 4.931 4.527 -0.000 0.000 0.319 183 F C 0.723 176.501 175.800 -0.037 0.000 1.155 183 F CA -0.636 57.020 58.000 -0.572 0.000 1.157 183 F CB 0.702 39.325 39.000 -0.628 0.000 1.252 183 F HN 0.184 nan 8.300 nan 0.000 0.550 184 N N -1.105 117.812 118.700 0.361 0.000 2.853 184 N HA 0.220 4.960 4.740 -0.000 0.000 0.258 184 N C -0.784 175.053 175.510 0.545 0.000 1.444 184 N CA -0.902 52.385 53.050 0.396 0.000 0.837 184 N CB 0.371 39.064 38.487 0.343 0.000 1.489 184 N HN 0.339 nan 8.380 nan 0.000 0.529 185 N N -2.093 116.846 118.700 0.398 0.000 2.398 185 N HA 0.181 4.921 4.740 -0.000 0.000 0.188 185 N C 0.954 176.646 175.510 0.302 0.000 1.122 185 N CA 0.574 53.854 53.050 0.383 0.000 0.866 185 N CB 0.015 38.640 38.487 0.230 0.000 0.970 185 N HN 0.697 nan 8.380 nan 0.000 0.462 186 G N -0.790 108.194 108.800 0.308 0.000 2.559 186 G HA2 0.031 3.991 3.960 -0.000 0.000 0.209 186 G HA3 0.031 3.991 3.960 -0.000 0.000 0.209 186 G C 0.215 175.250 174.900 0.225 0.000 1.151 186 G CA -0.033 45.198 45.100 0.219 0.000 0.824 186 G HN 0.219 nan 8.290 nan 0.000 0.543 187 D N -0.565 120.022 120.400 0.312 0.000 2.432 187 D HA 0.437 5.076 4.640 -0.000 0.000 0.258 187 D C -0.216 176.248 176.300 0.273 0.000 1.146 187 D CA -0.297 53.803 54.000 0.167 0.000 1.015 187 D CB 1.530 42.290 40.800 -0.067 0.000 1.107 187 D HN -0.004 nan 8.370 nan 0.000 0.529 188 c N 0.630 119.261 118.600 0.052 0.000 2.366 188 c HA 0.610 5.180 4.570 -0.000 0.000 0.345 188 c C -0.325 173.695 174.090 -0.117 0.000 1.209 188 c CA -0.528 55.906 56.329 0.173 0.000 2.050 188 c CB -0.425 42.136 42.510 0.084 0.000 2.359 188 c HN 0.347 nan 8.230 nan 0.000 0.527 189 F N 1.418 121.524 119.950 0.260 0.000 2.588 189 F HA 0.695 5.222 4.527 -0.000 0.000 0.314 189 F C -0.056 175.829 175.800 0.142 0.000 1.069 189 F CA -0.806 57.228 58.000 0.057 0.000 0.931 189 F CB 1.069 39.915 39.000 -0.257 0.000 1.260 189 F HN 0.249 nan 8.300 nan 0.000 0.465 190 I N 3.368 124.067 120.570 0.215 0.000 2.439 190 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 190 I C -1.309 174.902 176.117 0.157 0.000 1.021 190 I CA -0.756 60.657 61.300 0.188 0.000 1.091 190 I CB 1.875 39.928 38.000 0.089 0.000 1.242 190 I HN 0.309 nan 8.210 nan 0.000 0.439 191 L N 6.639 127.990 121.223 0.213 0.000 2.302 191 L HA 0.367 4.707 4.340 -0.000 0.000 0.285 191 L C -0.210 176.771 176.870 0.185 0.000 1.090 191 L CA 0.100 55.032 54.840 0.154 0.000 0.866 191 L CB 0.281 42.409 42.059 0.116 0.000 1.244 191 L HN 0.414 nan 8.230 nan 0.000 0.435 192 D N 4.361 124.822 120.400 0.102 0.000 2.393 192 D HA 0.113 4.753 4.640 -0.000 0.000 0.232 192 D C 0.295 176.644 176.300 0.082 0.000 1.192 192 D CA -0.128 53.920 54.000 0.081 0.000 0.882 192 D CB 0.934 41.752 40.800 0.030 0.000 1.038 192 D HN 0.423 nan 8.370 nan 0.000 0.499 193 L N 3.201 124.500 121.223 0.127 0.000 2.741 193 L HA 0.349 4.689 4.340 -0.000 0.000 0.237 193 L C 1.685 178.600 176.870 0.076 0.000 1.178 193 L CA 0.479 55.389 54.840 0.116 0.000 0.973 193 L CB -0.048 42.136 42.059 0.209 0.000 1.255 193 L HN 0.776 nan 8.230 nan 0.000 0.498 194 G N 0.171 108.999 108.800 0.048 0.000 4.933 194 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.285 194 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.285 194 G C 1.193 176.102 174.900 0.015 0.000 1.596 194 G CA 0.346 45.463 45.100 0.028 0.000 1.081 194 G HN 0.335 nan 8.290 nan 0.000 0.710 195 N N 1.843 120.556 118.700 0.021 0.000 2.396 195 N HA 0.035 4.775 4.740 -0.000 0.000 0.180 195 N C 0.028 175.529 175.510 -0.016 0.000 1.028 195 N CA 0.569 53.623 53.050 0.006 0.000 0.893 195 N CB -0.027 38.470 38.487 0.017 0.000 0.967 195 N HN 0.390 nan 8.380 nan 0.000 0.440 196 N N 0.746 119.439 118.700 -0.011 0.000 2.296 196 N HA 0.346 5.086 4.740 -0.000 0.000 0.294 196 N C -1.308 174.106 175.510 -0.161 0.000 1.033 196 N CA -0.308 52.667 53.050 -0.125 0.000 0.839 196 N CB 2.448 40.896 38.487 -0.066 0.000 1.395 196 N HN -0.059 nan 8.380 nan 0.000 0.479 197 I N 2.489 122.897 120.570 -0.270 0.000 2.362 197 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 197 I C -0.964 175.006 176.117 -0.246 0.000 0.994 197 I CA -0.657 60.559 61.300 -0.139 0.000 1.158 197 I CB 0.842 38.804 38.000 -0.063 0.000 1.315 197 I HN 0.356 nan 8.210 nan 0.000 0.451 198 Y N 5.131 125.519 120.300 0.147 0.000 2.491 198 Y HA 0.308 4.858 4.550 -0.000 0.000 0.334 198 Y C 0.296 176.369 175.900 0.287 0.000 0.969 198 Y CA -0.477 57.769 58.100 0.244 0.000 1.241 198 Y CB 0.947 39.505 38.460 0.163 0.000 1.105 198 Y HN 0.486 nan 8.280 nan 0.000 0.503 199 Q N 3.878 123.920 119.800 0.403 0.000 2.314 199 Q HA 0.141 4.480 4.340 -0.000 0.000 0.257 199 Q C -1.355 174.964 176.000 0.531 0.000 0.975 199 Q CA -0.532 55.494 55.803 0.372 0.000 0.933 199 Q CB 0.806 29.666 28.738 0.204 0.000 1.195 199 Q HN 0.804 nan 8.270 nan 0.000 0.426 200 W N 4.828 126.345 121.300 0.362 0.000 2.573 200 W HA 0.513 5.173 4.660 -0.000 0.000 0.326 200 W C -1.531 175.211 176.519 0.373 0.000 1.049 200 W CA -0.445 57.143 57.345 0.406 0.000 1.220 200 W CB 1.153 30.903 29.460 0.483 0.000 1.373 200 W HN 0.588 nan 8.180 nan 0.000 0.507 201 c N 5.204 123.734 118.600 -0.117 0.000 2.396 201 c HA 0.671 5.241 4.570 -0.000 0.000 0.321 201 c C 1.011 174.735 174.090 -0.609 0.000 1.233 201 c CA -0.574 55.677 56.329 -0.130 0.000 1.440 201 c CB 0.513 43.001 42.510 -0.037 0.000 2.110 201 c HN 0.905 nan 8.230 nan 0.000 0.473 202 G N 2.098 110.711 108.800 -0.312 0.000 2.690 202 G HA2 0.287 4.246 3.960 -0.000 0.000 0.239 202 G HA3 0.287 4.246 3.960 -0.000 0.000 0.239 202 G C 1.078 175.884 174.900 -0.157 0.000 1.233 202 G CA 0.536 45.489 45.100 -0.245 0.000 0.847 202 G HN 1.019 nan 8.290 nan 0.000 0.588 203 S N 0.009 115.662 115.700 -0.078 0.000 2.383 203 S HA -0.060 4.409 4.470 -0.000 0.000 0.227 203 S C 1.555 176.159 174.600 0.007 0.000 1.026 203 S CA 0.961 59.137 58.200 -0.040 0.000 0.981 203 S CB -0.008 63.188 63.200 -0.007 0.000 0.818 203 S HN 0.538 nan 8.310 nan 0.000 0.472 204 K N 2.669 123.098 120.400 0.048 0.000 2.504 204 K HA 0.167 4.487 4.320 -0.000 0.000 0.199 204 K C 0.448 177.089 176.600 0.067 0.000 1.028 204 K CA 0.164 56.487 56.287 0.060 0.000 1.164 204 K CB 0.022 32.569 32.500 0.080 0.000 0.877 204 K HN 0.583 nan 8.250 nan 0.000 0.508 205 S N 1.765 117.497 115.700 0.054 0.000 2.545 205 S HA 0.101 4.571 4.470 -0.000 0.000 0.275 205 S C 0.131 174.765 174.600 0.057 0.000 1.299 205 S CA -0.936 57.302 58.200 0.064 0.000 1.048 205 S CB 1.052 64.285 63.200 0.056 0.000 0.938 205 S HN 0.293 nan 8.310 nan 0.000 0.496 206 N N 2.760 121.507 118.700 0.078 0.000 2.483 206 N HA 0.175 4.915 4.740 -0.000 0.000 0.269 206 N C 0.715 176.287 175.510 0.102 0.000 1.209 206 N CA -0.572 52.534 53.050 0.092 0.000 0.969 206 N CB 0.682 39.238 38.487 0.115 0.000 1.173 206 N HN 0.755 nan 8.380 nan 0.000 0.475 207 R N 0.850 121.417 120.500 0.111 0.000 2.148 207 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 207 R C 1.574 177.960 176.300 0.142 0.000 1.088 207 R CA 0.889 57.050 56.100 0.101 0.000 0.985 207 R CB -0.342 30.012 30.300 0.091 0.000 0.880 207 R HN 0.565 nan 8.270 nan 0.000 0.451 208 F N 2.150 122.133 119.950 0.054 0.000 2.146 208 F HA -0.127 4.399 4.527 -0.000 0.000 0.298 208 F C 1.889 177.717 175.800 0.046 0.000 1.096 208 F CA 1.514 59.554 58.000 0.066 0.000 1.275 208 F CB 0.011 39.061 39.000 0.083 0.000 1.008 208 F HN -0.107 nan 8.300 nan 0.000 0.480 209 E N -0.179 120.080 120.200 0.098 0.000 2.110 209 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 209 E C 2.286 178.846 176.600 -0.066 0.000 0.988 209 E CA 1.334 57.730 56.400 -0.007 0.000 0.804 209 E CB -0.099 29.640 29.700 0.065 0.000 0.745 209 E HN 0.365 nan 8.360 nan 0.000 0.458 210 R N -0.011 120.472 120.500 -0.028 0.000 2.081 210 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 210 R C 2.426 178.680 176.300 -0.076 0.000 1.131 210 R CA 1.012 57.093 56.100 -0.032 0.000 0.960 210 R CB -0.422 29.873 30.300 -0.009 0.000 0.856 210 R HN 0.153 nan 8.270 nan 0.000 0.436 211 L N 1.595 122.745 121.223 -0.121 0.000 2.042 211 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 211 L C 1.878 178.631 176.870 -0.194 0.000 1.076 211 L CA 1.889 56.637 54.840 -0.155 0.000 0.749 211 L CB -0.203 41.742 42.059 -0.190 0.000 0.893 211 L HN -0.059 nan 8.230 nan 0.000 0.432 212 K N -0.021 120.215 120.400 -0.273 0.000 2.025 212 K HA -0.001 4.319 4.320 -0.000 0.000 0.207 212 K C 2.167 178.684 176.600 -0.138 0.000 1.049 212 K CA 1.438 57.585 56.287 -0.233 0.000 0.933 212 K CB -0.961 31.378 32.500 -0.268 0.000 0.714 212 K HN 0.464 nan 8.250 nan 0.000 0.438 213 A N 1.054 123.810 122.820 -0.107 0.000 1.978 213 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 213 A C 2.327 179.880 177.584 -0.051 0.000 1.170 213 A CA 2.242 54.239 52.037 -0.066 0.000 0.636 213 A CB -0.975 18.008 19.000 -0.027 0.000 0.810 213 A HN 0.343 nan 8.150 nan 0.000 0.448 214 T N -0.044 114.476 114.554 -0.058 0.000 2.708 214 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 214 T C 2.039 176.702 174.700 -0.061 0.000 1.037 214 T CA 1.789 63.858 62.100 -0.052 0.000 1.146 214 T CB -0.283 68.549 68.868 -0.059 0.000 0.865 214 T HN 0.646 nan 8.240 nan 0.000 0.435 215 Q N 0.122 119.875 119.800 -0.078 0.000 2.135 215 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 215 Q C 2.506 178.464 176.000 -0.070 0.000 0.981 215 Q CA 1.154 56.912 55.803 -0.076 0.000 0.856 215 Q CB -0.332 28.354 28.738 -0.087 0.000 0.902 215 Q HN 0.345 nan 8.270 nan 0.000 0.425 216 V N -0.162 119.707 119.914 -0.074 0.000 2.358 216 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 216 V C 2.152 178.210 176.094 -0.060 0.000 1.047 216 V CA 1.785 64.040 62.300 -0.074 0.000 1.035 216 V CB -0.427 31.345 31.823 -0.085 0.000 0.658 216 V HN 0.278 nan 8.190 nan 0.000 0.452 217 S N -0.591 115.082 115.700 -0.045 0.000 2.356 217 S HA -0.261 4.209 4.470 -0.000 0.000 0.223 217 S C 2.050 176.625 174.600 -0.042 0.000 1.032 217 S CA 1.948 60.129 58.200 -0.032 0.000 1.005 217 S CB -0.318 62.874 63.200 -0.014 0.000 0.867 217 S HN 0.558 nan 8.310 nan 0.000 0.449 218 K N 0.658 121.030 120.400 -0.047 0.000 2.074 218 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 218 K C 2.179 178.748 176.600 -0.053 0.000 1.048 218 K CA 1.438 57.695 56.287 -0.050 0.000 0.926 218 K CB -0.603 31.865 32.500 -0.053 0.000 0.713 218 K HN 0.392 nan 8.250 nan 0.000 0.444 219 G N 1.199 109.965 108.800 -0.057 0.000 2.418 219 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.217 219 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.217 219 G C 1.491 176.356 174.900 -0.059 0.000 1.158 219 G CA 1.012 46.075 45.100 -0.060 0.000 0.771 219 G HN 0.274 nan 8.290 nan 0.000 0.545 220 I N 0.012 120.548 120.570 -0.057 0.000 2.226 220 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 220 I C 2.842 178.932 176.117 -0.045 0.000 1.100 220 I CA 1.141 62.410 61.300 -0.052 0.000 1.374 220 I CB -0.219 37.753 38.000 -0.046 0.000 1.057 220 I HN 0.106 nan 8.210 nan 0.000 0.413 221 R N 0.895 121.368 120.500 -0.045 0.000 2.073 221 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 221 R C 1.780 178.054 176.300 -0.043 0.000 1.134 221 R CA 2.122 58.197 56.100 -0.043 0.000 0.952 221 R CB -0.179 30.093 30.300 -0.045 0.000 0.850 221 R HN 0.308 nan 8.270 nan 0.000 0.433 222 D N -0.205 120.167 120.400 -0.048 0.000 2.162 222 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 222 D C 1.384 177.652 176.300 -0.053 0.000 0.967 222 D CA 0.972 54.942 54.000 -0.050 0.000 0.840 222 D CB -0.134 40.634 40.800 -0.053 0.000 0.972 222 D HN 0.293 nan 8.370 nan 0.000 0.482 223 N N 0.492 119.158 118.700 -0.057 0.000 2.428 223 N HA 0.013 4.753 4.740 -0.000 0.000 0.181 223 N C 0.594 176.072 175.510 -0.055 0.000 1.028 223 N CA 0.338 53.350 53.050 -0.063 0.000 0.877 223 N CB 0.416 38.860 38.487 -0.071 0.000 1.064 223 N HN 0.322 nan 8.380 nan 0.000 0.434 224 E N 0.753 120.924 120.200 -0.047 0.000 2.351 224 E HA 0.275 4.625 4.350 -0.000 0.000 0.255 224 E C 0.341 176.922 176.600 -0.030 0.000 1.188 224 E CA -0.609 55.771 56.400 -0.033 0.000 0.940 224 E CB 0.824 30.506 29.700 -0.031 0.000 1.094 224 E HN -0.058 nan 8.360 nan 0.000 0.474 225 R N -0.772 119.715 120.500 -0.021 0.000 4.002 225 R HA -0.217 4.123 4.340 -0.000 0.000 0.443 225 R C 0.078 176.364 176.300 -0.023 0.000 0.770 225 R CA 1.176 57.265 56.100 -0.019 0.000 1.648 225 R CB -2.555 27.731 30.300 -0.023 0.000 2.287 225 R HN 0.712 nan 8.270 nan 0.000 0.454 226 S N -0.870 114.812 115.700 -0.030 0.000 3.706 226 S HA -0.100 4.370 4.470 -0.000 0.000 0.363 226 S C 1.037 175.618 174.600 -0.031 0.000 0.999 226 S CA 1.866 60.047 58.200 -0.032 0.000 1.143 226 S CB -1.724 61.459 63.200 -0.027 0.000 0.902 226 S HN 1.521 nan 8.310 nan 0.000 0.476 227 G N 0.213 108.993 108.800 -0.034 0.000 2.200 227 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.267 227 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.267 227 G C 0.201 175.084 174.900 -0.029 0.000 0.993 227 G CA 0.847 45.927 45.100 -0.034 0.000 0.701 227 G HN 0.653 nan 8.290 nan 0.000 0.524 228 R N 0.326 120.811 120.500 -0.026 0.000 3.863 228 R HA 0.685 5.025 4.340 -0.000 0.000 0.304 228 R C 0.430 176.717 176.300 -0.021 0.000 1.485 228 R CA 0.745 56.832 56.100 -0.021 0.000 1.355 228 R CB -0.107 30.184 30.300 -0.015 0.000 1.457 228 R HN 0.966 nan 8.270 nan 0.000 0.669 229 A N 0.051 122.854 122.820 -0.029 0.000 2.605 229 A HA 0.495 4.814 4.320 -0.000 0.000 0.294 229 A C -1.719 175.837 177.584 -0.048 0.000 1.062 229 A CA -0.711 51.304 52.037 -0.035 0.000 0.682 229 A CB 1.546 20.524 19.000 -0.035 0.000 1.278 229 A HN 0.104 nan 8.150 nan 0.000 0.410 230 Q N 1.240 121.002 119.800 -0.064 0.000 2.400 230 Q HA 0.532 4.872 4.340 -0.000 0.000 0.255 230 Q C -1.293 174.634 176.000 -0.121 0.000 1.008 230 Q CA -0.287 55.469 55.803 -0.078 0.000 0.841 230 Q CB 1.045 29.744 28.738 -0.066 0.000 1.220 230 Q HN 0.600 nan 8.270 nan 0.000 0.474 231 V N 4.133 123.987 119.914 -0.099 0.000 2.427 231 V HA 0.395 4.515 4.120 -0.000 0.000 0.268 231 V C -0.112 175.918 176.094 -0.107 0.000 1.046 231 V CA -0.161 62.077 62.300 -0.104 0.000 0.970 231 V CB 0.502 32.285 31.823 -0.067 0.000 1.001 231 V HN 0.864 nan 8.190 nan 0.000 0.476 232 S N 4.564 120.189 115.700 -0.124 0.000 2.537 232 S HA 0.824 5.293 4.470 -0.000 0.000 0.301 232 S C -0.558 174.029 174.600 -0.023 0.000 1.092 232 S CA -0.815 57.327 58.200 -0.098 0.000 1.048 232 S CB 2.203 65.400 63.200 -0.004 0.000 1.053 232 S HN 0.729 nan 8.310 nan 0.000 0.501 233 V N 2.553 122.309 119.914 -0.262 0.000 2.789 233 V HA 0.879 4.999 4.120 -0.000 0.000 0.311 233 V C -2.003 173.835 176.094 -0.428 0.000 1.073 233 V CA -0.782 61.449 62.300 -0.116 0.000 0.921 233 V CB 1.283 33.072 31.823 -0.057 0.000 1.009 233 V HN 0.911 nan 8.190 nan 0.000 0.426 234 F N 2.608 122.621 119.950 0.105 0.000 2.664 234 F HA 0.713 5.240 4.527 -0.000 0.000 0.317 234 F C 0.040 175.804 175.800 -0.060 0.000 1.108 234 F CA -0.730 57.313 58.000 0.072 0.000 0.957 234 F CB 2.092 41.200 39.000 0.180 0.000 1.365 234 F HN 0.429 nan 8.300 nan 0.000 0.475 235 E N 0.263 120.511 120.200 0.081 0.000 2.277 235 E HA 0.195 4.545 4.350 -0.000 0.000 0.266 235 E C -1.208 175.207 176.600 -0.307 0.000 0.901 235 E CA -1.006 55.277 56.400 -0.194 0.000 0.782 235 E CB 2.538 32.174 29.700 -0.105 0.000 1.228 235 E HN 0.606 nan 8.360 nan 0.000 0.424 236 E N 0.092 119.920 120.200 -0.621 0.000 2.568 236 E HA -0.002 4.348 4.350 -0.000 0.000 0.262 236 E C 0.731 177.305 176.600 -0.043 0.000 0.961 236 E CA 1.393 57.591 56.400 -0.336 0.000 0.945 236 E CB 0.118 29.660 29.700 -0.264 0.000 0.924 236 E HN 0.758 nan 8.360 nan 0.000 0.467 237 G N 3.043 111.891 108.800 0.081 0.000 2.358 237 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.224 237 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.224 237 G C 0.595 175.539 174.900 0.074 0.000 1.073 237 G CA 0.187 45.316 45.100 0.049 0.000 0.635 237 G HN 0.951 nan 8.290 nan 0.000 0.509 238 A N 1.465 124.353 122.820 0.114 0.000 2.833 238 A HA 0.556 4.875 4.320 -0.000 0.000 0.293 238 A C 0.745 178.433 177.584 0.173 0.000 1.338 238 A CA 0.616 52.750 52.037 0.161 0.000 0.959 238 A CB -0.230 18.899 19.000 0.214 0.000 1.094 238 A HN 0.593 nan 8.150 nan 0.000 0.569 239 E N 1.661 121.942 120.200 0.134 0.000 2.366 239 E HA 0.231 4.581 4.350 -0.000 0.000 0.266 239 E C -2.603 173.920 176.600 -0.128 0.000 1.015 239 E CA -1.535 54.896 56.400 0.051 0.000 0.906 239 E CB 0.296 30.125 29.700 0.214 0.000 0.979 239 E HN 0.305 nan 8.360 nan 0.000 0.443 240 P HA 0.096 nan 4.420 nan 0.000 0.277 240 P C 0.633 177.788 177.300 -0.242 0.000 1.271 240 P CA -0.458 62.440 63.100 -0.337 0.000 0.795 240 P CB 1.185 32.528 31.700 -0.595 0.000 1.101 241 E N 0.386 120.500 120.200 -0.144 0.000 2.049 241 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 241 E C 1.935 178.432 176.600 -0.173 0.000 1.007 241 E CA 1.797 58.132 56.400 -0.107 0.000 0.809 241 E CB -0.543 29.130 29.700 -0.045 0.000 0.749 241 E HN 0.490 nan 8.360 nan 0.000 0.450 242 A N 0.822 123.493 122.820 -0.250 0.000 1.917 242 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 242 A C 2.177 179.514 177.584 -0.411 0.000 1.182 242 A CA 1.912 53.749 52.037 -0.332 0.000 0.633 242 A CB -0.566 18.143 19.000 -0.485 0.000 0.819 242 A HN 0.382 nan 8.150 nan 0.000 0.448 243 M N -1.394 117.891 119.600 -0.524 0.000 2.099 243 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 243 M C 1.659 177.789 176.300 -0.284 0.000 1.067 243 M CA 1.297 56.333 55.300 -0.441 0.000 1.124 243 M CB -0.090 32.254 32.600 -0.426 0.000 1.353 243 M HN 0.338 nan 8.290 nan 0.000 0.410 244 L N 0.160 121.283 121.223 -0.166 0.000 2.291 244 L HA -0.115 4.225 4.340 -0.000 0.000 0.214 244 L C 2.225 179.057 176.870 -0.064 0.000 1.120 244 L CA 1.559 56.374 54.840 -0.042 0.000 0.799 244 L CB -1.179 40.873 42.059 -0.010 0.000 0.925 244 L HN 0.439 nan 8.230 nan 0.000 0.446 245 Q N -0.813 118.922 119.800 -0.109 0.000 2.020 245 Q HA -0.150 4.190 4.340 -0.000 0.000 0.198 245 Q C 2.233 178.175 176.000 -0.096 0.000 0.974 245 Q CA 1.978 57.729 55.803 -0.086 0.000 0.829 245 Q CB 0.026 28.712 28.738 -0.087 0.000 0.894 245 Q HN 0.371 nan 8.270 nan 0.000 0.433 246 V N -0.902 118.927 119.914 -0.142 0.000 3.041 246 V HA -0.022 4.098 4.120 -0.000 0.000 0.260 246 V C 1.485 177.471 176.094 -0.181 0.000 1.105 246 V CA 1.152 63.367 62.300 -0.142 0.000 1.125 246 V CB -0.074 31.664 31.823 -0.143 0.000 0.730 246 V HN 0.352 nan 8.190 nan 0.000 0.479 247 L N 0.627 121.705 121.223 -0.242 0.000 2.609 247 L HA 0.615 4.955 4.340 -0.000 0.000 0.230 247 L C 1.384 178.198 176.870 -0.093 0.000 1.087 247 L CA 0.578 55.194 54.840 -0.374 0.000 0.874 247 L CB -0.144 41.351 42.059 -0.940 0.000 1.114 247 L HN 0.618 nan 8.230 nan 0.000 0.488 248 G N 0.943 109.757 108.800 0.025 0.000 2.725 248 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.220 248 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.220 248 G C -2.697 172.334 174.900 0.218 0.000 1.357 248 G CA -0.802 44.362 45.100 0.106 0.000 0.866 248 G HN 0.008 nan 8.290 nan 0.000 0.548 249 P HA 0.262 nan 4.420 nan 0.000 0.271 249 P C -0.361 176.800 177.300 -0.233 0.000 1.216 249 P CA 0.046 63.132 63.100 -0.023 0.000 0.771 249 P CB 0.914 32.580 31.700 -0.057 0.000 0.864 250 K N 5.217 125.288 120.400 -0.550 0.000 2.339 250 K HA 0.242 4.561 4.320 -0.000 0.000 0.286 250 K C -1.797 174.357 176.600 -0.743 0.000 1.050 250 K CA -1.351 54.141 56.287 -1.326 0.000 0.956 250 K CB 0.065 31.768 32.500 -1.329 0.000 0.990 250 K HN 0.356 nan 8.250 nan 0.000 0.475 251 P HA 0.191 nan 4.420 nan 0.000 0.306 251 P C -0.813 176.318 177.300 -0.283 0.000 1.309 251 P CA -0.601 62.295 63.100 -0.339 0.000 0.759 251 P CB 0.330 31.899 31.700 -0.218 0.000 1.314 252 T N 0.498 114.958 114.554 -0.156 0.000 2.870 252 T HA 0.317 4.667 4.350 -0.000 0.000 0.300 252 T C 0.306 174.966 174.700 -0.066 0.000 0.989 252 T CA 0.054 62.097 62.100 -0.095 0.000 1.139 252 T CB -0.296 68.542 68.868 -0.050 0.000 0.920 252 T HN 0.134 nan 8.240 nan 0.000 0.537 253 L N 4.912 126.121 121.223 -0.024 0.000 2.331 253 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 253 L C -1.870 175.046 176.870 0.077 0.000 1.022 253 L CA -2.353 52.511 54.840 0.040 0.000 0.812 253 L CB 1.148 43.265 42.059 0.097 0.000 1.257 253 L HN 0.436 nan 8.230 nan 0.000 0.435 254 P HA 0.175 nan 4.420 nan 0.000 0.277 254 P C -0.846 176.530 177.300 0.127 0.000 1.271 254 P CA -0.661 62.499 63.100 0.100 0.000 0.795 254 P CB 0.473 32.232 31.700 0.099 0.000 1.101 255 E N -0.415 119.849 120.200 0.108 0.000 2.390 255 E HA 0.325 4.675 4.350 -0.000 0.000 0.261 255 E C 0.199 176.878 176.600 0.132 0.000 1.076 255 E CA -0.213 56.256 56.400 0.115 0.000 0.905 255 E CB 0.522 30.275 29.700 0.087 0.000 0.984 255 E HN 0.500 nan 8.360 nan 0.000 0.427 256 A N 2.111 125.017 122.820 0.143 0.000 2.366 256 A HA 0.215 4.535 4.320 -0.000 0.000 0.250 256 A C 0.191 177.838 177.584 0.105 0.000 1.099 256 A CA 0.032 52.154 52.037 0.141 0.000 0.794 256 A CB 0.229 19.312 19.000 0.139 0.000 1.056 256 A HN 0.478 nan 8.150 nan 0.000 0.499 257 T N 1.060 115.670 114.554 0.094 0.000 2.794 257 T HA 0.489 4.839 4.350 -0.000 0.000 0.280 257 T C -0.096 174.642 174.700 0.064 0.000 0.987 257 T CA -0.118 62.027 62.100 0.076 0.000 0.993 257 T CB 1.267 70.179 68.868 0.073 0.000 0.939 257 T HN 0.719 nan 8.240 nan 0.000 0.449 268 R N 0.966 121.519 120.500 0.089 0.000 2.790 268 R HA 0.281 4.621 4.340 -0.000 0.000 0.274 268 R C 0.105 176.525 176.300 0.200 0.000 1.334 268 R CA -0.707 55.467 56.100 0.123 0.000 1.543 268 R CB 0.628 30.968 30.300 0.066 0.000 1.154 268 R HN 0.426 nan 8.270 nan 0.000 0.601 269 K N 1.421 121.934 120.400 0.189 0.000 2.590 269 K HA 0.186 4.506 4.320 -0.000 0.000 0.218 269 K C -0.600 176.076 176.600 0.127 0.000 1.536 269 K CA -0.228 56.118 56.287 0.098 0.000 1.013 269 K CB 0.779 33.234 32.500 -0.074 0.000 1.265 269 K HN 0.296 nan 8.250 nan 0.000 0.603 270 L N 2.431 123.772 121.223 0.196 0.000 2.282 270 L HA 0.601 4.940 4.340 -0.000 0.000 0.288 270 L C -0.338 176.687 176.870 0.258 0.000 1.033 270 L CA -0.666 54.289 54.840 0.191 0.000 0.807 270 L CB 1.730 43.883 42.059 0.157 0.000 1.209 270 L HN 0.224 nan 8.230 nan 0.000 0.423 271 A N 4.236 127.172 122.820 0.193 0.000 2.435 271 A HA 0.896 5.216 4.320 -0.000 0.000 0.296 271 A C -1.060 176.714 177.584 0.317 0.000 1.147 271 A CA -0.738 51.436 52.037 0.228 0.000 0.775 271 A CB 1.715 20.717 19.000 0.004 0.000 1.340 271 A HN 0.646 nan 8.150 nan 0.000 0.427 272 K N -0.453 120.152 120.400 0.342 0.000 2.435 272 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 272 K C -1.751 174.786 176.600 -0.104 0.000 0.954 272 K CA -0.648 55.742 56.287 0.170 0.000 0.820 272 K CB 2.443 34.965 32.500 0.037 0.000 1.292 272 K HN 0.452 nan 8.250 nan 0.000 0.436 273 L N 1.968 122.802 121.223 -0.647 0.000 2.334 273 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 273 L C -1.749 174.859 176.870 -0.436 0.000 1.013 273 L CA -0.296 54.166 54.840 -0.631 0.000 0.816 273 L CB 0.968 42.307 42.059 -1.201 0.000 1.278 273 L HN 0.543 nan 8.230 nan 0.000 0.431 274 Y N 2.550 122.862 120.300 0.020 0.000 2.504 274 Y HA 0.474 5.024 4.550 -0.000 0.000 0.344 274 Y C -0.317 175.671 175.900 0.147 0.000 1.023 274 Y CA -0.750 57.408 58.100 0.096 0.000 1.020 274 Y CB 1.970 40.486 38.460 0.093 0.000 1.282 274 Y HN 0.521 nan 8.280 nan 0.000 0.454 275 K N 1.090 121.601 120.400 0.184 0.000 2.090 275 K HA 0.794 5.113 4.320 -0.000 0.000 0.250 275 K C -1.634 174.917 176.600 -0.081 0.000 1.004 275 K CA -0.701 55.456 56.287 -0.216 0.000 0.919 275 K CB 1.436 33.804 32.500 -0.218 0.000 1.045 275 K HN 0.498 nan 8.250 nan 0.000 0.471 276 V N 1.806 121.614 119.914 -0.176 0.000 2.697 276 V HA 0.295 4.415 4.120 -0.000 0.000 0.296 276 V C -1.880 174.174 176.094 -0.066 0.000 1.140 276 V CA -0.333 61.932 62.300 -0.058 0.000 0.921 276 V CB 1.963 33.785 31.823 -0.002 0.000 1.036 276 V HN 0.778 nan 8.190 nan 0.000 0.438 277 S N 7.587 123.267 115.700 -0.034 0.000 2.653 277 S HA 0.639 5.109 4.470 -0.000 0.000 0.272 277 S C -0.568 174.028 174.600 -0.007 0.000 1.221 277 S CA -0.763 57.421 58.200 -0.026 0.000 1.149 277 S CB 0.538 63.722 63.200 -0.026 0.000 1.029 277 S HN 0.993 nan 8.310 nan 0.000 0.481 278 N N 0.666 119.365 118.700 -0.003 0.000 2.934 278 N HA 0.414 5.154 4.740 -0.000 0.000 0.253 278 N C 0.559 176.071 175.510 0.003 0.000 1.466 278 N CA -0.805 52.247 53.050 0.003 0.000 0.858 278 N CB 0.901 39.393 38.487 0.009 0.000 1.459 278 N HN 0.341 nan 8.380 nan 0.000 0.532 279 G N -1.096 107.706 108.800 0.003 0.000 2.486 279 G HA2 0.405 4.365 3.960 -0.000 0.000 0.210 279 G HA3 0.405 4.365 3.960 -0.000 0.000 0.210 279 G C 0.698 175.600 174.900 0.004 0.000 1.168 279 G CA 1.161 46.262 45.100 0.002 0.000 0.820 279 G HN 1.161 nan 8.290 nan 0.000 0.544 280 A N -2.105 120.718 122.820 0.005 0.000 2.312 280 A HA 0.336 4.656 4.320 -0.000 0.000 0.189 280 A C 1.817 179.404 177.584 0.005 0.000 2.525 280 A CA 1.186 53.227 52.037 0.007 0.000 1.466 280 A CB -0.972 18.030 19.000 0.003 0.000 1.089 280 A HN 0.771 nan 8.150 nan 0.000 0.415 281 G N 0.800 109.601 108.800 0.001 0.000 2.688 281 G HA2 0.369 4.329 3.960 -0.000 0.000 0.214 281 G HA3 0.369 4.329 3.960 -0.000 0.000 0.214 281 G C -1.309 173.590 174.900 -0.002 0.000 1.211 281 G CA 0.743 45.842 45.100 -0.002 0.000 0.853 281 G HN 0.438 nan 8.290 nan 0.000 0.591 282 P HA 0.231 nan 4.420 nan 0.000 0.252 282 P C -0.591 176.710 177.300 0.002 0.000 1.727 282 P CA 0.017 63.116 63.100 -0.002 0.000 1.134 282 P CB 0.199 31.897 31.700 -0.002 0.000 1.876 283 M N 3.493 123.095 119.600 0.004 0.000 2.143 283 M HA 0.166 4.646 4.480 -0.000 0.000 0.348 283 M C -0.777 175.531 176.300 0.013 0.000 1.375 283 M CA -0.388 54.920 55.300 0.013 0.000 1.124 283 M CB 0.679 33.292 32.600 0.021 0.000 1.669 283 M HN -0.073 nan 8.290 nan 0.000 0.469 284 V N 6.576 126.500 119.914 0.017 0.000 2.350 284 V HA 0.333 4.453 4.120 -0.000 0.000 0.276 284 V C -0.369 175.748 176.094 0.038 0.000 1.028 284 V CA -0.611 61.701 62.300 0.020 0.000 0.860 284 V CB 1.274 33.104 31.823 0.012 0.000 0.990 284 V HN 0.594 nan 8.190 nan 0.000 0.453 285 V N 4.953 124.901 119.914 0.057 0.000 2.349 285 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 285 V C -0.021 176.172 176.094 0.165 0.000 1.014 285 V CA -0.313 62.050 62.300 0.106 0.000 0.826 285 V CB 1.937 33.808 31.823 0.081 0.000 1.009 285 V HN 0.952 nan 8.190 nan 0.000 0.431 286 S N 5.356 121.172 115.700 0.194 0.000 2.498 286 S HA 0.662 5.131 4.470 -0.000 0.000 0.317 286 S C -0.664 174.080 174.600 0.240 0.000 1.090 286 S CA -0.675 57.636 58.200 0.184 0.000 1.089 286 S CB 1.796 65.049 63.200 0.089 0.000 0.997 286 S HN 0.532 nan 8.310 nan 0.000 0.470 287 L N 4.286 125.628 121.223 0.198 0.000 2.513 287 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 287 L C 0.615 177.441 176.870 -0.073 0.000 1.187 287 L CA 0.690 55.486 54.840 -0.074 0.000 0.895 287 L CB 0.407 42.401 42.059 -0.109 0.000 1.147 287 L HN 0.685 nan 8.230 nan 0.000 0.483 288 V N 4.074 123.905 119.914 -0.137 0.000 3.048 288 V HA 0.456 4.576 4.120 -0.000 0.000 0.241 288 V C 0.635 176.633 176.094 -0.161 0.000 1.129 288 V CA 0.619 62.875 62.300 -0.075 0.000 1.128 288 V CB -0.251 31.597 31.823 0.042 0.000 0.849 288 V HN 0.875 nan 8.190 nan 0.000 0.475 289 A N -0.099 122.545 122.820 -0.295 0.000 2.408 289 A HA 0.585 4.905 4.320 -0.000 0.000 0.295 289 A C 0.039 177.505 177.584 -0.195 0.000 1.040 289 A CA -0.140 51.745 52.037 -0.252 0.000 0.707 289 A CB 1.649 20.419 19.000 -0.384 0.000 1.235 289 A HN 0.103 nan 8.150 nan 0.000 0.418 290 D N 1.091 121.453 120.400 -0.064 0.000 2.271 290 D HA 0.053 4.693 4.640 -0.000 0.000 0.206 290 D C 0.425 176.769 176.300 0.074 0.000 0.967 290 D CA 1.297 55.285 54.000 -0.021 0.000 0.867 290 D CB 0.454 41.249 40.800 -0.009 0.000 0.960 290 D HN 0.667 nan 8.370 nan 0.000 0.509 291 E N -0.539 119.739 120.200 0.130 0.000 2.331 291 E HA 0.220 4.569 4.350 -0.000 0.000 0.275 291 E C -1.219 175.431 176.600 0.082 0.000 0.895 291 E CA -0.854 55.614 56.400 0.113 0.000 0.753 291 E CB 1.236 30.945 29.700 0.014 0.000 1.216 291 E HN 0.219 nan 8.360 nan 0.000 0.434 292 N N 2.249 120.803 118.700 -0.243 0.000 2.515 292 N HA 0.430 5.170 4.740 -0.000 0.000 0.279 292 N C -2.595 172.531 175.510 -0.641 0.000 1.164 292 N CA -1.321 51.248 53.050 -0.801 0.000 0.982 292 N CB 1.075 38.912 38.487 -1.084 0.000 1.170 292 N HN 0.061 nan 8.380 nan 0.000 0.474 293 P HA 0.127 nan 4.420 nan 0.000 0.271 293 P C -1.008 176.080 177.300 -0.353 0.000 1.216 293 P CA -0.007 62.791 63.100 -0.505 0.000 0.776 293 P CB 0.308 31.841 31.700 -0.279 0.000 0.881 294 F N 0.685 120.443 119.950 -0.320 0.000 2.378 294 F HA 0.532 5.059 4.527 -0.000 0.000 0.325 294 F C 1.030 176.770 175.800 -0.100 0.000 1.097 294 F CA -1.606 56.196 58.000 -0.331 0.000 1.079 294 F CB 0.020 38.584 39.000 -0.726 0.000 1.240 294 F HN 0.228 nan 8.300 nan 0.000 0.519 295 A N 1.532 124.454 122.820 0.170 0.000 2.409 295 A HA 0.196 4.516 4.320 -0.000 0.000 0.262 295 A C 1.220 178.927 177.584 0.205 0.000 1.113 295 A CA -0.372 51.741 52.037 0.126 0.000 0.790 295 A CB 0.271 19.287 19.000 0.027 0.000 1.046 295 A HN 0.931 nan 8.150 nan 0.000 0.496 296 Q N 2.688 122.572 119.800 0.140 0.000 2.170 296 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 296 Q C 1.682 177.521 176.000 -0.268 0.000 0.976 296 Q CA 1.862 57.585 55.803 -0.134 0.000 0.858 296 Q CB -0.269 28.221 28.738 -0.414 0.000 0.907 296 Q HN 0.945 nan 8.270 nan 0.000 0.433 297 G N -0.037 108.659 108.800 -0.172 0.000 2.471 297 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.219 297 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.219 297 G C 1.374 176.171 174.900 -0.172 0.000 1.125 297 G CA 0.596 45.597 45.100 -0.165 0.000 0.775 297 G HN 0.467 nan 8.290 nan 0.000 0.548 298 A N 0.008 122.721 122.820 -0.179 0.000 2.019 298 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 298 A C 0.966 178.225 177.584 -0.542 0.000 1.164 298 A CA 0.480 52.373 52.037 -0.241 0.000 0.644 298 A CB -0.188 18.679 19.000 -0.222 0.000 0.805 298 A HN 0.247 nan 8.150 nan 0.000 0.449 299 L N 1.360 122.166 121.223 -0.695 0.000 2.369 299 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 299 L C 0.433 177.018 176.870 -0.474 0.000 1.108 299 L CA 0.686 54.862 54.840 -1.106 0.000 0.852 299 L CB 0.145 41.365 42.059 -1.399 0.000 1.169 299 L HN 0.276 nan 8.230 nan 0.000 0.452 300 R N 2.169 122.653 120.500 -0.026 0.000 2.599 300 R HA 0.369 4.709 4.340 -0.000 0.000 0.295 300 R C 0.811 177.406 176.300 0.491 0.000 0.963 300 R CA -0.609 55.642 56.100 0.251 0.000 0.883 300 R CB 1.471 31.920 30.300 0.248 0.000 1.171 300 R HN 0.490 nan 8.270 nan 0.000 0.450 301 S N 1.562 117.478 115.700 0.360 0.000 2.469 301 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 301 S C 1.055 175.783 174.600 0.214 0.000 0.998 301 S CA 1.356 59.740 58.200 0.308 0.000 0.957 301 S CB -0.024 63.282 63.200 0.175 0.000 0.764 301 S HN 0.559 nan 8.310 nan 0.000 0.514 302 E N 1.086 121.407 120.200 0.201 0.000 2.158 302 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 302 E C 0.368 177.039 176.600 0.118 0.000 0.982 302 E CA 0.705 57.180 56.400 0.126 0.000 0.823 302 E CB 0.107 29.866 29.700 0.100 0.000 0.766 302 E HN 0.462 nan 8.360 nan 0.000 0.468 303 D N -1.202 119.313 120.400 0.192 0.000 2.569 303 D HA 0.330 4.970 4.640 -0.000 0.000 0.266 303 D C -0.519 175.862 176.300 0.135 0.000 1.164 303 D CA -0.583 53.452 54.000 0.059 0.000 1.071 303 D CB 1.224 41.934 40.800 -0.150 0.000 1.183 303 D HN -0.025 nan 8.370 nan 0.000 0.613 304 C N 0.308 119.558 119.300 -0.084 0.000 2.563 304 C HA 0.636 5.096 4.460 -0.000 0.000 0.314 304 C C -0.840 174.066 174.990 -0.140 0.000 1.199 304 C CA -0.692 58.382 59.018 0.095 0.000 1.564 304 C CB 0.121 27.893 27.740 0.054 0.000 2.173 304 C HN 0.367 nan 8.230 nan 0.000 0.485 305 F N 1.647 121.790 119.950 0.323 0.000 2.561 305 F HA 0.720 5.246 4.527 -0.000 0.000 0.321 305 F C 0.020 175.943 175.800 0.206 0.000 1.065 305 F CA -0.984 57.157 58.000 0.234 0.000 0.934 305 F CB 0.939 40.060 39.000 0.201 0.000 1.215 305 F HN 0.250 nan 8.300 nan 0.000 0.471 306 I N 3.233 123.966 120.570 0.271 0.000 2.378 306 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 306 I C -1.133 175.089 176.117 0.175 0.000 0.992 306 I CA -0.825 60.538 61.300 0.105 0.000 1.154 306 I CB 1.543 39.326 38.000 -0.362 0.000 1.315 306 I HN 0.286 nan 8.210 nan 0.000 0.448 307 L N 7.264 128.636 121.223 0.248 0.000 2.282 307 L HA 0.344 4.684 4.340 -0.000 0.000 0.287 307 L C -0.422 176.563 176.870 0.190 0.000 1.075 307 L CA -0.199 54.737 54.840 0.160 0.000 0.839 307 L CB 0.212 42.324 42.059 0.089 0.000 1.219 307 L HN 0.477 nan 8.230 nan 0.000 0.434 308 D N 2.945 123.466 120.400 0.203 0.000 2.422 308 D HA 0.069 4.709 4.640 -0.000 0.000 0.227 308 D C -0.068 176.401 176.300 0.281 0.000 1.190 308 D CA 0.158 54.331 54.000 0.288 0.000 0.905 308 D CB 0.232 41.375 40.800 0.572 0.000 1.034 308 D HN 0.523 nan 8.370 nan 0.000 0.507 309 H N 2.294 121.416 119.070 0.086 0.000 2.490 309 H HA 0.387 4.943 4.556 -0.000 0.000 0.285 309 H C 1.535 176.855 175.328 -0.014 0.000 1.127 309 H CA -0.139 55.956 56.048 0.078 0.000 0.993 309 H CB 0.118 29.982 29.762 0.171 0.000 1.653 309 H HN 0.490 nan 8.280 nan 0.000 0.557 310 G N 0.209 108.897 108.800 -0.187 0.000 2.509 310 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 310 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 310 G C 1.628 176.214 174.900 -0.523 0.000 1.124 310 G CA 0.018 44.690 45.100 -0.713 0.000 0.776 310 G HN 0.249 nan 8.290 nan 0.000 0.547 311 K N 0.556 120.824 120.400 -0.220 0.000 2.103 311 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 311 K C 1.377 177.869 176.600 -0.180 0.000 1.048 311 K CA 1.356 57.583 56.287 -0.100 0.000 0.930 311 K CB -0.174 32.338 32.500 0.021 0.000 0.716 311 K HN 0.311 nan 8.250 nan 0.000 0.444 312 D N -1.074 119.098 120.400 -0.381 0.000 2.358 312 D HA 0.111 4.751 4.640 -0.000 0.000 0.224 312 D C 0.352 176.517 176.300 -0.225 0.000 1.123 312 D CA 0.511 54.305 54.000 -0.343 0.000 0.833 312 D CB 0.238 40.689 40.800 -0.581 0.000 0.946 312 D HN 0.352 nan 8.370 nan 0.000 0.505 313 G N 1.080 109.742 108.800 -0.231 0.000 2.132 313 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.228 313 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.228 313 G C 0.246 175.060 174.900 -0.143 0.000 1.000 313 G CA 0.213 45.215 45.100 -0.164 0.000 0.693 313 G HN 0.426 nan 8.290 nan 0.000 0.515 314 K N -0.080 120.222 120.400 -0.165 0.000 2.525 314 K HA 0.738 5.058 4.320 -0.000 0.000 0.254 314 K C -0.239 176.289 176.600 -0.121 0.000 0.934 314 K CA -1.053 55.155 56.287 -0.132 0.000 0.802 314 K CB 1.734 34.225 32.500 -0.015 0.000 1.295 314 K HN 0.710 nan 8.250 nan 0.000 0.433 315 I N -0.485 119.962 120.570 -0.206 0.000 2.934 315 I HA 0.657 4.827 4.170 -0.000 0.000 0.306 315 I C -1.478 174.471 176.117 -0.279 0.000 1.110 315 I CA -0.948 60.294 61.300 -0.097 0.000 1.019 315 I CB 1.759 39.758 38.000 -0.002 0.000 1.227 315 I HN 0.415 nan 8.210 nan 0.000 0.434 316 F N 3.040 123.055 119.950 0.108 0.000 2.532 316 F HA 0.697 5.223 4.527 -0.000 0.000 0.321 316 F C -0.416 175.473 175.800 0.148 0.000 1.089 316 F CA -1.200 56.905 58.000 0.175 0.000 0.926 316 F CB 2.271 41.512 39.000 0.402 0.000 1.168 316 F HN 0.127 nan 8.300 nan 0.000 0.459 317 V N 1.856 121.932 119.914 0.270 0.000 2.334 317 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 317 V C -1.146 175.081 176.094 0.221 0.000 1.016 317 V CA -0.845 61.587 62.300 0.219 0.000 0.832 317 V CB 1.142 33.031 31.823 0.110 0.000 0.999 317 V HN 0.772 nan 8.190 nan 0.000 0.439 318 W N 5.946 127.313 121.300 0.112 0.000 2.331 318 W HA 0.465 5.125 4.660 -0.000 0.000 0.306 318 W C 0.223 176.802 176.519 0.101 0.000 1.162 318 W CA -0.687 56.671 57.345 0.022 0.000 1.232 318 W CB 0.959 30.482 29.460 0.105 0.000 1.235 318 W HN 0.430 nan 8.180 nan 0.000 0.479 319 K N 5.894 125.998 120.400 -0.494 0.000 2.299 319 K HA 0.347 4.666 4.320 -0.000 0.000 0.268 319 K C 0.598 176.722 176.600 -0.794 0.000 1.075 319 K CA -0.657 55.376 56.287 -0.423 0.000 0.936 319 K CB 0.893 33.226 32.500 -0.278 0.000 1.228 319 K HN 0.697 nan 8.250 nan 0.000 0.454 320 G N 2.064 110.513 108.800 -0.586 0.000 2.464 320 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.231 320 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.231 320 G C 0.780 175.536 174.900 -0.239 0.000 1.267 320 G CA -0.169 44.703 45.100 -0.381 0.000 0.863 320 G HN 0.785 nan 8.290 nan 0.000 0.559 321 K N 0.300 120.610 120.400 -0.150 0.000 2.418 321 K HA 0.041 4.361 4.320 -0.000 0.000 0.195 321 K C 1.746 178.321 176.600 -0.041 0.000 1.035 321 K CA 1.043 57.270 56.287 -0.101 0.000 1.003 321 K CB 0.180 32.642 32.500 -0.064 0.000 0.793 321 K HN 0.555 nan 8.250 nan 0.000 0.494 322 Q N -0.072 119.723 119.800 -0.009 0.000 2.388 322 Q HA 0.235 4.575 4.340 -0.000 0.000 0.204 322 Q C 1.363 177.364 176.000 0.002 0.000 0.946 322 Q CA 0.859 56.666 55.803 0.005 0.000 0.880 322 Q CB 0.361 29.115 28.738 0.027 0.000 0.997 322 Q HN 0.372 nan 8.270 nan 0.000 0.552 323 A N 2.124 124.953 122.820 0.014 0.000 2.290 323 A HA -0.405 3.914 4.320 -0.000 0.000 0.359 323 A C 0.458 178.045 177.584 0.004 0.000 1.653 323 A CA 1.925 53.966 52.037 0.008 0.000 1.039 323 A CB -1.481 17.502 19.000 -0.027 0.000 1.478 323 A HN 0.658 nan 8.150 nan 0.000 0.694 324 N N -2.775 115.923 118.700 -0.004 0.000 8.092 324 N HA -0.041 4.699 4.740 -0.000 0.000 0.079 324 N C 0.236 175.743 175.510 -0.006 0.000 0.843 324 N CA 0.819 53.867 53.050 -0.002 0.000 1.307 324 N CB -0.711 37.776 38.487 -0.000 0.000 1.171 324 N HN 0.978 nan 8.380 nan 0.000 1.426 325 M N 2.586 122.183 119.600 -0.005 0.000 2.192 325 M HA -0.197 4.283 4.480 -0.000 0.000 0.259 325 M C 1.046 177.344 176.300 -0.002 0.000 1.071 325 M CA 1.994 57.292 55.300 -0.004 0.000 1.082 325 M CB -0.144 32.456 32.600 0.000 0.000 1.373 325 M HN 0.650 nan 8.290 nan 0.000 0.408 326 E N -0.216 119.984 120.200 -0.000 0.000 2.158 326 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 326 E C 1.711 178.311 176.600 0.001 0.000 0.982 326 E CA 1.406 57.806 56.400 0.001 0.000 0.823 326 E CB -0.016 29.685 29.700 0.002 0.000 0.766 326 E HN 0.764 nan 8.360 nan 0.000 0.468 327 E N 0.760 120.960 120.200 -0.001 0.000 2.385 327 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 327 E C 2.056 178.655 176.600 -0.002 0.000 1.013 327 E CA -0.011 56.389 56.400 -0.000 0.000 0.866 327 E CB 0.037 29.735 29.700 -0.002 0.000 0.832 327 E HN -0.001 nan 8.360 nan 0.000 0.500 328 R N 1.579 122.073 120.500 -0.010 0.000 2.062 328 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 328 R C 2.085 178.379 176.300 -0.010 0.000 1.136 328 R CA 1.459 57.546 56.100 -0.021 0.000 0.948 328 R CB 0.028 30.308 30.300 -0.034 0.000 0.845 328 R HN 0.022 nan 8.270 nan 0.000 0.430 329 K N -0.559 119.839 120.400 -0.003 0.000 2.283 329 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 329 K C 1.004 177.608 176.600 0.007 0.000 1.048 329 K CA 1.083 57.373 56.287 0.004 0.000 0.948 329 K CB 0.194 32.699 32.500 0.008 0.000 0.742 329 K HN 0.172 nan 8.250 nan 0.000 0.458 330 A N -0.099 122.725 122.820 0.008 0.000 2.577 330 A HA 0.354 4.674 4.320 -0.000 0.000 0.280 330 A C 1.420 179.018 177.584 0.023 0.000 1.331 330 A CA 0.249 52.294 52.037 0.013 0.000 0.935 330 A CB -0.005 19.001 19.000 0.010 0.000 1.082 330 A HN 0.238 nan 8.150 nan 0.000 0.525 331 A N -0.330 122.505 122.820 0.025 0.000 1.929 331 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 331 A C 1.808 179.425 177.584 0.054 0.000 1.176 331 A CA 1.138 53.196 52.037 0.035 0.000 0.628 331 A CB -0.301 18.714 19.000 0.024 0.000 0.816 331 A HN 0.419 nan 8.150 nan 0.000 0.444 332 L N -0.143 121.119 121.223 0.064 0.000 2.017 332 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 332 L C 2.314 179.236 176.870 0.086 0.000 1.073 332 L CA 2.230 57.128 54.840 0.098 0.000 0.745 332 L CB -1.200 40.929 42.059 0.116 0.000 0.894 332 L HN 0.400 nan 8.230 nan 0.000 0.432 333 K N -1.127 119.308 120.400 0.058 0.000 2.097 333 K HA -0.143 4.176 4.320 -0.000 0.000 0.206 333 K C 1.940 178.575 176.600 0.058 0.000 1.049 333 K CA 1.662 57.978 56.287 0.049 0.000 0.933 333 K CB -0.034 32.481 32.500 0.026 0.000 0.717 333 K HN 0.280 nan 8.250 nan 0.000 0.442 334 T N 0.177 114.767 114.554 0.059 0.000 2.788 334 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 334 T C 1.783 176.548 174.700 0.109 0.000 1.044 334 T CA 1.213 63.356 62.100 0.072 0.000 1.139 334 T CB -0.240 68.661 68.868 0.056 0.000 0.867 334 T HN 0.354 nan 8.240 nan 0.000 0.454 335 A N 0.977 123.856 122.820 0.099 0.000 1.930 335 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 335 A C 2.620 180.297 177.584 0.156 0.000 1.175 335 A CA 1.703 53.810 52.037 0.118 0.000 0.627 335 A CB -0.879 18.172 19.000 0.085 0.000 0.815 335 A HN 0.397 nan 8.150 nan 0.000 0.443 336 S N -0.003 115.766 115.700 0.114 0.000 2.351 336 S HA -0.166 4.304 4.470 -0.000 0.000 0.220 336 S C 1.696 176.348 174.600 0.088 0.000 1.035 336 S CA 1.569 59.824 58.200 0.091 0.000 1.031 336 S CB -0.446 62.794 63.200 0.066 0.000 0.928 336 S HN 0.608 nan 8.310 nan 0.000 0.433 337 D N 0.203 120.652 120.400 0.082 0.000 2.182 337 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 337 D C 1.515 177.850 176.300 0.058 0.000 0.986 337 D CA 0.741 54.772 54.000 0.053 0.000 0.847 337 D CB -0.322 40.506 40.800 0.047 0.000 0.942 337 D HN 0.408 nan 8.370 nan 0.000 0.467 338 F N 0.875 120.815 119.950 -0.017 0.000 2.206 338 F HA -0.033 4.493 4.527 -0.000 0.000 0.298 338 F C 2.155 177.945 175.800 -0.016 0.000 1.090 338 F CA 0.828 58.809 58.000 -0.033 0.000 1.323 338 F CB -0.049 38.946 39.000 -0.007 0.000 1.028 338 F HN -0.149 nan 8.300 nan 0.000 0.492 339 I N -0.732 119.954 120.570 0.195 0.000 2.252 339 I HA -0.290 3.879 4.170 -0.000 0.000 0.245 339 I C 2.366 178.455 176.117 -0.047 0.000 1.102 339 I CA 1.286 62.678 61.300 0.153 0.000 1.385 339 I CB -0.526 37.585 38.000 0.185 0.000 1.064 339 I HN 0.048 nan 8.210 nan 0.000 0.414 340 S N 0.558 116.225 115.700 -0.055 0.000 2.348 340 S HA -0.256 4.213 4.470 -0.000 0.000 0.221 340 S C 1.977 176.472 174.600 -0.175 0.000 1.033 340 S CA 1.468 59.612 58.200 -0.094 0.000 1.010 340 S CB -0.324 62.840 63.200 -0.060 0.000 0.891 340 S HN 0.328 nan 8.310 nan 0.000 0.442 341 K N 0.209 120.474 120.400 -0.225 0.000 2.360 341 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 341 K C 1.424 177.774 176.600 -0.417 0.000 1.046 341 K CA 0.918 57.031 56.287 -0.291 0.000 0.945 341 K CB 0.008 32.328 32.500 -0.301 0.000 0.750 341 K HN 0.212 nan 8.250 nan 0.000 0.464 342 M N -0.059 119.203 119.600 -0.563 0.000 2.333 342 M HA 0.034 4.513 4.480 -0.000 0.000 0.257 342 M C -0.310 175.572 176.300 -0.697 0.000 1.078 342 M CA 0.361 55.203 55.300 -0.763 0.000 1.005 342 M CB 0.154 32.021 32.600 -1.223 0.000 1.444 342 M HN 0.048 nan 8.290 nan 0.000 0.496 343 D N 1.071 121.217 120.400 -0.423 0.000 2.689 343 D HA -0.213 4.427 4.640 -0.000 0.000 0.237 343 D C -1.186 175.000 176.300 -0.191 0.000 1.148 343 D CA 0.667 54.516 54.000 -0.252 0.000 0.656 343 D CB -0.807 39.881 40.800 -0.186 0.000 1.050 343 D HN 0.192 nan 8.370 nan 0.000 0.426 344 Y N -0.816 119.441 120.300 -0.071 0.000 2.307 344 Y HA 0.465 5.014 4.550 -0.000 0.000 0.324 344 Y C -1.362 174.493 175.900 -0.074 0.000 1.238 344 Y CA -2.579 55.488 58.100 -0.055 0.000 1.280 344 Y CB -0.084 38.364 38.460 -0.021 0.000 1.248 344 Y HN -0.046 nan 8.280 nan 0.000 0.508 345 P HA 0.051 nan 4.420 nan 0.000 0.268 345 P C 0.076 177.338 177.300 -0.063 0.000 1.208 345 P CA -0.041 63.030 63.100 -0.049 0.000 0.777 345 P CB 0.757 32.365 31.700 -0.153 0.000 0.875 346 K N 1.395 121.741 120.400 -0.091 0.000 2.103 346 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 346 K C 1.650 178.172 176.600 -0.131 0.000 1.048 346 K CA 1.273 57.507 56.287 -0.087 0.000 0.930 346 K CB -0.206 32.242 32.500 -0.087 0.000 0.716 346 K HN 0.559 nan 8.250 nan 0.000 0.444 347 Q N 0.657 120.324 119.800 -0.220 0.000 2.403 347 Q HA 0.043 4.383 4.340 -0.000 0.000 0.203 347 Q C -0.107 175.741 176.000 -0.253 0.000 0.932 347 Q CA 0.383 56.019 55.803 -0.279 0.000 0.945 347 Q CB -0.453 28.000 28.738 -0.474 0.000 1.045 347 Q HN -0.011 nan 8.270 nan 0.000 0.511 348 T N 3.687 118.117 114.554 -0.206 0.000 2.777 348 T HA -0.084 4.266 4.350 -0.000 0.000 0.273 348 T C 0.122 174.751 174.700 -0.117 0.000 1.016 348 T CA 0.674 62.685 62.100 -0.148 0.000 1.156 348 T CB 0.222 69.036 68.868 -0.090 0.000 1.019 348 T HN 0.309 nan 8.240 nan 0.000 0.503 349 Q N 1.458 121.193 119.800 -0.107 0.000 2.373 349 Q HA 0.453 4.792 4.340 -0.000 0.000 0.255 349 Q C -0.480 175.447 176.000 -0.122 0.000 0.980 349 Q CA -0.384 55.361 55.803 -0.095 0.000 0.882 349 Q CB 0.846 29.548 28.738 -0.060 0.000 1.249 349 Q HN 0.403 nan 8.270 nan 0.000 0.438 350 V N 1.442 121.292 119.914 -0.105 0.000 2.686 350 V HA 0.365 4.485 4.120 -0.000 0.000 0.306 350 V C -0.925 175.110 176.094 -0.099 0.000 1.065 350 V CA -0.709 61.528 62.300 -0.105 0.000 0.894 350 V CB 2.235 34.040 31.823 -0.031 0.000 1.004 350 V HN 0.775 nan 8.190 nan 0.000 0.424 351 S N 2.905 118.503 115.700 -0.169 0.000 2.500 351 S HA 0.726 5.196 4.470 -0.000 0.000 0.301 351 S C -0.503 174.078 174.600 -0.032 0.000 1.092 351 S CA -0.718 57.393 58.200 -0.149 0.000 1.030 351 S CB 2.035 65.129 63.200 -0.177 0.000 1.031 351 S HN 1.046 nan 8.310 nan 0.000 0.483 352 V N 3.456 123.344 119.914 -0.044 0.000 2.378 352 V HA 0.658 4.778 4.120 -0.000 0.000 0.288 352 V C -1.076 174.966 176.094 -0.087 0.000 1.016 352 V CA -0.707 61.580 62.300 -0.021 0.000 0.840 352 V CB 0.463 32.289 31.823 0.005 0.000 0.994 352 V HN 0.799 nan 8.190 nan 0.000 0.431 353 L N 7.165 128.306 121.223 -0.136 0.000 2.325 353 L HA 0.718 5.058 4.340 -0.000 0.000 0.278 353 L C -2.458 174.209 176.870 -0.339 0.000 1.023 353 L CA -1.954 52.750 54.840 -0.227 0.000 0.811 353 L CB 2.207 44.075 42.059 -0.319 0.000 1.249 353 L HN 0.407 nan 8.230 nan 0.000 0.431 354 P HA 0.148 nan 4.420 nan 0.000 0.286 354 P C -0.676 176.357 177.300 -0.444 0.000 1.261 354 P CA -0.602 62.263 63.100 -0.391 0.000 0.821 354 P CB 1.147 32.724 31.700 -0.204 0.000 1.013 355 E N 1.791 121.585 120.200 -0.678 0.000 2.708 355 E HA 0.066 4.416 4.350 -0.000 0.000 0.260 355 E C 1.183 177.766 176.600 -0.029 0.000 0.937 355 E CA 1.397 57.613 56.400 -0.307 0.000 0.953 355 E CB -0.817 28.707 29.700 -0.293 0.000 0.915 355 E HN 0.810 nan 8.360 nan 0.000 0.487 356 G N 2.822 111.715 108.800 0.154 0.000 2.234 356 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.260 356 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.260 356 G C 0.670 175.624 174.900 0.091 0.000 0.987 356 G CA 0.287 45.470 45.100 0.139 0.000 0.625 356 G HN 0.984 nan 8.290 nan 0.000 0.532 357 G N 0.075 108.890 108.800 0.026 0.000 3.690 357 G HA2 0.537 4.496 3.960 -0.000 0.000 0.283 357 G HA3 0.537 4.496 3.960 -0.000 0.000 0.283 357 G C 0.221 175.078 174.900 -0.071 0.000 1.057 357 G CA 0.356 45.462 45.100 0.010 0.000 0.821 357 G HN 0.500 nan 8.290 nan 0.000 0.526 358 E N 1.185 121.336 120.200 -0.083 0.000 2.418 358 E HA 0.378 4.728 4.350 -0.000 0.000 0.261 358 E C 0.834 177.234 176.600 -0.332 0.000 1.070 358 E CA 0.254 56.527 56.400 -0.212 0.000 0.931 358 E CB 0.723 30.302 29.700 -0.201 0.000 0.954 358 E HN 0.278 nan 8.360 nan 0.000 0.439 359 T N -0.734 113.597 114.554 -0.371 0.000 2.944 359 T HA 0.314 4.664 4.350 -0.000 0.000 0.284 359 T C -2.018 172.545 174.700 -0.229 0.000 1.010 359 T CA -2.083 59.716 62.100 -0.502 0.000 1.025 359 T CB 1.438 70.031 68.868 -0.459 0.000 1.079 359 T HN 0.094 nan 8.240 nan 0.000 0.516 360 P HA -0.067 nan 4.420 nan 0.000 0.215 360 P C 1.778 179.053 177.300 -0.041 0.000 1.157 360 P CA 1.012 64.041 63.100 -0.119 0.000 0.874 360 P CB -0.179 31.513 31.700 -0.013 0.000 0.790 361 L N -2.510 118.765 121.223 0.087 0.000 2.013 361 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 361 L C 2.464 179.410 176.870 0.127 0.000 1.073 361 L CA 1.703 56.657 54.840 0.190 0.000 0.753 361 L CB -1.159 41.142 42.059 0.403 0.000 0.890 361 L HN -0.041 nan 8.230 nan 0.000 0.432 362 F N 0.814 120.725 119.950 -0.065 0.000 2.113 362 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 362 F C 2.758 178.527 175.800 -0.052 0.000 1.103 362 F CA 1.390 59.236 58.000 -0.256 0.000 1.248 362 F CB -0.183 38.673 39.000 -0.240 0.000 0.999 362 F HN -0.205 nan 8.300 nan 0.000 0.475 363 R N 0.328 120.727 120.500 -0.169 0.000 2.152 363 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 363 R C 2.438 178.666 176.300 -0.119 0.000 1.117 363 R CA 1.417 57.258 56.100 -0.432 0.000 0.981 363 R CB -0.478 29.351 30.300 -0.785 0.000 0.870 363 R HN 0.588 nan 8.270 nan 0.000 0.451 364 Q N -0.141 119.560 119.800 -0.166 0.000 2.181 364 Q HA -0.192 4.148 4.340 -0.000 0.000 0.205 364 Q C 1.040 176.884 176.000 -0.259 0.000 0.980 364 Q CA 1.532 57.219 55.803 -0.194 0.000 0.862 364 Q CB -0.220 28.345 28.738 -0.288 0.000 0.905 364 Q HN 0.373 nan 8.270 nan 0.000 0.429 365 F N -0.054 119.753 119.950 -0.239 0.000 2.771 365 F HA 0.169 4.696 4.527 -0.000 0.000 0.299 365 F C 0.198 175.581 175.800 -0.694 0.000 1.177 365 F CA 0.096 57.762 58.000 -0.556 0.000 1.450 365 F CB 0.207 38.711 39.000 -0.827 0.000 1.114 365 F HN -0.045 nan 8.300 nan 0.000 0.587 366 F N -0.726 119.200 119.950 -0.041 0.000 2.541 366 F HA 0.378 4.905 4.527 -0.000 0.000 0.331 366 F C 1.265 177.104 175.800 0.066 0.000 1.057 366 F CA -1.254 56.784 58.000 0.063 0.000 0.975 366 F CB 1.060 40.209 39.000 0.249 0.000 1.246 366 F HN -0.468 nan 8.300 nan 0.000 0.484 367 K N 0.306 120.855 120.400 0.249 0.000 1.980 367 K HA 0.049 4.369 4.320 -0.000 0.000 0.208 367 K C -0.232 176.464 176.600 0.160 0.000 1.043 367 K CA 1.251 57.617 56.287 0.131 0.000 0.938 367 K CB -0.056 32.491 32.500 0.078 0.000 0.724 367 K HN 0.573 nan 8.250 nan 0.000 0.438 368 N N 0.026 118.823 118.700 0.161 0.000 2.675 368 N HA 0.043 4.782 4.740 -0.000 0.000 0.254 368 N C -1.878 173.716 175.510 0.140 0.000 1.224 368 N CA -0.386 52.753 53.050 0.149 0.000 0.777 368 N CB 0.691 39.234 38.487 0.093 0.000 1.256 368 N HN 0.183 nan 8.380 nan 0.000 0.531 369 W N 3.755 125.069 121.300 0.024 0.000 2.251 369 W HA 0.208 4.868 4.660 -0.000 0.000 0.327 369 W C -0.494 176.009 176.519 -0.027 0.000 1.361 369 W CA 0.443 57.770 57.345 -0.030 0.000 1.234 369 W CB 0.512 29.932 29.460 -0.067 0.000 1.212 369 W HN 0.307 nan 8.180 nan 0.000 0.557 370 R N 3.779 124.106 120.500 -0.288 0.000 2.774 370 R HA 0.264 4.604 4.340 -0.000 0.000 0.272 370 R C -1.403 174.770 176.300 -0.212 0.000 1.000 370 R CA -0.758 55.273 56.100 -0.116 0.000 0.906 370 R CB 1.907 32.148 30.300 -0.098 0.000 1.227 370 R HN 0.392 nan 8.270 nan 0.000 0.468 371 D N 0.159 120.545 120.400 -0.024 0.000 2.375 371 D HA 0.242 4.881 4.640 -0.000 0.000 0.241 371 D C -2.250 174.056 176.300 0.010 0.000 1.361 371 D CA -1.693 52.299 54.000 -0.013 0.000 0.995 371 D CB 1.690 42.547 40.800 0.094 0.000 1.312 371 D HN -0.026 nan 8.370 nan 0.000 0.576 372 P HA -0.290 nan 4.420 nan 0.000 0.226 372 P C 1.050 178.358 177.300 0.014 0.000 1.154 372 P CA 1.352 64.452 63.100 -0.000 0.000 0.901 372 P CB 0.306 32.000 31.700 -0.010 0.000 0.788 373 D N -1.231 119.181 120.400 0.021 0.000 2.178 373 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 373 D C 1.004 177.322 176.300 0.030 0.000 0.980 373 D CA 0.914 54.929 54.000 0.025 0.000 0.842 373 D CB 0.009 40.827 40.800 0.030 0.000 0.948 373 D HN 0.254 nan 8.370 nan 0.000 0.472 374 Q N 0.208 120.031 119.800 0.039 0.000 2.242 374 Q HA 0.077 4.416 4.340 -0.000 0.000 0.246 374 Q C 1.263 177.286 176.000 0.039 0.000 0.883 374 Q CA 0.011 55.840 55.803 0.042 0.000 0.984 374 Q CB 0.651 29.425 28.738 0.059 0.000 1.096 374 Q HN 0.224 nan 8.270 nan 0.000 0.452 375 T N 0.269 114.842 114.554 0.031 0.000 2.701 375 T HA -0.051 4.299 4.350 -0.000 0.000 0.263 375 T C 0.755 175.471 174.700 0.028 0.000 1.040 375 T CA 1.067 63.185 62.100 0.030 0.000 1.147 375 T CB 0.249 69.131 68.868 0.023 0.000 0.865 375 T HN 0.247 nan 8.240 nan 0.000 0.426 376 E N 0.562 120.776 120.200 0.023 0.000 2.212 376 E HA 0.568 4.918 4.350 -0.000 0.000 0.270 376 E C 0.079 176.691 176.600 0.020 0.000 0.956 376 E CA -0.367 56.046 56.400 0.021 0.000 0.825 376 E CB 1.986 31.695 29.700 0.016 0.000 1.167 376 E HN 0.481 nan 8.360 nan 0.000 0.400 377 G N 0.837 109.648 108.800 0.018 0.000 2.334 377 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.566 377 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.566 377 G C -1.393 173.515 174.900 0.014 0.000 1.413 377 G CA -1.049 44.059 45.100 0.014 0.000 0.993 377 G HN 0.344 nan 8.290 nan 0.000 0.642 378 L N 1.934 123.161 121.223 0.008 0.000 2.281 378 L HA 0.531 4.870 4.340 -0.000 0.000 0.285 378 L C 1.490 178.360 176.870 0.000 0.000 1.074 378 L CA 1.002 55.844 54.840 0.005 0.000 0.817 378 L CB 0.452 42.510 42.059 -0.002 0.000 1.168 378 L HN 2.155 nan 8.230 nan 0.000 0.434 379 G N 3.799 112.601 108.800 0.004 0.000 2.641 379 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.254 379 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.254 379 G C -0.509 174.395 174.900 0.007 0.000 1.315 379 G CA -0.245 44.855 45.100 -0.001 0.000 0.907 379 G HN 0.520 nan 8.290 nan 0.000 0.572 380 L N -1.016 120.210 121.223 0.004 0.000 2.343 380 L HA 0.691 5.030 4.340 -0.000 0.000 0.264 380 L C 2.119 179.004 176.870 0.024 0.000 1.050 380 L CA -0.365 54.489 54.840 0.023 0.000 0.956 380 L CB 1.308 43.384 42.059 0.028 0.000 1.576 380 L HN 0.973 nan 8.230 nan 0.000 0.521 381 A N -0.941 121.913 122.820 0.056 0.000 2.169 381 A HA 0.013 4.333 4.320 -0.000 0.000 0.212 381 A C 0.004 177.653 177.584 0.110 0.000 1.153 381 A CA 0.937 53.014 52.037 0.065 0.000 0.756 381 A CB -0.102 18.948 19.000 0.083 0.000 0.813 381 A HN 0.506 nan 8.150 nan 0.000 0.471 382 Y N -1.560 118.721 120.300 -0.032 0.000 2.477 382 Y HA 0.564 5.114 4.550 -0.000 0.000 0.347 382 Y C -1.351 174.524 175.900 -0.043 0.000 0.981 382 Y CA -1.631 56.449 58.100 -0.034 0.000 1.033 382 Y CB 1.946 40.388 38.460 -0.029 0.000 1.245 382 Y HN 0.018 nan 8.280 nan 0.000 0.455 383 L N 4.852 125.734 121.223 -0.569 0.000 2.427 383 L HA 0.505 4.845 4.340 -0.000 0.000 0.264 383 L C -0.803 175.767 176.870 -0.501 0.000 0.989 383 L CA -0.158 54.460 54.840 -0.369 0.000 0.865 383 L CB 1.319 43.225 42.059 -0.254 0.000 1.209 383 L HN 0.613 nan 8.230 nan 0.000 0.430 384 S N 1.851 117.405 115.700 -0.242 0.000 2.702 384 S HA -0.074 4.396 4.470 -0.000 0.000 0.314 384 S C 1.485 175.965 174.600 -0.200 0.000 1.244 384 S CA 0.903 59.049 58.200 -0.089 0.000 1.058 384 S CB 0.782 63.962 63.200 -0.034 0.000 0.783 384 S HN 0.839 nan 8.310 nan 0.000 0.503 385 S N 2.885 118.568 115.700 -0.028 0.000 2.374 385 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 385 S C 1.749 176.343 174.600 -0.011 0.000 1.037 385 S CA 2.110 60.317 58.200 0.012 0.000 1.024 385 S CB -0.502 62.819 63.200 0.202 0.000 0.861 385 S HN 0.972 nan 8.310 nan 0.000 0.456 386 H N 0.488 119.543 119.070 -0.025 0.000 2.545 386 H HA 0.160 4.716 4.556 -0.000 0.000 0.282 386 H C 1.390 176.644 175.328 -0.122 0.000 1.020 386 H CA 1.294 57.274 56.048 -0.113 0.000 1.243 386 H CB -0.560 29.066 29.762 -0.227 0.000 1.377 386 H HN 0.665 nan 8.280 nan 0.000 0.581 387 I N -3.396 116.904 120.570 -0.451 0.000 3.947 387 I HA 0.596 4.766 4.170 -0.000 0.000 0.327 387 I C 1.652 177.646 176.117 -0.204 0.000 1.519 387 I CA -0.124 60.983 61.300 -0.321 0.000 1.122 387 I CB 0.765 38.561 38.000 -0.341 0.000 1.146 387 I HN 0.197 nan 8.210 nan 0.000 0.442 388 A N 1.636 124.401 122.820 -0.091 0.000 2.014 388 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 388 A C 2.067 179.640 177.584 -0.019 0.000 1.163 388 A CA 1.829 53.822 52.037 -0.074 0.000 0.652 388 A CB -1.168 17.789 19.000 -0.071 0.000 0.808 388 A HN 0.846 nan 8.150 nan 0.000 0.449 389 H N -2.478 116.531 119.070 -0.101 0.000 2.539 389 H HA 0.434 4.990 4.556 -0.000 0.000 0.267 389 H C -0.154 175.142 175.328 -0.054 0.000 0.982 389 H CA 0.144 56.148 56.048 -0.074 0.000 1.146 389 H CB -0.322 29.396 29.762 -0.073 0.000 1.382 389 H HN 0.079 nan 8.280 nan 0.000 0.577 390 V N 2.152 121.802 119.914 -0.441 0.000 2.470 390 V HA -0.035 4.084 4.120 -0.000 0.000 0.276 390 V C 0.571 176.570 176.094 -0.158 0.000 1.040 390 V CA -0.225 61.861 62.300 -0.358 0.000 1.008 390 V CB 0.949 32.607 31.823 -0.275 0.000 0.990 390 V HN 0.489 nan 8.190 nan 0.000 0.477 391 E N 4.951 125.081 120.200 -0.116 0.000 2.299 391 E HA 0.130 4.480 4.350 -0.000 0.000 0.272 391 E C -0.223 176.340 176.600 -0.062 0.000 1.043 391 E CA -0.666 55.694 56.400 -0.067 0.000 0.895 391 E CB 0.460 30.132 29.700 -0.046 0.000 1.011 391 E HN 0.430 nan 8.360 nan 0.000 0.432 392 R N 2.315 122.791 120.500 -0.040 0.000 2.347 392 R HA 0.147 4.486 4.340 -0.000 0.000 0.304 392 R C -0.268 176.035 176.300 0.005 0.000 1.072 392 R CA -0.340 55.747 56.100 -0.021 0.000 0.980 392 R CB 0.633 30.933 30.300 -0.001 0.000 0.986 392 R HN 0.298 nan 8.270 nan 0.000 0.448 393 V N 3.940 123.869 119.914 0.025 0.000 2.407 393 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 393 V C -2.332 173.880 176.094 0.195 0.000 1.018 393 V CA -2.287 60.050 62.300 0.062 0.000 0.842 393 V CB 2.073 33.910 31.823 0.023 0.000 0.996 393 V HN 0.585 nan 8.190 nan 0.000 0.426 394 P HA 0.260 nan 4.420 nan 0.000 0.276 394 P C -0.655 176.679 177.300 0.058 0.000 1.244 394 P CA -0.329 62.890 63.100 0.197 0.000 0.801 394 P CB 0.685 32.444 31.700 0.099 0.000 1.006 395 F N 1.626 121.381 119.950 -0.325 0.000 2.484 395 F HA 0.236 4.763 4.527 -0.000 0.000 0.360 395 F C 0.191 175.890 175.800 -0.167 0.000 1.101 395 F CA 0.673 58.425 58.000 -0.412 0.000 1.251 395 F CB 0.422 39.020 39.000 -0.669 0.000 1.132 395 F HN 0.206 nan 8.300 nan 0.000 0.570 396 D N 4.584 124.395 120.400 -0.981 0.000 2.365 396 D HA 0.350 4.990 4.640 -0.000 0.000 0.235 396 D C 0.365 176.185 176.300 -0.801 0.000 1.368 396 D CA 0.092 53.717 54.000 -0.625 0.000 1.001 396 D CB 1.391 42.001 40.800 -0.317 0.000 1.364 396 D HN 0.612 nan 8.370 nan 0.000 0.577 397 A N 3.347 125.791 122.820 -0.626 0.000 1.917 397 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 397 A C 2.255 179.756 177.584 -0.138 0.000 1.182 397 A CA 2.272 54.138 52.037 -0.286 0.000 0.633 397 A CB -0.768 18.263 19.000 0.050 0.000 0.819 397 A HN 0.684 nan 8.150 nan 0.000 0.448 398 A N -0.603 122.151 122.820 -0.110 0.000 1.884 398 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 398 A C 2.265 179.810 177.584 -0.065 0.000 1.197 398 A CA 2.803 54.819 52.037 -0.036 0.000 0.637 398 A CB -1.342 17.629 19.000 -0.048 0.000 0.827 398 A HN 1.005 nan 8.150 nan 0.000 0.450 399 T N -3.000 111.427 114.554 -0.211 0.000 3.145 399 T HA 0.300 4.650 4.350 -0.000 0.000 0.255 399 T C 1.283 175.755 174.700 -0.380 0.000 1.039 399 T CA 0.524 62.418 62.100 -0.344 0.000 0.928 399 T CB 0.074 68.792 68.868 -0.250 0.000 1.029 399 T HN 0.213 nan 8.240 nan 0.000 0.554 400 L N 2.596 123.649 121.223 -0.282 0.000 2.083 400 L HA -0.032 4.307 4.340 -0.000 0.000 0.209 400 L C 2.324 179.095 176.870 -0.165 0.000 1.083 400 L CA 2.126 56.866 54.840 -0.166 0.000 0.752 400 L CB -0.949 41.066 42.059 -0.074 0.000 0.899 400 L HN 0.628 nan 8.230 nan 0.000 0.433 401 H N -3.714 115.204 119.070 -0.254 0.000 2.518 401 H HA -0.095 4.461 4.556 -0.000 0.000 0.292 401 H C 1.791 176.798 175.328 -0.535 0.000 1.068 401 H CA 1.289 57.020 56.048 -0.528 0.000 1.275 401 H CB -0.957 28.658 29.762 -0.245 0.000 1.375 401 H HN 0.303 nan 8.280 nan 0.000 0.563 402 T N -0.719 113.524 114.554 -0.519 0.000 3.100 402 T HA 0.090 4.440 4.350 -0.000 0.000 0.253 402 T C 0.244 174.880 174.700 -0.107 0.000 1.118 402 T CA 0.646 62.557 62.100 -0.315 0.000 1.058 402 T CB -0.135 68.501 68.868 -0.387 0.000 0.953 402 T HN 0.378 nan 8.240 nan 0.000 0.515 403 S N 0.132 115.824 115.700 -0.014 0.000 2.750 403 S HA 0.318 4.788 4.470 -0.000 0.000 0.276 403 S C 1.128 175.856 174.600 0.212 0.000 1.165 403 S CA -0.222 58.027 58.200 0.081 0.000 1.047 403 S CB 1.200 64.398 63.200 -0.004 0.000 1.056 403 S HN 0.345 nan 8.310 nan 0.000 0.481 404 T N 2.420 117.063 114.554 0.150 0.000 2.904 404 T HA 0.052 4.401 4.350 -0.000 0.000 0.267 404 T C 2.080 176.714 174.700 -0.110 0.000 1.059 404 T CA 1.048 63.132 62.100 -0.026 0.000 1.137 404 T CB -0.502 68.320 68.868 -0.077 0.000 0.879 404 T HN 0.745 nan 8.240 nan 0.000 0.467 405 A N 1.862 124.627 122.820 -0.091 0.000 1.892 405 A HA -0.034 4.285 4.320 -0.000 0.000 0.218 405 A C 2.487 179.962 177.584 -0.181 0.000 1.188 405 A CA 2.004 53.933 52.037 -0.180 0.000 0.631 405 A CB -0.919 18.012 19.000 -0.115 0.000 0.822 405 A HN 0.574 nan 8.150 nan 0.000 0.447 406 M N -0.631 118.953 119.600 -0.027 0.000 2.086 406 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 406 M C 2.369 178.776 176.300 0.178 0.000 1.067 406 M CA 1.631 57.006 55.300 0.124 0.000 1.116 406 M CB -0.323 32.354 32.600 0.128 0.000 1.348 406 M HN 0.450 nan 8.290 nan 0.000 0.407 407 A N 0.478 123.362 122.820 0.106 0.000 1.873 407 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 407 A C 2.296 179.859 177.584 -0.034 0.000 1.193 407 A CA 2.433 54.514 52.037 0.074 0.000 0.629 407 A CB -1.368 17.587 19.000 -0.075 0.000 0.826 407 A HN 0.672 nan 8.150 nan 0.000 0.447 408 A N -1.165 121.503 122.820 -0.253 0.000 1.902 408 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 408 A C 2.111 179.417 177.584 -0.463 0.000 1.181 408 A CA 1.694 53.422 52.037 -0.516 0.000 0.623 408 A CB -0.540 17.724 19.000 -1.228 0.000 0.818 408 A HN 0.676 nan 8.150 nan 0.000 0.443 409 Q N -1.600 117.900 119.800 -0.501 0.000 2.311 409 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 409 Q C 0.895 176.644 176.000 -0.419 0.000 0.954 409 Q CA 0.952 56.471 55.803 -0.473 0.000 0.885 409 Q CB 0.056 28.481 28.738 -0.522 0.000 0.963 409 Q HN 0.806 nan 8.270 nan 0.000 0.471 410 H N -1.859 117.250 119.070 0.064 0.000 2.893 410 H HA 0.213 4.769 4.556 -0.000 0.000 0.270 410 H C 0.781 176.154 175.328 0.075 0.000 1.095 410 H CA 0.619 56.715 56.048 0.079 0.000 1.186 410 H CB 1.318 31.130 29.762 0.083 0.000 1.562 410 H HN 0.325 nan 8.280 nan 0.000 0.536 411 G N 2.058 110.969 108.800 0.185 0.000 2.246 411 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 411 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 411 G C 0.031 175.024 174.900 0.156 0.000 1.055 411 G CA 0.066 45.280 45.100 0.190 0.000 0.851 411 G HN 0.107 nan 8.290 nan 0.000 0.500 412 M N 0.571 120.265 119.600 0.157 0.000 2.046 412 M HA 0.301 4.780 4.480 -0.000 0.000 0.309 412 M C 0.293 176.638 176.300 0.075 0.000 0.935 412 M CA -0.795 54.627 55.300 0.203 0.000 0.915 412 M CB 1.308 34.089 32.600 0.301 0.000 1.474 412 M HN 0.007 nan 8.290 nan 0.000 0.415 413 D N 1.727 121.975 120.400 -0.254 0.000 2.277 413 D HA -0.037 4.603 4.640 -0.000 0.000 0.208 413 D C 0.268 176.608 176.300 0.065 0.000 0.962 413 D CA 1.309 55.112 54.000 -0.329 0.000 0.865 413 D CB 0.604 40.934 40.800 -0.783 0.000 0.939 413 D HN 0.702 nan 8.370 nan 0.000 0.510 414 D N -1.314 119.295 120.400 0.348 0.000 2.792 414 D HA -0.081 4.559 4.640 -0.000 0.000 0.335 414 D C 0.099 176.666 176.300 0.445 0.000 1.353 414 D CA -0.485 53.803 54.000 0.480 0.000 0.839 414 D CB 0.298 41.414 40.800 0.526 0.000 1.396 414 D HN -0.228 nan 8.370 nan 0.000 0.479 415 D N -0.850 119.759 120.400 0.348 0.000 2.218 415 D HA 0.149 4.789 4.640 -0.000 0.000 0.204 415 D C 1.686 178.078 176.300 0.153 0.000 0.976 415 D CA 1.629 55.788 54.000 0.265 0.000 0.853 415 D CB -0.462 40.461 40.800 0.206 0.000 0.939 415 D HN 1.166 nan 8.370 nan 0.000 0.481 416 G N -0.914 107.983 108.800 0.162 0.000 2.138 416 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.193 416 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.193 416 G C 0.807 175.771 174.900 0.107 0.000 0.998 416 G CA 0.558 45.627 45.100 -0.052 0.000 0.668 416 G HN 0.680 nan 8.290 nan 0.000 0.516 417 T N -1.549 113.140 114.554 0.225 0.000 3.092 417 T HA 0.564 4.913 4.350 -0.000 0.000 0.258 417 T C 1.369 176.168 174.700 0.165 0.000 1.031 417 T CA 1.003 63.199 62.100 0.159 0.000 0.925 417 T CB 0.945 69.876 68.868 0.106 0.000 1.036 417 T HN 1.296 nan 8.240 nan 0.000 0.544 418 G N 1.009 109.951 108.800 0.237 0.000 2.634 418 G HA2 0.452 4.411 3.960 -0.000 0.000 0.255 418 G HA3 0.452 4.411 3.960 -0.000 0.000 0.255 418 G C -0.493 174.360 174.900 -0.079 0.000 1.205 418 G CA -0.818 44.241 45.100 -0.067 0.000 0.884 418 G HN 0.532 nan 8.290 nan 0.000 0.549 419 Q N -0.409 119.301 119.800 -0.149 0.000 2.352 419 Q HA 0.404 4.744 4.340 -0.000 0.000 0.260 419 Q C 0.005 175.981 176.000 -0.040 0.000 0.976 419 Q CA 0.347 56.116 55.803 -0.056 0.000 0.881 419 Q CB 0.826 29.531 28.738 -0.055 0.000 1.235 419 Q HN 0.631 nan 8.270 nan 0.000 0.419 420 K N 0.505 120.953 120.400 0.080 0.000 2.523 420 K HA 0.397 4.716 4.320 -0.000 0.000 0.257 420 K C -1.181 175.475 176.600 0.093 0.000 0.932 420 K CA -1.117 55.247 56.287 0.128 0.000 0.812 420 K CB 1.582 34.231 32.500 0.248 0.000 1.326 420 K HN 0.192 nan 8.250 nan 0.000 0.433 421 Q N 2.606 122.372 119.800 -0.057 0.000 2.293 421 Q HA 0.471 4.811 4.340 -0.000 0.000 0.261 421 Q C -0.917 174.823 176.000 -0.433 0.000 0.960 421 Q CA -0.562 55.039 55.803 -0.337 0.000 0.882 421 Q CB 1.504 29.763 28.738 -0.798 0.000 1.275 421 Q HN 0.705 nan 8.270 nan 0.000 0.445 422 I N 2.330 122.637 120.570 -0.438 0.000 2.441 422 I HA 0.444 4.614 4.170 -0.000 0.000 0.295 422 I C -0.449 175.541 176.117 -0.212 0.000 0.994 422 I CA -0.689 60.420 61.300 -0.319 0.000 1.144 422 I CB 1.580 39.218 38.000 -0.604 0.000 1.314 422 I HN 0.285 nan 8.210 nan 0.000 0.445 423 W N 4.654 126.081 121.300 0.212 0.000 2.864 423 W HA 0.530 5.190 4.660 -0.000 0.000 0.343 423 W C -0.314 176.353 176.519 0.247 0.000 1.109 423 W CA -0.758 56.707 57.345 0.201 0.000 1.192 423 W CB 2.100 31.651 29.460 0.150 0.000 1.426 423 W HN 0.335 nan 8.180 nan 0.000 0.529 424 R N 1.181 121.895 120.500 0.357 0.000 2.589 424 R HA 0.575 4.915 4.340 -0.000 0.000 0.293 424 R C -1.210 175.113 176.300 0.038 0.000 0.963 424 R CA -0.504 55.607 56.100 0.019 0.000 0.905 424 R CB 1.889 32.133 30.300 -0.094 0.000 1.144 424 R HN 0.258 nan 8.270 nan 0.000 0.459 425 V N 4.173 124.062 119.914 -0.041 0.000 2.406 425 V HA 0.207 4.327 4.120 -0.000 0.000 0.272 425 V C -0.395 175.678 176.094 -0.035 0.000 1.043 425 V CA -0.113 62.178 62.300 -0.015 0.000 0.915 425 V CB 1.245 33.067 31.823 -0.003 0.000 0.988 425 V HN 0.791 nan 8.190 nan 0.000 0.466 426 E N 3.891 124.081 120.200 -0.018 0.000 2.182 426 E HA 0.588 4.938 4.350 -0.000 0.000 0.258 426 E C 0.712 177.303 176.600 -0.016 0.000 0.879 426 E CA 0.162 56.551 56.400 -0.019 0.000 0.754 426 E CB 1.820 31.513 29.700 -0.012 0.000 1.162 426 E HN 0.873 nan 8.360 nan 0.000 0.419 427 G N 3.035 111.825 108.800 -0.017 0.000 2.557 427 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.292 427 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.292 427 G C 0.658 175.546 174.900 -0.021 0.000 1.162 427 G CA 0.320 45.410 45.100 -0.017 0.000 0.964 427 G HN 0.805 nan 8.290 nan 0.000 0.541 428 S N 0.628 116.314 115.700 -0.024 0.000 2.588 428 S HA 0.553 5.022 4.470 -0.000 0.000 0.245 428 S C 0.124 174.698 174.600 -0.043 0.000 1.021 428 S CA 0.462 58.643 58.200 -0.032 0.000 1.006 428 S CB -0.081 63.101 63.200 -0.030 0.000 0.830 428 S HN 0.745 nan 8.310 nan 0.000 0.468 429 N N 0.930 119.606 118.700 -0.041 0.000 2.240 429 N HA 0.401 5.141 4.740 -0.000 0.000 0.302 429 N C -1.430 174.044 175.510 -0.060 0.000 1.106 429 N CA -0.892 52.127 53.050 -0.052 0.000 0.778 429 N CB 1.423 39.895 38.487 -0.026 0.000 1.431 429 N HN 0.122 nan 8.380 nan 0.000 0.479 430 K N 0.948 121.273 120.400 -0.126 0.000 2.234 430 K HA 0.481 4.801 4.320 -0.000 0.000 0.282 430 K C -1.049 175.577 176.600 0.043 0.000 1.039 430 K CA -0.545 55.646 56.287 -0.160 0.000 0.928 430 K CB 1.309 33.401 32.500 -0.680 0.000 1.039 430 K HN 0.157 nan 8.250 nan 0.000 0.470 431 V N 5.061 125.123 119.914 0.247 0.000 2.443 431 V HA 0.205 4.324 4.120 -0.000 0.000 0.293 431 V C -2.382 173.960 176.094 0.413 0.000 1.021 431 V CA -2.417 60.050 62.300 0.278 0.000 0.848 431 V CB 1.496 33.403 31.823 0.140 0.000 0.998 431 V HN 0.649 nan 8.190 nan 0.000 0.424 432 P HA 0.017 nan 4.420 nan 0.000 0.261 432 P C -0.122 177.276 177.300 0.163 0.000 1.183 432 P CA 0.360 63.583 63.100 0.205 0.000 0.761 432 P CB 0.361 32.144 31.700 0.139 0.000 0.785 433 V N 3.677 123.693 119.914 0.169 0.000 2.715 433 V HA -0.004 4.116 4.120 -0.000 0.000 0.299 433 V C 0.889 177.109 176.094 0.210 0.000 1.054 433 V CA -0.054 62.369 62.300 0.205 0.000 1.077 433 V CB 0.538 32.485 31.823 0.207 0.000 0.972 433 V HN 0.532 nan 8.190 nan 0.000 0.484 434 D N 6.253 126.728 120.400 0.125 0.000 2.412 434 D HA 0.073 4.713 4.640 -0.000 0.000 0.257 434 D C -1.507 174.784 176.300 -0.015 0.000 1.217 434 D CA -1.494 52.530 54.000 0.040 0.000 0.897 434 D CB 1.403 42.217 40.800 0.024 0.000 1.132 434 D HN 0.224 nan 8.370 nan 0.000 0.493 435 P HA -0.160 nan 4.420 nan 0.000 0.220 435 P C 0.896 177.999 177.300 -0.328 0.000 1.144 435 P CA 1.470 64.196 63.100 -0.625 0.000 0.800 435 P CB 0.123 31.518 31.700 -0.508 0.000 0.772 436 A N -0.441 122.293 122.820 -0.144 0.000 1.933 436 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 436 A C 2.036 179.601 177.584 -0.031 0.000 1.175 436 A CA 2.272 54.264 52.037 -0.075 0.000 0.628 436 A CB -1.757 17.214 19.000 -0.048 0.000 0.814 436 A HN 0.340 nan 8.150 nan 0.000 0.444 437 T N -4.164 110.394 114.554 0.008 0.000 3.129 437 T HA 0.155 4.505 4.350 -0.000 0.000 0.251 437 T C 0.181 174.858 174.700 -0.039 0.000 1.117 437 T CA -0.360 61.741 62.100 0.003 0.000 1.034 437 T CB -0.508 68.383 68.868 0.038 0.000 0.968 437 T HN 0.215 nan 8.240 nan 0.000 0.526 438 Y N 2.441 122.620 120.300 -0.201 0.000 2.865 438 Y HA 0.335 4.885 4.550 -0.000 0.000 0.338 438 Y C 1.735 177.367 175.900 -0.448 0.000 1.269 438 Y CA 0.697 58.654 58.100 -0.239 0.000 1.585 438 Y CB -0.480 37.968 38.460 -0.019 0.000 1.224 438 Y HN 0.454 nan 8.280 nan 0.000 0.554 439 G N 2.776 111.039 108.800 -0.895 0.000 2.253 439 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.209 439 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.209 439 G C 0.033 174.357 174.900 -0.959 0.000 0.997 439 G CA -0.430 43.795 45.100 -1.459 0.000 0.640 439 G HN 0.517 nan 8.290 nan 0.000 0.496 440 Q N -0.063 119.217 119.800 -0.866 0.000 2.314 440 Q HA 0.681 5.021 4.340 -0.000 0.000 0.259 440 Q C -1.184 174.249 176.000 -0.944 0.000 0.951 440 Q CA -0.391 55.011 55.803 -0.669 0.000 0.909 440 Q CB 1.033 29.622 28.738 -0.249 0.000 1.236 440 Q HN 0.261 nan 8.270 nan 0.000 0.444 441 F N 1.611 121.166 119.950 -0.658 0.000 2.529 441 F HA 0.401 4.928 4.527 -0.000 0.000 0.320 441 F C -0.747 174.889 175.800 -0.273 0.000 1.118 441 F CA -0.778 56.771 58.000 -0.751 0.000 0.915 441 F CB 1.215 39.302 39.000 -1.521 0.000 1.161 441 F HN 0.430 nan 8.300 nan 0.000 0.445 442 Y N 0.464 120.972 120.300 0.346 0.000 2.330 442 Y HA 0.387 4.936 4.550 -0.000 0.000 0.336 442 Y C 1.228 177.480 175.900 0.586 0.000 1.036 442 Y CA -0.539 57.844 58.100 0.471 0.000 1.125 442 Y CB 1.968 40.663 38.460 0.393 0.000 1.194 442 Y HN 0.808 nan 8.280 nan 0.000 0.469 443 G N 1.346 110.511 108.800 0.608 0.000 2.625 443 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.214 443 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.214 443 G C 1.448 176.561 174.900 0.354 0.000 1.132 443 G CA 0.706 46.114 45.100 0.513 0.000 0.782 443 G HN 0.907 nan 8.290 nan 0.000 0.538 444 G N -0.572 108.434 108.800 0.344 0.000 3.042 444 G HA2 0.201 4.160 3.960 -0.000 0.000 0.212 444 G HA3 0.201 4.160 3.960 -0.000 0.000 0.212 444 G C -0.001 175.008 174.900 0.182 0.000 1.166 444 G CA -0.117 45.110 45.100 0.212 0.000 0.767 444 G HN 0.266 nan 8.290 nan 0.000 0.546 445 D N -0.223 120.344 120.400 0.279 0.000 2.340 445 D HA 0.600 5.240 4.640 -0.000 0.000 0.243 445 D C -0.590 175.850 176.300 0.235 0.000 0.988 445 D CA -0.154 53.921 54.000 0.125 0.000 0.959 445 D CB 1.845 42.568 40.800 -0.129 0.000 1.226 445 D HN -0.115 nan 8.370 nan 0.000 0.509 446 S N 0.009 115.745 115.700 0.061 0.000 2.513 446 S HA 0.588 5.058 4.470 -0.000 0.000 0.299 446 S C -1.104 173.559 174.600 0.106 0.000 1.087 446 S CA -0.623 57.709 58.200 0.220 0.000 1.012 446 S CB 0.796 64.072 63.200 0.127 0.000 1.044 446 S HN 0.250 nan 8.310 nan 0.000 0.485 447 Y N 1.346 121.907 120.300 0.435 0.000 2.562 447 Y HA 0.703 5.253 4.550 -0.000 0.000 0.343 447 Y C 0.043 176.164 175.900 0.368 0.000 1.025 447 Y CA -1.254 57.090 58.100 0.408 0.000 1.082 447 Y CB 1.178 39.938 38.460 0.499 0.000 1.264 447 Y HN 0.658 nan 8.280 nan 0.000 0.478 448 I N 1.267 122.168 120.570 0.552 0.000 2.545 448 I HA 0.743 4.913 4.170 -0.000 0.000 0.292 448 I C -1.778 174.683 176.117 0.573 0.000 1.040 448 I CA -0.756 60.840 61.300 0.493 0.000 1.068 448 I CB 1.407 39.617 38.000 0.349 0.000 1.251 448 I HN 0.467 nan 8.210 nan 0.000 0.424 449 I N 7.141 127.993 120.570 0.470 0.000 2.404 449 I HA 0.397 4.566 4.170 -0.000 0.000 0.293 449 I C -0.884 175.471 176.117 0.397 0.000 0.992 449 I CA -0.632 60.898 61.300 0.383 0.000 1.149 449 I CB 1.794 40.002 38.000 0.347 0.000 1.315 449 I HN 0.501 nan 8.210 nan 0.000 0.446 450 L N 8.080 129.508 121.223 0.343 0.000 2.280 450 L HA 0.475 4.815 4.340 -0.000 0.000 0.287 450 L C -1.509 175.529 176.870 0.280 0.000 1.023 450 L CA -0.332 54.700 54.840 0.320 0.000 0.819 450 L CB 0.534 42.815 42.059 0.370 0.000 1.212 450 L HN 0.504 nan 8.230 nan 0.000 0.420 451 Y N 4.680 125.087 120.300 0.177 0.000 2.393 451 Y HA 0.555 5.105 4.550 -0.000 0.000 0.341 451 Y C -0.619 175.387 175.900 0.177 0.000 0.988 451 Y CA -0.696 57.514 58.100 0.183 0.000 1.078 451 Y CB 1.325 39.949 38.460 0.273 0.000 1.203 451 Y HN 0.650 nan 8.280 nan 0.000 0.453 452 N N 5.078 123.466 118.700 -0.519 0.000 2.419 452 N HA 0.187 4.927 4.740 -0.000 0.000 0.277 452 N C -1.561 173.627 175.510 -0.537 0.000 1.006 452 N CA -0.325 52.492 53.050 -0.389 0.000 0.923 452 N CB 0.754 39.078 38.487 -0.270 0.000 1.140 452 N HN 0.615 nan 8.380 nan 0.000 0.488 453 Y N -0.137 120.097 120.300 -0.110 0.000 2.409 453 Y HA 0.792 5.342 4.550 -0.000 0.000 0.339 453 Y C -0.618 175.357 175.900 0.126 0.000 1.033 453 Y CA -1.227 56.961 58.100 0.146 0.000 1.094 453 Y CB 1.098 39.807 38.460 0.415 0.000 1.210 453 Y HN 0.183 nan 8.280 nan 0.000 0.456 454 R N 2.612 123.326 120.500 0.356 0.000 2.513 454 R HA 0.290 4.630 4.340 -0.000 0.000 0.301 454 R C -1.067 175.464 176.300 0.386 0.000 0.968 454 R CA -0.684 55.571 56.100 0.258 0.000 0.872 454 R CB 0.655 31.024 30.300 0.115 0.000 1.177 454 R HN 0.911 nan 8.270 nan 0.000 0.444 455 H N 2.511 121.744 119.070 0.273 0.000 2.676 455 H HA 0.158 4.714 4.556 -0.000 0.000 0.238 455 H C 0.861 176.306 175.328 0.196 0.000 1.276 455 H CA 0.549 56.745 56.048 0.247 0.000 0.983 455 H CB 0.551 30.467 29.762 0.257 0.000 2.000 455 H HN 0.856 nan 8.280 nan 0.000 0.584 456 G N 1.397 110.273 108.800 0.126 0.000 4.217 456 G HA2 -0.555 3.404 3.960 -0.000 0.000 0.366 456 G HA3 -0.555 3.404 3.960 -0.000 0.000 0.366 456 G C 1.807 176.792 174.900 0.141 0.000 1.707 456 G CA 2.519 47.677 45.100 0.097 0.000 1.697 456 G HN 0.689 nan 8.290 nan 0.000 0.855 457 S N 0.651 116.458 115.700 0.178 0.000 2.399 457 S HA -0.188 4.282 4.470 -0.000 0.000 0.235 457 S C 1.284 176.012 174.600 0.212 0.000 1.063 457 S CA 2.362 60.687 58.200 0.207 0.000 1.070 457 S CB -0.065 63.298 63.200 0.271 0.000 0.904 457 S HN 0.941 nan 8.310 nan 0.000 0.456 458 R N 0.449 121.113 120.500 0.274 0.000 2.621 458 R HA 0.485 4.825 4.340 -0.000 0.000 0.284 458 R C -1.295 175.136 176.300 0.217 0.000 0.998 458 R CA -0.570 55.681 56.100 0.252 0.000 0.895 458 R CB 1.687 32.171 30.300 0.308 0.000 1.195 458 R HN 0.457 nan 8.270 nan 0.000 0.450 459 Q N 0.662 120.490 119.800 0.047 0.000 2.351 459 Q HA 0.763 5.103 4.340 -0.000 0.000 0.273 459 Q C -0.459 175.244 176.000 -0.495 0.000 1.077 459 Q CA -1.085 54.587 55.803 -0.220 0.000 0.843 459 Q CB 2.701 31.368 28.738 -0.119 0.000 1.367 459 Q HN 0.831 nan 8.270 nan 0.000 0.449 460 G N 0.304 108.484 108.800 -1.034 0.000 2.341 460 G HA2 0.284 4.244 3.960 -0.000 0.000 0.299 460 G HA3 0.284 4.244 3.960 -0.000 0.000 0.299 460 G C -1.914 172.642 174.900 -0.573 0.000 1.274 460 G CA -0.654 43.992 45.100 -0.758 0.000 0.853 460 G HN 0.405 nan 8.290 nan 0.000 0.493 461 Q N -0.630 119.120 119.800 -0.083 0.000 2.372 461 Q HA 0.648 4.988 4.340 -0.000 0.000 0.273 461 Q C -1.085 175.068 176.000 0.255 0.000 1.078 461 Q CA -0.669 55.193 55.803 0.097 0.000 0.806 461 Q CB 3.043 31.796 28.738 0.025 0.000 1.332 461 Q HN 0.491 nan 8.270 nan 0.000 0.435 462 I N 2.422 123.171 120.570 0.299 0.000 2.474 462 I HA 0.469 4.639 4.170 -0.000 0.000 0.294 462 I C -0.588 175.550 176.117 0.034 0.000 1.005 462 I CA -0.804 60.554 61.300 0.097 0.000 1.113 462 I CB 1.694 39.687 38.000 -0.012 0.000 1.289 462 I HN 0.431 nan 8.210 nan 0.000 0.436 463 I N 5.967 126.492 120.570 -0.076 0.000 2.354 463 I HA 0.280 4.449 4.170 -0.000 0.000 0.286 463 I C -1.055 175.002 176.117 -0.100 0.000 1.007 463 I CA -0.566 60.741 61.300 0.011 0.000 1.167 463 I CB 0.737 38.772 38.000 0.059 0.000 1.320 463 I HN 0.382 nan 8.210 nan 0.000 0.458 464 Y N 4.887 125.291 120.300 0.174 0.000 2.327 464 Y HA 0.211 4.761 4.550 -0.000 0.000 0.336 464 Y C 0.647 176.656 175.900 0.182 0.000 1.035 464 Y CA -0.447 57.740 58.100 0.146 0.000 1.165 464 Y CB 0.857 39.388 38.460 0.119 0.000 1.181 464 Y HN 0.499 nan 8.280 nan 0.000 0.494 465 N N 4.166 123.045 118.700 0.298 0.000 2.609 465 N HA 0.084 4.824 4.740 -0.000 0.000 0.234 465 N C -1.411 174.262 175.510 0.272 0.000 1.001 465 N CA -0.534 52.672 53.050 0.260 0.000 0.926 465 N CB 0.412 38.987 38.487 0.147 0.000 1.130 465 N HN 0.703 nan 8.380 nan 0.000 0.510 466 W N 3.673 125.059 121.300 0.144 0.000 2.322 466 W HA 0.217 4.877 4.660 -0.000 0.000 0.307 466 W C -0.539 176.067 176.519 0.144 0.000 1.220 466 W CA -0.292 57.096 57.345 0.073 0.000 1.210 466 W CB 0.776 30.198 29.460 -0.064 0.000 1.223 466 W HN 0.372 nan 8.180 nan 0.000 0.511 467 Q N 5.050 124.630 119.800 -0.368 0.000 2.381 467 Q HA 0.331 4.671 4.340 -0.000 0.000 0.263 467 Q C 0.431 176.055 176.000 -0.626 0.000 1.030 467 Q CA -0.752 54.881 55.803 -0.283 0.000 0.772 467 Q CB 1.598 30.219 28.738 -0.194 0.000 1.232 467 Q HN 0.696 nan 8.270 nan 0.000 0.476 468 G N 1.061 109.649 108.800 -0.354 0.000 2.414 468 G HA2 0.176 4.136 3.960 -0.000 0.000 0.236 468 G HA3 0.176 4.136 3.960 -0.000 0.000 0.236 468 G C 0.861 175.654 174.900 -0.178 0.000 1.293 468 G CA 0.189 45.134 45.100 -0.259 0.000 0.869 468 G HN 0.757 nan 8.290 nan 0.000 0.556 469 A N 1.432 124.165 122.820 -0.146 0.000 2.067 469 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 469 A C 2.000 179.569 177.584 -0.026 0.000 1.158 469 A CA 1.492 53.476 52.037 -0.090 0.000 0.661 469 A CB -0.020 18.941 19.000 -0.065 0.000 0.801 469 A HN 0.652 nan 8.150 nan 0.000 0.452 470 Q N -0.826 118.989 119.800 0.025 0.000 2.194 470 Q HA 0.207 4.547 4.340 -0.000 0.000 0.214 470 Q C 0.325 176.355 176.000 0.050 0.000 0.838 470 Q CA -0.199 55.631 55.803 0.044 0.000 0.972 470 Q CB 0.493 29.277 28.738 0.076 0.000 1.131 470 Q HN 0.478 nan 8.270 nan 0.000 0.498 471 S N 0.892 116.619 115.700 0.046 0.000 2.562 471 S HA 0.068 4.538 4.470 -0.000 0.000 0.281 471 S C 0.308 174.917 174.600 0.015 0.000 1.333 471 S CA -0.411 57.815 58.200 0.045 0.000 1.052 471 S CB 0.553 63.781 63.200 0.046 0.000 0.884 471 S HN 0.401 nan 8.310 nan 0.000 0.506 472 T N 3.454 118.017 114.554 0.014 0.000 2.900 472 T HA 0.148 4.497 4.350 -0.000 0.000 0.307 472 T C 1.177 175.873 174.700 -0.006 0.000 1.065 472 T CA -0.527 61.574 62.100 0.002 0.000 1.105 472 T CB 0.498 69.367 68.868 0.001 0.000 0.979 472 T HN 0.625 nan 8.240 nan 0.000 0.544 473 Q N 1.369 121.162 119.800 -0.012 0.000 2.096 473 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 473 Q C 2.177 178.167 176.000 -0.017 0.000 0.982 473 Q CA 2.141 57.933 55.803 -0.018 0.000 0.850 473 Q CB -0.587 28.139 28.738 -0.020 0.000 0.901 473 Q HN 0.968 nan 8.270 nan 0.000 0.422 474 D N -0.266 120.126 120.400 -0.014 0.000 2.178 474 D HA -0.188 4.452 4.640 -0.000 0.000 0.201 474 D C 1.312 177.604 176.300 -0.013 0.000 0.980 474 D CA 0.977 54.969 54.000 -0.015 0.000 0.842 474 D CB -0.197 40.595 40.800 -0.013 0.000 0.948 474 D HN 0.365 nan 8.370 nan 0.000 0.472 475 E N 0.456 120.650 120.200 -0.010 0.000 2.076 475 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 475 E C 2.537 179.136 176.600 -0.001 0.000 0.979 475 E CA 0.305 56.701 56.400 -0.007 0.000 0.807 475 E CB 0.168 29.866 29.700 -0.004 0.000 0.761 475 E HN 0.120 nan 8.360 nan 0.000 0.454 476 V N 1.844 121.756 119.914 -0.004 0.000 2.231 476 V HA -0.326 3.793 4.120 -0.000 0.000 0.248 476 V C 2.453 178.541 176.094 -0.010 0.000 1.054 476 V CA 2.165 64.461 62.300 -0.007 0.000 1.015 476 V CB -0.814 30.994 31.823 -0.025 0.000 0.638 476 V HN 0.313 nan 8.190 nan 0.000 0.444 477 A N -0.347 122.463 122.820 -0.017 0.000 1.940 477 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 477 A C 2.395 179.968 177.584 -0.018 0.000 1.176 477 A CA 2.331 54.356 52.037 -0.020 0.000 0.631 477 A CB -0.819 18.167 19.000 -0.024 0.000 0.814 477 A HN 0.630 nan 8.150 nan 0.000 0.446 478 A N 0.361 123.172 122.820 -0.015 0.000 1.877 478 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 478 A C 2.538 180.114 177.584 -0.014 0.000 1.186 478 A CA 2.441 54.467 52.037 -0.018 0.000 0.620 478 A CB -1.111 17.878 19.000 -0.019 0.000 0.822 478 A HN 1.091 nan 8.150 nan 0.000 0.443 479 S N 0.349 116.051 115.700 0.002 0.000 2.383 479 S HA -0.056 4.414 4.470 -0.000 0.000 0.229 479 S C 2.064 176.677 174.600 0.021 0.000 1.030 479 S CA 1.577 59.793 58.200 0.025 0.000 1.002 479 S CB -0.718 62.521 63.200 0.064 0.000 0.829 479 S HN 0.935 nan 8.310 nan 0.000 0.467 480 A N 1.847 124.671 122.820 0.007 0.000 1.873 480 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 480 A C 2.244 179.820 177.584 -0.014 0.000 1.186 480 A CA 1.380 53.417 52.037 -0.001 0.000 0.616 480 A CB -0.828 18.164 19.000 -0.013 0.000 0.823 480 A HN 0.555 nan 8.150 nan 0.000 0.442 481 I N -0.398 120.158 120.570 -0.023 0.000 2.286 481 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 481 I C 2.308 178.400 176.117 -0.041 0.000 1.115 481 I CA 1.007 62.288 61.300 -0.032 0.000 1.392 481 I CB -0.201 37.779 38.000 -0.033 0.000 1.065 481 I HN 0.269 nan 8.210 nan 0.000 0.418 482 L N -0.360 120.837 121.223 -0.044 0.000 2.141 482 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 482 L C 2.532 179.361 176.870 -0.068 0.000 1.094 482 L CA 1.265 56.063 54.840 -0.071 0.000 0.763 482 L CB -0.674 41.334 42.059 -0.085 0.000 0.908 482 L HN 0.233 nan 8.230 nan 0.000 0.437 483 T N -0.258 114.279 114.554 -0.028 0.000 2.737 483 T HA -0.163 4.187 4.350 -0.000 0.000 0.265 483 T C 2.021 176.708 174.700 -0.022 0.000 1.038 483 T CA 1.330 63.428 62.100 -0.004 0.000 1.144 483 T CB -0.246 68.639 68.868 0.028 0.000 0.866 483 T HN 0.433 nan 8.240 nan 0.000 0.434 484 A N 1.269 124.071 122.820 -0.029 0.000 1.940 484 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 484 A C 2.285 179.839 177.584 -0.049 0.000 1.176 484 A CA 1.572 53.586 52.037 -0.039 0.000 0.631 484 A CB -0.628 18.349 19.000 -0.038 0.000 0.814 484 A HN 0.537 nan 8.150 nan 0.000 0.446 485 Q N -1.378 118.389 119.800 -0.055 0.000 2.083 485 Q HA -0.106 4.233 4.340 -0.000 0.000 0.198 485 Q C 2.098 178.056 176.000 -0.070 0.000 0.969 485 Q CA 1.296 57.060 55.803 -0.064 0.000 0.838 485 Q CB -0.259 28.436 28.738 -0.071 0.000 0.900 485 Q HN 0.588 nan 8.270 nan 0.000 0.436 486 L N 1.211 122.388 121.223 -0.077 0.000 2.083 486 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 486 L C 1.619 178.461 176.870 -0.046 0.000 1.083 486 L CA 2.022 56.819 54.840 -0.073 0.000 0.752 486 L CB -0.480 41.532 42.059 -0.080 0.000 0.899 486 L HN 0.143 nan 8.230 nan 0.000 0.433 487 D N -0.824 119.549 120.400 -0.044 0.000 2.092 487 D HA -0.263 4.376 4.640 -0.000 0.000 0.193 487 D C 2.135 178.392 176.300 -0.072 0.000 0.994 487 D CA 1.658 55.625 54.000 -0.054 0.000 0.828 487 D CB 0.009 40.775 40.800 -0.057 0.000 0.963 487 D HN 0.499 nan 8.370 nan 0.000 0.450 488 E N -0.283 119.877 120.200 -0.068 0.000 2.051 488 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 488 E C 1.926 178.486 176.600 -0.065 0.000 0.991 488 E CA 1.113 57.471 56.400 -0.070 0.000 0.799 488 E CB 0.045 29.709 29.700 -0.061 0.000 0.748 488 E HN 0.458 nan 8.360 nan 0.000 0.449 489 E N -0.074 120.091 120.200 -0.058 0.000 2.268 489 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 489 E C 1.351 177.923 176.600 -0.046 0.000 0.995 489 E CA 0.385 56.755 56.400 -0.049 0.000 0.836 489 E CB 0.121 29.793 29.700 -0.047 0.000 0.763 489 E HN 0.152 nan 8.360 nan 0.000 0.491 490 L N -0.355 120.836 121.223 -0.053 0.000 2.653 490 L HA 0.258 4.598 4.340 -0.000 0.000 0.231 490 L C 1.191 178.006 176.870 -0.092 0.000 1.153 490 L CA 0.953 55.761 54.840 -0.053 0.000 0.933 490 L CB 0.334 42.372 42.059 -0.034 0.000 1.175 490 L HN 0.264 nan 8.230 nan 0.000 0.473 491 G N -1.648 107.090 108.800 -0.103 0.000 2.184 491 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.206 491 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.206 491 G C 1.103 175.890 174.900 -0.188 0.000 0.995 491 G CA 0.030 45.048 45.100 -0.136 0.000 0.651 491 G HN 0.881 nan 8.290 nan 0.000 0.511 492 G N -1.139 107.553 108.800 -0.181 0.000 2.225 492 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.254 492 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.254 492 G C 1.829 176.554 174.900 -0.291 0.000 0.988 492 G CA 1.966 46.945 45.100 -0.201 0.000 0.625 492 G HN 2.161 nan 8.290 nan 0.000 0.527 493 T N -1.266 113.038 114.554 -0.416 0.000 2.857 493 T HA 0.200 4.549 4.350 -0.000 0.000 0.266 493 T C -0.900 173.638 174.700 -0.270 0.000 1.048 493 T CA 1.001 62.728 62.100 -0.622 0.000 1.139 493 T CB -0.726 67.652 68.868 -0.817 0.000 0.874 493 T HN 0.437 nan 8.240 nan 0.000 0.455 494 P HA 0.337 nan 4.420 nan 0.000 0.271 494 P C -0.117 177.172 177.300 -0.018 0.000 1.218 494 P CA -0.470 62.607 63.100 -0.039 0.000 0.780 494 P CB 0.612 32.298 31.700 -0.023 0.000 0.901 495 V N 3.053 122.991 119.914 0.041 0.000 2.872 495 V HA 0.007 4.127 4.120 -0.000 0.000 0.307 495 V C 0.606 176.673 176.094 -0.046 0.000 1.072 495 V CA 0.612 62.919 62.300 0.012 0.000 1.148 495 V CB 0.028 31.874 31.823 0.038 0.000 0.954 495 V HN 0.550 nan 8.190 nan 0.000 0.490 496 Q N 2.340 122.106 119.800 -0.056 0.000 2.303 496 Q HA 0.463 4.803 4.340 -0.000 0.000 0.267 496 Q C -1.079 174.882 176.000 -0.066 0.000 1.011 496 Q CA -0.137 55.629 55.803 -0.062 0.000 0.740 496 Q CB 1.697 30.411 28.738 -0.041 0.000 1.250 496 Q HN 0.764 nan 8.270 nan 0.000 0.458 497 S N 3.799 119.444 115.700 -0.093 0.000 2.596 497 S HA 0.418 4.888 4.470 -0.000 0.000 0.318 497 S C -1.001 173.633 174.600 0.057 0.000 1.097 497 S CA -0.681 57.493 58.200 -0.042 0.000 1.080 497 S CB 0.752 63.885 63.200 -0.111 0.000 0.991 497 S HN 0.691 nan 8.310 nan 0.000 0.471 498 R N 3.936 124.453 120.500 0.030 0.000 2.265 498 R HA 0.591 4.931 4.340 -0.000 0.000 0.314 498 R C -0.569 175.742 176.300 0.019 0.000 1.053 498 R CA -0.316 55.801 56.100 0.029 0.000 0.931 498 R CB 0.804 31.094 30.300 -0.017 0.000 1.024 498 R HN 0.486 nan 8.270 nan 0.000 0.457 499 V N 3.872 123.799 119.914 0.021 0.000 2.914 499 V HA 0.653 4.773 4.120 -0.000 0.000 0.314 499 V C -1.225 174.725 176.094 -0.240 0.000 1.084 499 V CA -0.614 61.652 62.300 -0.057 0.000 0.963 499 V CB 2.297 34.139 31.823 0.031 0.000 1.025 499 V HN 0.530 nan 8.190 nan 0.000 0.432 500 V N 4.985 124.726 119.914 -0.288 0.000 2.628 500 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 500 V C 0.155 175.956 176.094 -0.488 0.000 1.045 500 V CA -0.553 61.493 62.300 -0.423 0.000 0.905 500 V CB 1.551 33.217 31.823 -0.263 0.000 0.997 500 V HN 1.145 nan 8.190 nan 0.000 0.436 501 Q N 2.410 121.756 119.800 -0.757 0.000 2.368 501 Q HA 0.168 4.508 4.340 -0.000 0.000 0.331 501 Q C 1.224 177.149 176.000 -0.125 0.000 1.086 501 Q CA 1.607 57.152 55.803 -0.430 0.000 1.031 501 Q CB 0.063 28.575 28.738 -0.376 0.000 1.125 501 Q HN 1.291 nan 8.270 nan 0.000 0.389 502 G N 3.701 112.515 108.800 0.024 0.000 2.317 502 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.227 502 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.227 502 G C 0.182 175.079 174.900 -0.004 0.000 1.042 502 G CA 0.217 45.324 45.100 0.011 0.000 0.623 502 G HN 0.545 nan 8.290 nan 0.000 0.509 503 K N 1.778 122.158 120.400 -0.034 0.000 2.847 503 K HA 0.400 4.720 4.320 -0.000 0.000 0.213 503 K C -0.280 176.303 176.600 -0.028 0.000 1.174 503 K CA -0.213 56.051 56.287 -0.037 0.000 1.095 503 K CB 0.807 33.264 32.500 -0.070 0.000 1.581 503 K HN 0.453 nan 8.250 nan 0.000 0.514 504 E N 2.493 122.696 120.200 0.005 0.000 2.316 504 E HA 0.138 4.488 4.350 -0.000 0.000 0.275 504 E C -2.140 174.447 176.600 -0.022 0.000 1.029 504 E CA -1.622 54.781 56.400 0.005 0.000 0.871 504 E CB 0.477 30.184 29.700 0.011 0.000 1.022 504 E HN 0.197 nan 8.360 nan 0.000 0.418 505 P HA 0.039 nan 4.420 nan 0.000 0.274 505 P C -0.062 177.219 177.300 -0.031 0.000 1.246 505 P CA -0.213 62.879 63.100 -0.013 0.000 0.795 505 P CB 1.178 32.894 31.700 0.026 0.000 1.006 506 A N 1.124 123.950 122.820 0.010 0.000 1.908 506 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 506 A C 2.219 179.777 177.584 -0.043 0.000 1.181 506 A CA 2.237 54.267 52.037 -0.012 0.000 0.627 506 A CB -1.851 17.161 19.000 0.019 0.000 0.818 506 A HN 0.759 nan 8.150 nan 0.000 0.445 507 H N -1.151 117.855 119.070 -0.107 0.000 2.395 507 H HA 0.018 4.574 4.556 -0.000 0.000 0.299 507 H C 1.728 176.861 175.328 -0.325 0.000 1.070 507 H CA 1.466 57.425 56.048 -0.148 0.000 1.356 507 H CB -0.120 29.628 29.762 -0.022 0.000 1.401 507 H HN 0.328 nan 8.280 nan 0.000 0.524 508 L N -0.087 120.868 121.223 -0.447 0.000 2.093 508 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 508 L C 1.966 178.576 176.870 -0.434 0.000 1.085 508 L CA 1.544 55.956 54.840 -0.712 0.000 0.755 508 L CB -0.492 41.051 42.059 -0.860 0.000 0.904 508 L HN 0.373 nan 8.230 nan 0.000 0.435 509 M N -0.987 118.465 119.600 -0.245 0.000 2.279 509 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 509 M C 1.762 178.008 176.300 -0.090 0.000 1.062 509 M CA 1.644 56.895 55.300 -0.082 0.000 1.099 509 M CB -0.470 32.087 32.600 -0.072 0.000 1.394 509 M HN 0.549 nan 8.290 nan 0.000 0.426 510 S N -0.221 115.318 115.700 -0.268 0.000 2.614 510 S HA 0.219 4.689 4.470 -0.000 0.000 0.230 510 S C 1.156 175.508 174.600 -0.414 0.000 0.952 510 S CA -0.334 57.712 58.200 -0.256 0.000 0.949 510 S CB -0.432 62.634 63.200 -0.223 0.000 0.786 510 S HN 0.464 nan 8.310 nan 0.000 0.478 511 L N 0.084 120.856 121.223 -0.752 0.000 2.591 511 L HA 0.344 4.683 4.340 -0.000 0.000 0.228 511 L C 0.032 176.421 176.870 -0.802 0.000 1.133 511 L CA 0.410 54.702 54.840 -0.914 0.000 0.880 511 L CB -0.351 40.988 42.059 -1.200 0.000 1.033 511 L HN 0.416 nan 8.230 nan 0.000 0.450 512 F N -0.308 119.607 119.950 -0.059 0.000 2.908 512 F HA 0.428 4.955 4.527 -0.000 0.000 0.328 512 F C 1.500 177.296 175.800 -0.007 0.000 1.211 512 F CA -0.185 57.805 58.000 -0.015 0.000 1.291 512 F CB 0.180 39.158 39.000 -0.036 0.000 0.962 512 F HN 0.096 nan 8.300 nan 0.000 0.505 513 G N 1.153 110.005 108.800 0.085 0.000 2.550 513 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.277 513 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.277 513 G C 1.174 176.108 174.900 0.057 0.000 1.190 513 G CA -0.115 45.026 45.100 0.067 0.000 0.971 513 G HN 0.602 nan 8.290 nan 0.000 0.559 514 G N 0.159 108.989 108.800 0.050 0.000 3.042 514 G HA2 0.412 4.372 3.960 -0.000 0.000 0.212 514 G HA3 0.412 4.372 3.960 -0.000 0.000 0.212 514 G C 0.701 175.623 174.900 0.035 0.000 1.166 514 G CA 0.992 46.114 45.100 0.037 0.000 0.767 514 G HN 0.665 nan 8.290 nan 0.000 0.546 515 K N 1.385 121.818 120.400 0.055 0.000 2.258 515 K HA 0.262 4.582 4.320 -0.000 0.000 0.264 515 K C -2.090 174.529 176.600 0.033 0.000 1.007 515 K CA -1.237 55.068 56.287 0.030 0.000 0.941 515 K CB 0.874 33.392 32.500 0.030 0.000 0.966 515 K HN 0.059 nan 8.250 nan 0.000 0.480 516 P HA 0.051 nan 4.420 nan 0.000 0.279 516 P C -0.976 176.242 177.300 -0.137 0.000 1.252 516 P CA -0.402 62.664 63.100 -0.056 0.000 0.811 516 P CB 0.756 32.400 31.700 -0.092 0.000 1.035 517 M N 2.990 122.523 119.600 -0.111 0.000 2.143 517 M HA 0.232 4.711 4.480 -0.000 0.000 0.348 517 M C -0.450 175.689 176.300 -0.267 0.000 1.375 517 M CA -0.294 54.859 55.300 -0.245 0.000 1.124 517 M CB -0.168 32.388 32.600 -0.072 0.000 1.669 517 M HN 0.167 nan 8.290 nan 0.000 0.469 518 I N 6.157 126.498 120.570 -0.382 0.000 2.331 518 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 518 I C -0.584 175.226 176.117 -0.513 0.000 0.998 518 I CA -0.678 60.346 61.300 -0.460 0.000 1.267 518 I CB 1.086 38.719 38.000 -0.612 0.000 1.386 518 I HN 0.373 nan 8.210 nan 0.000 0.476 519 V N 7.644 127.319 119.914 -0.399 0.000 2.409 519 V HA 0.322 4.442 4.120 -0.000 0.000 0.290 519 V C -0.558 175.411 176.094 -0.209 0.000 1.017 519 V CA -0.625 61.517 62.300 -0.263 0.000 0.841 519 V CB 1.224 33.054 31.823 0.010 0.000 1.003 519 V HN 0.446 nan 8.190 nan 0.000 0.426 520 Y N 3.421 123.703 120.300 -0.030 0.000 2.304 520 Y HA 0.227 4.777 4.550 -0.000 0.000 0.328 520 Y C 1.461 177.394 175.900 0.056 0.000 1.123 520 Y CA -0.400 57.683 58.100 -0.030 0.000 1.218 520 Y CB 1.319 39.626 38.460 -0.255 0.000 1.207 520 Y HN 0.659 nan 8.280 nan 0.000 0.495 521 K N 1.601 122.104 120.400 0.171 0.000 2.228 521 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 521 K C 1.119 177.813 176.600 0.157 0.000 1.051 521 K CA 0.814 57.175 56.287 0.124 0.000 0.960 521 K CB -0.224 32.289 32.500 0.022 0.000 0.743 521 K HN 0.840 nan 8.250 nan 0.000 0.458 522 G N 0.622 109.526 108.800 0.173 0.000 2.393 522 G HA2 0.224 4.184 3.960 -0.000 0.000 0.268 522 G HA3 0.224 4.184 3.960 -0.000 0.000 0.268 522 G C 0.624 175.670 174.900 0.243 0.000 1.472 522 G CA -0.112 45.090 45.100 0.170 0.000 1.059 522 G HN 0.382 nan 8.290 nan 0.000 0.555 523 G N -1.800 107.139 108.800 0.232 0.000 3.048 523 G HA2 0.393 4.353 3.960 -0.000 0.000 0.151 523 G HA3 0.393 4.353 3.960 -0.000 0.000 0.151 523 G C 0.360 175.421 174.900 0.270 0.000 1.803 523 G CA 1.083 46.302 45.100 0.198 0.000 1.047 523 G HN 0.837 nan 8.290 nan 0.000 0.513 524 T N -2.244 112.354 114.554 0.074 0.000 2.905 524 T HA 0.477 4.827 4.350 -0.000 0.000 0.283 524 T C 0.505 174.879 174.700 -0.543 0.000 1.031 524 T CA 0.313 62.364 62.100 -0.081 0.000 1.002 524 T CB 1.509 70.348 68.868 -0.049 0.000 1.200 524 T HN 0.883 nan 8.240 nan 0.000 0.560 525 S N 0.532 115.935 115.700 -0.496 0.000 2.941 525 S HA 0.302 4.772 4.470 -0.000 0.000 0.251 525 S C 0.348 174.816 174.600 -0.221 0.000 1.029 525 S CA -0.831 57.032 58.200 -0.562 0.000 1.062 525 S CB -0.231 62.616 63.200 -0.589 0.000 0.977 525 S HN 0.843 nan 8.310 nan 0.000 0.552 526 R N 1.376 121.782 120.500 -0.155 0.000 2.541 526 R HA 0.471 4.811 4.340 -0.000 0.000 0.254 526 R C 0.966 177.224 176.300 -0.070 0.000 1.130 526 R CA -0.211 55.841 56.100 -0.081 0.000 1.152 526 R CB 0.191 30.456 30.300 -0.059 0.000 1.222 526 R HN 0.327 nan 8.270 nan 0.000 0.579 527 E N 0.525 120.701 120.200 -0.040 0.000 2.879 527 E HA -0.302 4.048 4.350 -0.000 0.000 0.329 527 E C 0.489 177.066 176.600 -0.039 0.000 1.106 527 E CA 1.661 58.042 56.400 -0.031 0.000 1.303 527 E CB -1.049 28.639 29.700 -0.021 0.000 1.056 527 E HN 0.760 nan 8.360 nan 0.000 0.471 528 G N 0.042 108.823 108.800 -0.032 0.000 4.126 528 G HA2 0.431 4.391 3.960 -0.000 0.000 0.282 528 G HA3 0.431 4.391 3.960 -0.000 0.000 0.282 528 G C 0.563 175.441 174.900 -0.036 0.000 1.221 528 G CA 0.062 45.142 45.100 -0.033 0.000 1.527 528 G HN 0.548 nan 8.290 nan 0.000 0.612 529 G N 0.948 109.716 108.800 -0.053 0.000 2.421 529 G HA2 0.019 3.979 3.960 -0.000 0.000 0.217 529 G HA3 0.019 3.979 3.960 -0.000 0.000 0.217 529 G C 1.166 176.036 174.900 -0.049 0.000 1.143 529 G CA 0.976 46.043 45.100 -0.054 0.000 0.784 529 G HN 0.852 nan 8.290 nan 0.000 0.541 530 Q N -0.516 119.248 119.800 -0.061 0.000 1.890 530 Q HA -0.363 3.977 4.340 -0.000 0.000 0.435 530 Q C -0.022 175.963 176.000 -0.025 0.000 0.839 530 Q CA 1.755 57.532 55.803 -0.043 0.000 0.778 530 Q CB -2.435 26.286 28.738 -0.028 0.000 3.954 530 Q HN 0.861 nan 8.270 nan 0.000 0.790 531 T N -0.570 113.978 114.554 -0.011 0.000 0.600 531 T HA 0.207 4.557 4.350 -0.000 0.000 0.767 531 T C -0.154 174.550 174.700 0.007 0.000 0.991 531 T CA 0.701 62.802 62.100 0.003 0.000 4.044 531 T CB -1.152 67.723 68.868 0.013 0.000 2.284 531 T HN 1.269 nan 8.240 nan 0.000 0.395 532 A N 4.498 127.321 122.820 0.005 0.000 2.246 532 A HA 0.861 5.181 4.320 -0.000 0.000 0.291 532 A C -1.489 176.100 177.584 0.008 0.000 1.103 532 A CA -1.425 50.615 52.037 0.004 0.000 0.844 532 A CB -0.409 18.591 19.000 0.000 0.000 1.136 532 A HN 0.727 nan 8.150 nan 0.000 0.500 533 P HA 0.081 nan 4.420 nan 0.000 0.275 533 P C -0.307 177.000 177.300 0.012 0.000 1.195 533 P CA 1.080 64.185 63.100 0.009 0.000 0.779 533 P CB 0.132 31.839 31.700 0.012 0.000 0.793 534 A N 1.303 124.131 122.820 0.014 0.000 2.304 534 A HA 0.391 4.710 4.320 -0.000 0.000 0.301 534 A C 1.529 179.122 177.584 0.015 0.000 1.132 534 A CA 0.248 52.290 52.037 0.009 0.000 0.819 534 A CB 0.299 19.298 19.000 -0.000 0.000 1.094 534 A HN 0.558 nan 8.150 nan 0.000 0.492 535 S N 1.320 117.026 115.700 0.012 0.000 2.359 535 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 535 S C 0.778 175.392 174.600 0.024 0.000 1.035 535 S CA 1.762 59.972 58.200 0.017 0.000 1.018 535 S CB -0.526 62.681 63.200 0.012 0.000 0.876 535 S HN 0.722 nan 8.310 nan 0.000 0.448 536 T N 2.933 117.494 114.554 0.012 0.000 2.770 536 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 536 T C -0.558 174.139 174.700 -0.005 0.000 0.988 536 T CA -0.696 61.410 62.100 0.009 0.000 0.957 536 T CB 1.334 70.193 68.868 -0.015 0.000 0.930 536 T HN 0.322 nan 8.240 nan 0.000 0.443 537 R N 2.296 122.809 120.500 0.022 0.000 2.628 537 R HA 0.656 4.995 4.340 -0.000 0.000 0.288 537 R C -1.282 175.008 176.300 -0.017 0.000 0.980 537 R CA -0.881 55.204 56.100 -0.026 0.000 0.891 537 R CB 2.171 32.497 30.300 0.044 0.000 1.188 537 R HN 0.429 nan 8.270 nan 0.000 0.450 538 L N 2.941 124.069 121.223 -0.159 0.000 2.334 538 L HA 0.609 4.949 4.340 -0.000 0.000 0.276 538 L C -1.394 175.317 176.870 -0.265 0.000 1.014 538 L CA -0.841 53.961 54.840 -0.063 0.000 0.815 538 L CB 1.284 43.316 42.059 -0.044 0.000 1.268 538 L HN 0.562 nan 8.230 nan 0.000 0.428 539 F N 2.012 122.008 119.950 0.077 0.000 2.518 539 F HA 0.361 4.888 4.527 -0.000 0.000 0.323 539 F C 0.105 175.802 175.800 -0.172 0.000 1.129 539 F CA -0.478 57.513 58.000 -0.016 0.000 0.920 539 F CB 1.884 40.872 39.000 -0.021 0.000 1.160 539 F HN 0.382 nan 8.300 nan 0.000 0.440 540 Q N 2.511 122.189 119.800 -0.202 0.000 2.267 540 Q HA 0.617 4.957 4.340 -0.000 0.000 0.255 540 Q C -1.434 174.345 176.000 -0.369 0.000 0.923 540 Q CA -0.473 54.889 55.803 -0.734 0.000 0.925 540 Q CB 1.453 29.879 28.738 -0.520 0.000 1.195 540 Q HN 0.574 nan 8.270 nan 0.000 0.417 541 V N 5.419 125.093 119.914 -0.400 0.000 2.305 541 V HA 0.397 4.516 4.120 -0.000 0.000 0.275 541 V C -0.279 175.751 176.094 -0.108 0.000 1.020 541 V CA -0.617 61.586 62.300 -0.161 0.000 0.811 541 V CB 0.964 32.737 31.823 -0.083 0.000 1.031 541 V HN 0.722 nan 8.190 nan 0.000 0.439 542 R N 2.896 123.350 120.500 -0.077 0.000 2.540 542 R HA 0.832 5.172 4.340 -0.000 0.000 0.287 542 R C -0.106 176.186 176.300 -0.014 0.000 0.980 542 R CA -0.147 55.938 56.100 -0.027 0.000 0.966 542 R CB 1.653 31.946 30.300 -0.013 0.000 1.106 542 R HN 0.733 nan 8.270 nan 0.000 0.480 543 A N 1.707 124.529 122.820 0.004 0.000 2.322 543 A HA 0.588 4.908 4.320 -0.000 0.000 0.327 543 A C -0.700 176.884 177.584 0.000 0.000 1.134 543 A CA -0.611 51.424 52.037 -0.003 0.000 0.831 543 A CB 1.449 20.450 19.000 0.002 0.000 1.288 543 A HN 0.844 nan 8.150 nan 0.000 0.472 544 S N -0.491 115.194 115.700 -0.024 0.000 2.739 544 S HA 0.484 4.954 4.470 -0.000 0.000 0.306 544 S C 0.933 175.501 174.600 -0.053 0.000 1.115 544 S CA 0.214 58.397 58.200 -0.028 0.000 0.985 544 S CB 1.103 64.269 63.200 -0.057 0.000 1.133 544 S HN 0.695 nan 8.310 nan 0.000 0.541 545 S N 1.486 117.165 115.700 -0.034 0.000 2.380 545 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 545 S C 2.006 176.398 174.600 -0.347 0.000 1.043 545 S CA 1.984 60.142 58.200 -0.070 0.000 1.038 545 S CB -0.915 62.373 63.200 0.148 0.000 0.872 545 S HN 0.887 nan 8.310 nan 0.000 0.456 546 S N 0.268 115.609 115.700 -0.599 0.000 2.474 546 S HA 0.254 4.724 4.470 -0.000 0.000 0.235 546 S C 1.717 176.099 174.600 -0.364 0.000 0.997 546 S CA 0.749 58.310 58.200 -1.065 0.000 0.949 546 S CB -0.387 62.284 63.200 -0.882 0.000 0.766 546 S HN 0.854 nan 8.310 nan 0.000 0.517 547 G N 0.857 109.549 108.800 -0.179 0.000 2.176 547 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.232 547 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.232 547 G C 0.195 175.065 174.900 -0.051 0.000 0.986 547 G CA -0.136 44.930 45.100 -0.057 0.000 0.643 547 G HN 1.070 nan 8.290 nan 0.000 0.522 548 A N 0.214 122.981 122.820 -0.087 0.000 2.332 548 A HA 0.801 5.121 4.320 -0.000 0.000 0.258 548 A C 0.763 178.321 177.584 -0.044 0.000 1.087 548 A CA 1.205 53.207 52.037 -0.060 0.000 0.802 548 A CB 0.448 19.396 19.000 -0.087 0.000 1.042 548 A HN 1.751 nan 8.150 nan 0.000 0.489 549 T N -0.945 113.592 114.554 -0.027 0.000 2.907 549 T HA 0.725 5.075 4.350 -0.000 0.000 0.292 549 T C -0.472 174.208 174.700 -0.034 0.000 1.043 549 T CA -0.933 61.149 62.100 -0.030 0.000 1.003 549 T CB 1.470 70.320 68.868 -0.030 0.000 1.084 549 T HN 0.987 nan 8.240 nan 0.000 0.483 550 R N 0.464 120.937 120.500 -0.044 0.000 2.670 550 R HA 0.798 5.138 4.340 -0.000 0.000 0.289 550 R C -1.227 175.033 176.300 -0.066 0.000 0.965 550 R CA -1.077 54.988 56.100 -0.058 0.000 0.899 550 R CB 1.730 32.003 30.300 -0.046 0.000 1.173 550 R HN 0.801 nan 8.270 nan 0.000 0.456 551 A N 3.531 126.302 122.820 -0.082 0.000 2.258 551 A HA 0.528 4.848 4.320 -0.000 0.000 0.316 551 A C -0.679 176.920 177.584 0.025 0.000 1.279 551 A CA -0.757 51.257 52.037 -0.038 0.000 0.876 551 A CB 1.248 20.197 19.000 -0.086 0.000 1.170 551 A HN 0.485 nan 8.150 nan 0.000 0.520 552 V N 2.522 122.463 119.914 0.045 0.000 2.435 552 V HA 0.327 4.447 4.120 -0.000 0.000 0.290 552 V C 0.322 176.412 176.094 -0.007 0.000 1.030 552 V CA -0.681 61.639 62.300 0.033 0.000 0.881 552 V CB 1.489 33.313 31.823 0.001 0.000 0.983 552 V HN 0.984 nan 8.190 nan 0.000 0.445 553 E N 4.432 124.568 120.200 -0.107 0.000 2.259 553 E HA 0.530 4.880 4.350 -0.000 0.000 0.281 553 E C -0.627 175.837 176.600 -0.226 0.000 1.037 553 E CA -0.299 55.834 56.400 -0.445 0.000 0.854 553 E CB 0.834 30.243 29.700 -0.486 0.000 1.051 553 E HN 0.711 nan 8.360 nan 0.000 0.409 554 I N 0.569 121.000 120.570 -0.232 0.000 3.206 554 I HA 0.454 4.624 4.170 -0.000 0.000 0.313 554 I C -0.377 175.671 176.117 -0.115 0.000 1.103 554 I CA -1.378 59.855 61.300 -0.112 0.000 0.985 554 I CB 1.177 39.153 38.000 -0.039 0.000 1.240 554 I HN 0.289 nan 8.210 nan 0.000 0.464 555 I N 2.533 123.059 120.570 -0.073 0.000 2.618 555 I HA 0.166 4.336 4.170 -0.000 0.000 0.284 555 I C -2.094 173.972 176.117 -0.085 0.000 1.146 555 I CA -1.720 59.536 61.300 -0.073 0.000 1.425 555 I CB -0.396 37.573 38.000 -0.053 0.000 1.383 555 I HN 0.410 nan 8.210 nan 0.000 0.562 556 P HA 0.270 nan 4.420 nan 0.000 0.260 556 P C -0.519 176.692 177.300 -0.148 0.000 1.651 556 P CA -0.015 63.008 63.100 -0.129 0.000 1.139 556 P CB 0.188 31.814 31.700 -0.124 0.000 1.756 557 K N 0.924 121.229 120.400 -0.157 0.000 2.400 557 K HA 0.637 4.957 4.320 -0.000 0.000 0.246 557 K C 0.880 177.343 176.600 -0.229 0.000 0.995 557 K CA -0.904 55.288 56.287 -0.158 0.000 0.840 557 K CB 2.463 34.901 32.500 -0.104 0.000 1.293 557 K HN 0.005 nan 8.250 nan 0.000 0.445 558 A N 0.847 123.550 122.820 -0.196 0.000 1.929 558 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 558 A C 1.510 178.937 177.584 -0.262 0.000 1.176 558 A CA 1.711 53.608 52.037 -0.233 0.000 0.628 558 A CB -0.607 18.402 19.000 0.015 0.000 0.816 558 A HN 0.783 nan 8.150 nan 0.000 0.444 559 G N -1.217 107.487 108.800 -0.160 0.000 3.340 559 G HA2 0.374 4.334 3.960 -0.000 0.000 0.240 559 G HA3 0.374 4.334 3.960 -0.000 0.000 0.240 559 G C 0.626 175.471 174.900 -0.091 0.000 1.327 559 G CA 0.699 45.727 45.100 -0.120 0.000 1.170 559 G HN 0.787 nan 8.290 nan 0.000 0.520 560 A N -0.301 122.437 122.820 -0.136 0.000 2.551 560 A HA 0.519 4.838 4.320 -0.000 0.000 0.252 560 A C 0.710 178.234 177.584 -0.101 0.000 1.199 560 A CA -0.341 51.661 52.037 -0.058 0.000 0.972 560 A CB 0.283 19.267 19.000 -0.027 0.000 1.153 560 A HN 0.282 nan 8.150 nan 0.000 0.559 561 L N 1.188 122.188 121.223 -0.372 0.000 2.452 561 L HA 0.253 4.593 4.340 -0.000 0.000 0.267 561 L C 0.029 176.807 176.870 -0.154 0.000 1.188 561 L CA -0.232 54.154 54.840 -0.757 0.000 0.821 561 L CB 0.547 42.016 42.059 -0.984 0.000 1.102 561 L HN 0.342 nan 8.230 nan 0.000 0.470 562 N N 0.234 118.916 118.700 -0.030 0.000 2.454 562 N HA 0.078 4.817 4.740 -0.000 0.000 0.291 562 N C -0.009 175.811 175.510 0.516 0.000 1.079 562 N CA -0.204 53.066 53.050 0.368 0.000 0.893 562 N CB 2.094 40.873 38.487 0.487 0.000 1.512 562 N HN 0.467 nan 8.380 nan 0.000 0.497 563 S N 2.399 118.321 115.700 0.371 0.000 2.469 563 S HA -0.021 4.449 4.470 -0.000 0.000 0.238 563 S C 0.899 175.655 174.600 0.260 0.000 0.998 563 S CA 1.186 59.575 58.200 0.315 0.000 0.957 563 S CB -0.111 63.135 63.200 0.077 0.000 0.764 563 S HN 0.620 nan 8.310 nan 0.000 0.514 564 N N 0.716 119.578 118.700 0.270 0.000 2.280 564 N HA 0.140 4.880 4.740 -0.000 0.000 0.192 564 N C -0.676 174.961 175.510 0.212 0.000 1.109 564 N CA 0.194 53.359 53.050 0.192 0.000 0.855 564 N CB 0.436 39.015 38.487 0.153 0.000 0.974 564 N HN 0.294 nan 8.380 nan 0.000 0.482 565 D N -0.215 120.396 120.400 0.352 0.000 2.450 565 D HA 0.461 5.101 4.640 -0.000 0.000 0.238 565 D C -0.453 176.103 176.300 0.427 0.000 1.020 565 D CA -0.679 53.498 54.000 0.295 0.000 1.010 565 D CB 1.453 42.361 40.800 0.181 0.000 1.342 565 D HN -0.024 nan 8.370 nan 0.000 0.530 566 A N 0.506 123.476 122.820 0.249 0.000 2.327 566 A HA 0.618 4.938 4.320 -0.000 0.000 0.283 566 A C -1.021 176.755 177.584 0.320 0.000 1.127 566 A CA -0.237 51.996 52.037 0.327 0.000 0.810 566 A CB 0.112 19.205 19.000 0.155 0.000 1.066 566 A HN 0.360 nan 8.150 nan 0.000 0.492 567 F N 0.488 120.684 119.950 0.410 0.000 2.579 567 F HA 0.618 5.145 4.527 -0.000 0.000 0.324 567 F C -0.064 175.918 175.800 0.302 0.000 1.058 567 F CA -0.723 57.469 58.000 0.320 0.000 0.944 567 F CB 2.500 41.652 39.000 0.253 0.000 1.245 567 F HN 0.274 nan 8.300 nan 0.000 0.477 568 V N 3.267 123.439 119.914 0.430 0.000 2.525 568 V HA 0.398 4.518 4.120 -0.000 0.000 0.299 568 V C -1.387 174.938 176.094 0.385 0.000 1.034 568 V CA -0.622 61.886 62.300 0.347 0.000 0.863 568 V CB 1.909 33.839 31.823 0.179 0.000 0.999 568 V HN 0.512 nan 8.190 nan 0.000 0.423 569 L N 5.696 127.123 121.223 0.340 0.000 2.301 569 L HA 0.580 4.920 4.340 -0.000 0.000 0.278 569 L C -0.089 176.943 176.870 0.271 0.000 1.022 569 L CA -0.363 54.628 54.840 0.253 0.000 0.854 569 L CB 1.054 43.170 42.059 0.095 0.000 1.226 569 L HN 0.665 nan 8.230 nan 0.000 0.429 570 K N 3.133 123.674 120.400 0.236 0.000 2.297 570 K HA 0.538 4.858 4.320 -0.000 0.000 0.286 570 K C -0.659 176.019 176.600 0.130 0.000 1.053 570 K CA -0.007 56.383 56.287 0.170 0.000 0.940 570 K CB 0.875 33.483 32.500 0.179 0.000 1.019 570 K HN 0.622 nan 8.250 nan 0.000 0.475 571 T N 5.008 119.626 114.554 0.107 0.000 2.909 571 T HA 0.330 4.680 4.350 -0.000 0.000 0.299 571 T C -2.049 172.683 174.700 0.055 0.000 1.073 571 T CA -2.088 60.066 62.100 0.090 0.000 0.999 571 T CB 1.487 70.448 68.868 0.154 0.000 1.098 571 T HN 0.481 nan 8.240 nan 0.000 0.477 572 P HA -0.172 nan 4.420 nan 0.000 0.216 572 P C 1.633 178.946 177.300 0.021 0.000 1.154 572 P CA 1.208 64.325 63.100 0.028 0.000 0.865 572 P CB 0.030 31.746 31.700 0.026 0.000 0.789 573 S N -0.471 115.247 115.700 0.029 0.000 2.462 573 S HA 0.023 4.493 4.470 -0.000 0.000 0.219 573 S C 0.955 175.543 174.600 -0.019 0.000 1.048 573 S CA 1.473 59.684 58.200 0.018 0.000 1.119 573 S CB -0.806 62.422 63.200 0.046 0.000 1.100 573 S HN 0.283 nan 8.310 nan 0.000 0.411 574 A N -0.348 122.435 122.820 -0.063 0.000 2.525 574 A HA 0.856 5.176 4.320 -0.000 0.000 0.291 574 A C -1.047 176.405 177.584 -0.220 0.000 1.268 574 A CA -0.327 51.620 52.037 -0.150 0.000 0.712 574 A CB 0.808 19.681 19.000 -0.212 0.000 1.320 574 A HN 1.327 nan 8.150 nan 0.000 0.456 575 A N -0.448 122.217 122.820 -0.258 0.000 2.330 575 A HA 0.707 5.027 4.320 -0.000 0.000 0.313 575 A C -1.623 175.843 177.584 -0.198 0.000 1.124 575 A CA -0.315 51.632 52.037 -0.149 0.000 0.774 575 A CB 0.381 19.364 19.000 -0.028 0.000 1.198 575 A HN 0.712 nan 8.150 nan 0.000 0.465 576 Y N 1.252 121.640 120.300 0.147 0.000 2.342 576 Y HA 0.505 5.055 4.550 -0.000 0.000 0.334 576 Y C 0.115 176.156 175.900 0.236 0.000 1.067 576 Y CA -0.556 57.674 58.100 0.216 0.000 1.128 576 Y CB 1.796 40.472 38.460 0.361 0.000 1.200 576 Y HN 0.555 nan 8.280 nan 0.000 0.464 577 L N 4.633 126.061 121.223 0.341 0.000 2.504 577 L HA 0.350 4.690 4.340 -0.000 0.000 0.249 577 L C -1.112 175.948 176.870 0.317 0.000 1.120 577 L CA -0.485 54.525 54.840 0.283 0.000 0.997 577 L CB -0.100 42.050 42.059 0.150 0.000 1.349 577 L HN 0.723 nan 8.230 nan 0.000 0.439 578 W N 4.700 126.146 121.300 0.244 0.000 2.469 578 W HA 0.390 5.050 4.660 -0.000 0.000 0.321 578 W C -0.529 176.097 176.519 0.178 0.000 1.415 578 W CA -0.125 57.319 57.345 0.165 0.000 1.308 578 W CB 0.943 30.535 29.460 0.220 0.000 1.368 578 W HN 0.254 nan 8.180 nan 0.000 0.546 579 V N 9.325 129.059 119.914 -0.299 0.000 2.350 579 V HA 0.693 4.813 4.120 -0.000 0.000 0.285 579 V C 0.535 176.210 176.094 -0.699 0.000 1.014 579 V CA -0.403 61.727 62.300 -0.283 0.000 0.831 579 V CB 0.394 32.141 31.823 -0.126 0.000 1.000 579 V HN 0.675 nan 8.190 nan 0.000 0.433 580 G N 4.245 112.636 108.800 -0.681 0.000 2.667 580 G HA2 0.449 4.409 3.960 -0.000 0.000 0.250 580 G HA3 0.449 4.409 3.960 -0.000 0.000 0.250 580 G C 1.061 175.783 174.900 -0.297 0.000 1.212 580 G CA 0.051 44.741 45.100 -0.684 0.000 0.874 580 G HN 1.419 nan 8.290 nan 0.000 0.561 581 A N 0.419 123.112 122.820 -0.212 0.000 1.883 581 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 581 A C 2.551 180.098 177.584 -0.062 0.000 1.186 581 A CA 2.298 54.261 52.037 -0.123 0.000 0.624 581 A CB -0.982 17.962 19.000 -0.093 0.000 0.822 581 A HN 1.140 nan 8.150 nan 0.000 0.444 582 G N -0.800 107.987 108.800 -0.021 0.000 2.598 582 G HA2 0.326 4.286 3.960 -0.000 0.000 0.215 582 G HA3 0.326 4.286 3.960 -0.000 0.000 0.215 582 G C 0.781 175.696 174.900 0.024 0.000 1.131 582 G CA 0.774 45.883 45.100 0.014 0.000 0.785 582 G HN 0.833 nan 8.290 nan 0.000 0.539 583 A N 0.095 122.924 122.820 0.015 0.000 2.366 583 A HA 0.624 4.944 4.320 -0.000 0.000 0.250 583 A C 0.818 178.407 177.584 0.008 0.000 1.099 583 A CA 0.564 52.618 52.037 0.028 0.000 0.794 583 A CB 0.469 19.486 19.000 0.029 0.000 1.056 583 A HN 0.935 nan 8.150 nan 0.000 0.499 584 S N -1.396 114.314 115.700 0.017 0.000 2.811 584 S HA 0.454 4.924 4.470 -0.000 0.000 0.311 584 S C 0.772 175.376 174.600 0.007 0.000 1.152 584 S CA 0.306 58.512 58.200 0.010 0.000 0.864 584 S CB 0.927 64.138 63.200 0.018 0.000 1.226 584 S HN 0.938 nan 8.310 nan 0.000 0.541 585 E N 1.088 121.292 120.200 0.006 0.000 2.118 585 E HA -0.056 4.293 4.350 -0.000 0.000 0.195 585 E C 1.878 178.483 176.600 0.008 0.000 0.992 585 E CA 1.831 58.234 56.400 0.005 0.000 0.804 585 E CB -0.823 28.880 29.700 0.006 0.000 0.741 585 E HN 0.730 nan 8.360 nan 0.000 0.458 586 A N 1.579 124.406 122.820 0.011 0.000 1.902 586 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 586 A C 2.167 179.755 177.584 0.006 0.000 1.181 586 A CA 1.787 53.829 52.037 0.009 0.000 0.623 586 A CB -0.604 18.401 19.000 0.008 0.000 0.818 586 A HN 0.514 nan 8.150 nan 0.000 0.443 587 E N 0.091 120.299 120.200 0.013 0.000 2.230 587 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 587 E C 1.722 178.335 176.600 0.022 0.000 0.987 587 E CA 0.824 57.233 56.400 0.016 0.000 0.841 587 E CB -0.327 29.392 29.700 0.032 0.000 0.783 587 E HN 0.600 nan 8.360 nan 0.000 0.481 588 K N 0.679 121.091 120.400 0.020 0.000 1.991 588 K HA -0.138 4.181 4.320 -0.000 0.000 0.212 588 K C 2.397 179.004 176.600 0.011 0.000 1.049 588 K CA 2.161 58.459 56.287 0.018 0.000 0.932 588 K CB -0.371 32.132 32.500 0.006 0.000 0.717 588 K HN 0.118 nan 8.250 nan 0.000 0.441 589 T N -0.476 114.081 114.554 0.004 0.000 2.788 589 T HA -0.089 4.260 4.350 -0.000 0.000 0.268 589 T C 1.807 176.501 174.700 -0.010 0.000 1.044 589 T CA 1.622 63.721 62.100 -0.002 0.000 1.139 589 T CB -0.346 68.522 68.868 0.000 0.000 0.867 589 T HN 0.439 nan 8.240 nan 0.000 0.454 590 G N 0.050 108.844 108.800 -0.011 0.000 2.403 590 G HA2 0.105 4.065 3.960 -0.000 0.000 0.216 590 G HA3 0.105 4.065 3.960 -0.000 0.000 0.216 590 G C 1.854 176.730 174.900 -0.041 0.000 1.154 590 G CA 0.795 45.878 45.100 -0.027 0.000 0.784 590 G HN 0.632 nan 8.290 nan 0.000 0.538 591 A N 0.966 123.773 122.820 -0.021 0.000 1.968 591 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 591 A C 2.326 179.894 177.584 -0.028 0.000 1.169 591 A CA 1.825 53.851 52.037 -0.017 0.000 0.638 591 A CB -0.355 18.669 19.000 0.040 0.000 0.812 591 A HN 0.559 nan 8.150 nan 0.000 0.446 592 Q N -0.902 118.888 119.800 -0.017 0.000 2.389 592 Q HA -0.050 4.290 4.340 -0.000 0.000 0.204 592 Q C 1.490 177.467 176.000 -0.039 0.000 0.944 592 Q CA 1.387 57.178 55.803 -0.020 0.000 0.908 592 Q CB -0.173 28.562 28.738 -0.006 0.000 1.002 592 Q HN 0.515 nan 8.270 nan 0.000 0.493 593 E N 0.982 121.154 120.200 -0.047 0.000 2.285 593 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 593 E C 1.750 178.296 176.600 -0.091 0.000 0.997 593 E CA 0.460 56.826 56.400 -0.057 0.000 0.845 593 E CB -0.010 29.662 29.700 -0.048 0.000 0.782 593 E HN 0.422 nan 8.360 nan 0.000 0.491 594 L N -0.310 120.840 121.223 -0.122 0.000 2.109 594 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 594 L C 1.698 178.462 176.870 -0.177 0.000 1.086 594 L CA 1.268 55.992 54.840 -0.193 0.000 0.760 594 L CB -0.383 41.510 42.059 -0.277 0.000 0.910 594 L HN 0.181 nan 8.230 nan 0.000 0.437 595 L N 0.256 121.404 121.223 -0.124 0.000 2.093 595 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 595 L C 2.795 179.625 176.870 -0.067 0.000 1.085 595 L CA 1.802 56.589 54.840 -0.090 0.000 0.755 595 L CB -1.287 40.744 42.059 -0.048 0.000 0.904 595 L HN 0.474 nan 8.230 nan 0.000 0.435 596 R N -0.700 119.765 120.500 -0.058 0.000 2.091 596 R HA -0.148 4.191 4.340 -0.000 0.000 0.238 596 R C 2.044 178.316 176.300 -0.046 0.000 1.136 596 R CA 1.858 57.931 56.100 -0.045 0.000 0.959 596 R CB -0.212 30.064 30.300 -0.040 0.000 0.856 596 R HN 0.230 nan 8.270 nan 0.000 0.437 597 V N 1.335 121.212 119.914 -0.062 0.000 2.515 597 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 597 V C 2.200 178.274 176.094 -0.034 0.000 1.058 597 V CA 1.373 63.644 62.300 -0.048 0.000 1.064 597 V CB -0.271 31.513 31.823 -0.065 0.000 0.675 597 V HN 0.343 nan 8.190 nan 0.000 0.461 598 L N -0.404 120.785 121.223 -0.057 0.000 2.610 598 L HA 0.138 4.478 4.340 -0.000 0.000 0.232 598 L C 1.026 177.880 176.870 -0.026 0.000 1.149 598 L CA 0.128 54.942 54.840 -0.043 0.000 0.872 598 L CB -0.122 41.890 42.059 -0.078 0.000 0.992 598 L HN 0.263 nan 8.230 nan 0.000 0.447 599 R N -0.679 119.805 120.500 -0.028 0.000 3.525 599 R HA -0.150 4.189 4.340 -0.000 0.000 0.276 599 R C -0.206 176.082 176.300 -0.019 0.000 1.116 599 R CA 0.789 56.876 56.100 -0.020 0.000 0.745 599 R CB -2.371 27.921 30.300 -0.014 0.000 1.185 599 R HN 0.371 nan 8.270 nan 0.000 0.454 600 A N -0.041 122.765 122.820 -0.023 0.000 2.437 600 A HA 0.764 5.084 4.320 -0.000 0.000 0.292 600 A C -0.831 176.738 177.584 -0.025 0.000 1.173 600 A CA -0.553 51.471 52.037 -0.022 0.000 0.785 600 A CB 1.920 20.910 19.000 -0.017 0.000 1.351 600 A HN 0.094 nan 8.150 nan 0.000 0.431 601 Q N 0.595 120.378 119.800 -0.028 0.000 2.340 601 Q HA 0.605 4.945 4.340 -0.000 0.000 0.268 601 Q C -2.656 173.323 176.000 -0.035 0.000 1.031 601 Q CA -1.862 53.924 55.803 -0.028 0.000 0.804 601 Q CB 2.223 30.945 28.738 -0.027 0.000 1.286 601 Q HN 0.604 nan 8.270 nan 0.000 0.448 602 P HA 0.248 nan 4.420 nan 0.000 0.276 602 P C -1.028 176.261 177.300 -0.019 0.000 1.261 602 P CA -0.432 62.664 63.100 -0.007 0.000 0.800 602 P CB 0.999 32.710 31.700 0.019 0.000 1.066 603 V N 1.111 121.025 119.914 -0.001 0.000 2.340 603 V HA 0.168 4.287 4.120 -0.000 0.000 0.277 603 V C 0.303 176.448 176.094 0.085 0.000 1.017 603 V CA -0.587 61.724 62.300 0.019 0.000 0.820 603 V CB 0.466 32.275 31.823 -0.023 0.000 1.028 603 V HN 0.487 nan 8.190 nan 0.000 0.436 604 Q N 2.148 121.978 119.800 0.051 0.000 2.333 604 Q HA 0.327 4.666 4.340 -0.000 0.000 0.299 604 Q C -0.379 175.641 176.000 0.034 0.000 1.067 604 Q CA 0.891 56.717 55.803 0.039 0.000 0.943 604 Q CB 1.235 29.978 28.738 0.009 0.000 1.233 604 Q HN 0.715 nan 8.270 nan 0.000 0.401 605 V N 1.989 121.897 119.914 -0.009 0.000 2.739 605 V HA 0.700 4.820 4.120 -0.000 0.000 0.293 605 V C -1.126 174.828 176.094 -0.233 0.000 1.199 605 V CA -0.151 62.105 62.300 -0.074 0.000 0.931 605 V CB 1.342 33.146 31.823 -0.032 0.000 1.052 605 V HN 0.904 nan 8.190 nan 0.000 0.441 606 A N 4.627 127.310 122.820 -0.228 0.000 2.327 606 A HA 0.598 4.918 4.320 -0.000 0.000 0.255 606 A C 0.321 177.654 177.584 -0.418 0.000 1.099 606 A CA 0.059 51.898 52.037 -0.329 0.000 0.801 606 A CB 0.411 19.293 19.000 -0.197 0.000 1.062 606 A HN 1.127 nan 8.150 nan 0.000 0.496 607 E N -0.596 119.306 120.200 -0.496 0.000 2.398 607 E HA 0.360 4.710 4.350 -0.000 0.000 0.263 607 E C 1.293 177.888 176.600 -0.009 0.000 1.046 607 E CA 0.854 57.084 56.400 -0.285 0.000 0.908 607 E CB 0.146 29.701 29.700 -0.241 0.000 0.963 607 E HN 1.402 nan 8.360 nan 0.000 0.431 608 G N 2.774 111.701 108.800 0.212 0.000 2.396 608 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.242 608 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.242 608 G C 0.226 175.221 174.900 0.159 0.000 1.069 608 G CA 0.555 45.783 45.100 0.213 0.000 0.633 608 G HN 0.861 nan 8.290 nan 0.000 0.517 609 S N 0.989 116.735 115.700 0.077 0.000 2.468 609 S HA 0.656 5.126 4.470 -0.000 0.000 0.190 609 S C -0.574 174.047 174.600 0.035 0.000 1.445 609 S CA -0.300 57.932 58.200 0.054 0.000 1.084 609 S CB 1.151 64.360 63.200 0.015 0.000 1.175 609 S HN 0.588 nan 8.310 nan 0.000 0.484 610 E N 2.319 122.573 120.200 0.090 0.000 2.256 610 E HA 0.501 4.851 4.350 -0.000 0.000 0.268 610 E C -2.771 173.906 176.600 0.128 0.000 0.877 610 E CA -2.206 54.189 56.400 -0.009 0.000 0.757 610 E CB 1.231 30.765 29.700 -0.276 0.000 1.183 610 E HN 0.283 nan 8.360 nan 0.000 0.418 611 P HA -0.011 nan 4.420 nan 0.000 0.269 611 P C -0.266 177.207 177.300 0.288 0.000 1.215 611 P CA -0.095 63.119 63.100 0.189 0.000 0.780 611 P CB 0.686 32.503 31.700 0.195 0.000 0.898 612 D N -0.266 120.309 120.400 0.292 0.000 2.370 612 D HA -0.048 4.592 4.640 -0.000 0.000 0.230 612 D C 0.867 177.322 176.300 0.259 0.000 1.143 612 D CA 0.008 54.232 54.000 0.373 0.000 0.834 612 D CB -0.199 40.756 40.800 0.258 0.000 0.944 612 D HN 0.326 nan 8.370 nan 0.000 0.504 613 S N -0.095 115.737 115.700 0.220 0.000 2.395 613 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 613 S C 1.816 176.464 174.600 0.079 0.000 1.027 613 S CA -0.222 58.087 58.200 0.180 0.000 0.965 613 S CB -0.906 62.441 63.200 0.246 0.000 0.812 613 S HN 0.269 nan 8.310 nan 0.000 0.482 614 F N 1.611 121.416 119.950 -0.242 0.000 2.043 614 F HA -0.162 4.364 4.527 -0.000 0.000 0.297 614 F C 1.946 177.476 175.800 -0.450 0.000 1.118 614 F CA 1.914 59.508 58.000 -0.676 0.000 1.202 614 F CB -0.512 38.037 39.000 -0.752 0.000 0.965 614 F HN 0.203 nan 8.300 nan 0.000 0.482 615 W N 0.645 121.959 121.300 0.023 0.000 2.436 615 W HA -0.046 4.614 4.660 -0.000 0.000 0.284 615 W C 2.374 178.823 176.519 -0.118 0.000 1.225 615 W CA 1.097 58.407 57.345 -0.058 0.000 1.271 615 W CB -0.484 29.001 29.460 0.041 0.000 1.114 615 W HN 0.040 nan 8.180 nan 0.000 0.559 616 E N 0.009 120.288 120.200 0.131 0.000 2.274 616 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 616 E C 2.224 178.815 176.600 -0.015 0.000 0.996 616 E CA 0.875 57.311 56.400 0.060 0.000 0.840 616 E CB -0.203 29.540 29.700 0.072 0.000 0.772 616 E HN 0.247 nan 8.360 nan 0.000 0.491 617 A N 0.927 123.692 122.820 -0.091 0.000 2.014 617 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 617 A C 2.031 179.510 177.584 -0.174 0.000 1.163 617 A CA 0.702 52.661 52.037 -0.130 0.000 0.652 617 A CB -0.267 18.624 19.000 -0.182 0.000 0.808 617 A HN 0.135 nan 8.150 nan 0.000 0.449 618 L N -1.415 119.670 121.223 -0.230 0.000 2.509 618 L HA 0.229 4.569 4.340 -0.000 0.000 0.222 618 L C 1.465 178.274 176.870 -0.101 0.000 1.123 618 L CA 0.490 55.202 54.840 -0.214 0.000 0.856 618 L CB -0.341 41.529 42.059 -0.314 0.000 0.985 618 L HN 0.526 nan 8.230 nan 0.000 0.456 619 G N 0.227 108.995 108.800 -0.053 0.000 2.204 619 G HA2 0.037 3.996 3.960 -0.000 0.000 0.244 619 G HA3 0.037 3.996 3.960 -0.000 0.000 0.244 619 G C 0.389 175.286 174.900 -0.004 0.000 1.062 619 G CA 0.110 45.195 45.100 -0.025 0.000 0.798 619 G HN 0.791 nan 8.290 nan 0.000 0.496 620 G N -1.010 107.810 108.800 0.034 0.000 2.240 620 G HA2 0.555 4.515 3.960 -0.000 0.000 0.199 620 G HA3 0.555 4.515 3.960 -0.000 0.000 0.199 620 G C -0.573 174.400 174.900 0.121 0.000 1.342 620 G CA 0.298 45.422 45.100 0.040 0.000 1.145 620 G HN 1.547 nan 8.290 nan 0.000 0.477 621 K N -0.617 119.806 120.400 0.037 0.000 2.578 621 K HA 0.672 4.992 4.320 -0.000 0.000 0.263 621 K C -0.608 175.935 176.600 -0.095 0.000 0.973 621 K CA 0.204 56.485 56.287 -0.011 0.000 0.909 621 K CB 1.014 33.227 32.500 -0.478 0.000 1.326 621 K HN 1.901 nan 8.250 nan 0.000 0.440 622 A N 1.980 124.771 122.820 -0.049 0.000 2.504 622 A HA 0.725 5.045 4.320 -0.000 0.000 0.285 622 A C -0.654 176.880 177.584 -0.084 0.000 1.261 622 A CA -0.719 51.276 52.037 -0.071 0.000 0.741 622 A CB 1.036 20.004 19.000 -0.053 0.000 1.327 622 A HN 0.618 nan 8.150 nan 0.000 0.441 623 T N 0.465 114.996 114.554 -0.039 0.000 2.898 623 T HA 0.201 4.550 4.350 -0.000 0.000 0.331 623 T C -0.297 174.400 174.700 -0.004 0.000 1.085 623 T CA 1.349 63.458 62.100 0.015 0.000 1.129 623 T CB -0.215 68.668 68.868 0.025 0.000 1.054 623 T HN 0.366 nan 8.240 nan 0.000 0.540 624 Y N 0.113 120.438 120.300 0.041 0.000 2.679 624 Y HA 0.521 5.071 4.550 -0.000 0.000 0.331 624 Y C 1.112 177.034 175.900 0.036 0.000 1.183 624 Y CA -1.170 56.955 58.100 0.042 0.000 1.290 624 Y CB 1.146 39.651 38.460 0.076 0.000 1.489 624 Y HN 0.270 nan 8.280 nan 0.000 0.583 625 R N 0.349 121.064 120.500 0.357 0.000 2.393 625 R HA 0.281 4.621 4.340 -0.000 0.000 0.315 625 R C -0.925 175.488 176.300 0.187 0.000 0.952 625 R CA -0.106 56.126 56.100 0.220 0.000 0.842 625 R CB 1.386 31.794 30.300 0.181 0.000 1.163 625 R HN 0.725 nan 8.270 nan 0.000 0.450 626 T N -0.415 114.201 114.554 0.104 0.000 3.174 626 T HA -0.015 4.334 4.350 -0.000 0.000 0.269 626 T C 0.665 175.400 174.700 0.058 0.000 1.017 626 T CA -0.210 61.913 62.100 0.039 0.000 0.899 626 T CB 0.176 69.033 68.868 -0.018 0.000 1.077 626 T HN 0.540 nan 8.240 nan 0.000 0.552 627 S N 2.874 118.623 115.700 0.083 0.000 2.711 627 S HA 0.141 4.611 4.470 -0.000 0.000 0.335 627 S C -2.704 171.944 174.600 0.081 0.000 1.175 627 S CA -1.151 57.096 58.200 0.077 0.000 1.372 627 S CB -0.595 62.659 63.200 0.090 0.000 1.337 627 S HN 0.108 nan 8.310 nan 0.000 0.572 628 P HA 0.136 nan 4.420 nan 0.000 0.266 628 P C 0.085 177.428 177.300 0.072 0.000 1.215 628 P CA -0.197 62.942 63.100 0.064 0.000 0.763 628 P CB 0.388 32.117 31.700 0.047 0.000 0.806 629 R N 2.523 123.073 120.500 0.082 0.000 2.537 629 R HA 0.106 4.446 4.340 -0.000 0.000 0.280 629 R C 0.081 176.430 176.300 0.082 0.000 1.058 629 R CA -0.806 55.348 56.100 0.090 0.000 1.057 629 R CB 0.096 30.455 30.300 0.098 0.000 0.973 629 R HN 0.393 nan 8.270 nan 0.000 0.438 630 L N 4.448 125.722 121.223 0.086 0.000 2.742 630 L HA -0.105 4.234 4.340 -0.000 0.000 0.275 630 L C 1.331 178.254 176.870 0.089 0.000 1.141 630 L CA 1.147 56.034 54.840 0.078 0.000 0.987 630 L CB -0.199 41.903 42.059 0.072 0.000 1.319 630 L HN 0.569 nan 8.230 nan 0.000 0.478 631 K N 2.014 122.463 120.400 0.082 0.000 2.183 631 K HA -0.018 4.302 4.320 -0.000 0.000 0.218 631 K C 0.985 177.644 176.600 0.098 0.000 1.025 631 K CA 0.606 56.948 56.287 0.092 0.000 0.944 631 K CB 0.096 32.646 32.500 0.084 0.000 0.936 631 K HN 0.636 nan 8.250 nan 0.000 0.460 632 D N 0.941 121.394 120.400 0.087 0.000 2.224 632 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 632 D C 1.123 177.462 176.300 0.065 0.000 0.965 632 D CA 1.192 55.243 54.000 0.085 0.000 0.852 632 D CB 0.227 41.071 40.800 0.073 0.000 0.947 632 D HN -0.016 nan 8.370 nan 0.000 0.494 633 K N 0.078 120.512 120.400 0.057 0.000 2.525 633 K HA 0.077 4.396 4.320 -0.000 0.000 0.192 633 K C 1.698 178.322 176.600 0.039 0.000 1.029 633 K CA 0.067 56.378 56.287 0.039 0.000 1.029 633 K CB 0.153 32.672 32.500 0.031 0.000 0.814 633 K HN 0.065 nan 8.250 nan 0.000 0.503 634 K N 0.392 120.834 120.400 0.071 0.000 2.020 634 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 634 K C 1.944 178.598 176.600 0.089 0.000 1.050 634 K CA 1.941 58.286 56.287 0.097 0.000 0.929 634 K CB -0.102 32.486 32.500 0.146 0.000 0.714 634 K HN 0.161 nan 8.250 nan 0.000 0.443 635 M N 0.772 120.436 119.600 0.107 0.000 2.149 635 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 635 M C 0.804 177.131 176.300 0.045 0.000 1.064 635 M CA 2.023 57.393 55.300 0.117 0.000 1.102 635 M CB -0.090 32.599 32.600 0.148 0.000 1.369 635 M HN 0.144 nan 8.290 nan 0.000 0.408 636 D N 0.315 120.721 120.400 0.010 0.000 2.117 636 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 636 D C 1.938 178.200 176.300 -0.062 0.000 0.982 636 D CA 1.595 55.582 54.000 -0.022 0.000 0.828 636 D CB -0.121 40.669 40.800 -0.018 0.000 0.967 636 D HN 0.480 nan 8.370 nan 0.000 0.464 637 A N -0.313 122.429 122.820 -0.130 0.000 1.968 637 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 637 A C 0.431 177.696 177.584 -0.533 0.000 1.169 637 A CA 1.093 52.926 52.037 -0.339 0.000 0.638 637 A CB -0.242 18.508 19.000 -0.416 0.000 0.812 637 A HN 0.348 nan 8.150 nan 0.000 0.446 638 H N -0.755 118.175 119.070 -0.234 0.000 2.538 638 H HA 0.247 4.803 4.556 -0.000 0.000 0.239 638 H C -2.845 172.462 175.328 -0.035 0.000 1.401 638 H CA -1.873 53.990 56.048 -0.308 0.000 1.499 638 H CB 1.041 30.349 29.762 -0.757 0.000 1.624 638 H HN 0.257 nan 8.280 nan 0.000 0.524 639 P HA 0.034 nan 4.420 nan 0.000 0.268 639 P C -2.592 174.828 177.300 0.199 0.000 1.205 639 P CA -1.271 61.900 63.100 0.119 0.000 0.771 639 P CB 0.687 32.428 31.700 0.067 0.000 0.858 640 P HA 0.187 nan 4.420 nan 0.000 0.267 640 P C -0.247 177.232 177.300 0.298 0.000 1.200 640 P CA 0.416 63.521 63.100 0.007 0.000 0.772 640 P CB 0.489 31.871 31.700 -0.530 0.000 0.855 641 R N 1.222 121.823 120.500 0.168 0.000 2.604 641 R HA 0.578 4.918 4.340 -0.000 0.000 0.281 641 R C -1.273 174.937 176.300 -0.151 0.000 1.020 641 R CA -1.021 55.123 56.100 0.074 0.000 0.899 641 R CB 1.577 31.965 30.300 0.146 0.000 1.205 641 R HN 0.293 nan 8.270 nan 0.000 0.450 642 L N 3.386 124.420 121.223 -0.316 0.000 2.296 642 L HA 0.588 4.927 4.340 -0.000 0.000 0.286 642 L C -1.595 174.985 176.870 -0.484 0.000 1.023 642 L CA -0.033 54.609 54.840 -0.331 0.000 0.812 642 L CB 0.686 42.587 42.059 -0.262 0.000 1.223 642 L HN 0.469 nan 8.230 nan 0.000 0.421 643 F N 3.357 123.264 119.950 -0.072 0.000 2.577 643 F HA 0.805 5.332 4.527 -0.000 0.000 0.318 643 F C 0.389 176.163 175.800 -0.042 0.000 1.065 643 F CA -0.640 57.322 58.000 -0.063 0.000 0.929 643 F CB 1.765 40.681 39.000 -0.141 0.000 1.237 643 F HN 0.578 nan 8.300 nan 0.000 0.468 644 A N 0.810 123.726 122.820 0.160 0.000 2.293 644 A HA 0.681 5.001 4.320 -0.000 0.000 0.302 644 A C -1.114 176.500 177.584 0.049 0.000 1.119 644 A CA -0.496 51.596 52.037 0.092 0.000 0.823 644 A CB 0.947 19.980 19.000 0.056 0.000 1.097 644 A HN 0.888 nan 8.150 nan 0.000 0.491 645 C N 1.048 120.363 119.300 0.025 0.000 2.482 645 C HA 0.805 5.265 4.460 -0.000 0.000 0.317 645 C C -0.467 174.512 174.990 -0.018 0.000 1.197 645 C CA -0.256 58.743 59.018 -0.032 0.000 1.432 645 C CB 0.873 28.643 27.740 0.051 0.000 2.062 645 C HN 0.873 nan 8.230 nan 0.000 0.471 646 S N 3.980 119.628 115.700 -0.086 0.000 2.677 646 S HA 0.351 4.821 4.470 -0.000 0.000 0.283 646 S C -0.465 174.165 174.600 0.050 0.000 1.159 646 S CA -0.604 57.587 58.200 -0.015 0.000 1.001 646 S CB 1.126 64.308 63.200 -0.030 0.000 1.032 646 S HN 0.799 nan 8.310 nan 0.000 0.487 647 N N 1.444 120.211 118.700 0.111 0.000 2.575 647 N HA 0.108 4.848 4.740 -0.000 0.000 0.275 647 N C -0.804 174.759 175.510 0.089 0.000 1.202 647 N CA -0.152 52.986 53.050 0.147 0.000 0.945 647 N CB 0.278 38.845 38.487 0.134 0.000 1.247 647 N HN 0.364 nan 8.380 nan 0.000 0.510 648 K N 1.546 121.986 120.400 0.067 0.000 2.262 648 K HA 0.249 4.569 4.320 -0.000 0.000 0.282 648 K C -0.180 176.450 176.600 0.051 0.000 1.066 648 K CA -0.538 55.779 56.287 0.050 0.000 0.901 648 K CB 0.987 33.509 32.500 0.038 0.000 1.089 648 K HN 0.123 nan 8.250 nan 0.000 0.476 649 I N 2.514 123.112 120.570 0.047 0.000 6.579 649 I HA -0.204 3.966 4.170 -0.000 0.000 0.126 649 I C 0.841 176.988 176.117 0.050 0.000 1.827 649 I CA 0.958 62.284 61.300 0.044 0.000 2.040 649 I CB -2.460 35.564 38.000 0.041 0.000 3.510 649 I HN 1.134 nan 8.210 nan 0.000 0.170 650 G N 2.667 111.498 108.800 0.052 0.000 2.439 650 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.305 650 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.305 650 G C 0.398 175.343 174.900 0.076 0.000 0.966 650 G CA 1.101 46.234 45.100 0.056 0.000 0.890 650 G HN 0.878 nan 8.290 nan 0.000 0.513 651 R N -0.955 119.602 120.500 0.095 0.000 2.473 651 R HA 0.576 4.916 4.340 -0.000 0.000 0.303 651 R C -1.187 175.205 176.300 0.154 0.000 1.002 651 R CA -1.730 54.435 56.100 0.109 0.000 0.884 651 R CB 0.200 30.543 30.300 0.072 0.000 1.173 651 R HN 0.144 nan 8.270 nan 0.000 0.464 652 F N 5.675 125.641 119.950 0.027 0.000 2.375 652 F HA 0.530 5.057 4.527 -0.000 0.000 0.362 652 F C -0.937 174.887 175.800 0.039 0.000 1.129 652 F CA -0.477 57.540 58.000 0.029 0.000 1.154 652 F CB 0.798 39.811 39.000 0.021 0.000 1.205 652 F HN 0.286 nan 8.300 nan 0.000 0.513 653 V N 8.432 128.064 119.914 -0.470 0.000 2.680 653 V HA 0.658 4.778 4.120 -0.000 0.000 0.309 653 V C -0.773 175.020 176.094 -0.502 0.000 1.052 653 V CA -0.814 61.264 62.300 -0.371 0.000 0.908 653 V CB 1.986 33.733 31.823 -0.127 0.000 1.001 653 V HN 0.602 nan 8.190 nan 0.000 0.431 654 I N 2.821 123.204 120.570 -0.313 0.000 2.436 654 I HA 0.714 4.884 4.170 -0.000 0.000 0.289 654 I C -0.576 175.581 176.117 0.066 0.000 1.010 654 I CA -0.374 60.840 61.300 -0.144 0.000 1.098 654 I CB 1.755 39.663 38.000 -0.152 0.000 1.266 654 I HN 0.677 nan 8.210 nan 0.000 0.434 655 E N 4.912 125.192 120.200 0.133 0.000 2.165 655 E HA 0.243 4.593 4.350 -0.000 0.000 0.266 655 E C -0.966 175.760 176.600 0.210 0.000 0.889 655 E CA -0.685 55.814 56.400 0.165 0.000 0.756 655 E CB 1.579 31.331 29.700 0.088 0.000 1.131 655 E HN 0.769 nan 8.360 nan 0.000 0.411 656 E N 3.254 123.565 120.200 0.186 0.000 2.344 656 E HA 0.079 4.428 4.350 -0.000 0.000 0.270 656 E C -0.780 175.754 176.600 -0.111 0.000 1.021 656 E CA -0.337 55.974 56.400 -0.149 0.000 0.887 656 E CB 1.179 30.753 29.700 -0.209 0.000 0.997 656 E HN 0.305 nan 8.360 nan 0.000 0.429 657 V N 6.843 126.659 119.914 -0.163 0.000 2.385 657 V HA 0.450 4.570 4.120 -0.000 0.000 0.269 657 V C -2.396 173.629 176.094 -0.115 0.000 1.043 657 V CA -1.689 60.569 62.300 -0.070 0.000 0.906 657 V CB 1.017 32.840 31.823 -0.000 0.000 0.995 657 V HN 0.653 nan 8.190 nan 0.000 0.467 658 P HA 0.769 nan 4.420 nan 0.000 0.283 658 P C 0.196 177.437 177.300 -0.099 0.000 1.271 658 P CA 0.662 63.689 63.100 -0.123 0.000 0.841 658 P CB 1.581 33.238 31.700 -0.072 0.000 1.122 659 G N 0.183 108.902 108.800 -0.135 0.000 2.610 659 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.304 659 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.304 659 G C -0.964 173.850 174.900 -0.143 0.000 1.309 659 G CA -0.765 44.280 45.100 -0.092 0.000 0.906 659 G HN 0.587 nan 8.290 nan 0.000 0.521 660 E N -0.321 119.803 120.200 -0.127 0.000 2.413 660 E HA 0.334 4.684 4.350 -0.000 0.000 0.263 660 E C -0.048 176.483 176.600 -0.114 0.000 1.015 660 E CA 0.015 56.310 56.400 -0.174 0.000 0.916 660 E CB 0.276 29.869 29.700 -0.178 0.000 0.947 660 E HN 0.299 nan 8.360 nan 0.000 0.440 661 F N 2.491 122.415 119.950 -0.043 0.000 2.538 661 F HA 0.137 4.664 4.527 -0.000 0.000 0.371 661 F C 0.611 176.421 175.800 0.017 0.000 1.087 661 F CA 0.129 58.014 58.000 -0.191 0.000 1.250 661 F CB 0.169 38.756 39.000 -0.688 0.000 1.110 661 F HN 0.149 nan 8.300 nan 0.000 0.570 662 M N 3.097 122.934 119.600 0.394 0.000 2.326 662 M HA 0.188 4.668 4.480 -0.000 0.000 0.292 662 M C 0.844 177.311 176.300 0.279 0.000 1.081 662 M CA -0.500 54.986 55.300 0.310 0.000 0.919 662 M CB 2.147 34.814 32.600 0.110 0.000 1.634 662 M HN 0.714 nan 8.290 nan 0.000 0.451 663 Q N 1.624 121.423 119.800 -0.002 0.000 2.152 663 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 663 Q C 0.785 176.503 176.000 -0.469 0.000 0.985 663 Q CA 2.309 57.795 55.803 -0.528 0.000 0.863 663 Q CB 0.349 28.390 28.738 -1.161 0.000 0.904 663 Q HN 0.717 nan 8.270 nan 0.000 0.422 664 E N 0.467 120.453 120.200 -0.358 0.000 2.204 664 E HA -0.173 4.176 4.350 -0.000 0.000 0.195 664 E C 1.284 178.016 176.600 0.219 0.000 0.990 664 E CA 1.340 57.695 56.400 -0.075 0.000 0.821 664 E CB 0.034 29.708 29.700 -0.042 0.000 0.750 664 E HN 0.419 nan 8.360 nan 0.000 0.477 665 D N -0.228 120.276 120.400 0.173 0.000 2.317 665 D HA -0.050 4.590 4.640 -0.000 0.000 0.211 665 D C -0.113 176.265 176.300 0.130 0.000 0.966 665 D CA 0.352 54.517 54.000 0.274 0.000 0.876 665 D CB 0.107 41.018 40.800 0.185 0.000 0.927 665 D HN 0.089 nan 8.370 nan 0.000 0.519 666 L N 1.664 122.881 121.223 -0.010 0.000 2.404 666 L HA 0.228 4.568 4.340 -0.000 0.000 0.277 666 L C 0.305 177.130 176.870 -0.076 0.000 1.184 666 L CA -0.830 53.811 54.840 -0.332 0.000 1.013 666 L CB -0.580 41.037 42.059 -0.736 0.000 1.318 666 L HN -0.171 nan 8.230 nan 0.000 0.435 667 A N 1.696 124.388 122.820 -0.213 0.000 2.450 667 A HA 0.333 4.653 4.320 -0.000 0.000 0.255 667 A C 1.464 179.115 177.584 0.112 0.000 1.096 667 A CA 0.291 52.110 52.037 -0.364 0.000 0.778 667 A CB 0.061 18.387 19.000 -1.122 0.000 1.031 667 A HN 0.794 nan 8.150 nan 0.000 0.494 668 T N -0.764 113.903 114.554 0.189 0.000 3.098 668 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 668 T C 0.545 175.264 174.700 0.031 0.000 1.145 668 T CA 1.356 63.542 62.100 0.143 0.000 1.092 668 T CB -0.271 68.615 68.868 0.031 0.000 0.908 668 T HN 0.718 nan 8.240 nan 0.000 0.526 669 D N -0.597 119.814 120.400 0.019 0.000 2.462 669 D HA 0.168 4.808 4.640 -0.000 0.000 0.221 669 D C -0.265 176.034 176.300 -0.001 0.000 1.173 669 D CA -0.453 53.543 54.000 -0.006 0.000 0.831 669 D CB 0.001 40.803 40.800 0.003 0.000 1.001 669 D HN 0.269 nan 8.370 nan 0.000 0.499 670 D N -0.025 120.399 120.400 0.041 0.000 2.340 670 D HA 0.346 4.986 4.640 -0.000 0.000 0.243 670 D C -0.549 175.835 176.300 0.140 0.000 0.988 670 D CA -0.671 53.368 54.000 0.065 0.000 0.959 670 D CB 3.222 44.038 40.800 0.027 0.000 1.226 670 D HN -0.206 nan 8.370 nan 0.000 0.509 671 V N 2.844 122.830 119.914 0.120 0.000 2.370 671 V HA 0.342 4.462 4.120 -0.000 0.000 0.283 671 V C 0.222 176.439 176.094 0.204 0.000 1.023 671 V CA -0.530 61.863 62.300 0.155 0.000 0.857 671 V CB 1.272 33.150 31.823 0.091 0.000 0.985 671 V HN 0.416 nan 8.190 nan 0.000 0.443 672 M N 5.649 125.444 119.600 0.326 0.000 2.705 672 M HA 0.646 5.125 4.480 -0.000 0.000 0.311 672 M C -0.838 175.612 176.300 0.249 0.000 1.214 672 M CA -0.638 54.822 55.300 0.267 0.000 0.920 672 M CB 1.949 34.715 32.600 0.277 0.000 1.687 672 M HN 0.337 nan 8.290 nan 0.000 0.481 673 L N 2.382 123.714 121.223 0.181 0.000 2.372 673 L HA 0.518 4.858 4.340 -0.000 0.000 0.274 673 L C -0.870 176.096 176.870 0.159 0.000 0.988 673 L CA -0.333 54.584 54.840 0.128 0.000 0.833 673 L CB 1.968 43.950 42.059 -0.128 0.000 1.236 673 L HN 0.492 nan 8.230 nan 0.000 0.410 674 L N 3.710 125.067 121.223 0.223 0.000 2.264 674 L HA 0.317 4.657 4.340 -0.000 0.000 0.287 674 L C -0.544 176.412 176.870 0.144 0.000 1.039 674 L CA -0.199 54.687 54.840 0.076 0.000 0.829 674 L CB 1.086 43.163 42.059 0.030 0.000 1.211 674 L HN 0.592 nan 8.230 nan 0.000 0.427 675 D N 3.479 123.938 120.400 0.099 0.000 2.524 675 D HA 0.121 4.760 4.640 -0.000 0.000 0.222 675 D C 0.319 176.685 176.300 0.111 0.000 1.142 675 D CA -0.154 53.945 54.000 0.164 0.000 0.973 675 D CB 0.581 41.582 40.800 0.335 0.000 1.025 675 D HN 0.352 nan 8.370 nan 0.000 0.519 676 T N 1.802 116.381 114.554 0.042 0.000 2.788 676 T HA -0.149 4.200 4.350 -0.000 0.000 0.333 676 T C 1.157 175.970 174.700 0.188 0.000 1.090 676 T CA -0.130 62.005 62.100 0.059 0.000 1.094 676 T CB 0.653 69.635 68.868 0.189 0.000 0.999 676 T HN 0.500 nan 8.240 nan 0.000 0.549 677 W N 1.239 122.557 121.300 0.029 0.000 2.481 677 W HA -0.080 4.580 4.660 -0.000 0.000 0.293 677 W C 1.309 177.812 176.519 -0.026 0.000 1.201 677 W CA 0.742 58.072 57.345 -0.026 0.000 1.328 677 W CB 0.003 29.419 29.460 -0.073 0.000 1.112 677 W HN 0.735 nan 8.180 nan 0.000 0.546 678 D N 0.014 120.506 120.400 0.153 0.000 2.265 678 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 678 D C 0.711 176.974 176.300 -0.060 0.000 0.977 678 D CA 1.332 55.366 54.000 0.057 0.000 0.871 678 D CB 0.226 41.108 40.800 0.136 0.000 0.925 678 D HN 0.267 nan 8.370 nan 0.000 0.485 679 Q N -0.647 119.103 119.800 -0.083 0.000 2.594 679 Q HA 0.310 4.649 4.340 -0.000 0.000 0.278 679 Q C -2.190 173.719 176.000 -0.153 0.000 0.961 679 Q CA -0.475 55.233 55.803 -0.158 0.000 0.844 679 Q CB 2.261 30.875 28.738 -0.207 0.000 1.475 679 Q HN -0.193 nan 8.270 nan 0.000 0.389 680 V N 3.637 123.444 119.914 -0.177 0.000 2.349 680 V HA 0.432 4.552 4.120 -0.000 0.000 0.284 680 V C -0.733 175.305 176.094 -0.093 0.000 1.014 680 V CA -0.477 61.786 62.300 -0.062 0.000 0.826 680 V CB 0.609 32.442 31.823 0.017 0.000 1.009 680 V HN 0.598 nan 8.190 nan 0.000 0.431 681 F N 3.627 123.654 119.950 0.129 0.000 2.471 681 F HA 0.405 4.932 4.527 -0.000 0.000 0.353 681 F C 0.448 176.346 175.800 0.163 0.000 1.113 681 F CA -0.006 58.108 58.000 0.190 0.000 1.262 681 F CB 1.297 40.540 39.000 0.406 0.000 1.146 681 F HN 0.322 nan 8.300 nan 0.000 0.578 682 V N 5.058 125.157 119.914 0.310 0.000 2.376 682 V HA 0.368 4.487 4.120 -0.000 0.000 0.287 682 V C -1.562 174.665 176.094 0.222 0.000 1.015 682 V CA -0.825 61.615 62.300 0.232 0.000 0.834 682 V CB 0.681 32.577 31.823 0.121 0.000 1.001 682 V HN 0.773 nan 8.190 nan 0.000 0.428 683 W N 7.399 128.732 121.300 0.056 0.000 2.332 683 W HA 0.633 5.293 4.660 -0.000 0.000 0.306 683 W C -0.446 176.051 176.519 -0.036 0.000 1.149 683 W CA -0.652 56.649 57.345 -0.073 0.000 1.271 683 W CB 1.650 31.083 29.460 -0.046 0.000 1.243 683 W HN 0.682 nan 8.180 nan 0.000 0.459 684 V N 7.279 126.884 119.914 -0.515 0.000 2.370 684 V HA 0.801 4.921 4.120 -0.000 0.000 0.283 684 V C 0.312 175.861 176.094 -0.907 0.000 1.023 684 V CA -0.490 61.534 62.300 -0.459 0.000 0.857 684 V CB 0.671 32.344 31.823 -0.251 0.000 0.985 684 V HN 0.742 nan 8.190 nan 0.000 0.443 685 G N 4.160 112.533 108.800 -0.712 0.000 2.403 685 G HA2 0.215 4.175 3.960 -0.000 0.000 0.259 685 G HA3 0.215 4.175 3.960 -0.000 0.000 0.259 685 G C 0.467 175.134 174.900 -0.388 0.000 1.244 685 G CA 0.051 44.752 45.100 -0.665 0.000 0.849 685 G HN 1.127 nan 8.290 nan 0.000 0.532 686 K N 0.910 121.085 120.400 -0.376 0.000 2.059 686 K HA -0.160 4.160 4.320 -0.000 0.000 0.212 686 K C 0.708 177.221 176.600 -0.146 0.000 1.050 686 K CA 1.779 57.926 56.287 -0.233 0.000 0.927 686 K CB 0.019 32.391 32.500 -0.213 0.000 0.714 686 K HN 0.457 nan 8.250 nan 0.000 0.447 687 D N 1.295 121.626 120.400 -0.115 0.000 2.352 687 D HA 0.011 4.651 4.640 -0.000 0.000 0.236 687 D C -0.034 176.237 176.300 -0.049 0.000 1.148 687 D CA 0.143 54.105 54.000 -0.062 0.000 0.844 687 D CB 0.270 41.051 40.800 -0.031 0.000 0.933 687 D HN 0.252 nan 8.370 nan 0.000 0.507 688 S N -0.580 115.078 115.700 -0.069 0.000 2.617 688 S HA 0.199 4.669 4.470 -0.000 0.000 0.269 688 S C 0.337 174.915 174.600 -0.036 0.000 1.292 688 S CA -0.867 57.307 58.200 -0.044 0.000 1.010 688 S CB 2.042 65.211 63.200 -0.051 0.000 0.944 688 S HN 0.138 nan 8.310 nan 0.000 0.536 689 Q N -0.230 119.560 119.800 -0.017 0.000 2.395 689 Q HA 0.049 4.389 4.340 -0.000 0.000 0.271 689 Q C -0.023 175.965 176.000 -0.020 0.000 1.026 689 Q CA -0.059 55.736 55.803 -0.013 0.000 0.900 689 Q CB 0.442 29.180 28.738 0.001 0.000 1.266 689 Q HN 0.748 nan 8.270 nan 0.000 0.430 690 D N 1.642 122.030 120.400 -0.020 0.000 2.178 690 D HA -0.183 4.457 4.640 -0.000 0.000 0.202 690 D C 1.510 177.798 176.300 -0.020 0.000 0.974 690 D CA 1.578 55.562 54.000 -0.026 0.000 0.841 690 D CB 0.178 40.963 40.800 -0.025 0.000 0.953 690 D HN 0.742 nan 8.370 nan 0.000 0.478 691 E N 0.797 120.991 120.200 -0.009 0.000 2.110 691 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 691 E C 1.682 178.283 176.600 0.002 0.000 0.988 691 E CA 0.966 57.364 56.400 -0.004 0.000 0.804 691 E CB -0.331 29.371 29.700 0.004 0.000 0.745 691 E HN 0.293 nan 8.360 nan 0.000 0.458 692 E N 1.247 121.451 120.200 0.007 0.000 2.106 692 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 692 E C 2.061 178.665 176.600 0.006 0.000 0.984 692 E CA 1.574 57.986 56.400 0.020 0.000 0.806 692 E CB -0.006 29.708 29.700 0.024 0.000 0.750 692 E HN 0.436 nan 8.360 nan 0.000 0.458 693 K N -0.283 120.106 120.400 -0.019 0.000 2.426 693 K HA 0.107 4.426 4.320 -0.000 0.000 0.193 693 K C 1.624 178.201 176.600 -0.039 0.000 1.028 693 K CA 0.813 57.077 56.287 -0.039 0.000 1.047 693 K CB 0.367 32.824 32.500 -0.071 0.000 0.821 693 K HN -0.155 nan 8.250 nan 0.000 0.513 694 T N 1.454 115.991 114.554 -0.029 0.000 2.937 694 T HA 0.021 4.371 4.350 -0.000 0.000 0.260 694 T C 0.956 175.641 174.700 -0.024 0.000 1.051 694 T CA 0.740 62.822 62.100 -0.030 0.000 1.141 694 T CB 0.064 68.916 68.868 -0.027 0.000 0.879 694 T HN 0.240 nan 8.240 nan 0.000 0.459 695 E N 1.271 121.462 120.200 -0.014 0.000 2.403 695 E HA 0.298 4.648 4.350 -0.000 0.000 0.187 695 E C 1.866 178.465 176.600 -0.002 0.000 1.073 695 E CA -0.104 56.289 56.400 -0.012 0.000 0.888 695 E CB -0.044 29.656 29.700 -0.001 0.000 1.035 695 E HN 0.443 nan 8.360 nan 0.000 0.471 696 A N 1.004 123.822 122.820 -0.003 0.000 1.865 696 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 696 A C 2.234 179.822 177.584 0.007 0.000 1.191 696 A CA 1.040 53.083 52.037 0.010 0.000 0.623 696 A CB -0.590 18.405 19.000 -0.007 0.000 0.826 696 A HN 0.279 nan 8.150 nan 0.000 0.444 697 L N -0.618 120.597 121.223 -0.014 0.000 2.012 697 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 697 L C 2.844 179.690 176.870 -0.040 0.000 1.073 697 L CA 1.922 56.748 54.840 -0.024 0.000 0.748 697 L CB -0.733 41.306 42.059 -0.032 0.000 0.891 697 L HN 0.420 nan 8.230 nan 0.000 0.431 698 T N -1.508 113.014 114.554 -0.053 0.000 2.788 698 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 698 T C 2.091 176.706 174.700 -0.141 0.000 1.044 698 T CA 1.524 63.567 62.100 -0.094 0.000 1.139 698 T CB -0.128 68.684 68.868 -0.094 0.000 0.867 698 T HN 0.261 nan 8.240 nan 0.000 0.454 699 S N 1.387 117.041 115.700 -0.077 0.000 2.355 699 S HA 0.031 4.501 4.470 -0.000 0.000 0.222 699 S C 2.645 177.272 174.600 0.046 0.000 1.031 699 S CA 0.861 59.040 58.200 -0.035 0.000 0.993 699 S CB -0.583 62.731 63.200 0.190 0.000 0.859 699 S HN 0.600 nan 8.310 nan 0.000 0.453 700 A N 1.614 124.469 122.820 0.058 0.000 1.940 700 A HA -0.166 4.153 4.320 -0.000 0.000 0.219 700 A C 2.058 179.681 177.584 0.065 0.000 1.176 700 A CA 1.692 53.781 52.037 0.087 0.000 0.631 700 A CB -0.441 18.585 19.000 0.044 0.000 0.814 700 A HN 0.430 nan 8.150 nan 0.000 0.446 701 K N -0.908 119.469 120.400 -0.037 0.000 2.025 701 K HA -0.061 4.258 4.320 -0.000 0.000 0.207 701 K C 2.393 178.915 176.600 -0.129 0.000 1.049 701 K CA 1.226 57.460 56.287 -0.089 0.000 0.933 701 K CB -0.170 32.262 32.500 -0.113 0.000 0.714 701 K HN 0.361 nan 8.250 nan 0.000 0.438 702 R N -0.358 120.010 120.500 -0.220 0.000 2.083 702 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 702 R C 2.312 178.543 176.300 -0.115 0.000 1.137 702 R CA 1.964 57.856 56.100 -0.346 0.000 0.951 702 R CB -0.448 29.270 30.300 -0.971 0.000 0.851 702 R HN 0.336 nan 8.270 nan 0.000 0.434 703 Y N 0.969 121.238 120.300 -0.052 0.000 2.128 703 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 703 Y C 2.023 177.864 175.900 -0.098 0.000 1.154 703 Y CA 1.661 59.785 58.100 0.039 0.000 1.149 703 Y CB -0.178 38.298 38.460 0.026 0.000 0.976 703 Y HN -0.025 nan 8.280 nan 0.000 0.505 704 I N 0.247 120.673 120.570 -0.240 0.000 2.252 704 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 704 I C 1.695 177.610 176.117 -0.336 0.000 1.102 704 I CA 1.502 62.578 61.300 -0.373 0.000 1.385 704 I CB -0.340 37.535 38.000 -0.207 0.000 1.064 704 I HN 0.236 nan 8.210 nan 0.000 0.414 705 D N -0.148 120.108 120.400 -0.241 0.000 2.224 705 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 705 D C 2.089 178.246 176.300 -0.238 0.000 0.965 705 D CA 1.167 55.038 54.000 -0.214 0.000 0.852 705 D CB -0.100 40.601 40.800 -0.165 0.000 0.947 705 D HN 0.201 nan 8.370 nan 0.000 0.494 706 T N 0.317 114.734 114.554 -0.228 0.000 3.067 706 T HA -0.063 4.286 4.350 -0.000 0.000 0.261 706 T C 0.518 175.061 174.700 -0.262 0.000 1.110 706 T CA -0.033 61.958 62.100 -0.182 0.000 1.113 706 T CB 0.099 68.939 68.868 -0.046 0.000 0.917 706 T HN 0.044 nan 8.240 nan 0.000 0.499 707 D N 1.697 121.865 120.400 -0.386 0.000 2.450 707 D HA 0.020 4.660 4.640 -0.000 0.000 0.247 707 D C -1.659 174.420 176.300 -0.368 0.000 1.162 707 D CA -1.609 52.149 54.000 -0.404 0.000 0.879 707 D CB 1.648 42.153 40.800 -0.491 0.000 1.163 707 D HN 0.056 nan 8.370 nan 0.000 0.472 708 P HA -0.151 nan 4.420 nan 0.000 0.218 708 P C 0.777 177.848 177.300 -0.383 0.000 1.146 708 P CA 1.080 63.951 63.100 -0.383 0.000 0.813 708 P CB 0.168 31.509 31.700 -0.597 0.000 0.778 709 A N -1.562 121.063 122.820 -0.324 0.000 2.216 709 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 709 A C 0.463 178.044 177.584 -0.004 0.000 1.160 709 A CA 0.479 52.428 52.037 -0.146 0.000 0.725 709 A CB -1.346 17.691 19.000 0.062 0.000 0.784 709 A HN 0.292 nan 8.150 nan 0.000 0.472 710 H N -0.319 118.646 119.070 -0.175 0.000 2.680 710 H HA -0.135 4.421 4.556 -0.000 0.000 0.328 710 H C 0.177 175.436 175.328 -0.115 0.000 1.139 710 H CA 1.186 57.148 56.048 -0.143 0.000 1.124 710 H CB -1.035 28.646 29.762 -0.135 0.000 1.584 710 H HN 0.858 nan 8.280 nan 0.000 0.410 711 R N -0.140 120.298 120.500 -0.103 0.000 2.607 711 R HA 0.342 4.682 4.340 -0.000 0.000 0.261 711 R C -0.046 176.156 176.300 -0.163 0.000 1.051 711 R CA -0.966 55.053 56.100 -0.134 0.000 1.110 711 R CB 1.149 31.260 30.300 -0.316 0.000 1.158 711 R HN -0.003 nan 8.270 nan 0.000 0.543 712 D N 0.953 121.251 120.400 -0.169 0.000 2.479 712 D HA -0.057 4.583 4.640 -0.000 0.000 0.257 712 D C 0.535 176.730 176.300 -0.175 0.000 1.230 712 D CA 0.409 54.323 54.000 -0.144 0.000 0.912 712 D CB 0.633 41.353 40.800 -0.134 0.000 1.130 712 D HN 0.427 nan 8.370 nan 0.000 0.515 713 R N 2.790 123.208 120.500 -0.137 0.000 2.328 713 R HA -0.031 4.309 4.340 -0.000 0.000 0.207 713 R C 1.455 177.674 176.300 -0.135 0.000 1.056 713 R CA 0.561 56.578 56.100 -0.138 0.000 1.016 713 R CB 0.321 30.554 30.300 -0.112 0.000 0.872 713 R HN 0.344 nan 8.270 nan 0.000 0.471 714 R N -0.402 120.018 120.500 -0.133 0.000 2.300 714 R HA 0.079 4.419 4.340 -0.000 0.000 0.199 714 R C 0.167 176.383 176.300 -0.140 0.000 0.920 714 R CA 0.073 56.093 56.100 -0.134 0.000 1.046 714 R CB 0.374 30.600 30.300 -0.123 0.000 0.984 714 R HN -0.020 nan 8.270 nan 0.000 0.493 715 T N 4.447 118.903 114.554 -0.163 0.000 2.849 715 T HA -0.005 4.345 4.350 -0.000 0.000 0.289 715 T C -2.237 172.377 174.700 -0.143 0.000 1.010 715 T CA -0.469 61.523 62.100 -0.180 0.000 1.161 715 T CB 0.483 69.197 68.868 -0.257 0.000 0.989 715 T HN 0.077 nan 8.240 nan 0.000 0.523 716 P HA 0.300 nan 4.420 nan 0.000 0.271 716 P C -0.514 176.718 177.300 -0.113 0.000 1.216 716 P CA -0.141 62.903 63.100 -0.094 0.000 0.771 716 P CB 0.479 32.142 31.700 -0.062 0.000 0.864 717 I N 2.261 122.779 120.570 -0.088 0.000 2.441 717 I HA 0.330 4.500 4.170 -0.000 0.000 0.295 717 I C 0.154 176.220 176.117 -0.085 0.000 0.994 717 I CA -0.290 60.959 61.300 -0.086 0.000 1.144 717 I CB 1.889 39.857 38.000 -0.053 0.000 1.314 717 I HN 0.164 nan 8.210 nan 0.000 0.445 718 T N 5.073 119.558 114.554 -0.115 0.000 2.930 718 T HA 0.329 4.679 4.350 -0.000 0.000 0.313 718 T C -0.332 174.387 174.700 0.030 0.000 1.019 718 T CA -0.440 61.608 62.100 -0.087 0.000 1.004 718 T CB 1.323 70.045 68.868 -0.245 0.000 0.987 718 T HN 0.152 nan 8.240 nan 0.000 0.456 719 V N 4.221 124.144 119.914 0.015 0.000 2.432 719 V HA 0.443 4.563 4.120 -0.000 0.000 0.271 719 V C 0.183 176.281 176.094 0.006 0.000 1.046 719 V CA -0.480 61.830 62.300 0.017 0.000 0.945 719 V CB 1.132 32.943 31.823 -0.021 0.000 0.992 719 V HN 0.632 nan 8.190 nan 0.000 0.471 720 V N 5.114 125.019 119.914 -0.015 0.000 2.680 720 V HA 0.551 4.670 4.120 -0.000 0.000 0.309 720 V C -0.239 175.702 176.094 -0.255 0.000 1.052 720 V CA -0.963 61.280 62.300 -0.094 0.000 0.908 720 V CB 2.388 34.131 31.823 -0.133 0.000 1.001 720 V HN 0.842 nan 8.190 nan 0.000 0.431 721 K N 2.265 122.529 120.400 -0.227 0.000 2.221 721 K HA 0.444 4.764 4.320 -0.000 0.000 0.258 721 K C -0.324 176.077 176.600 -0.332 0.000 0.944 721 K CA -0.499 55.602 56.287 -0.311 0.000 0.823 721 K CB 1.578 33.998 32.500 -0.133 0.000 1.113 721 K HN 0.746 nan 8.250 nan 0.000 0.431 722 Q N 1.300 120.692 119.800 -0.681 0.000 2.304 722 Q HA 0.051 4.391 4.340 -0.000 0.000 0.315 722 Q C 0.629 176.467 176.000 -0.271 0.000 1.075 722 Q CA 1.632 57.071 55.803 -0.606 0.000 0.988 722 Q CB 0.042 28.249 28.738 -0.884 0.000 1.146 722 Q HN 0.816 nan 8.270 nan 0.000 0.383 723 G N 3.322 112.030 108.800 -0.154 0.000 2.205 723 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.261 723 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.261 723 G C 0.066 174.611 174.900 -0.591 0.000 0.980 723 G CA 0.265 45.197 45.100 -0.280 0.000 0.632 723 G HN 0.651 nan 8.290 nan 0.000 0.533 724 F N 1.251 121.246 119.950 0.075 0.000 2.733 724 F HA 0.429 4.956 4.527 -0.000 0.000 0.380 724 F C 0.372 176.198 175.800 0.043 0.000 1.324 724 F CA -0.769 57.266 58.000 0.058 0.000 1.178 724 F CB 0.757 39.755 39.000 -0.004 0.000 1.093 724 F HN -0.003 nan 8.300 nan 0.000 0.512 725 E N 3.373 123.657 120.200 0.140 0.000 2.360 725 E HA 0.166 4.516 4.350 -0.000 0.000 0.269 725 E C -2.189 174.427 176.600 0.028 0.000 1.022 725 E CA -1.630 54.763 56.400 -0.011 0.000 0.887 725 E CB 0.252 29.895 29.700 -0.094 0.000 0.990 725 E HN 0.014 nan 8.360 nan 0.000 0.426 726 P HA 0.107 nan 4.420 nan 0.000 0.276 726 P C -2.226 174.977 177.300 -0.163 0.000 1.261 726 P CA -1.621 61.437 63.100 -0.070 0.000 0.800 726 P CB 0.583 32.182 31.700 -0.168 0.000 1.066 727 P HA -0.157 nan 4.420 nan 0.000 0.216 727 P C 1.674 178.809 177.300 -0.275 0.000 1.150 727 P CA 1.906 64.790 63.100 -0.360 0.000 0.837 727 P CB -0.442 30.850 31.700 -0.681 0.000 0.786 728 S N -2.413 113.175 115.700 -0.187 0.000 2.507 728 S HA -0.108 4.361 4.470 -0.000 0.000 0.235 728 S C 1.705 176.266 174.600 -0.066 0.000 0.988 728 S CA 0.424 58.591 58.200 -0.054 0.000 0.944 728 S CB -1.407 61.880 63.200 0.144 0.000 0.762 728 S HN 0.090 nan 8.310 nan 0.000 0.526 729 F N 2.569 122.286 119.950 -0.389 0.000 2.243 729 F HA 0.150 4.677 4.527 -0.000 0.000 0.287 729 F C 2.211 177.881 175.800 -0.216 0.000 1.067 729 F CA 0.945 58.617 58.000 -0.546 0.000 1.304 729 F CB -0.188 38.390 39.000 -0.704 0.000 1.087 729 F HN 0.108 nan 8.300 nan 0.000 0.513 730 V N -0.728 119.044 119.914 -0.238 0.000 2.759 730 V HA 0.047 4.167 4.120 -0.000 0.000 0.256 730 V C 2.210 178.210 176.094 -0.157 0.000 1.080 730 V CA 1.761 63.743 62.300 -0.531 0.000 1.101 730 V CB -1.826 29.301 31.823 -1.159 0.000 0.698 730 V HN 0.384 nan 8.190 nan 0.000 0.477 731 G N -0.790 107.882 108.800 -0.213 0.000 2.498 731 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 731 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 731 G C 1.079 175.818 174.900 -0.268 0.000 1.119 731 G CA 0.496 45.452 45.100 -0.241 0.000 0.766 731 G HN 0.723 nan 8.290 nan 0.000 0.552 732 W N -0.755 120.487 121.300 -0.097 0.000 3.139 732 W HA 0.412 5.072 4.660 -0.000 0.000 0.260 732 W C -0.146 176.287 176.519 -0.142 0.000 1.312 732 W CA -0.868 56.384 57.345 -0.155 0.000 1.606 732 W CB 0.249 29.466 29.460 -0.405 0.000 1.118 732 W HN -0.066 nan 8.180 nan 0.000 0.675 733 F N 0.567 120.634 119.950 0.195 0.000 2.332 733 F HA 0.217 4.743 4.527 -0.000 0.000 0.368 733 F C 1.066 176.994 175.800 0.214 0.000 1.110 733 F CA -0.945 57.211 58.000 0.259 0.000 1.087 733 F CB 0.694 39.912 39.000 0.364 0.000 1.235 733 F HN -0.303 nan 8.300 nan 0.000 0.470 734 L N 3.084 124.490 121.223 0.305 0.000 1.990 734 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 734 L C 2.083 179.067 176.870 0.190 0.000 1.072 734 L CA 2.052 57.017 54.840 0.208 0.000 0.755 734 L CB -0.523 41.649 42.059 0.189 0.000 0.889 734 L HN 0.744 nan 8.230 nan 0.000 0.432 735 G N -1.655 107.248 108.800 0.173 0.000 3.782 735 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.288 735 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.288 735 G C -0.163 174.777 174.900 0.066 0.000 1.300 735 G CA -0.522 44.632 45.100 0.090 0.000 1.261 735 G HN 0.260 nan 8.290 nan 0.000 0.591 736 W N 1.568 122.871 121.300 0.006 0.000 2.264 736 W HA 0.291 4.951 4.660 -0.000 0.000 0.331 736 W C -1.180 175.305 176.519 -0.057 0.000 1.364 736 W CA 0.280 57.593 57.345 -0.054 0.000 1.253 736 W CB 1.014 30.474 29.460 -0.001 0.000 1.215 736 W HN 0.176 nan 8.180 nan 0.000 0.561 737 D N 4.238 124.301 120.400 -0.560 0.000 2.549 737 D HA 0.102 4.742 4.640 -0.000 0.000 0.251 737 D C 0.642 176.763 176.300 -0.298 0.000 1.153 737 D CA -0.366 53.464 54.000 -0.284 0.000 0.861 737 D CB 1.156 41.802 40.800 -0.257 0.000 1.207 737 D HN 0.240 nan 8.370 nan 0.000 0.543 738 D N 1.459 121.884 120.400 0.041 0.000 2.178 738 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 738 D C 1.115 177.462 176.300 0.079 0.000 0.980 738 D CA 0.945 55.041 54.000 0.161 0.000 0.842 738 D CB 0.310 41.226 40.800 0.193 0.000 0.948 738 D HN 0.350 nan 8.370 nan 0.000 0.472 739 S N -0.439 115.267 115.700 0.010 0.000 2.575 739 S HA -0.035 4.435 4.470 -0.000 0.000 0.215 739 S C 1.589 176.151 174.600 -0.063 0.000 0.966 739 S CA -0.461 57.738 58.200 -0.001 0.000 0.911 739 S CB -0.246 62.949 63.200 -0.009 0.000 0.780 739 S HN 0.319 nan 8.310 nan 0.000 0.514 740 Y N 1.704 121.807 120.300 -0.328 0.000 2.139 740 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 740 Y C 1.690 177.332 175.900 -0.430 0.000 1.179 740 Y CA 1.885 59.668 58.100 -0.529 0.000 1.161 740 Y CB -0.126 37.737 38.460 -0.995 0.000 0.970 740 Y HN 0.321 nan 8.280 nan 0.000 0.511 741 W N -0.269 120.967 121.300 -0.106 0.000 3.077 741 W HA 0.026 4.686 4.660 -0.000 0.000 0.266 741 W C 2.736 179.186 176.519 -0.114 0.000 1.300 741 W CA 1.065 58.326 57.345 -0.139 0.000 1.586 741 W CB -1.002 28.457 29.460 -0.001 0.000 1.103 741 W HN 0.313 nan 8.180 nan 0.000 0.652 742 S N 0.683 116.436 115.700 0.089 0.000 2.402 742 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 742 S C 0.847 175.443 174.600 -0.006 0.000 1.030 742 S CA 1.347 59.571 58.200 0.039 0.000 1.003 742 S CB -0.809 62.402 63.200 0.018 0.000 0.813 742 S HN -0.057 nan 8.310 nan 0.000 0.477 743 V N 2.099 121.973 119.914 -0.066 0.000 2.444 743 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 743 V C -0.749 175.269 176.094 -0.127 0.000 1.022 743 V CA -0.948 61.303 62.300 -0.083 0.000 0.850 743 V CB 0.962 32.730 31.823 -0.092 0.000 0.992 743 V HN 0.441 nan 8.190 nan 0.000 0.426 744 D N 8.891 129.251 120.400 -0.066 0.000 2.662 744 D HA 0.042 4.682 4.640 -0.000 0.000 0.233 744 D C -1.196 175.026 176.300 -0.129 0.000 1.129 744 D CA -0.206 53.763 54.000 -0.052 0.000 0.851 744 D CB 1.391 42.184 40.800 -0.013 0.000 1.152 744 D HN 0.461 nan 8.370 nan 0.000 0.507 745 P HA -0.160 nan 4.420 nan 0.000 0.218 745 P C 1.529 178.749 177.300 -0.133 0.000 1.149 745 P CA 0.374 63.294 63.100 -0.300 0.000 0.817 745 P CB 0.088 31.582 31.700 -0.344 0.000 0.785 746 L N 0.963 122.149 121.223 -0.062 0.000 2.027 746 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 746 L C 1.625 178.460 176.870 -0.058 0.000 1.074 746 L CA 2.116 56.928 54.840 -0.046 0.000 0.745 746 L CB -1.610 40.439 42.059 -0.016 0.000 0.898 746 L HN -0.201 nan 8.230 nan 0.000 0.433 747 D N -0.676 119.689 120.400 -0.059 0.000 2.178 747 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 747 D C 2.258 178.517 176.300 -0.069 0.000 0.980 747 D CA 0.955 54.920 54.000 -0.059 0.000 0.842 747 D CB -0.163 40.606 40.800 -0.051 0.000 0.948 747 D HN 0.377 nan 8.370 nan 0.000 0.472 748 R N 0.582 121.029 120.500 -0.088 0.000 2.073 748 R HA -0.014 4.326 4.340 -0.000 0.000 0.229 748 R C 2.064 178.319 176.300 -0.074 0.000 1.120 748 R CA 1.173 57.219 56.100 -0.089 0.000 0.967 748 R CB -0.084 30.142 30.300 -0.125 0.000 0.862 748 R HN 0.090 nan 8.270 nan 0.000 0.436 749 A N 1.012 123.788 122.820 -0.074 0.000 1.902 749 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 749 A C 1.983 179.531 177.584 -0.060 0.000 1.181 749 A CA 1.011 53.011 52.037 -0.062 0.000 0.623 749 A CB -0.418 18.546 19.000 -0.061 0.000 0.818 749 A HN 0.274 nan 8.150 nan 0.000 0.443 750 L N -0.661 120.524 121.223 -0.063 0.000 2.201 750 L HA 0.028 4.368 4.340 -0.000 0.000 0.212 750 L C 2.492 179.323 176.870 -0.065 0.000 1.105 750 L CA 1.519 56.320 54.840 -0.066 0.000 0.775 750 L CB -0.687 41.331 42.059 -0.068 0.000 0.913 750 L HN 0.368 nan 8.230 nan 0.000 0.440 751 A N -1.583 121.201 122.820 -0.060 0.000 2.291 751 A HA 0.045 4.365 4.320 -0.000 0.000 0.220 751 A C 1.678 179.232 177.584 -0.051 0.000 1.262 751 A CA 0.463 52.468 52.037 -0.055 0.000 0.867 751 A CB -0.426 18.542 19.000 -0.052 0.000 0.888 751 A HN 0.514 nan 8.150 nan 0.000 0.487 752 E N -1.319 118.849 120.200 -0.052 0.000 2.441 752 E HA 0.119 4.469 4.350 -0.000 0.000 0.212 752 E C 1.008 177.578 176.600 -0.049 0.000 0.840 752 E CA -0.240 56.131 56.400 -0.048 0.000 1.143 752 E CB 0.168 29.840 29.700 -0.047 0.000 1.153 752 E HN 0.359 nan 8.360 nan 0.000 0.539 753 L N 0.448 121.638 121.223 -0.055 0.000 2.127 753 L HA 0.159 4.499 4.340 -0.000 0.000 0.203 753 L C 1.664 178.498 176.870 -0.061 0.000 1.080 753 L CA 1.242 56.047 54.840 -0.058 0.000 0.768 753 L CB -0.626 41.397 42.059 -0.062 0.000 0.924 753 L HN 0.013 nan 8.230 nan 0.000 0.444 754 A N -0.854 121.927 122.820 -0.065 0.000 3.012 754 A HA 0.688 5.007 4.320 -0.000 0.000 0.295 754 A C 0.536 178.090 177.584 -0.050 0.000 1.338 754 A CA 0.330 52.329 52.037 -0.063 0.000 0.981 754 A CB -0.448 18.503 19.000 -0.081 0.000 1.091 754 A HN 0.247 nan 8.150 nan 0.000 0.602 755 A N 0.000 122.793 122.820 -0.045 0.000 2.254 755 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 755 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 755 A CB 0.000 18.976 19.000 -0.041 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486