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 1d0n_1_A 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 TEDTVKEDAA 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 0.000 176.023 176.094 -0.118 0.000 1.182 27 V CA 0.000 62.252 62.300 -0.081 0.000 1.235 27 V CB 0.000 31.759 31.823 -0.107 0.000 1.184 28 E N 1.898 122.019 120.200 -0.132 0.000 3.343 28 E HA -0.418 3.933 4.350 0.003 0.000 0.281 28 E C 0.306 176.629 176.600 -0.461 0.000 0.914 28 E CA 1.743 58.014 56.400 -0.216 0.000 0.884 28 E CB -1.748 27.904 29.700 -0.080 0.000 1.445 28 E HN 1.127 nan 8.360 nan 0.000 0.468 29 H N -1.184 117.597 119.070 -0.482 0.000 4.409 29 H HA -0.060 4.497 4.556 0.003 0.000 0.326 29 H C -1.845 173.224 175.328 -0.432 0.000 0.765 29 H CA 0.535 56.244 56.048 -0.564 0.000 0.927 29 H CB -0.518 28.657 29.762 -0.977 0.000 1.163 29 H HN 0.065 nan 8.280 nan 0.000 0.335 30 P HA -0.190 nan 4.420 nan 0.000 0.217 30 P C 1.239 178.602 177.300 0.106 0.000 1.151 30 P CA 1.454 64.527 63.100 -0.044 0.000 0.849 30 P CB 0.350 31.987 31.700 -0.104 0.000 0.787 31 E N -0.997 119.362 120.200 0.266 0.000 2.150 31 E HA -0.095 4.256 4.350 0.003 0.000 0.193 31 E C 1.992 178.655 176.600 0.106 0.000 0.985 31 E CA 0.680 57.167 56.400 0.145 0.000 0.814 31 E CB -0.791 28.822 29.700 -0.145 0.000 0.752 31 E HN 0.271 nan 8.360 nan 0.000 0.466 32 F N 1.027 120.776 119.950 -0.335 0.000 2.161 32 F HA -0.136 4.393 4.527 0.003 0.000 0.300 32 F C 2.264 177.853 175.800 -0.352 0.000 1.089 32 F CA 0.697 58.379 58.000 -0.529 0.000 1.282 32 F CB -0.914 37.539 39.000 -0.911 0.000 1.010 32 F HN -0.000 nan 8.300 nan 0.000 0.485 33 L N -0.625 120.601 121.223 0.005 0.000 2.456 33 L HA -0.162 4.179 4.340 0.003 0.000 0.224 33 L C 1.777 178.738 176.870 0.152 0.000 1.148 33 L CA 1.119 56.023 54.840 0.107 0.000 0.825 33 L CB -0.544 41.568 42.059 0.088 0.000 0.937 33 L HN 0.147 nan 8.230 nan 0.000 0.450 34 K N 0.019 120.520 120.400 0.169 0.000 2.354 34 K HA 0.247 4.568 4.320 0.003 0.000 0.194 34 K C 0.839 177.580 176.600 0.234 0.000 1.045 34 K CA -0.034 56.371 56.287 0.198 0.000 1.026 34 K CB 0.512 33.152 32.500 0.233 0.000 0.866 34 K HN 0.122 nan 8.250 nan 0.000 0.530 35 A N 1.285 124.253 122.820 0.247 0.000 2.450 35 A HA 0.428 4.749 4.320 0.003 0.000 0.255 35 A C 1.047 178.729 177.584 0.164 0.000 1.096 35 A CA 0.551 52.741 52.037 0.256 0.000 0.778 35 A CB -0.470 18.596 19.000 0.111 0.000 1.031 35 A HN 0.474 nan 8.150 nan 0.000 0.494 36 G N 2.188 111.100 108.800 0.186 0.000 2.283 36 G HA2 -0.251 3.710 3.960 0.003 0.000 0.280 36 G HA3 -0.251 3.710 3.960 0.003 0.000 0.280 36 G C 0.736 175.804 174.900 0.280 0.000 1.029 36 G CA 0.647 45.905 45.100 0.264 0.000 0.840 36 G HN 0.716 nan 8.290 nan 0.000 0.505 37 K N 0.156 120.668 120.400 0.187 0.000 2.305 37 K HA 0.091 4.413 4.320 0.003 0.000 0.199 37 K C 1.265 177.932 176.600 0.113 0.000 1.047 37 K CA 1.627 58.004 56.287 0.148 0.000 0.976 37 K CB 0.235 32.807 32.500 0.121 0.000 0.765 37 K HN 0.951 nan 8.250 nan 0.000 0.474 38 E N -0.400 119.860 120.200 0.101 0.000 2.423 38 E HA 0.334 4.686 4.350 0.003 0.000 0.280 38 E C -3.053 173.569 176.600 0.037 0.000 1.030 38 E CA -2.281 54.152 56.400 0.054 0.000 0.812 38 E CB 0.996 30.716 29.700 0.033 0.000 1.313 38 E HN -0.308 nan 8.360 nan 0.000 0.456 39 P HA 0.257 nan 4.420 nan 0.000 0.262 39 P C -0.233 177.052 177.300 -0.026 0.000 1.182 39 P CA 1.050 64.136 63.100 -0.023 0.000 0.761 39 P CB 0.528 32.206 31.700 -0.038 0.000 0.795 40 G N 1.500 110.274 108.800 -0.043 0.000 2.343 40 G HA2 0.349 4.311 3.960 0.003 0.000 0.289 40 G HA3 0.349 4.311 3.960 0.003 0.000 0.289 40 G C -2.488 172.345 174.900 -0.112 0.000 1.295 40 G CA -0.700 44.361 45.100 -0.066 0.000 0.869 40 G HN 0.581 nan 8.290 nan 0.000 0.522 41 L N 0.109 121.259 121.223 -0.122 0.000 2.362 41 L HA 0.817 5.159 4.340 0.003 0.000 0.275 41 L C -0.320 176.452 176.870 -0.164 0.000 0.998 41 L CA -0.423 54.289 54.840 -0.212 0.000 0.820 41 L CB 1.810 43.696 42.059 -0.288 0.000 1.270 41 L HN 0.684 nan 8.230 nan 0.000 0.415 42 Q N 5.247 124.870 119.800 -0.295 0.000 2.375 42 Q HA 0.728 5.069 4.340 0.003 0.000 0.271 42 Q C -1.449 174.139 176.000 -0.686 0.000 1.074 42 Q CA -0.541 54.960 55.803 -0.504 0.000 0.808 42 Q CB 3.049 31.420 28.738 -0.611 0.000 1.327 42 Q HN 0.599 nan 8.270 nan 0.000 0.441 43 I N 1.368 121.427 120.570 -0.852 0.000 2.569 43 I HA 0.479 4.650 4.170 0.003 0.000 0.290 43 I C -1.116 174.780 176.117 -0.368 0.000 1.088 43 I CA -0.708 60.282 61.300 -0.515 0.000 1.047 43 I CB 1.643 39.253 38.000 -0.650 0.000 1.237 43 I HN 0.427 nan 8.210 nan 0.000 0.421 44 W N 4.662 126.052 121.300 0.151 0.000 2.864 44 W HA 0.540 5.202 4.660 0.003 0.000 0.343 44 W C -0.327 176.317 176.519 0.209 0.000 1.109 44 W CA -0.753 56.676 57.345 0.140 0.000 1.192 44 W CB 2.422 31.901 29.460 0.031 0.000 1.426 44 W HN 0.325 nan 8.180 nan 0.000 0.529 45 R N 1.321 122.017 120.500 0.327 0.000 2.460 45 R HA 0.528 4.870 4.340 0.003 0.000 0.303 45 R C -1.064 175.274 176.300 0.064 0.000 0.968 45 R CA -0.459 55.614 56.100 -0.045 0.000 0.889 45 R CB 1.792 32.010 30.300 -0.137 0.000 1.123 45 R HN 0.295 nan 8.270 nan 0.000 0.455 46 V N 4.546 124.494 119.914 0.057 0.000 2.455 46 V HA 0.159 4.281 4.120 0.003 0.000 0.273 46 V C -0.182 175.991 176.094 0.133 0.000 1.045 46 V CA 0.104 62.505 62.300 0.169 0.000 0.976 46 V CB 1.051 33.047 31.823 0.288 0.000 0.993 46 V HN 0.778 nan 8.190 nan 0.000 0.475 47 E N 4.813 125.106 120.200 0.154 0.000 2.235 47 E HA 0.396 4.748 4.350 0.003 0.000 0.252 47 E C -0.666 176.026 176.600 0.155 0.000 0.886 47 E CA -0.868 55.603 56.400 0.119 0.000 0.767 47 E CB 1.312 31.063 29.700 0.086 0.000 1.205 47 E HN 0.589 nan 8.360 nan 0.000 0.421 48 K N 2.269 122.760 120.400 0.151 0.000 3.419 48 K HA -0.234 4.087 4.320 0.003 0.000 0.272 48 K C -0.312 176.469 176.600 0.302 0.000 0.973 48 K CA 0.613 57.001 56.287 0.168 0.000 0.749 48 K CB -1.576 30.991 32.500 0.111 0.000 1.403 48 K HN 0.859 nan 8.250 nan 0.000 0.456 49 F N -1.048 118.985 119.950 0.139 0.000 3.039 49 F HA -0.316 4.212 4.527 0.002 0.000 0.287 49 F C -0.049 175.957 175.800 0.343 0.000 0.956 49 F CA 0.532 58.650 58.000 0.197 0.000 0.971 49 F CB -0.236 38.804 39.000 0.067 0.000 0.943 49 F HN 0.496 nan 8.300 nan 0.000 0.766 50 D N 1.270 121.943 120.400 0.456 0.000 2.655 50 D HA 0.520 5.162 4.640 0.003 0.000 0.229 50 D C -1.069 175.266 176.300 0.058 0.000 1.229 50 D CA -0.367 53.783 54.000 0.250 0.000 0.807 50 D CB 1.667 42.558 40.800 0.153 0.000 1.514 50 D HN 0.164 nan 8.370 nan 0.000 0.444 51 L N 1.948 123.065 121.223 -0.177 0.000 2.265 51 L HA 0.569 4.910 4.340 0.003 0.000 0.289 51 L C -0.599 176.311 176.870 0.068 0.000 1.033 51 L CA -0.937 53.731 54.840 -0.286 0.000 0.814 51 L CB 1.486 42.997 42.059 -0.914 0.000 1.203 51 L HN 0.136 nan 8.230 nan 0.000 0.423 52 V N 4.615 124.661 119.914 0.221 0.000 2.378 52 V HA 0.334 4.455 4.120 0.003 0.000 0.288 52 V C -2.181 174.134 176.094 0.368 0.000 1.016 52 V CA -2.082 60.385 62.300 0.279 0.000 0.840 52 V CB 1.583 33.519 31.823 0.189 0.000 0.994 52 V HN 0.567 nan 8.190 nan 0.000 0.431 53 P HA 0.023 nan 4.420 nan 0.000 0.264 53 P C -0.354 177.012 177.300 0.111 0.000 1.183 53 P CA 0.337 63.514 63.100 0.129 0.000 0.763 53 P CB 0.458 32.216 31.700 0.096 0.000 0.807 54 V N 7.006 126.961 119.914 0.068 0.000 2.509 54 V HA 0.242 4.363 4.120 0.003 0.000 0.284 54 V C -1.936 174.192 176.094 0.056 0.000 1.047 54 V CA -1.896 60.443 62.300 0.066 0.000 0.952 54 V CB 1.046 32.861 31.823 -0.012 0.000 0.988 54 V HN 0.512 nan 8.190 nan 0.000 0.469 55 P HA 0.121 nan 4.420 nan 0.000 0.263 55 P C -2.078 175.028 177.300 -0.323 0.000 1.195 55 P CA -0.881 62.150 63.100 -0.115 0.000 0.762 55 P CB 0.174 31.832 31.700 -0.070 0.000 0.799 56 P HA -0.238 nan 4.420 nan 0.000 0.217 56 P C 1.015 177.829 177.300 -0.811 0.000 1.151 56 P CA 1.516 63.957 63.100 -1.098 0.000 0.849 56 P CB -0.316 31.000 31.700 -0.640 0.000 0.787 57 N N -0.490 117.958 118.700 -0.421 0.000 2.550 57 N HA -0.081 4.660 4.740 0.003 0.000 0.186 57 N C 1.163 176.535 175.510 -0.229 0.000 1.110 57 N CA 0.871 53.756 53.050 -0.276 0.000 0.912 57 N CB -0.744 37.635 38.487 -0.180 0.000 0.968 57 N HN 0.279 nan 8.380 nan 0.000 0.448 58 L N -0.211 120.863 121.223 -0.249 0.000 2.693 58 L HA 0.235 4.577 4.340 0.003 0.000 0.235 58 L C -0.134 176.625 176.870 -0.186 0.000 1.127 58 L CA -0.455 54.268 54.840 -0.196 0.000 0.914 58 L CB -0.177 41.776 42.059 -0.178 0.000 1.193 58 L HN -0.097 nan 8.230 nan 0.000 0.502 59 Y N 1.385 121.513 120.300 -0.287 0.000 2.717 59 Y HA 0.215 4.766 4.550 0.002 0.000 0.330 59 Y C 1.507 177.209 175.900 -0.331 0.000 1.217 59 Y CA 0.688 58.611 58.100 -0.294 0.000 1.506 59 Y CB 0.114 38.519 38.460 -0.092 0.000 1.268 59 Y HN 0.258 nan 8.280 nan 0.000 0.561 60 G N 2.291 110.741 108.800 -0.583 0.000 2.253 60 G HA2 -0.202 3.760 3.960 0.003 0.000 0.209 60 G HA3 -0.202 3.760 3.960 0.003 0.000 0.209 60 G C -0.381 174.039 174.900 -0.801 0.000 0.997 60 G CA -0.292 44.351 45.100 -0.763 0.000 0.640 60 G HN 0.512 nan 8.290 nan 0.000 0.496 61 D N 0.603 120.503 120.400 -0.833 0.000 2.232 61 D HA 0.670 5.312 4.640 0.003 0.000 0.242 61 D C -0.561 175.160 176.300 -0.965 0.000 1.093 61 D CA 0.232 53.849 54.000 -0.638 0.000 0.845 61 D CB 0.795 41.370 40.800 -0.374 0.000 1.124 61 D HN 0.110 nan 8.370 nan 0.000 0.467 62 F N 1.478 121.173 119.950 -0.424 0.000 2.547 62 F HA 0.377 4.905 4.527 0.002 0.000 0.316 62 F C -0.152 175.596 175.800 -0.087 0.000 1.121 62 F CA -1.014 56.652 58.000 -0.557 0.000 0.911 62 F CB 1.082 39.277 39.000 -1.341 0.000 1.179 62 F HN 0.151 nan 8.300 nan 0.000 0.443 63 F N 1.958 122.214 119.950 0.510 0.000 2.467 63 F HA 0.133 4.662 4.527 0.003 0.000 0.362 63 F C 1.720 177.830 175.800 0.516 0.000 1.090 63 F CA 0.187 58.432 58.000 0.409 0.000 1.202 63 F CB 1.059 40.248 39.000 0.315 0.000 1.113 63 F HN 0.563 nan 8.300 nan 0.000 0.541 64 T N 2.468 117.353 114.554 0.551 0.000 2.869 64 T HA -0.152 4.200 4.350 0.003 0.000 0.270 64 T C 1.800 176.702 174.700 0.337 0.000 1.082 64 T CA 1.573 63.924 62.100 0.417 0.000 1.123 64 T CB -0.243 68.777 68.868 0.254 0.000 0.856 64 T HN 0.844 nan 8.240 nan 0.000 0.499 65 G N 0.434 109.449 108.800 0.358 0.000 3.605 65 G HA2 0.254 4.216 3.960 0.003 0.000 0.277 65 G HA3 0.254 4.216 3.960 0.003 0.000 0.277 65 G C -0.432 174.626 174.900 0.262 0.000 1.093 65 G CA -0.343 44.905 45.100 0.247 0.000 0.821 65 G HN 0.269 nan 8.290 nan 0.000 0.532 66 D N -0.304 120.345 120.400 0.415 0.000 2.497 66 D HA 0.725 5.367 4.640 0.003 0.000 0.243 66 D C -0.380 176.217 176.300 0.494 0.000 1.039 66 D CA -0.286 53.938 54.000 0.373 0.000 1.052 66 D CB 2.097 43.101 40.800 0.340 0.000 1.344 66 D HN 0.110 nan 8.370 nan 0.000 0.553 67 A N 0.359 123.391 122.820 0.352 0.000 2.386 67 A HA 0.709 5.031 4.320 0.003 0.000 0.311 67 A C -1.655 176.186 177.584 0.429 0.000 1.068 67 A CA -0.485 51.839 52.037 0.479 0.000 0.743 67 A CB 0.901 20.100 19.000 0.333 0.000 1.258 67 A HN 0.442 nan 8.150 nan 0.000 0.429 68 Y N -0.197 120.455 120.300 0.587 0.000 2.605 68 Y HA 0.621 5.173 4.550 0.003 0.000 0.343 68 Y C -0.174 176.044 175.900 0.530 0.000 1.036 68 Y CA -1.015 57.415 58.100 0.549 0.000 1.065 68 Y CB 2.350 41.174 38.460 0.606 0.000 1.288 68 Y HN 0.416 nan 8.280 nan 0.000 0.481 69 V N 3.494 123.809 119.914 0.669 0.000 2.444 69 V HA 0.471 4.593 4.120 0.003 0.000 0.294 69 V C -1.057 175.416 176.094 0.633 0.000 1.022 69 V CA -0.643 62.011 62.300 0.589 0.000 0.850 69 V CB 1.465 33.535 31.823 0.412 0.000 0.992 69 V HN 0.462 nan 8.190 nan 0.000 0.426 70 I N 6.081 127.000 120.570 0.582 0.000 2.410 70 I HA 0.483 4.654 4.170 0.003 0.000 0.286 70 I C -0.697 175.686 176.117 0.443 0.000 1.009 70 I CA -0.374 61.197 61.300 0.451 0.000 1.111 70 I CB 1.719 40.014 38.000 0.492 0.000 1.262 70 I HN 0.430 nan 8.210 nan 0.000 0.443 71 L N 7.199 128.611 121.223 0.314 0.000 2.305 71 L HA 0.648 4.990 4.340 0.003 0.000 0.284 71 L C -0.541 176.394 176.870 0.108 0.000 1.013 71 L CA -0.591 54.424 54.840 0.292 0.000 0.819 71 L CB 0.958 43.227 42.059 0.351 0.000 1.227 71 L HN 0.486 nan 8.230 nan 0.000 0.417 72 K N 3.072 123.546 120.400 0.123 0.000 2.265 72 K HA 0.612 4.933 4.320 0.003 0.000 0.267 72 K C -1.059 175.588 176.600 0.078 0.000 0.994 72 K CA -0.131 56.113 56.287 -0.071 0.000 0.860 72 K CB 1.259 33.591 32.500 -0.280 0.000 1.099 72 K HN 0.679 nan 8.250 nan 0.000 0.448 73 T N 3.578 118.153 114.554 0.035 0.000 2.771 73 T HA 0.502 4.854 4.350 0.003 0.000 0.281 73 T C -0.968 173.693 174.700 -0.065 0.000 0.982 73 T CA -0.624 61.503 62.100 0.046 0.000 0.978 73 T CB 1.154 70.104 68.868 0.136 0.000 0.930 73 T HN 0.312 nan 8.240 nan 0.000 0.447 74 V N 3.254 123.085 119.914 -0.139 0.000 2.769 74 V HA 0.453 4.574 4.120 0.003 0.000 0.312 74 V C -0.182 175.807 176.094 -0.175 0.000 1.061 74 V CA -0.971 61.241 62.300 -0.147 0.000 0.931 74 V CB 2.107 33.828 31.823 -0.170 0.000 1.010 74 V HN 0.807 nan 8.190 nan 0.000 0.433 75 Q N 3.252 122.974 119.800 -0.130 0.000 2.303 75 Q HA 0.539 4.881 4.340 0.003 0.000 0.257 75 Q C -0.860 175.067 176.000 -0.121 0.000 0.941 75 Q CA -0.430 55.301 55.803 -0.120 0.000 0.931 75 Q CB 1.076 29.766 28.738 -0.080 0.000 1.215 75 Q HN 0.649 nan 8.270 nan 0.000 0.437 76 L N 3.224 124.371 121.223 -0.128 0.000 2.476 76 L HA 0.174 4.515 4.340 0.003 0.000 0.255 76 L C 1.625 178.449 176.870 -0.077 0.000 1.218 76 L CA -0.154 54.620 54.840 -0.110 0.000 0.819 76 L CB 0.317 42.315 42.059 -0.102 0.000 1.119 76 L HN 0.746 nan 8.230 nan 0.000 0.485 77 R N 0.738 121.200 120.500 -0.062 0.000 2.152 77 R HA -0.130 4.212 4.340 0.003 0.000 0.232 77 R C 1.178 177.458 176.300 -0.034 0.000 1.117 77 R CA 1.379 57.453 56.100 -0.044 0.000 0.981 77 R CB -0.384 29.896 30.300 -0.034 0.000 0.870 77 R HN 0.681 nan 8.270 nan 0.000 0.451 78 N N -0.376 118.304 118.700 -0.033 0.000 2.370 78 N HA 0.049 4.790 4.740 0.003 0.000 0.198 78 N C 0.954 176.447 175.510 -0.029 0.000 1.156 78 N CA 0.757 53.792 53.050 -0.025 0.000 0.839 78 N CB 0.682 39.158 38.487 -0.019 0.000 0.989 78 N HN 0.247 nan 8.380 nan 0.000 0.468 79 G N -0.537 108.240 108.800 -0.038 0.000 2.253 79 G HA2 -0.256 3.706 3.960 0.003 0.000 0.251 79 G HA3 -0.256 3.706 3.960 0.003 0.000 0.251 79 G C 0.031 174.902 174.900 -0.049 0.000 0.998 79 G CA 0.222 45.299 45.100 -0.038 0.000 0.621 79 G HN 0.283 nan 8.290 nan 0.000 0.524 80 I N 1.426 121.962 120.570 -0.056 0.000 3.060 80 I HA 0.320 4.492 4.170 0.003 0.000 0.285 80 I C 1.266 177.308 176.117 -0.124 0.000 1.190 80 I CA -0.244 61.013 61.300 -0.072 0.000 1.363 80 I CB 0.464 38.427 38.000 -0.062 0.000 1.396 80 I HN 0.067 nan 8.210 nan 0.000 0.607 81 L N 3.680 124.797 121.223 -0.176 0.000 2.309 81 L HA 0.405 4.746 4.340 0.003 0.000 0.282 81 L C 0.091 176.633 176.870 -0.546 0.000 1.036 81 L CA -0.475 54.162 54.840 -0.338 0.000 0.806 81 L CB 1.336 43.187 42.059 -0.347 0.000 1.220 81 L HN 0.590 nan 8.230 nan 0.000 0.429 82 Q N 2.498 121.961 119.800 -0.562 0.000 2.309 82 Q HA 0.449 4.790 4.340 0.003 0.000 0.264 82 Q C -1.968 173.707 176.000 -0.541 0.000 1.008 82 Q CA -0.632 54.880 55.803 -0.485 0.000 0.853 82 Q CB 1.877 30.418 28.738 -0.329 0.000 1.314 82 Q HN 0.517 nan 8.270 nan 0.000 0.448 83 Y N 1.464 121.784 120.300 0.033 0.000 2.361 83 Y HA 0.370 4.922 4.550 0.003 0.000 0.337 83 Y C -0.624 175.366 175.900 0.149 0.000 0.965 83 Y CA -1.020 57.127 58.100 0.078 0.000 1.091 83 Y CB 1.998 40.499 38.460 0.069 0.000 1.182 83 Y HN 0.506 nan 8.280 nan 0.000 0.450 84 D N 4.403 125.029 120.400 0.376 0.000 2.425 84 D HA 0.328 4.969 4.640 0.003 0.000 0.240 84 D C -1.033 175.533 176.300 0.445 0.000 1.080 84 D CA -0.253 54.004 54.000 0.429 0.000 0.836 84 D CB 2.239 43.392 40.800 0.588 0.000 1.125 84 D HN 0.468 nan 8.370 nan 0.000 0.525 85 L N 4.025 125.430 121.223 0.304 0.000 2.280 85 L HA 0.310 4.652 4.340 0.003 0.000 0.287 85 L C -0.265 176.828 176.870 0.372 0.000 1.023 85 L CA -0.497 54.543 54.840 0.333 0.000 0.819 85 L CB 0.797 42.963 42.059 0.178 0.000 1.212 85 L HN 0.330 nan 8.230 nan 0.000 0.420 86 H N 4.022 123.388 119.070 0.494 0.000 2.572 86 H HA 0.362 4.920 4.556 0.002 0.000 0.359 86 H C -1.415 174.224 175.328 0.518 0.000 1.134 86 H CA -0.712 55.639 56.048 0.505 0.000 1.187 86 H CB 2.160 32.216 29.762 0.490 0.000 1.597 86 H HN 0.520 nan 8.280 nan 0.000 0.524 87 Y N -0.360 120.158 120.300 0.364 0.000 2.409 87 Y HA 0.394 4.945 4.550 0.003 0.000 0.343 87 Y C -1.280 174.786 175.900 0.277 0.000 0.973 87 Y CA -1.401 56.901 58.100 0.336 0.000 1.064 87 Y CB 1.513 40.128 38.460 0.259 0.000 1.207 87 Y HN 0.603 nan 8.280 nan 0.000 0.452 88 W N 6.435 127.806 121.300 0.119 0.000 2.573 88 W HA 0.741 5.402 4.660 0.003 0.000 0.326 88 W C -2.072 174.451 176.519 0.006 0.000 1.049 88 W CA -1.187 56.080 57.345 -0.130 0.000 1.220 88 W CB 1.475 30.778 29.460 -0.262 0.000 1.373 88 W HN 0.612 nan 8.180 nan 0.000 0.507 89 L N 6.696 127.475 121.223 -0.740 0.000 2.325 89 L HA 0.617 4.959 4.340 0.003 0.000 0.281 89 L C 0.819 176.993 176.870 -1.161 0.000 1.004 89 L CA -1.043 53.436 54.840 -0.601 0.000 0.823 89 L CB 1.254 43.082 42.059 -0.384 0.000 1.236 89 L HN 0.626 nan 8.230 nan 0.000 0.415 90 G N 1.318 109.690 108.800 -0.714 0.000 2.572 90 G HA2 0.117 4.078 3.960 0.003 0.000 0.261 90 G HA3 0.117 4.078 3.960 0.003 0.000 0.261 90 G C 0.359 175.087 174.900 -0.286 0.000 1.197 90 G CA -0.409 44.370 45.100 -0.534 0.000 0.870 90 G HN 0.839 nan 8.290 nan 0.000 0.548 91 N N -0.295 118.288 118.700 -0.195 0.000 2.244 91 N HA -0.085 4.656 4.740 0.003 0.000 0.183 91 N C 0.860 176.349 175.510 -0.034 0.000 1.016 91 N CA 0.601 53.587 53.050 -0.108 0.000 0.866 91 N CB 0.247 38.695 38.487 -0.064 0.000 0.980 91 N HN 0.403 nan 8.380 nan 0.000 0.430 92 E N 0.356 120.567 120.200 0.017 0.000 2.437 92 E HA 0.060 4.411 4.350 0.003 0.000 0.195 92 E C -0.478 176.159 176.600 0.061 0.000 1.029 92 E CA -0.132 56.298 56.400 0.050 0.000 0.948 92 E CB -0.322 29.430 29.700 0.087 0.000 1.082 92 E HN 0.230 nan 8.360 nan 0.000 0.456 93 C N 2.182 121.506 119.300 0.039 0.000 2.452 93 C HA 0.400 4.861 4.460 0.003 0.000 0.379 93 C C 1.635 176.643 174.990 0.030 0.000 1.275 93 C CA -0.308 58.744 59.018 0.056 0.000 2.056 93 C CB -0.165 27.604 27.740 0.048 0.000 2.506 93 C HN 0.518 nan 8.230 nan 0.000 0.560 94 S N 4.188 119.911 115.700 0.039 0.000 2.484 94 S HA 0.099 4.571 4.470 0.003 0.000 0.256 94 S C 0.873 175.480 174.600 0.013 0.000 1.223 94 S CA 0.245 58.457 58.200 0.020 0.000 1.002 94 S CB 0.252 63.463 63.200 0.018 0.000 1.043 94 S HN 0.921 nan 8.310 nan 0.000 0.517 95 Q N -0.367 119.433 119.800 -0.000 0.000 2.396 95 Q HA 0.062 4.403 4.340 0.003 0.000 0.220 95 Q C 0.963 176.947 176.000 -0.026 0.000 0.900 95 Q CA 0.823 56.620 55.803 -0.010 0.000 0.925 95 Q CB -0.352 28.375 28.738 -0.019 0.000 1.065 95 Q HN 0.759 nan 8.270 nan 0.000 0.535 96 D N 0.610 120.991 120.400 -0.032 0.000 2.183 96 D HA -0.105 4.536 4.640 0.003 0.000 0.203 96 D C 1.619 177.885 176.300 -0.056 0.000 0.969 96 D CA 0.856 54.815 54.000 -0.068 0.000 0.842 96 D CB 0.396 41.160 40.800 -0.060 0.000 0.957 96 D HN 0.206 nan 8.370 nan 0.000 0.484 97 E N 0.002 120.207 120.200 0.007 0.000 2.076 97 E HA -0.080 4.272 4.350 0.003 0.000 0.190 97 E C 2.218 178.876 176.600 0.098 0.000 0.979 97 E CA 0.894 57.331 56.400 0.063 0.000 0.807 97 E CB -0.411 29.343 29.700 0.090 0.000 0.761 97 E HN 0.312 nan 8.360 nan 0.000 0.454 98 S N 0.314 116.067 115.700 0.088 0.000 2.423 98 S HA -0.039 4.433 4.470 0.003 0.000 0.231 98 S C 2.169 176.828 174.600 0.099 0.000 1.014 98 S CA 1.025 59.306 58.200 0.136 0.000 0.965 98 S CB -0.569 62.691 63.200 0.100 0.000 0.785 98 S HN 0.261 nan 8.310 nan 0.000 0.495 99 G N 1.734 110.537 108.800 0.004 0.000 2.404 99 G HA2 0.102 4.064 3.960 0.003 0.000 0.215 99 G HA3 0.102 4.064 3.960 0.003 0.000 0.215 99 G C 1.704 176.521 174.900 -0.138 0.000 1.174 99 G CA 0.684 45.739 45.100 -0.075 0.000 0.780 99 G HN 0.743 nan 8.290 nan 0.000 0.537 100 A N 1.169 123.895 122.820 -0.158 0.000 1.940 100 A HA 0.183 4.504 4.320 0.003 0.000 0.219 100 A C 2.784 180.394 177.584 0.045 0.000 1.176 100 A CA 2.388 54.313 52.037 -0.187 0.000 0.631 100 A CB -0.735 18.263 19.000 -0.004 0.000 0.814 100 A HN 0.778 nan 8.150 nan 0.000 0.446 101 A N -0.182 122.737 122.820 0.164 0.000 1.873 101 A HA 0.184 4.505 4.320 0.003 0.000 0.215 101 A C 2.537 180.092 177.584 -0.048 0.000 1.186 101 A CA 2.079 54.266 52.037 0.249 0.000 0.616 101 A CB -1.108 18.122 19.000 0.384 0.000 0.823 101 A HN 1.102 nan 8.150 nan 0.000 0.442 102 A N -0.137 122.535 122.820 -0.246 0.000 1.933 102 A HA -0.095 4.226 4.320 0.003 0.000 0.218 102 A C 2.113 179.532 177.584 -0.274 0.000 1.175 102 A CA 1.552 53.270 52.037 -0.531 0.000 0.628 102 A CB -0.642 18.179 19.000 -0.298 0.000 0.814 102 A HN 0.509 nan 8.150 nan 0.000 0.444 103 I N -1.848 118.612 120.570 -0.183 0.000 2.226 103 I HA -0.259 3.913 4.170 0.003 0.000 0.245 103 I C 2.291 178.357 176.117 -0.085 0.000 1.100 103 I CA 1.448 62.651 61.300 -0.162 0.000 1.374 103 I CB -0.361 37.498 38.000 -0.235 0.000 1.057 103 I HN 0.364 nan 8.210 nan 0.000 0.413 104 F N 0.562 120.536 119.950 0.039 0.000 2.186 104 F HA -0.198 4.331 4.527 0.003 0.000 0.299 104 F C 2.691 178.456 175.800 -0.059 0.000 1.090 104 F CA 1.302 59.329 58.000 0.045 0.000 1.307 104 F CB -0.525 38.499 39.000 0.039 0.000 1.019 104 F HN -0.002 nan 8.300 nan 0.000 0.489 105 T N -0.253 114.342 114.554 0.067 0.000 2.708 105 T HA -0.172 4.180 4.350 0.003 0.000 0.266 105 T C 2.132 176.805 174.700 -0.044 0.000 1.037 105 T CA 1.375 63.459 62.100 -0.027 0.000 1.146 105 T CB -0.608 68.161 68.868 -0.165 0.000 0.865 105 T HN 0.008 nan 8.240 nan 0.000 0.435 106 V N 1.737 121.618 119.914 -0.055 0.000 2.261 106 V HA -0.219 3.902 4.120 0.003 0.000 0.246 106 V C 2.622 178.721 176.094 0.008 0.000 1.047 106 V CA 1.765 64.044 62.300 -0.034 0.000 1.015 106 V CB -0.667 31.130 31.823 -0.044 0.000 0.642 106 V HN 0.546 nan 8.190 nan 0.000 0.446 107 Q N -0.793 119.047 119.800 0.066 0.000 2.230 107 Q HA -0.083 4.259 4.340 0.003 0.000 0.202 107 Q C 2.252 178.323 176.000 0.119 0.000 0.963 107 Q CA 1.123 57.021 55.803 0.159 0.000 0.866 107 Q CB -0.094 28.806 28.738 0.270 0.000 0.931 107 Q HN 0.556 nan 8.270 nan 0.000 0.452 108 L N 0.629 121.782 121.223 -0.116 0.000 2.131 108 L HA -0.154 4.188 4.340 0.003 0.000 0.206 108 L C 1.910 178.636 176.870 -0.240 0.000 1.087 108 L CA 1.229 55.742 54.840 -0.544 0.000 0.767 108 L CB -0.036 41.633 42.059 -0.649 0.000 0.917 108 L HN 0.212 nan 8.230 nan 0.000 0.441 109 D N -0.353 119.976 120.400 -0.119 0.000 2.144 109 D HA -0.276 4.365 4.640 0.003 0.000 0.200 109 D C 1.804 178.078 176.300 -0.043 0.000 0.978 109 D CA 1.345 55.299 54.000 -0.076 0.000 0.833 109 D CB 0.084 40.858 40.800 -0.044 0.000 0.961 109 D HN 0.262 nan 8.370 nan 0.000 0.470 110 D N -1.134 119.266 120.400 -0.001 0.000 2.117 110 D HA -0.235 4.406 4.640 0.003 0.000 0.197 110 D C 1.812 178.139 176.300 0.045 0.000 0.987 110 D CA 0.882 54.899 54.000 0.028 0.000 0.829 110 D CB -0.559 40.280 40.800 0.066 0.000 0.961 110 D HN 0.365 nan 8.370 nan 0.000 0.460 111 Y N 0.551 120.827 120.300 -0.040 0.000 2.333 111 Y HA -0.002 4.550 4.550 0.002 0.000 0.290 111 Y C 1.444 177.296 175.900 -0.080 0.000 1.144 111 Y CA 1.190 59.279 58.100 -0.019 0.000 1.228 111 Y CB -0.030 38.432 38.460 0.004 0.000 0.985 111 Y HN 0.009 nan 8.280 nan 0.000 0.542 112 L N 1.065 122.204 121.223 -0.140 0.000 2.728 112 L HA 0.083 4.425 4.340 0.003 0.000 0.235 112 L C 0.044 176.847 176.870 -0.113 0.000 1.197 112 L CA 0.133 54.840 54.840 -0.222 0.000 0.992 112 L CB -0.479 41.370 42.059 -0.351 0.000 1.263 112 L HN 0.238 nan 8.230 nan 0.000 0.484 113 N N 0.387 119.024 118.700 -0.105 0.000 2.780 113 N HA -0.167 4.574 4.740 0.003 0.000 0.248 113 N C 0.950 176.444 175.510 -0.025 0.000 1.102 113 N CA 0.874 53.891 53.050 -0.056 0.000 0.697 113 N CB -1.561 36.900 38.487 -0.043 0.000 1.028 113 N HN 0.578 nan 8.380 nan 0.000 0.554 114 G N 0.661 109.445 108.800 -0.027 0.000 2.422 114 G HA2 -0.360 3.602 3.960 0.003 0.000 0.301 114 G HA3 -0.360 3.602 3.960 0.003 0.000 0.301 114 G C 0.795 175.688 174.900 -0.012 0.000 0.981 114 G CA 1.108 46.194 45.100 -0.024 0.000 0.994 114 G HN 0.884 nan 8.290 nan 0.000 0.514 115 R N -1.510 119.008 120.500 0.030 0.000 2.535 115 R HA 0.686 5.027 4.340 0.003 0.000 0.323 115 R C 0.926 177.297 176.300 0.117 0.000 0.979 115 R CA 0.348 56.485 56.100 0.062 0.000 1.120 115 R CB 0.473 30.828 30.300 0.091 0.000 1.306 115 R HN 0.739 nan 8.270 nan 0.000 0.540 116 A N 1.175 124.062 122.820 0.111 0.000 2.302 116 A HA 0.538 4.860 4.320 0.003 0.000 0.285 116 A C -0.057 177.566 177.584 0.065 0.000 1.105 116 A CA -0.543 51.586 52.037 0.152 0.000 0.816 116 A CB 1.043 20.118 19.000 0.125 0.000 1.067 116 A HN 0.091 nan 8.150 nan 0.000 0.489 117 V N 2.631 122.597 119.914 0.087 0.000 2.465 117 V HA 0.227 4.348 4.120 0.003 0.000 0.279 117 V C 0.162 176.121 176.094 -0.225 0.000 1.045 117 V CA -0.218 62.047 62.300 -0.058 0.000 0.938 117 V CB 0.930 32.772 31.823 0.031 0.000 0.986 117 V HN 0.956 nan 8.190 nan 0.000 0.467 118 Q N 4.223 123.844 119.800 -0.298 0.000 2.256 118 Q HA 0.538 4.879 4.340 0.003 0.000 0.257 118 Q C -1.077 174.666 176.000 -0.429 0.000 0.936 118 Q CA -0.600 55.057 55.803 -0.244 0.000 0.903 118 Q CB 1.827 30.530 28.738 -0.058 0.000 1.263 118 Q HN 0.713 nan 8.270 nan 0.000 0.440 119 H N 1.364 120.460 119.070 0.043 0.000 2.679 119 H HA 0.372 4.929 4.556 0.003 0.000 0.360 119 H C -0.984 174.397 175.328 0.088 0.000 1.105 119 H CA -0.646 55.406 56.048 0.007 0.000 1.196 119 H CB 2.044 31.694 29.762 -0.186 0.000 1.636 119 H HN 0.478 nan 8.280 nan 0.000 0.531 120 R N 2.405 122.933 120.500 0.046 0.000 2.295 120 R HA 0.227 4.568 4.340 0.003 0.000 0.324 120 R C -0.960 175.160 176.300 -0.301 0.000 0.968 120 R CA -0.531 55.331 56.100 -0.397 0.000 0.837 120 R CB 0.876 30.967 30.300 -0.348 0.000 1.133 120 R HN 0.582 nan 8.270 nan 0.000 0.450 121 E N 3.816 123.766 120.200 -0.416 0.000 2.222 121 E HA 0.299 4.650 4.350 0.003 0.000 0.267 121 E C -0.996 175.282 176.600 -0.537 0.000 0.884 121 E CA -0.855 55.315 56.400 -0.383 0.000 0.764 121 E CB 2.579 31.973 29.700 -0.511 0.000 1.169 121 E HN 0.286 nan 8.360 nan 0.000 0.413 122 V N 2.235 121.901 119.914 -0.414 0.000 2.555 122 V HA 0.172 4.293 4.120 0.003 0.000 0.302 122 V C 0.405 176.253 176.094 -0.410 0.000 1.038 122 V CA -0.918 61.088 62.300 -0.490 0.000 0.887 122 V CB 1.794 33.453 31.823 -0.273 0.000 0.991 122 V HN 0.638 nan 8.190 nan 0.000 0.434 123 Q N 2.267 121.644 119.800 -0.705 0.000 2.368 123 Q HA 0.107 4.449 4.340 0.003 0.000 0.331 123 Q C 1.310 177.237 176.000 -0.122 0.000 1.086 123 Q CA 1.535 57.064 55.803 -0.457 0.000 1.031 123 Q CB 0.158 28.521 28.738 -0.625 0.000 1.125 123 Q HN 1.298 nan 8.270 nan 0.000 0.389 124 G N 3.450 112.226 108.800 -0.040 0.000 2.267 124 G HA2 -0.297 3.665 3.960 0.003 0.000 0.257 124 G HA3 -0.297 3.665 3.960 0.003 0.000 0.257 124 G C 0.122 174.612 174.900 -0.683 0.000 0.998 124 G CA 0.385 45.338 45.100 -0.245 0.000 0.620 124 G HN 0.650 nan 8.290 nan 0.000 0.529 125 F N 2.080 122.033 119.950 0.006 0.000 2.815 125 F HA 0.329 4.857 4.527 0.003 0.000 0.335 125 F C 0.797 176.590 175.800 -0.012 0.000 1.179 125 F CA -0.457 57.540 58.000 -0.005 0.000 1.204 125 F CB 0.387 39.358 39.000 -0.049 0.000 1.050 125 F HN 0.200 nan 8.300 nan 0.000 0.510 126 E N 0.736 121.007 120.200 0.119 0.000 2.392 126 E HA 0.184 4.535 4.350 0.003 0.000 0.259 126 E C 0.322 177.002 176.600 0.134 0.000 1.108 126 E CA -0.147 56.304 56.400 0.085 0.000 0.916 126 E CB 0.721 30.483 29.700 0.103 0.000 0.989 126 E HN 0.204 nan 8.360 nan 0.000 0.432 127 S N -0.035 115.735 115.700 0.116 0.000 2.589 127 S HA 0.274 4.746 4.470 0.003 0.000 0.265 127 S C 1.163 175.826 174.600 0.106 0.000 1.342 127 S CA -0.190 58.077 58.200 0.112 0.000 1.005 127 S CB 1.085 64.332 63.200 0.079 0.000 0.909 127 S HN 0.722 nan 8.310 nan 0.000 0.555 128 A N 1.772 124.625 122.820 0.055 0.000 1.972 128 A HA -0.004 4.318 4.320 0.003 0.000 0.219 128 A C 2.247 179.772 177.584 -0.098 0.000 1.169 128 A CA 1.899 53.927 52.037 -0.015 0.000 0.635 128 A CB -1.796 17.184 19.000 -0.033 0.000 0.810 128 A HN 0.899 nan 8.150 nan 0.000 0.446 129 T N -0.718 113.788 114.554 -0.080 0.000 2.674 129 T HA -0.147 4.205 4.350 0.003 0.000 0.265 129 T C 1.631 176.007 174.700 -0.540 0.000 1.039 129 T CA 1.621 63.617 62.100 -0.173 0.000 1.150 129 T CB -0.433 68.413 68.868 -0.036 0.000 0.864 129 T HN 0.465 nan 8.240 nan 0.000 0.427 130 F N 1.851 121.518 119.950 -0.471 0.000 2.069 130 F HA -0.049 4.480 4.527 0.003 0.000 0.298 130 F C 2.007 177.537 175.800 -0.450 0.000 1.113 130 F CA 1.218 58.845 58.000 -0.621 0.000 1.214 130 F CB -0.591 38.336 39.000 -0.122 0.000 0.978 130 F HN 0.027 nan 8.300 nan 0.000 0.474 131 L N -0.097 121.099 121.223 -0.044 0.000 2.187 131 L HA -0.181 4.161 4.340 0.003 0.000 0.213 131 L C 2.703 179.485 176.870 -0.145 0.000 1.100 131 L CA 1.160 56.004 54.840 0.007 0.000 0.765 131 L CB -1.591 40.513 42.059 0.076 0.000 0.904 131 L HN 0.372 nan 8.230 nan 0.000 0.437 132 G N -0.895 107.718 108.800 -0.312 0.000 2.470 132 G HA2 -0.263 3.698 3.960 0.003 0.000 0.220 132 G HA3 -0.263 3.698 3.960 0.003 0.000 0.220 132 G C 1.162 175.891 174.900 -0.286 0.000 1.121 132 G CA 0.322 45.257 45.100 -0.275 0.000 0.766 132 G HN 0.309 nan 8.290 nan 0.000 0.553 133 Y N -0.196 119.793 120.300 -0.519 0.000 2.509 133 Y HA 0.218 4.769 4.550 0.002 0.000 0.293 133 Y C 0.374 175.645 175.900 -1.049 0.000 1.133 133 Y CA -0.876 56.687 58.100 -0.894 0.000 1.283 133 Y CB -0.471 37.133 38.460 -1.426 0.000 1.001 133 Y HN 0.146 nan 8.280 nan 0.000 0.555 134 F N -0.289 119.600 119.950 -0.102 0.000 2.443 134 F HA 0.427 4.955 4.527 0.002 0.000 0.369 134 F C 1.082 176.821 175.800 -0.101 0.000 1.090 134 F CA -1.171 56.764 58.000 -0.109 0.000 1.129 134 F CB 1.001 39.915 39.000 -0.144 0.000 1.367 134 F HN -0.380 nan 8.300 nan 0.000 0.465 135 K N 0.630 121.034 120.400 0.007 0.000 2.031 135 K HA -0.045 4.277 4.320 0.003 0.000 0.205 135 K C 1.845 178.437 176.600 -0.013 0.000 1.049 135 K CA 0.936 57.212 56.287 -0.019 0.000 0.939 135 K CB -0.163 32.307 32.500 -0.050 0.000 0.717 135 K HN 0.460 nan 8.250 nan 0.000 0.438 136 S N 0.051 115.745 115.700 -0.010 0.000 2.419 136 S HA -0.036 4.436 4.470 0.003 0.000 0.235 136 S C 1.081 175.653 174.600 -0.047 0.000 1.019 136 S CA 0.976 59.155 58.200 -0.036 0.000 0.982 136 S CB -0.150 63.027 63.200 -0.039 0.000 0.789 136 S HN 0.593 nan 8.310 nan 0.000 0.490 137 G N -0.040 108.750 108.800 -0.017 0.000 2.371 137 G HA2 0.172 4.134 3.960 0.003 0.000 0.663 137 G HA3 0.172 4.134 3.960 0.003 0.000 0.663 137 G C -1.799 173.025 174.900 -0.126 0.000 1.311 137 G CA -1.070 43.991 45.100 -0.065 0.000 0.985 137 G HN 0.141 nan 8.290 nan 0.000 0.566 138 L N 0.187 121.280 121.223 -0.217 0.000 2.330 138 L HA 0.840 5.182 4.340 0.003 0.000 0.271 138 L C 0.293 176.923 176.870 -0.399 0.000 1.013 138 L CA -0.672 53.968 54.840 -0.333 0.000 0.816 138 L CB 1.928 43.782 42.059 -0.343 0.000 1.287 138 L HN 0.697 nan 8.230 nan 0.000 0.435 139 K N 2.131 122.322 120.400 -0.348 0.000 2.507 139 K HA 0.411 4.733 4.320 0.003 0.000 0.252 139 K C -1.761 174.793 176.600 -0.077 0.000 0.943 139 K CA -0.454 55.667 56.287 -0.277 0.000 0.808 139 K CB 1.057 33.418 32.500 -0.231 0.000 1.142 139 K HN 0.508 nan 8.250 nan 0.000 0.426 140 Y N 3.597 123.870 120.300 -0.044 0.000 2.434 140 Y HA 0.271 4.822 4.550 0.003 0.000 0.341 140 Y C 0.076 175.969 175.900 -0.013 0.000 0.965 140 Y CA -1.109 57.011 58.100 0.032 0.000 1.205 140 Y CB 1.263 39.783 38.460 0.100 0.000 1.121 140 Y HN 0.220 nan 8.280 nan 0.000 0.507 141 K N 3.503 123.959 120.400 0.094 0.000 2.098 141 K HA 0.352 4.674 4.320 0.003 0.000 0.258 141 K C -0.391 176.289 176.600 0.132 0.000 0.973 141 K CA -1.162 55.111 56.287 -0.023 0.000 0.898 141 K CB 1.271 33.542 32.500 -0.382 0.000 1.057 141 K HN 0.370 nan 8.250 nan 0.000 0.447 142 K N 1.443 121.894 120.400 0.084 0.000 2.218 142 K HA 0.365 4.687 4.320 0.003 0.000 0.276 142 K C 0.467 177.157 176.600 0.150 0.000 1.022 142 K CA 0.158 56.513 56.287 0.113 0.000 0.946 142 K CB 1.174 33.693 32.500 0.032 0.000 1.000 142 K HN 0.905 nan 8.250 nan 0.000 0.468 143 G N 0.334 109.290 108.800 0.259 0.000 2.466 143 G HA2 0.213 4.175 3.960 0.003 0.000 0.316 143 G HA3 0.213 4.175 3.960 0.003 0.000 0.316 143 G C -0.271 174.845 174.900 0.360 0.000 1.270 143 G CA -0.419 44.917 45.100 0.394 0.000 0.982 143 G HN 0.958 nan 8.290 nan 0.000 0.506 144 G N -3.328 105.595 108.800 0.205 0.000 2.336 144 G HA2 0.566 4.528 3.960 0.003 0.000 0.286 144 G HA3 0.566 4.528 3.960 0.003 0.000 0.286 144 G C 0.702 175.502 174.900 -0.168 0.000 1.269 144 G CA 0.749 45.804 45.100 -0.075 0.000 0.873 144 G HN 1.682 nan 8.290 nan 0.000 0.494 145 V N 1.305 121.151 119.914 -0.113 0.000 2.358 145 V HA 0.039 4.160 4.120 0.003 0.000 0.246 145 V C 3.314 179.349 176.094 -0.098 0.000 1.047 145 V CA 3.074 65.308 62.300 -0.110 0.000 1.035 145 V CB -0.927 30.871 31.823 -0.042 0.000 0.658 145 V HN 1.146 nan 8.190 nan 0.000 0.452 146 A N -0.306 122.484 122.820 -0.051 0.000 2.070 146 A HA -0.163 4.158 4.320 0.003 0.000 0.220 146 A C 2.279 179.803 177.584 -0.100 0.000 1.159 146 A CA 2.060 54.067 52.037 -0.049 0.000 0.656 146 A CB -0.416 18.579 19.000 -0.009 0.000 0.800 146 A HN 0.530 nan 8.150 nan 0.000 0.453 147 S N -1.753 113.859 115.700 -0.147 0.000 2.556 147 S HA 0.381 4.852 4.470 0.003 0.000 0.216 147 S C 1.276 175.479 174.600 -0.662 0.000 0.970 147 S CA 0.589 58.605 58.200 -0.306 0.000 0.912 147 S CB 0.230 63.343 63.200 -0.146 0.000 0.790 147 S HN 1.616 nan 8.310 nan 0.000 0.504 148 G N 1.345 109.863 108.800 -0.470 0.000 2.160 148 G HA2 -0.258 3.703 3.960 0.003 0.000 0.244 148 G HA3 -0.258 3.703 3.960 0.003 0.000 0.244 148 G C -0.104 174.474 174.900 -0.537 0.000 1.022 148 G CA -0.288 44.540 45.100 -0.453 0.000 0.741 148 G HN 0.479 nan 8.290 nan 0.000 0.508 149 F N 0.537 120.333 119.950 -0.256 0.000 2.425 149 F HA 0.695 5.224 4.527 0.003 0.000 0.331 149 F C 0.849 176.336 175.800 -0.522 0.000 1.085 149 F CA -0.360 57.422 58.000 -0.363 0.000 1.028 149 F CB 1.674 40.371 39.000 -0.506 0.000 1.177 149 F HN 0.241 nan 8.300 nan 0.000 0.487 150 K N 0.616 120.984 120.400 -0.054 0.000 2.533 150 K HA 0.397 4.719 4.320 0.003 0.000 0.272 150 K C -1.386 175.365 176.600 0.252 0.000 0.985 150 K CA -1.067 55.213 56.287 -0.011 0.000 0.876 150 K CB 1.411 33.941 32.500 0.050 0.000 1.452 150 K HN 0.507 nan 8.250 nan 0.000 0.439 151 H N 0.906 120.228 119.070 0.421 0.000 3.224 151 H HA 0.221 4.778 4.556 0.003 0.000 0.265 151 H C -0.930 174.503 175.328 0.174 0.000 1.461 151 H CA -0.060 56.177 56.048 0.315 0.000 1.509 151 H CB 0.340 30.251 29.762 0.248 0.000 1.686 151 H HN 0.263 nan 8.280 nan 0.000 0.514 152 V N 4.210 124.267 119.914 0.238 0.000 2.623 152 V HA 0.210 4.332 4.120 0.003 0.000 0.304 152 V C -0.339 175.819 176.094 0.106 0.000 1.054 152 V CA -0.764 61.626 62.300 0.149 0.000 0.882 152 V CB 2.010 33.909 31.823 0.127 0.000 1.002 152 V HN 0.457 nan 8.190 nan 0.000 0.424 153 V N 4.983 124.938 119.914 0.069 0.000 2.326 153 V HA 0.616 4.738 4.120 0.003 0.000 0.254 153 V C -1.969 174.142 176.094 0.027 0.000 1.022 153 V CA -1.507 60.817 62.300 0.040 0.000 1.074 153 V CB -0.120 31.713 31.823 0.017 0.000 1.305 153 V HN 0.754 nan 8.190 nan 0.000 0.506 154 P HA 0.254 nan 4.420 nan 0.000 0.272 154 P C 0.969 178.278 177.300 0.015 0.000 1.248 154 P CA -0.142 62.973 63.100 0.025 0.000 0.799 154 P CB 0.695 32.414 31.700 0.031 0.000 0.997 155 N N 0.228 118.935 118.700 0.010 0.000 2.083 155 N HA -0.082 4.660 4.740 0.003 0.000 0.190 155 N C -0.049 175.466 175.510 0.008 0.000 1.047 155 N CA 1.135 54.188 53.050 0.005 0.000 0.845 155 N CB -0.216 38.273 38.487 0.002 0.000 1.025 155 N HN 0.566 nan 8.380 nan 0.000 0.428 156 E N 1.557 121.764 120.200 0.011 0.000 2.003 156 E HA 0.313 4.665 4.350 0.003 0.000 0.279 156 E C -0.830 175.781 176.600 0.019 0.000 1.132 156 E CA -0.135 56.273 56.400 0.013 0.000 0.888 156 E CB 1.189 30.898 29.700 0.013 0.000 1.056 156 E HN -0.060 nan 8.360 nan 0.000 0.399 157 V N 3.058 122.984 119.914 0.020 0.000 2.841 157 V HA 0.278 4.400 4.120 0.003 0.000 0.310 157 V C -0.239 175.871 176.094 0.026 0.000 1.090 157 V CA -1.024 61.291 62.300 0.026 0.000 0.930 157 V CB 2.293 34.133 31.823 0.028 0.000 1.014 157 V HN 0.335 nan 8.190 nan 0.000 0.425 158 V N 4.170 124.103 119.914 0.031 0.000 2.370 158 V HA 0.668 4.789 4.120 0.003 0.000 0.283 158 V C -0.255 175.859 176.094 0.033 0.000 1.023 158 V CA -0.448 61.871 62.300 0.031 0.000 0.857 158 V CB 1.577 33.419 31.823 0.032 0.000 0.985 158 V HN 0.649 nan 8.190 nan 0.000 0.443 159 V N 5.101 125.033 119.914 0.029 0.000 2.925 159 V HA 0.698 4.819 4.120 0.003 0.000 0.311 159 V C -1.007 175.103 176.094 0.025 0.000 1.104 159 V CA -0.265 62.050 62.300 0.025 0.000 0.954 159 V CB 2.149 33.983 31.823 0.018 0.000 1.022 159 V HN 1.003 nan 8.190 nan 0.000 0.427 160 Q N 5.882 125.693 119.800 0.018 0.000 2.961 160 Q HA 0.536 4.878 4.340 0.003 0.000 0.223 160 Q C -0.996 175.005 176.000 0.002 0.000 0.859 160 Q CA -0.658 55.154 55.803 0.014 0.000 0.771 160 Q CB 1.069 29.813 28.738 0.011 0.000 1.389 160 Q HN 0.938 nan 8.270 nan 0.000 0.460 161 R N 1.998 122.499 120.500 0.002 0.000 2.808 161 R HA 0.687 5.028 4.340 0.003 0.000 0.272 161 R C -1.695 174.602 176.300 -0.005 0.000 0.995 161 R CA -1.021 55.073 56.100 -0.010 0.000 0.917 161 R CB 1.612 31.898 30.300 -0.022 0.000 1.217 161 R HN 0.353 nan 8.270 nan 0.000 0.471 162 L N 2.969 124.183 121.223 -0.014 0.000 2.356 162 L HA 0.533 4.875 4.340 0.003 0.000 0.277 162 L C -1.597 175.266 176.870 -0.013 0.000 0.996 162 L CA -1.106 53.726 54.840 -0.013 0.000 0.822 162 L CB 1.851 43.884 42.059 -0.043 0.000 1.256 162 L HN 0.650 nan 8.230 nan 0.000 0.413 163 L N 4.335 125.552 121.223 -0.011 0.000 2.341 163 L HA 0.452 4.793 4.340 0.003 0.000 0.278 163 L C -0.209 176.597 176.870 -0.107 0.000 1.005 163 L CA -0.221 54.590 54.840 -0.049 0.000 0.818 163 L CB 1.868 43.890 42.059 -0.062 0.000 1.259 163 L HN 0.552 nan 8.230 nan 0.000 0.418 164 Q N 2.708 122.397 119.800 -0.185 0.000 2.340 164 Q HA 0.494 4.836 4.340 0.003 0.000 0.259 164 Q C -1.405 174.365 176.000 -0.385 0.000 0.964 164 Q CA -0.621 54.895 55.803 -0.477 0.000 0.900 164 Q CB 1.608 30.127 28.738 -0.365 0.000 1.228 164 Q HN 0.490 nan 8.270 nan 0.000 0.449 165 V N 4.706 124.362 119.914 -0.430 0.000 2.439 165 V HA 0.454 4.576 4.120 0.003 0.000 0.282 165 V C -0.207 175.742 176.094 -0.242 0.000 1.039 165 V CA -0.378 61.761 62.300 -0.268 0.000 0.913 165 V CB 1.407 33.115 31.823 -0.191 0.000 0.983 165 V HN 0.739 nan 8.190 nan 0.000 0.460 166 K N 2.224 122.520 120.400 -0.173 0.000 2.469 166 K HA 0.775 5.096 4.320 0.003 0.000 0.254 166 K C -0.299 176.253 176.600 -0.081 0.000 0.939 166 K CA -0.086 56.132 56.287 -0.114 0.000 0.812 166 K CB 2.314 34.757 32.500 -0.096 0.000 1.301 166 K HN 1.121 nan 8.250 nan 0.000 0.433 167 G N 1.478 110.256 108.800 -0.037 0.000 2.592 167 G HA2 -0.083 3.878 3.960 0.003 0.000 0.685 167 G HA3 -0.083 3.878 3.960 0.003 0.000 0.685 167 G C -0.720 174.197 174.900 0.028 0.000 1.278 167 G CA -0.470 44.624 45.100 -0.010 0.000 0.822 167 G HN 0.626 nan 8.290 nan 0.000 0.652 168 R N -0.097 120.455 120.500 0.086 0.000 2.320 168 R HA 0.210 4.552 4.340 0.003 0.000 0.193 168 R C 2.551 178.991 176.300 0.233 0.000 0.885 168 R CA 0.632 56.854 56.100 0.204 0.000 1.085 168 R CB -0.008 30.436 30.300 0.240 0.000 1.253 168 R HN 0.524 nan 8.270 nan 0.000 0.636 169 R N -0.006 120.582 120.500 0.147 0.000 2.123 169 R HA 0.161 4.503 4.340 0.003 0.000 0.209 169 R C 0.638 176.977 176.300 0.064 0.000 1.078 169 R CA 0.497 56.672 56.100 0.125 0.000 1.028 169 R CB -0.156 30.201 30.300 0.094 0.000 0.939 169 R HN 0.103 nan 8.270 nan 0.000 0.463 170 V N 3.033 122.969 119.914 0.036 0.000 2.407 170 V HA 0.421 4.543 4.120 0.003 0.000 0.291 170 V C -0.404 175.674 176.094 -0.026 0.000 1.018 170 V CA -1.020 61.284 62.300 0.006 0.000 0.842 170 V CB 1.703 33.533 31.823 0.013 0.000 0.996 170 V HN 0.075 nan 8.190 nan 0.000 0.426 171 V N 6.065 125.947 119.914 -0.054 0.000 2.432 171 V HA 0.715 4.837 4.120 0.003 0.000 0.275 171 V C -0.135 175.866 176.094 -0.155 0.000 1.043 171 V CA -0.427 61.815 62.300 -0.097 0.000 0.925 171 V CB 1.163 32.922 31.823 -0.107 0.000 0.985 171 V HN 0.972 nan 8.190 nan 0.000 0.466 172 R N 4.542 124.926 120.500 -0.192 0.000 2.480 172 R HA 0.785 5.126 4.340 0.003 0.000 0.306 172 R C -0.582 175.536 176.300 -0.302 0.000 0.958 172 R CA -0.379 55.523 56.100 -0.328 0.000 0.861 172 R CB 2.206 32.309 30.300 -0.330 0.000 1.171 172 R HN 0.984 nan 8.270 nan 0.000 0.445 173 A N 2.446 125.059 122.820 -0.344 0.000 2.273 173 A HA 0.469 4.791 4.320 0.003 0.000 0.315 173 A C -0.462 176.991 177.584 -0.218 0.000 1.256 173 A CA -0.504 51.386 52.037 -0.244 0.000 0.851 173 A CB 1.090 19.971 19.000 -0.199 0.000 1.172 173 A HN 0.570 nan 8.150 nan 0.000 0.508 174 T N 2.658 117.138 114.554 -0.123 0.000 2.779 174 T HA 0.314 4.666 4.350 0.003 0.000 0.280 174 T C -0.171 174.530 174.700 0.001 0.000 0.987 174 T CA -0.346 61.759 62.100 0.008 0.000 0.966 174 T CB 1.022 69.946 68.868 0.093 0.000 0.933 174 T HN 0.703 nan 8.240 nan 0.000 0.442 175 E N 2.038 122.254 120.200 0.027 0.000 2.376 175 E HA 0.372 4.724 4.350 0.003 0.000 0.266 175 E C 0.109 176.726 176.600 0.028 0.000 1.009 175 E CA -0.399 56.005 56.400 0.008 0.000 0.902 175 E CB 0.692 30.391 29.700 -0.003 0.000 0.972 175 E HN 0.473 nan 8.360 nan 0.000 0.439 176 V N 0.596 120.520 119.914 0.017 0.000 3.141 176 V HA 0.578 4.700 4.120 0.003 0.000 0.312 176 V C -2.647 173.456 176.094 0.016 0.000 1.157 176 V CA -2.953 59.365 62.300 0.030 0.000 1.041 176 V CB 1.316 33.166 31.823 0.044 0.000 1.071 176 V HN 0.446 nan 8.190 nan 0.000 0.441 177 P HA 0.167 nan 4.420 nan 0.000 0.266 177 P C -0.328 176.967 177.300 -0.008 0.000 1.195 177 P CA 0.011 63.118 63.100 0.013 0.000 0.768 177 P CB 0.461 32.176 31.700 0.026 0.000 0.838 178 V N 3.559 123.460 119.914 -0.022 0.000 2.359 178 V HA 0.283 4.404 4.120 0.003 0.000 0.248 178 V C 0.635 176.684 176.094 -0.075 0.000 1.091 178 V CA 0.980 63.249 62.300 -0.052 0.000 1.103 178 V CB -1.045 30.747 31.823 -0.053 0.000 1.176 178 V HN 0.738 nan 8.190 nan 0.000 0.488 179 S N 3.410 119.066 115.700 -0.074 0.000 2.597 179 S HA 0.294 4.766 4.470 0.003 0.000 0.274 179 S C -0.275 174.303 174.600 -0.036 0.000 1.132 179 S CA -0.723 57.420 58.200 -0.095 0.000 0.835 179 S CB 0.555 63.751 63.200 -0.006 0.000 1.092 179 S HN 0.461 nan 8.310 nan 0.000 0.457 180 W N 1.413 122.670 121.300 -0.072 0.000 2.465 180 W HA 0.088 4.750 4.660 0.002 0.000 0.268 180 W C 1.993 178.499 176.519 -0.021 0.000 1.242 180 W CA 0.780 57.998 57.345 -0.212 0.000 1.248 180 W CB 0.093 29.362 29.460 -0.319 0.000 1.118 180 W HN 0.785 nan 8.180 nan 0.000 0.587 181 E N -0.448 119.887 120.200 0.224 0.000 2.338 181 E HA -0.130 4.221 4.350 0.003 0.000 0.197 181 E C 1.826 178.517 176.600 0.153 0.000 1.007 181 E CA 1.055 57.550 56.400 0.158 0.000 0.849 181 E CB -0.141 29.622 29.700 0.104 0.000 0.774 181 E HN 0.143 nan 8.360 nan 0.000 0.506 182 S N 0.061 115.854 115.700 0.155 0.000 2.528 182 S HA 0.083 4.555 4.470 0.003 0.000 0.219 182 S C 0.449 175.061 174.600 0.019 0.000 0.985 182 S CA 0.041 58.294 58.200 0.087 0.000 0.914 182 S CB 0.075 63.284 63.200 0.015 0.000 0.776 182 S HN 0.075 nan 8.310 nan 0.000 0.526 183 F N 3.044 122.832 119.950 -0.270 0.000 2.368 183 F HA 0.418 4.946 4.527 0.002 0.000 0.308 183 F C 0.771 176.545 175.800 -0.044 0.000 1.198 183 F CA -0.502 57.152 58.000 -0.576 0.000 1.130 183 F CB 0.612 39.251 39.000 -0.602 0.000 1.300 183 F HN 0.200 nan 8.300 nan 0.000 0.537 184 N N -1.425 117.482 118.700 0.345 0.000 3.046 184 N HA 0.167 4.909 4.740 0.003 0.000 0.243 184 N C -1.074 174.753 175.510 0.527 0.000 1.452 184 N CA -0.917 52.365 53.050 0.388 0.000 0.882 184 N CB 0.316 39.019 38.487 0.360 0.000 1.425 184 N HN 0.335 nan 8.380 nan 0.000 0.517 185 N N -1.952 116.981 118.700 0.390 0.000 2.336 185 N HA 0.210 4.952 4.740 0.003 0.000 0.189 185 N C 0.928 176.614 175.510 0.293 0.000 1.113 185 N CA 0.514 53.789 53.050 0.376 0.000 0.858 185 N CB 0.152 38.779 38.487 0.233 0.000 0.970 185 N HN 0.717 nan 8.380 nan 0.000 0.471 186 G N -0.982 107.998 108.800 0.299 0.000 2.709 186 G HA2 0.054 4.016 3.960 0.003 0.000 0.208 186 G HA3 0.054 4.016 3.960 0.003 0.000 0.208 186 G C 0.135 175.160 174.900 0.209 0.000 1.129 186 G CA -0.090 45.136 45.100 0.210 0.000 0.793 186 G HN 0.211 nan 8.290 nan 0.000 0.524 187 D N -0.620 119.959 120.400 0.299 0.000 2.529 187 D HA 0.494 5.135 4.640 0.003 0.000 0.273 187 D C -0.342 176.109 176.300 0.252 0.000 1.197 187 D CA -0.319 53.770 54.000 0.148 0.000 1.070 187 D CB 1.341 42.077 40.800 -0.107 0.000 1.134 187 D HN -0.028 nan 8.370 nan 0.000 0.590 188 c N 0.417 119.025 118.600 0.012 0.000 2.456 188 c HA 0.623 5.195 4.570 0.003 0.000 0.325 188 c C -0.612 173.434 174.090 -0.074 0.000 1.217 188 c CA -0.621 55.815 56.329 0.179 0.000 1.687 188 c CB -0.259 42.298 42.510 0.078 0.000 2.270 188 c HN 0.330 nan 8.230 nan 0.000 0.499 189 F N 1.907 122.017 119.950 0.267 0.000 2.577 189 F HA 0.717 5.246 4.527 0.002 0.000 0.318 189 F C 0.063 175.936 175.800 0.121 0.000 1.065 189 F CA -0.971 57.051 58.000 0.037 0.000 0.929 189 F CB 1.013 39.810 39.000 -0.338 0.000 1.237 189 F HN 0.256 nan 8.300 nan 0.000 0.468 190 I N 3.431 124.113 120.570 0.186 0.000 2.410 190 I HA 0.291 4.462 4.170 0.003 0.000 0.286 190 I C -1.277 174.925 176.117 0.142 0.000 1.009 190 I CA -0.772 60.630 61.300 0.169 0.000 1.111 190 I CB 1.806 39.850 38.000 0.075 0.000 1.262 190 I HN 0.303 nan 8.210 nan 0.000 0.443 191 L N 6.731 128.076 121.223 0.203 0.000 2.270 191 L HA 0.377 4.718 4.340 0.003 0.000 0.286 191 L C -0.378 176.599 176.870 0.179 0.000 1.059 191 L CA 0.033 54.967 54.840 0.157 0.000 0.839 191 L CB 0.458 42.608 42.059 0.151 0.000 1.221 191 L HN 0.436 nan 8.230 nan 0.000 0.431 192 D N 4.583 125.042 120.400 0.098 0.000 2.347 192 D HA 0.189 4.831 4.640 0.003 0.000 0.235 192 D C 0.007 176.352 176.300 0.075 0.000 1.149 192 D CA -0.250 53.794 54.000 0.075 0.000 0.850 192 D CB 0.895 41.711 40.800 0.027 0.000 1.061 192 D HN 0.365 nan 8.370 nan 0.000 0.487 193 L N 3.758 125.043 121.223 0.104 0.000 2.965 193 L HA 0.415 4.757 4.340 0.003 0.000 0.254 193 L C 1.601 178.507 176.870 0.061 0.000 1.220 193 L CA 0.348 55.246 54.840 0.097 0.000 1.023 193 L CB -0.395 41.766 42.059 0.169 0.000 1.355 193 L HN 0.828 nan 8.230 nan 0.000 0.545 194 G N 1.014 109.835 108.800 0.034 0.000 3.675 194 G HA2 -0.359 3.603 3.960 0.003 0.000 0.275 194 G HA3 -0.359 3.603 3.960 0.003 0.000 0.275 194 G C 1.067 175.968 174.900 0.002 0.000 1.648 194 G CA 0.325 45.436 45.100 0.018 0.000 1.093 194 G HN 0.355 nan 8.290 nan 0.000 0.617 195 N N 1.769 120.472 118.700 0.006 0.000 2.457 195 N HA 0.045 4.786 4.740 0.003 0.000 0.180 195 N C 0.033 175.520 175.510 -0.038 0.000 1.050 195 N CA 0.438 53.482 53.050 -0.011 0.000 0.906 195 N CB 0.005 38.493 38.487 0.002 0.000 0.968 195 N HN 0.314 nan 8.380 nan 0.000 0.445 196 N N 0.938 119.615 118.700 -0.039 0.000 2.354 196 N HA 0.347 5.089 4.740 0.003 0.000 0.287 196 N C -1.241 174.149 175.510 -0.200 0.000 1.016 196 N CA -0.250 52.706 53.050 -0.158 0.000 0.871 196 N CB 2.173 40.601 38.487 -0.098 0.000 1.299 196 N HN -0.023 nan 8.380 nan 0.000 0.482 197 I N 2.949 123.341 120.570 -0.297 0.000 2.382 197 I HA 0.280 4.452 4.170 0.003 0.000 0.286 197 I C -0.957 175.018 176.117 -0.235 0.000 1.002 197 I CA -0.718 60.486 61.300 -0.161 0.000 1.135 197 I CB 0.758 38.711 38.000 -0.079 0.000 1.288 197 I HN 0.301 nan 8.210 nan 0.000 0.448 198 Y N 4.913 125.304 120.300 0.152 0.000 2.385 198 Y HA 0.336 4.887 4.550 0.003 0.000 0.341 198 Y C 0.358 176.427 175.900 0.282 0.000 0.965 198 Y CA -0.455 57.805 58.100 0.265 0.000 1.180 198 Y CB 1.079 39.710 38.460 0.285 0.000 1.139 198 Y HN 0.505 nan 8.280 nan 0.000 0.502 199 Q N 4.072 124.104 119.800 0.386 0.000 2.274 199 Q HA 0.271 4.612 4.340 0.003 0.000 0.256 199 Q C -1.607 174.699 176.000 0.510 0.000 0.927 199 Q CA -0.692 55.315 55.803 0.339 0.000 0.939 199 Q CB 1.074 29.911 28.738 0.164 0.000 1.201 199 Q HN 0.831 nan 8.270 nan 0.000 0.426 200 W N 5.109 126.610 121.300 0.334 0.000 2.739 200 W HA 0.563 5.225 4.660 0.003 0.000 0.331 200 W C -1.796 174.940 176.519 0.362 0.000 1.049 200 W CA -0.450 57.127 57.345 0.388 0.000 1.234 200 W CB 1.228 30.957 29.460 0.448 0.000 1.404 200 W HN 0.650 nan 8.180 nan 0.000 0.477 201 c N 4.707 123.217 118.600 -0.150 0.000 2.498 201 c HA 0.761 5.332 4.570 0.003 0.000 0.316 201 c C 1.074 174.743 174.090 -0.701 0.000 1.209 201 c CA -0.522 55.717 56.329 -0.149 0.000 1.518 201 c CB 0.880 43.358 42.510 -0.052 0.000 2.147 201 c HN 0.917 nan 8.230 nan 0.000 0.483 202 G N 1.694 110.324 108.800 -0.284 0.000 2.630 202 G HA2 0.283 4.245 3.960 0.003 0.000 0.236 202 G HA3 0.283 4.245 3.960 0.003 0.000 0.236 202 G C 1.029 175.842 174.900 -0.146 0.000 1.248 202 G CA 0.489 45.480 45.100 -0.182 0.000 0.844 202 G HN 1.052 nan 8.290 nan 0.000 0.588 203 S N -0.138 115.522 115.700 -0.068 0.000 2.442 203 S HA -0.065 4.407 4.470 0.003 0.000 0.236 203 S C 1.444 176.049 174.600 0.008 0.000 1.007 203 S CA 1.053 59.231 58.200 -0.036 0.000 0.965 203 S CB 0.021 63.222 63.200 0.002 0.000 0.773 203 S HN 0.586 nan 8.310 nan 0.000 0.504 204 K N 2.388 122.816 120.400 0.047 0.000 2.493 204 K HA 0.197 4.518 4.320 0.003 0.000 0.207 204 K C 0.103 176.741 176.600 0.065 0.000 1.033 204 K CA -0.026 56.296 56.287 0.059 0.000 1.161 204 K CB 0.443 32.991 32.500 0.079 0.000 0.873 204 K HN 0.531 nan 8.250 nan 0.000 0.491 205 S N 0.382 116.111 115.700 0.049 0.000 2.586 205 S HA 0.191 4.663 4.470 0.003 0.000 0.274 205 S C 0.037 174.668 174.600 0.052 0.000 1.281 205 S CA -0.902 57.332 58.200 0.057 0.000 1.035 205 S CB 1.320 64.546 63.200 0.042 0.000 0.962 205 S HN 0.128 nan 8.310 nan 0.000 0.512 206 N N 0.985 119.728 118.700 0.073 0.000 2.524 206 N HA 0.193 4.934 4.740 0.003 0.000 0.283 206 N C 1.122 176.692 175.510 0.099 0.000 1.142 206 N CA -0.454 52.651 53.050 0.091 0.000 0.984 206 N CB 0.838 39.398 38.487 0.122 0.000 1.155 206 N HN 0.670 nan 8.380 nan 0.000 0.467 207 R N 1.430 121.993 120.500 0.106 0.000 2.105 207 R HA -0.172 4.170 4.340 0.003 0.000 0.239 207 R C 1.662 178.049 176.300 0.144 0.000 1.135 207 R CA 1.349 57.510 56.100 0.102 0.000 0.967 207 R CB -0.319 30.041 30.300 0.101 0.000 0.861 207 R HN 0.559 nan 8.270 nan 0.000 0.442 208 F N 2.146 122.123 119.950 0.045 0.000 2.134 208 F HA -0.151 4.377 4.527 0.002 0.000 0.299 208 F C 1.960 177.783 175.800 0.038 0.000 1.097 208 F CA 1.522 59.556 58.000 0.056 0.000 1.264 208 F CB -0.056 38.987 39.000 0.073 0.000 1.001 208 F HN -0.029 nan 8.300 nan 0.000 0.479 209 E N -0.227 120.030 120.200 0.096 0.000 2.085 209 E HA -0.231 4.121 4.350 0.003 0.000 0.194 209 E C 2.259 178.819 176.600 -0.067 0.000 0.994 209 E CA 1.423 57.821 56.400 -0.004 0.000 0.801 209 E CB -0.163 29.571 29.700 0.056 0.000 0.743 209 E HN 0.426 nan 8.360 nan 0.000 0.453 210 R N 0.238 120.719 120.500 -0.030 0.000 2.115 210 R HA -0.120 4.221 4.340 0.003 0.000 0.230 210 R C 2.424 178.677 176.300 -0.078 0.000 1.111 210 R CA 0.674 56.752 56.100 -0.037 0.000 0.976 210 R CB -0.318 29.974 30.300 -0.014 0.000 0.870 210 R HN 0.127 nan 8.270 nan 0.000 0.445 211 L N 1.580 122.731 121.223 -0.120 0.000 2.017 211 L HA -0.167 4.174 4.340 0.003 0.000 0.208 211 L C 1.879 178.628 176.870 -0.201 0.000 1.073 211 L CA 1.900 56.645 54.840 -0.159 0.000 0.745 211 L CB -0.267 41.665 42.059 -0.211 0.000 0.894 211 L HN -0.101 nan 8.230 nan 0.000 0.432 212 K N 0.110 120.337 120.400 -0.288 0.000 2.032 212 K HA -0.075 4.246 4.320 0.003 0.000 0.209 212 K C 2.155 178.665 176.600 -0.150 0.000 1.048 212 K CA 1.487 57.628 56.287 -0.244 0.000 0.927 212 K CB -1.003 31.338 32.500 -0.265 0.000 0.712 212 K HN 0.488 nan 8.250 nan 0.000 0.441 213 A N 0.962 123.712 122.820 -0.118 0.000 1.908 213 A HA -0.175 4.146 4.320 0.003 0.000 0.218 213 A C 2.333 179.876 177.584 -0.067 0.000 1.181 213 A CA 2.404 54.393 52.037 -0.080 0.000 0.627 213 A CB -1.057 17.918 19.000 -0.042 0.000 0.818 213 A HN 0.363 nan 8.150 nan 0.000 0.445 214 T N 0.141 114.652 114.554 -0.071 0.000 2.803 214 T HA -0.182 4.169 4.350 0.003 0.000 0.269 214 T C 1.961 176.619 174.700 -0.071 0.000 1.052 214 T CA 1.696 63.758 62.100 -0.063 0.000 1.136 214 T CB -0.269 68.559 68.868 -0.067 0.000 0.864 214 T HN 0.653 nan 8.240 nan 0.000 0.467 215 Q N 0.211 119.959 119.800 -0.086 0.000 2.167 215 Q HA -0.038 4.304 4.340 0.003 0.000 0.202 215 Q C 2.527 178.478 176.000 -0.081 0.000 0.970 215 Q CA 0.940 56.693 55.803 -0.084 0.000 0.855 215 Q CB -0.271 28.411 28.738 -0.093 0.000 0.911 215 Q HN 0.394 nan 8.270 nan 0.000 0.438 216 V N 0.291 120.154 119.914 -0.085 0.000 2.358 216 V HA -0.214 3.908 4.120 0.003 0.000 0.246 216 V C 2.150 178.201 176.094 -0.072 0.000 1.047 216 V CA 1.800 64.048 62.300 -0.087 0.000 1.035 216 V CB -0.423 31.342 31.823 -0.097 0.000 0.658 216 V HN 0.262 nan 8.190 nan 0.000 0.452 217 S N -0.412 115.254 115.700 -0.057 0.000 2.368 217 S HA -0.240 4.231 4.470 0.003 0.000 0.225 217 S C 2.023 176.590 174.600 -0.055 0.000 1.030 217 S CA 1.845 60.018 58.200 -0.045 0.000 0.999 217 S CB -0.285 62.897 63.200 -0.030 0.000 0.844 217 S HN 0.598 nan 8.310 nan 0.000 0.459 218 K N 0.996 121.359 120.400 -0.061 0.000 2.057 218 K HA -0.073 4.249 4.320 0.003 0.000 0.206 218 K C 2.228 178.789 176.600 -0.065 0.000 1.050 218 K CA 1.251 57.501 56.287 -0.062 0.000 0.935 218 K CB -0.560 31.902 32.500 -0.063 0.000 0.715 218 K HN 0.363 nan 8.250 nan 0.000 0.439 219 G N 1.369 110.127 108.800 -0.069 0.000 2.418 219 G HA2 -0.225 3.737 3.960 0.003 0.000 0.217 219 G HA3 -0.225 3.737 3.960 0.003 0.000 0.217 219 G C 1.477 176.333 174.900 -0.074 0.000 1.158 219 G CA 0.987 46.042 45.100 -0.074 0.000 0.771 219 G HN 0.273 nan 8.290 nan 0.000 0.545 220 I N 0.002 120.530 120.570 -0.070 0.000 2.252 220 I HA -0.120 4.052 4.170 0.003 0.000 0.245 220 I C 2.810 178.893 176.117 -0.057 0.000 1.102 220 I CA 1.078 62.340 61.300 -0.064 0.000 1.385 220 I CB -0.264 37.703 38.000 -0.056 0.000 1.064 220 I HN 0.114 nan 8.210 nan 0.000 0.414 221 R N 1.075 121.541 120.500 -0.057 0.000 2.070 221 R HA -0.198 4.143 4.340 0.003 0.000 0.233 221 R C 1.797 178.064 176.300 -0.054 0.000 1.137 221 R CA 2.201 58.268 56.100 -0.055 0.000 0.945 221 R CB -0.139 30.127 30.300 -0.058 0.000 0.845 221 R HN 0.304 nan 8.270 nan 0.000 0.430 222 D N -0.113 120.252 120.400 -0.059 0.000 2.120 222 D HA -0.075 4.566 4.640 0.003 0.000 0.202 222 D C 1.558 177.820 176.300 -0.065 0.000 0.972 222 D CA 0.919 54.883 54.000 -0.060 0.000 0.837 222 D CB -0.342 40.421 40.800 -0.062 0.000 0.989 222 D HN 0.270 nan 8.370 nan 0.000 0.469 223 N N 0.751 119.408 118.700 -0.072 0.000 2.250 223 N HA -0.021 4.720 4.740 0.003 0.000 0.181 223 N C 0.460 175.927 175.510 -0.072 0.000 1.017 223 N CA 0.631 53.632 53.050 -0.082 0.000 0.866 223 N CB 0.382 38.812 38.487 -0.095 0.000 0.985 223 N HN 0.386 nan 8.380 nan 0.000 0.429 224 E N 0.079 120.242 120.200 -0.061 0.000 2.232 224 E HA 0.373 4.725 4.350 0.003 0.000 0.264 224 E C 0.255 176.831 176.600 -0.040 0.000 0.973 224 E CA -0.740 55.633 56.400 -0.046 0.000 0.849 224 E CB 1.425 31.100 29.700 -0.042 0.000 1.198 224 E HN -0.085 nan 8.360 nan 0.000 0.407 225 R N -0.362 120.121 120.500 -0.029 0.000 4.002 225 R HA -0.216 4.126 4.340 0.003 0.000 0.443 225 R C 0.016 176.297 176.300 -0.031 0.000 0.770 225 R CA 1.159 57.243 56.100 -0.027 0.000 1.648 225 R CB -2.519 27.762 30.300 -0.031 0.000 2.287 225 R HN 0.722 nan 8.270 nan 0.000 0.454 226 S N -0.560 115.116 115.700 -0.039 0.000 3.711 226 S HA -0.070 4.402 4.470 0.003 0.000 0.374 226 S C 1.194 175.770 174.600 -0.040 0.000 0.969 226 S CA 1.826 60.002 58.200 -0.041 0.000 1.198 226 S CB -1.626 61.553 63.200 -0.036 0.000 0.903 226 S HN 1.545 nan 8.310 nan 0.000 0.493 227 G N 0.735 109.509 108.800 -0.043 0.000 2.245 227 G HA2 -0.363 3.599 3.960 0.003 0.000 0.264 227 G HA3 -0.363 3.599 3.960 0.003 0.000 0.264 227 G C 0.029 174.906 174.900 -0.038 0.000 0.985 227 G CA 0.513 45.587 45.100 -0.042 0.000 0.625 227 G HN 0.742 nan 8.290 nan 0.000 0.536 228 R N 0.686 121.166 120.500 -0.034 0.000 3.171 228 R HA 0.639 4.980 4.340 0.003 0.000 0.241 228 R C 0.157 176.438 176.300 -0.032 0.000 1.421 228 R CA 0.625 56.707 56.100 -0.029 0.000 1.444 228 R CB 0.520 30.806 30.300 -0.023 0.000 1.247 228 R HN 0.925 nan 8.270 nan 0.000 0.636 229 A N 1.420 124.216 122.820 -0.040 0.000 2.583 229 A HA 0.237 4.558 4.320 0.003 0.000 0.298 229 A C -1.634 175.911 177.584 -0.064 0.000 1.055 229 A CA -0.824 51.184 52.037 -0.048 0.000 0.714 229 A CB 1.632 20.603 19.000 -0.049 0.000 1.277 229 A HN 0.385 nan 8.150 nan 0.000 0.406 230 Q N 0.752 120.503 119.800 -0.081 0.000 2.256 230 Q HA 0.630 4.971 4.340 0.003 0.000 0.254 230 Q C -1.306 174.604 176.000 -0.151 0.000 0.916 230 Q CA -0.127 55.614 55.803 -0.102 0.000 0.932 230 Q CB 1.485 30.165 28.738 -0.096 0.000 1.207 230 Q HN 0.750 nan 8.270 nan 0.000 0.426 231 V N 3.812 123.647 119.914 -0.132 0.000 2.409 231 V HA 0.642 4.763 4.120 0.003 0.000 0.291 231 V C -0.852 175.150 176.094 -0.152 0.000 1.020 231 V CA -0.559 61.656 62.300 -0.142 0.000 0.848 231 V CB 1.594 33.358 31.823 -0.097 0.000 0.990 231 V HN 0.911 nan 8.190 nan 0.000 0.430 232 S N 3.836 119.429 115.700 -0.179 0.000 2.532 232 S HA 0.753 5.225 4.470 0.003 0.000 0.299 232 S C -0.873 173.569 174.600 -0.263 0.000 1.105 232 S CA -0.748 57.306 58.200 -0.243 0.000 1.018 232 S CB 1.845 64.922 63.200 -0.204 0.000 1.021 232 S HN 0.633 nan 8.310 nan 0.000 0.483 233 V N 4.211 123.901 119.914 -0.373 0.000 2.532 233 V HA 0.813 4.935 4.120 0.003 0.000 0.295 233 V C -1.697 174.117 176.094 -0.466 0.000 1.041 233 V CA -0.624 61.536 62.300 -0.233 0.000 0.926 233 V CB 0.861 32.611 31.823 -0.122 0.000 0.992 233 V HN 0.868 nan 8.190 nan 0.000 0.457 234 F N 3.283 123.299 119.950 0.110 0.000 2.599 234 F HA 0.613 5.142 4.527 0.003 0.000 0.311 234 F C 0.181 175.932 175.800 -0.082 0.000 1.076 234 F CA -0.717 57.325 58.000 0.069 0.000 0.937 234 F CB 2.000 41.108 39.000 0.180 0.000 1.282 234 F HN 0.427 nan 8.300 nan 0.000 0.460 235 E N 0.156 120.393 120.200 0.062 0.000 2.222 235 E HA 0.226 4.578 4.350 0.003 0.000 0.267 235 E C -0.941 175.473 176.600 -0.311 0.000 0.963 235 E CA -1.090 55.190 56.400 -0.200 0.000 0.837 235 E CB 1.791 31.427 29.700 -0.105 0.000 1.183 235 E HN 0.592 nan 8.360 nan 0.000 0.403 236 E N 0.331 120.177 120.200 -0.590 0.000 2.529 236 E HA -0.033 4.318 4.350 0.003 0.000 0.259 236 E C 0.489 177.083 176.600 -0.010 0.000 0.966 236 E CA 1.118 57.342 56.400 -0.293 0.000 0.937 236 E CB 0.001 29.575 29.700 -0.211 0.000 0.923 236 E HN 0.734 nan 8.360 nan 0.000 0.468 237 G N 2.701 111.573 108.800 0.119 0.000 2.195 237 G HA2 -0.236 3.725 3.960 0.003 0.000 0.224 237 G HA3 -0.236 3.725 3.960 0.003 0.000 0.224 237 G C 0.354 175.297 174.900 0.071 0.000 0.990 237 G CA 0.095 45.235 45.100 0.068 0.000 0.639 237 G HN 0.978 nan 8.290 nan 0.000 0.514 238 A N 0.777 123.660 122.820 0.105 0.000 2.643 238 A HA 0.581 4.903 4.320 0.003 0.000 0.295 238 A C 0.573 178.167 177.584 0.017 0.000 1.065 238 A CA 0.473 52.573 52.037 0.104 0.000 0.986 238 A CB 0.093 19.204 19.000 0.185 0.000 1.212 238 A HN 0.548 nan 8.150 nan 0.000 0.516 239 E N 1.929 122.147 120.200 0.030 0.000 2.366 239 E HA 0.225 4.577 4.350 0.003 0.000 0.266 239 E C -2.451 173.973 176.600 -0.293 0.000 1.015 239 E CA -1.478 54.857 56.400 -0.109 0.000 0.906 239 E CB 0.298 30.068 29.700 0.116 0.000 0.979 239 E HN 0.358 nan 8.360 nan 0.000 0.443 240 P HA -0.006 nan 4.420 nan 0.000 0.274 240 P C 0.546 177.683 177.300 -0.271 0.000 1.260 240 P CA -0.265 62.577 63.100 -0.431 0.000 0.793 240 P CB 1.071 32.430 31.700 -0.569 0.000 1.048 241 E N 0.269 120.371 120.200 -0.163 0.000 2.077 241 E HA -0.175 4.176 4.350 0.003 0.000 0.193 241 E C 1.947 178.451 176.600 -0.159 0.000 0.989 241 E CA 1.292 57.622 56.400 -0.117 0.000 0.800 241 E CB -0.465 29.203 29.700 -0.054 0.000 0.746 241 E HN 0.484 nan 8.360 nan 0.000 0.452 242 A N 1.411 124.103 122.820 -0.214 0.000 1.873 242 A HA -0.264 4.057 4.320 0.003 0.000 0.218 242 A C 2.243 179.628 177.584 -0.331 0.000 1.193 242 A CA 2.017 53.904 52.037 -0.250 0.000 0.629 242 A CB -0.731 18.087 19.000 -0.303 0.000 0.826 242 A HN 0.490 nan 8.150 nan 0.000 0.447 243 M N -1.311 117.987 119.600 -0.503 0.000 2.067 243 M HA -0.137 4.345 4.480 0.003 0.000 0.260 243 M C 1.833 177.967 176.300 -0.277 0.000 1.069 243 M CA 1.762 56.807 55.300 -0.424 0.000 1.117 243 M CB -0.200 32.133 32.600 -0.446 0.000 1.334 243 M HN 0.300 nan 8.290 nan 0.000 0.407 244 L N 0.630 121.740 121.223 -0.187 0.000 2.131 244 L HA -0.200 4.141 4.340 0.003 0.000 0.210 244 L C 2.475 179.300 176.870 -0.075 0.000 1.092 244 L CA 1.844 56.640 54.840 -0.073 0.000 0.759 244 L CB -1.187 40.843 42.059 -0.047 0.000 0.903 244 L HN 0.532 nan 8.230 nan 0.000 0.435 245 Q N -1.039 118.700 119.800 -0.103 0.000 2.046 245 Q HA -0.165 4.177 4.340 0.003 0.000 0.200 245 Q C 2.232 178.185 176.000 -0.079 0.000 0.975 245 Q CA 2.195 57.953 55.803 -0.075 0.000 0.836 245 Q CB -0.002 28.695 28.738 -0.068 0.000 0.896 245 Q HN 0.442 nan 8.270 nan 0.000 0.428 246 V N -1.565 118.280 119.914 -0.115 0.000 2.788 246 V HA -0.019 4.103 4.120 0.003 0.000 0.251 246 V C 1.677 177.680 176.094 -0.153 0.000 1.068 246 V CA 1.003 63.236 62.300 -0.112 0.000 1.090 246 V CB -0.146 31.614 31.823 -0.106 0.000 0.710 246 V HN 0.335 nan 8.190 nan 0.000 0.467 247 L N 1.031 122.116 121.223 -0.230 0.000 2.298 247 L HA 0.630 4.972 4.340 0.003 0.000 0.209 247 L C 1.420 178.231 176.870 -0.099 0.000 1.084 247 L CA 0.843 55.471 54.840 -0.353 0.000 0.816 247 L CB -0.468 41.045 42.059 -0.909 0.000 0.967 247 L HN 0.661 nan 8.230 nan 0.000 0.460 248 G N 0.130 108.941 108.800 0.017 0.000 2.566 248 G HA2 -0.135 3.827 3.960 0.003 0.000 0.599 248 G HA3 -0.135 3.827 3.960 0.003 0.000 0.599 248 G C -2.803 172.231 174.900 0.224 0.000 1.292 248 G CA -0.835 44.326 45.100 0.102 0.000 0.922 248 G HN -0.027 nan 8.290 nan 0.000 0.514 249 P HA 0.230 nan 4.420 nan 0.000 0.268 249 P C -0.340 176.827 177.300 -0.222 0.000 1.204 249 P CA 0.115 63.203 63.100 -0.020 0.000 0.768 249 P CB 0.903 32.568 31.700 -0.059 0.000 0.842 250 K N 5.697 125.813 120.400 -0.473 0.000 2.383 250 K HA 0.190 4.512 4.320 0.003 0.000 0.286 250 K C -1.640 174.472 176.600 -0.812 0.000 1.051 250 K CA -1.260 54.276 56.287 -1.252 0.000 0.974 250 K CB 0.075 31.893 32.500 -1.136 0.000 0.968 250 K HN 0.385 nan 8.250 nan 0.000 0.475 251 P HA 0.176 nan 4.420 nan 0.000 0.317 251 P C -0.710 176.376 177.300 -0.357 0.000 1.307 251 P CA -0.586 62.257 63.100 -0.428 0.000 0.749 251 P CB 0.420 31.934 31.700 -0.309 0.000 1.377 252 T N 0.574 115.006 114.554 -0.203 0.000 2.869 252 T HA 0.355 4.707 4.350 0.003 0.000 0.295 252 T C 0.319 174.956 174.700 -0.104 0.000 0.987 252 T CA -0.140 61.882 62.100 -0.131 0.000 1.109 252 T CB -0.172 68.652 68.868 -0.072 0.000 0.932 252 T HN 0.129 nan 8.240 nan 0.000 0.518 253 L N 4.770 125.959 121.223 -0.058 0.000 2.360 253 L HA 0.483 4.825 4.340 0.003 0.000 0.271 253 L C -1.926 174.983 176.870 0.065 0.000 1.057 253 L CA -2.173 52.677 54.840 0.017 0.000 0.803 253 L CB 0.746 42.858 42.059 0.087 0.000 1.207 253 L HN 0.410 nan 8.230 nan 0.000 0.445 254 P HA 0.223 nan 4.420 nan 0.000 0.279 254 P C -0.873 176.503 177.300 0.128 0.000 1.276 254 P CA -0.685 62.475 63.100 0.099 0.000 0.801 254 P CB 0.619 32.381 31.700 0.104 0.000 1.127 255 E N -0.268 119.998 120.200 0.110 0.000 2.319 255 E HA 0.436 4.788 4.350 0.003 0.000 0.268 255 E C -0.253 176.427 176.600 0.133 0.000 1.050 255 E CA -0.507 55.963 56.400 0.117 0.000 0.878 255 E CB 1.094 30.847 29.700 0.088 0.000 1.066 255 E HN 0.443 nan 8.360 nan 0.000 0.406 256 A N 1.673 124.579 122.820 0.144 0.000 2.425 256 A HA 0.178 4.500 4.320 0.003 0.000 0.249 256 A C 0.174 177.823 177.584 0.107 0.000 1.084 256 A CA -0.112 52.011 52.037 0.144 0.000 0.781 256 A CB 0.068 19.155 19.000 0.145 0.000 1.019 256 A HN 0.445 nan 8.150 nan 0.000 0.490 257 T N 2.548 117.162 114.554 0.101 0.000 3.176 257 T HA 0.152 4.503 4.350 0.003 0.000 0.301 257 T C 1.146 175.888 174.700 0.071 0.000 1.115 257 T CA 0.225 62.374 62.100 0.081 0.000 1.027 257 T CB 0.318 69.233 68.868 0.079 0.000 1.063 257 T HN 0.802 nan 8.240 nan 0.000 0.669 258 E N 2.258 122.498 120.200 0.067 0.000 2.267 258 E HA -0.136 4.215 4.350 0.003 0.000 0.197 258 E C 0.749 177.381 176.600 0.054 0.000 0.998 258 E CA 1.067 57.502 56.400 0.059 0.000 0.830 258 E CB 0.006 29.739 29.700 0.056 0.000 0.751 258 E HN 0.436 nan 8.360 nan 0.000 0.491 259 D N -0.503 119.931 120.400 0.056 0.000 2.504 259 D HA 0.015 4.657 4.640 0.003 0.000 0.243 259 D C 0.743 177.078 176.300 0.059 0.000 1.203 259 D CA 0.241 54.274 54.000 0.055 0.000 0.847 259 D CB -0.053 40.779 40.800 0.053 0.000 0.973 259 D HN 0.109 nan 8.370 nan 0.000 0.490 260 T N -0.583 114.005 114.554 0.057 0.000 2.684 260 T HA -0.068 4.283 4.350 0.003 0.000 0.267 260 T C 1.302 176.040 174.700 0.064 0.000 1.036 260 T CA 0.937 63.071 62.100 0.057 0.000 1.148 260 T CB 0.360 69.254 68.868 0.042 0.000 0.863 260 T HN 0.069 nan 8.240 nan 0.000 0.436 261 V N 1.498 121.446 119.914 0.057 0.000 3.845 261 V HA 0.131 4.252 4.120 0.003 0.000 0.603 261 V C -0.308 175.826 176.094 0.067 0.000 1.846 261 V CA -1.082 61.264 62.300 0.076 0.000 2.544 261 V CB 0.094 31.943 31.823 0.044 0.000 1.176 261 V HN 0.490 nan 8.190 nan 0.000 0.653 262 K N 0.819 121.255 120.400 0.060 0.000 2.473 262 K HA 0.088 4.409 4.320 0.003 0.000 0.277 262 K C -0.206 176.428 176.600 0.056 0.000 1.052 262 K CA 0.550 56.869 56.287 0.052 0.000 1.114 262 K CB 0.824 33.353 32.500 0.049 0.000 0.869 262 K HN 0.558 nan 8.250 nan 0.000 0.481 263 E N 2.490 122.719 120.200 0.049 0.000 2.301 263 E HA 0.090 4.441 4.350 0.003 0.000 0.275 263 E C -0.410 176.212 176.600 0.036 0.000 1.030 263 E CA -0.501 55.928 56.400 0.049 0.000 0.852 263 E CB 0.972 30.700 29.700 0.047 0.000 1.060 263 E HN 0.619 nan 8.360 nan 0.000 0.401 264 D N 1.150 121.572 120.400 0.038 0.000 2.672 264 D HA 0.080 4.721 4.640 0.003 0.000 0.287 264 D C -0.645 175.679 176.300 0.040 0.000 1.559 264 D CA -0.059 53.962 54.000 0.034 0.000 0.796 264 D CB 0.908 41.732 40.800 0.040 0.000 1.181 264 D HN 0.437 nan 8.370 nan 0.000 0.458 265 A N 1.147 123.990 122.820 0.039 0.000 3.030 265 A HA 0.473 4.794 4.320 0.003 0.000 0.273 265 A C 1.593 179.214 177.584 0.061 0.000 1.841 265 A CA 0.376 52.441 52.037 0.047 0.000 1.479 265 A CB -0.314 18.716 19.000 0.050 0.000 1.048 265 A HN 0.246 nan 8.150 nan 0.000 0.612 266 A N 2.416 125.285 122.820 0.081 0.000 1.848 266 A HA -0.100 4.221 4.320 0.003 0.000 0.211 266 A C 0.777 178.464 177.584 0.171 0.000 1.225 266 A CA 1.509 53.636 52.037 0.150 0.000 0.637 266 A CB -0.487 18.602 19.000 0.149 0.000 0.867 266 A HN 0.665 nan 8.150 nan 0.000 0.463 267 N N 0.276 119.047 118.700 0.118 0.000 2.511 267 N HA 0.505 5.246 4.740 0.003 0.000 0.249 267 N C -1.066 174.489 175.510 0.074 0.000 0.971 267 N CA -0.276 52.827 53.050 0.088 0.000 0.938 267 N CB 1.260 39.778 38.487 0.052 0.000 1.131 267 N HN 0.202 nan 8.380 nan 0.000 0.505 268 R N 2.122 122.675 120.500 0.089 0.000 2.607 268 R HA 0.166 4.507 4.340 0.003 0.000 0.278 268 R C 0.055 176.471 176.300 0.194 0.000 1.637 268 R CA -0.309 55.855 56.100 0.107 0.000 1.325 268 R CB 0.428 30.765 30.300 0.061 0.000 1.211 268 R HN 0.715 nan 8.270 nan 0.000 0.565 269 K N 0.393 120.908 120.400 0.192 0.000 2.402 269 K HA 0.294 4.615 4.320 0.003 0.000 0.204 269 K C 0.175 176.960 176.600 0.308 0.000 1.056 269 K CA -0.193 56.244 56.287 0.250 0.000 1.069 269 K CB 0.819 33.405 32.500 0.144 0.000 0.888 269 K HN 0.130 nan 8.250 nan 0.000 0.546 270 L N 1.879 123.261 121.223 0.265 0.000 2.343 270 L HA 0.669 5.011 4.340 0.003 0.000 0.275 270 L C -0.206 176.821 176.870 0.262 0.000 1.056 270 L CA -0.807 54.159 54.840 0.210 0.000 0.804 270 L CB 1.671 43.817 42.059 0.144 0.000 1.203 270 L HN 0.224 nan 8.230 nan 0.000 0.440 271 A N 2.912 125.822 122.820 0.150 0.000 2.609 271 A HA 0.773 5.095 4.320 0.003 0.000 0.291 271 A C -1.446 176.301 177.584 0.272 0.000 1.096 271 A CA -0.784 51.366 52.037 0.189 0.000 0.684 271 A CB 1.885 20.854 19.000 -0.052 0.000 1.282 271 A HN 0.657 nan 8.150 nan 0.000 0.412 272 K N -0.242 120.354 120.400 0.327 0.000 2.385 272 K HA 0.689 5.010 4.320 0.003 0.000 0.248 272 K C -1.768 174.753 176.600 -0.131 0.000 0.955 272 K CA -0.788 55.618 56.287 0.199 0.000 0.816 272 K CB 2.519 35.044 32.500 0.041 0.000 1.250 272 K HN 0.436 nan 8.250 nan 0.000 0.434 273 L N 2.563 123.452 121.223 -0.557 0.000 2.325 273 L HA 0.448 4.790 4.340 0.003 0.000 0.281 273 L C -1.730 174.866 176.870 -0.457 0.000 1.004 273 L CA -0.275 54.147 54.840 -0.698 0.000 0.823 273 L CB 0.559 41.852 42.059 -1.277 0.000 1.236 273 L HN 0.495 nan 8.230 nan 0.000 0.415 274 Y N 3.301 123.575 120.300 -0.044 0.000 2.528 274 Y HA 0.552 5.104 4.550 0.002 0.000 0.335 274 Y C -0.055 175.830 175.900 -0.025 0.000 1.093 274 Y CA -0.610 57.491 58.100 0.002 0.000 1.134 274 Y CB 1.657 40.119 38.460 0.004 0.000 1.253 274 Y HN 0.461 nan 8.280 nan 0.000 0.478 275 K N 1.712 122.135 120.400 0.038 0.000 2.244 275 K HA 0.724 5.045 4.320 0.003 0.000 0.260 275 K C -1.937 174.554 176.600 -0.181 0.000 0.951 275 K CA -0.659 55.426 56.287 -0.336 0.000 0.826 275 K CB 1.819 34.132 32.500 -0.311 0.000 1.108 275 K HN 0.577 nan 8.250 nan 0.000 0.433 276 V N 2.307 122.074 119.914 -0.245 0.000 2.876 276 V HA 0.636 4.757 4.120 0.003 0.000 0.312 276 V C -1.616 174.417 176.094 -0.102 0.000 1.085 276 V CA -0.293 61.941 62.300 -0.111 0.000 0.945 276 V CB 2.395 34.177 31.823 -0.068 0.000 1.017 276 V HN 0.886 nan 8.190 nan 0.000 0.428 277 S N 6.128 121.797 115.700 -0.053 0.000 2.614 277 S HA 0.580 5.052 4.470 0.003 0.000 0.259 277 S C -1.242 173.347 174.600 -0.018 0.000 1.118 277 S CA -0.874 57.304 58.200 -0.037 0.000 1.065 277 S CB 0.885 64.063 63.200 -0.037 0.000 1.121 277 S HN 1.075 nan 8.310 nan 0.000 0.458 278 N N 0.551 119.243 118.700 -0.013 0.000 2.745 278 N HA 0.290 5.032 4.740 0.003 0.000 0.256 278 N C 0.601 176.107 175.510 -0.006 0.000 1.268 278 N CA -0.739 52.307 53.050 -0.007 0.000 0.887 278 N CB 0.923 39.409 38.487 -0.002 0.000 1.575 278 N HN 0.445 nan 8.380 nan 0.000 0.496 279 G N -0.126 108.670 108.800 -0.006 0.000 2.408 279 G HA2 0.296 4.258 3.960 0.003 0.000 0.215 279 G HA3 0.296 4.258 3.960 0.003 0.000 0.215 279 G C 0.793 175.689 174.900 -0.007 0.000 1.156 279 G CA 1.545 46.641 45.100 -0.007 0.000 0.793 279 G HN 1.335 nan 8.290 nan 0.000 0.535 280 A N -2.712 120.105 122.820 -0.006 0.000 2.412 280 A HA 0.302 4.623 4.320 0.003 0.000 0.218 280 A C 1.719 179.300 177.584 -0.005 0.000 2.874 280 A CA 1.024 53.058 52.037 -0.005 0.000 1.545 280 A CB -1.019 17.976 19.000 -0.009 0.000 0.293 280 A HN 0.912 nan 8.150 nan 0.000 0.533 281 G N 0.477 109.273 108.800 -0.007 0.000 2.850 281 G HA2 0.388 4.349 3.960 0.003 0.000 0.207 281 G HA3 0.388 4.349 3.960 0.003 0.000 0.207 281 G C -1.373 173.521 174.900 -0.009 0.000 1.174 281 G CA 0.679 45.773 45.100 -0.009 0.000 0.844 281 G HN 0.415 nan 8.290 nan 0.000 0.635 282 P HA 0.178 nan 4.420 nan 0.000 0.241 282 P C -0.392 176.905 177.300 -0.005 0.000 1.760 282 P CA 0.004 63.099 63.100 -0.007 0.000 1.081 282 P CB -0.093 31.603 31.700 -0.007 0.000 1.975 283 M N 3.101 122.700 119.600 -0.003 0.000 2.220 283 M HA 0.150 4.632 4.480 0.003 0.000 0.343 283 M C -0.900 175.404 176.300 0.006 0.000 1.470 283 M CA -0.197 55.106 55.300 0.005 0.000 1.161 283 M CB 0.384 32.993 32.600 0.015 0.000 1.737 283 M HN -0.127 nan 8.290 nan 0.000 0.464 284 V N 6.690 126.607 119.914 0.006 0.000 2.364 284 V HA 0.390 4.511 4.120 0.003 0.000 0.272 284 V C -0.288 175.818 176.094 0.021 0.000 1.036 284 V CA -0.644 61.661 62.300 0.009 0.000 0.880 284 V CB 1.187 33.011 31.823 0.003 0.000 0.991 284 V HN 0.630 nan 8.190 nan 0.000 0.460 285 V N 4.500 124.438 119.914 0.041 0.000 2.540 285 V HA 0.682 4.804 4.120 0.003 0.000 0.302 285 V C -0.055 176.116 176.094 0.129 0.000 1.035 285 V CA -0.387 61.962 62.300 0.083 0.000 0.873 285 V CB 2.096 33.973 31.823 0.091 0.000 0.992 285 V HN 0.971 nan 8.190 nan 0.000 0.428 286 S N 4.442 120.242 115.700 0.166 0.000 2.557 286 S HA 0.738 5.209 4.470 0.003 0.000 0.291 286 S C -0.881 173.843 174.600 0.207 0.000 1.116 286 S CA -0.706 57.592 58.200 0.162 0.000 0.992 286 S CB 1.857 65.100 63.200 0.072 0.000 1.028 286 S HN 0.575 nan 8.310 nan 0.000 0.484 287 L N 3.013 124.336 121.223 0.166 0.000 2.483 287 L HA 0.334 4.675 4.340 0.003 0.000 0.276 287 L C 0.405 177.247 176.870 -0.046 0.000 1.213 287 L CA 0.796 55.614 54.840 -0.037 0.000 0.843 287 L CB 0.736 42.776 42.059 -0.030 0.000 1.107 287 L HN 0.747 nan 8.230 nan 0.000 0.487 288 V N 2.668 122.510 119.914 -0.120 0.000 3.305 288 V HA 0.500 4.621 4.120 0.003 0.000 0.247 288 V C 0.052 176.110 176.094 -0.059 0.000 1.426 288 V CA 0.406 62.682 62.300 -0.039 0.000 1.162 288 V CB 0.394 32.239 31.823 0.038 0.000 0.961 288 V HN 0.849 nan 8.190 nan 0.000 0.449 289 A N -0.050 122.696 122.820 -0.123 0.000 2.429 289 A HA 0.604 4.926 4.320 0.003 0.000 0.289 289 A C -0.221 177.364 177.584 0.003 0.000 1.043 289 A CA -0.037 51.994 52.037 -0.011 0.000 0.722 289 A CB 1.563 20.607 19.000 0.072 0.000 1.243 289 A HN 0.057 nan 8.150 nan 0.000 0.415 290 D N 1.154 121.574 120.400 0.033 0.000 2.348 290 D HA 0.088 4.729 4.640 0.003 0.000 0.211 290 D C 0.295 176.639 176.300 0.073 0.000 0.998 290 D CA 1.088 55.104 54.000 0.026 0.000 0.873 290 D CB 0.428 41.239 40.800 0.019 0.000 0.925 290 D HN 0.676 nan 8.370 nan 0.000 0.524 291 E N -0.264 119.987 120.200 0.085 0.000 2.347 291 E HA 0.145 4.497 4.350 0.003 0.000 0.285 291 E C -1.227 175.184 176.600 -0.315 0.000 0.925 291 E CA -0.752 55.625 56.400 -0.039 0.000 0.779 291 E CB 0.888 30.577 29.700 -0.018 0.000 1.233 291 E HN 0.190 nan 8.360 nan 0.000 0.414 292 N N 2.594 120.838 118.700 -0.760 0.000 2.467 292 N HA 0.393 5.135 4.740 0.003 0.000 0.262 292 N C -2.571 172.494 175.510 -0.741 0.000 1.234 292 N CA -1.223 51.041 53.050 -1.309 0.000 0.952 292 N CB 0.637 38.266 38.487 -1.430 0.000 1.158 292 N HN 0.084 nan 8.380 nan 0.000 0.463 293 P HA 0.029 nan 4.420 nan 0.000 0.264 293 P C -0.973 176.012 177.300 -0.525 0.000 1.193 293 P CA 0.295 63.025 63.100 -0.616 0.000 0.763 293 P CB 0.184 31.694 31.700 -0.317 0.000 0.810 294 F N 1.516 121.214 119.950 -0.420 0.000 2.370 294 F HA 0.536 5.064 4.527 0.003 0.000 0.319 294 F C 1.069 176.756 175.800 -0.189 0.000 1.129 294 F CA -0.870 56.864 58.000 -0.445 0.000 1.109 294 F CB 0.200 38.660 39.000 -0.899 0.000 1.262 294 F HN 0.199 nan 8.300 nan 0.000 0.534 295 A N 0.925 123.837 122.820 0.153 0.000 2.309 295 A HA 0.287 4.609 4.320 0.003 0.000 0.298 295 A C 0.993 178.736 177.584 0.265 0.000 1.165 295 A CA -0.506 51.625 52.037 0.158 0.000 0.821 295 A CB 0.722 19.755 19.000 0.055 0.000 1.102 295 A HN 0.919 nan 8.150 nan 0.000 0.500 296 Q N 2.295 122.186 119.800 0.151 0.000 2.291 296 Q HA -0.122 4.220 4.340 0.003 0.000 0.206 296 Q C 1.614 177.449 176.000 -0.275 0.000 0.976 296 Q CA 1.925 57.602 55.803 -0.209 0.000 0.875 296 Q CB -0.273 28.122 28.738 -0.571 0.000 0.927 296 Q HN 0.964 nan 8.270 nan 0.000 0.450 297 G N 0.164 108.874 108.800 -0.150 0.000 2.422 297 G HA2 -0.212 3.749 3.960 0.003 0.000 0.218 297 G HA3 -0.212 3.749 3.960 0.003 0.000 0.218 297 G C 1.407 176.215 174.900 -0.154 0.000 1.140 297 G CA 0.573 45.587 45.100 -0.143 0.000 0.775 297 G HN 0.476 nan 8.290 nan 0.000 0.545 298 A N -0.259 122.474 122.820 -0.144 0.000 2.131 298 A HA 0.149 4.470 4.320 0.003 0.000 0.220 298 A C 0.948 178.242 177.584 -0.484 0.000 1.158 298 A CA 0.505 52.431 52.037 -0.186 0.000 0.665 298 A CB -0.202 18.705 19.000 -0.154 0.000 0.795 298 A HN 0.258 nan 8.150 nan 0.000 0.460 299 L N 1.779 122.622 121.223 -0.633 0.000 2.325 299 L HA 0.220 4.562 4.340 0.003 0.000 0.284 299 L C 0.222 176.856 176.870 -0.393 0.000 1.089 299 L CA 0.324 54.549 54.840 -1.026 0.000 0.836 299 L CB 0.373 41.719 42.059 -1.189 0.000 1.184 299 L HN 0.212 nan 8.230 nan 0.000 0.444 300 R N 2.504 122.984 120.500 -0.034 0.000 2.338 300 R HA 0.297 4.639 4.340 0.003 0.000 0.317 300 R C 0.942 177.528 176.300 0.476 0.000 0.968 300 R CA -0.375 55.893 56.100 0.279 0.000 0.849 300 R CB 1.281 31.792 30.300 0.351 0.000 1.128 300 R HN 0.501 nan 8.270 nan 0.000 0.448 301 S N 1.926 117.826 115.700 0.333 0.000 2.469 301 S HA -0.117 4.354 4.470 0.003 0.000 0.238 301 S C 0.891 175.608 174.600 0.195 0.000 0.998 301 S CA 1.290 59.654 58.200 0.274 0.000 0.957 301 S CB 0.077 63.371 63.200 0.156 0.000 0.764 301 S HN 0.509 nan 8.310 nan 0.000 0.514 302 E N 0.934 121.251 120.200 0.196 0.000 2.478 302 E HA 0.122 4.473 4.350 0.003 0.000 0.194 302 E C 0.150 176.829 176.600 0.132 0.000 1.045 302 E CA 0.361 56.838 56.400 0.128 0.000 0.868 302 E CB 0.191 29.950 29.700 0.098 0.000 0.885 302 E HN 0.463 nan 8.360 nan 0.000 0.505 303 D N -1.363 119.178 120.400 0.234 0.000 2.654 303 D HA 0.360 5.001 4.640 0.003 0.000 0.255 303 D C -0.571 175.887 176.300 0.264 0.000 1.101 303 D CA -0.664 53.429 54.000 0.155 0.000 1.116 303 D CB 1.377 42.171 40.800 -0.010 0.000 1.348 303 D HN -0.099 nan 8.370 nan 0.000 0.609 304 C N 0.567 119.909 119.300 0.072 0.000 2.455 304 C HA 0.650 5.112 4.460 0.003 0.000 0.320 304 C C -0.745 174.255 174.990 0.017 0.000 1.226 304 C CA -0.614 58.523 59.018 0.197 0.000 1.569 304 C CB -0.122 27.659 27.740 0.068 0.000 2.200 304 C HN 0.364 nan 8.230 nan 0.000 0.491 305 F N 1.943 122.084 119.950 0.318 0.000 2.579 305 F HA 0.728 5.256 4.527 0.003 0.000 0.324 305 F C 0.152 176.053 175.800 0.168 0.000 1.058 305 F CA -1.085 57.038 58.000 0.205 0.000 0.944 305 F CB 0.992 40.089 39.000 0.162 0.000 1.245 305 F HN 0.244 nan 8.300 nan 0.000 0.477 306 I N 3.478 124.184 120.570 0.227 0.000 2.439 306 I HA 0.212 4.383 4.170 0.003 0.000 0.285 306 I C -1.334 174.864 176.117 0.135 0.000 1.021 306 I CA -0.818 60.521 61.300 0.066 0.000 1.091 306 I CB 1.641 39.403 38.000 -0.397 0.000 1.242 306 I HN 0.225 nan 8.210 nan 0.000 0.439 307 L N 6.744 128.116 121.223 0.248 0.000 2.283 307 L HA 0.325 4.666 4.340 0.003 0.000 0.287 307 L C -0.454 176.561 176.870 0.242 0.000 1.073 307 L CA 0.360 55.297 54.840 0.162 0.000 0.822 307 L CB 0.635 42.858 42.059 0.273 0.000 1.186 307 L HN 0.526 nan 8.230 nan 0.000 0.436 308 D N 3.566 124.113 120.400 0.246 0.000 2.428 308 D HA 0.102 4.744 4.640 0.003 0.000 0.221 308 D C -0.108 176.400 176.300 0.348 0.000 1.123 308 D CA -0.002 54.235 54.000 0.396 0.000 0.869 308 D CB 0.319 41.535 40.800 0.693 0.000 1.032 308 D HN 0.523 nan 8.370 nan 0.000 0.506 309 H N 2.145 121.317 119.070 0.169 0.000 2.481 309 H HA 0.375 4.933 4.556 0.002 0.000 0.273 309 H C 1.578 176.939 175.328 0.054 0.000 1.145 309 H CA 0.034 56.155 56.048 0.122 0.000 0.964 309 H CB 0.223 30.104 29.762 0.198 0.000 1.722 309 H HN 0.497 nan 8.280 nan 0.000 0.573 310 G N 0.536 109.312 108.800 -0.039 0.000 2.475 310 G HA2 -0.268 3.693 3.960 0.003 0.000 0.220 310 G HA3 -0.268 3.693 3.960 0.003 0.000 0.220 310 G C 1.573 176.234 174.900 -0.398 0.000 1.125 310 G CA 0.333 45.151 45.100 -0.470 0.000 0.755 310 G HN 0.247 nan 8.290 nan 0.000 0.565 311 K N 0.373 120.642 120.400 -0.217 0.000 2.442 311 K HA -0.074 4.247 4.320 0.003 0.000 0.199 311 K C 0.872 177.352 176.600 -0.199 0.000 1.044 311 K CA 0.894 57.091 56.287 -0.150 0.000 0.941 311 K CB -0.012 32.461 32.500 -0.046 0.000 0.759 311 K HN 0.328 nan 8.250 nan 0.000 0.472 312 D N -0.626 119.570 120.400 -0.340 0.000 2.623 312 D HA 0.150 4.791 4.640 0.003 0.000 0.252 312 D C 0.026 176.241 176.300 -0.143 0.000 1.294 312 D CA 0.101 53.940 54.000 -0.267 0.000 0.824 312 D CB 0.208 40.721 40.800 -0.478 0.000 1.070 312 D HN 0.210 nan 8.370 nan 0.000 0.487 313 G N 2.123 110.821 108.800 -0.170 0.000 2.338 313 G HA2 -0.300 3.661 3.960 0.003 0.000 0.296 313 G HA3 -0.300 3.661 3.960 0.003 0.000 0.296 313 G C 0.162 175.018 174.900 -0.072 0.000 1.040 313 G CA 0.826 45.847 45.100 -0.131 0.000 1.004 313 G HN 0.425 nan 8.290 nan 0.000 0.509 314 K N -0.272 120.089 120.400 -0.065 0.000 2.575 314 K HA 0.549 4.871 4.320 0.003 0.000 0.255 314 K C -0.343 176.263 176.600 0.009 0.000 0.953 314 K CA -1.025 55.249 56.287 -0.023 0.000 0.840 314 K CB 1.341 33.885 32.500 0.074 0.000 1.303 314 K HN 0.707 nan 8.250 nan 0.000 0.438 315 I N 0.259 120.785 120.570 -0.073 0.000 2.608 315 I HA 0.615 4.786 4.170 0.003 0.000 0.295 315 I C -1.404 174.637 176.117 -0.125 0.000 1.049 315 I CA -0.945 60.379 61.300 0.040 0.000 1.063 315 I CB 1.535 39.634 38.000 0.165 0.000 1.248 315 I HN 0.340 nan 8.210 nan 0.000 0.424 316 F N 4.291 124.351 119.950 0.184 0.000 2.458 316 F HA 0.631 5.159 4.527 0.002 0.000 0.336 316 F C -0.111 175.785 175.800 0.160 0.000 1.114 316 F CA -0.949 57.178 58.000 0.213 0.000 0.987 316 F CB 2.171 41.424 39.000 0.422 0.000 1.130 316 F HN 0.153 nan 8.300 nan 0.000 0.458 317 V N 2.705 122.771 119.914 0.253 0.000 2.370 317 V HA 0.189 4.311 4.120 0.003 0.000 0.283 317 V C -1.167 175.054 176.094 0.211 0.000 1.023 317 V CA -0.891 61.519 62.300 0.184 0.000 0.857 317 V CB 1.325 33.195 31.823 0.078 0.000 0.985 317 V HN 0.761 nan 8.190 nan 0.000 0.443 318 W N 5.819 127.166 121.300 0.078 0.000 2.429 318 W HA 0.539 5.201 4.660 0.002 0.000 0.314 318 W C -0.092 176.476 176.519 0.082 0.000 1.062 318 W CA -0.789 56.565 57.345 0.015 0.000 1.211 318 W CB 1.228 30.750 29.460 0.104 0.000 1.305 318 W HN 0.410 nan 8.180 nan 0.000 0.476 319 K N 4.814 124.936 120.400 -0.463 0.000 2.293 319 K HA 0.471 4.793 4.320 0.003 0.000 0.267 319 K C 0.440 176.568 176.600 -0.786 0.000 1.010 319 K CA -0.769 55.277 56.287 -0.402 0.000 0.875 319 K CB 1.424 33.762 32.500 -0.271 0.000 1.106 319 K HN 0.656 nan 8.250 nan 0.000 0.450 320 G N 1.954 110.485 108.800 -0.449 0.000 2.442 320 G HA2 -0.054 3.908 3.960 0.003 0.000 0.249 320 G HA3 -0.054 3.908 3.960 0.003 0.000 0.249 320 G C 0.796 175.562 174.900 -0.223 0.000 1.263 320 G CA -0.489 44.393 45.100 -0.364 0.000 0.846 320 G HN 0.794 nan 8.290 nan 0.000 0.555 321 K N 0.432 120.723 120.400 -0.182 0.000 2.442 321 K HA -0.112 4.209 4.320 0.003 0.000 0.198 321 K C 1.228 177.800 176.600 -0.046 0.000 1.044 321 K CA 1.282 57.506 56.287 -0.106 0.000 0.948 321 K CB 0.162 32.622 32.500 -0.068 0.000 0.762 321 K HN 0.555 nan 8.250 nan 0.000 0.472 322 Q N 0.457 120.249 119.800 -0.012 0.000 2.155 322 Q HA 0.297 4.639 4.340 0.003 0.000 0.220 322 Q C -0.417 175.591 176.000 0.013 0.000 0.819 322 Q CA -0.489 55.319 55.803 0.008 0.000 1.032 322 Q CB 1.405 30.161 28.738 0.030 0.000 1.151 322 Q HN 0.378 nan 8.270 nan 0.000 0.487 323 A N 1.177 123.997 122.820 -0.001 0.000 2.351 323 A HA 0.145 4.467 4.320 0.003 0.000 0.257 323 A C -0.007 177.573 177.584 -0.007 0.000 1.087 323 A CA -0.332 51.708 52.037 0.005 0.000 0.798 323 A CB 0.222 19.220 19.000 -0.004 0.000 1.033 323 A HN 0.433 nan 8.150 nan 0.000 0.488 324 N N 1.018 119.717 118.700 -0.002 0.000 2.395 324 N HA -0.018 4.724 4.740 0.003 0.000 0.246 324 N C 1.244 176.747 175.510 -0.011 0.000 1.246 324 N CA 0.124 53.171 53.050 -0.005 0.000 0.879 324 N CB 0.255 38.741 38.487 -0.003 0.000 1.098 324 N HN 0.775 nan 8.380 nan 0.000 0.444 325 M N 2.794 122.388 119.600 -0.010 0.000 2.200 325 M HA -0.130 4.351 4.480 0.003 0.000 0.265 325 M C 1.296 177.589 176.300 -0.012 0.000 1.066 325 M CA 1.499 56.792 55.300 -0.012 0.000 1.127 325 M CB -0.062 32.533 32.600 -0.008 0.000 1.379 325 M HN 0.638 nan 8.290 nan 0.000 0.420 326 E N 0.839 121.034 120.200 -0.009 0.000 2.058 326 E HA -0.255 4.096 4.350 0.003 0.000 0.194 326 E C 1.667 178.261 176.600 -0.011 0.000 0.997 326 E CA 1.967 58.362 56.400 -0.009 0.000 0.801 326 E CB -0.230 29.466 29.700 -0.007 0.000 0.746 326 E HN 0.793 nan 8.360 nan 0.000 0.450 327 E N 0.488 120.681 120.200 -0.011 0.000 2.478 327 E HA -0.032 4.320 4.350 0.003 0.000 0.194 327 E C 2.018 178.608 176.600 -0.016 0.000 1.045 327 E CA -0.047 56.346 56.400 -0.012 0.000 0.868 327 E CB 0.067 29.761 29.700 -0.010 0.000 0.885 327 E HN 0.027 nan 8.360 nan 0.000 0.505 328 R N 1.842 122.329 120.500 -0.021 0.000 2.062 328 R HA -0.004 4.338 4.340 0.003 0.000 0.226 328 R C 1.652 177.935 176.300 -0.028 0.000 1.125 328 R CA 1.106 57.187 56.100 -0.032 0.000 0.966 328 R CB 0.074 30.351 30.300 -0.038 0.000 0.861 328 R HN 0.001 nan 8.270 nan 0.000 0.433 329 K N -0.316 120.071 120.400 -0.022 0.000 2.555 329 K HA 0.010 4.332 4.320 0.003 0.000 0.193 329 K C 0.931 177.518 176.600 -0.021 0.000 1.032 329 K CA 0.673 56.948 56.287 -0.021 0.000 1.004 329 K CB 0.385 32.877 32.500 -0.014 0.000 0.804 329 K HN 0.192 nan 8.250 nan 0.000 0.496 330 A N -0.084 122.726 122.820 -0.017 0.000 2.470 330 A HA 0.356 4.677 4.320 0.003 0.000 0.251 330 A C 1.774 179.356 177.584 -0.004 0.000 1.245 330 A CA 0.295 52.325 52.037 -0.012 0.000 0.932 330 A CB 0.131 19.125 19.000 -0.010 0.000 1.037 330 A HN 0.200 nan 8.150 nan 0.000 0.522 331 A N 0.148 122.964 122.820 -0.007 0.000 1.917 331 A HA -0.112 4.210 4.320 0.003 0.000 0.219 331 A C 1.888 179.486 177.584 0.022 0.000 1.182 331 A CA 1.806 53.845 52.037 0.004 0.000 0.633 331 A CB -0.430 18.564 19.000 -0.009 0.000 0.819 331 A HN 0.422 nan 8.150 nan 0.000 0.448 332 L N -0.305 120.931 121.223 0.022 0.000 2.017 332 L HA -0.117 4.224 4.340 0.003 0.000 0.208 332 L C 2.402 179.309 176.870 0.062 0.000 1.073 332 L CA 2.330 57.204 54.840 0.057 0.000 0.745 332 L CB -0.782 41.296 42.059 0.032 0.000 0.894 332 L HN 0.500 nan 8.230 nan 0.000 0.432 333 K N -1.314 119.105 120.400 0.032 0.000 2.057 333 K HA -0.148 4.174 4.320 0.003 0.000 0.206 333 K C 1.913 178.538 176.600 0.042 0.000 1.050 333 K CA 1.697 58.003 56.287 0.031 0.000 0.935 333 K CB -0.024 32.480 32.500 0.008 0.000 0.715 333 K HN 0.279 nan 8.250 nan 0.000 0.439 334 T N 0.811 115.387 114.554 0.038 0.000 2.720 334 T HA -0.175 4.177 4.350 0.003 0.000 0.268 334 T C 1.829 176.583 174.700 0.090 0.000 1.037 334 T CA 1.417 63.546 62.100 0.049 0.000 1.144 334 T CB -0.301 68.584 68.868 0.028 0.000 0.864 334 T HN 0.403 nan 8.240 nan 0.000 0.444 335 A N 1.139 124.012 122.820 0.087 0.000 1.972 335 A HA -0.066 4.255 4.320 0.003 0.000 0.219 335 A C 2.604 180.291 177.584 0.173 0.000 1.169 335 A CA 1.801 53.915 52.037 0.129 0.000 0.635 335 A CB -0.704 18.355 19.000 0.098 0.000 0.810 335 A HN 0.444 nan 8.150 nan 0.000 0.446 336 S N 0.297 116.065 115.700 0.113 0.000 2.355 336 S HA -0.125 4.346 4.470 0.003 0.000 0.222 336 S C 1.561 176.199 174.600 0.064 0.000 1.031 336 S CA 1.357 59.606 58.200 0.082 0.000 0.993 336 S CB -0.407 62.826 63.200 0.055 0.000 0.859 336 S HN 0.618 nan 8.310 nan 0.000 0.453 337 D N 0.762 121.199 120.400 0.062 0.000 2.178 337 D HA -0.057 4.585 4.640 0.003 0.000 0.201 337 D C 1.483 177.796 176.300 0.021 0.000 0.980 337 D CA 0.642 54.658 54.000 0.027 0.000 0.842 337 D CB -0.333 40.484 40.800 0.029 0.000 0.948 337 D HN 0.374 nan 8.370 nan 0.000 0.472 338 F N 1.104 121.021 119.950 -0.055 0.000 2.146 338 F HA -0.022 4.507 4.527 0.002 0.000 0.298 338 F C 2.049 177.785 175.800 -0.106 0.000 1.096 338 F CA 0.911 58.857 58.000 -0.090 0.000 1.275 338 F CB -0.120 38.848 39.000 -0.053 0.000 1.008 338 F HN -0.142 nan 8.300 nan 0.000 0.480 339 I N -0.771 119.812 120.570 0.022 0.000 2.493 339 I HA -0.260 3.911 4.170 0.003 0.000 0.254 339 I C 2.231 178.238 176.117 -0.183 0.000 1.160 339 I CA 1.003 62.292 61.300 -0.019 0.000 1.445 339 I CB -0.501 37.578 38.000 0.132 0.000 1.086 339 I HN 0.113 nan 8.210 nan 0.000 0.433 340 S N 0.509 116.113 115.700 -0.161 0.000 2.336 340 S HA -0.154 4.318 4.470 0.003 0.000 0.216 340 S C 1.973 176.423 174.600 -0.250 0.000 1.032 340 S CA 0.899 59.002 58.200 -0.162 0.000 0.973 340 S CB -0.184 62.957 63.200 -0.099 0.000 0.888 340 S HN 0.307 nan 8.310 nan 0.000 0.455 341 K N 0.349 120.583 120.400 -0.277 0.000 2.286 341 K HA -0.025 4.297 4.320 0.003 0.000 0.203 341 K C 1.221 177.546 176.600 -0.458 0.000 1.045 341 K CA 0.982 57.084 56.287 -0.309 0.000 0.935 341 K CB -0.038 32.299 32.500 -0.272 0.000 0.737 341 K HN 0.222 nan 8.250 nan 0.000 0.460 342 M N 0.399 119.580 119.600 -0.699 0.000 2.428 342 M HA -0.001 4.480 4.480 0.003 0.000 0.239 342 M C -0.233 175.577 176.300 -0.817 0.000 1.121 342 M CA 0.334 55.064 55.300 -0.950 0.000 1.019 342 M CB -0.390 31.222 32.600 -1.647 0.000 1.485 342 M HN 0.083 nan 8.290 nan 0.000 0.484 343 D N 1.195 121.298 120.400 -0.496 0.000 2.737 343 D HA -0.231 4.411 4.640 0.003 0.000 0.238 343 D C -1.411 174.796 176.300 -0.155 0.000 1.157 343 D CA 0.587 54.426 54.000 -0.267 0.000 0.694 343 D CB -0.720 39.967 40.800 -0.189 0.000 1.021 343 D HN 0.174 nan 8.370 nan 0.000 0.420 344 Y N -0.610 119.615 120.300 -0.124 0.000 2.534 344 Y HA 0.589 5.140 4.550 0.003 0.000 0.329 344 Y C -1.462 174.376 175.900 -0.103 0.000 1.154 344 Y CA -2.673 55.367 58.100 -0.101 0.000 1.192 344 Y CB 0.194 38.601 38.460 -0.087 0.000 1.275 344 Y HN -0.025 nan 8.280 nan 0.000 0.491 345 P HA 0.131 nan 4.420 nan 0.000 0.268 345 P C 0.198 177.444 177.300 -0.092 0.000 1.205 345 P CA -0.095 62.964 63.100 -0.069 0.000 0.771 345 P CB 0.816 32.422 31.700 -0.156 0.000 0.858 346 K N 1.758 122.087 120.400 -0.119 0.000 2.152 346 K HA -0.183 4.138 4.320 0.003 0.000 0.206 346 K C 1.612 178.109 176.600 -0.171 0.000 1.048 346 K CA 1.171 57.387 56.287 -0.117 0.000 0.933 346 K CB -0.125 32.307 32.500 -0.114 0.000 0.721 346 K HN 0.572 nan 8.250 nan 0.000 0.447 347 Q N 0.786 120.413 119.800 -0.288 0.000 2.515 347 Q HA -0.008 4.334 4.340 0.003 0.000 0.214 347 Q C -0.101 175.740 176.000 -0.266 0.000 0.971 347 Q CA 0.575 56.155 55.803 -0.373 0.000 0.952 347 Q CB -0.821 27.390 28.738 -0.880 0.000 0.999 347 Q HN 0.022 nan 8.270 nan 0.000 0.524 348 T N 2.993 117.436 114.554 -0.185 0.000 2.934 348 T HA 0.011 4.362 4.350 0.003 0.000 0.306 348 T C 0.079 174.729 174.700 -0.083 0.000 1.042 348 T CA 0.184 62.210 62.100 -0.122 0.000 1.145 348 T CB 0.523 69.347 68.868 -0.074 0.000 0.982 348 T HN 0.287 nan 8.240 nan 0.000 0.544 349 Q N 1.662 121.425 119.800 -0.061 0.000 2.313 349 Q HA 0.393 4.735 4.340 0.003 0.000 0.266 349 Q C -0.655 175.304 176.000 -0.069 0.000 0.989 349 Q CA -0.293 55.480 55.803 -0.050 0.000 0.890 349 Q CB 0.805 29.532 28.738 -0.018 0.000 1.200 349 Q HN 0.401 nan 8.270 nan 0.000 0.396 350 V N 2.028 121.910 119.914 -0.052 0.000 2.540 350 V HA 0.467 4.588 4.120 0.003 0.000 0.302 350 V C -0.552 175.527 176.094 -0.024 0.000 1.035 350 V CA -0.626 61.648 62.300 -0.043 0.000 0.873 350 V CB 2.125 33.954 31.823 0.010 0.000 0.992 350 V HN 0.693 nan 8.190 nan 0.000 0.428 351 S N 2.665 118.315 115.700 -0.083 0.000 2.557 351 S HA 0.668 5.139 4.470 0.003 0.000 0.291 351 S C -0.618 173.966 174.600 -0.027 0.000 1.116 351 S CA -0.632 57.528 58.200 -0.067 0.000 0.992 351 S CB 1.945 65.127 63.200 -0.028 0.000 1.028 351 S HN 0.951 nan 8.310 nan 0.000 0.484 352 V N 3.039 122.909 119.914 -0.074 0.000 2.448 352 V HA 0.750 4.872 4.120 0.003 0.000 0.295 352 V C -0.978 175.051 176.094 -0.108 0.000 1.025 352 V CA -0.699 61.574 62.300 -0.045 0.000 0.859 352 V CB 0.746 32.548 31.823 -0.035 0.000 0.988 352 V HN 0.761 nan 8.190 nan 0.000 0.431 353 L N 5.938 127.080 121.223 -0.134 0.000 2.342 353 L HA 0.772 5.114 4.340 0.003 0.000 0.271 353 L C -2.530 174.138 176.870 -0.337 0.000 1.008 353 L CA -1.985 52.724 54.840 -0.219 0.000 0.818 353 L CB 2.574 44.463 42.059 -0.284 0.000 1.296 353 L HN 0.413 nan 8.230 nan 0.000 0.427 354 P HA 0.180 nan 4.420 nan 0.000 0.293 354 P C -1.021 176.024 177.300 -0.425 0.000 1.291 354 P CA -0.599 62.283 63.100 -0.363 0.000 0.867 354 P CB 1.595 33.180 31.700 -0.191 0.000 1.074 355 E N 1.245 121.083 120.200 -0.603 0.000 2.529 355 E HA 0.162 4.513 4.350 0.003 0.000 0.259 355 E C 1.021 177.581 176.600 -0.066 0.000 0.966 355 E CA 1.093 57.277 56.400 -0.360 0.000 0.937 355 E CB -0.577 28.910 29.700 -0.355 0.000 0.923 355 E HN 0.805 nan 8.360 nan 0.000 0.468 356 G N 2.798 111.662 108.800 0.108 0.000 2.217 356 G HA2 -0.254 3.707 3.960 0.003 0.000 0.246 356 G HA3 -0.254 3.707 3.960 0.003 0.000 0.246 356 G C 0.589 175.538 174.900 0.081 0.000 0.990 356 G CA 0.114 45.279 45.100 0.108 0.000 0.627 356 G HN 0.895 nan 8.290 nan 0.000 0.522 357 G N 0.239 109.057 108.800 0.030 0.000 3.993 357 G HA2 0.543 4.505 3.960 0.003 0.000 0.294 357 G HA3 0.543 4.505 3.960 0.003 0.000 0.294 357 G C 0.066 174.945 174.900 -0.035 0.000 1.043 357 G CA 0.197 45.317 45.100 0.034 0.000 0.839 357 G HN 0.445 nan 8.290 nan 0.000 0.516 358 E N 1.475 121.638 120.200 -0.061 0.000 2.413 358 E HA 0.350 4.702 4.350 0.003 0.000 0.263 358 E C 1.013 177.426 176.600 -0.312 0.000 1.015 358 E CA 0.148 56.430 56.400 -0.197 0.000 0.916 358 E CB 0.737 30.330 29.700 -0.178 0.000 0.947 358 E HN 0.300 nan 8.360 nan 0.000 0.440 359 T N -0.294 114.023 114.554 -0.395 0.000 2.874 359 T HA 0.268 4.620 4.350 0.003 0.000 0.281 359 T C -1.876 172.648 174.700 -0.293 0.000 0.994 359 T CA -1.931 59.832 62.100 -0.561 0.000 1.015 359 T CB 1.236 69.758 68.868 -0.576 0.000 1.028 359 T HN 0.102 nan 8.240 nan 0.000 0.523 360 P HA -0.002 nan 4.420 nan 0.000 0.215 360 P C 1.725 178.933 177.300 -0.152 0.000 1.153 360 P CA 0.857 63.832 63.100 -0.208 0.000 0.853 360 P CB -0.082 31.555 31.700 -0.105 0.000 0.788 361 L N -2.769 118.441 121.223 -0.021 0.000 2.131 361 L HA -0.177 4.165 4.340 0.003 0.000 0.210 361 L C 2.321 179.148 176.870 -0.072 0.000 1.092 361 L CA 1.290 56.164 54.840 0.057 0.000 0.759 361 L CB -0.628 41.612 42.059 0.302 0.000 0.903 361 L HN -0.021 nan 8.230 nan 0.000 0.435 362 F N 0.638 120.395 119.950 -0.321 0.000 2.149 362 F HA -0.087 4.441 4.527 0.002 0.000 0.294 362 F C 2.646 178.328 175.800 -0.196 0.000 1.095 362 F CA 1.083 58.793 58.000 -0.483 0.000 1.276 362 F CB -0.127 38.592 39.000 -0.469 0.000 1.023 362 F HN -0.212 nan 8.300 nan 0.000 0.480 363 R N 0.553 120.833 120.500 -0.367 0.000 2.103 363 R HA -0.252 4.090 4.340 0.003 0.000 0.242 363 R C 2.316 178.510 176.300 -0.175 0.000 1.142 363 R CA 1.908 57.671 56.100 -0.562 0.000 0.960 363 R CB -0.831 28.997 30.300 -0.787 0.000 0.858 363 R HN 0.580 nan 8.270 nan 0.000 0.439 364 Q N -0.165 119.489 119.800 -0.244 0.000 2.376 364 Q HA -0.184 4.157 4.340 0.003 0.000 0.211 364 Q C 1.009 176.831 176.000 -0.296 0.000 0.986 364 Q CA 1.520 57.189 55.803 -0.223 0.000 0.886 364 Q CB -0.325 28.235 28.738 -0.296 0.000 0.927 364 Q HN 0.391 nan 8.270 nan 0.000 0.457 365 F N -0.308 119.556 119.950 -0.143 0.000 2.797 365 F HA 0.246 4.774 4.527 0.003 0.000 0.302 365 F C -0.016 175.508 175.800 -0.460 0.000 1.130 365 F CA -0.332 57.450 58.000 -0.363 0.000 1.387 365 F CB 0.418 39.129 39.000 -0.482 0.000 1.107 365 F HN -0.055 nan 8.300 nan 0.000 0.577 366 F N -0.039 119.927 119.950 0.027 0.000 2.492 366 F HA 0.355 4.884 4.527 0.002 0.000 0.327 366 F C 1.272 177.111 175.800 0.066 0.000 1.079 366 F CA -1.689 56.369 58.000 0.096 0.000 0.967 366 F CB 0.839 40.000 39.000 0.269 0.000 1.169 366 F HN -0.393 nan 8.300 nan 0.000 0.472 367 K N 1.447 121.957 120.400 0.183 0.000 1.976 367 K HA -0.241 4.080 4.320 0.003 0.000 0.233 367 K C -0.156 176.544 176.600 0.167 0.000 1.032 367 K CA 1.809 58.168 56.287 0.119 0.000 1.032 367 K CB -0.493 32.061 32.500 0.089 0.000 0.733 367 K HN 0.603 nan 8.250 nan 0.000 0.448 368 N N -0.594 118.206 118.700 0.166 0.000 2.664 368 N HA 0.049 4.790 4.740 0.003 0.000 0.257 368 N C -1.319 174.285 175.510 0.157 0.000 1.108 368 N CA -0.247 52.902 53.050 0.165 0.000 0.822 368 N CB 0.605 39.160 38.487 0.114 0.000 1.199 368 N HN 0.258 nan 8.380 nan 0.000 0.529 369 W N 3.682 125.001 121.300 0.032 0.000 2.446 369 W HA 0.230 4.891 4.660 0.003 0.000 0.316 369 W C -0.709 175.792 176.519 -0.030 0.000 1.376 369 W CA -0.092 57.231 57.345 -0.036 0.000 1.300 369 W CB 0.254 29.660 29.460 -0.090 0.000 1.351 369 W HN 0.321 nan 8.180 nan 0.000 0.530 370 R N 4.577 124.972 120.500 -0.174 0.000 2.409 370 R HA 0.166 4.508 4.340 0.003 0.000 0.313 370 R C -0.721 175.502 176.300 -0.127 0.000 0.953 370 R CA -0.828 55.240 56.100 -0.053 0.000 0.849 370 R CB 1.690 31.958 30.300 -0.053 0.000 1.171 370 R HN 0.251 nan 8.270 nan 0.000 0.458 371 D N 5.203 125.635 120.400 0.053 0.000 2.325 371 D HA 0.065 4.706 4.640 0.003 0.000 0.251 371 D C -1.604 174.707 176.300 0.019 0.000 1.196 371 D CA -1.351 52.688 54.000 0.065 0.000 0.866 371 D CB 1.436 42.340 40.800 0.173 0.000 1.101 371 D HN 0.279 nan 8.370 nan 0.000 0.476 372 P HA 0.062 nan 4.420 nan 0.000 0.249 372 P C -0.116 177.190 177.300 0.011 0.000 1.686 372 P CA 0.417 63.510 63.100 -0.011 0.000 0.873 372 P CB 0.313 31.996 31.700 -0.030 0.000 1.828 373 D N 0.076 120.491 120.400 0.025 0.000 3.783 373 D HA -0.016 4.626 4.640 0.003 0.000 0.249 373 D C 0.036 176.357 176.300 0.035 0.000 1.271 373 D CA 0.046 54.062 54.000 0.027 0.000 0.818 373 D CB 0.016 40.834 40.800 0.030 0.000 1.715 373 D HN -0.004 nan 8.370 nan 0.000 0.497 374 Q N -0.237 119.587 119.800 0.039 0.000 2.086 374 Q HA 0.215 4.557 4.340 0.003 0.000 0.220 374 Q C 1.109 177.132 176.000 0.038 0.000 0.792 374 Q CA 0.059 55.888 55.803 0.043 0.000 1.062 374 Q CB 1.046 29.821 28.738 0.062 0.000 1.198 374 Q HN 0.082 nan 8.270 nan 0.000 0.466 375 T N 0.144 114.717 114.554 0.031 0.000 2.985 375 T HA 0.018 4.370 4.350 0.003 0.000 0.266 375 T C 0.769 175.485 174.700 0.026 0.000 1.076 375 T CA 1.015 63.132 62.100 0.029 0.000 1.135 375 T CB 0.492 69.373 68.868 0.022 0.000 0.890 375 T HN 0.125 nan 8.240 nan 0.000 0.480 376 E N -0.246 119.967 120.200 0.023 0.000 2.586 376 E HA 0.583 4.934 4.350 0.003 0.000 0.232 376 E C 0.535 177.147 176.600 0.020 0.000 0.854 376 E CA -0.271 56.141 56.400 0.020 0.000 0.938 376 E CB 0.881 30.590 29.700 0.015 0.000 1.518 376 E HN 0.281 nan 8.360 nan 0.000 0.400 377 G N 0.059 108.868 108.800 0.016 0.000 2.829 377 G HA2 -0.221 3.740 3.960 0.003 0.000 0.628 377 G HA3 -0.221 3.740 3.960 0.003 0.000 0.628 377 G C -0.886 174.022 174.900 0.014 0.000 1.412 377 G CA -0.423 44.685 45.100 0.014 0.000 0.864 377 G HN 0.246 nan 8.290 nan 0.000 0.544 378 L N 1.850 123.078 121.223 0.008 0.000 2.287 378 L HA 0.606 4.947 4.340 0.003 0.000 0.287 378 L C 1.393 178.264 176.870 0.001 0.000 1.022 378 L CA 0.412 55.255 54.840 0.005 0.000 0.814 378 L CB 0.828 42.886 42.059 -0.002 0.000 1.217 378 L HN 2.243 nan 8.230 nan 0.000 0.420 379 G N 3.289 112.092 108.800 0.004 0.000 2.633 379 G HA2 -0.255 3.707 3.960 0.003 0.000 0.263 379 G HA3 -0.255 3.707 3.960 0.003 0.000 0.263 379 G C -0.457 174.446 174.900 0.006 0.000 1.310 379 G CA -0.268 44.831 45.100 -0.001 0.000 0.914 379 G HN 0.486 nan 8.290 nan 0.000 0.569 380 L N -0.923 120.302 121.223 0.004 0.000 2.391 380 L HA 0.678 5.020 4.340 0.003 0.000 0.266 380 L C 2.170 179.057 176.870 0.029 0.000 1.035 380 L CA -0.387 54.466 54.840 0.023 0.000 0.877 380 L CB 1.226 43.298 42.059 0.022 0.000 1.504 380 L HN 0.943 nan 8.230 nan 0.000 0.503 381 A N -0.884 121.970 122.820 0.057 0.000 2.167 381 A HA -0.013 4.308 4.320 0.003 0.000 0.214 381 A C 0.077 177.726 177.584 0.108 0.000 1.151 381 A CA 1.068 53.144 52.037 0.066 0.000 0.735 381 A CB -0.223 18.825 19.000 0.081 0.000 0.802 381 A HN 0.527 nan 8.150 nan 0.000 0.467 382 Y N -1.970 118.310 120.300 -0.034 0.000 2.524 382 Y HA 0.567 5.118 4.550 0.002 0.000 0.347 382 Y C -1.461 174.414 175.900 -0.042 0.000 1.005 382 Y CA -1.466 56.615 58.100 -0.031 0.000 1.025 382 Y CB 1.897 40.345 38.460 -0.021 0.000 1.275 382 Y HN 0.030 nan 8.280 nan 0.000 0.460 383 L N 4.244 125.227 121.223 -0.399 0.000 2.446 383 L HA 0.518 4.859 4.340 0.003 0.000 0.268 383 L C -0.990 175.706 176.870 -0.291 0.000 0.975 383 L CA -0.227 54.476 54.840 -0.229 0.000 0.848 383 L CB 1.807 43.739 42.059 -0.212 0.000 1.225 383 L HN 0.621 nan 8.230 nan 0.000 0.410 384 S N 2.433 118.109 115.700 -0.040 0.000 2.575 384 S HA -0.000 4.471 4.470 0.003 0.000 0.295 384 S C 1.446 176.008 174.600 -0.064 0.000 1.267 384 S CA 0.309 58.552 58.200 0.072 0.000 1.074 384 S CB 0.930 64.195 63.200 0.107 0.000 0.829 384 S HN 0.801 nan 8.310 nan 0.000 0.497 385 S N 2.142 117.881 115.700 0.065 0.000 2.387 385 S HA -0.216 4.255 4.470 0.003 0.000 0.230 385 S C 1.590 176.209 174.600 0.031 0.000 1.035 385 S CA 1.883 60.119 58.200 0.060 0.000 1.014 385 S CB -0.481 62.844 63.200 0.209 0.000 0.836 385 S HN 0.988 nan 8.310 nan 0.000 0.466 386 H N 0.137 119.151 119.070 -0.094 0.000 2.563 386 H HA 0.232 4.790 4.556 0.002 0.000 0.272 386 H C 1.185 176.334 175.328 -0.299 0.000 1.005 386 H CA 1.040 56.980 56.048 -0.181 0.000 1.171 386 H CB -0.387 29.187 29.762 -0.314 0.000 1.351 386 H HN 0.612 nan 8.280 nan 0.000 0.602 387 I N -4.325 115.863 120.570 -0.636 0.000 4.620 387 I HA 0.542 4.713 4.170 0.003 0.000 0.347 387 I C 1.641 177.397 176.117 -0.602 0.000 1.302 387 I CA -0.074 60.777 61.300 -0.748 0.000 1.277 387 I CB 0.463 38.085 38.000 -0.629 0.000 1.566 387 I HN 0.149 nan 8.210 nan 0.000 0.547 388 A N 2.035 124.618 122.820 -0.394 0.000 2.076 388 A HA -0.212 4.109 4.320 0.003 0.000 0.220 388 A C 1.944 179.415 177.584 -0.189 0.000 1.160 388 A CA 2.176 54.074 52.037 -0.231 0.000 0.653 388 A CB -1.229 17.692 19.000 -0.132 0.000 0.801 388 A HN 0.862 nan 8.150 nan 0.000 0.455 389 H N -2.534 116.477 119.070 -0.099 0.000 2.526 389 H HA 0.485 5.042 4.556 0.002 0.000 0.274 389 H C -0.228 175.067 175.328 -0.055 0.000 0.999 389 H CA 0.044 56.047 56.048 -0.074 0.000 1.157 389 H CB -0.613 29.104 29.762 -0.076 0.000 1.407 389 H HN 0.074 nan 8.280 nan 0.000 0.568 390 V N 1.983 121.698 119.914 -0.332 0.000 2.406 390 V HA 0.084 4.205 4.120 0.003 0.000 0.272 390 V C 0.277 176.327 176.094 -0.074 0.000 1.043 390 V CA -0.726 61.483 62.300 -0.153 0.000 0.915 390 V CB 1.259 32.981 31.823 -0.167 0.000 0.988 390 V HN 0.463 nan 8.190 nan 0.000 0.466 391 E N 4.532 124.714 120.200 -0.031 0.000 2.338 391 E HA 0.239 4.590 4.350 0.003 0.000 0.272 391 E C -0.302 176.280 176.600 -0.029 0.000 1.029 391 E CA -0.575 55.810 56.400 -0.025 0.000 0.872 391 E CB 0.728 30.420 29.700 -0.013 0.000 1.015 391 E HN 0.383 nan 8.360 nan 0.000 0.417 392 R N 2.418 122.908 120.500 -0.017 0.000 2.308 392 R HA 0.129 4.471 4.340 0.003 0.000 0.325 392 R C -0.595 175.717 176.300 0.020 0.000 1.161 392 R CA -0.363 55.735 56.100 -0.004 0.000 1.022 392 R CB 0.307 30.613 30.300 0.009 0.000 1.091 392 R HN 0.276 nan 8.270 nan 0.000 0.497 393 V N 5.784 125.711 119.914 0.021 0.000 2.385 393 V HA 0.302 4.423 4.120 0.003 0.000 0.269 393 V C -1.847 174.357 176.094 0.184 0.000 1.043 393 V CA -2.047 60.285 62.300 0.054 0.000 0.906 393 V CB 1.237 33.069 31.823 0.014 0.000 0.995 393 V HN 0.525 nan 8.190 nan 0.000 0.467 394 P HA 0.109 nan 4.420 nan 0.000 0.272 394 P C -0.622 176.703 177.300 0.042 0.000 1.230 394 P CA -0.290 62.918 63.100 0.181 0.000 0.788 394 P CB 0.619 32.367 31.700 0.081 0.000 0.949 395 F N 1.575 121.320 119.950 -0.342 0.000 2.495 395 F HA 0.187 4.716 4.527 0.003 0.000 0.365 395 F C 0.548 176.241 175.800 -0.179 0.000 1.090 395 F CA 0.600 58.342 58.000 -0.429 0.000 1.235 395 F CB 0.320 38.898 39.000 -0.703 0.000 1.119 395 F HN 0.205 nan 8.300 nan 0.000 0.562 396 D N 5.214 125.088 120.400 -0.877 0.000 2.323 396 D HA 0.237 4.879 4.640 0.003 0.000 0.242 396 D C 0.525 176.422 176.300 -0.671 0.000 1.347 396 D CA 0.026 53.724 54.000 -0.503 0.000 0.988 396 D CB 1.660 42.288 40.800 -0.287 0.000 1.314 396 D HN 0.737 nan 8.370 nan 0.000 0.564 397 A N 2.930 125.487 122.820 -0.438 0.000 1.971 397 A HA -0.206 4.115 4.320 0.003 0.000 0.222 397 A C 2.073 179.589 177.584 -0.113 0.000 1.182 397 A CA 2.284 54.234 52.037 -0.145 0.000 0.649 397 A CB -0.238 18.873 19.000 0.185 0.000 0.818 397 A HN 0.589 nan 8.150 nan 0.000 0.458 398 A N -1.079 121.674 122.820 -0.112 0.000 2.014 398 A HA 0.034 4.355 4.320 0.003 0.000 0.218 398 A C 2.135 179.608 177.584 -0.184 0.000 1.163 398 A CA 2.103 54.097 52.037 -0.072 0.000 0.652 398 A CB -0.717 18.256 19.000 -0.046 0.000 0.808 398 A HN 0.770 nan 8.150 nan 0.000 0.449 399 T N -3.037 111.343 114.554 -0.291 0.000 3.023 399 T HA 0.179 4.531 4.350 0.003 0.000 0.253 399 T C 1.486 175.905 174.700 -0.468 0.000 1.038 399 T CA 0.458 62.319 62.100 -0.399 0.000 0.962 399 T CB -0.099 68.611 68.868 -0.262 0.000 1.018 399 T HN 0.142 nan 8.240 nan 0.000 0.521 400 L N 3.477 124.459 121.223 -0.402 0.000 1.997 400 L HA -0.222 4.119 4.340 0.003 0.000 0.216 400 L C 2.307 179.073 176.870 -0.174 0.000 1.074 400 L CA 2.469 57.151 54.840 -0.262 0.000 0.763 400 L CB -1.101 40.842 42.059 -0.195 0.000 0.890 400 L HN 0.639 nan 8.230 nan 0.000 0.434 401 H N -3.376 115.593 119.070 -0.168 0.000 2.568 401 H HA -0.020 4.538 4.556 0.004 0.000 0.281 401 H C 1.559 176.541 175.328 -0.577 0.000 1.028 401 H CA 1.215 56.974 56.048 -0.482 0.000 1.199 401 H CB -0.882 28.736 29.762 -0.239 0.000 1.352 401 H HN 0.372 nan 8.280 nan 0.000 0.605 402 T N -1.078 113.197 114.554 -0.464 0.000 3.084 402 T HA 0.226 4.577 4.350 0.003 0.000 0.270 402 T C -0.103 174.550 174.700 -0.078 0.000 1.008 402 T CA 0.127 62.100 62.100 -0.212 0.000 0.900 402 T CB -0.266 68.465 68.868 -0.228 0.000 1.084 402 T HN 0.321 nan 8.240 nan 0.000 0.538 403 S N 0.458 116.159 115.700 0.000 0.000 2.775 403 S HA 0.355 4.827 4.470 0.003 0.000 0.277 403 S C 1.265 175.958 174.600 0.155 0.000 1.156 403 S CA -0.198 58.040 58.200 0.063 0.000 1.081 403 S CB 1.118 64.302 63.200 -0.026 0.000 1.054 403 S HN 0.435 nan 8.310 nan 0.000 0.482 404 T N 2.270 116.887 114.554 0.106 0.000 2.915 404 T HA 0.024 4.376 4.350 0.003 0.000 0.269 404 T C 1.995 176.610 174.700 -0.141 0.000 1.071 404 T CA 1.001 63.064 62.100 -0.061 0.000 1.132 404 T CB -0.372 68.446 68.868 -0.084 0.000 0.878 404 T HN 0.643 nan 8.240 nan 0.000 0.479 405 A N 1.731 124.485 122.820 -0.109 0.000 1.902 405 A HA 0.069 4.390 4.320 0.003 0.000 0.217 405 A C 2.457 179.923 177.584 -0.196 0.000 1.181 405 A CA 1.751 53.675 52.037 -0.189 0.000 0.623 405 A CB -0.835 18.097 19.000 -0.114 0.000 0.818 405 A HN 0.555 nan 8.150 nan 0.000 0.443 406 M N -0.485 119.075 119.600 -0.066 0.000 2.132 406 M HA -0.111 4.370 4.480 0.003 0.000 0.263 406 M C 2.339 178.691 176.300 0.087 0.000 1.065 406 M CA 1.584 56.914 55.300 0.051 0.000 1.122 406 M CB -0.321 32.295 32.600 0.027 0.000 1.365 406 M HN 0.441 nan 8.290 nan 0.000 0.411 407 A N 0.543 123.371 122.820 0.014 0.000 1.873 407 A HA -0.198 4.123 4.320 0.003 0.000 0.218 407 A C 2.305 179.840 177.584 -0.081 0.000 1.193 407 A CA 2.479 54.511 52.037 -0.009 0.000 0.629 407 A CB -1.382 17.505 19.000 -0.187 0.000 0.826 407 A HN 0.671 nan 8.150 nan 0.000 0.447 408 A N -1.163 121.480 122.820 -0.294 0.000 1.877 408 A HA -0.209 4.112 4.320 0.003 0.000 0.216 408 A C 2.113 179.382 177.584 -0.525 0.000 1.186 408 A CA 1.695 53.404 52.037 -0.547 0.000 0.620 408 A CB -0.614 17.679 19.000 -1.178 0.000 0.822 408 A HN 0.662 nan 8.150 nan 0.000 0.443 409 Q N -1.482 117.974 119.800 -0.574 0.000 2.291 409 Q HA -0.110 4.231 4.340 0.003 0.000 0.205 409 Q C 0.849 176.582 176.000 -0.446 0.000 0.970 409 Q CA 1.121 56.626 55.803 -0.497 0.000 0.876 409 Q CB -0.008 28.416 28.738 -0.524 0.000 0.935 409 Q HN 0.794 nan 8.270 nan 0.000 0.455 410 H N -1.968 117.143 119.070 0.070 0.000 2.784 410 H HA 0.203 4.760 4.556 0.002 0.000 0.273 410 H C 0.678 176.077 175.328 0.119 0.000 1.112 410 H CA 0.561 56.687 56.048 0.130 0.000 1.162 410 H CB 1.156 31.062 29.762 0.239 0.000 1.586 410 H HN 0.306 nan 8.280 nan 0.000 0.548 411 G N 2.242 111.154 108.800 0.186 0.000 2.323 411 G HA2 -0.264 3.697 3.960 0.003 0.000 0.292 411 G HA3 -0.264 3.697 3.960 0.003 0.000 0.292 411 G C 0.070 175.072 174.900 0.170 0.000 1.040 411 G CA 0.175 45.390 45.100 0.193 0.000 0.942 411 G HN 0.140 nan 8.290 nan 0.000 0.506 412 M N 0.427 120.128 119.600 0.169 0.000 1.999 412 M HA 0.246 4.728 4.480 0.003 0.000 0.299 412 M C 0.298 176.624 176.300 0.043 0.000 0.900 412 M CA -0.819 54.596 55.300 0.192 0.000 0.904 412 M CB 1.270 34.094 32.600 0.373 0.000 1.477 412 M HN -0.012 nan 8.290 nan 0.000 0.403 413 D N 2.043 122.274 120.400 -0.281 0.000 2.263 413 D HA -0.085 4.556 4.640 0.003 0.000 0.208 413 D C 0.313 176.604 176.300 -0.015 0.000 0.971 413 D CA 1.540 55.325 54.000 -0.358 0.000 0.867 413 D CB 0.489 40.856 40.800 -0.721 0.000 0.929 413 D HN 0.701 nan 8.370 nan 0.000 0.492 414 D N -1.678 118.866 120.400 0.239 0.000 2.769 414 D HA -0.088 4.553 4.640 0.003 0.000 0.309 414 D C -0.167 176.408 176.300 0.458 0.000 1.315 414 D CA -0.504 53.758 54.000 0.438 0.000 0.780 414 D CB 0.164 41.273 40.800 0.514 0.000 1.312 414 D HN -0.176 nan 8.370 nan 0.000 0.437 415 D N -0.906 119.719 120.400 0.375 0.000 2.351 415 D HA 0.201 4.843 4.640 0.003 0.000 0.216 415 D C 1.622 178.034 176.300 0.187 0.000 0.968 415 D CA 1.140 55.317 54.000 0.295 0.000 0.899 415 D CB -0.413 40.529 40.800 0.237 0.000 0.907 415 D HN 1.074 nan 8.370 nan 0.000 0.514 416 G N -0.335 108.605 108.800 0.233 0.000 2.142 416 G HA2 -0.260 3.701 3.960 0.003 0.000 0.225 416 G HA3 -0.260 3.701 3.960 0.003 0.000 0.225 416 G C 0.754 175.690 174.900 0.060 0.000 1.015 416 G CA 0.595 45.662 45.100 -0.054 0.000 0.716 416 G HN 0.705 nan 8.290 nan 0.000 0.508 417 T N -2.046 112.653 114.554 0.240 0.000 3.174 417 T HA 0.589 4.941 4.350 0.003 0.000 0.269 417 T C 1.249 176.092 174.700 0.240 0.000 1.017 417 T CA 0.866 63.079 62.100 0.188 0.000 0.899 417 T CB 1.025 69.969 68.868 0.127 0.000 1.077 417 T HN 1.304 nan 8.240 nan 0.000 0.552 418 G N 0.848 109.892 108.800 0.407 0.000 2.580 418 G HA2 0.438 4.399 3.960 0.003 0.000 0.278 418 G HA3 0.438 4.399 3.960 0.003 0.000 0.278 418 G C -0.227 174.733 174.900 0.100 0.000 1.212 418 G CA -0.780 44.381 45.100 0.102 0.000 0.939 418 G HN 0.387 nan 8.290 nan 0.000 0.513 419 Q N -0.026 119.745 119.800 -0.047 0.000 2.300 419 Q HA 0.187 4.528 4.340 0.003 0.000 0.280 419 Q C 0.094 176.127 176.000 0.055 0.000 1.033 419 Q CA 0.674 56.486 55.803 0.015 0.000 0.903 419 Q CB 0.966 29.692 28.738 -0.020 0.000 1.195 419 Q HN 0.681 nan 8.270 nan 0.000 0.386 420 K N 0.881 121.372 120.400 0.151 0.000 2.508 420 K HA 0.540 4.861 4.320 0.003 0.000 0.260 420 K C -1.009 175.642 176.600 0.085 0.000 0.949 420 K CA -0.867 55.528 56.287 0.181 0.000 0.834 420 K CB 1.934 34.603 32.500 0.281 0.000 1.365 420 K HN 0.387 nan 8.250 nan 0.000 0.437 421 Q N 1.845 121.620 119.800 -0.041 0.000 2.356 421 Q HA 0.522 4.864 4.340 0.003 0.000 0.270 421 Q C -1.067 174.659 176.000 -0.457 0.000 1.058 421 Q CA -0.854 54.763 55.803 -0.310 0.000 0.802 421 Q CB 2.615 31.000 28.738 -0.589 0.000 1.303 421 Q HN 0.535 nan 8.270 nan 0.000 0.444 422 I N 1.558 121.800 120.570 -0.546 0.000 2.436 422 I HA 0.460 4.632 4.170 0.003 0.000 0.289 422 I C -0.868 175.116 176.117 -0.221 0.000 1.010 422 I CA -0.689 60.400 61.300 -0.352 0.000 1.098 422 I CB 1.335 38.993 38.000 -0.570 0.000 1.266 422 I HN 0.387 nan 8.210 nan 0.000 0.434 423 W N 5.145 126.573 121.300 0.214 0.000 2.761 423 W HA 0.548 5.209 4.660 0.002 0.000 0.340 423 W C -0.145 176.558 176.519 0.307 0.000 1.072 423 W CA -0.749 56.731 57.345 0.226 0.000 1.215 423 W CB 2.240 31.799 29.460 0.165 0.000 1.420 423 W HN 0.364 nan 8.180 nan 0.000 0.519 424 R N 1.056 121.838 120.500 0.470 0.000 2.604 424 R HA 0.590 4.932 4.340 0.003 0.000 0.287 424 R C -1.268 175.118 176.300 0.143 0.000 0.970 424 R CA -0.496 55.745 56.100 0.234 0.000 0.946 424 R CB 1.836 32.244 30.300 0.180 0.000 1.127 424 R HN 0.265 nan 8.270 nan 0.000 0.473 425 V N 3.866 123.794 119.914 0.024 0.000 2.364 425 V HA 0.233 4.355 4.120 0.003 0.000 0.272 425 V C -0.376 175.718 176.094 0.001 0.000 1.036 425 V CA -0.236 62.078 62.300 0.023 0.000 0.880 425 V CB 1.266 33.094 31.823 0.008 0.000 0.991 425 V HN 0.790 nan 8.190 nan 0.000 0.460 426 E N 3.871 124.081 120.200 0.016 0.000 2.141 426 E HA 0.539 4.891 4.350 0.003 0.000 0.259 426 E C 0.862 177.463 176.600 0.003 0.000 0.883 426 E CA 0.270 56.675 56.400 0.009 0.000 0.744 426 E CB 1.677 31.391 29.700 0.023 0.000 1.150 426 E HN 0.879 nan 8.360 nan 0.000 0.420 427 G N 3.374 112.171 108.800 -0.005 0.000 2.889 427 G HA2 -0.402 3.559 3.960 0.003 0.000 0.308 427 G HA3 -0.402 3.559 3.960 0.003 0.000 0.308 427 G C 0.746 175.639 174.900 -0.012 0.000 1.248 427 G CA 0.649 45.745 45.100 -0.008 0.000 0.982 427 G HN 0.775 nan 8.290 nan 0.000 0.571 428 S N 0.567 116.260 115.700 -0.013 0.000 2.937 428 S HA 0.532 5.004 4.470 0.003 0.000 0.252 428 S C -0.004 174.580 174.600 -0.027 0.000 1.022 428 S CA 0.504 58.692 58.200 -0.020 0.000 1.079 428 S CB 0.226 63.414 63.200 -0.021 0.000 1.035 428 S HN 0.906 nan 8.310 nan 0.000 0.594 429 N N 1.010 119.698 118.700 -0.019 0.000 2.380 429 N HA 0.448 5.190 4.740 0.003 0.000 0.290 429 N C -1.517 173.980 175.510 -0.022 0.000 1.236 429 N CA -1.012 52.021 53.050 -0.028 0.000 0.780 429 N CB 0.982 39.463 38.487 -0.010 0.000 1.438 429 N HN 0.032 nan 8.380 nan 0.000 0.491 430 K N 0.837 121.196 120.400 -0.068 0.000 2.262 430 K HA 0.421 4.742 4.320 0.003 0.000 0.282 430 K C -1.064 175.611 176.600 0.125 0.000 1.066 430 K CA -0.549 55.694 56.287 -0.074 0.000 0.901 430 K CB 1.008 33.205 32.500 -0.505 0.000 1.089 430 K HN 0.227 nan 8.250 nan 0.000 0.476 431 V N 5.596 125.672 119.914 0.270 0.000 2.384 431 V HA 0.214 4.335 4.120 0.003 0.000 0.287 431 V C -2.257 174.092 176.094 0.425 0.000 1.020 431 V CA -2.551 59.929 62.300 0.300 0.000 0.850 431 V CB 1.324 33.251 31.823 0.173 0.000 0.987 431 V HN 0.624 nan 8.190 nan 0.000 0.436 432 P HA 0.023 nan 4.420 nan 0.000 0.264 432 P C -0.382 177.015 177.300 0.161 0.000 1.183 432 P CA 0.292 63.503 63.100 0.185 0.000 0.763 432 P CB 0.426 32.203 31.700 0.127 0.000 0.807 433 V N 3.494 123.501 119.914 0.156 0.000 2.567 433 V HA 0.093 4.214 4.120 0.003 0.000 0.289 433 V C 0.724 176.922 176.094 0.174 0.000 1.049 433 V CA -0.429 61.993 62.300 0.202 0.000 0.969 433 V CB 1.107 33.069 31.823 0.232 0.000 0.995 433 V HN 0.548 nan 8.190 nan 0.000 0.471 434 D N 5.917 126.370 120.400 0.089 0.000 2.451 434 D HA 0.024 4.665 4.640 0.003 0.000 0.254 434 D C -1.529 174.701 176.300 -0.118 0.000 1.204 434 D CA -1.149 52.845 54.000 -0.010 0.000 0.896 434 D CB 1.690 42.480 40.800 -0.017 0.000 1.136 434 D HN 0.248 nan 8.370 nan 0.000 0.499 435 P HA -0.197 nan 4.420 nan 0.000 0.218 435 P C 0.873 177.801 177.300 -0.619 0.000 1.150 435 P CA 1.771 64.316 63.100 -0.925 0.000 0.841 435 P CB 0.175 31.507 31.700 -0.613 0.000 0.784 436 A N -1.492 121.156 122.820 -0.286 0.000 2.121 436 A HA -0.101 4.221 4.320 0.003 0.000 0.218 436 A C 1.914 179.431 177.584 -0.112 0.000 1.154 436 A CA 1.784 53.719 52.037 -0.169 0.000 0.679 436 A CB -1.430 17.505 19.000 -0.109 0.000 0.795 436 A HN 0.196 nan 8.150 nan 0.000 0.458 437 T N -0.987 113.520 114.554 -0.080 0.000 3.081 437 T HA 0.116 4.467 4.350 0.003 0.000 0.255 437 T C 0.087 174.743 174.700 -0.073 0.000 1.113 437 T CA -0.224 61.852 62.100 -0.040 0.000 1.082 437 T CB -0.331 68.542 68.868 0.008 0.000 0.939 437 T HN 0.350 nan 8.240 nan 0.000 0.506 438 Y N 1.703 121.844 120.300 -0.265 0.000 2.904 438 Y HA 0.272 4.823 4.550 0.002 0.000 0.336 438 Y C 1.796 177.317 175.900 -0.631 0.000 1.263 438 Y CA 0.647 58.527 58.100 -0.366 0.000 1.547 438 Y CB -0.615 37.781 38.460 -0.107 0.000 1.272 438 Y HN 0.354 nan 8.280 nan 0.000 0.596 439 G N 2.204 110.286 108.800 -1.196 0.000 2.234 439 G HA2 -0.243 3.719 3.960 0.003 0.000 0.235 439 G HA3 -0.243 3.719 3.960 0.003 0.000 0.235 439 G C 0.100 174.273 174.900 -1.211 0.000 0.997 439 G CA -0.075 43.990 45.100 -1.725 0.000 0.623 439 G HN 0.552 nan 8.290 nan 0.000 0.514 440 Q N -0.346 118.823 119.800 -1.052 0.000 2.271 440 Q HA 0.713 5.054 4.340 0.003 0.000 0.258 440 Q C -1.135 174.196 176.000 -1.115 0.000 0.936 440 Q CA -0.470 54.886 55.803 -0.745 0.000 0.909 440 Q CB 1.150 29.739 28.738 -0.249 0.000 1.253 440 Q HN 0.242 nan 8.270 nan 0.000 0.440 441 F N 1.179 120.798 119.950 -0.552 0.000 2.578 441 F HA 0.423 4.951 4.527 0.002 0.000 0.311 441 F C -1.022 174.616 175.800 -0.270 0.000 1.094 441 F CA -0.774 56.860 58.000 -0.610 0.000 0.923 441 F CB 1.351 39.637 39.000 -1.190 0.000 1.230 441 F HN 0.405 nan 8.300 nan 0.000 0.450 442 Y N 0.130 120.712 120.300 0.469 0.000 2.328 442 Y HA 0.404 4.956 4.550 0.002 0.000 0.337 442 Y C 1.141 177.396 175.900 0.592 0.000 0.966 442 Y CA -0.828 57.566 58.100 0.491 0.000 1.136 442 Y CB 1.978 40.649 38.460 0.352 0.000 1.170 442 Y HN 0.825 nan 8.280 nan 0.000 0.470 443 G N 1.527 110.695 108.800 0.614 0.000 2.615 443 G HA2 -0.155 3.806 3.960 0.003 0.000 0.213 443 G HA3 -0.155 3.806 3.960 0.003 0.000 0.213 443 G C 1.382 176.488 174.900 0.342 0.000 1.135 443 G CA 0.881 46.295 45.100 0.525 0.000 0.772 443 G HN 0.920 nan 8.290 nan 0.000 0.542 444 G N -0.734 108.272 108.800 0.344 0.000 2.939 444 G HA2 0.246 4.207 3.960 0.003 0.000 0.210 444 G HA3 0.246 4.207 3.960 0.003 0.000 0.210 444 G C 0.130 175.117 174.900 0.146 0.000 1.160 444 G CA -0.035 45.183 45.100 0.197 0.000 0.770 444 G HN 0.361 nan 8.290 nan 0.000 0.543 445 D N -0.485 120.035 120.400 0.200 0.000 2.654 445 D HA 0.611 5.252 4.640 0.003 0.000 0.255 445 D C -0.771 175.549 176.300 0.033 0.000 1.101 445 D CA -0.373 53.628 54.000 0.001 0.000 1.116 445 D CB 1.457 42.100 40.800 -0.261 0.000 1.348 445 D HN -0.113 nan 8.370 nan 0.000 0.609 446 S N -0.736 114.878 115.700 -0.145 0.000 2.547 446 S HA 0.571 5.042 4.470 0.003 0.000 0.281 446 S C -1.364 173.199 174.600 -0.062 0.000 1.118 446 S CA -0.641 57.586 58.200 0.045 0.000 0.947 446 S CB 0.869 64.083 63.200 0.024 0.000 1.053 446 S HN 0.285 nan 8.310 nan 0.000 0.482 447 Y N 1.375 121.934 120.300 0.432 0.000 2.598 447 Y HA 0.722 5.273 4.550 0.002 0.000 0.340 447 Y C -0.075 176.031 175.900 0.344 0.000 1.038 447 Y CA -1.173 57.157 58.100 0.383 0.000 1.100 447 Y CB 1.188 39.901 38.460 0.422 0.000 1.281 447 Y HN 0.621 nan 8.280 nan 0.000 0.488 448 I N 2.436 123.328 120.570 0.536 0.000 2.533 448 I HA 0.637 4.808 4.170 0.003 0.000 0.290 448 I C -1.856 174.583 176.117 0.538 0.000 1.056 448 I CA -0.736 60.838 61.300 0.456 0.000 1.057 448 I CB 1.222 39.425 38.000 0.338 0.000 1.240 448 I HN 0.577 nan 8.210 nan 0.000 0.423 449 I N 7.656 128.500 120.570 0.457 0.000 2.436 449 I HA 0.347 4.519 4.170 0.003 0.000 0.289 449 I C -1.166 175.195 176.117 0.405 0.000 1.010 449 I CA -0.785 60.755 61.300 0.400 0.000 1.098 449 I CB 2.001 40.210 38.000 0.347 0.000 1.266 449 I HN 0.432 nan 8.210 nan 0.000 0.434 450 L N 7.974 129.424 121.223 0.378 0.000 2.272 450 L HA 0.481 4.823 4.340 0.003 0.000 0.289 450 L C -1.466 175.591 176.870 0.312 0.000 1.032 450 L CA -0.269 54.776 54.840 0.341 0.000 0.810 450 L CB 0.783 43.078 42.059 0.393 0.000 1.205 450 L HN 0.475 nan 8.230 nan 0.000 0.422 451 Y N 5.035 125.443 120.300 0.179 0.000 2.425 451 Y HA 0.526 5.079 4.550 0.004 0.000 0.344 451 Y C -0.740 175.263 175.900 0.170 0.000 0.969 451 Y CA -0.857 57.351 58.100 0.180 0.000 1.052 451 Y CB 1.509 40.123 38.460 0.258 0.000 1.215 451 Y HN 0.628 nan 8.280 nan 0.000 0.451 452 N N 6.248 124.592 118.700 -0.594 0.000 2.457 452 N HA 0.127 4.868 4.740 0.003 0.000 0.250 452 N C -1.472 173.601 175.510 -0.728 0.000 0.982 452 N CA -0.300 52.459 53.050 -0.483 0.000 0.941 452 N CB 1.080 39.389 38.487 -0.296 0.000 1.120 452 N HN 0.648 nan 8.380 nan 0.000 0.505 453 Y N 0.406 120.516 120.300 -0.317 0.000 2.352 453 Y HA 0.697 5.249 4.550 0.004 0.000 0.326 453 Y C -0.481 175.446 175.900 0.046 0.000 1.166 453 Y CA -1.178 56.902 58.100 -0.033 0.000 1.182 453 Y CB 0.881 39.514 38.460 0.289 0.000 1.216 453 Y HN 0.169 nan 8.280 nan 0.000 0.474 454 R N 2.996 123.679 120.500 0.305 0.000 2.476 454 R HA 0.298 4.639 4.340 0.003 0.000 0.305 454 R C -1.507 175.010 176.300 0.362 0.000 0.965 454 R CA -0.681 55.552 56.100 0.222 0.000 0.867 454 R CB 0.650 31.001 30.300 0.084 0.000 1.176 454 R HN 0.853 nan 8.270 nan 0.000 0.447 455 H N 2.662 121.896 119.070 0.273 0.000 2.538 455 H HA 0.164 4.722 4.556 0.003 0.000 0.239 455 H C 0.876 176.314 175.328 0.182 0.000 1.401 455 H CA 0.414 56.606 56.048 0.240 0.000 1.499 455 H CB 0.600 30.505 29.762 0.238 0.000 1.624 455 H HN 0.757 nan 8.280 nan 0.000 0.524 456 G N 2.540 111.354 108.800 0.024 0.000 3.412 456 G HA2 -0.546 3.415 3.960 0.003 0.000 0.385 456 G HA3 -0.546 3.415 3.960 0.003 0.000 0.385 456 G C 1.753 176.732 174.900 0.131 0.000 2.040 456 G CA 2.550 47.673 45.100 0.038 0.000 2.281 456 G HN 0.738 nan 8.290 nan 0.000 0.917 457 S N 0.147 115.979 115.700 0.221 0.000 2.400 457 S HA 0.117 4.588 4.470 0.003 0.000 0.232 457 S C 1.221 175.953 174.600 0.221 0.000 1.025 457 S CA 1.779 60.114 58.200 0.225 0.000 0.993 457 S CB 0.030 63.387 63.200 0.261 0.000 0.808 457 S HN 0.837 nan 8.310 nan 0.000 0.478 458 R N -0.434 120.242 120.500 0.293 0.000 2.764 458 R HA 0.578 4.919 4.340 0.003 0.000 0.270 458 R C -1.513 174.957 176.300 0.284 0.000 1.014 458 R CA -0.668 55.594 56.100 0.269 0.000 0.904 458 R CB 1.531 32.010 30.300 0.297 0.000 1.236 458 R HN 0.232 nan 8.270 nan 0.000 0.466 459 Q N -0.225 119.631 119.800 0.094 0.000 2.359 459 Q HA 0.708 5.049 4.340 0.003 0.000 0.274 459 Q C -0.775 174.927 176.000 -0.497 0.000 1.074 459 Q CA -0.912 54.752 55.803 -0.232 0.000 0.810 459 Q CB 3.041 31.705 28.738 -0.123 0.000 1.342 459 Q HN 0.839 nan 8.270 nan 0.000 0.427 460 G N 0.870 108.937 108.800 -1.222 0.000 2.494 460 G HA2 0.394 4.355 3.960 0.003 0.000 0.308 460 G HA3 0.394 4.355 3.960 0.003 0.000 0.308 460 G C -1.788 172.750 174.900 -0.603 0.000 1.263 460 G CA -0.544 44.125 45.100 -0.718 0.000 0.840 460 G HN 0.409 nan 8.290 nan 0.000 0.479 461 Q N -0.906 118.828 119.800 -0.110 0.000 2.413 461 Q HA 0.716 5.058 4.340 0.003 0.000 0.276 461 Q C -1.185 174.937 176.000 0.203 0.000 1.099 461 Q CA -0.710 55.119 55.803 0.043 0.000 0.814 461 Q CB 3.145 31.884 28.738 0.002 0.000 1.379 461 Q HN 0.457 nan 8.270 nan 0.000 0.436 462 I N 2.100 122.806 120.570 0.227 0.000 2.499 462 I HA 0.437 4.608 4.170 0.003 0.000 0.288 462 I C -0.880 175.250 176.117 0.021 0.000 1.048 462 I CA -0.673 60.679 61.300 0.088 0.000 1.062 462 I CB 1.824 39.856 38.000 0.054 0.000 1.238 462 I HN 0.424 nan 8.210 nan 0.000 0.426 463 I N 6.023 126.556 120.570 -0.061 0.000 2.330 463 I HA 0.310 4.482 4.170 0.003 0.000 0.289 463 I C -1.080 175.013 176.117 -0.040 0.000 1.001 463 I CA -0.630 60.689 61.300 0.031 0.000 1.193 463 I CB 0.885 38.920 38.000 0.057 0.000 1.345 463 I HN 0.382 nan 8.210 nan 0.000 0.461 464 Y N 4.824 125.229 120.300 0.176 0.000 2.330 464 Y HA 0.263 4.815 4.550 0.002 0.000 0.336 464 Y C 0.437 176.443 175.900 0.177 0.000 1.036 464 Y CA -0.575 57.616 58.100 0.151 0.000 1.125 464 Y CB 1.257 39.800 38.460 0.138 0.000 1.194 464 Y HN 0.498 nan 8.280 nan 0.000 0.469 465 N N 3.849 122.738 118.700 0.314 0.000 2.558 465 N HA 0.119 4.860 4.740 0.003 0.000 0.242 465 N C -1.581 174.078 175.510 0.249 0.000 0.979 465 N CA -0.543 52.655 53.050 0.246 0.000 0.931 465 N CB 0.524 39.090 38.487 0.132 0.000 1.122 465 N HN 0.689 nan 8.380 nan 0.000 0.508 466 W N 3.716 125.082 121.300 0.110 0.000 2.338 466 W HA 0.273 4.934 4.660 0.002 0.000 0.307 466 W C -0.643 175.918 176.519 0.070 0.000 1.167 466 W CA -0.363 57.003 57.345 0.036 0.000 1.208 466 W CB 0.885 30.303 29.460 -0.070 0.000 1.228 466 W HN 0.397 nan 8.180 nan 0.000 0.499 467 Q N 4.639 124.084 119.800 -0.591 0.000 2.394 467 Q HA 0.357 4.699 4.340 0.003 0.000 0.259 467 Q C 0.449 175.899 176.000 -0.917 0.000 1.021 467 Q CA -0.653 54.837 55.803 -0.520 0.000 0.805 467 Q CB 1.593 30.153 28.738 -0.297 0.000 1.226 467 Q HN 0.680 nan 8.270 nan 0.000 0.476 468 G N 1.043 109.385 108.800 -0.764 0.000 2.398 468 G HA2 0.226 4.188 3.960 0.003 0.000 0.246 468 G HA3 0.226 4.188 3.960 0.003 0.000 0.246 468 G C 0.905 175.648 174.900 -0.262 0.000 1.289 468 G CA 0.066 44.829 45.100 -0.561 0.000 0.869 468 G HN 0.783 nan 8.290 nan 0.000 0.543 469 A N 1.825 124.525 122.820 -0.199 0.000 2.131 469 A HA -0.091 4.231 4.320 0.003 0.000 0.220 469 A C 1.947 179.499 177.584 -0.052 0.000 1.158 469 A CA 1.605 53.572 52.037 -0.116 0.000 0.665 469 A CB -0.047 18.907 19.000 -0.077 0.000 0.795 469 A HN 0.648 nan 8.150 nan 0.000 0.460 470 Q N -0.971 118.826 119.800 -0.006 0.000 2.159 470 Q HA 0.225 4.566 4.340 0.003 0.000 0.217 470 Q C 0.210 176.222 176.000 0.020 0.000 0.818 470 Q CA -0.151 55.663 55.803 0.018 0.000 1.008 470 Q CB 0.700 29.472 28.738 0.056 0.000 1.148 470 Q HN 0.430 nan 8.270 nan 0.000 0.491 471 S N 1.087 116.788 115.700 0.000 0.000 2.549 471 S HA 0.121 4.593 4.470 0.003 0.000 0.279 471 S C 0.289 174.878 174.600 -0.018 0.000 1.321 471 S CA -0.471 57.728 58.200 -0.001 0.000 1.054 471 S CB 0.483 63.671 63.200 -0.021 0.000 0.899 471 S HN 0.398 nan 8.310 nan 0.000 0.497 472 T N 3.766 118.313 114.554 -0.012 0.000 2.926 472 T HA 0.152 4.504 4.350 0.003 0.000 0.307 472 T C 1.330 176.015 174.700 -0.026 0.000 1.059 472 T CA -0.589 61.501 62.100 -0.017 0.000 1.122 472 T CB 0.596 69.457 68.868 -0.012 0.000 0.972 472 T HN 0.648 nan 8.240 nan 0.000 0.545 473 Q N 1.745 121.528 119.800 -0.028 0.000 2.118 473 Q HA -0.206 4.136 4.340 0.003 0.000 0.211 473 Q C 2.143 178.125 176.000 -0.030 0.000 0.998 473 Q CA 2.461 58.244 55.803 -0.033 0.000 0.872 473 Q CB -0.604 28.115 28.738 -0.031 0.000 0.925 473 Q HN 0.998 nan 8.270 nan 0.000 0.414 474 D N -0.121 120.264 120.400 -0.025 0.000 2.123 474 D HA -0.207 4.434 4.640 0.003 0.000 0.196 474 D C 1.394 177.680 176.300 -0.023 0.000 0.992 474 D CA 1.273 55.259 54.000 -0.023 0.000 0.833 474 D CB -0.379 40.410 40.800 -0.019 0.000 0.954 474 D HN 0.390 nan 8.370 nan 0.000 0.455 475 E N 0.197 120.384 120.200 -0.022 0.000 2.152 475 E HA -0.053 4.298 4.350 0.003 0.000 0.192 475 E C 2.477 179.063 176.600 -0.023 0.000 0.983 475 E CA 0.328 56.715 56.400 -0.021 0.000 0.818 475 E CB 0.276 29.964 29.700 -0.020 0.000 0.758 475 E HN 0.165 nan 8.360 nan 0.000 0.467 476 V N 1.419 121.315 119.914 -0.030 0.000 2.270 476 V HA -0.252 3.869 4.120 0.003 0.000 0.245 476 V C 2.372 178.446 176.094 -0.033 0.000 1.043 476 V CA 1.888 64.165 62.300 -0.038 0.000 1.014 476 V CB -0.668 31.122 31.823 -0.055 0.000 0.645 476 V HN 0.291 nan 8.190 nan 0.000 0.447 477 A N -0.018 122.783 122.820 -0.033 0.000 1.940 477 A HA -0.141 4.181 4.320 0.003 0.000 0.219 477 A C 2.393 179.960 177.584 -0.027 0.000 1.176 477 A CA 2.161 54.179 52.037 -0.032 0.000 0.631 477 A CB -0.755 18.226 19.000 -0.031 0.000 0.814 477 A HN 0.582 nan 8.150 nan 0.000 0.446 478 A N 0.282 123.088 122.820 -0.024 0.000 1.930 478 A HA -0.066 4.256 4.320 0.003 0.000 0.217 478 A C 2.504 180.076 177.584 -0.020 0.000 1.175 478 A CA 2.213 54.236 52.037 -0.024 0.000 0.627 478 A CB -0.922 18.065 19.000 -0.022 0.000 0.815 478 A HN 0.984 nan 8.150 nan 0.000 0.443 479 S N 0.288 115.982 115.700 -0.010 0.000 2.383 479 S HA 0.025 4.496 4.470 0.003 0.000 0.227 479 S C 2.109 176.713 174.600 0.006 0.000 1.026 479 S CA 1.316 59.521 58.200 0.009 0.000 0.981 479 S CB -0.704 62.516 63.200 0.033 0.000 0.818 479 S HN 0.869 nan 8.310 nan 0.000 0.472 480 A N 2.092 124.908 122.820 -0.007 0.000 1.877 480 A HA 0.090 4.412 4.320 0.003 0.000 0.216 480 A C 2.253 179.825 177.584 -0.021 0.000 1.186 480 A CA 1.482 53.511 52.037 -0.012 0.000 0.620 480 A CB -0.867 18.119 19.000 -0.024 0.000 0.822 480 A HN 0.578 nan 8.150 nan 0.000 0.443 481 I N -0.368 120.186 120.570 -0.027 0.000 2.179 481 I HA -0.257 3.914 4.170 0.003 0.000 0.242 481 I C 2.333 178.424 176.117 -0.043 0.000 1.088 481 I CA 1.157 62.436 61.300 -0.035 0.000 1.357 481 I CB -0.341 37.638 38.000 -0.035 0.000 1.051 481 I HN 0.278 nan 8.210 nan 0.000 0.409 482 L N -0.029 121.167 121.223 -0.045 0.000 2.131 482 L HA -0.199 4.143 4.340 0.003 0.000 0.210 482 L C 2.569 179.398 176.870 -0.069 0.000 1.092 482 L CA 1.315 56.113 54.840 -0.070 0.000 0.759 482 L CB -0.832 41.179 42.059 -0.079 0.000 0.903 482 L HN 0.283 nan 8.230 nan 0.000 0.435 483 T N -0.211 114.323 114.554 -0.033 0.000 2.737 483 T HA -0.141 4.211 4.350 0.003 0.000 0.265 483 T C 2.039 176.720 174.700 -0.033 0.000 1.038 483 T CA 1.326 63.417 62.100 -0.014 0.000 1.144 483 T CB -0.196 68.682 68.868 0.016 0.000 0.866 483 T HN 0.445 nan 8.240 nan 0.000 0.434 484 A N 1.108 123.905 122.820 -0.037 0.000 1.940 484 A HA -0.173 4.148 4.320 0.003 0.000 0.219 484 A C 2.251 179.802 177.584 -0.055 0.000 1.176 484 A CA 1.617 53.627 52.037 -0.045 0.000 0.631 484 A CB -0.655 18.319 19.000 -0.043 0.000 0.814 484 A HN 0.523 nan 8.150 nan 0.000 0.446 485 Q N -1.394 118.370 119.800 -0.061 0.000 2.119 485 Q HA -0.102 4.240 4.340 0.003 0.000 0.201 485 Q C 2.039 177.992 176.000 -0.078 0.000 0.972 485 Q CA 1.262 57.024 55.803 -0.069 0.000 0.847 485 Q CB -0.191 28.503 28.738 -0.074 0.000 0.903 485 Q HN 0.607 nan 8.270 nan 0.000 0.433 486 L N 1.198 122.368 121.223 -0.088 0.000 2.056 486 L HA -0.180 4.162 4.340 0.003 0.000 0.207 486 L C 1.929 178.761 176.870 -0.063 0.000 1.078 486 L CA 1.922 56.706 54.840 -0.092 0.000 0.749 486 L CB -0.614 41.380 42.059 -0.107 0.000 0.901 486 L HN 0.235 nan 8.230 nan 0.000 0.433 487 D N -0.626 119.739 120.400 -0.057 0.000 2.104 487 D HA -0.307 4.335 4.640 0.003 0.000 0.194 487 D C 1.927 178.179 176.300 -0.079 0.000 0.994 487 D CA 1.644 55.605 54.000 -0.064 0.000 0.830 487 D CB 0.128 40.889 40.800 -0.065 0.000 0.959 487 D HN 0.666 nan 8.370 nan 0.000 0.452 488 E N 0.476 120.632 120.200 -0.073 0.000 2.072 488 E HA -0.202 4.150 4.350 0.003 0.000 0.191 488 E C 1.919 178.479 176.600 -0.067 0.000 0.985 488 E CA 1.229 57.585 56.400 -0.073 0.000 0.801 488 E CB -0.161 29.501 29.700 -0.064 0.000 0.750 488 E HN 0.483 nan 8.360 nan 0.000 0.452 489 E N -0.138 120.025 120.200 -0.062 0.000 2.512 489 E HA -0.105 4.246 4.350 0.003 0.000 0.195 489 E C 1.251 177.822 176.600 -0.049 0.000 1.083 489 E CA 0.146 56.514 56.400 -0.053 0.000 0.873 489 E CB 0.235 29.904 29.700 -0.052 0.000 0.897 489 E HN 0.241 nan 8.360 nan 0.000 0.514 490 L N -0.303 120.884 121.223 -0.060 0.000 2.766 490 L HA 0.399 4.740 4.340 0.003 0.000 0.242 490 L C 1.287 178.100 176.870 -0.095 0.000 1.136 490 L CA 1.061 55.864 54.840 -0.062 0.000 0.933 490 L CB 1.089 43.117 42.059 -0.052 0.000 1.241 490 L HN 0.369 nan 8.230 nan 0.000 0.522 491 G N -1.426 107.312 108.800 -0.104 0.000 2.184 491 G HA2 -0.105 3.856 3.960 0.003 0.000 0.206 491 G HA3 -0.105 3.856 3.960 0.003 0.000 0.206 491 G C 1.078 175.865 174.900 -0.188 0.000 0.995 491 G CA -0.091 44.929 45.100 -0.135 0.000 0.651 491 G HN 0.898 nan 8.290 nan 0.000 0.511 492 G N -1.277 107.415 108.800 -0.181 0.000 2.155 492 G HA2 -0.184 3.777 3.960 0.003 0.000 0.257 492 G HA3 -0.184 3.777 3.960 0.003 0.000 0.257 492 G C 1.019 175.724 174.900 -0.325 0.000 0.983 492 G CA 1.823 46.803 45.100 -0.199 0.000 0.676 492 G HN 1.447 nan 8.290 nan 0.000 0.528 493 T N 0.765 115.062 114.554 -0.427 0.000 3.009 493 T HA 0.134 4.486 4.350 0.003 0.000 0.258 493 T C -0.958 173.512 174.700 -0.383 0.000 1.063 493 T CA 1.042 62.701 62.100 -0.734 0.000 1.139 493 T CB -0.122 68.297 68.868 -0.748 0.000 0.890 493 T HN 0.425 nan 8.240 nan 0.000 0.471 494 P HA 0.194 nan 4.420 nan 0.000 0.271 494 P C -0.728 176.549 177.300 -0.039 0.000 1.244 494 P CA -0.243 62.814 63.100 -0.071 0.000 0.793 494 P CB 0.548 32.221 31.700 -0.044 0.000 0.984 495 V N 1.694 121.620 119.914 0.019 0.000 2.465 495 V HA 0.224 4.345 4.120 0.003 0.000 0.279 495 V C 0.247 176.310 176.094 -0.052 0.000 1.045 495 V CA 0.028 62.330 62.300 0.004 0.000 0.938 495 V CB 0.813 32.660 31.823 0.040 0.000 0.986 495 V HN 0.460 nan 8.190 nan 0.000 0.467 496 Q N 2.775 122.539 119.800 -0.060 0.000 2.333 496 Q HA 0.558 4.900 4.340 0.003 0.000 0.268 496 Q C -0.915 175.041 176.000 -0.075 0.000 1.007 496 Q CA -0.180 55.583 55.803 -0.067 0.000 0.810 496 Q CB 1.747 30.457 28.738 -0.048 0.000 1.264 496 Q HN 0.744 nan 8.270 nan 0.000 0.452 497 S N 3.402 119.050 115.700 -0.086 0.000 2.561 497 S HA 0.454 4.926 4.470 0.003 0.000 0.303 497 S C -1.252 173.384 174.600 0.061 0.000 1.110 497 S CA -0.738 57.441 58.200 -0.035 0.000 1.034 497 S CB 1.011 64.172 63.200 -0.065 0.000 1.010 497 S HN 0.693 nan 8.310 nan 0.000 0.482 498 R N 4.072 124.590 120.500 0.030 0.000 2.229 498 R HA 0.619 4.960 4.340 0.003 0.000 0.332 498 R C -1.217 175.094 176.300 0.018 0.000 0.989 498 R CA -0.340 55.775 56.100 0.026 0.000 0.842 498 R CB 0.939 31.227 30.300 -0.020 0.000 1.119 498 R HN 0.460 nan 8.270 nan 0.000 0.456 499 V N 5.796 125.731 119.914 0.035 0.000 2.555 499 V HA 0.521 4.642 4.120 0.003 0.000 0.302 499 V C -0.911 175.061 176.094 -0.203 0.000 1.038 499 V CA -0.581 61.706 62.300 -0.021 0.000 0.887 499 V CB 2.117 33.991 31.823 0.085 0.000 0.991 499 V HN 0.558 nan 8.190 nan 0.000 0.434 500 V N 5.930 125.695 119.914 -0.249 0.000 2.630 500 V HA 0.422 4.543 4.120 0.003 0.000 0.305 500 V C 0.152 175.977 176.094 -0.448 0.000 1.046 500 V CA -0.619 61.445 62.300 -0.393 0.000 0.934 500 V CB 1.677 33.351 31.823 -0.248 0.000 1.003 500 V HN 1.013 nan 8.190 nan 0.000 0.451 501 Q N 1.911 121.304 119.800 -0.679 0.000 2.247 501 Q HA 0.328 4.669 4.340 0.003 0.000 0.288 501 Q C 1.030 176.967 176.000 -0.104 0.000 1.079 501 Q CA 1.251 56.835 55.803 -0.364 0.000 0.932 501 Q CB 0.033 28.538 28.738 -0.388 0.000 1.133 501 Q HN 1.167 nan 8.270 nan 0.000 0.377 502 G N 3.999 112.810 108.800 0.018 0.000 2.391 502 G HA2 -0.157 3.804 3.960 0.003 0.000 0.204 502 G HA3 -0.157 3.804 3.960 0.003 0.000 0.204 502 G C 0.203 175.100 174.900 -0.005 0.000 1.012 502 G CA -0.203 44.898 45.100 0.001 0.000 0.651 502 G HN 0.508 nan 8.290 nan 0.000 0.494 503 K N 1.734 122.120 120.400 -0.023 0.000 3.205 503 K HA 0.399 4.720 4.320 0.003 0.000 0.202 503 K C -0.180 176.416 176.600 -0.007 0.000 1.160 503 K CA -0.231 56.042 56.287 -0.024 0.000 0.995 503 K CB 0.802 33.270 32.500 -0.055 0.000 1.041 503 K HN 0.452 nan 8.250 nan 0.000 0.507 504 E N 2.400 122.616 120.200 0.026 0.000 2.384 504 E HA 0.068 4.420 4.350 0.003 0.000 0.266 504 E C -2.180 174.417 176.600 -0.004 0.000 1.012 504 E CA -1.370 55.045 56.400 0.026 0.000 0.901 504 E CB 0.187 29.906 29.700 0.031 0.000 0.967 504 E HN 0.162 nan 8.360 nan 0.000 0.435 505 P HA 0.065 nan 4.420 nan 0.000 0.277 505 P C -0.036 177.261 177.300 -0.005 0.000 1.240 505 P CA -0.238 62.871 63.100 0.014 0.000 0.798 505 P CB 1.548 33.286 31.700 0.063 0.000 0.979 506 A N 2.217 125.054 122.820 0.029 0.000 1.896 506 A HA -0.298 4.023 4.320 0.003 0.000 0.220 506 A C 2.226 179.801 177.584 -0.015 0.000 1.206 506 A CA 2.536 54.576 52.037 0.005 0.000 0.647 506 A CB -2.153 16.867 19.000 0.033 0.000 0.828 506 A HN 0.776 nan 8.150 nan 0.000 0.455 507 H N -0.977 118.065 119.070 -0.047 0.000 2.387 507 H HA -0.068 4.489 4.556 0.002 0.000 0.299 507 H C 1.740 176.936 175.328 -0.219 0.000 1.090 507 H CA 1.653 57.659 56.048 -0.070 0.000 1.332 507 H CB -0.206 29.591 29.762 0.058 0.000 1.386 507 H HN 0.345 nan 8.280 nan 0.000 0.516 508 L N -0.116 120.908 121.223 -0.332 0.000 2.131 508 L HA -0.110 4.231 4.340 0.003 0.000 0.210 508 L C 2.033 178.626 176.870 -0.461 0.000 1.092 508 L CA 1.613 56.055 54.840 -0.664 0.000 0.759 508 L CB -0.577 41.020 42.059 -0.769 0.000 0.903 508 L HN 0.402 nan 8.230 nan 0.000 0.435 509 M N -0.958 118.483 119.600 -0.265 0.000 2.229 509 M HA -0.118 4.364 4.480 0.003 0.000 0.264 509 M C 1.851 178.033 176.300 -0.196 0.000 1.063 509 M CA 1.648 56.870 55.300 -0.130 0.000 1.114 509 M CB -0.399 32.154 32.600 -0.079 0.000 1.387 509 M HN 0.549 nan 8.290 nan 0.000 0.420 510 S N -0.084 115.417 115.700 -0.332 0.000 2.671 510 S HA 0.164 4.636 4.470 0.003 0.000 0.220 510 S C 1.225 175.530 174.600 -0.491 0.000 0.951 510 S CA -0.137 57.870 58.200 -0.321 0.000 0.932 510 S CB -0.570 62.488 63.200 -0.237 0.000 0.777 510 S HN 0.469 nan 8.310 nan 0.000 0.508 511 L N 0.024 120.726 121.223 -0.869 0.000 2.591 511 L HA 0.337 4.678 4.340 0.003 0.000 0.228 511 L C -0.143 176.140 176.870 -0.979 0.000 1.133 511 L CA 0.309 54.527 54.840 -1.036 0.000 0.880 511 L CB -0.281 40.998 42.059 -1.300 0.000 1.033 511 L HN 0.386 nan 8.230 nan 0.000 0.450 512 F N -0.331 119.562 119.950 -0.094 0.000 2.798 512 F HA 0.478 5.007 4.527 0.003 0.000 0.333 512 F C 1.462 177.243 175.800 -0.031 0.000 1.324 512 F CA -0.307 57.664 58.000 -0.047 0.000 1.183 512 F CB 0.037 38.997 39.000 -0.066 0.000 1.132 512 F HN 0.061 nan 8.300 nan 0.000 0.521 513 G N 1.476 110.306 108.800 0.051 0.000 2.620 513 G HA2 -0.315 3.646 3.960 0.003 0.000 0.315 513 G HA3 -0.315 3.646 3.960 0.003 0.000 0.315 513 G C 1.228 176.147 174.900 0.033 0.000 1.179 513 G CA 0.216 45.344 45.100 0.046 0.000 0.971 513 G HN 0.798 nan 8.290 nan 0.000 0.544 514 G N -0.198 108.625 108.800 0.039 0.000 3.274 514 G HA2 0.501 4.462 3.960 0.003 0.000 0.250 514 G HA3 0.501 4.462 3.960 0.003 0.000 0.250 514 G C 0.386 175.302 174.900 0.026 0.000 1.024 514 G CA 0.774 45.889 45.100 0.024 0.000 0.840 514 G HN 0.609 nan 8.290 nan 0.000 0.522 515 K N 2.344 122.772 120.400 0.046 0.000 2.270 515 K HA 0.370 4.691 4.320 0.003 0.000 0.276 515 K C -2.211 174.411 176.600 0.037 0.000 1.023 515 K CA -1.991 54.311 56.287 0.025 0.000 0.955 515 K CB 1.152 33.659 32.500 0.011 0.000 0.975 515 K HN 0.053 nan 8.250 nan 0.000 0.471 516 P HA 0.013 nan 4.420 nan 0.000 0.271 516 P C -0.530 176.746 177.300 -0.040 0.000 1.218 516 P CA -0.290 62.804 63.100 -0.011 0.000 0.780 516 P CB 0.690 32.366 31.700 -0.040 0.000 0.901 517 M N 3.695 123.299 119.600 0.008 0.000 2.268 517 M HA 0.126 4.607 4.480 0.003 0.000 0.349 517 M C -0.236 175.972 176.300 -0.153 0.000 1.485 517 M CA 0.005 55.263 55.300 -0.069 0.000 1.094 517 M CB -0.101 32.549 32.600 0.083 0.000 1.843 517 M HN 0.180 nan 8.290 nan 0.000 0.460 518 I N 6.198 126.595 120.570 -0.288 0.000 2.353 518 I HA 0.323 4.494 4.170 0.003 0.000 0.293 518 I C -0.402 175.469 176.117 -0.410 0.000 0.992 518 I CA -0.634 60.446 61.300 -0.366 0.000 1.268 518 I CB 0.965 38.648 38.000 -0.529 0.000 1.387 518 I HN 0.352 nan 8.210 nan 0.000 0.478 519 V N 7.566 127.274 119.914 -0.344 0.000 2.419 519 V HA 0.303 4.424 4.120 0.003 0.000 0.287 519 V C -0.784 175.171 176.094 -0.233 0.000 1.017 519 V CA -0.663 61.501 62.300 -0.227 0.000 0.844 519 V CB 1.125 32.944 31.823 -0.005 0.000 1.011 519 V HN 0.429 nan 8.190 nan 0.000 0.429 520 Y N 3.654 123.913 120.300 -0.069 0.000 2.336 520 Y HA 0.258 4.809 4.550 0.002 0.000 0.335 520 Y C 1.514 177.438 175.900 0.040 0.000 1.046 520 Y CA -0.803 57.278 58.100 -0.033 0.000 1.198 520 Y CB 1.020 39.421 38.460 -0.098 0.000 1.182 520 Y HN 0.675 nan 8.280 nan 0.000 0.502 521 K N 1.152 121.628 120.400 0.125 0.000 2.555 521 K HA 0.120 4.441 4.320 0.003 0.000 0.193 521 K C 0.936 177.635 176.600 0.165 0.000 1.032 521 K CA 0.417 56.774 56.287 0.117 0.000 1.004 521 K CB -0.174 32.338 32.500 0.020 0.000 0.804 521 K HN 0.785 nan 8.250 nan 0.000 0.496 522 G N 1.025 109.968 108.800 0.238 0.000 2.441 522 G HA2 0.275 4.237 3.960 0.003 0.000 0.258 522 G HA3 0.275 4.237 3.960 0.003 0.000 0.258 522 G C 0.295 175.341 174.900 0.244 0.000 1.487 522 G CA -0.205 45.033 45.100 0.230 0.000 1.058 522 G HN 0.330 nan 8.290 nan 0.000 0.552 523 G N -1.998 106.930 108.800 0.214 0.000 2.630 523 G HA2 0.434 4.396 3.960 0.003 0.000 0.223 523 G HA3 0.434 4.396 3.960 0.003 0.000 0.223 523 G C 0.507 175.520 174.900 0.187 0.000 1.434 523 G CA 0.625 45.821 45.100 0.161 0.000 1.057 523 G HN 0.735 nan 8.290 nan 0.000 0.570 524 T N -1.690 112.902 114.554 0.063 0.000 2.652 524 T HA 0.319 4.671 4.350 0.003 0.000 0.319 524 T C 1.348 175.890 174.700 -0.262 0.000 1.029 524 T CA 0.917 63.016 62.100 -0.002 0.000 0.990 524 T CB 0.505 69.361 68.868 -0.021 0.000 1.098 524 T HN 1.149 nan 8.240 nan 0.000 0.520 525 S N -0.807 114.732 115.700 -0.268 0.000 2.998 525 S HA 0.213 4.684 4.470 0.003 0.000 0.256 525 S C 0.612 175.108 174.600 -0.173 0.000 0.970 525 S CA -0.640 57.286 58.200 -0.457 0.000 1.238 525 S CB -0.077 62.735 63.200 -0.646 0.000 1.170 525 S HN 0.867 nan 8.310 nan 0.000 0.663 526 R N 2.644 123.091 120.500 -0.089 0.000 2.743 526 R HA 0.275 4.617 4.340 0.003 0.000 0.167 526 R C 1.577 177.851 176.300 -0.043 0.000 0.873 526 R CA 0.244 56.324 56.100 -0.034 0.000 1.366 526 R CB -0.631 29.661 30.300 -0.013 0.000 0.940 526 R HN 0.305 nan 8.270 nan 0.000 0.545 527 E N -0.028 120.159 120.200 -0.022 0.000 2.196 527 E HA -0.229 4.122 4.350 0.003 0.000 0.222 527 E C 0.292 176.870 176.600 -0.037 0.000 1.072 527 E CA 1.603 57.990 56.400 -0.022 0.000 0.902 527 E CB -0.438 29.253 29.700 -0.014 0.000 0.780 527 E HN 0.719 nan 8.360 nan 0.000 0.467 528 G N -0.948 107.823 108.800 -0.048 0.000 2.269 528 G HA2 0.446 4.408 3.960 0.003 0.000 0.297 528 G HA3 0.446 4.408 3.960 0.003 0.000 0.297 528 G C -0.046 174.815 174.900 -0.066 0.000 1.340 528 G CA -0.231 44.835 45.100 -0.058 0.000 1.240 528 G HN 0.251 nan 8.290 nan 0.000 0.596 529 G N 0.188 108.929 108.800 -0.099 0.000 2.556 529 G HA2 0.248 4.209 3.960 0.003 0.000 0.209 529 G HA3 0.248 4.209 3.960 0.003 0.000 0.209 529 G C 1.000 175.861 174.900 -0.065 0.000 1.159 529 G CA 1.120 46.163 45.100 -0.094 0.000 0.828 529 G HN 0.832 nan 8.290 nan 0.000 0.553 530 Q N -1.106 118.651 119.800 -0.073 0.000 2.177 530 Q HA -0.180 4.161 4.340 0.003 0.000 0.174 530 Q C -0.189 175.794 176.000 -0.028 0.000 0.609 530 Q CA 1.289 57.065 55.803 -0.045 0.000 1.453 530 Q CB -1.953 26.767 28.738 -0.031 0.000 1.591 530 Q HN 0.457 nan 8.270 nan 0.000 0.818 531 T N -0.785 113.755 114.554 -0.024 0.000 2.749 531 T HA 0.642 4.993 4.350 0.003 0.000 0.287 531 T C 0.391 175.105 174.700 0.023 0.000 0.970 531 T CA 0.350 62.453 62.100 0.005 0.000 0.980 531 T CB 1.635 70.513 68.868 0.017 0.000 0.924 531 T HN 0.435 nan 8.240 nan 0.000 0.456 532 A N 4.857 127.698 122.820 0.036 0.000 3.445 532 A HA 0.268 4.589 4.320 0.003 0.000 0.184 532 A C -2.022 175.604 177.584 0.071 0.000 1.331 532 A CA -0.516 51.556 52.037 0.058 0.000 1.364 532 A CB -0.769 18.239 19.000 0.015 0.000 1.117 532 A HN 0.601 nan 8.150 nan 0.000 0.502 533 P HA 0.404 nan 4.420 nan 0.000 0.238 533 P C 0.490 177.826 177.300 0.059 0.000 1.729 533 P CA 1.236 64.373 63.100 0.061 0.000 1.055 533 P CB -0.046 31.677 31.700 0.037 0.000 1.980 534 A N 2.868 125.732 122.820 0.073 0.000 2.311 534 A HA 0.189 4.511 4.320 0.003 0.000 0.269 534 A C 1.846 179.460 177.584 0.051 0.000 1.514 534 A CA 0.782 52.852 52.037 0.056 0.000 0.827 534 A CB -0.600 18.434 19.000 0.057 0.000 1.358 534 A HN 0.425 nan 8.150 nan 0.000 0.549 535 S N -2.135 113.588 115.700 0.038 0.000 2.370 535 S HA 0.130 4.601 4.470 0.003 0.000 0.214 535 S C 0.518 175.137 174.600 0.031 0.000 1.033 535 S CA 0.997 59.215 58.200 0.030 0.000 0.941 535 S CB -0.444 62.765 63.200 0.014 0.000 0.886 535 S HN 0.668 nan 8.310 nan 0.000 0.521 536 T N 3.083 117.647 114.554 0.017 0.000 2.842 536 T HA 0.583 4.935 4.350 0.003 0.000 0.308 536 T C -0.869 173.843 174.700 0.018 0.000 1.041 536 T CA -0.567 61.534 62.100 0.002 0.000 0.964 536 T CB 1.033 69.874 68.868 -0.045 0.000 0.972 536 T HN 0.298 nan 8.240 nan 0.000 0.460 537 R N 2.380 122.924 120.500 0.073 0.000 2.562 537 R HA 0.674 5.016 4.340 0.003 0.000 0.298 537 R C -1.070 175.312 176.300 0.136 0.000 0.961 537 R CA -0.894 55.268 56.100 0.103 0.000 0.881 537 R CB 2.078 32.523 30.300 0.243 0.000 1.159 537 R HN 0.421 nan 8.270 nan 0.000 0.450 538 L N 3.298 124.538 121.223 0.029 0.000 2.341 538 L HA 0.553 4.894 4.340 0.003 0.000 0.278 538 L C -1.406 175.467 176.870 0.005 0.000 1.005 538 L CA -0.794 54.106 54.840 0.100 0.000 0.818 538 L CB 1.169 43.252 42.059 0.041 0.000 1.259 538 L HN 0.552 nan 8.230 nan 0.000 0.418 539 F N 2.666 122.699 119.950 0.138 0.000 2.449 539 F HA 0.366 4.894 4.527 0.002 0.000 0.342 539 F C 0.221 176.040 175.800 0.031 0.000 1.127 539 F CA -0.411 57.631 58.000 0.069 0.000 0.975 539 F CB 1.795 40.810 39.000 0.025 0.000 1.146 539 F HN 0.385 nan 8.300 nan 0.000 0.444 540 Q N 3.360 123.135 119.800 -0.042 0.000 2.303 540 Q HA 0.571 4.913 4.340 0.003 0.000 0.257 540 Q C -1.525 174.299 176.000 -0.293 0.000 0.941 540 Q CA -0.555 54.929 55.803 -0.532 0.000 0.931 540 Q CB 1.449 29.862 28.738 -0.541 0.000 1.215 540 Q HN 0.542 nan 8.270 nan 0.000 0.437 541 V N 5.462 125.194 119.914 -0.303 0.000 2.311 541 V HA 0.433 4.555 4.120 0.003 0.000 0.275 541 V C -0.128 175.889 176.094 -0.127 0.000 1.022 541 V CA -0.612 61.611 62.300 -0.128 0.000 0.830 541 V CB 1.027 32.824 31.823 -0.043 0.000 1.012 541 V HN 0.704 nan 8.190 nan 0.000 0.452 542 R N 3.394 123.839 120.500 -0.092 0.000 2.532 542 R HA 0.815 5.157 4.340 0.003 0.000 0.295 542 R C -0.273 176.010 176.300 -0.029 0.000 0.968 542 R CA -0.243 55.825 56.100 -0.053 0.000 0.916 542 R CB 1.672 31.947 30.300 -0.041 0.000 1.124 542 R HN 0.781 nan 8.270 nan 0.000 0.463 543 A N 1.972 124.783 122.820 -0.015 0.000 2.330 543 A HA 0.602 4.923 4.320 0.003 0.000 0.329 543 A C -0.728 176.848 177.584 -0.013 0.000 1.135 543 A CA -0.637 51.388 52.037 -0.019 0.000 0.817 543 A CB 1.463 20.453 19.000 -0.017 0.000 1.269 543 A HN 0.845 nan 8.150 nan 0.000 0.469 544 S N -0.284 115.394 115.700 -0.037 0.000 2.689 544 S HA 0.478 4.950 4.470 0.003 0.000 0.306 544 S C 0.836 175.396 174.600 -0.067 0.000 1.104 544 S CA 0.143 58.322 58.200 -0.035 0.000 0.973 544 S CB 1.245 64.414 63.200 -0.052 0.000 1.121 544 S HN 0.686 nan 8.310 nan 0.000 0.523 545 S N 1.344 117.027 115.700 -0.029 0.000 2.402 545 S HA -0.123 4.348 4.470 0.003 0.000 0.233 545 S C 1.697 176.106 174.600 -0.319 0.000 1.030 545 S CA 1.661 59.839 58.200 -0.037 0.000 1.003 545 S CB -0.693 62.650 63.200 0.239 0.000 0.813 545 S HN 0.969 nan 8.310 nan 0.000 0.477 546 S N 0.093 115.464 115.700 -0.548 0.000 2.634 546 S HA 0.460 4.932 4.470 0.003 0.000 0.221 546 S C 1.403 175.696 174.600 -0.512 0.000 0.952 546 S CA 0.366 57.886 58.200 -1.133 0.000 0.930 546 S CB 0.006 62.399 63.200 -1.345 0.000 0.780 546 S HN 0.727 nan 8.310 nan 0.000 0.498 547 G N 0.777 109.424 108.800 -0.253 0.000 2.184 547 G HA2 -0.208 3.753 3.960 0.003 0.000 0.264 547 G HA3 -0.208 3.753 3.960 0.003 0.000 0.264 547 G C 0.356 175.196 174.900 -0.100 0.000 0.975 547 G CA -0.055 44.973 45.100 -0.120 0.000 0.642 547 G HN 1.288 nan 8.290 nan 0.000 0.536 548 A N 0.114 122.852 122.820 -0.136 0.000 2.425 548 A HA 0.737 5.059 4.320 0.003 0.000 0.242 548 A C 0.814 178.362 177.584 -0.061 0.000 1.077 548 A CA 1.432 53.411 52.037 -0.096 0.000 0.781 548 A CB 0.385 19.311 19.000 -0.123 0.000 1.020 548 A HN 1.894 nan 8.150 nan 0.000 0.494 549 T N -0.811 113.721 114.554 -0.037 0.000 2.896 549 T HA 0.801 5.152 4.350 0.003 0.000 0.297 549 T C -0.711 173.980 174.700 -0.016 0.000 1.108 549 T CA -0.996 61.088 62.100 -0.027 0.000 1.004 549 T CB 1.565 70.419 68.868 -0.024 0.000 1.159 549 T HN 1.116 nan 8.240 nan 0.000 0.499 550 R N 0.257 120.743 120.500 -0.023 0.000 2.548 550 R HA 0.749 5.091 4.340 0.003 0.000 0.280 550 R C -1.473 174.809 176.300 -0.030 0.000 1.061 550 R CA -1.144 54.942 56.100 -0.024 0.000 0.915 550 R CB 1.653 31.943 30.300 -0.017 0.000 1.210 550 R HN 0.839 nan 8.270 nan 0.000 0.442 551 A N 3.364 126.167 122.820 -0.028 0.000 2.253 551 A HA 0.560 4.881 4.320 0.003 0.000 0.316 551 A C -0.464 177.157 177.584 0.061 0.000 1.327 551 A CA -0.673 51.386 52.037 0.038 0.000 0.917 551 A CB 1.049 20.073 19.000 0.040 0.000 1.162 551 A HN 0.459 nan 8.150 nan 0.000 0.535 552 V N 2.618 122.541 119.914 0.015 0.000 2.555 552 V HA 0.366 4.487 4.120 0.003 0.000 0.302 552 V C 0.218 176.156 176.094 -0.260 0.000 1.038 552 V CA -0.698 61.554 62.300 -0.079 0.000 0.887 552 V CB 1.650 33.441 31.823 -0.054 0.000 0.991 552 V HN 0.979 nan 8.190 nan 0.000 0.434 553 E N 4.278 124.194 120.200 -0.472 0.000 2.227 553 E HA 0.624 4.976 4.350 0.003 0.000 0.282 553 E C -0.684 175.734 176.600 -0.303 0.000 1.015 553 E CA -0.372 55.589 56.400 -0.731 0.000 0.823 553 E CB 1.171 30.328 29.700 -0.906 0.000 1.081 553 E HN 0.717 nan 8.360 nan 0.000 0.396 554 I N 0.014 120.452 120.570 -0.220 0.000 3.580 554 I HA 0.464 4.635 4.170 0.003 0.000 0.296 554 I C -0.546 175.527 176.117 -0.073 0.000 1.146 554 I CA -1.315 59.930 61.300 -0.090 0.000 1.051 554 I CB 1.053 39.044 38.000 -0.014 0.000 1.364 554 I HN 0.301 nan 8.210 nan 0.000 0.482 555 I N 2.178 122.724 120.570 -0.040 0.000 2.337 555 I HA 0.303 4.475 4.170 0.003 0.000 0.291 555 I C -2.214 173.873 176.117 -0.050 0.000 1.046 555 I CA -2.085 59.190 61.300 -0.041 0.000 1.324 555 I CB -0.183 37.798 38.000 -0.032 0.000 1.409 555 I HN 0.307 nan 8.210 nan 0.000 0.494 556 P HA 0.055 nan 4.420 nan 0.000 0.252 556 P C -0.649 176.584 177.300 -0.112 0.000 1.183 556 P CA 0.691 63.733 63.100 -0.097 0.000 0.973 556 P CB 0.093 31.734 31.700 -0.099 0.000 0.990 557 K N 1.873 122.197 120.400 -0.126 0.000 2.557 557 K HA 0.436 4.757 4.320 0.003 0.000 0.257 557 K C 0.691 177.200 176.600 -0.152 0.000 0.933 557 K CA -0.709 55.503 56.287 -0.124 0.000 0.820 557 K CB 2.170 34.618 32.500 -0.086 0.000 1.330 557 K HN 0.084 nan 8.250 nan 0.000 0.432 558 A N 2.001 124.736 122.820 -0.142 0.000 1.873 558 A HA -0.117 4.204 4.320 0.003 0.000 0.218 558 A C 1.522 179.010 177.584 -0.161 0.000 1.193 558 A CA 2.155 54.118 52.037 -0.124 0.000 0.629 558 A CB -0.896 18.018 19.000 -0.143 0.000 0.826 558 A HN 0.833 nan 8.150 nan 0.000 0.447 559 G N -1.461 107.258 108.800 -0.136 0.000 3.324 559 G HA2 0.358 4.319 3.960 0.003 0.000 0.232 559 G HA3 0.358 4.319 3.960 0.003 0.000 0.232 559 G C 0.485 175.358 174.900 -0.046 0.000 1.213 559 G CA 0.730 45.777 45.100 -0.089 0.000 1.637 559 G HN 1.136 nan 8.290 nan 0.000 0.572 560 A N -0.241 122.540 122.820 -0.065 0.000 2.716 560 A HA 0.473 4.794 4.320 0.003 0.000 0.252 560 A C 0.559 178.141 177.584 -0.004 0.000 1.144 560 A CA -0.361 51.675 52.037 -0.001 0.000 0.995 560 A CB 0.266 19.266 19.000 0.000 0.000 1.252 560 A HN 0.282 nan 8.150 nan 0.000 0.593 561 L N 0.734 121.847 121.223 -0.184 0.000 2.421 561 L HA 0.417 4.759 4.340 0.003 0.000 0.263 561 L C 0.080 177.053 176.870 0.171 0.000 1.122 561 L CA -0.665 53.884 54.840 -0.485 0.000 0.804 561 L CB 0.661 42.261 42.059 -0.765 0.000 1.150 561 L HN 0.306 nan 8.230 nan 0.000 0.457 562 N N -0.128 118.889 118.700 0.529 0.000 2.461 562 N HA 0.073 4.814 4.740 0.003 0.000 0.284 562 N C 0.289 176.160 175.510 0.602 0.000 1.049 562 N CA -0.110 53.287 53.050 0.577 0.000 0.889 562 N CB 2.015 40.826 38.487 0.539 0.000 1.365 562 N HN 0.571 nan 8.380 nan 0.000 0.499 563 S N 3.273 119.204 115.700 0.384 0.000 2.423 563 S HA -0.162 4.309 4.470 0.003 0.000 0.238 563 S C 1.122 175.811 174.600 0.148 0.000 1.028 563 S CA 1.738 60.059 58.200 0.202 0.000 1.000 563 S CB 0.036 63.255 63.200 0.032 0.000 0.797 563 S HN 0.673 nan 8.310 nan 0.000 0.487 564 N N 1.347 120.159 118.700 0.187 0.000 2.119 564 N HA 0.039 4.780 4.740 0.003 0.000 0.190 564 N C 0.241 175.836 175.510 0.142 0.000 1.068 564 N CA 1.283 54.410 53.050 0.129 0.000 0.872 564 N CB -0.398 38.161 38.487 0.120 0.000 1.053 564 N HN 0.579 nan 8.380 nan 0.000 0.447 565 D N -0.104 120.396 120.400 0.167 0.000 2.354 565 D HA 0.372 5.014 4.640 0.003 0.000 0.238 565 D C -0.636 175.800 176.300 0.228 0.000 1.250 565 D CA -0.332 53.734 54.000 0.109 0.000 0.911 565 D CB 0.407 41.198 40.800 -0.015 0.000 1.163 565 D HN 0.375 nan 8.370 nan 0.000 0.456 566 A N -0.102 122.799 122.820 0.134 0.000 2.337 566 A HA 0.591 4.913 4.320 0.003 0.000 0.329 566 A C -1.123 176.643 177.584 0.304 0.000 1.146 566 A CA -0.822 51.401 52.037 0.310 0.000 0.800 566 A CB 0.403 19.492 19.000 0.148 0.000 1.220 566 A HN 0.407 nan 8.150 nan 0.000 0.472 567 F N 0.470 120.685 119.950 0.441 0.000 2.518 567 F HA 0.704 5.233 4.527 0.003 0.000 0.338 567 F C 0.138 176.149 175.800 0.352 0.000 1.065 567 F CA -1.138 57.089 58.000 0.378 0.000 1.012 567 F CB 1.877 41.099 39.000 0.368 0.000 1.297 567 F HN 0.233 nan 8.300 nan 0.000 0.489 568 V N 2.570 122.791 119.914 0.511 0.000 2.532 568 V HA 0.303 4.424 4.120 0.003 0.000 0.294 568 V C -1.380 174.931 176.094 0.363 0.000 1.036 568 V CA -0.570 61.955 62.300 0.375 0.000 0.876 568 V CB 1.776 33.727 31.823 0.213 0.000 1.012 568 V HN 0.513 nan 8.190 nan 0.000 0.432 569 L N 5.593 127.006 121.223 0.316 0.000 2.264 569 L HA 0.629 4.970 4.340 0.003 0.000 0.287 569 L C 0.039 177.014 176.870 0.175 0.000 1.039 569 L CA -0.392 54.548 54.840 0.166 0.000 0.829 569 L CB 0.953 42.956 42.059 -0.094 0.000 1.211 569 L HN 0.658 nan 8.230 nan 0.000 0.427 570 K N 3.444 123.950 120.400 0.176 0.000 2.237 570 K HA 0.665 4.987 4.320 0.003 0.000 0.270 570 K C -0.534 176.126 176.600 0.100 0.000 1.015 570 K CA 0.069 56.447 56.287 0.152 0.000 0.949 570 K CB 0.989 33.594 32.500 0.174 0.000 0.976 570 K HN 0.681 nan 8.250 nan 0.000 0.472 571 T N 3.069 117.686 114.554 0.105 0.000 2.827 571 T HA 0.340 4.691 4.350 0.003 0.000 0.328 571 T C -2.441 172.308 174.700 0.081 0.000 1.598 571 T CA -1.119 61.026 62.100 0.074 0.000 1.043 571 T CB 1.124 70.028 68.868 0.061 0.000 1.447 571 T HN 0.575 nan 8.240 nan 0.000 0.491 572 P HA 0.057 nan 4.420 nan 0.000 0.230 572 P C 0.972 178.309 177.300 0.062 0.000 1.158 572 P CA 0.656 63.788 63.100 0.053 0.000 0.769 572 P CB 0.279 32.003 31.700 0.039 0.000 0.807 573 S N -0.194 115.558 115.700 0.087 0.000 2.288 573 S HA 0.389 4.861 4.470 0.003 0.000 0.198 573 S C 1.183 175.841 174.600 0.096 0.000 1.021 573 S CA 0.823 59.082 58.200 0.098 0.000 0.973 573 S CB -0.378 62.907 63.200 0.143 0.000 0.946 573 S HN 0.341 nan 8.310 nan 0.000 0.470 574 A N -0.167 122.741 122.820 0.147 0.000 2.568 574 A HA 0.808 5.129 4.320 0.003 0.000 0.291 574 A C -1.549 176.140 177.584 0.175 0.000 1.159 574 A CA -0.308 51.785 52.037 0.094 0.000 0.679 574 A CB 0.520 19.516 19.000 -0.007 0.000 1.285 574 A HN 0.629 nan 8.150 nan 0.000 0.428 575 A N -0.261 122.619 122.820 0.100 0.000 2.290 575 A HA 0.647 4.968 4.320 0.003 0.000 0.310 575 A C -1.549 176.130 177.584 0.158 0.000 1.202 575 A CA -0.168 51.972 52.037 0.173 0.000 0.837 575 A CB -0.128 18.929 19.000 0.095 0.000 1.139 575 A HN 0.740 nan 8.150 nan 0.000 0.509 576 Y N 2.304 122.687 120.300 0.139 0.000 2.504 576 Y HA 0.341 4.892 4.550 0.002 0.000 0.339 576 Y C 0.247 176.296 175.900 0.247 0.000 0.974 576 Y CA -0.708 57.520 58.100 0.214 0.000 1.232 576 Y CB 1.424 40.091 38.460 0.344 0.000 1.108 576 Y HN 0.567 nan 8.280 nan 0.000 0.509 577 L N 4.913 126.297 121.223 0.269 0.000 2.583 577 L HA 0.234 4.576 4.340 0.003 0.000 0.239 577 L C -0.399 176.633 176.870 0.270 0.000 1.347 577 L CA -0.493 54.488 54.840 0.235 0.000 1.246 577 L CB -0.602 41.523 42.059 0.110 0.000 1.496 577 L HN 0.639 nan 8.230 nan 0.000 0.413 578 W N 2.803 124.229 121.300 0.210 0.000 2.443 578 W HA 0.206 4.867 4.660 0.002 0.000 0.335 578 W C -0.170 176.438 176.519 0.148 0.000 1.382 578 W CA 0.338 57.759 57.345 0.127 0.000 1.305 578 W CB 0.586 30.172 29.460 0.210 0.000 1.283 578 W HN 0.139 nan 8.180 nan 0.000 0.567 579 V N 9.251 128.941 119.914 -0.374 0.000 2.326 579 V HA 0.626 4.748 4.120 0.003 0.000 0.281 579 V C 0.586 176.278 176.094 -0.670 0.000 1.015 579 V CA -0.476 61.627 62.300 -0.329 0.000 0.823 579 V CB 0.338 32.051 31.823 -0.184 0.000 1.009 579 V HN 0.674 nan 8.190 nan 0.000 0.436 580 G N 4.534 112.961 108.800 -0.622 0.000 2.491 580 G HA2 0.399 4.361 3.960 0.003 0.000 0.238 580 G HA3 0.399 4.361 3.960 0.003 0.000 0.238 580 G C 1.115 175.833 174.900 -0.303 0.000 1.277 580 G CA 0.139 44.880 45.100 -0.598 0.000 0.851 580 G HN 1.485 nan 8.290 nan 0.000 0.573 581 A N 1.917 124.576 122.820 -0.269 0.000 1.948 581 A HA -0.035 4.286 4.320 0.003 0.000 0.220 581 A C 2.512 180.039 177.584 -0.095 0.000 1.177 581 A CA 2.284 54.222 52.037 -0.164 0.000 0.636 581 A CB -0.668 18.247 19.000 -0.142 0.000 0.815 581 A HN 1.169 nan 8.150 nan 0.000 0.449 582 G N -1.119 107.644 108.800 -0.061 0.000 2.848 582 G HA2 0.365 4.327 3.960 0.003 0.000 0.208 582 G HA3 0.365 4.327 3.960 0.003 0.000 0.208 582 G C 0.755 175.652 174.900 -0.005 0.000 1.152 582 G CA 0.749 45.840 45.100 -0.015 0.000 0.789 582 G HN 0.822 nan 8.290 nan 0.000 0.531 583 A N -0.259 122.546 122.820 -0.026 0.000 2.281 583 A HA 0.733 5.054 4.320 0.003 0.000 0.271 583 A C 0.604 178.177 177.584 -0.018 0.000 1.196 583 A CA 0.387 52.416 52.037 -0.013 0.000 0.807 583 A CB 0.495 19.476 19.000 -0.031 0.000 1.138 583 A HN 0.394 nan 8.150 nan 0.000 0.506 584 S N -2.647 113.045 115.700 -0.013 0.000 2.800 584 S HA 0.345 4.816 4.470 0.003 0.000 0.293 584 S C 0.801 175.394 174.600 -0.012 0.000 1.209 584 S CA 0.139 58.331 58.200 -0.012 0.000 0.884 584 S CB 0.695 63.894 63.200 -0.003 0.000 1.244 584 S HN 0.851 nan 8.310 nan 0.000 0.540 585 E N 1.928 122.122 120.200 -0.009 0.000 2.013 585 E HA -0.164 4.187 4.350 0.003 0.000 0.202 585 E C 1.939 178.534 176.600 -0.007 0.000 1.018 585 E CA 2.587 58.982 56.400 -0.008 0.000 0.834 585 E CB -0.918 28.780 29.700 -0.004 0.000 0.770 585 E HN 0.635 nan 8.360 nan 0.000 0.459 586 A N 1.067 123.883 122.820 -0.007 0.000 1.903 586 A HA -0.317 4.005 4.320 0.003 0.000 0.219 586 A C 2.065 179.643 177.584 -0.010 0.000 1.191 586 A CA 2.522 54.553 52.037 -0.010 0.000 0.638 586 A CB -0.951 18.039 19.000 -0.016 0.000 0.823 586 A HN 0.535 nan 8.150 nan 0.000 0.451 587 E N 0.571 120.767 120.200 -0.007 0.000 2.031 587 E HA -0.210 4.141 4.350 0.003 0.000 0.193 587 E C 1.912 178.514 176.600 0.003 0.000 0.994 587 E CA 1.486 57.884 56.400 -0.003 0.000 0.800 587 E CB -0.609 29.095 29.700 0.006 0.000 0.752 587 E HN 0.708 nan 8.360 nan 0.000 0.447 588 K N 0.402 120.802 120.400 0.001 0.000 1.978 588 K HA -0.140 4.182 4.320 0.003 0.000 0.214 588 K C 2.478 179.078 176.600 -0.000 0.000 1.049 588 K CA 1.867 58.155 56.287 0.003 0.000 0.939 588 K CB -0.688 31.807 32.500 -0.009 0.000 0.721 588 K HN 0.167 nan 8.250 nan 0.000 0.441 589 T N 0.200 114.751 114.554 -0.006 0.000 2.653 589 T HA -0.190 4.161 4.350 0.003 0.000 0.268 589 T C 1.968 176.662 174.700 -0.011 0.000 1.035 589 T CA 2.038 64.134 62.100 -0.008 0.000 1.154 589 T CB -0.572 68.292 68.868 -0.007 0.000 0.862 589 T HN 0.477 nan 8.240 nan 0.000 0.441 590 G N -0.206 108.587 108.800 -0.011 0.000 2.421 590 G HA2 0.168 4.130 3.960 0.003 0.000 0.217 590 G HA3 0.168 4.130 3.960 0.003 0.000 0.217 590 G C 1.917 176.804 174.900 -0.022 0.000 1.143 590 G CA 0.882 45.971 45.100 -0.018 0.000 0.784 590 G HN 0.692 nan 8.290 nan 0.000 0.541 591 A N 1.377 124.193 122.820 -0.005 0.000 1.902 591 A HA -0.122 4.199 4.320 0.003 0.000 0.217 591 A C 2.388 179.969 177.584 -0.005 0.000 1.181 591 A CA 2.039 54.083 52.037 0.010 0.000 0.623 591 A CB -0.464 18.565 19.000 0.050 0.000 0.818 591 A HN 0.575 nan 8.150 nan 0.000 0.443 592 Q N -1.018 118.779 119.800 -0.006 0.000 2.187 592 Q HA -0.119 4.223 4.340 0.003 0.000 0.199 592 Q C 1.680 177.660 176.000 -0.034 0.000 0.957 592 Q CA 1.388 57.182 55.803 -0.014 0.000 0.857 592 Q CB -0.400 28.333 28.738 -0.007 0.000 0.929 592 Q HN 0.511 nan 8.270 nan 0.000 0.453 593 E N 1.137 121.315 120.200 -0.037 0.000 2.331 593 E HA -0.171 4.180 4.350 0.003 0.000 0.199 593 E C 1.628 178.184 176.600 -0.073 0.000 1.008 593 E CA 0.682 57.055 56.400 -0.045 0.000 0.843 593 E CB -0.092 29.585 29.700 -0.038 0.000 0.761 593 E HN 0.449 nan 8.360 nan 0.000 0.507 594 L N -0.590 120.575 121.223 -0.097 0.000 2.127 594 L HA -0.009 4.333 4.340 0.003 0.000 0.203 594 L C 1.766 178.540 176.870 -0.160 0.000 1.080 594 L CA 1.117 55.858 54.840 -0.167 0.000 0.768 594 L CB -0.343 41.579 42.059 -0.229 0.000 0.924 594 L HN 0.165 nan 8.230 nan 0.000 0.444 595 L N 0.223 121.381 121.223 -0.108 0.000 2.079 595 L HA -0.211 4.130 4.340 0.003 0.000 0.210 595 L C 2.754 179.590 176.870 -0.057 0.000 1.081 595 L CA 1.846 56.641 54.840 -0.075 0.000 0.752 595 L CB -1.410 40.630 42.059 -0.032 0.000 0.896 595 L HN 0.479 nan 8.230 nan 0.000 0.433 596 R N -0.250 120.219 120.500 -0.051 0.000 2.091 596 R HA -0.143 4.199 4.340 0.003 0.000 0.238 596 R C 2.225 178.501 176.300 -0.040 0.000 1.136 596 R CA 1.613 57.690 56.100 -0.038 0.000 0.959 596 R CB -0.038 30.241 30.300 -0.034 0.000 0.856 596 R HN 0.185 nan 8.270 nan 0.000 0.437 597 V N 1.538 121.419 119.914 -0.055 0.000 2.295 597 V HA -0.237 3.884 4.120 0.003 0.000 0.246 597 V C 2.340 178.416 176.094 -0.031 0.000 1.049 597 V CA 1.667 63.941 62.300 -0.043 0.000 1.024 597 V CB -0.404 31.384 31.823 -0.057 0.000 0.648 597 V HN 0.353 nan 8.190 nan 0.000 0.447 598 L N -0.444 120.743 121.223 -0.060 0.000 2.450 598 L HA -0.007 4.334 4.340 0.003 0.000 0.224 598 L C 0.876 177.735 176.870 -0.017 0.000 1.149 598 L CA 0.448 55.262 54.840 -0.043 0.000 0.816 598 L CB -0.349 41.652 42.059 -0.097 0.000 0.932 598 L HN 0.336 nan 8.230 nan 0.000 0.449 599 R N -0.333 120.156 120.500 -0.019 0.000 3.144 599 R HA -0.118 4.224 4.340 0.003 0.000 0.255 599 R C -0.469 175.830 176.300 -0.003 0.000 0.949 599 R CA 0.746 56.840 56.100 -0.009 0.000 0.649 599 R CB -1.963 28.335 30.300 -0.003 0.000 1.229 599 R HN 0.394 nan 8.270 nan 0.000 0.440 600 A N 0.485 123.302 122.820 -0.005 0.000 2.602 600 A HA 0.643 4.964 4.320 0.003 0.000 0.290 600 A C -1.238 176.347 177.584 0.002 0.000 1.114 600 A CA -0.657 51.383 52.037 0.005 0.000 0.683 600 A CB 1.901 20.912 19.000 0.018 0.000 1.281 600 A HN 0.146 nan 8.150 nan 0.000 0.416 601 Q N 1.311 121.114 119.800 0.005 0.000 2.348 601 Q HA 0.551 4.893 4.340 0.003 0.000 0.265 601 Q C -2.463 173.534 176.000 -0.005 0.000 0.998 601 Q CA -2.056 53.745 55.803 -0.004 0.000 0.831 601 Q CB 1.566 30.298 28.738 -0.009 0.000 1.251 601 Q HN 0.593 nan 8.270 nan 0.000 0.456 602 P HA 0.100 nan 4.420 nan 0.000 0.275 602 P C -0.831 176.442 177.300 -0.046 0.000 1.270 602 P CA -0.317 62.783 63.100 0.000 0.000 0.791 602 P CB 0.841 32.554 31.700 0.021 0.000 1.089 603 V N 0.031 119.905 119.914 -0.067 0.000 2.564 603 V HA 0.094 4.215 4.120 0.003 0.000 0.259 603 V C -0.232 175.820 176.094 -0.071 0.000 0.936 603 V CA -0.517 61.708 62.300 -0.125 0.000 0.867 603 V CB 0.270 31.910 31.823 -0.305 0.000 1.076 603 V HN 0.416 nan 8.190 nan 0.000 0.476 604 Q N 1.814 121.590 119.800 -0.041 0.000 2.751 604 Q HA 0.041 4.382 4.340 0.003 0.000 0.338 604 Q C -0.259 175.706 176.000 -0.059 0.000 1.085 604 Q CA 0.847 56.629 55.803 -0.035 0.000 1.123 604 Q CB 0.671 29.383 28.738 -0.042 0.000 0.975 604 Q HN 0.596 nan 8.270 nan 0.000 0.399 605 V N 2.219 122.098 119.914 -0.058 0.000 2.483 605 V HA 0.794 4.915 4.120 0.003 0.000 0.297 605 V C -0.721 175.221 176.094 -0.253 0.000 1.027 605 V CA -0.639 61.594 62.300 -0.111 0.000 0.855 605 V CB 1.474 33.265 31.823 -0.055 0.000 0.995 605 V HN 0.791 nan 8.190 nan 0.000 0.424 606 A N 4.873 127.547 122.820 -0.243 0.000 2.354 606 A HA 0.531 4.852 4.320 0.003 0.000 0.269 606 A C 0.281 177.649 177.584 -0.360 0.000 1.109 606 A CA -0.320 51.526 52.037 -0.319 0.000 0.800 606 A CB 0.430 19.314 19.000 -0.193 0.000 1.045 606 A HN 1.057 nan 8.150 nan 0.000 0.489 607 E N 1.034 120.925 120.200 -0.515 0.000 2.481 607 E HA 0.279 4.631 4.350 0.003 0.000 0.263 607 E C 1.326 177.926 176.600 0.001 0.000 0.992 607 E CA 1.143 57.380 56.400 -0.273 0.000 0.938 607 E CB 0.103 29.580 29.700 -0.372 0.000 0.933 607 E HN 1.460 nan 8.360 nan 0.000 0.453 608 G N 3.115 112.074 108.800 0.264 0.000 2.812 608 G HA2 -0.345 3.617 3.960 0.003 0.000 0.219 608 G HA3 -0.345 3.617 3.960 0.003 0.000 0.219 608 G C 0.250 175.267 174.900 0.194 0.000 1.275 608 G CA 0.332 45.587 45.100 0.259 0.000 0.769 608 G HN 1.083 nan 8.290 nan 0.000 0.527 609 S N 1.739 117.483 115.700 0.072 0.000 3.158 609 S HA 0.670 5.141 4.470 0.003 0.000 0.215 609 S C -0.569 174.013 174.600 -0.029 0.000 1.359 609 S CA -0.020 58.204 58.200 0.039 0.000 0.974 609 S CB 1.182 64.387 63.200 0.010 0.000 1.336 609 S HN 0.642 nan 8.310 nan 0.000 0.488 610 E N 2.505 122.670 120.200 -0.059 0.000 2.248 610 E HA 0.529 4.881 4.350 0.003 0.000 0.267 610 E C -2.707 173.816 176.600 -0.128 0.000 0.877 610 E CA -2.331 53.935 56.400 -0.223 0.000 0.759 610 E CB 0.813 30.114 29.700 -0.664 0.000 1.182 610 E HN 0.312 nan 8.360 nan 0.000 0.418 611 P HA -0.044 nan 4.420 nan 0.000 0.267 611 P C -0.027 177.356 177.300 0.138 0.000 1.200 611 P CA -0.037 63.116 63.100 0.088 0.000 0.772 611 P CB 0.828 32.599 31.700 0.119 0.000 0.855 612 D N 0.740 121.268 120.400 0.214 0.000 2.384 612 D HA -0.099 4.543 4.640 0.003 0.000 0.222 612 D C 0.905 177.354 176.300 0.248 0.000 0.976 612 D CA 0.559 54.746 54.000 0.312 0.000 0.915 612 D CB -0.353 40.600 40.800 0.255 0.000 0.896 612 D HN 0.204 nan 8.370 nan 0.000 0.523 613 S N 0.100 115.934 115.700 0.223 0.000 2.387 613 S HA -0.058 4.414 4.470 0.003 0.000 0.226 613 S C 1.387 176.060 174.600 0.123 0.000 1.026 613 S CA 0.343 58.668 58.200 0.208 0.000 0.972 613 S CB -0.490 62.887 63.200 0.295 0.000 0.814 613 S HN 0.388 nan 8.310 nan 0.000 0.477 614 F N 1.149 121.087 119.950 -0.020 0.000 2.113 614 F HA -0.039 4.490 4.527 0.002 0.000 0.297 614 F C 1.855 177.491 175.800 -0.274 0.000 1.103 614 F CA 1.112 58.881 58.000 -0.385 0.000 1.248 614 F CB -0.604 38.239 39.000 -0.262 0.000 0.999 614 F HN 0.213 nan 8.300 nan 0.000 0.475 615 W N 1.083 122.485 121.300 0.170 0.000 2.342 615 W HA -0.179 4.482 4.660 0.003 0.000 0.297 615 W C 2.435 178.859 176.519 -0.158 0.000 1.213 615 W CA 1.048 58.395 57.345 0.004 0.000 1.251 615 W CB -0.278 29.230 29.460 0.080 0.000 1.136 615 W HN 0.095 nan 8.180 nan 0.000 0.526 616 E N -0.079 120.188 120.200 0.113 0.000 2.106 616 E HA -0.125 4.226 4.350 0.003 0.000 0.192 616 E C 1.821 178.359 176.600 -0.102 0.000 0.984 616 E CA 0.856 57.261 56.400 0.008 0.000 0.806 616 E CB -0.291 29.422 29.700 0.020 0.000 0.750 616 E HN 0.103 nan 8.360 nan 0.000 0.458 617 A N 0.716 123.398 122.820 -0.229 0.000 2.305 617 A HA 0.093 4.414 4.320 0.003 0.000 0.236 617 A C 1.149 178.532 177.584 -0.335 0.000 1.392 617 A CA 0.482 52.337 52.037 -0.304 0.000 1.205 617 A CB -0.451 18.272 19.000 -0.462 0.000 0.881 617 A HN 0.180 nan 8.150 nan 0.000 0.558 618 L N -3.001 118.083 121.223 -0.233 0.000 3.712 618 L HA 0.298 4.639 4.340 0.003 0.000 0.357 618 L C 1.224 178.018 176.870 -0.126 0.000 1.071 618 L CA 0.385 55.102 54.840 -0.205 0.000 1.346 618 L CB 0.379 42.298 42.059 -0.233 0.000 1.923 618 L HN 0.525 nan 8.230 nan 0.000 0.621 619 G N 0.328 109.070 108.800 -0.097 0.000 2.145 619 G HA2 0.178 4.139 3.960 0.003 0.000 0.176 619 G HA3 0.178 4.139 3.960 0.003 0.000 0.176 619 G C 0.429 175.279 174.900 -0.084 0.000 1.013 619 G CA -0.046 45.006 45.100 -0.080 0.000 0.689 619 G HN 0.835 nan 8.290 nan 0.000 0.506 620 G N -0.410 108.344 108.800 -0.076 0.000 2.178 620 G HA2 0.456 4.417 3.960 0.003 0.000 0.147 620 G HA3 0.456 4.417 3.960 0.003 0.000 0.147 620 G C -0.193 174.572 174.900 -0.225 0.000 1.245 620 G CA 0.452 45.478 45.100 -0.123 0.000 1.275 620 G HN 1.426 nan 8.290 nan 0.000 0.491 621 K N -0.149 120.009 120.400 -0.403 0.000 2.788 621 K HA 0.575 4.896 4.320 0.003 0.000 0.247 621 K C 0.285 176.513 176.600 -0.619 0.000 1.442 621 K CA 0.502 56.281 56.287 -0.847 0.000 0.859 621 K CB 0.024 31.723 32.500 -1.335 0.000 1.359 621 K HN 1.311 nan 8.250 nan 0.000 0.502 622 A N 0.757 123.321 122.820 -0.427 0.000 2.645 622 A HA 0.452 4.774 4.320 0.003 0.000 0.245 622 A C 0.029 177.437 177.584 -0.294 0.000 1.758 622 A CA 0.073 51.937 52.037 -0.289 0.000 0.850 622 A CB -0.037 18.851 19.000 -0.187 0.000 1.656 622 A HN 0.456 nan 8.150 nan 0.000 0.641 623 T N -0.018 114.438 114.554 -0.164 0.000 2.806 623 T HA 0.459 4.811 4.350 0.003 0.000 0.290 623 T C 0.025 174.713 174.700 -0.020 0.000 0.966 623 T CA 0.159 62.212 62.100 -0.078 0.000 1.060 623 T CB 0.260 69.122 68.868 -0.009 0.000 0.927 623 T HN 0.356 nan 8.240 nan 0.000 0.485 624 Y N 1.499 121.818 120.300 0.031 0.000 2.954 624 Y HA 0.206 4.758 4.550 0.002 0.000 0.521 624 Y C 1.620 177.563 175.900 0.073 0.000 1.395 624 Y CA 0.230 58.377 58.100 0.079 0.000 2.222 624 Y CB 0.377 38.922 38.460 0.142 0.000 1.786 624 Y HN 0.274 nan 8.280 nan 0.000 0.687 625 R N -0.300 120.413 120.500 0.355 0.000 3.090 625 R HA 0.147 4.488 4.340 0.003 0.000 0.279 625 R C -1.564 174.852 176.300 0.193 0.000 1.462 625 R CA -0.099 56.133 56.100 0.219 0.000 1.044 625 R CB 0.265 30.689 30.300 0.205 0.000 1.365 625 R HN 0.621 nan 8.270 nan 0.000 0.399 626 T N 0.776 115.408 114.554 0.130 0.000 3.258 626 T HA 0.190 4.541 4.350 0.003 0.000 0.259 626 T C 0.107 174.849 174.700 0.070 0.000 0.963 626 T CA -0.045 62.101 62.100 0.076 0.000 0.919 626 T CB 0.204 69.084 68.868 0.021 0.000 1.110 626 T HN 0.214 nan 8.240 nan 0.000 0.550 627 S N 5.113 120.867 115.700 0.091 0.000 2.422 627 S HA 0.240 4.711 4.470 0.003 0.000 0.283 627 S C -2.047 172.605 174.600 0.086 0.000 1.163 627 S CA -1.002 57.247 58.200 0.082 0.000 1.054 627 S CB 0.336 63.593 63.200 0.095 0.000 0.967 627 S HN 0.342 nan 8.310 nan 0.000 0.499 628 P HA 0.082 nan 4.420 nan 0.000 0.270 628 P C -0.415 176.934 177.300 0.082 0.000 1.242 628 P CA -0.435 62.706 63.100 0.068 0.000 0.768 628 P CB 0.403 32.134 31.700 0.052 0.000 0.820 629 R N 3.352 123.905 120.500 0.089 0.000 2.502 629 R HA 0.067 4.409 4.340 0.003 0.000 0.292 629 R C 0.516 176.873 176.300 0.095 0.000 0.998 629 R CA -0.052 56.108 56.100 0.101 0.000 1.056 629 R CB -0.143 30.216 30.300 0.099 0.000 0.939 629 R HN 0.582 nan 8.270 nan 0.000 0.411 630 L N 4.773 126.060 121.223 0.106 0.000 2.400 630 L HA 0.001 4.343 4.340 0.003 0.000 0.262 630 L C 1.880 178.811 176.870 0.102 0.000 1.309 630 L CA 0.154 55.050 54.840 0.094 0.000 1.186 630 L CB -0.240 41.875 42.059 0.093 0.000 1.375 630 L HN 0.580 nan 8.230 nan 0.000 0.433 631 K N 1.404 121.860 120.400 0.093 0.000 1.975 631 K HA -0.191 4.131 4.320 0.003 0.000 0.217 631 K C 1.590 178.253 176.600 0.105 0.000 1.037 631 K CA 1.641 57.989 56.287 0.102 0.000 0.971 631 K CB 0.063 32.617 32.500 0.091 0.000 0.749 631 K HN 0.469 nan 8.250 nan 0.000 0.444 632 D N 0.312 120.766 120.400 0.091 0.000 2.117 632 D HA -0.104 4.537 4.640 0.003 0.000 0.198 632 D C 1.571 177.910 176.300 0.065 0.000 0.982 632 D CA 1.209 55.259 54.000 0.084 0.000 0.828 632 D CB 0.071 40.913 40.800 0.071 0.000 0.967 632 D HN 0.072 nan 8.370 nan 0.000 0.464 633 K N 0.901 121.333 120.400 0.054 0.000 2.519 633 K HA -0.098 4.224 4.320 0.003 0.000 0.196 633 K C 1.773 178.389 176.600 0.027 0.000 1.041 633 K CA 0.298 56.604 56.287 0.032 0.000 0.954 633 K CB -0.140 32.377 32.500 0.027 0.000 0.774 633 K HN 0.180 nan 8.250 nan 0.000 0.480 634 K N 0.729 121.169 120.400 0.066 0.000 2.034 634 K HA -0.216 4.106 4.320 0.003 0.000 0.214 634 K C 2.011 178.660 176.600 0.081 0.000 1.051 634 K CA 1.921 58.265 56.287 0.095 0.000 0.931 634 K CB -0.155 32.435 32.500 0.150 0.000 0.715 634 K HN 0.165 nan 8.250 nan 0.000 0.446 635 M N 0.717 120.372 119.600 0.093 0.000 2.358 635 M HA -0.167 4.314 4.480 0.003 0.000 0.264 635 M C 0.855 177.165 176.300 0.016 0.000 1.064 635 M CA 1.639 56.997 55.300 0.097 0.000 1.093 635 M CB 0.104 32.782 32.600 0.130 0.000 1.401 635 M HN 0.224 nan 8.290 nan 0.000 0.440 636 D N -0.119 120.272 120.400 -0.015 0.000 2.162 636 D HA -0.008 4.633 4.640 0.003 0.000 0.205 636 D C 1.843 178.079 176.300 -0.107 0.000 0.964 636 D CA 1.365 55.337 54.000 -0.046 0.000 0.847 636 D CB 0.052 40.834 40.800 -0.031 0.000 0.988 636 D HN 0.462 nan 8.370 nan 0.000 0.480 637 A N 0.413 123.116 122.820 -0.194 0.000 1.970 637 A HA -0.085 4.236 4.320 0.003 0.000 0.216 637 A C 0.455 177.588 177.584 -0.752 0.000 1.170 637 A CA 0.984 52.748 52.037 -0.454 0.000 0.645 637 A CB -0.310 18.386 19.000 -0.507 0.000 0.816 637 A HN 0.245 nan 8.150 nan 0.000 0.447 638 H N -0.469 118.436 119.070 -0.275 0.000 2.380 638 H HA 0.277 4.834 4.556 0.002 0.000 0.231 638 H C -2.774 172.524 175.328 -0.050 0.000 1.415 638 H CA -1.801 54.050 56.048 -0.329 0.000 1.433 638 H CB 0.652 29.913 29.762 -0.835 0.000 1.544 638 H HN 0.301 nan 8.280 nan 0.000 0.503 639 P HA 0.056 nan 4.420 nan 0.000 0.269 639 P C -2.574 174.814 177.300 0.148 0.000 1.209 639 P CA -1.279 61.856 63.100 0.059 0.000 0.776 639 P CB 0.969 32.675 31.700 0.010 0.000 0.876 640 P HA 0.248 nan 4.420 nan 0.000 0.269 640 P C -0.267 177.223 177.300 0.317 0.000 1.215 640 P CA 0.198 63.303 63.100 0.008 0.000 0.780 640 P CB 0.535 31.919 31.700 -0.527 0.000 0.898 641 R N 1.035 121.662 120.500 0.211 0.000 2.725 641 R HA 0.657 4.998 4.340 0.003 0.000 0.277 641 R C -1.371 174.857 176.300 -0.121 0.000 0.987 641 R CA -1.054 55.119 56.100 0.121 0.000 0.901 641 R CB 1.589 31.961 30.300 0.120 0.000 1.207 641 R HN 0.278 nan 8.270 nan 0.000 0.463 642 L N 2.682 123.737 121.223 -0.280 0.000 2.333 642 L HA 0.615 4.957 4.340 0.003 0.000 0.280 642 L C -1.621 175.017 176.870 -0.386 0.000 1.004 642 L CA -0.226 54.447 54.840 -0.277 0.000 0.820 642 L CB 1.005 42.917 42.059 -0.246 0.000 1.247 642 L HN 0.497 nan 8.230 nan 0.000 0.416 643 F N 2.851 122.799 119.950 -0.003 0.000 2.640 643 F HA 0.862 5.390 4.527 0.002 0.000 0.324 643 F C 0.158 175.976 175.800 0.030 0.000 1.077 643 F CA -0.655 57.359 58.000 0.023 0.000 0.965 643 F CB 1.761 40.769 39.000 0.015 0.000 1.351 643 F HN 0.545 nan 8.300 nan 0.000 0.487 644 A N 0.319 123.289 122.820 0.249 0.000 2.337 644 A HA 0.707 5.028 4.320 0.003 0.000 0.329 644 A C -1.335 176.309 177.584 0.100 0.000 1.146 644 A CA -0.532 51.593 52.037 0.148 0.000 0.800 644 A CB 0.778 19.841 19.000 0.105 0.000 1.220 644 A HN 0.834 nan 8.150 nan 0.000 0.472 645 C N 1.249 120.594 119.300 0.076 0.000 2.355 645 C HA 0.823 5.284 4.460 0.003 0.000 0.332 645 C C 0.289 175.276 174.990 -0.004 0.000 1.255 645 C CA -0.149 58.880 59.018 0.018 0.000 1.792 645 C CB 0.826 28.634 27.740 0.113 0.000 2.300 645 C HN 0.815 nan 8.230 nan 0.000 0.515 646 S N 2.253 117.898 115.700 -0.092 0.000 2.668 646 S HA 0.323 4.794 4.470 0.003 0.000 0.277 646 S C 0.054 174.643 174.600 -0.018 0.000 1.170 646 S CA -0.599 57.577 58.200 -0.039 0.000 0.994 646 S CB 0.997 64.170 63.200 -0.045 0.000 1.051 646 S HN 0.845 nan 8.310 nan 0.000 0.484 647 N N 1.048 119.796 118.700 0.080 0.000 2.197 647 N HA 0.065 4.806 4.740 0.003 0.000 0.201 647 N C -0.600 174.963 175.510 0.087 0.000 1.148 647 N CA -0.223 52.913 53.050 0.144 0.000 0.883 647 N CB 0.401 38.990 38.487 0.170 0.000 1.012 647 N HN 0.441 nan 8.380 nan 0.000 0.507 648 K N 2.251 122.684 120.400 0.056 0.000 2.472 648 K HA -0.120 4.201 4.320 0.003 0.000 0.269 648 K C 0.079 176.707 176.600 0.046 0.000 1.056 648 K CA 0.564 56.877 56.287 0.044 0.000 1.158 648 K CB 0.204 32.725 32.500 0.034 0.000 0.821 648 K HN 0.152 nan 8.250 nan 0.000 0.486 649 I N 1.799 122.395 120.570 0.042 0.000 7.004 649 I HA -0.236 3.935 4.170 0.003 0.000 0.126 649 I C 1.151 177.297 176.117 0.047 0.000 1.826 649 I CA 1.304 62.628 61.300 0.040 0.000 2.066 649 I CB -2.697 35.325 38.000 0.037 0.000 3.565 649 I HN 1.135 nan 8.210 nan 0.000 0.178 650 G N 2.470 111.300 108.800 0.051 0.000 2.320 650 G HA2 -0.354 3.607 3.960 0.003 0.000 0.291 650 G HA3 -0.354 3.607 3.960 0.003 0.000 0.291 650 G C 0.478 175.424 174.900 0.076 0.000 0.994 650 G CA 1.181 46.315 45.100 0.057 0.000 0.760 650 G HN 0.846 nan 8.290 nan 0.000 0.514 651 R N -0.754 119.798 120.500 0.087 0.000 2.437 651 R HA 0.639 4.981 4.340 0.003 0.000 0.310 651 R C -0.950 175.438 176.300 0.146 0.000 0.955 651 R CA -1.608 54.554 56.100 0.103 0.000 0.851 651 R CB 0.323 30.663 30.300 0.067 0.000 1.161 651 R HN 0.148 nan 8.270 nan 0.000 0.446 652 F N 5.598 125.566 119.950 0.030 0.000 2.391 652 F HA 0.595 5.124 4.527 0.002 0.000 0.359 652 F C -1.129 174.698 175.800 0.046 0.000 1.122 652 F CA -0.500 57.521 58.000 0.036 0.000 1.120 652 F CB 0.939 39.956 39.000 0.028 0.000 1.142 652 F HN 0.289 nan 8.300 nan 0.000 0.483 653 V N 8.333 127.910 119.914 -0.562 0.000 2.789 653 V HA 0.647 4.769 4.120 0.003 0.000 0.311 653 V C -0.936 174.854 176.094 -0.507 0.000 1.073 653 V CA -0.792 61.261 62.300 -0.412 0.000 0.921 653 V CB 2.202 33.939 31.823 -0.142 0.000 1.009 653 V HN 0.689 nan 8.190 nan 0.000 0.426 654 I N 2.156 122.548 120.570 -0.297 0.000 2.545 654 I HA 0.735 4.907 4.170 0.003 0.000 0.292 654 I C -0.825 175.346 176.117 0.090 0.000 1.040 654 I CA -0.416 60.813 61.300 -0.118 0.000 1.068 654 I CB 2.020 39.974 38.000 -0.076 0.000 1.251 654 I HN 0.665 nan 8.210 nan 0.000 0.424 655 E N 4.897 125.196 120.200 0.165 0.000 2.224 655 E HA 0.233 4.585 4.350 0.003 0.000 0.265 655 E C -1.170 175.584 176.600 0.256 0.000 0.878 655 E CA -0.634 55.883 56.400 0.194 0.000 0.759 655 E CB 2.012 31.777 29.700 0.108 0.000 1.164 655 E HN 0.801 nan 8.360 nan 0.000 0.414 656 E N 3.029 123.370 120.200 0.234 0.000 2.354 656 E HA 0.153 4.505 4.350 0.003 0.000 0.269 656 E C -0.999 175.552 176.600 -0.083 0.000 1.036 656 E CA -0.469 55.883 56.400 -0.079 0.000 0.876 656 E CB 1.394 30.967 29.700 -0.212 0.000 1.009 656 E HN 0.249 nan 8.360 nan 0.000 0.416 657 V N 6.493 126.325 119.914 -0.138 0.000 2.333 657 V HA 0.470 4.592 4.120 0.003 0.000 0.274 657 V C -2.320 173.721 176.094 -0.089 0.000 1.028 657 V CA -1.947 60.325 62.300 -0.046 0.000 0.851 657 V CB 1.172 33.012 31.823 0.027 0.000 1.000 657 V HN 0.697 nan 8.190 nan 0.000 0.456 658 P HA 0.579 nan 4.420 nan 0.000 0.274 658 P C 0.326 177.551 177.300 -0.126 0.000 1.246 658 P CA 1.094 64.109 63.100 -0.142 0.000 0.795 658 P CB 1.259 32.891 31.700 -0.114 0.000 1.006 659 G N 0.855 109.550 108.800 -0.176 0.000 2.685 659 G HA2 -0.138 3.823 3.960 0.003 0.000 0.387 659 G HA3 -0.138 3.823 3.960 0.003 0.000 0.387 659 G C -0.927 173.874 174.900 -0.166 0.000 1.324 659 G CA -0.697 44.324 45.100 -0.132 0.000 0.878 659 G HN 0.612 nan 8.290 nan 0.000 0.527 660 E N -0.302 119.822 120.200 -0.127 0.000 2.392 660 E HA 0.353 4.705 4.350 0.003 0.000 0.264 660 E C -0.052 176.451 176.600 -0.162 0.000 1.024 660 E CA -0.146 56.157 56.400 -0.163 0.000 0.903 660 E CB 0.298 29.910 29.700 -0.147 0.000 0.963 660 E HN 0.315 nan 8.360 nan 0.000 0.432 661 F N 2.726 122.602 119.950 -0.125 0.000 2.571 661 F HA 0.065 4.593 4.527 0.002 0.000 0.384 661 F C 0.548 176.246 175.800 -0.171 0.000 1.058 661 F CA 0.438 58.226 58.000 -0.353 0.000 1.200 661 F CB -0.195 38.261 39.000 -0.906 0.000 1.077 661 F HN 0.204 nan 8.300 nan 0.000 0.558 662 M N 2.851 122.622 119.600 0.285 0.000 2.395 662 M HA 0.218 4.699 4.480 0.003 0.000 0.307 662 M C 0.999 177.510 176.300 0.352 0.000 1.091 662 M CA -0.657 54.831 55.300 0.313 0.000 0.919 662 M CB 2.445 35.100 32.600 0.092 0.000 1.662 662 M HN 0.656 nan 8.290 nan 0.000 0.440 663 Q N 1.213 121.039 119.800 0.044 0.000 2.226 663 Q HA -0.179 4.162 4.340 0.003 0.000 0.204 663 Q C 0.700 176.398 176.000 -0.503 0.000 0.975 663 Q CA 1.916 57.401 55.803 -0.530 0.000 0.866 663 Q CB 0.366 28.397 28.738 -1.178 0.000 0.915 663 Q HN 0.691 nan 8.270 nan 0.000 0.440 664 E N 0.733 120.720 120.200 -0.355 0.000 2.268 664 E HA -0.143 4.208 4.350 0.003 0.000 0.195 664 E C 1.111 177.822 176.600 0.186 0.000 0.995 664 E CA 1.115 57.447 56.400 -0.113 0.000 0.836 664 E CB 0.000 29.668 29.700 -0.054 0.000 0.763 664 E HN 0.401 nan 8.360 nan 0.000 0.491 665 D N -0.269 120.223 120.400 0.153 0.000 2.347 665 D HA -0.045 4.597 4.640 0.003 0.000 0.215 665 D C -0.217 176.161 176.300 0.131 0.000 0.976 665 D CA 0.292 54.443 54.000 0.253 0.000 0.884 665 D CB 0.153 41.071 40.800 0.196 0.000 0.915 665 D HN 0.099 nan 8.370 nan 0.000 0.526 666 L N 1.582 122.804 121.223 -0.003 0.000 2.401 666 L HA 0.218 4.559 4.340 0.003 0.000 0.283 666 L C 0.336 177.162 176.870 -0.074 0.000 1.151 666 L CA -0.897 53.793 54.840 -0.251 0.000 0.942 666 L CB -0.265 41.394 42.059 -0.667 0.000 1.283 666 L HN -0.173 nan 8.230 nan 0.000 0.442 667 A N 1.888 124.554 122.820 -0.255 0.000 2.484 667 A HA 0.284 4.605 4.320 0.003 0.000 0.268 667 A C 1.560 179.161 177.584 0.029 0.000 1.114 667 A CA 0.299 52.062 52.037 -0.456 0.000 0.780 667 A CB -0.174 18.290 19.000 -0.893 0.000 1.061 667 A HN 0.837 nan 8.150 nan 0.000 0.505 668 T N -0.261 114.352 114.554 0.098 0.000 2.996 668 T HA -0.162 4.190 4.350 0.003 0.000 0.271 668 T C 0.623 175.311 174.700 -0.019 0.000 1.126 668 T CA 1.563 63.702 62.100 0.065 0.000 1.103 668 T CB -0.333 68.510 68.868 -0.041 0.000 0.870 668 T HN 0.722 nan 8.240 nan 0.000 0.528 669 D N -0.570 119.818 120.400 -0.020 0.000 2.462 669 D HA 0.181 4.822 4.640 0.003 0.000 0.221 669 D C -0.242 176.049 176.300 -0.014 0.000 1.173 669 D CA -0.469 53.515 54.000 -0.028 0.000 0.831 669 D CB 0.054 40.845 40.800 -0.016 0.000 1.001 669 D HN 0.281 nan 8.370 nan 0.000 0.499 670 D N -0.204 120.211 120.400 0.026 0.000 2.414 670 D HA 0.387 5.028 4.640 0.003 0.000 0.241 670 D C -0.664 175.719 176.300 0.137 0.000 1.008 670 D CA -0.734 53.304 54.000 0.065 0.000 1.001 670 D CB 3.133 43.960 40.800 0.045 0.000 1.277 670 D HN -0.225 nan 8.370 nan 0.000 0.538 671 V N 2.492 122.487 119.914 0.135 0.000 2.376 671 V HA 0.281 4.402 4.120 0.003 0.000 0.287 671 V C -0.029 176.199 176.094 0.223 0.000 1.015 671 V CA -0.624 61.773 62.300 0.160 0.000 0.834 671 V CB 1.174 33.051 31.823 0.090 0.000 1.001 671 V HN 0.399 nan 8.190 nan 0.000 0.428 672 M N 5.563 125.378 119.600 0.358 0.000 2.444 672 M HA 0.607 5.089 4.480 0.003 0.000 0.319 672 M C -0.653 175.818 176.300 0.285 0.000 1.183 672 M CA -0.541 54.945 55.300 0.310 0.000 1.032 672 M CB 1.714 34.508 32.600 0.324 0.000 1.569 672 M HN 0.327 nan 8.290 nan 0.000 0.468 673 L N 2.933 124.285 121.223 0.215 0.000 2.372 673 L HA 0.487 4.829 4.340 0.003 0.000 0.274 673 L C -0.820 176.146 176.870 0.160 0.000 0.988 673 L CA -0.378 54.548 54.840 0.145 0.000 0.833 673 L CB 1.842 43.849 42.059 -0.087 0.000 1.236 673 L HN 0.517 nan 8.230 nan 0.000 0.410 674 L N 3.981 125.338 121.223 0.223 0.000 2.270 674 L HA 0.282 4.623 4.340 0.003 0.000 0.286 674 L C -0.372 176.580 176.870 0.137 0.000 1.059 674 L CA -0.304 54.584 54.840 0.079 0.000 0.839 674 L CB 0.943 43.042 42.059 0.067 0.000 1.221 674 L HN 0.564 nan 8.230 nan 0.000 0.431 675 D N 3.550 124.008 120.400 0.097 0.000 2.453 675 D HA 0.113 4.754 4.640 0.003 0.000 0.223 675 D C 0.189 176.585 176.300 0.159 0.000 1.183 675 D CA 0.040 54.134 54.000 0.158 0.000 0.933 675 D CB 0.758 41.733 40.800 0.292 0.000 1.038 675 D HN 0.359 nan 8.370 nan 0.000 0.513 676 T N 2.916 117.572 114.554 0.171 0.000 2.754 676 T HA -0.004 4.347 4.350 0.003 0.000 0.286 676 T C 0.986 175.847 174.700 0.268 0.000 0.997 676 T CA -0.572 61.640 62.100 0.187 0.000 0.982 676 T CB 0.865 69.926 68.868 0.323 0.000 1.027 676 T HN 0.524 nan 8.240 nan 0.000 0.529 677 W N 0.522 121.884 121.300 0.104 0.000 2.481 677 W HA -0.043 4.618 4.660 0.002 0.000 0.293 677 W C 0.914 177.453 176.519 0.033 0.000 1.201 677 W CA 0.621 57.997 57.345 0.053 0.000 1.328 677 W CB 0.072 29.544 29.460 0.020 0.000 1.112 677 W HN 0.609 nan 8.180 nan 0.000 0.546 678 D N 0.218 120.720 120.400 0.170 0.000 2.371 678 D HA -0.057 4.585 4.640 0.003 0.000 0.221 678 D C 0.516 176.808 176.300 -0.013 0.000 0.986 678 D CA 1.099 55.133 54.000 0.057 0.000 0.899 678 D CB 0.376 41.273 40.800 0.161 0.000 0.902 678 D HN 0.264 nan 8.370 nan 0.000 0.530 679 Q N -0.658 119.141 119.800 -0.002 0.000 2.647 679 Q HA 0.303 4.644 4.340 0.003 0.000 0.283 679 Q C -2.204 173.773 176.000 -0.038 0.000 0.943 679 Q CA -0.598 55.165 55.803 -0.066 0.000 0.813 679 Q CB 1.555 30.230 28.738 -0.106 0.000 1.477 679 Q HN -0.199 nan 8.270 nan 0.000 0.393 680 V N 3.099 122.956 119.914 -0.094 0.000 2.378 680 V HA 0.496 4.618 4.120 0.003 0.000 0.288 680 V C -0.895 175.177 176.094 -0.036 0.000 1.016 680 V CA -0.434 61.860 62.300 -0.011 0.000 0.840 680 V CB 0.936 32.760 31.823 0.001 0.000 0.994 680 V HN 0.610 nan 8.190 nan 0.000 0.431 681 F N 3.618 123.639 119.950 0.118 0.000 2.394 681 F HA 0.581 5.109 4.527 0.002 0.000 0.340 681 F C 0.238 176.133 175.800 0.158 0.000 1.105 681 F CA -0.356 57.755 58.000 0.185 0.000 1.124 681 F CB 1.861 41.102 39.000 0.400 0.000 1.145 681 F HN 0.305 nan 8.300 nan 0.000 0.505 682 V N 5.426 125.522 119.914 0.303 0.000 2.376 682 V HA 0.375 4.497 4.120 0.003 0.000 0.287 682 V C -1.685 174.535 176.094 0.211 0.000 1.015 682 V CA -0.701 61.729 62.300 0.217 0.000 0.834 682 V CB 0.759 32.644 31.823 0.104 0.000 1.001 682 V HN 0.767 nan 8.190 nan 0.000 0.428 683 W N 7.563 128.896 121.300 0.055 0.000 2.335 683 W HA 0.664 5.325 4.660 0.002 0.000 0.307 683 W C -0.411 176.094 176.519 -0.023 0.000 1.117 683 W CA -0.664 56.652 57.345 -0.048 0.000 1.228 683 W CB 1.749 31.217 29.460 0.014 0.000 1.240 683 W HN 0.652 nan 8.180 nan 0.000 0.468 684 V N 5.276 124.827 119.914 -0.604 0.000 2.384 684 V HA 0.801 4.923 4.120 0.003 0.000 0.287 684 V C 0.484 175.975 176.094 -1.005 0.000 1.020 684 V CA -0.765 61.210 62.300 -0.541 0.000 0.850 684 V CB 0.520 32.155 31.823 -0.314 0.000 0.987 684 V HN 0.790 nan 8.190 nan 0.000 0.436 685 G N 3.079 111.416 108.800 -0.773 0.000 2.491 685 G HA2 0.186 4.148 3.960 0.003 0.000 0.238 685 G HA3 0.186 4.148 3.960 0.003 0.000 0.238 685 G C 0.534 175.164 174.900 -0.450 0.000 1.277 685 G CA -0.087 44.592 45.100 -0.702 0.000 0.851 685 G HN 1.011 nan 8.290 nan 0.000 0.573 686 K N 0.382 120.531 120.400 -0.418 0.000 2.044 686 K HA -0.131 4.190 4.320 0.003 0.000 0.210 686 K C 0.749 177.248 176.600 -0.169 0.000 1.049 686 K CA 1.690 57.818 56.287 -0.265 0.000 0.927 686 K CB 0.039 32.401 32.500 -0.231 0.000 0.713 686 K HN 0.547 nan 8.250 nan 0.000 0.443 687 D N 1.104 121.421 120.400 -0.138 0.000 2.370 687 D HA 0.005 4.646 4.640 0.003 0.000 0.230 687 D C 0.327 176.588 176.300 -0.065 0.000 1.143 687 D CA 0.051 54.002 54.000 -0.080 0.000 0.834 687 D CB 0.335 41.105 40.800 -0.049 0.000 0.944 687 D HN 0.199 nan 8.370 nan 0.000 0.504 688 S N -0.446 115.201 115.700 -0.087 0.000 2.655 688 S HA 0.167 4.639 4.470 0.003 0.000 0.265 688 S C 0.349 174.921 174.600 -0.047 0.000 1.240 688 S CA -0.804 57.361 58.200 -0.059 0.000 0.986 688 S CB 1.732 64.890 63.200 -0.070 0.000 0.985 688 S HN 0.123 nan 8.310 nan 0.000 0.562 689 Q N -0.349 119.435 119.800 -0.027 0.000 2.327 689 Q HA 0.123 4.465 4.340 0.003 0.000 0.254 689 Q C -0.001 175.983 176.000 -0.026 0.000 0.952 689 Q CA -0.259 55.532 55.803 -0.020 0.000 0.884 689 Q CB 0.613 29.348 28.738 -0.005 0.000 1.224 689 Q HN 0.729 nan 8.270 nan 0.000 0.422 690 D N 1.956 122.340 120.400 -0.027 0.000 2.116 690 D HA -0.252 4.390 4.640 0.003 0.000 0.193 690 D C 1.179 177.465 176.300 -0.023 0.000 0.998 690 D CA 2.067 56.049 54.000 -0.030 0.000 0.836 690 D CB 0.137 40.921 40.800 -0.026 0.000 0.951 690 D HN 0.775 nan 8.370 nan 0.000 0.449 691 E N 0.309 120.502 120.200 -0.012 0.000 2.515 691 E HA -0.126 4.226 4.350 0.003 0.000 0.201 691 E C 1.249 177.851 176.600 0.003 0.000 1.071 691 E CA 0.739 57.137 56.400 -0.005 0.000 0.880 691 E CB -0.084 29.618 29.700 0.002 0.000 0.828 691 E HN 0.385 nan 8.360 nan 0.000 0.540 692 E N 1.090 121.290 120.200 0.001 0.000 2.290 692 E HA -0.031 4.321 4.350 0.003 0.000 0.197 692 E C 1.763 178.363 176.600 -0.001 0.000 0.948 692 E CA 0.443 56.851 56.400 0.013 0.000 0.895 692 E CB 0.225 29.937 29.700 0.020 0.000 0.865 692 E HN 0.358 nan 8.360 nan 0.000 0.486 693 K N 0.500 120.884 120.400 -0.027 0.000 2.366 693 K HA 0.092 4.413 4.320 0.003 0.000 0.198 693 K C 1.688 178.263 176.600 -0.042 0.000 1.044 693 K CA 1.013 57.271 56.287 -0.049 0.000 0.973 693 K CB 0.056 32.507 32.500 -0.082 0.000 0.767 693 K HN -0.173 nan 8.250 nan 0.000 0.475 694 T N 1.521 116.056 114.554 -0.031 0.000 2.978 694 T HA 0.012 4.364 4.350 0.003 0.000 0.262 694 T C 1.042 175.729 174.700 -0.022 0.000 1.063 694 T CA 0.822 62.904 62.100 -0.030 0.000 1.140 694 T CB 0.051 68.903 68.868 -0.026 0.000 0.886 694 T HN 0.246 nan 8.240 nan 0.000 0.470 695 E N 1.132 121.327 120.200 -0.009 0.000 2.476 695 E HA 0.323 4.674 4.350 0.003 0.000 0.191 695 E C 2.029 178.632 176.600 0.006 0.000 1.064 695 E CA 0.010 56.408 56.400 -0.002 0.000 0.866 695 E CB -0.190 29.519 29.700 0.016 0.000 0.952 695 E HN 0.444 nan 8.360 nan 0.000 0.492 696 A N 1.538 124.358 122.820 0.000 0.000 1.859 696 A HA -0.237 4.085 4.320 0.003 0.000 0.218 696 A C 2.248 179.835 177.584 0.005 0.000 1.209 696 A CA 1.466 53.508 52.037 0.009 0.000 0.639 696 A CB -0.885 18.107 19.000 -0.014 0.000 0.835 696 A HN 0.293 nan 8.150 nan 0.000 0.450 697 L N -0.899 120.314 121.223 -0.016 0.000 2.043 697 L HA -0.213 4.129 4.340 0.003 0.000 0.212 697 L C 2.860 179.707 176.870 -0.038 0.000 1.075 697 L CA 1.960 56.785 54.840 -0.026 0.000 0.752 697 L CB -0.842 41.196 42.059 -0.035 0.000 0.891 697 L HN 0.452 nan 8.230 nan 0.000 0.432 698 T N -1.217 113.310 114.554 -0.046 0.000 2.788 698 T HA -0.168 4.184 4.350 0.003 0.000 0.268 698 T C 2.093 176.722 174.700 -0.119 0.000 1.044 698 T CA 1.573 63.625 62.100 -0.079 0.000 1.139 698 T CB -0.131 68.695 68.868 -0.069 0.000 0.867 698 T HN 0.310 nan 8.240 nan 0.000 0.454 699 S N 1.527 117.197 115.700 -0.051 0.000 2.356 699 S HA -0.040 4.432 4.470 0.003 0.000 0.223 699 S C 2.631 177.229 174.600 -0.002 0.000 1.032 699 S CA 0.960 59.154 58.200 -0.008 0.000 1.005 699 S CB -0.656 62.662 63.200 0.198 0.000 0.867 699 S HN 0.607 nan 8.310 nan 0.000 0.449 700 A N 2.020 124.858 122.820 0.030 0.000 1.865 700 A HA -0.200 4.121 4.320 0.003 0.000 0.217 700 A C 2.066 179.670 177.584 0.033 0.000 1.191 700 A CA 1.803 53.873 52.037 0.056 0.000 0.623 700 A CB -0.574 18.437 19.000 0.019 0.000 0.826 700 A HN 0.473 nan 8.150 nan 0.000 0.444 701 K N -0.701 119.666 120.400 -0.055 0.000 2.032 701 K HA -0.158 4.164 4.320 0.003 0.000 0.209 701 K C 2.351 178.857 176.600 -0.156 0.000 1.048 701 K CA 1.599 57.828 56.287 -0.098 0.000 0.927 701 K CB -0.247 32.184 32.500 -0.114 0.000 0.712 701 K HN 0.386 nan 8.250 nan 0.000 0.441 702 R N -0.128 120.204 120.500 -0.281 0.000 2.083 702 R HA -0.210 4.132 4.340 0.003 0.000 0.237 702 R C 2.376 178.496 176.300 -0.300 0.000 1.137 702 R CA 1.918 57.733 56.100 -0.475 0.000 0.951 702 R CB -0.626 28.990 30.300 -1.140 0.000 0.851 702 R HN 0.341 nan 8.270 nan 0.000 0.434 703 Y N 1.509 121.668 120.300 -0.237 0.000 2.128 703 Y HA -0.224 4.328 4.550 0.003 0.000 0.284 703 Y C 2.072 177.923 175.900 -0.082 0.000 1.154 703 Y CA 1.684 59.777 58.100 -0.012 0.000 1.149 703 Y CB -0.214 38.269 38.460 0.038 0.000 0.976 703 Y HN -0.046 nan 8.280 nan 0.000 0.505 704 I N 0.050 120.555 120.570 -0.107 0.000 2.353 704 I HA -0.256 3.916 4.170 0.003 0.000 0.248 704 I C 1.575 177.550 176.117 -0.236 0.000 1.119 704 I CA 1.389 62.564 61.300 -0.208 0.000 1.417 704 I CB -0.419 37.525 38.000 -0.092 0.000 1.078 704 I HN 0.230 nan 8.210 nan 0.000 0.421 705 D N 0.189 120.471 120.400 -0.197 0.000 2.312 705 D HA -0.087 4.555 4.640 0.003 0.000 0.211 705 D C 1.932 178.121 176.300 -0.185 0.000 0.964 705 D CA 1.089 54.977 54.000 -0.186 0.000 0.877 705 D CB 0.075 40.776 40.800 -0.166 0.000 0.924 705 D HN 0.279 nan 8.370 nan 0.000 0.515 706 T N 0.075 114.512 114.554 -0.196 0.000 3.051 706 T HA -0.059 4.292 4.350 0.003 0.000 0.255 706 T C 0.612 175.219 174.700 -0.154 0.000 1.085 706 T CA -0.261 61.756 62.100 -0.139 0.000 1.109 706 T CB 0.361 69.188 68.868 -0.069 0.000 0.921 706 T HN 0.045 nan 8.240 nan 0.000 0.488 707 D N 2.147 122.381 120.400 -0.277 0.000 2.531 707 D HA -0.013 4.628 4.640 0.003 0.000 0.239 707 D C -1.783 174.487 176.300 -0.050 0.000 1.144 707 D CA -1.395 52.463 54.000 -0.238 0.000 0.869 707 D CB 1.544 42.162 40.800 -0.305 0.000 1.160 707 D HN 0.070 nan 8.370 nan 0.000 0.484 708 P HA -0.072 nan 4.420 nan 0.000 0.222 708 P C 0.724 177.968 177.300 -0.092 0.000 1.147 708 P CA 0.953 64.059 63.100 0.011 0.000 0.790 708 P CB 0.179 31.802 31.700 -0.128 0.000 0.780 709 A N -1.190 121.564 122.820 -0.111 0.000 2.168 709 A HA -0.143 4.178 4.320 0.003 0.000 0.215 709 A C 0.443 178.073 177.584 0.077 0.000 1.152 709 A CA 0.409 52.411 52.037 -0.057 0.000 0.716 709 A CB -1.499 17.596 19.000 0.157 0.000 0.794 709 A HN 0.341 nan 8.150 nan 0.000 0.465 710 H N -0.319 118.692 119.070 -0.098 0.000 2.677 710 H HA -0.138 4.419 4.556 0.002 0.000 0.321 710 H C -0.101 175.177 175.328 -0.084 0.000 1.171 710 H CA 0.202 56.195 56.048 -0.092 0.000 1.139 710 H CB -1.168 28.546 29.762 -0.081 0.000 1.515 710 H HN 0.780 nan 8.280 nan 0.000 0.423 711 R N 0.633 121.112 120.500 -0.036 0.000 2.615 711 R HA 0.200 4.542 4.340 0.003 0.000 0.270 711 R C 0.005 176.222 176.300 -0.138 0.000 1.081 711 R CA -0.748 55.274 56.100 -0.130 0.000 1.154 711 R CB 0.770 30.852 30.300 -0.363 0.000 1.063 711 R HN 0.121 nan 8.270 nan 0.000 0.519 712 D N 0.592 120.910 120.400 -0.137 0.000 2.520 712 D HA -0.057 4.584 4.640 0.003 0.000 0.243 712 D C 0.601 176.816 176.300 -0.142 0.000 1.160 712 D CA 0.329 54.259 54.000 -0.116 0.000 0.877 712 D CB 0.670 41.410 40.800 -0.100 0.000 1.150 712 D HN 0.404 nan 8.370 nan 0.000 0.494 713 R N 2.763 123.188 120.500 -0.124 0.000 2.328 713 R HA -0.026 4.316 4.340 0.003 0.000 0.207 713 R C 1.445 177.673 176.300 -0.121 0.000 1.056 713 R CA 0.647 56.671 56.100 -0.127 0.000 1.016 713 R CB 0.123 30.351 30.300 -0.119 0.000 0.872 713 R HN 0.441 nan 8.270 nan 0.000 0.471 714 R N -0.245 120.184 120.500 -0.118 0.000 2.297 714 R HA 0.051 4.393 4.340 0.003 0.000 0.197 714 R C 0.201 176.431 176.300 -0.116 0.000 0.943 714 R CA 0.183 56.212 56.100 -0.117 0.000 1.038 714 R CB 0.160 30.393 30.300 -0.111 0.000 0.957 714 R HN -0.007 nan 8.270 nan 0.000 0.484 715 T N 4.741 119.217 114.554 -0.131 0.000 2.718 715 T HA -0.028 4.323 4.350 0.003 0.000 0.265 715 T C -2.153 172.482 174.700 -0.108 0.000 1.014 715 T CA -0.438 61.578 62.100 -0.140 0.000 1.172 715 T CB 0.296 69.051 68.868 -0.189 0.000 1.007 715 T HN 0.138 nan 8.240 nan 0.000 0.500 716 P HA 0.164 nan 4.420 nan 0.000 0.265 716 P C -0.488 176.757 177.300 -0.091 0.000 1.187 716 P CA 0.089 63.148 63.100 -0.069 0.000 0.766 716 P CB 0.553 32.230 31.700 -0.038 0.000 0.820 717 I N 2.331 122.854 120.570 -0.078 0.000 2.436 717 I HA 0.259 4.430 4.170 0.003 0.000 0.289 717 I C 0.082 176.139 176.117 -0.100 0.000 1.010 717 I CA -0.367 60.880 61.300 -0.088 0.000 1.098 717 I CB 2.047 40.013 38.000 -0.056 0.000 1.266 717 I HN 0.173 nan 8.210 nan 0.000 0.434 718 T N 5.389 119.847 114.554 -0.160 0.000 2.815 718 T HA 0.381 4.733 4.350 0.003 0.000 0.289 718 T C -0.265 174.415 174.700 -0.032 0.000 1.000 718 T CA -0.454 61.553 62.100 -0.154 0.000 0.958 718 T CB 1.745 70.389 68.868 -0.372 0.000 0.944 718 T HN 0.140 nan 8.240 nan 0.000 0.442 719 V N 4.358 124.261 119.914 -0.018 0.000 2.406 719 V HA 0.447 4.568 4.120 0.003 0.000 0.272 719 V C 0.119 176.205 176.094 -0.014 0.000 1.043 719 V CA -0.535 61.761 62.300 -0.006 0.000 0.915 719 V CB 1.291 33.092 31.823 -0.037 0.000 0.988 719 V HN 0.667 nan 8.190 nan 0.000 0.466 720 V N 5.282 125.174 119.914 -0.037 0.000 2.715 720 V HA 0.588 4.709 4.120 0.003 0.000 0.310 720 V C -0.304 175.637 176.094 -0.254 0.000 1.054 720 V CA -0.992 61.241 62.300 -0.111 0.000 0.928 720 V CB 2.305 34.004 31.823 -0.207 0.000 1.007 720 V HN 0.835 nan 8.190 nan 0.000 0.437 721 K N 2.101 122.389 120.400 -0.186 0.000 2.221 721 K HA 0.409 4.731 4.320 0.003 0.000 0.258 721 K C -0.320 176.145 176.600 -0.224 0.000 0.944 721 K CA -0.557 55.576 56.287 -0.256 0.000 0.823 721 K CB 1.284 33.737 32.500 -0.078 0.000 1.113 721 K HN 0.684 nan 8.250 nan 0.000 0.431 722 Q N 1.112 120.567 119.800 -0.575 0.000 2.320 722 Q HA 0.037 4.379 4.340 0.003 0.000 0.311 722 Q C 0.458 176.353 176.000 -0.175 0.000 1.083 722 Q CA 1.719 57.251 55.803 -0.451 0.000 1.001 722 Q CB -0.172 28.104 28.738 -0.770 0.000 1.074 722 Q HN 0.865 nan 8.270 nan 0.000 0.379 723 G N 3.680 112.493 108.800 0.021 0.000 2.213 723 G HA2 -0.267 3.695 3.960 0.003 0.000 0.236 723 G HA3 -0.267 3.695 3.960 0.003 0.000 0.236 723 G C 0.033 174.586 174.900 -0.578 0.000 0.991 723 G CA 0.113 45.100 45.100 -0.189 0.000 0.629 723 G HN 0.645 nan 8.290 nan 0.000 0.517 724 F N 1.573 121.606 119.950 0.139 0.000 2.810 724 F HA 0.458 4.986 4.527 0.001 0.000 0.353 724 F C 0.454 176.307 175.800 0.089 0.000 1.227 724 F CA -0.798 57.266 58.000 0.107 0.000 1.210 724 F CB 0.679 39.704 39.000 0.041 0.000 1.039 724 F HN -0.014 nan 8.300 nan 0.000 0.509 725 E N 3.791 124.105 120.200 0.189 0.000 2.415 725 E HA 0.083 4.434 4.350 0.003 0.000 0.263 725 E C -2.137 174.488 176.600 0.041 0.000 0.995 725 E CA -1.380 55.043 56.400 0.038 0.000 0.915 725 E CB 0.099 29.792 29.700 -0.012 0.000 0.951 725 E HN 0.050 nan 8.360 nan 0.000 0.449 726 P HA 0.093 nan 4.420 nan 0.000 0.276 726 P C -2.225 174.989 177.300 -0.143 0.000 1.252 726 P CA -1.618 61.449 63.100 -0.054 0.000 0.802 726 P CB 0.839 32.482 31.700 -0.096 0.000 1.035 727 P HA -0.165 nan 4.420 nan 0.000 0.216 727 P C 1.651 178.772 177.300 -0.298 0.000 1.153 727 P CA 2.051 64.927 63.100 -0.373 0.000 0.858 727 P CB -0.398 30.878 31.700 -0.705 0.000 0.789 728 S N -2.817 112.760 115.700 -0.205 0.000 2.603 728 S HA -0.061 4.410 4.470 0.003 0.000 0.229 728 S C 1.516 176.049 174.600 -0.112 0.000 0.972 728 S CA 0.264 58.405 58.200 -0.098 0.000 0.935 728 S CB -1.276 61.981 63.200 0.095 0.000 0.769 728 S HN 0.081 nan 8.310 nan 0.000 0.536 729 F N 2.301 122.037 119.950 -0.357 0.000 2.390 729 F HA 0.174 4.702 4.527 0.002 0.000 0.281 729 F C 2.183 177.821 175.800 -0.270 0.000 1.016 729 F CA 0.798 58.491 58.000 -0.512 0.000 1.286 729 F CB -0.348 38.311 39.000 -0.569 0.000 1.134 729 F HN 0.081 nan 8.300 nan 0.000 0.597 730 V N -0.119 119.608 119.914 -0.312 0.000 2.469 730 V HA -0.078 4.044 4.120 0.003 0.000 0.251 730 V C 2.315 178.301 176.094 -0.179 0.000 1.064 730 V CA 2.067 64.034 62.300 -0.554 0.000 1.066 730 V CB -2.080 29.167 31.823 -0.959 0.000 0.667 730 V HN 0.422 nan 8.190 nan 0.000 0.461 731 G N -0.847 107.811 108.800 -0.237 0.000 2.532 731 G HA2 -0.278 3.684 3.960 0.003 0.000 0.222 731 G HA3 -0.278 3.684 3.960 0.003 0.000 0.222 731 G C 1.150 175.933 174.900 -0.195 0.000 1.102 731 G CA 0.818 45.772 45.100 -0.242 0.000 0.742 731 G HN 0.744 nan 8.290 nan 0.000 0.577 732 W N -0.986 120.260 121.300 -0.090 0.000 3.047 732 W HA 0.421 5.083 4.660 0.003 0.000 0.250 732 W C -0.188 176.250 176.519 -0.136 0.000 1.314 732 W CA -0.980 56.288 57.345 -0.127 0.000 1.540 732 W CB 0.276 29.538 29.460 -0.330 0.000 1.127 732 W HN -0.074 nan 8.180 nan 0.000 0.679 733 F N 0.285 120.339 119.950 0.173 0.000 2.375 733 F HA 0.232 4.761 4.527 0.003 0.000 0.361 733 F C 0.696 176.608 175.800 0.187 0.000 1.117 733 F CA -0.962 57.177 58.000 0.231 0.000 1.037 733 F CB 0.912 40.120 39.000 0.347 0.000 1.192 733 F HN -0.341 nan 8.300 nan 0.000 0.452 734 L N 2.570 123.954 121.223 0.269 0.000 2.093 734 L HA 0.034 4.375 4.340 0.003 0.000 0.208 734 L C 2.164 179.130 176.870 0.160 0.000 1.085 734 L CA 1.271 56.216 54.840 0.175 0.000 0.755 734 L CB -0.621 41.501 42.059 0.105 0.000 0.904 734 L HN 0.785 nan 8.230 nan 0.000 0.435 735 G N -1.670 107.219 108.800 0.148 0.000 3.709 735 G HA2 -0.049 3.912 3.960 0.003 0.000 0.272 735 G HA3 -0.049 3.912 3.960 0.003 0.000 0.272 735 G C -0.412 174.495 174.900 0.011 0.000 1.259 735 G CA -0.428 44.702 45.100 0.050 0.000 1.512 735 G HN 0.102 nan 8.290 nan 0.000 0.625 736 W N 1.512 122.795 121.300 -0.029 0.000 2.322 736 W HA 0.488 5.149 4.660 0.001 0.000 0.307 736 W C -1.394 175.070 176.519 -0.092 0.000 1.220 736 W CA -0.499 56.788 57.345 -0.097 0.000 1.210 736 W CB 1.442 30.876 29.460 -0.044 0.000 1.223 736 W HN 0.228 nan 8.180 nan 0.000 0.511 737 D N 3.465 123.538 120.400 -0.545 0.000 2.686 737 D HA 0.164 4.806 4.640 0.003 0.000 0.249 737 D C 0.384 176.500 176.300 -0.306 0.000 1.260 737 D CA -0.331 53.526 54.000 -0.239 0.000 0.910 737 D CB 1.471 42.159 40.800 -0.186 0.000 1.323 737 D HN 0.261 nan 8.370 nan 0.000 0.561 738 D N 0.859 121.283 120.400 0.039 0.000 2.149 738 D HA -0.121 4.521 4.640 0.003 0.000 0.198 738 D C 1.325 177.647 176.300 0.036 0.000 0.990 738 D CA 1.041 55.123 54.000 0.136 0.000 0.839 738 D CB 0.197 41.120 40.800 0.205 0.000 0.948 738 D HN 0.241 nan 8.370 nan 0.000 0.460 739 S N -0.603 115.091 115.700 -0.009 0.000 2.607 739 S HA -0.065 4.407 4.470 0.003 0.000 0.224 739 S C 1.267 175.806 174.600 -0.102 0.000 0.969 739 S CA -0.246 57.941 58.200 -0.021 0.000 0.927 739 S CB -0.395 62.793 63.200 -0.020 0.000 0.772 739 S HN 0.359 nan 8.310 nan 0.000 0.533 740 Y N 1.057 121.131 120.300 -0.377 0.000 2.193 740 Y HA -0.194 4.357 4.550 0.002 0.000 0.285 740 Y C 1.477 177.106 175.900 -0.452 0.000 1.166 740 Y CA 1.647 59.404 58.100 -0.571 0.000 1.181 740 Y CB -0.020 37.801 38.460 -1.065 0.000 0.976 740 Y HN 0.384 nan 8.280 nan 0.000 0.520 741 W N -0.168 121.074 121.300 -0.097 0.000 3.278 741 W HA 0.116 4.777 4.660 0.001 0.000 0.308 741 W C 2.390 178.849 176.519 -0.101 0.000 1.253 741 W CA 0.844 58.119 57.345 -0.117 0.000 1.759 741 W CB -0.854 28.619 29.460 0.021 0.000 1.093 741 W HN 0.276 nan 8.180 nan 0.000 0.648 742 S N 0.060 115.797 115.700 0.062 0.000 2.419 742 S HA -0.081 4.390 4.470 0.003 0.000 0.233 742 S C 0.748 175.346 174.600 -0.003 0.000 1.016 742 S CA 0.766 58.987 58.200 0.034 0.000 0.974 742 S CB -0.482 62.722 63.200 0.006 0.000 0.786 742 S HN -0.060 nan 8.310 nan 0.000 0.492 743 V N 1.700 121.578 119.914 -0.061 0.000 2.604 743 V HA 0.465 4.586 4.120 0.003 0.000 0.305 743 V C -1.230 174.804 176.094 -0.099 0.000 1.043 743 V CA -1.037 61.218 62.300 -0.076 0.000 0.888 743 V CB 1.583 33.345 31.823 -0.102 0.000 0.995 743 V HN 0.296 nan 8.190 nan 0.000 0.429 744 D N 8.552 128.924 120.400 -0.047 0.000 2.502 744 D HA 0.145 4.786 4.640 0.003 0.000 0.249 744 D C -1.117 175.134 176.300 -0.081 0.000 1.188 744 D CA -0.697 53.288 54.000 -0.025 0.000 0.890 744 D CB 1.502 42.302 40.800 -0.001 0.000 1.140 744 D HN 0.460 nan 8.370 nan 0.000 0.505 745 P HA -0.229 nan 4.420 nan 0.000 0.216 745 P C 1.612 178.876 177.300 -0.059 0.000 1.153 745 P CA 0.611 63.619 63.100 -0.153 0.000 0.858 745 P CB 0.154 31.810 31.700 -0.073 0.000 0.789 746 L N 0.701 121.918 121.223 -0.009 0.000 2.083 746 L HA -0.122 4.220 4.340 0.003 0.000 0.209 746 L C 1.767 178.616 176.870 -0.036 0.000 1.083 746 L CA 2.076 56.906 54.840 -0.016 0.000 0.752 746 L CB -1.574 40.490 42.059 0.009 0.000 0.899 746 L HN -0.189 nan 8.230 nan 0.000 0.433 747 D N -0.729 119.649 120.400 -0.037 0.000 2.144 747 D HA -0.184 4.458 4.640 0.003 0.000 0.200 747 D C 2.226 178.491 176.300 -0.057 0.000 0.978 747 D CA 0.871 54.845 54.000 -0.044 0.000 0.833 747 D CB -0.134 40.642 40.800 -0.039 0.000 0.961 747 D HN 0.368 nan 8.370 nan 0.000 0.470 748 R N 0.805 121.261 120.500 -0.074 0.000 2.070 748 R HA -0.129 4.213 4.340 0.003 0.000 0.233 748 R C 2.159 178.419 176.300 -0.066 0.000 1.137 748 R CA 1.500 57.550 56.100 -0.082 0.000 0.945 748 R CB -0.215 30.012 30.300 -0.123 0.000 0.845 748 R HN 0.091 nan 8.270 nan 0.000 0.430 749 A N 1.063 123.846 122.820 -0.061 0.000 1.883 749 A HA -0.187 4.135 4.320 0.003 0.000 0.217 749 A C 2.081 179.630 177.584 -0.058 0.000 1.186 749 A CA 1.254 53.257 52.037 -0.056 0.000 0.624 749 A CB -0.636 18.331 19.000 -0.055 0.000 0.822 749 A HN 0.304 nan 8.150 nan 0.000 0.444 750 L N -0.442 120.746 121.223 -0.058 0.000 2.127 750 L HA -0.123 4.218 4.340 0.003 0.000 0.211 750 L C 2.768 179.601 176.870 -0.062 0.000 1.089 750 L CA 1.729 56.532 54.840 -0.063 0.000 0.757 750 L CB -0.699 41.323 42.059 -0.061 0.000 0.899 750 L HN 0.404 nan 8.230 nan 0.000 0.434 751 A N -1.751 121.035 122.820 -0.057 0.000 2.209 751 A HA -0.101 4.221 4.320 0.003 0.000 0.212 751 A C 2.113 179.667 177.584 -0.051 0.000 1.158 751 A CA 1.039 53.044 52.037 -0.052 0.000 0.742 751 A CB -0.302 18.669 19.000 -0.049 0.000 0.790 751 A HN 0.516 nan 8.150 nan 0.000 0.472 752 E N -0.597 119.571 120.200 -0.054 0.000 2.110 752 E HA 0.015 4.366 4.350 0.003 0.000 0.193 752 E C 1.596 178.163 176.600 -0.055 0.000 0.950 752 E CA 0.061 56.430 56.400 -0.051 0.000 0.840 752 E CB -0.152 29.517 29.700 -0.051 0.000 0.809 752 E HN 0.385 nan 8.360 nan 0.000 0.465 753 L N 1.182 122.369 121.223 -0.061 0.000 1.944 753 L HA -0.104 4.237 4.340 0.003 0.000 0.218 753 L C 1.644 178.473 176.870 -0.068 0.000 1.075 753 L CA 1.380 56.180 54.840 -0.067 0.000 0.767 753 L CB -1.441 40.573 42.059 -0.075 0.000 0.890 753 L HN -0.002 nan 8.230 nan 0.000 0.434 754 A N -0.022 122.753 122.820 -0.074 0.000 2.990 754 A HA 0.554 4.876 4.320 0.003 0.000 0.282 754 A C 0.360 177.911 177.584 -0.056 0.000 1.688 754 A CA 0.525 52.519 52.037 -0.072 0.000 1.391 754 A CB -0.793 18.156 19.000 -0.086 0.000 1.112 754 A HN 0.431 nan 8.150 nan 0.000 0.588 755 A N 0.000 122.791 122.820 -0.049 0.000 2.254 755 A HA 0.000 4.322 4.320 0.003 0.000 0.244 755 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 755 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486