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 3ffk_1_D DATA FIRST_RESID 27 DATA SEQUENCE VEHPEFLKAG KEPGLQIWRV EKFDLVPVPT NLYGDFFTGD AYVILKTVQL DATA SEQUENCE RNGNLQYDLH YWLGNECSQD ESGAAAIFTV QLDDYLNGRA VQHREVQGFE DATA SEQUENCE SATFLGYFKS GLKYKKGGVA SGFKHVVPNE VVVQRLFQVK GRRVVRATEV DATA SEQUENCE PVSWESFNNG DCFILDLGNN IHQWCGSNSN RYERLKATQV SKGIRDNERS DATA SEQUENCE GRARVHVSEE GTEPEAMLQV LGPKPALPAG TEDTAKEDAA NRKLAKLYKV DATA SEQUENCE SNGAGTMSVS LVADENPFAQ GALKSEDCFI LDHGKDGKIF VWKGKQANTE DATA SEQUENCE ERKAALKTAS DFITKMDYPK QTQVSVLPEG GETPLFKQFF KNWRDP 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 0.000 175.977 176.094 -0.196 0.000 1.182 27 V CA 0.000 62.277 62.300 -0.039 0.000 1.235 27 V CB 0.000 31.919 31.823 0.159 0.000 1.184 28 E N 2.272 122.454 120.200 -0.030 0.000 2.558 28 E HA 0.043 4.407 4.350 0.022 0.000 0.235 28 E C -0.139 176.356 176.600 -0.174 0.000 1.217 28 E CA 0.522 56.888 56.400 -0.056 0.000 0.955 28 E CB -0.732 29.015 29.700 0.077 0.000 1.027 28 E HN 0.756 nan 8.360 nan 0.000 0.491 29 H N 3.712 122.489 119.070 -0.488 0.000 2.529 29 H HA 0.271 4.839 4.556 0.019 0.000 0.348 29 H C -1.765 173.438 175.328 -0.209 0.000 1.152 29 H CA -2.070 53.704 56.048 -0.457 0.000 1.202 29 H CB 1.467 30.672 29.762 -0.927 0.000 1.562 29 H HN 0.181 nan 8.280 nan 0.000 0.515 30 P HA -0.290 nan 4.420 nan 0.000 0.221 30 P C 0.964 178.261 177.300 -0.005 0.000 1.160 30 P CA 1.568 64.482 63.100 -0.310 0.000 0.933 30 P CB 0.368 31.787 31.700 -0.469 0.000 0.793 31 E N -2.187 118.153 120.200 0.233 0.000 2.170 31 E HA -0.031 4.332 4.350 0.022 0.000 0.191 31 E C 1.998 178.784 176.600 0.311 0.000 0.981 31 E CA 0.477 57.099 56.400 0.370 0.000 0.830 31 E CB -0.679 29.257 29.700 0.393 0.000 0.775 31 E HN 0.230 nan 8.360 nan 0.000 0.470 32 F N 1.133 121.028 119.950 -0.091 0.000 2.154 32 F HA -0.159 4.382 4.527 0.024 0.000 0.301 32 F C 2.321 177.938 175.800 -0.304 0.000 1.087 32 F CA 0.713 58.458 58.000 -0.424 0.000 1.274 32 F CB -0.832 37.686 39.000 -0.803 0.000 1.009 32 F HN 0.015 nan 8.300 nan 0.000 0.485 33 L N -0.376 120.886 121.223 0.065 0.000 2.079 33 L HA -0.244 4.110 4.340 0.022 0.000 0.210 33 L C 2.487 179.475 176.870 0.197 0.000 1.081 33 L CA 1.312 56.246 54.840 0.157 0.000 0.752 33 L CB -0.477 41.653 42.059 0.120 0.000 0.896 33 L HN 0.063 nan 8.230 nan 0.000 0.433 34 K N -0.164 120.357 120.400 0.201 0.000 2.148 34 K HA 0.015 4.348 4.320 0.022 0.000 0.204 34 K C 0.730 177.471 176.600 0.236 0.000 1.050 34 K CA 0.882 57.296 56.287 0.212 0.000 0.942 34 K CB 0.008 32.657 32.500 0.247 0.000 0.724 34 K HN 0.228 nan 8.250 nan 0.000 0.446 35 A N 0.631 123.619 122.820 0.279 0.000 2.355 35 A HA 0.611 4.945 4.320 0.022 0.000 0.324 35 A C -0.265 177.437 177.584 0.197 0.000 1.117 35 A CA -0.480 51.725 52.037 0.280 0.000 0.785 35 A CB 1.700 20.988 19.000 0.480 0.000 1.254 35 A HN 0.166 nan 8.150 nan 0.000 0.453 36 G N 0.740 109.616 108.800 0.128 0.000 2.603 36 G HA2 0.452 4.426 3.960 0.022 0.000 0.324 36 G HA3 0.452 4.426 3.960 0.022 0.000 0.324 36 G C 0.208 175.277 174.900 0.282 0.000 1.178 36 G CA -0.423 44.820 45.100 0.238 0.000 1.023 36 G HN 0.760 nan 8.290 nan 0.000 0.482 37 K N 0.622 121.145 120.400 0.204 0.000 2.186 37 K HA 0.057 4.390 4.320 0.022 0.000 0.202 37 K C 1.003 177.685 176.600 0.138 0.000 1.052 37 K CA 0.964 57.351 56.287 0.167 0.000 0.965 37 K CB 0.313 32.890 32.500 0.129 0.000 0.746 37 K HN 0.793 nan 8.250 nan 0.000 0.457 38 E N 0.255 120.526 120.200 0.118 0.000 2.446 38 E HA 0.338 4.701 4.350 0.022 0.000 0.276 38 E C -2.977 173.656 176.600 0.055 0.000 0.969 38 E CA -2.696 53.747 56.400 0.071 0.000 0.800 38 E CB 1.420 31.146 29.700 0.044 0.000 1.341 38 E HN -0.296 nan 8.360 nan 0.000 0.460 39 P HA 0.260 nan 4.420 nan 0.000 0.263 39 P C -0.338 176.949 177.300 -0.023 0.000 1.195 39 P CA 0.656 63.749 63.100 -0.012 0.000 0.762 39 P CB 0.694 32.377 31.700 -0.027 0.000 0.799 40 G N 1.697 110.471 108.800 -0.044 0.000 2.323 40 G HA2 0.357 4.331 3.960 0.022 0.000 0.291 40 G HA3 0.357 4.331 3.960 0.022 0.000 0.291 40 G C -2.394 172.434 174.900 -0.119 0.000 1.278 40 G CA -0.649 44.408 45.100 -0.070 0.000 0.860 40 G HN 0.525 nan 8.290 nan 0.000 0.504 41 L N 0.278 121.433 121.223 -0.112 0.000 2.322 41 L HA 0.767 5.120 4.340 0.022 0.000 0.281 41 L C -0.254 176.584 176.870 -0.052 0.000 1.014 41 L CA -0.322 54.414 54.840 -0.173 0.000 0.815 41 L CB 1.800 43.697 42.059 -0.269 0.000 1.247 41 L HN 0.618 nan 8.230 nan 0.000 0.421 42 Q N 5.469 125.141 119.800 -0.213 0.000 2.304 42 Q HA 0.648 5.002 4.340 0.022 0.000 0.270 42 Q C -1.461 174.104 176.000 -0.724 0.000 1.035 42 Q CA -0.394 55.155 55.803 -0.423 0.000 0.781 42 Q CB 2.802 31.257 28.738 -0.471 0.000 1.261 42 Q HN 0.544 nan 8.270 nan 0.000 0.444 43 I N 1.502 121.541 120.570 -0.884 0.000 2.498 43 I HA 0.513 4.697 4.170 0.022 0.000 0.290 43 I C -0.821 175.005 176.117 -0.484 0.000 1.032 43 I CA -0.721 60.244 61.300 -0.557 0.000 1.073 43 I CB 1.578 39.215 38.000 -0.605 0.000 1.251 43 I HN 0.388 nan 8.210 nan 0.000 0.426 44 W N 4.445 125.825 121.300 0.132 0.000 2.761 44 W HA 0.568 5.240 4.660 0.019 0.000 0.340 44 W C -0.255 176.317 176.519 0.088 0.000 1.072 44 W CA -0.813 56.584 57.345 0.087 0.000 1.215 44 W CB 2.162 31.620 29.460 -0.003 0.000 1.420 44 W HN 0.336 nan 8.180 nan 0.000 0.519 45 R N 1.282 121.881 120.500 0.164 0.000 2.445 45 R HA 0.481 4.835 4.340 0.022 0.000 0.308 45 R C -0.827 175.433 176.300 -0.066 0.000 0.961 45 R CA -0.504 55.488 56.100 -0.180 0.000 0.862 45 R CB 1.663 31.759 30.300 -0.340 0.000 1.144 45 R HN 0.289 nan 8.270 nan 0.000 0.447 46 V N 4.419 124.292 119.914 -0.069 0.000 2.529 46 V HA 0.070 4.203 4.120 0.022 0.000 0.292 46 V C -0.077 175.985 176.094 -0.054 0.000 1.028 46 V CA 0.606 62.905 62.300 -0.002 0.000 1.074 46 V CB 0.826 32.699 31.823 0.083 0.000 0.958 46 V HN 0.814 nan 8.190 nan 0.000 0.481 47 E N 4.882 125.062 120.200 -0.034 0.000 2.283 47 E HA 0.339 4.703 4.350 0.022 0.000 0.258 47 E C -0.632 175.929 176.600 -0.064 0.000 0.893 47 E CA -0.885 55.477 56.400 -0.062 0.000 0.798 47 E CB 1.379 31.060 29.700 -0.032 0.000 1.242 47 E HN 0.498 nan 8.360 nan 0.000 0.414 48 K N 2.653 122.946 120.400 -0.180 0.000 3.311 48 K HA -0.240 4.093 4.320 0.022 0.000 0.270 48 K C -0.439 176.118 176.600 -0.072 0.000 0.927 48 K CA 0.953 57.099 56.287 -0.235 0.000 0.706 48 K CB -1.572 30.896 32.500 -0.053 0.000 1.418 48 K HN 0.882 nan 8.250 nan 0.000 0.459 49 F N -3.104 116.879 119.950 0.056 0.000 2.840 49 F HA -0.287 4.244 4.527 0.006 0.000 0.310 49 F C 0.610 176.562 175.800 0.255 0.000 0.688 49 F CA 1.123 59.190 58.000 0.113 0.000 1.286 49 F CB -0.981 38.047 39.000 0.047 0.000 1.612 49 F HN 0.403 nan 8.300 nan 0.000 0.335 50 D N 0.254 120.835 120.400 0.300 0.000 2.414 50 D HA 0.561 5.214 4.640 0.022 0.000 0.241 50 D C -0.863 175.378 176.300 -0.098 0.000 1.008 50 D CA -0.430 53.690 54.000 0.199 0.000 1.001 50 D CB 1.409 42.298 40.800 0.148 0.000 1.277 50 D HN 0.068 nan 8.370 nan 0.000 0.538 51 L N 2.567 123.551 121.223 -0.398 0.000 2.283 51 L HA 0.416 4.770 4.340 0.022 0.000 0.281 51 L C -1.170 175.680 176.870 -0.033 0.000 1.033 51 L CA -0.692 53.839 54.840 -0.514 0.000 0.848 51 L CB 0.994 42.405 42.059 -1.079 0.000 1.226 51 L HN 0.236 nan 8.230 nan 0.000 0.429 52 V N 6.371 126.344 119.914 0.098 0.000 2.357 52 V HA 0.353 4.486 4.120 0.022 0.000 0.284 52 V C -1.996 174.259 176.094 0.270 0.000 1.018 52 V CA -1.730 60.679 62.300 0.181 0.000 0.841 52 V CB 1.534 33.414 31.823 0.095 0.000 0.991 52 V HN 0.599 nan 8.190 nan 0.000 0.437 53 P HA 0.074 nan 4.420 nan 0.000 0.268 53 P C -0.261 177.089 177.300 0.084 0.000 1.204 53 P CA 0.134 63.308 63.100 0.123 0.000 0.768 53 P CB 0.963 32.704 31.700 0.067 0.000 0.842 54 V N 6.396 126.350 119.914 0.066 0.000 2.470 54 V HA 0.089 4.223 4.120 0.022 0.000 0.276 54 V C -1.741 174.454 176.094 0.169 0.000 1.040 54 V CA -1.322 61.069 62.300 0.151 0.000 1.008 54 V CB -0.061 31.867 31.823 0.175 0.000 0.990 54 V HN 0.555 nan 8.190 nan 0.000 0.477 55 P HA -0.078 nan 4.420 nan 0.000 0.261 55 P C 1.139 178.393 177.300 -0.076 0.000 1.165 55 P CA 0.638 63.744 63.100 0.010 0.000 0.759 55 P CB 0.433 32.141 31.700 0.012 0.000 0.772 56 T N 2.206 116.609 114.554 -0.252 0.000 2.833 56 T HA -0.148 4.215 4.350 0.022 0.000 0.269 56 T C 1.347 175.652 174.700 -0.658 0.000 1.054 56 T CA 1.916 63.613 62.100 -0.672 0.000 1.135 56 T CB -0.616 67.954 68.868 -0.496 0.000 0.869 56 T HN 0.537 nan 8.240 nan 0.000 0.466 57 N N 0.356 118.873 118.700 -0.306 0.000 2.467 57 N HA 0.061 4.814 4.740 0.022 0.000 0.184 57 N C 1.265 176.704 175.510 -0.118 0.000 1.106 57 N CA 0.323 53.253 53.050 -0.200 0.000 0.892 57 N CB -0.574 37.834 38.487 -0.131 0.000 0.969 57 N HN 0.296 nan 8.380 nan 0.000 0.454 58 L N -0.245 120.934 121.223 -0.072 0.000 2.592 58 L HA 0.256 4.610 4.340 0.022 0.000 0.227 58 L C -0.464 176.413 176.870 0.012 0.000 1.127 58 L CA -0.247 54.576 54.840 -0.029 0.000 0.884 58 L CB -0.951 41.103 42.059 -0.008 0.000 1.065 58 L HN 0.041 nan 8.230 nan 0.000 0.457 59 Y N 0.427 120.624 120.300 -0.170 0.000 2.770 59 Y HA 0.351 4.914 4.550 0.021 0.000 0.342 59 Y C 1.593 177.407 175.900 -0.142 0.000 1.221 59 Y CA 0.421 58.419 58.100 -0.169 0.000 1.560 59 Y CB -0.232 38.162 38.460 -0.110 0.000 1.213 59 Y HN 0.253 nan 8.280 nan 0.000 0.525 60 G N 2.603 111.228 108.800 -0.291 0.000 2.545 60 G HA2 -0.198 3.775 3.960 0.022 0.000 0.195 60 G HA3 -0.198 3.775 3.960 0.022 0.000 0.195 60 G C -0.381 174.100 174.900 -0.697 0.000 1.009 60 G CA -0.463 44.349 45.100 -0.481 0.000 0.703 60 G HN 0.489 nan 8.290 nan 0.000 0.479 61 D N 0.871 120.893 120.400 -0.629 0.000 2.317 61 D HA 0.612 5.266 4.640 0.022 0.000 0.252 61 D C -0.541 175.255 176.300 -0.840 0.000 1.174 61 D CA 0.408 54.075 54.000 -0.555 0.000 0.866 61 D CB 0.599 41.168 40.800 -0.384 0.000 1.127 61 D HN 0.170 nan 8.370 nan 0.000 0.467 62 F N 1.713 121.355 119.950 -0.514 0.000 2.493 62 F HA 0.379 4.918 4.527 0.021 0.000 0.329 62 F C -0.046 175.644 175.800 -0.183 0.000 1.126 62 F CA -1.095 56.506 58.000 -0.666 0.000 0.937 62 F CB 1.093 39.320 39.000 -1.288 0.000 1.146 62 F HN 0.178 nan 8.300 nan 0.000 0.442 63 F N 1.749 121.965 119.950 0.442 0.000 2.472 63 F HA 0.103 4.646 4.527 0.027 0.000 0.364 63 F C 1.798 177.899 175.800 0.502 0.000 1.090 63 F CA -0.183 58.061 58.000 0.407 0.000 1.188 63 F CB 1.217 40.421 39.000 0.340 0.000 1.105 63 F HN 0.606 nan 8.300 nan 0.000 0.536 64 T N -0.826 114.045 114.554 0.529 0.000 3.007 64 T HA -0.066 4.298 4.350 0.022 0.000 0.270 64 T C 1.806 176.671 174.700 0.276 0.000 1.107 64 T CA 0.892 63.218 62.100 0.378 0.000 1.118 64 T CB -0.304 68.666 68.868 0.171 0.000 0.889 64 T HN 0.701 nan 8.240 nan 0.000 0.506 65 G N 0.271 109.255 108.800 0.306 0.000 3.141 65 G HA2 0.290 4.264 3.960 0.022 0.000 0.218 65 G HA3 0.290 4.264 3.960 0.022 0.000 0.218 65 G C -0.367 174.642 174.900 0.181 0.000 1.170 65 G CA -0.329 44.880 45.100 0.181 0.000 0.769 65 G HN 0.422 nan 8.290 nan 0.000 0.546 66 D N -0.825 119.778 120.400 0.337 0.000 2.531 66 D HA 0.684 5.337 4.640 0.022 0.000 0.244 66 D C -0.416 176.146 176.300 0.436 0.000 1.090 66 D CA -0.272 53.914 54.000 0.311 0.000 0.989 66 D CB 2.020 43.011 40.800 0.318 0.000 1.433 66 D HN 0.084 nan 8.370 nan 0.000 0.492 67 A N 0.449 123.437 122.820 0.280 0.000 2.337 67 A HA 0.763 5.096 4.320 0.022 0.000 0.331 67 A C -1.536 176.260 177.584 0.353 0.000 1.137 67 A CA -0.393 51.879 52.037 0.393 0.000 0.807 67 A CB 0.843 19.977 19.000 0.224 0.000 1.250 67 A HN 0.470 nan 8.150 nan 0.000 0.468 68 Y N -0.734 119.879 120.300 0.523 0.000 2.609 68 Y HA 0.592 5.158 4.550 0.027 0.000 0.342 68 Y C -0.344 175.861 175.900 0.509 0.000 1.058 68 Y CA -0.815 57.602 58.100 0.528 0.000 1.055 68 Y CB 2.484 41.347 38.460 0.671 0.000 1.292 68 Y HN 0.429 nan 8.280 nan 0.000 0.476 69 V N 3.405 123.717 119.914 0.664 0.000 2.525 69 V HA 0.465 4.598 4.120 0.022 0.000 0.299 69 V C -1.128 175.387 176.094 0.700 0.000 1.034 69 V CA -0.654 62.013 62.300 0.611 0.000 0.863 69 V CB 1.549 33.621 31.823 0.415 0.000 0.999 69 V HN 0.450 nan 8.190 nan 0.000 0.423 70 I N 5.936 126.897 120.570 0.652 0.000 2.382 70 I HA 0.484 4.667 4.170 0.022 0.000 0.286 70 I C -0.640 175.786 176.117 0.516 0.000 1.002 70 I CA -0.377 61.252 61.300 0.549 0.000 1.135 70 I CB 1.675 40.063 38.000 0.647 0.000 1.288 70 I HN 0.441 nan 8.210 nan 0.000 0.448 71 L N 7.268 128.741 121.223 0.417 0.000 2.294 71 L HA 0.577 4.930 4.340 0.022 0.000 0.283 71 L C -0.371 176.586 176.870 0.146 0.000 1.015 71 L CA -0.588 54.464 54.840 0.353 0.000 0.831 71 L CB 0.779 43.097 42.059 0.430 0.000 1.217 71 L HN 0.491 nan 8.230 nan 0.000 0.420 72 K N 2.955 123.405 120.400 0.084 0.000 2.211 72 K HA 0.586 4.919 4.320 0.022 0.000 0.275 72 K C -0.973 175.646 176.600 0.032 0.000 1.024 72 K CA -0.062 56.124 56.287 -0.168 0.000 0.887 72 K CB 1.108 33.204 32.500 -0.673 0.000 1.084 72 K HN 0.641 nan 8.250 nan 0.000 0.463 73 T N 4.026 118.584 114.554 0.007 0.000 2.842 73 T HA 0.314 4.677 4.350 0.022 0.000 0.308 73 T C -0.923 173.744 174.700 -0.055 0.000 1.041 73 T CA -0.664 61.466 62.100 0.050 0.000 0.964 73 T CB 0.832 69.797 68.868 0.161 0.000 0.972 73 T HN 0.300 nan 8.240 nan 0.000 0.460 74 V N 3.876 123.736 119.914 -0.090 0.000 2.481 74 V HA 0.390 4.524 4.120 0.022 0.000 0.286 74 V C 0.249 176.281 176.094 -0.103 0.000 1.042 74 V CA -0.775 61.480 62.300 -0.075 0.000 0.928 74 V CB 1.714 33.516 31.823 -0.035 0.000 0.986 74 V HN 0.801 nan 8.190 nan 0.000 0.462 75 Q N 3.638 123.396 119.800 -0.070 0.000 2.274 75 Q HA 0.510 4.864 4.340 0.022 0.000 0.256 75 Q C -1.107 174.863 176.000 -0.050 0.000 0.927 75 Q CA -0.398 55.365 55.803 -0.066 0.000 0.939 75 Q CB 1.259 29.971 28.738 -0.044 0.000 1.201 75 Q HN 0.567 nan 8.270 nan 0.000 0.426 76 L N 3.311 124.501 121.223 -0.055 0.000 2.448 76 L HA 0.588 4.941 4.340 0.022 0.000 0.258 76 L C -0.269 176.585 176.870 -0.026 0.000 1.104 76 L CA -0.196 54.623 54.840 -0.036 0.000 0.800 76 L CB 1.036 43.072 42.059 -0.038 0.000 1.241 76 L HN 0.752 nan 8.230 nan 0.000 0.472 77 R N 0.935 121.425 120.500 -0.017 0.000 2.512 77 R HA 0.270 4.623 4.340 0.022 0.000 0.291 77 R C 0.253 176.548 176.300 -0.008 0.000 1.097 77 R CA -0.516 55.577 56.100 -0.012 0.000 0.940 77 R CB 0.309 30.603 30.300 -0.010 0.000 1.198 77 R HN 0.659 nan 8.270 nan 0.000 0.429 78 N N 2.757 121.453 118.700 -0.006 0.000 2.090 78 N HA -0.347 4.406 4.740 0.022 0.000 0.156 78 N C 1.150 176.655 175.510 -0.008 0.000 0.679 78 N CA 3.202 56.248 53.050 -0.006 0.000 0.868 78 N CB -0.695 37.789 38.487 -0.005 0.000 0.926 78 N HN 1.070 nan 8.380 nan 0.000 1.155 79 G N -2.150 106.642 108.800 -0.014 0.000 2.551 79 G HA2 -0.189 3.785 3.960 0.022 0.000 0.186 79 G HA3 -0.189 3.785 3.960 0.022 0.000 0.186 79 G C -0.229 174.658 174.900 -0.022 0.000 1.002 79 G CA 0.064 45.154 45.100 -0.016 0.000 0.723 79 G HN 0.784 nan 8.290 nan 0.000 0.481 80 N N 0.113 118.798 118.700 -0.026 0.000 2.263 80 N HA 0.564 5.317 4.740 0.022 0.000 0.239 80 N C -0.189 175.269 175.510 -0.085 0.000 1.317 80 N CA -0.003 53.026 53.050 -0.036 0.000 0.909 80 N CB 0.642 39.115 38.487 -0.024 0.000 1.171 80 N HN 0.247 nan 8.380 nan 0.000 0.492 81 L N -0.325 120.807 121.223 -0.152 0.000 2.330 81 L HA 0.384 4.738 4.340 0.022 0.000 0.271 81 L C -0.072 176.510 176.870 -0.481 0.000 1.013 81 L CA -0.713 53.931 54.840 -0.327 0.000 0.816 81 L CB 1.361 43.168 42.059 -0.419 0.000 1.287 81 L HN 0.528 nan 8.230 nan 0.000 0.435 82 Q N 1.427 120.950 119.800 -0.462 0.000 2.331 82 Q HA 0.432 4.786 4.340 0.022 0.000 0.267 82 Q C -1.954 173.848 176.000 -0.331 0.000 1.006 82 Q CA -0.587 55.028 55.803 -0.314 0.000 0.818 82 Q CB 1.358 30.035 28.738 -0.102 0.000 1.276 82 Q HN 0.606 nan 8.270 nan 0.000 0.450 83 Y N 1.987 122.340 120.300 0.089 0.000 2.335 83 Y HA 0.341 4.905 4.550 0.024 0.000 0.338 83 Y C -0.306 175.692 175.900 0.164 0.000 0.977 83 Y CA -0.828 57.340 58.100 0.112 0.000 1.114 83 Y CB 1.783 40.302 38.460 0.098 0.000 1.182 83 Y HN 0.535 nan 8.280 nan 0.000 0.463 84 D N 4.935 125.564 120.400 0.382 0.000 2.461 84 D HA 0.283 4.936 4.640 0.022 0.000 0.240 84 D C -0.881 175.720 176.300 0.502 0.000 1.094 84 D CA -0.234 54.032 54.000 0.445 0.000 0.868 84 D CB 1.540 42.672 40.800 0.555 0.000 1.062 84 D HN 0.461 nan 8.370 nan 0.000 0.530 85 L N 3.264 124.709 121.223 0.370 0.000 2.305 85 L HA 0.245 4.599 4.340 0.022 0.000 0.281 85 L C 0.223 177.301 176.870 0.345 0.000 1.085 85 L CA -0.172 54.889 54.840 0.369 0.000 0.813 85 L CB 0.758 42.957 42.059 0.235 0.000 1.157 85 L HN 0.266 nan 8.230 nan 0.000 0.436 86 H N 3.583 122.952 119.070 0.499 0.000 2.689 86 H HA 0.260 4.829 4.556 0.022 0.000 0.346 86 H C -1.332 174.269 175.328 0.455 0.000 1.037 86 H CA -0.595 55.724 56.048 0.451 0.000 1.234 86 H CB 1.714 31.791 29.762 0.525 0.000 1.572 86 H HN 0.506 nan 8.280 nan 0.000 0.524 87 Y N 0.447 120.924 120.300 0.296 0.000 2.331 87 Y HA 0.352 4.916 4.550 0.023 0.000 0.338 87 Y C -0.858 175.164 175.900 0.203 0.000 0.992 87 Y CA -1.331 56.934 58.100 0.276 0.000 1.121 87 Y CB 1.086 39.666 38.460 0.198 0.000 1.184 87 Y HN 0.527 nan 8.280 nan 0.000 0.469 88 W N 7.082 128.457 121.300 0.126 0.000 2.475 88 W HA 0.701 5.373 4.660 0.020 0.000 0.317 88 W C -2.060 174.478 176.519 0.031 0.000 1.046 88 W CA -1.294 55.983 57.345 -0.113 0.000 1.215 88 W CB 1.308 30.602 29.460 -0.276 0.000 1.335 88 W HN 0.598 nan 8.180 nan 0.000 0.471 89 L N 7.623 128.415 121.223 -0.719 0.000 2.318 89 L HA 0.535 4.888 4.340 0.022 0.000 0.277 89 L C 0.880 177.179 176.870 -0.953 0.000 1.008 89 L CA -1.005 53.513 54.840 -0.537 0.000 0.846 89 L CB 0.987 42.882 42.059 -0.273 0.000 1.220 89 L HN 0.630 nan 8.230 nan 0.000 0.423 90 G N 1.083 109.428 108.800 -0.758 0.000 2.442 90 G HA2 0.030 4.004 3.960 0.022 0.000 0.249 90 G HA3 0.030 4.004 3.960 0.022 0.000 0.249 90 G C 0.657 175.396 174.900 -0.268 0.000 1.263 90 G CA -0.439 44.325 45.100 -0.560 0.000 0.846 90 G HN 0.663 nan 8.290 nan 0.000 0.555 91 N N 0.656 119.219 118.700 -0.228 0.000 2.519 91 N HA -0.079 4.675 4.740 0.022 0.000 0.186 91 N C 1.334 176.809 175.510 -0.059 0.000 1.062 91 N CA 0.843 53.811 53.050 -0.137 0.000 0.910 91 N CB 0.332 38.753 38.487 -0.110 0.000 0.958 91 N HN 0.668 nan 8.380 nan 0.000 0.445 92 E N -0.610 119.580 120.200 -0.017 0.000 2.548 92 E HA 0.086 4.449 4.350 0.022 0.000 0.206 92 E C -0.195 176.420 176.600 0.025 0.000 1.005 92 E CA -0.289 56.121 56.400 0.016 0.000 0.951 92 E CB 0.284 30.012 29.700 0.047 0.000 1.035 92 E HN 0.341 nan 8.360 nan 0.000 0.470 93 C N 1.012 120.322 119.300 0.016 0.000 2.527 93 C HA 0.639 5.112 4.460 0.022 0.000 0.396 93 C C 1.098 176.089 174.990 0.001 0.000 1.289 93 C CA -1.195 57.837 59.018 0.024 0.000 2.047 93 C CB 0.155 27.925 27.740 0.051 0.000 2.568 93 C HN 0.329 nan 8.230 nan 0.000 0.573 94 S N 2.682 118.374 115.700 -0.013 0.000 2.589 94 S HA 0.073 4.556 4.470 0.022 0.000 0.265 94 S C 0.914 175.495 174.600 -0.031 0.000 1.342 94 S CA 0.058 58.251 58.200 -0.011 0.000 1.005 94 S CB 0.578 63.760 63.200 -0.031 0.000 0.909 94 S HN 0.978 nan 8.310 nan 0.000 0.555 95 Q N 0.867 120.688 119.800 0.035 0.000 2.124 95 Q HA -0.209 4.144 4.340 0.022 0.000 0.202 95 Q C 1.681 177.631 176.000 -0.084 0.000 0.977 95 Q CA 1.916 57.757 55.803 0.064 0.000 0.850 95 Q CB -0.349 28.540 28.738 0.252 0.000 0.901 95 Q HN 0.938 nan 8.270 nan 0.000 0.429 96 D N -0.148 119.975 120.400 -0.461 0.000 2.182 96 D HA -0.238 4.415 4.640 0.022 0.000 0.201 96 D C 1.207 177.320 176.300 -0.312 0.000 0.986 96 D CA 1.402 54.984 54.000 -0.695 0.000 0.847 96 D CB -0.272 39.658 40.800 -1.449 0.000 0.942 96 D HN 0.464 nan 8.370 nan 0.000 0.467 97 E N 0.553 120.604 120.200 -0.248 0.000 2.051 97 E HA -0.098 4.266 4.350 0.022 0.000 0.189 97 E C 2.498 179.095 176.600 -0.004 0.000 0.979 97 E CA 1.257 57.587 56.400 -0.117 0.000 0.803 97 E CB 0.043 29.689 29.700 -0.089 0.000 0.761 97 E HN 0.406 nan 8.360 nan 0.000 0.451 98 S N 0.812 116.513 115.700 0.002 0.000 2.356 98 S HA -0.132 4.351 4.470 0.022 0.000 0.223 98 S C 2.273 176.891 174.600 0.029 0.000 1.032 98 S CA 1.085 59.315 58.200 0.049 0.000 1.005 98 S CB -1.035 62.185 63.200 0.034 0.000 0.867 98 S HN 0.340 nan 8.310 nan 0.000 0.449 99 G N 1.785 110.584 108.800 -0.001 0.000 2.440 99 G HA2 0.003 3.976 3.960 0.022 0.000 0.218 99 G HA3 0.003 3.976 3.960 0.022 0.000 0.218 99 G C 1.652 176.508 174.900 -0.073 0.000 1.154 99 G CA 1.060 46.146 45.100 -0.023 0.000 0.767 99 G HN 0.760 nan 8.290 nan 0.000 0.552 100 A N 1.283 124.070 122.820 -0.055 0.000 1.858 100 A HA 0.276 4.609 4.320 0.022 0.000 0.216 100 A C 2.863 180.424 177.584 -0.039 0.000 1.190 100 A CA 2.364 54.330 52.037 -0.119 0.000 0.617 100 A CB -0.994 18.027 19.000 0.037 0.000 0.827 100 A HN 0.898 nan 8.150 nan 0.000 0.443 101 A N -0.168 122.728 122.820 0.127 0.000 1.986 101 A HA 0.074 4.407 4.320 0.022 0.000 0.220 101 A C 2.464 180.017 177.584 -0.051 0.000 1.171 101 A CA 2.333 54.490 52.037 0.201 0.000 0.640 101 A CB -0.982 18.175 19.000 0.260 0.000 0.811 101 A HN 1.068 nan 8.150 nan 0.000 0.451 102 A N 0.041 122.714 122.820 -0.246 0.000 1.858 102 A HA -0.073 4.260 4.320 0.022 0.000 0.216 102 A C 2.127 179.497 177.584 -0.357 0.000 1.190 102 A CA 1.545 53.240 52.037 -0.570 0.000 0.617 102 A CB -0.632 18.144 19.000 -0.374 0.000 0.827 102 A HN 0.494 nan 8.150 nan 0.000 0.443 103 I N -1.679 118.735 120.570 -0.260 0.000 2.226 103 I HA -0.246 3.937 4.170 0.022 0.000 0.245 103 I C 2.320 178.330 176.117 -0.178 0.000 1.100 103 I CA 1.356 62.508 61.300 -0.247 0.000 1.374 103 I CB -0.483 37.325 38.000 -0.319 0.000 1.057 103 I HN 0.334 nan 8.210 nan 0.000 0.413 104 F N 0.970 120.872 119.950 -0.080 0.000 2.161 104 F HA -0.263 4.274 4.527 0.016 0.000 0.300 104 F C 2.701 178.432 175.800 -0.114 0.000 1.089 104 F CA 1.519 59.484 58.000 -0.058 0.000 1.282 104 F CB -0.680 38.274 39.000 -0.075 0.000 1.010 104 F HN 0.046 nan 8.300 nan 0.000 0.485 105 T N -0.432 114.142 114.554 0.034 0.000 2.708 105 T HA -0.217 4.146 4.350 0.022 0.000 0.266 105 T C 2.184 176.864 174.700 -0.033 0.000 1.037 105 T CA 1.506 63.591 62.100 -0.026 0.000 1.146 105 T CB -0.683 68.125 68.868 -0.100 0.000 0.865 105 T HN 0.276 nan 8.240 nan 0.000 0.435 106 V N 1.041 120.921 119.914 -0.056 0.000 2.358 106 V HA -0.175 3.959 4.120 0.022 0.000 0.246 106 V C 2.230 178.342 176.094 0.029 0.000 1.047 106 V CA 1.785 64.070 62.300 -0.024 0.000 1.035 106 V CB -0.666 31.129 31.823 -0.047 0.000 0.658 106 V HN 0.483 nan 8.190 nan 0.000 0.452 107 Q N -0.813 119.029 119.800 0.069 0.000 2.234 107 Q HA -0.173 4.181 4.340 0.022 0.000 0.206 107 Q C 2.074 178.261 176.000 0.311 0.000 0.980 107 Q CA 1.896 57.816 55.803 0.195 0.000 0.869 107 Q CB -0.158 28.737 28.738 0.262 0.000 0.912 107 Q HN 0.627 nan 8.270 nan 0.000 0.436 108 L N 0.481 121.735 121.223 0.052 0.000 2.202 108 L HA -0.055 4.298 4.340 0.022 0.000 0.205 108 L C 1.725 178.551 176.870 -0.073 0.000 1.083 108 L CA 1.685 56.359 54.840 -0.277 0.000 0.790 108 L CB -0.519 41.144 42.059 -0.660 0.000 0.942 108 L HN 0.060 nan 8.230 nan 0.000 0.452 109 D N -0.152 120.231 120.400 -0.029 0.000 2.104 109 D HA -0.222 4.432 4.640 0.022 0.000 0.194 109 D C 1.538 177.858 176.300 0.033 0.000 0.994 109 D CA 1.405 55.406 54.000 0.002 0.000 0.830 109 D CB 0.108 40.918 40.800 0.016 0.000 0.959 109 D HN 0.342 nan 8.370 nan 0.000 0.452 110 D N -0.692 119.749 120.400 0.068 0.000 2.106 110 D HA -0.221 4.432 4.640 0.022 0.000 0.191 110 D C 1.902 178.270 176.300 0.112 0.000 0.997 110 D CA 0.927 54.978 54.000 0.086 0.000 0.834 110 D CB -0.919 39.942 40.800 0.101 0.000 0.956 110 D HN 0.349 nan 8.370 nan 0.000 0.448 111 Y N 0.507 120.842 120.300 0.058 0.000 2.283 111 Y HA -0.165 4.400 4.550 0.026 0.000 0.285 111 Y C 1.087 176.978 175.900 -0.014 0.000 1.176 111 Y CA 0.937 59.078 58.100 0.068 0.000 1.229 111 Y CB -0.018 38.552 38.460 0.183 0.000 0.975 111 Y HN -0.091 nan 8.280 nan 0.000 0.537 112 L N 1.724 122.903 121.223 -0.073 0.000 3.001 112 L HA 0.145 4.498 4.340 0.022 0.000 0.234 112 L C 0.231 177.064 176.870 -0.062 0.000 1.321 112 L CA 0.226 54.960 54.840 -0.176 0.000 1.138 112 L CB -1.738 40.148 42.059 -0.288 0.000 1.503 112 L HN 0.271 nan 8.230 nan 0.000 0.487 113 N N 0.288 118.950 118.700 -0.063 0.000 2.678 113 N HA -0.295 4.458 4.740 0.022 0.000 0.249 113 N C 1.251 176.770 175.510 0.015 0.000 1.119 113 N CA 0.434 53.474 53.050 -0.017 0.000 0.718 113 N CB -0.748 37.733 38.487 -0.009 0.000 1.060 113 N HN 0.656 nan 8.380 nan 0.000 0.552 114 G N -0.283 108.530 108.800 0.021 0.000 2.189 114 G HA2 -0.396 3.577 3.960 0.022 0.000 0.267 114 G HA3 -0.396 3.577 3.960 0.022 0.000 0.267 114 G C 0.637 175.567 174.900 0.050 0.000 0.975 114 G CA 0.591 45.710 45.100 0.032 0.000 0.644 114 G HN 0.500 nan 8.290 nan 0.000 0.537 115 R N 0.398 120.944 120.500 0.077 0.000 2.423 115 R HA 0.489 4.842 4.340 0.022 0.000 0.248 115 R C 0.941 177.349 176.300 0.181 0.000 1.019 115 R CA 0.737 56.910 56.100 0.120 0.000 1.119 115 R CB 0.225 30.610 30.300 0.141 0.000 1.176 115 R HN 0.581 nan 8.270 nan 0.000 0.526 116 A N 0.878 123.785 122.820 0.145 0.000 2.325 116 A HA 0.516 4.849 4.320 0.022 0.000 0.333 116 A C 0.136 177.778 177.584 0.097 0.000 1.155 116 A CA -0.649 51.492 52.037 0.173 0.000 0.814 116 A CB 1.255 20.346 19.000 0.151 0.000 1.206 116 A HN 0.073 nan 8.150 nan 0.000 0.482 117 V N 0.786 120.759 119.914 0.097 0.000 2.439 117 V HA 0.499 4.633 4.120 0.022 0.000 0.282 117 V C -0.219 175.762 176.094 -0.189 0.000 1.039 117 V CA -0.652 61.629 62.300 -0.033 0.000 0.913 117 V CB 0.523 32.339 31.823 -0.013 0.000 0.983 117 V HN 0.898 nan 8.190 nan 0.000 0.460 118 Q N 3.381 123.005 119.800 -0.293 0.000 2.235 118 Q HA 0.594 4.948 4.340 0.022 0.000 0.256 118 Q C -1.006 174.659 176.000 -0.557 0.000 0.951 118 Q CA -0.572 55.088 55.803 -0.239 0.000 0.890 118 Q CB 1.837 30.587 28.738 0.020 0.000 1.279 118 Q HN 0.865 nan 8.270 nan 0.000 0.444 119 H N 0.970 119.985 119.070 -0.090 0.000 2.877 119 H HA 0.306 4.875 4.556 0.022 0.000 0.347 119 H C -1.025 174.041 175.328 -0.437 0.000 1.042 119 H CA -0.704 55.218 56.048 -0.210 0.000 1.276 119 H CB 1.813 31.388 29.762 -0.312 0.000 1.681 119 H HN 0.446 nan 8.280 nan 0.000 0.521 120 R N 2.065 122.292 120.500 -0.455 0.000 2.340 120 R HA 0.135 4.488 4.340 0.022 0.000 0.300 120 R C -0.635 175.381 176.300 -0.473 0.000 1.069 120 R CA -0.316 55.255 56.100 -0.883 0.000 0.984 120 R CB 0.646 30.615 30.300 -0.551 0.000 1.003 120 R HN 0.587 nan 8.270 nan 0.000 0.459 121 E N 3.992 123.883 120.200 -0.515 0.000 2.191 121 E HA 0.245 4.608 4.350 0.022 0.000 0.263 121 E C -1.037 175.257 176.600 -0.509 0.000 0.881 121 E CA -0.707 55.439 56.400 -0.423 0.000 0.757 121 E CB 2.272 31.632 29.700 -0.566 0.000 1.147 121 E HN 0.271 nan 8.360 nan 0.000 0.414 122 V N 2.162 121.842 119.914 -0.390 0.000 2.581 122 V HA 0.223 4.357 4.120 0.022 0.000 0.303 122 V C 0.480 176.353 176.094 -0.370 0.000 1.041 122 V CA -0.993 61.046 62.300 -0.435 0.000 0.907 122 V CB 1.776 33.438 31.823 -0.267 0.000 0.994 122 V HN 0.612 nan 8.190 nan 0.000 0.442 123 Q N 2.163 121.611 119.800 -0.585 0.000 2.269 123 Q HA 0.244 4.597 4.340 0.022 0.000 0.300 123 Q C 1.231 177.216 176.000 -0.025 0.000 1.070 123 Q CA 1.249 56.834 55.803 -0.363 0.000 0.957 123 Q CB 0.266 28.677 28.738 -0.546 0.000 1.131 123 Q HN 1.316 nan 8.270 nan 0.000 0.377 124 G N 3.623 112.490 108.800 0.111 0.000 2.184 124 G HA2 -0.288 3.685 3.960 0.022 0.000 0.264 124 G HA3 -0.288 3.685 3.960 0.022 0.000 0.264 124 G C 0.058 174.827 174.900 -0.217 0.000 0.975 124 G CA 0.382 45.507 45.100 0.042 0.000 0.642 124 G HN 0.665 nan 8.290 nan 0.000 0.536 125 F N 0.767 120.716 119.950 -0.003 0.000 2.837 125 F HA 0.361 4.901 4.527 0.022 0.000 0.328 125 F C 0.628 176.411 175.800 -0.027 0.000 1.173 125 F CA -0.681 57.304 58.000 -0.025 0.000 1.160 125 F CB 0.660 39.619 39.000 -0.069 0.000 1.115 125 F HN 0.037 nan 8.300 nan 0.000 0.512 126 E N 0.929 121.210 120.200 0.134 0.000 2.442 126 E HA 0.149 4.513 4.350 0.022 0.000 0.262 126 E C 0.644 177.308 176.600 0.108 0.000 1.004 126 E CA -0.010 56.454 56.400 0.106 0.000 0.928 126 E CB 0.381 30.241 29.700 0.267 0.000 0.937 126 E HN 0.239 nan 8.360 nan 0.000 0.446 127 S N 1.674 117.423 115.700 0.082 0.000 2.576 127 S HA 0.195 4.678 4.470 0.022 0.000 0.272 127 S C 1.228 175.870 174.600 0.069 0.000 1.352 127 S CA -0.271 57.973 58.200 0.073 0.000 1.021 127 S CB 1.249 64.485 63.200 0.060 0.000 0.887 127 S HN 0.608 nan 8.310 nan 0.000 0.542 128 A N 2.248 125.084 122.820 0.027 0.000 1.865 128 A HA -0.058 4.275 4.320 0.022 0.000 0.217 128 A C 2.365 179.910 177.584 -0.066 0.000 1.191 128 A CA 2.235 54.269 52.037 -0.005 0.000 0.623 128 A CB -2.019 16.977 19.000 -0.006 0.000 0.826 128 A HN 0.917 nan 8.150 nan 0.000 0.444 129 T N -1.007 113.487 114.554 -0.100 0.000 2.699 129 T HA -0.184 4.179 4.350 0.022 0.000 0.268 129 T C 1.576 175.889 174.700 -0.645 0.000 1.036 129 T CA 1.820 63.767 62.100 -0.256 0.000 1.147 129 T CB -0.399 68.373 68.868 -0.160 0.000 0.862 129 T HN 0.484 nan 8.240 nan 0.000 0.446 130 F N 1.187 120.757 119.950 -0.633 0.000 2.084 130 F HA 0.048 4.587 4.527 0.021 0.000 0.296 130 F C 1.933 177.544 175.800 -0.314 0.000 1.111 130 F CA 1.063 58.616 58.000 -0.746 0.000 1.224 130 F CB -0.424 38.400 39.000 -0.294 0.000 0.991 130 F HN 0.033 nan 8.300 nan 0.000 0.471 131 L N -0.018 121.200 121.223 -0.008 0.000 2.191 131 L HA -0.140 4.213 4.340 0.022 0.000 0.212 131 L C 2.600 179.473 176.870 0.006 0.000 1.103 131 L CA 1.229 56.098 54.840 0.048 0.000 0.769 131 L CB -1.182 40.914 42.059 0.063 0.000 0.908 131 L HN 0.353 nan 8.230 nan 0.000 0.438 132 G N -1.677 107.040 108.800 -0.138 0.000 2.534 132 G HA2 -0.233 3.741 3.960 0.022 0.000 0.217 132 G HA3 -0.233 3.741 3.960 0.022 0.000 0.217 132 G C 1.150 176.013 174.900 -0.061 0.000 1.128 132 G CA 0.062 45.103 45.100 -0.099 0.000 0.784 132 G HN 0.262 nan 8.290 nan 0.000 0.542 133 Y N 0.192 120.338 120.300 -0.257 0.000 2.352 133 Y HA 0.175 4.738 4.550 0.022 0.000 0.292 133 Y C 0.546 176.077 175.900 -0.615 0.000 1.136 133 Y CA -0.842 56.941 58.100 -0.528 0.000 1.227 133 Y CB -0.533 37.384 38.460 -0.905 0.000 0.991 133 Y HN 0.085 nan 8.280 nan 0.000 0.545 134 F N 0.554 120.459 119.950 -0.075 0.000 2.404 134 F HA 0.342 4.882 4.527 0.021 0.000 0.354 134 F C 1.170 176.926 175.800 -0.073 0.000 1.122 134 F CA -1.304 56.642 58.000 -0.091 0.000 1.080 134 F CB 1.105 40.024 39.000 -0.134 0.000 1.131 134 F HN -0.338 nan 8.300 nan 0.000 0.471 135 K N 0.695 121.139 120.400 0.074 0.000 2.097 135 K HA -0.096 4.237 4.320 0.022 0.000 0.206 135 K C 1.213 177.826 176.600 0.022 0.000 1.049 135 K CA 1.283 57.585 56.287 0.026 0.000 0.933 135 K CB -0.521 31.979 32.500 -0.000 0.000 0.717 135 K HN 0.585 nan 8.250 nan 0.000 0.442 136 S N -0.567 115.150 115.700 0.028 0.000 2.588 136 S HA 0.443 4.926 4.470 0.022 0.000 0.245 136 S C 0.680 175.257 174.600 -0.038 0.000 1.021 136 S CA -0.108 58.085 58.200 -0.011 0.000 1.006 136 S CB 0.117 63.303 63.200 -0.024 0.000 0.830 136 S HN 0.473 nan 8.310 nan 0.000 0.468 137 G N 1.472 110.257 108.800 -0.025 0.000 2.855 137 G HA2 -0.177 3.796 3.960 0.022 0.000 0.352 137 G HA3 -0.177 3.796 3.960 0.022 0.000 0.352 137 G C -0.756 174.025 174.900 -0.198 0.000 1.415 137 G CA -0.601 44.444 45.100 -0.093 0.000 0.871 137 G HN 0.556 nan 8.290 nan 0.000 0.543 138 L N 0.452 121.495 121.223 -0.300 0.000 2.289 138 L HA 0.454 4.807 4.340 0.022 0.000 0.285 138 L C 0.672 177.263 176.870 -0.466 0.000 1.049 138 L CA -0.652 53.927 54.840 -0.434 0.000 0.804 138 L CB 1.418 43.205 42.059 -0.453 0.000 1.195 138 L HN 0.485 nan 8.230 nan 0.000 0.428 139 K N 4.283 124.467 120.400 -0.361 0.000 2.240 139 K HA 0.402 4.735 4.320 0.022 0.000 0.271 139 K C -1.215 175.300 176.600 -0.141 0.000 1.018 139 K CA -0.421 55.701 56.287 -0.275 0.000 0.874 139 K CB 1.235 33.612 32.500 -0.206 0.000 1.098 139 K HN 0.402 nan 8.250 nan 0.000 0.458 140 Y N 1.800 122.068 120.300 -0.054 0.000 2.334 140 Y HA 0.279 4.842 4.550 0.022 0.000 0.328 140 Y C 0.540 176.425 175.900 -0.024 0.000 1.130 140 Y CA -1.011 57.091 58.100 0.004 0.000 1.163 140 Y CB 1.314 39.820 38.460 0.078 0.000 1.207 140 Y HN 0.163 nan 8.280 nan 0.000 0.471 141 K N 2.660 123.145 120.400 0.143 0.000 2.378 141 K HA 0.268 4.601 4.320 0.022 0.000 0.252 141 K C -0.905 175.822 176.600 0.211 0.000 0.931 141 K CA -1.255 55.056 56.287 0.040 0.000 0.794 141 K CB 2.323 34.626 32.500 -0.328 0.000 1.181 141 K HN 0.494 nan 8.250 nan 0.000 0.425 142 K N 0.845 121.374 120.400 0.215 0.000 2.355 142 K HA 0.369 4.703 4.320 0.022 0.000 0.270 142 K C 0.550 177.367 176.600 0.361 0.000 1.003 142 K CA 1.415 57.846 56.287 0.240 0.000 0.957 142 K CB 0.276 32.871 32.500 0.159 0.000 0.939 142 K HN 0.775 nan 8.250 nan 0.000 0.482 143 G N 0.890 109.851 108.800 0.270 0.000 2.527 143 G HA2 0.278 4.251 3.960 0.022 0.000 0.227 143 G HA3 0.278 4.251 3.960 0.022 0.000 0.227 143 G C 0.143 175.096 174.900 0.088 0.000 1.291 143 G CA -0.205 44.993 45.100 0.163 0.000 0.904 143 G HN 1.568 nan 8.290 nan 0.000 0.577 144 G N -2.972 105.631 108.800 -0.328 0.000 2.369 144 G HA2 0.538 4.511 3.960 0.022 0.000 0.307 144 G HA3 0.538 4.511 3.960 0.022 0.000 0.307 144 G C -0.262 174.401 174.900 -0.395 0.000 1.327 144 G CA 0.610 45.355 45.100 -0.593 0.000 0.963 144 G HN 2.213 nan 8.290 nan 0.000 0.590 145 V N 0.748 120.469 119.914 -0.322 0.000 2.637 145 V HA 0.589 4.723 4.120 0.022 0.000 0.296 145 V C 1.161 177.175 176.094 -0.133 0.000 1.046 145 V CA 0.719 62.902 62.300 -0.196 0.000 1.066 145 V CB 0.634 32.365 31.823 -0.154 0.000 0.968 145 V HN 2.306 nan 8.190 nan 0.000 0.483 146 A N 5.308 128.064 122.820 -0.106 0.000 2.445 146 A HA 0.450 4.783 4.320 0.022 0.000 0.242 146 A C 0.754 178.277 177.584 -0.101 0.000 1.075 146 A CA 0.664 52.653 52.037 -0.079 0.000 0.777 146 A CB 0.200 19.169 19.000 -0.051 0.000 1.013 146 A HN 1.601 nan 8.150 nan 0.000 0.493 147 S N 1.019 116.664 115.700 -0.092 0.000 2.558 147 S HA 0.122 4.606 4.470 0.022 0.000 0.297 147 S C 1.473 175.973 174.600 -0.167 0.000 1.283 147 S CA 0.446 58.562 58.200 -0.140 0.000 1.044 147 S CB 0.221 63.400 63.200 -0.035 0.000 0.789 147 S HN 1.340 nan 8.310 nan 0.000 0.500 148 G N 3.710 112.275 108.800 -0.392 0.000 2.623 148 G HA2 0.116 4.089 3.960 0.022 0.000 0.214 148 G HA3 0.116 4.089 3.960 0.022 0.000 0.214 148 G C 0.385 175.365 174.900 0.135 0.000 1.138 148 G CA -0.435 44.440 45.100 -0.375 0.000 0.794 148 G HN 0.696 nan 8.290 nan 0.000 0.535 149 F N 1.187 121.178 119.950 0.069 0.000 2.538 149 F HA 0.193 4.731 4.527 0.018 0.000 0.371 149 F C 1.028 176.910 175.800 0.136 0.000 1.087 149 F CA -0.479 57.631 58.000 0.183 0.000 1.250 149 F CB 0.861 39.946 39.000 0.141 0.000 1.110 149 F HN -0.118 nan 8.300 nan 0.000 0.570 150 K N 4.271 124.874 120.400 0.338 0.000 2.143 150 K HA 0.144 4.477 4.320 0.022 0.000 0.272 150 K C -0.527 176.155 176.600 0.137 0.000 1.001 150 K CA -0.594 55.809 56.287 0.192 0.000 0.915 150 K CB 0.810 33.389 32.500 0.131 0.000 1.047 150 K HN 0.654 nan 8.250 nan 0.000 0.458 151 H N 2.812 121.902 119.070 0.033 0.000 2.487 151 H HA 0.394 4.962 4.556 0.020 0.000 0.333 151 H C -1.515 173.796 175.328 -0.028 0.000 1.114 151 H CA -0.506 55.535 56.048 -0.012 0.000 1.310 151 H CB 1.572 31.341 29.762 0.012 0.000 1.462 151 H HN 0.361 nan 8.280 nan 0.000 0.516 152 V N 5.940 125.450 119.914 -0.672 0.000 2.752 152 V HA 0.253 4.386 4.120 0.022 0.000 0.302 152 V C -1.386 174.404 176.094 -0.507 0.000 1.133 152 V CA -0.753 61.267 62.300 -0.467 0.000 0.919 152 V CB 1.412 33.100 31.823 -0.224 0.000 1.026 152 V HN 0.558 nan 8.190 nan 0.000 0.429 153 V N 7.864 127.576 119.914 -0.337 0.000 2.408 153 V HA 0.689 4.823 4.120 0.022 0.000 0.267 153 V C -2.222 173.801 176.094 -0.119 0.000 1.047 153 V CA -1.574 60.616 62.300 -0.185 0.000 0.937 153 V CB 1.066 32.846 31.823 -0.073 0.000 0.999 153 V HN 0.940 nan 8.190 nan 0.000 0.472 154 P HA 0.311 nan 4.420 nan 0.000 0.267 154 P C 0.120 177.390 177.300 -0.049 0.000 1.205 154 P CA 0.422 63.476 63.100 -0.077 0.000 0.765 154 P CB 0.247 31.906 31.700 -0.068 0.000 0.828 155 N N -0.794 117.882 118.700 -0.041 0.000 2.936 155 N HA -0.189 4.564 4.740 0.022 0.000 0.236 155 N C 0.093 175.593 175.510 -0.016 0.000 0.930 155 N CA 0.967 54.003 53.050 -0.024 0.000 0.966 155 N CB -1.481 36.995 38.487 -0.019 0.000 1.090 155 N HN 0.610 nan 8.380 nan 0.000 0.592 156 E N 0.811 120.998 120.200 -0.023 0.000 2.373 156 E HA 0.329 4.692 4.350 0.022 0.000 0.267 156 E C -0.486 176.112 176.600 -0.002 0.000 1.032 156 E CA -0.091 56.303 56.400 -0.011 0.000 0.889 156 E CB 0.764 30.455 29.700 -0.015 0.000 0.984 156 E HN 0.075 nan 8.360 nan 0.000 0.425 157 V N 3.273 123.192 119.914 0.009 0.000 2.789 157 V HA 0.390 4.523 4.120 0.022 0.000 0.311 157 V C -0.620 175.486 176.094 0.021 0.000 1.073 157 V CA -0.968 61.342 62.300 0.017 0.000 0.921 157 V CB 1.988 33.825 31.823 0.024 0.000 1.009 157 V HN 0.437 nan 8.190 nan 0.000 0.426 158 V N 3.779 123.707 119.914 0.022 0.000 2.398 158 V HA 0.599 4.733 4.120 0.022 0.000 0.282 158 V C -0.588 175.520 176.094 0.023 0.000 1.014 158 V CA -0.373 61.940 62.300 0.021 0.000 0.838 158 V CB 1.440 33.274 31.823 0.018 0.000 1.018 158 V HN 0.643 nan 8.190 nan 0.000 0.432 159 V N 4.089 124.019 119.914 0.027 0.000 2.760 159 V HA 0.588 4.722 4.120 0.022 0.000 0.309 159 V C -0.652 175.452 176.094 0.017 0.000 1.077 159 V CA -0.420 61.897 62.300 0.028 0.000 0.910 159 V CB 2.222 34.075 31.823 0.050 0.000 1.008 159 V HN 0.879 nan 8.190 nan 0.000 0.424 160 Q N 4.958 124.754 119.800 -0.006 0.000 2.650 160 Q HA 0.511 4.864 4.340 0.022 0.000 0.239 160 Q C -1.051 174.904 176.000 -0.075 0.000 0.893 160 Q CA -0.609 55.176 55.803 -0.029 0.000 0.755 160 Q CB 1.480 30.197 28.738 -0.035 0.000 1.349 160 Q HN 0.922 nan 8.270 nan 0.000 0.461 161 R N 1.903 122.336 120.500 -0.111 0.000 2.740 161 R HA 0.681 5.034 4.340 0.022 0.000 0.273 161 R C -1.791 174.312 176.300 -0.328 0.000 0.998 161 R CA -1.032 54.914 56.100 -0.256 0.000 0.900 161 R CB 1.398 31.486 30.300 -0.354 0.000 1.223 161 R HN 0.301 nan 8.270 nan 0.000 0.466 162 L N 2.003 122.979 121.223 -0.412 0.000 2.334 162 L HA 0.625 4.978 4.340 0.022 0.000 0.276 162 L C -1.586 174.984 176.870 -0.500 0.000 1.014 162 L CA -0.627 54.024 54.840 -0.316 0.000 0.815 162 L CB 1.529 43.486 42.059 -0.169 0.000 1.268 162 L HN 0.687 nan 8.230 nan 0.000 0.428 163 F N 2.053 122.043 119.950 0.068 0.000 2.579 163 F HA 0.592 5.132 4.527 0.021 0.000 0.324 163 F C -0.229 175.605 175.800 0.058 0.000 1.058 163 F CA -0.605 57.428 58.000 0.056 0.000 0.944 163 F CB 1.883 40.907 39.000 0.039 0.000 1.245 163 F HN 0.438 nan 8.300 nan 0.000 0.477 164 Q N 1.718 121.633 119.800 0.193 0.000 2.330 164 Q HA 0.643 4.996 4.340 0.022 0.000 0.269 164 Q C -2.114 173.780 176.000 -0.176 0.000 1.022 164 Q CA -0.653 55.067 55.803 -0.138 0.000 0.796 164 Q CB 2.097 30.834 28.738 -0.002 0.000 1.271 164 Q HN 0.571 nan 8.270 nan 0.000 0.450 165 V N 5.219 124.927 119.914 -0.343 0.000 2.334 165 V HA 0.524 4.657 4.120 0.022 0.000 0.281 165 V C -0.726 175.235 176.094 -0.221 0.000 1.016 165 V CA -0.412 61.762 62.300 -0.210 0.000 0.832 165 V CB 0.951 32.680 31.823 -0.157 0.000 0.999 165 V HN 0.847 nan 8.190 nan 0.000 0.439 166 K N 3.511 123.823 120.400 -0.147 0.000 2.546 166 K HA 0.917 5.250 4.320 0.022 0.000 0.264 166 K C -0.565 175.989 176.600 -0.077 0.000 0.937 166 K CA -0.493 55.729 56.287 -0.108 0.000 0.833 166 K CB 2.618 35.057 32.500 -0.102 0.000 1.378 166 K HN 1.016 nan 8.250 nan 0.000 0.432 167 G N 1.044 109.809 108.800 -0.059 0.000 2.339 167 G HA2 0.078 4.052 3.960 0.022 0.000 0.302 167 G HA3 0.078 4.052 3.960 0.022 0.000 0.302 167 G C -0.887 173.973 174.900 -0.066 0.000 1.425 167 G CA -0.516 44.543 45.100 -0.068 0.000 0.899 167 G HN 0.635 nan 8.290 nan 0.000 0.619 168 R N -0.512 119.927 120.500 -0.102 0.000 2.055 168 R HA 0.247 4.600 4.340 0.022 0.000 0.221 168 R C 1.995 178.118 176.300 -0.295 0.000 1.154 168 R CA 1.060 57.085 56.100 -0.126 0.000 0.975 168 R CB 0.033 30.265 30.300 -0.113 0.000 0.869 168 R HN 0.500 nan 8.270 nan 0.000 0.437 169 R N -0.925 119.340 120.500 -0.391 0.000 2.568 169 R HA 0.236 4.590 4.340 0.022 0.000 0.254 169 R C -0.519 175.551 176.300 -0.383 0.000 0.925 169 R CA -0.039 55.633 56.100 -0.715 0.000 1.025 169 R CB 1.775 31.632 30.300 -0.737 0.000 1.428 169 R HN -0.024 nan 8.270 nan 0.000 0.573 170 V N 2.963 122.732 119.914 -0.242 0.000 2.259 170 V HA 0.266 4.399 4.120 0.022 0.000 0.267 170 V C -0.144 175.858 176.094 -0.153 0.000 1.051 170 V CA -0.546 61.646 62.300 -0.180 0.000 0.830 170 V CB 1.247 32.971 31.823 -0.166 0.000 1.080 170 V HN -0.136 nan 8.190 nan 0.000 0.467 171 V N 5.783 125.616 119.914 -0.136 0.000 2.407 171 V HA 0.627 4.761 4.120 0.022 0.000 0.278 171 V C 0.151 176.139 176.094 -0.177 0.000 1.037 171 V CA -0.652 61.576 62.300 -0.121 0.000 0.900 171 V CB 1.434 33.217 31.823 -0.068 0.000 0.983 171 V HN 0.701 nan 8.190 nan 0.000 0.459 172 R N 2.819 123.208 120.500 -0.185 0.000 2.686 172 R HA 0.734 5.087 4.340 0.022 0.000 0.283 172 R C -0.448 175.743 176.300 -0.182 0.000 0.978 172 R CA -0.655 55.286 56.100 -0.264 0.000 0.897 172 R CB 2.267 32.377 30.300 -0.318 0.000 1.192 172 R HN 0.778 nan 8.270 nan 0.000 0.457 173 A N 1.668 124.360 122.820 -0.215 0.000 2.362 173 A HA 0.515 4.848 4.320 0.022 0.000 0.276 173 A C -0.286 177.316 177.584 0.030 0.000 1.153 173 A CA 0.123 52.085 52.037 -0.125 0.000 0.813 173 A CB 0.482 19.331 19.000 -0.253 0.000 1.081 173 A HN 0.522 nan 8.150 nan 0.000 0.507 174 T N 1.923 116.575 114.554 0.163 0.000 2.861 174 T HA 0.370 4.733 4.350 0.022 0.000 0.287 174 T C -0.386 174.540 174.700 0.376 0.000 1.003 174 T CA -0.361 61.898 62.100 0.266 0.000 0.977 174 T CB 1.267 70.240 68.868 0.175 0.000 0.996 174 T HN 0.801 nan 8.240 nan 0.000 0.448 175 E N 2.497 122.915 120.200 0.363 0.000 2.338 175 E HA 0.490 4.854 4.350 0.022 0.000 0.272 175 E C -0.433 176.187 176.600 0.033 0.000 1.029 175 E CA -0.597 55.899 56.400 0.159 0.000 0.872 175 E CB 0.541 30.293 29.700 0.086 0.000 1.015 175 E HN 0.454 nan 8.360 nan 0.000 0.417 176 V N 1.101 120.987 119.914 -0.046 0.000 3.130 176 V HA 0.629 4.762 4.120 0.022 0.000 0.310 176 V C -2.603 173.449 176.094 -0.071 0.000 1.158 176 V CA -2.644 59.643 62.300 -0.021 0.000 1.029 176 V CB 1.164 33.006 31.823 0.031 0.000 1.057 176 V HN 0.645 nan 8.190 nan 0.000 0.436 177 P HA 0.094 nan 4.420 nan 0.000 0.266 177 P C -0.005 177.241 177.300 -0.090 0.000 1.186 177 P CA 0.094 63.157 63.100 -0.062 0.000 0.767 177 P CB 0.349 32.028 31.700 -0.036 0.000 0.820 178 V N 2.359 122.209 119.914 -0.106 0.000 1.973 178 V HA 0.160 4.294 4.120 0.022 0.000 0.255 178 V C 0.787 176.789 176.094 -0.153 0.000 1.605 178 V CA 0.760 62.978 62.300 -0.136 0.000 1.542 178 V CB -1.271 30.470 31.823 -0.137 0.000 1.504 178 V HN 0.567 nan 8.190 nan 0.000 0.505 179 S N 0.790 116.408 115.700 -0.136 0.000 2.595 179 S HA 0.437 4.920 4.470 0.022 0.000 0.281 179 S C 0.197 174.731 174.600 -0.111 0.000 1.117 179 S CA -0.721 57.397 58.200 -0.137 0.000 0.873 179 S CB 1.181 64.353 63.200 -0.045 0.000 1.108 179 S HN 0.501 nan 8.310 nan 0.000 0.477 180 W N 1.466 122.700 121.300 -0.111 0.000 2.342 180 W HA -0.068 4.606 4.660 0.023 0.000 0.297 180 W C 2.170 178.645 176.519 -0.072 0.000 1.213 180 W CA 1.219 58.449 57.345 -0.192 0.000 1.251 180 W CB -0.034 29.265 29.460 -0.268 0.000 1.136 180 W HN 0.890 nan 8.180 nan 0.000 0.526 181 E N -0.048 120.252 120.200 0.166 0.000 2.284 181 E HA -0.227 4.137 4.350 0.022 0.000 0.200 181 E C 1.927 178.573 176.600 0.077 0.000 1.008 181 E CA 1.558 58.017 56.400 0.098 0.000 0.829 181 E CB -0.117 29.618 29.700 0.058 0.000 0.744 181 E HN 0.102 nan 8.360 nan 0.000 0.491 182 S N -0.638 115.096 115.700 0.056 0.000 2.446 182 S HA 0.043 4.526 4.470 0.022 0.000 0.225 182 S C 0.261 174.755 174.600 -0.176 0.000 1.016 182 S CA 0.037 58.220 58.200 -0.027 0.000 0.943 182 S CB 0.004 63.151 63.200 -0.089 0.000 0.786 182 S HN 0.147 nan 8.310 nan 0.000 0.508 183 F N 2.954 122.644 119.950 -0.433 0.000 2.410 183 F HA 0.329 4.870 4.527 0.022 0.000 0.334 183 F C 0.636 176.334 175.800 -0.169 0.000 1.134 183 F CA -0.402 57.137 58.000 -0.769 0.000 1.227 183 F CB 0.564 39.173 39.000 -0.652 0.000 1.194 183 F HN 0.208 nan 8.300 nan 0.000 0.571 184 N N -0.507 118.361 118.700 0.280 0.000 2.367 184 N HA 0.227 4.981 4.740 0.022 0.000 0.278 184 N C -1.243 174.618 175.510 0.585 0.000 1.117 184 N CA -0.944 52.340 53.050 0.390 0.000 0.867 184 N CB 0.773 39.449 38.487 0.315 0.000 1.649 184 N HN 0.450 nan 8.380 nan 0.000 0.479 185 N N -0.166 118.811 118.700 0.462 0.000 2.609 185 N HA 0.038 4.791 4.740 0.022 0.000 0.190 185 N C 1.010 176.703 175.510 0.305 0.000 1.157 185 N CA 0.712 54.039 53.050 0.463 0.000 0.918 185 N CB 0.126 38.793 38.487 0.301 0.000 0.978 185 N HN 0.773 nan 8.380 nan 0.000 0.448 186 G N -1.269 107.703 108.800 0.287 0.000 3.126 186 G HA2 0.033 4.006 3.960 0.022 0.000 0.224 186 G HA3 0.033 4.006 3.960 0.022 0.000 0.224 186 G C -0.003 174.986 174.900 0.149 0.000 1.142 186 G CA -0.060 45.146 45.100 0.177 0.000 0.759 186 G HN 0.124 nan 8.290 nan 0.000 0.550 187 D N -1.195 119.340 120.400 0.226 0.000 2.758 187 D HA 0.535 5.189 4.640 0.022 0.000 0.279 187 D C -0.632 175.675 176.300 0.012 0.000 1.111 187 D CA -0.302 53.712 54.000 0.024 0.000 1.109 187 D CB 1.531 42.221 40.800 -0.183 0.000 1.428 187 D HN -0.062 nan 8.370 nan 0.000 0.586 188 C N 0.074 119.201 119.300 -0.288 0.000 2.614 188 C HA 0.743 5.216 4.460 0.022 0.000 0.320 188 C C -0.910 173.765 174.990 -0.526 0.000 1.200 188 C CA -0.579 58.361 59.018 -0.129 0.000 1.700 188 C CB 0.310 28.013 27.740 -0.063 0.000 2.275 188 C HN 0.388 nan 8.230 nan 0.000 0.492 189 F N 1.386 121.469 119.950 0.222 0.000 2.581 189 F HA 0.625 5.165 4.527 0.022 0.000 0.311 189 F C -0.218 175.692 175.800 0.183 0.000 1.113 189 F CA -0.566 57.469 58.000 0.059 0.000 0.935 189 F CB 1.029 39.794 39.000 -0.391 0.000 1.232 189 F HN 0.250 nan 8.300 nan 0.000 0.445 190 I N 4.172 124.938 120.570 0.328 0.000 2.355 190 I HA 0.322 4.505 4.170 0.022 0.000 0.288 190 I C -1.099 175.199 176.117 0.301 0.000 0.999 190 I CA -0.793 60.705 61.300 0.331 0.000 1.163 190 I CB 1.773 39.965 38.000 0.321 0.000 1.316 190 I HN 0.363 nan 8.210 nan 0.000 0.454 191 L N 6.814 128.207 121.223 0.282 0.000 2.314 191 L HA 0.377 4.731 4.340 0.022 0.000 0.275 191 L C -0.278 176.713 176.870 0.203 0.000 1.068 191 L CA -0.094 54.856 54.840 0.184 0.000 0.894 191 L CB 0.346 42.492 42.059 0.146 0.000 1.275 191 L HN 0.421 nan 8.230 nan 0.000 0.432 192 D N 4.578 125.071 120.400 0.155 0.000 2.352 192 D HA 0.136 4.790 4.640 0.022 0.000 0.245 192 D C 0.230 176.594 176.300 0.106 0.000 1.224 192 D CA 0.135 54.232 54.000 0.162 0.000 0.879 192 D CB 0.679 41.612 40.800 0.221 0.000 1.057 192 D HN 0.593 nan 8.370 nan 0.000 0.491 193 L N 3.606 124.905 121.223 0.127 0.000 3.017 193 L HA 0.361 4.715 4.340 0.022 0.000 0.255 193 L C 1.647 178.565 176.870 0.081 0.000 1.247 193 L CA -0.251 54.646 54.840 0.095 0.000 1.038 193 L CB -0.202 41.933 42.059 0.127 0.000 1.380 193 L HN 0.695 nan 8.230 nan 0.000 0.548 194 G N 1.050 109.897 108.800 0.080 0.000 3.487 194 G HA2 -0.405 3.568 3.960 0.022 0.000 0.295 194 G HA3 -0.405 3.568 3.960 0.022 0.000 0.295 194 G C 0.858 175.794 174.900 0.060 0.000 1.454 194 G CA 0.542 45.681 45.100 0.065 0.000 1.039 194 G HN 0.358 nan 8.290 nan 0.000 0.624 195 N N 2.520 121.253 118.700 0.055 0.000 2.348 195 N HA 0.003 4.757 4.740 0.022 0.000 0.185 195 N C 0.531 176.080 175.510 0.064 0.000 1.019 195 N CA 1.349 54.430 53.050 0.051 0.000 0.880 195 N CB -0.125 38.392 38.487 0.051 0.000 0.965 195 N HN 0.584 nan 8.380 nan 0.000 0.437 196 N N -0.123 118.627 118.700 0.083 0.000 2.238 196 N HA 0.374 5.128 4.740 0.022 0.000 0.302 196 N C -1.018 174.533 175.510 0.068 0.000 1.072 196 N CA -0.408 52.697 53.050 0.091 0.000 0.792 196 N CB 2.412 40.972 38.487 0.121 0.000 1.425 196 N HN -0.099 nan 8.380 nan 0.000 0.478 197 I N 1.680 122.257 120.570 0.012 0.000 2.447 197 I HA 0.205 4.388 4.170 0.022 0.000 0.287 197 I C -0.832 175.280 176.117 -0.009 0.000 1.023 197 I CA -0.543 60.792 61.300 0.058 0.000 1.083 197 I CB 1.274 39.315 38.000 0.068 0.000 1.245 197 I HN 0.360 nan 8.210 nan 0.000 0.434 198 H N 4.696 123.894 119.070 0.214 0.000 2.519 198 H HA 0.366 4.935 4.556 0.022 0.000 0.316 198 H C -0.567 174.925 175.328 0.274 0.000 1.065 198 H CA -0.374 55.822 56.048 0.246 0.000 1.264 198 H CB 1.199 31.083 29.762 0.203 0.000 1.413 198 H HN 0.470 nan 8.280 nan 0.000 0.465 199 Q N 3.753 123.764 119.800 0.353 0.000 2.290 199 Q HA 0.261 4.614 4.340 0.022 0.000 0.259 199 Q C -1.459 174.803 176.000 0.436 0.000 0.941 199 Q CA -0.969 55.034 55.803 0.333 0.000 0.912 199 Q CB 1.281 30.137 28.738 0.195 0.000 1.244 199 Q HN 0.745 nan 8.270 nan 0.000 0.441 200 W N 5.053 126.531 121.300 0.298 0.000 2.839 200 W HA 0.582 5.256 4.660 0.022 0.000 0.334 200 W C -1.840 174.875 176.519 0.326 0.000 1.064 200 W CA -0.435 57.120 57.345 0.350 0.000 1.236 200 W CB 1.358 31.133 29.460 0.526 0.000 1.405 200 W HN 0.672 nan 8.180 nan 0.000 0.478 201 C N 5.059 124.221 119.300 -0.231 0.000 2.397 201 C HA 0.709 5.182 4.460 0.022 0.000 0.325 201 C C 0.965 175.549 174.990 -0.677 0.000 1.201 201 C CA -0.629 58.247 59.018 -0.236 0.000 1.377 201 C CB 0.612 28.282 27.740 -0.116 0.000 2.038 201 C HN 0.907 nan 8.230 nan 0.000 0.457 202 G N 2.052 110.604 108.800 -0.413 0.000 2.614 202 G HA2 0.319 4.292 3.960 0.022 0.000 0.239 202 G HA3 0.319 4.292 3.960 0.022 0.000 0.239 202 G C 0.908 175.719 174.900 -0.147 0.000 1.240 202 G CA 0.127 45.070 45.100 -0.262 0.000 0.842 202 G HN 0.933 nan 8.290 nan 0.000 0.584 203 S N 0.890 116.536 115.700 -0.090 0.000 2.447 203 S HA -0.116 4.367 4.470 0.022 0.000 0.233 203 S C 1.550 176.142 174.600 -0.013 0.000 1.006 203 S CA 0.790 58.956 58.200 -0.056 0.000 0.957 203 S CB -0.021 63.160 63.200 -0.032 0.000 0.773 203 S HN 0.561 nan 8.310 nan 0.000 0.507 204 N N 1.963 120.677 118.700 0.024 0.000 2.336 204 N HA 0.109 4.862 4.740 0.022 0.000 0.189 204 N C 0.298 175.831 175.510 0.039 0.000 1.113 204 N CA 0.258 53.331 53.050 0.039 0.000 0.858 204 N CB 0.134 38.659 38.487 0.064 0.000 0.970 204 N HN 0.592 nan 8.380 nan 0.000 0.471 205 S N 1.077 116.794 115.700 0.028 0.000 2.584 205 S HA 0.156 4.640 4.470 0.022 0.000 0.270 205 S C 0.372 174.980 174.600 0.013 0.000 1.346 205 S CA -0.785 57.428 58.200 0.021 0.000 1.018 205 S CB 0.701 63.903 63.200 0.004 0.000 0.899 205 S HN 0.400 nan 8.310 nan 0.000 0.542 206 N N 0.308 119.023 118.700 0.026 0.000 2.485 206 N HA 0.313 5.066 4.740 0.022 0.000 0.280 206 N C 0.800 176.324 175.510 0.024 0.000 1.205 206 N CA -1.133 51.942 53.050 0.043 0.000 0.959 206 N CB 0.573 39.117 38.487 0.094 0.000 1.206 206 N HN 0.690 nan 8.380 nan 0.000 0.545 207 R N -0.473 120.019 120.500 -0.014 0.000 2.113 207 R HA -0.229 4.124 4.340 0.022 0.000 0.244 207 R C 0.976 177.173 176.300 -0.171 0.000 1.142 207 R CA 1.895 57.908 56.100 -0.146 0.000 0.953 207 R CB -0.492 29.633 30.300 -0.293 0.000 0.860 207 R HN 0.732 nan 8.270 nan 0.000 0.438 208 Y N 0.249 120.524 120.300 -0.041 0.000 2.242 208 Y HA -0.108 4.456 4.550 0.022 0.000 0.291 208 Y C 2.278 178.141 175.900 -0.060 0.000 1.137 208 Y CA 1.391 59.461 58.100 -0.050 0.000 1.181 208 Y CB -0.133 38.295 38.460 -0.053 0.000 0.989 208 Y HN 0.204 nan 8.280 nan 0.000 0.527 209 E N -0.003 120.252 120.200 0.092 0.000 2.110 209 E HA -0.186 4.178 4.350 0.022 0.000 0.193 209 E C 2.187 178.776 176.600 -0.018 0.000 0.988 209 E CA 0.977 57.383 56.400 0.010 0.000 0.804 209 E CB -0.079 29.614 29.700 -0.011 0.000 0.745 209 E HN 0.463 nan 8.360 nan 0.000 0.458 210 R N 0.278 120.765 120.500 -0.022 0.000 2.062 210 R HA -0.108 4.245 4.340 0.022 0.000 0.231 210 R C 2.495 178.774 176.300 -0.035 0.000 1.136 210 R CA 0.875 56.956 56.100 -0.032 0.000 0.948 210 R CB -0.500 29.773 30.300 -0.045 0.000 0.845 210 R HN 0.099 nan 8.270 nan 0.000 0.430 211 L N 1.611 122.805 121.223 -0.048 0.000 2.012 211 L HA -0.229 4.124 4.340 0.022 0.000 0.210 211 L C 2.322 179.171 176.870 -0.036 0.000 1.073 211 L CA 1.805 56.615 54.840 -0.050 0.000 0.748 211 L CB -0.277 41.738 42.059 -0.073 0.000 0.891 211 L HN -0.050 nan 8.230 nan 0.000 0.431 212 K N -0.288 120.094 120.400 -0.029 0.000 2.032 212 K HA -0.124 4.209 4.320 0.022 0.000 0.209 212 K C 2.012 178.578 176.600 -0.057 0.000 1.048 212 K CA 1.661 57.919 56.287 -0.047 0.000 0.927 212 K CB -0.658 31.809 32.500 -0.055 0.000 0.712 212 K HN 0.418 nan 8.250 nan 0.000 0.441 213 A N -0.227 122.567 122.820 -0.043 0.000 1.908 213 A HA -0.191 4.143 4.320 0.022 0.000 0.218 213 A C 2.210 179.787 177.584 -0.011 0.000 1.181 213 A CA 2.473 54.495 52.037 -0.025 0.000 0.627 213 A CB -1.252 17.747 19.000 -0.002 0.000 0.818 213 A HN 0.494 nan 8.150 nan 0.000 0.445 214 T N -0.141 114.404 114.554 -0.014 0.000 2.708 214 T HA -0.203 4.161 4.350 0.022 0.000 0.266 214 T C 2.046 176.732 174.700 -0.023 0.000 1.037 214 T CA 1.657 63.750 62.100 -0.012 0.000 1.146 214 T CB -0.333 68.525 68.868 -0.017 0.000 0.865 214 T HN 0.615 nan 8.240 nan 0.000 0.435 215 Q N 0.233 120.012 119.800 -0.035 0.000 2.061 215 Q HA -0.103 4.251 4.340 0.022 0.000 0.204 215 Q C 2.596 178.560 176.000 -0.059 0.000 0.984 215 Q CA 1.393 57.169 55.803 -0.044 0.000 0.846 215 Q CB -0.449 28.259 28.738 -0.050 0.000 0.902 215 Q HN 0.342 nan 8.270 nan 0.000 0.421 216 V N 0.154 120.021 119.914 -0.077 0.000 2.427 216 V HA -0.233 3.900 4.120 0.022 0.000 0.248 216 V C 2.131 178.187 176.094 -0.063 0.000 1.051 216 V CA 1.842 64.079 62.300 -0.104 0.000 1.048 216 V CB -0.394 31.334 31.823 -0.158 0.000 0.666 216 V HN 0.290 nan 8.190 nan 0.000 0.456 217 S N -0.508 115.177 115.700 -0.025 0.000 2.383 217 S HA -0.172 4.311 4.470 0.022 0.000 0.227 217 S C 1.980 176.578 174.600 -0.005 0.000 1.026 217 S CA 1.320 59.525 58.200 0.008 0.000 0.981 217 S CB -0.200 63.019 63.200 0.032 0.000 0.818 217 S HN 0.591 nan 8.310 nan 0.000 0.472 218 K N 0.753 121.142 120.400 -0.017 0.000 2.103 218 K HA 0.011 4.345 4.320 0.022 0.000 0.204 218 K C 2.419 179.005 176.600 -0.022 0.000 1.052 218 K CA 0.972 57.247 56.287 -0.020 0.000 0.945 218 K CB -0.489 31.998 32.500 -0.021 0.000 0.722 218 K HN 0.398 nan 8.250 nan 0.000 0.443 219 G N 1.749 110.528 108.800 -0.034 0.000 2.440 219 G HA2 -0.238 3.735 3.960 0.022 0.000 0.218 219 G HA3 -0.238 3.735 3.960 0.022 0.000 0.218 219 G C 1.519 176.401 174.900 -0.029 0.000 1.154 219 G CA 0.739 45.813 45.100 -0.043 0.000 0.767 219 G HN 0.125 nan 8.290 nan 0.000 0.552 220 I N 0.011 120.569 120.570 -0.020 0.000 2.179 220 I HA -0.146 4.037 4.170 0.022 0.000 0.242 220 I C 2.832 178.958 176.117 0.014 0.000 1.088 220 I CA 1.282 62.587 61.300 0.010 0.000 1.357 220 I CB -0.260 37.765 38.000 0.041 0.000 1.051 220 I HN 0.123 nan 8.210 nan 0.000 0.409 221 R N 1.057 121.560 120.500 0.005 0.000 2.075 221 R HA -0.187 4.166 4.340 0.022 0.000 0.230 221 R C 1.850 178.147 176.300 -0.004 0.000 1.140 221 R CA 2.216 58.316 56.100 -0.001 0.000 0.928 221 R CB -0.211 30.080 30.300 -0.015 0.000 0.834 221 R HN 0.284 nan 8.270 nan 0.000 0.429 222 D N -0.297 120.098 120.400 -0.009 0.000 2.194 222 D HA -0.104 4.549 4.640 0.022 0.000 0.204 222 D C 1.381 177.677 176.300 -0.005 0.000 0.964 222 D CA 0.810 54.805 54.000 -0.008 0.000 0.846 222 D CB -0.186 40.609 40.800 -0.009 0.000 0.962 222 D HN 0.260 nan 8.370 nan 0.000 0.490 223 N N 0.858 119.553 118.700 -0.008 0.000 2.418 223 N HA -0.057 4.696 4.740 0.022 0.000 0.199 223 N C 1.492 177.002 175.510 -0.001 0.000 1.044 223 N CA 0.559 53.603 53.050 -0.009 0.000 0.943 223 N CB 0.166 38.639 38.487 -0.024 0.000 1.154 223 N HN -0.009 nan 8.380 nan 0.000 0.467 224 E N 0.036 120.239 120.200 0.006 0.000 2.153 224 E HA -0.088 4.276 4.350 0.022 0.000 0.194 224 E C 0.994 177.607 176.600 0.022 0.000 0.988 224 E CA 0.810 57.224 56.400 0.023 0.000 0.811 224 E CB 0.180 29.906 29.700 0.043 0.000 0.746 224 E HN 0.258 nan 8.360 nan 0.000 0.466 225 R N -0.319 120.191 120.500 0.018 0.000 2.432 225 R HA 0.190 4.543 4.340 0.022 0.000 0.260 225 R C 0.536 176.840 176.300 0.006 0.000 0.935 225 R CA 0.002 56.112 56.100 0.016 0.000 1.080 225 R CB 0.679 30.991 30.300 0.020 0.000 1.155 225 R HN -0.073 nan 8.270 nan 0.000 0.531 226 S N -0.217 115.485 115.700 0.003 0.000 3.476 226 S HA -0.202 4.281 4.470 0.022 0.000 0.309 226 S C 1.049 175.647 174.600 -0.003 0.000 1.222 226 S CA 1.217 59.416 58.200 -0.001 0.000 0.922 226 S CB -1.223 61.975 63.200 -0.003 0.000 1.023 226 S HN 0.788 nan 8.310 nan 0.000 0.591 227 G N 0.251 109.049 108.800 -0.003 0.000 2.175 227 G HA2 -0.312 3.662 3.960 0.022 0.000 0.244 227 G HA3 -0.312 3.662 3.960 0.022 0.000 0.244 227 G C 0.196 175.091 174.900 -0.007 0.000 0.982 227 G CA 0.381 45.477 45.100 -0.007 0.000 0.641 227 G HN 0.611 nan 8.290 nan 0.000 0.527 228 R N 0.778 121.277 120.500 -0.003 0.000 3.192 228 R HA 0.574 4.927 4.340 0.022 0.000 0.264 228 R C 0.800 177.102 176.300 0.004 0.000 1.464 228 R CA 0.730 56.830 56.100 -0.000 0.000 1.309 228 R CB -0.093 30.208 30.300 0.002 0.000 1.283 228 R HN 0.617 nan 8.270 nan 0.000 0.584 229 A N 0.203 123.022 122.820 -0.003 0.000 2.532 229 A HA 0.669 5.002 4.320 0.022 0.000 0.290 229 A C -0.821 176.744 177.584 -0.032 0.000 1.143 229 A CA -0.810 51.225 52.037 -0.002 0.000 0.728 229 A CB 1.513 20.518 19.000 0.008 0.000 1.317 229 A HN 0.253 nan 8.150 nan 0.000 0.414 230 R N -0.065 120.405 120.500 -0.051 0.000 2.599 230 R HA 0.595 4.948 4.340 0.022 0.000 0.295 230 R C -1.694 174.449 176.300 -0.263 0.000 0.963 230 R CA -0.665 55.331 56.100 -0.173 0.000 0.883 230 R CB 2.271 32.444 30.300 -0.211 0.000 1.171 230 R HN 0.425 nan 8.270 nan 0.000 0.450 231 V N 3.857 123.584 119.914 -0.311 0.000 2.347 231 V HA 0.243 4.376 4.120 0.022 0.000 0.280 231 V C -0.808 175.080 176.094 -0.343 0.000 1.021 231 V CA -0.729 61.434 62.300 -0.229 0.000 0.847 231 V CB 1.164 32.931 31.823 -0.094 0.000 0.990 231 V HN 0.709 nan 8.190 nan 0.000 0.444 232 H N 2.834 121.844 119.070 -0.101 0.000 2.541 232 H HA 0.544 5.113 4.556 0.022 0.000 0.316 232 H C -0.112 175.258 175.328 0.069 0.000 1.043 232 H CA -0.536 55.491 56.048 -0.036 0.000 1.232 232 H CB 1.690 31.393 29.762 -0.097 0.000 1.406 232 H HN 0.576 nan 8.280 nan 0.000 0.469 233 V N 2.212 122.228 119.914 0.171 0.000 2.481 233 V HA 0.826 4.959 4.120 0.022 0.000 0.286 233 V C -0.137 176.068 176.094 0.185 0.000 1.042 233 V CA -0.252 62.148 62.300 0.167 0.000 0.928 233 V CB 1.202 33.079 31.823 0.089 0.000 0.986 233 V HN 0.895 nan 8.190 nan 0.000 0.462 234 S N 3.213 119.038 115.700 0.208 0.000 2.625 234 S HA 0.820 5.303 4.470 0.022 0.000 0.271 234 S C -0.750 173.890 174.600 0.066 0.000 1.161 234 S CA -0.351 57.963 58.200 0.189 0.000 0.820 234 S CB 2.020 65.399 63.200 0.299 0.000 1.137 234 S HN 1.228 nan 8.310 nan 0.000 0.470 235 E N 0.102 120.297 120.200 -0.008 0.000 2.359 235 E HA 0.464 4.827 4.350 0.022 0.000 0.223 235 E C -1.080 175.504 176.600 -0.026 0.000 0.877 235 E CA -1.129 55.075 56.400 -0.327 0.000 0.887 235 E CB 0.354 29.904 29.700 -0.251 0.000 1.890 235 E HN 0.686 nan 8.360 nan 0.000 0.419 236 E N -0.190 119.975 120.200 -0.059 0.000 2.328 236 E HA 0.262 4.625 4.350 0.022 0.000 0.265 236 E C 0.376 177.031 176.600 0.092 0.000 1.057 236 E CA 1.154 57.637 56.400 0.138 0.000 0.916 236 E CB -0.177 29.570 29.700 0.079 0.000 0.993 236 E HN 0.799 nan 8.360 nan 0.000 0.446 237 G N 3.294 112.162 108.800 0.114 0.000 2.175 237 G HA2 -0.303 3.671 3.960 0.022 0.000 0.244 237 G HA3 -0.303 3.671 3.960 0.022 0.000 0.244 237 G C 0.687 175.628 174.900 0.068 0.000 0.982 237 G CA 0.567 45.703 45.100 0.060 0.000 0.641 237 G HN 0.757 nan 8.290 nan 0.000 0.527 238 T N -0.947 113.671 114.554 0.107 0.000 3.231 238 T HA 0.450 4.814 4.350 0.022 0.000 0.292 238 T C 0.390 175.178 174.700 0.147 0.000 1.001 238 T CA 0.593 62.754 62.100 0.102 0.000 0.920 238 T CB 0.392 69.308 68.868 0.081 0.000 1.140 238 T HN 0.571 nan 8.240 nan 0.000 0.525 239 E N 2.462 122.776 120.200 0.189 0.000 2.376 239 E HA 0.316 4.679 4.350 0.022 0.000 0.266 239 E C -2.699 173.969 176.600 0.112 0.000 1.009 239 E CA -2.062 54.464 56.400 0.210 0.000 0.902 239 E CB 0.086 29.948 29.700 0.270 0.000 0.972 239 E HN 0.245 nan 8.360 nan 0.000 0.439 240 P HA 0.082 nan 4.420 nan 0.000 0.274 240 P C 0.784 178.073 177.300 -0.020 0.000 1.237 240 P CA -0.445 62.677 63.100 0.036 0.000 0.793 240 P CB 0.709 32.443 31.700 0.055 0.000 0.977 241 E N 1.168 121.361 120.200 -0.012 0.000 2.130 241 E HA -0.236 4.128 4.350 0.022 0.000 0.196 241 E C 1.904 178.472 176.600 -0.055 0.000 0.998 241 E CA 1.933 58.320 56.400 -0.022 0.000 0.806 241 E CB -0.669 29.025 29.700 -0.009 0.000 0.738 241 E HN 0.522 nan 8.360 nan 0.000 0.459 242 A N 1.040 123.815 122.820 -0.074 0.000 1.883 242 A HA -0.214 4.120 4.320 0.022 0.000 0.217 242 A C 2.277 179.733 177.584 -0.213 0.000 1.186 242 A CA 2.035 54.011 52.037 -0.101 0.000 0.624 242 A CB -0.595 18.381 19.000 -0.039 0.000 0.822 242 A HN 0.330 nan 8.150 nan 0.000 0.444 243 M N -0.575 118.804 119.600 -0.369 0.000 2.117 243 M HA -0.061 4.433 4.480 0.022 0.000 0.262 243 M C 1.773 177.932 176.300 -0.235 0.000 1.065 243 M CA 1.571 56.616 55.300 -0.425 0.000 1.114 243 M CB -0.237 32.092 32.600 -0.452 0.000 1.361 243 M HN 0.396 nan 8.290 nan 0.000 0.408 244 L N -0.419 120.747 121.223 -0.094 0.000 2.275 244 L HA -0.175 4.179 4.340 0.022 0.000 0.215 244 L C 2.238 179.091 176.870 -0.029 0.000 1.119 244 L CA 0.975 55.820 54.840 0.009 0.000 0.790 244 L CB -0.499 41.585 42.059 0.042 0.000 0.919 244 L HN 0.465 nan 8.230 nan 0.000 0.443 245 Q N -0.960 118.799 119.800 -0.069 0.000 2.424 245 Q HA -0.038 4.316 4.340 0.022 0.000 0.204 245 Q C 1.966 177.916 176.000 -0.083 0.000 0.933 245 Q CA 0.286 56.054 55.803 -0.057 0.000 0.929 245 Q CB 0.525 29.237 28.738 -0.043 0.000 1.037 245 Q HN 0.291 nan 8.270 nan 0.000 0.511 246 V N -0.207 119.625 119.914 -0.136 0.000 2.426 246 V HA -0.112 4.021 4.120 0.022 0.000 0.242 246 V C 1.644 177.612 176.094 -0.210 0.000 1.036 246 V CA 1.222 63.425 62.300 -0.161 0.000 1.044 246 V CB -0.052 31.661 31.823 -0.184 0.000 0.688 246 V HN 0.339 nan 8.190 nan 0.000 0.462 247 L N -0.266 120.762 121.223 -0.324 0.000 2.567 247 L HA 0.484 4.838 4.340 0.022 0.000 0.225 247 L C 1.127 177.897 176.870 -0.167 0.000 1.119 247 L CA 0.687 55.221 54.840 -0.510 0.000 0.871 247 L CB -0.348 40.879 42.059 -1.387 0.000 1.036 247 L HN 0.525 nan 8.230 nan 0.000 0.459 248 G N 0.149 108.957 108.800 0.013 0.000 2.728 248 G HA2 -0.169 3.804 3.960 0.022 0.000 0.294 248 G HA3 -0.169 3.804 3.960 0.022 0.000 0.294 248 G C -2.808 172.250 174.900 0.263 0.000 1.342 248 G CA -1.155 44.021 45.100 0.127 0.000 0.866 248 G HN -0.048 nan 8.290 nan 0.000 0.534 249 P HA 0.227 nan 4.420 nan 0.000 0.269 249 P C -0.169 177.028 177.300 -0.171 0.000 1.215 249 P CA -0.191 62.916 63.100 0.011 0.000 0.780 249 P CB 0.528 32.206 31.700 -0.037 0.000 0.898 250 K N 3.605 123.792 120.400 -0.355 0.000 2.363 250 K HA 0.179 4.512 4.320 0.022 0.000 0.289 250 K C -1.885 174.345 176.600 -0.616 0.000 1.063 250 K CA -1.014 54.779 56.287 -0.823 0.000 0.967 250 K CB -0.202 31.946 32.500 -0.587 0.000 0.987 250 K HN 0.401 nan 8.250 nan 0.000 0.473 251 P HA 0.308 nan 4.420 nan 0.000 0.321 251 P C -0.948 176.151 177.300 -0.335 0.000 1.304 251 P CA -0.731 62.137 63.100 -0.386 0.000 0.759 251 P CB 0.382 31.911 31.700 -0.286 0.000 1.385 252 A N -0.539 122.164 122.820 -0.195 0.000 2.406 252 A HA 0.455 4.788 4.320 0.022 0.000 0.243 252 A C -0.485 177.026 177.584 -0.122 0.000 1.082 252 A CA 0.242 52.200 52.037 -0.132 0.000 0.786 252 A CB -0.750 18.206 19.000 -0.072 0.000 1.029 252 A HN 0.405 nan 8.150 nan 0.000 0.495 253 L N 1.937 123.125 121.223 -0.058 0.000 2.401 253 L HA 0.542 4.895 4.340 0.022 0.000 0.266 253 L C -2.008 174.897 176.870 0.059 0.000 0.991 253 L CA -1.188 53.656 54.840 0.007 0.000 0.818 253 L CB 2.001 44.085 42.059 0.041 0.000 1.321 253 L HN 0.590 nan 8.230 nan 0.000 0.413 254 P HA 0.199 nan 4.420 nan 0.000 0.272 254 P C 0.052 177.422 177.300 0.117 0.000 1.230 254 P CA -0.394 62.758 63.100 0.086 0.000 0.788 254 P CB 0.954 32.706 31.700 0.086 0.000 0.949 255 A N 1.506 124.384 122.820 0.096 0.000 1.933 255 A HA 0.156 4.489 4.320 0.022 0.000 0.218 255 A C 1.701 179.358 177.584 0.122 0.000 1.175 255 A CA 2.173 54.271 52.037 0.102 0.000 0.628 255 A CB -1.318 17.724 19.000 0.071 0.000 0.814 255 A HN 0.807 nan 8.150 nan 0.000 0.444 256 G N -3.681 105.188 108.800 0.115 0.000 2.316 256 G HA2 -0.015 3.958 3.960 0.022 0.000 0.203 256 G HA3 -0.015 3.958 3.960 0.022 0.000 0.203 256 G C 0.815 175.770 174.900 0.092 0.000 0.999 256 G CA 0.409 45.585 45.100 0.127 0.000 0.649 256 G HN 1.630 nan 8.290 nan 0.000 0.489 257 T N -0.715 113.882 114.554 0.072 0.000 0.541 257 T HA -0.013 4.351 4.350 0.022 0.000 0.774 257 T C -0.046 174.683 174.700 0.049 0.000 0.992 257 T CA 1.715 63.846 62.100 0.053 0.000 4.077 257 T CB -0.863 68.033 68.868 0.047 0.000 2.303 257 T HN 1.999 nan 8.240 nan 0.000 0.398 258 E N 0.426 120.648 120.200 0.036 0.000 2.281 258 E HA 0.585 4.949 4.350 0.022 0.000 0.262 258 E C -1.532 175.080 176.600 0.021 0.000 0.933 258 E CA -1.167 55.251 56.400 0.029 0.000 0.809 258 E CB 1.396 31.110 29.700 0.023 0.000 1.242 258 E HN 0.581 nan 8.360 nan 0.000 0.418 259 D N 2.497 122.905 120.400 0.012 0.000 2.313 259 D HA 0.123 4.776 4.640 0.022 0.000 0.239 259 D C -0.078 176.214 176.300 -0.013 0.000 1.142 259 D CA -0.109 53.890 54.000 -0.002 0.000 0.847 259 D CB 1.496 42.289 40.800 -0.013 0.000 1.082 259 D HN 0.554 nan 8.370 nan 0.000 0.480 260 T N -1.569 112.977 114.554 -0.014 0.000 2.816 260 T HA 0.384 4.747 4.350 0.022 0.000 0.282 260 T C 1.416 176.096 174.700 -0.033 0.000 0.993 260 T CA -0.774 61.316 62.100 -0.018 0.000 0.994 260 T CB 1.601 70.463 68.868 -0.009 0.000 1.025 260 T HN 0.292 nan 8.240 nan 0.000 0.529 261 A N 0.302 123.101 122.820 -0.034 0.000 1.969 261 A HA -0.015 4.318 4.320 0.022 0.000 0.218 261 A C 2.363 179.922 177.584 -0.041 0.000 1.169 261 A CA 1.101 53.111 52.037 -0.045 0.000 0.635 261 A CB -0.702 18.275 19.000 -0.039 0.000 0.810 261 A HN 0.859 nan 8.150 nan 0.000 0.445 262 K N -0.626 119.757 120.400 -0.029 0.000 2.103 262 K HA -0.115 4.218 4.320 0.022 0.000 0.204 262 K C 2.073 178.659 176.600 -0.024 0.000 1.052 262 K CA 1.137 57.410 56.287 -0.023 0.000 0.945 262 K CB -0.092 32.400 32.500 -0.013 0.000 0.722 262 K HN 0.612 nan 8.250 nan 0.000 0.443 263 E N 1.157 121.343 120.200 -0.023 0.000 2.153 263 E HA -0.217 4.147 4.350 0.022 0.000 0.194 263 E C 1.158 177.736 176.600 -0.037 0.000 0.988 263 E CA 1.219 57.607 56.400 -0.021 0.000 0.811 263 E CB 0.126 29.816 29.700 -0.016 0.000 0.746 263 E HN 0.184 nan 8.360 nan 0.000 0.466 264 D N 0.210 120.577 120.400 -0.055 0.000 2.097 264 D HA -0.102 4.552 4.640 0.022 0.000 0.195 264 D C 1.827 178.085 176.300 -0.069 0.000 0.989 264 D CA 1.495 55.449 54.000 -0.078 0.000 0.827 264 D CB -0.289 40.451 40.800 -0.100 0.000 0.966 264 D HN 0.271 nan 8.370 nan 0.000 0.456 265 A N 0.833 123.620 122.820 -0.055 0.000 1.908 265 A HA -0.111 4.222 4.320 0.022 0.000 0.218 265 A C 2.294 179.855 177.584 -0.039 0.000 1.181 265 A CA 2.413 54.421 52.037 -0.048 0.000 0.627 265 A CB -0.722 18.256 19.000 -0.037 0.000 0.818 265 A HN 0.252 nan 8.150 nan 0.000 0.445 266 A N -0.066 122.738 122.820 -0.026 0.000 1.930 266 A HA -0.172 4.161 4.320 0.022 0.000 0.217 266 A C 1.906 179.484 177.584 -0.011 0.000 1.175 266 A CA 1.474 53.505 52.037 -0.010 0.000 0.627 266 A CB -0.762 18.240 19.000 0.003 0.000 0.815 266 A HN 0.716 nan 8.150 nan 0.000 0.443 267 N N -0.666 118.017 118.700 -0.028 0.000 2.223 267 N HA -0.124 4.630 4.740 0.022 0.000 0.185 267 N C 1.640 177.114 175.510 -0.060 0.000 1.016 267 N CA 0.661 53.689 53.050 -0.036 0.000 0.863 267 N CB -0.126 38.322 38.487 -0.065 0.000 0.983 267 N HN 0.340 nan 8.380 nan 0.000 0.429 268 R N 0.983 121.433 120.500 -0.083 0.000 2.237 268 R HA 0.014 4.367 4.340 0.022 0.000 0.219 268 R C 0.531 176.769 176.300 -0.104 0.000 1.080 268 R CA 0.796 56.825 56.100 -0.117 0.000 0.995 268 R CB 0.094 30.331 30.300 -0.106 0.000 0.875 268 R HN 0.174 nan 8.270 nan 0.000 0.462 269 K N 0.537 120.904 120.400 -0.055 0.000 2.646 269 K HA 0.221 4.554 4.320 0.022 0.000 0.206 269 K C 1.245 177.844 176.600 -0.002 0.000 1.069 269 K CA -0.096 56.173 56.287 -0.029 0.000 1.067 269 K CB 0.693 33.184 32.500 -0.014 0.000 0.807 269 K HN 0.114 nan 8.250 nan 0.000 0.482 270 L N 0.360 121.582 121.223 -0.001 0.000 2.313 270 L HA 0.057 4.411 4.340 0.022 0.000 0.214 270 L C 0.877 177.746 176.870 -0.001 0.000 1.119 270 L CA 0.453 55.321 54.840 0.047 0.000 0.809 270 L CB 0.123 42.246 42.059 0.107 0.000 0.933 270 L HN 0.080 nan 8.230 nan 0.000 0.449 271 A N -0.424 122.338 122.820 -0.097 0.000 2.566 271 A HA 0.687 5.020 4.320 0.022 0.000 0.292 271 A C -1.036 176.581 177.584 0.054 0.000 1.112 271 A CA -0.610 51.341 52.037 -0.144 0.000 0.707 271 A CB 1.606 20.198 19.000 -0.680 0.000 1.302 271 A HN -0.018 nan 8.150 nan 0.000 0.409 272 K N 0.295 120.711 120.400 0.026 0.000 2.443 272 K HA 0.516 4.849 4.320 0.022 0.000 0.252 272 K C -1.830 174.608 176.600 -0.271 0.000 0.933 272 K CA -0.639 55.586 56.287 -0.103 0.000 0.792 272 K CB 2.381 34.791 32.500 -0.149 0.000 1.185 272 K HN 0.481 nan 8.250 nan 0.000 0.425 273 L N 3.771 124.631 121.223 -0.605 0.000 2.275 273 L HA 0.409 4.762 4.340 0.022 0.000 0.288 273 L C -1.471 175.202 176.870 -0.329 0.000 1.046 273 L CA -0.068 54.459 54.840 -0.522 0.000 0.805 273 L CB 0.269 41.748 42.059 -0.968 0.000 1.193 273 L HN 0.462 nan 8.230 nan 0.000 0.426 274 Y N 3.661 124.008 120.300 0.077 0.000 2.487 274 Y HA 0.493 5.057 4.550 0.024 0.000 0.337 274 Y C -0.029 175.907 175.900 0.060 0.000 1.076 274 Y CA -0.646 57.514 58.100 0.101 0.000 1.115 274 Y CB 1.587 40.149 38.460 0.170 0.000 1.235 274 Y HN 0.423 nan 8.280 nan 0.000 0.468 275 K N 2.056 122.492 120.400 0.059 0.000 2.235 275 K HA 0.614 4.948 4.320 0.022 0.000 0.266 275 K C -1.780 174.693 176.600 -0.211 0.000 0.980 275 K CA -0.534 55.524 56.287 -0.383 0.000 0.849 275 K CB 1.110 33.389 32.500 -0.369 0.000 1.098 275 K HN 0.533 nan 8.250 nan 0.000 0.445 276 V N 3.103 122.847 119.914 -0.284 0.000 2.328 276 V HA 0.360 4.493 4.120 0.022 0.000 0.278 276 V C -0.443 175.559 176.094 -0.154 0.000 1.021 276 V CA -0.469 61.744 62.300 -0.145 0.000 0.838 276 V CB 1.026 32.796 31.823 -0.088 0.000 0.999 276 V HN 0.807 nan 8.190 nan 0.000 0.447 277 S N 3.694 119.335 115.700 -0.099 0.000 2.543 277 S HA 0.401 4.884 4.470 0.022 0.000 0.273 277 S C -0.187 174.393 174.600 -0.034 0.000 1.152 277 S CA -0.661 57.499 58.200 -0.067 0.000 0.910 277 S CB 1.506 64.660 63.200 -0.077 0.000 1.105 277 S HN 0.847 nan 8.310 nan 0.000 0.465 278 N N 2.744 121.432 118.700 -0.020 0.000 2.321 278 N HA 0.212 4.965 4.740 0.022 0.000 0.242 278 N C 1.315 176.824 175.510 -0.003 0.000 1.141 278 N CA 0.245 53.288 53.050 -0.011 0.000 0.864 278 N CB -0.068 38.413 38.487 -0.010 0.000 1.100 278 N HN 0.634 nan 8.380 nan 0.000 0.510 279 G N 0.419 109.219 108.800 0.000 0.000 2.442 279 G HA2 -0.174 3.800 3.960 0.022 0.000 0.219 279 G HA3 -0.174 3.800 3.960 0.022 0.000 0.219 279 G C 1.031 175.937 174.900 0.010 0.000 1.141 279 G CA 0.814 45.920 45.100 0.010 0.000 0.763 279 G HN 0.548 nan 8.290 nan 0.000 0.554 280 A N -0.638 122.186 122.820 0.007 0.000 2.532 280 A HA 0.572 4.905 4.320 0.022 0.000 0.273 280 A C 1.661 179.248 177.584 0.006 0.000 1.342 280 A CA 0.907 52.949 52.037 0.008 0.000 0.929 280 A CB -0.522 18.483 19.000 0.009 0.000 1.051 280 A HN 1.538 nan 8.150 nan 0.000 0.521 281 G N -1.301 107.501 108.800 0.004 0.000 2.784 281 G HA2 -0.192 3.781 3.960 0.022 0.000 0.204 281 G HA3 -0.192 3.781 3.960 0.022 0.000 0.204 281 G C 0.551 175.451 174.900 0.000 0.000 1.300 281 G CA 0.226 45.327 45.100 0.003 0.000 0.863 281 G HN 0.752 nan 8.290 nan 0.000 0.541 282 T N 2.600 117.155 114.554 0.000 0.000 2.945 282 T HA 0.619 4.982 4.350 0.022 0.000 0.286 282 T C 0.265 174.962 174.700 -0.005 0.000 1.025 282 T CA -0.417 61.682 62.100 -0.002 0.000 1.039 282 T CB 0.842 69.711 68.868 0.000 0.000 1.068 282 T HN 0.215 nan 8.240 nan 0.000 0.497 283 M N 3.714 123.309 119.600 -0.008 0.000 2.251 283 M HA 0.237 4.731 4.480 0.022 0.000 0.346 283 M C 0.091 176.384 176.300 -0.011 0.000 1.499 283 M CA 0.156 55.448 55.300 -0.013 0.000 1.128 283 M CB -0.212 32.378 32.600 -0.017 0.000 1.809 283 M HN 0.704 nan 8.290 nan 0.000 0.464 284 S N 4.246 119.939 115.700 -0.013 0.000 2.538 284 S HA 0.713 5.197 4.470 0.022 0.000 0.288 284 S C -0.995 173.605 174.600 -0.001 0.000 1.108 284 S CA -0.842 57.357 58.200 -0.002 0.000 0.971 284 S CB 1.867 65.071 63.200 0.006 0.000 1.041 284 S HN 0.365 nan 8.310 nan 0.000 0.483 285 V N 4.067 123.996 119.914 0.024 0.000 2.294 285 V HA 0.543 4.676 4.120 0.022 0.000 0.272 285 V C 0.196 176.374 176.094 0.140 0.000 1.027 285 V CA -0.508 61.828 62.300 0.060 0.000 0.823 285 V CB 0.335 32.182 31.823 0.039 0.000 1.030 285 V HN 0.985 nan 8.190 nan 0.000 0.457 286 S N 4.824 120.607 115.700 0.138 0.000 2.549 286 S HA 0.755 5.238 4.470 0.022 0.000 0.297 286 S C -0.719 173.976 174.600 0.159 0.000 1.115 286 S CA -0.783 57.495 58.200 0.130 0.000 1.059 286 S CB 2.111 65.344 63.200 0.055 0.000 1.046 286 S HN 0.495 nan 8.310 nan 0.000 0.506 287 L N 4.193 125.456 121.223 0.068 0.000 2.325 287 L HA 0.364 4.717 4.340 0.022 0.000 0.284 287 L C 0.635 177.427 176.870 -0.131 0.000 1.089 287 L CA 0.149 54.889 54.840 -0.167 0.000 0.836 287 L CB 0.402 42.345 42.059 -0.193 0.000 1.184 287 L HN 0.715 nan 8.230 nan 0.000 0.444 288 V N 4.669 124.491 119.914 -0.155 0.000 2.302 288 V HA 0.283 4.416 4.120 0.022 0.000 0.243 288 V C 0.945 176.967 176.094 -0.120 0.000 1.036 288 V CA 1.186 63.439 62.300 -0.078 0.000 1.020 288 V CB -0.626 31.198 31.823 0.001 0.000 0.657 288 V HN 0.890 nan 8.190 nan 0.000 0.453 289 A N 0.399 123.089 122.820 -0.216 0.000 2.549 289 A HA 0.599 4.932 4.320 0.022 0.000 0.297 289 A C -0.387 177.133 177.584 -0.107 0.000 1.061 289 A CA 0.116 52.081 52.037 -0.120 0.000 0.690 289 A CB 1.489 20.466 19.000 -0.038 0.000 1.287 289 A HN 0.346 nan 8.150 nan 0.000 0.402 290 D N 0.499 120.895 120.400 -0.008 0.000 2.433 290 D HA 0.104 4.757 4.640 0.022 0.000 0.211 290 D C 0.136 176.481 176.300 0.076 0.000 1.114 290 D CA 0.235 54.242 54.000 0.012 0.000 0.837 290 D CB 0.495 41.273 40.800 -0.035 0.000 0.984 290 D HN 0.540 nan 8.370 nan 0.000 0.505 291 E N 0.393 120.662 120.200 0.116 0.000 2.199 291 E HA 0.340 4.703 4.350 0.022 0.000 0.265 291 E C -1.000 175.515 176.600 -0.141 0.000 0.882 291 E CA -0.682 55.715 56.400 -0.005 0.000 0.759 291 E CB 1.194 30.878 29.700 -0.027 0.000 1.148 291 E HN 0.281 nan 8.360 nan 0.000 0.412 292 N N 2.703 121.116 118.700 -0.479 0.000 2.485 292 N HA 0.528 5.281 4.740 0.022 0.000 0.280 292 N C -2.645 172.613 175.510 -0.421 0.000 1.205 292 N CA -1.544 50.986 53.050 -0.867 0.000 0.959 292 N CB 1.150 38.859 38.487 -1.298 0.000 1.206 292 N HN 0.111 nan 8.380 nan 0.000 0.545 293 P HA 0.056 nan 4.420 nan 0.000 0.268 293 P C -0.974 176.075 177.300 -0.419 0.000 1.204 293 P CA 0.176 63.012 63.100 -0.440 0.000 0.768 293 P CB 0.198 31.772 31.700 -0.210 0.000 0.842 294 F N 1.108 120.831 119.950 -0.378 0.000 2.382 294 F HA 0.398 4.938 4.527 0.023 0.000 0.331 294 F C 1.320 177.046 175.800 -0.124 0.000 1.121 294 F CA -0.921 56.835 58.000 -0.407 0.000 1.183 294 F CB -0.097 38.386 39.000 -0.863 0.000 1.207 294 F HN 0.299 nan 8.300 nan 0.000 0.555 295 A N 1.980 124.914 122.820 0.190 0.000 2.454 295 A HA 0.137 4.470 4.320 0.022 0.000 0.260 295 A C 1.316 179.080 177.584 0.300 0.000 1.106 295 A CA -0.353 51.789 52.037 0.176 0.000 0.780 295 A CB 0.162 19.199 19.000 0.062 0.000 1.044 295 A HN 0.953 nan 8.150 nan 0.000 0.498 296 Q N 2.901 122.827 119.800 0.210 0.000 2.124 296 Q HA -0.149 4.205 4.340 0.022 0.000 0.202 296 Q C 1.717 177.558 176.000 -0.265 0.000 0.977 296 Q CA 1.884 57.598 55.803 -0.148 0.000 0.850 296 Q CB -0.332 28.078 28.738 -0.547 0.000 0.901 296 Q HN 0.937 nan 8.270 nan 0.000 0.429 297 G N -0.119 108.580 108.800 -0.169 0.000 2.535 297 G HA2 -0.159 3.814 3.960 0.022 0.000 0.218 297 G HA3 -0.159 3.814 3.960 0.022 0.000 0.218 297 G C 1.309 176.112 174.900 -0.163 0.000 1.122 297 G CA 0.653 45.656 45.100 -0.163 0.000 0.769 297 G HN 0.480 nan 8.290 nan 0.000 0.549 298 A N 0.236 122.961 122.820 -0.158 0.000 1.969 298 A HA 0.201 4.534 4.320 0.022 0.000 0.218 298 A C 1.133 178.383 177.584 -0.556 0.000 1.169 298 A CA 0.432 52.343 52.037 -0.210 0.000 0.635 298 A CB -0.145 18.778 19.000 -0.128 0.000 0.810 298 A HN 0.227 nan 8.150 nan 0.000 0.445 299 L N 2.115 122.886 121.223 -0.753 0.000 2.505 299 L HA 0.116 4.470 4.340 0.022 0.000 0.279 299 L C 0.129 176.591 176.870 -0.680 0.000 1.211 299 L CA 0.342 54.395 54.840 -1.312 0.000 1.059 299 L CB -0.760 40.380 42.059 -1.532 0.000 1.340 299 L HN 0.191 nan 8.230 nan 0.000 0.447 300 K N 1.247 121.441 120.400 -0.343 0.000 2.218 300 K HA 0.212 4.545 4.320 0.022 0.000 0.276 300 K C 1.176 178.011 176.600 0.391 0.000 1.022 300 K CA -0.210 56.145 56.287 0.113 0.000 0.946 300 K CB 1.319 33.948 32.500 0.214 0.000 1.000 300 K HN 0.302 nan 8.250 nan 0.000 0.468 301 S N 2.313 118.200 115.700 0.311 0.000 2.419 301 S HA -0.127 4.356 4.470 0.022 0.000 0.233 301 S C 1.138 175.892 174.600 0.257 0.000 1.016 301 S CA 1.362 59.751 58.200 0.316 0.000 0.974 301 S CB 0.014 63.318 63.200 0.173 0.000 0.786 301 S HN 0.525 nan 8.310 nan 0.000 0.492 302 E N 1.035 121.374 120.200 0.232 0.000 2.358 302 E HA 0.067 4.430 4.350 0.022 0.000 0.195 302 E C 0.128 176.832 176.600 0.173 0.000 1.010 302 E CA 0.596 57.093 56.400 0.162 0.000 0.856 302 E CB 0.078 29.851 29.700 0.122 0.000 0.795 302 E HN 0.413 nan 8.360 nan 0.000 0.504 303 D N -1.195 119.381 120.400 0.294 0.000 2.553 303 D HA 0.313 4.966 4.640 0.022 0.000 0.249 303 D C -0.629 175.854 176.300 0.305 0.000 1.062 303 D CA -0.736 53.383 54.000 0.199 0.000 1.085 303 D CB 1.240 42.058 40.800 0.030 0.000 1.350 303 D HN -0.054 nan 8.370 nan 0.000 0.575 304 C N 0.421 119.776 119.300 0.092 0.000 2.365 304 C HA 0.678 5.152 4.460 0.022 0.000 0.349 304 C C -0.530 174.476 174.990 0.027 0.000 1.191 304 C CA -0.457 58.686 59.018 0.208 0.000 2.114 304 C CB -0.208 27.585 27.740 0.087 0.000 2.367 304 C HN 0.354 nan 8.230 nan 0.000 0.530 305 F N 1.363 121.550 119.950 0.395 0.000 2.588 305 F HA 0.716 5.256 4.527 0.022 0.000 0.314 305 F C -0.046 175.968 175.800 0.357 0.000 1.069 305 F CA -0.784 57.419 58.000 0.339 0.000 0.931 305 F CB 1.078 40.252 39.000 0.289 0.000 1.260 305 F HN 0.234 nan 8.300 nan 0.000 0.465 306 I N 3.686 124.560 120.570 0.506 0.000 2.447 306 I HA 0.287 4.471 4.170 0.022 0.000 0.287 306 I C -1.541 174.883 176.117 0.510 0.000 1.023 306 I CA -0.831 60.751 61.300 0.470 0.000 1.083 306 I CB 1.862 40.066 38.000 0.340 0.000 1.245 306 I HN 0.228 nan 8.210 nan 0.000 0.434 307 L N 6.489 128.047 121.223 0.558 0.000 2.262 307 L HA 0.470 4.823 4.340 0.022 0.000 0.288 307 L C -0.798 176.347 176.870 0.458 0.000 1.035 307 L CA 0.039 55.141 54.840 0.437 0.000 0.820 307 L CB 0.969 43.344 42.059 0.526 0.000 1.204 307 L HN 0.512 nan 8.230 nan 0.000 0.424 308 D N 3.656 124.252 120.400 0.325 0.000 2.317 308 D HA 0.218 4.871 4.640 0.022 0.000 0.234 308 D C -0.741 175.657 176.300 0.163 0.000 1.112 308 D CA 0.178 54.352 54.000 0.290 0.000 0.840 308 D CB 0.475 41.486 40.800 0.352 0.000 1.078 308 D HN 0.526 nan 8.370 nan 0.000 0.486 309 H N 2.213 121.267 119.070 -0.026 0.000 2.712 309 H HA 0.382 4.951 4.556 0.022 0.000 0.226 309 H C 0.916 176.102 175.328 -0.238 0.000 1.422 309 H CA -0.272 55.730 56.048 -0.076 0.000 1.270 309 H CB 0.346 30.168 29.762 0.099 0.000 1.891 309 H HN 0.468 nan 8.280 nan 0.000 0.518 310 G N 0.728 109.159 108.800 -0.616 0.000 2.408 310 G HA2 -0.163 3.810 3.960 0.022 0.000 0.215 310 G HA3 -0.163 3.810 3.960 0.022 0.000 0.215 310 G C 1.601 175.959 174.900 -0.903 0.000 1.156 310 G CA 0.330 44.690 45.100 -1.234 0.000 0.793 310 G HN 0.340 nan 8.290 nan 0.000 0.535 311 K N 1.494 121.534 120.400 -0.600 0.000 2.127 311 K HA -0.156 4.178 4.320 0.022 0.000 0.208 311 K C 1.401 177.890 176.600 -0.185 0.000 1.047 311 K CA 1.674 57.881 56.287 -0.132 0.000 0.927 311 K CB -0.877 31.636 32.500 0.022 0.000 0.716 311 K HN 0.333 nan 8.250 nan 0.000 0.450 312 D N -0.067 120.095 120.400 -0.397 0.000 2.340 312 D HA 0.125 4.778 4.640 0.022 0.000 0.220 312 D C 0.474 176.626 176.300 -0.248 0.000 1.039 312 D CA 0.861 54.630 54.000 -0.384 0.000 0.866 312 D CB -0.001 40.313 40.800 -0.809 0.000 0.913 312 D HN 0.471 nan 8.370 nan 0.000 0.523 313 G N 1.174 109.826 108.800 -0.247 0.000 2.176 313 G HA2 -0.279 3.695 3.960 0.022 0.000 0.252 313 G HA3 -0.279 3.695 3.960 0.022 0.000 0.252 313 G C -0.183 174.627 174.900 -0.150 0.000 1.024 313 G CA 0.212 45.222 45.100 -0.151 0.000 0.755 313 G HN 0.392 nan 8.290 nan 0.000 0.507 314 K N -0.292 119.980 120.400 -0.212 0.000 2.578 314 K HA 0.642 4.976 4.320 0.022 0.000 0.250 314 K C -0.608 175.804 176.600 -0.313 0.000 0.955 314 K CA -0.772 55.351 56.287 -0.272 0.000 0.825 314 K CB 2.184 34.564 32.500 -0.199 0.000 1.151 314 K HN 0.183 nan 8.250 nan 0.000 0.432 315 I N 3.148 123.515 120.570 -0.338 0.000 2.465 315 I HA 0.410 4.593 4.170 0.022 0.000 0.291 315 I C -0.922 175.053 176.117 -0.237 0.000 1.014 315 I CA -0.918 60.302 61.300 -0.133 0.000 1.093 315 I CB 1.078 39.116 38.000 0.064 0.000 1.267 315 I HN 0.393 nan 8.210 nan 0.000 0.431 316 F N 5.340 125.453 119.950 0.272 0.000 2.427 316 F HA 0.485 5.025 4.527 0.023 0.000 0.346 316 F C 0.047 176.004 175.800 0.262 0.000 1.120 316 F CA -0.972 57.192 58.000 0.274 0.000 1.033 316 F CB 1.547 40.821 39.000 0.456 0.000 1.126 316 F HN -0.007 nan 8.300 nan 0.000 0.462 317 V N 3.029 123.133 119.914 0.316 0.000 2.364 317 V HA 0.120 4.254 4.120 0.022 0.000 0.272 317 V C -0.953 175.305 176.094 0.273 0.000 1.036 317 V CA -0.839 61.616 62.300 0.259 0.000 0.880 317 V CB 0.921 32.815 31.823 0.119 0.000 0.991 317 V HN 0.784 nan 8.190 nan 0.000 0.460 318 W N 6.413 127.814 121.300 0.167 0.000 2.376 318 W HA 0.494 5.168 4.660 0.024 0.000 0.312 318 W C -0.009 176.605 176.519 0.159 0.000 1.060 318 W CA -0.749 56.662 57.345 0.111 0.000 1.221 318 W CB 1.103 30.675 29.460 0.187 0.000 1.281 318 W HN 0.389 nan 8.180 nan 0.000 0.456 319 K N 5.494 125.658 120.400 -0.393 0.000 2.316 319 K HA 0.394 4.727 4.320 0.022 0.000 0.267 319 K C 0.367 176.544 176.600 -0.705 0.000 1.025 319 K CA -0.772 55.321 56.287 -0.324 0.000 0.896 319 K CB 1.396 33.761 32.500 -0.226 0.000 1.124 319 K HN 0.700 nan 8.250 nan 0.000 0.451 320 G N 2.080 110.632 108.800 -0.413 0.000 2.441 320 G HA2 -0.074 3.899 3.960 0.022 0.000 0.243 320 G HA3 -0.074 3.899 3.960 0.022 0.000 0.243 320 G C 0.879 175.667 174.900 -0.187 0.000 1.281 320 G CA -0.484 44.418 45.100 -0.329 0.000 0.854 320 G HN 0.731 nan 8.290 nan 0.000 0.560 321 K N 0.481 120.786 120.400 -0.158 0.000 2.519 321 K HA -0.113 4.220 4.320 0.022 0.000 0.196 321 K C 1.397 177.973 176.600 -0.040 0.000 1.041 321 K CA 1.337 57.565 56.287 -0.099 0.000 0.954 321 K CB 0.189 32.645 32.500 -0.073 0.000 0.774 321 K HN 0.512 nan 8.250 nan 0.000 0.480 322 Q N 0.199 119.997 119.800 -0.002 0.000 2.171 322 Q HA 0.303 4.657 4.340 0.022 0.000 0.218 322 Q C -0.496 175.521 176.000 0.027 0.000 0.822 322 Q CA -0.349 55.464 55.803 0.018 0.000 0.987 322 Q CB 1.378 30.140 28.738 0.039 0.000 1.144 322 Q HN 0.407 nan 8.270 nan 0.000 0.494 323 A N 1.827 124.661 122.820 0.024 0.000 2.511 323 A HA 0.204 4.537 4.320 0.022 0.000 0.242 323 A C 0.103 177.689 177.584 0.005 0.000 1.069 323 A CA -0.409 51.645 52.037 0.029 0.000 0.763 323 A CB -0.108 18.910 19.000 0.029 0.000 1.001 323 A HN 0.515 nan 8.150 nan 0.000 0.498 324 N N 0.881 119.585 118.700 0.006 0.000 2.424 324 N HA 0.158 4.912 4.740 0.022 0.000 0.257 324 N C 0.883 176.386 175.510 -0.011 0.000 1.250 324 N CA 0.297 53.345 53.050 -0.003 0.000 0.946 324 N CB 0.345 38.832 38.487 -0.001 0.000 1.175 324 N HN 0.462 nan 8.380 nan 0.000 0.477 325 T N -0.798 113.747 114.554 -0.014 0.000 2.788 325 T HA -0.131 4.233 4.350 0.022 0.000 0.268 325 T C 1.046 175.735 174.700 -0.018 0.000 1.044 325 T CA 1.463 63.552 62.100 -0.018 0.000 1.139 325 T CB -0.426 68.431 68.868 -0.018 0.000 0.867 325 T HN 0.559 nan 8.240 nan 0.000 0.454 326 E N 1.129 121.319 120.200 -0.016 0.000 2.110 326 E HA -0.069 4.294 4.350 0.022 0.000 0.193 326 E C 2.258 178.845 176.600 -0.021 0.000 0.988 326 E CA 1.265 57.654 56.400 -0.018 0.000 0.804 326 E CB -0.232 29.458 29.700 -0.015 0.000 0.745 326 E HN 0.690 nan 8.360 nan 0.000 0.458 327 E N 0.142 120.331 120.200 -0.018 0.000 2.077 327 E HA -0.170 4.193 4.350 0.022 0.000 0.193 327 E C 2.157 178.745 176.600 -0.021 0.000 0.989 327 E CA 0.924 57.312 56.400 -0.021 0.000 0.800 327 E CB -0.088 29.604 29.700 -0.012 0.000 0.746 327 E HN 0.148 nan 8.360 nan 0.000 0.452 328 R N 0.999 121.487 120.500 -0.019 0.000 2.073 328 R HA -0.087 4.266 4.340 0.022 0.000 0.234 328 R C 2.335 178.618 176.300 -0.028 0.000 1.134 328 R CA 1.299 57.386 56.100 -0.022 0.000 0.952 328 R CB -0.104 30.179 30.300 -0.029 0.000 0.850 328 R HN 0.035 nan 8.270 nan 0.000 0.433 329 K N 0.367 120.749 120.400 -0.029 0.000 2.103 329 K HA -0.099 4.234 4.320 0.022 0.000 0.207 329 K C 2.175 178.750 176.600 -0.042 0.000 1.048 329 K CA 1.463 57.730 56.287 -0.032 0.000 0.930 329 K CB -0.200 32.283 32.500 -0.028 0.000 0.716 329 K HN 0.178 nan 8.250 nan 0.000 0.444 330 A N 1.874 124.667 122.820 -0.045 0.000 1.872 330 A HA -0.016 4.317 4.320 0.022 0.000 0.214 330 A C 2.502 180.036 177.584 -0.083 0.000 1.187 330 A CA 1.627 53.629 52.037 -0.059 0.000 0.614 330 A CB -0.691 18.277 19.000 -0.052 0.000 0.826 330 A HN 0.302 nan 8.150 nan 0.000 0.442 331 A N -0.442 122.337 122.820 -0.069 0.000 1.948 331 A HA -0.106 4.227 4.320 0.022 0.000 0.220 331 A C 2.121 179.649 177.584 -0.095 0.000 1.177 331 A CA 1.724 53.715 52.037 -0.076 0.000 0.636 331 A CB -0.565 18.426 19.000 -0.016 0.000 0.815 331 A HN 0.429 nan 8.150 nan 0.000 0.449 332 L N -0.303 120.879 121.223 -0.067 0.000 1.989 332 L HA -0.159 4.194 4.340 0.022 0.000 0.211 332 L C 2.377 179.189 176.870 -0.098 0.000 1.071 332 L CA 2.085 56.886 54.840 -0.065 0.000 0.749 332 L CB -1.007 41.026 42.059 -0.043 0.000 0.890 332 L HN 0.350 nan 8.230 nan 0.000 0.431 333 K N -0.740 119.602 120.400 -0.097 0.000 2.009 333 K HA -0.165 4.168 4.320 0.022 0.000 0.210 333 K C 1.867 178.358 176.600 -0.181 0.000 1.049 333 K CA 2.066 58.289 56.287 -0.107 0.000 0.929 333 K CB -0.469 31.981 32.500 -0.083 0.000 0.714 333 K HN 0.414 nan 8.250 nan 0.000 0.440 334 T N 1.201 115.606 114.554 -0.249 0.000 2.720 334 T HA -0.155 4.209 4.350 0.022 0.000 0.268 334 T C 1.989 176.205 174.700 -0.807 0.000 1.037 334 T CA 1.512 63.344 62.100 -0.446 0.000 1.144 334 T CB -0.249 68.364 68.868 -0.426 0.000 0.864 334 T HN 0.329 nan 8.240 nan 0.000 0.444 335 A N 1.955 124.428 122.820 -0.578 0.000 1.873 335 A HA -0.088 4.246 4.320 0.022 0.000 0.215 335 A C 2.630 180.081 177.584 -0.221 0.000 1.186 335 A CA 2.135 53.886 52.037 -0.477 0.000 0.616 335 A CB -0.960 17.935 19.000 -0.174 0.000 0.823 335 A HN 0.594 nan 8.150 nan 0.000 0.442 336 S N -0.175 115.441 115.700 -0.140 0.000 2.428 336 S HA -0.146 4.338 4.470 0.022 0.000 0.230 336 S C 1.369 175.962 174.600 -0.012 0.000 1.014 336 S CA 1.451 59.627 58.200 -0.041 0.000 0.957 336 S CB -0.478 62.701 63.200 -0.035 0.000 0.784 336 S HN 0.445 nan 8.310 nan 0.000 0.499 337 D N 1.255 121.614 120.400 -0.068 0.000 2.097 337 D HA -0.015 4.638 4.640 0.022 0.000 0.195 337 D C 1.520 177.899 176.300 0.132 0.000 0.989 337 D CA 0.861 54.858 54.000 -0.005 0.000 0.827 337 D CB -0.528 40.242 40.800 -0.050 0.000 0.966 337 D HN 0.335 nan 8.370 nan 0.000 0.456 338 F N 0.886 120.835 119.950 -0.002 0.000 2.141 338 F HA -0.200 4.342 4.527 0.025 0.000 0.300 338 F C 2.304 178.118 175.800 0.023 0.000 1.079 338 F CA 0.410 58.424 58.000 0.023 0.000 1.264 338 F CB -1.078 38.003 39.000 0.135 0.000 1.011 338 F HN 0.055 nan 8.300 nan 0.000 0.487 339 I N -0.303 120.446 120.570 0.298 0.000 2.163 339 I HA -0.349 3.834 4.170 0.022 0.000 0.243 339 I C 2.452 178.608 176.117 0.064 0.000 1.085 339 I CA 2.130 63.572 61.300 0.237 0.000 1.347 339 I CB -0.848 37.259 38.000 0.178 0.000 1.044 339 I HN 0.208 nan 8.210 nan 0.000 0.408 340 T N -1.779 112.798 114.554 0.038 0.000 2.937 340 T HA -0.083 4.280 4.350 0.022 0.000 0.260 340 T C 1.844 176.513 174.700 -0.051 0.000 1.051 340 T CA 0.711 62.807 62.100 -0.006 0.000 1.141 340 T CB -0.156 68.716 68.868 0.006 0.000 0.879 340 T HN 0.019 nan 8.240 nan 0.000 0.459 341 K N 1.194 121.572 120.400 -0.037 0.000 2.032 341 K HA 0.109 4.442 4.320 0.022 0.000 0.209 341 K C 1.840 178.340 176.600 -0.168 0.000 1.048 341 K CA 1.518 57.769 56.287 -0.060 0.000 0.927 341 K CB -0.466 32.045 32.500 0.019 0.000 0.712 341 K HN 0.328 nan 8.250 nan 0.000 0.441 342 M N 0.364 119.755 119.600 -0.348 0.000 2.431 342 M HA 0.093 4.586 4.480 0.022 0.000 0.237 342 M C -0.575 175.384 176.300 -0.568 0.000 1.130 342 M CA 0.161 55.127 55.300 -0.557 0.000 1.002 342 M CB 0.427 32.462 32.600 -0.942 0.000 1.524 342 M HN 0.158 nan 8.290 nan 0.000 0.482 343 D N 0.381 120.574 120.400 -0.344 0.000 2.737 343 D HA -0.251 4.402 4.640 0.022 0.000 0.238 343 D C -1.050 175.188 176.300 -0.102 0.000 1.157 343 D CA 0.660 54.561 54.000 -0.165 0.000 0.694 343 D CB -0.862 39.880 40.800 -0.096 0.000 1.021 343 D HN 0.479 nan 8.370 nan 0.000 0.420 344 Y N -0.546 119.763 120.300 0.016 0.000 2.298 344 Y HA 0.422 4.985 4.550 0.021 0.000 0.329 344 Y C -1.219 174.687 175.900 0.010 0.000 1.293 344 Y CA -2.597 55.511 58.100 0.013 0.000 1.388 344 Y CB 0.483 38.957 38.460 0.023 0.000 1.309 344 Y HN 0.030 nan 8.280 nan 0.000 0.544 345 P HA -0.057 nan 4.420 nan 0.000 0.262 345 P C -1.021 176.329 177.300 0.083 0.000 1.199 345 P CA -0.055 63.101 63.100 0.094 0.000 0.763 345 P CB 0.188 31.920 31.700 0.053 0.000 0.790 346 K N 3.630 124.066 120.400 0.060 0.000 2.485 346 K HA -0.013 4.321 4.320 0.022 0.000 0.277 346 K C 0.118 176.739 176.600 0.034 0.000 0.990 346 K CA -0.038 56.277 56.287 0.047 0.000 0.994 346 K CB 0.167 32.687 32.500 0.033 0.000 0.906 346 K HN 0.312 nan 8.250 nan 0.000 0.488 347 Q N -0.649 119.168 119.800 0.029 0.000 2.464 347 Q HA -0.127 4.226 4.340 0.022 0.000 0.246 347 Q C -0.857 175.150 176.000 0.012 0.000 0.763 347 Q CA 1.293 57.106 55.803 0.017 0.000 1.233 347 Q CB -2.535 26.209 28.738 0.011 0.000 1.361 347 Q HN 0.941 nan 8.270 nan 0.000 0.699 348 T N 1.730 116.298 114.554 0.024 0.000 2.928 348 T HA 0.188 4.551 4.350 0.022 0.000 0.305 348 T C 0.461 175.155 174.700 -0.011 0.000 1.035 348 T CA 0.261 62.364 62.100 0.004 0.000 1.145 348 T CB 0.732 69.625 68.868 0.042 0.000 0.963 348 T HN 0.057 nan 8.240 nan 0.000 0.545 349 Q N 2.471 122.243 119.800 -0.047 0.000 2.303 349 Q HA 0.415 4.769 4.340 0.022 0.000 0.257 349 Q C -0.941 175.000 176.000 -0.099 0.000 0.941 349 Q CA -0.350 55.419 55.803 -0.056 0.000 0.931 349 Q CB 1.004 29.712 28.738 -0.051 0.000 1.215 349 Q HN 0.496 nan 8.270 nan 0.000 0.437 350 V N 2.907 122.784 119.914 -0.061 0.000 2.385 350 V HA 0.440 4.573 4.120 0.022 0.000 0.269 350 V C -0.324 175.739 176.094 -0.052 0.000 1.043 350 V CA -0.647 61.615 62.300 -0.064 0.000 0.906 350 V CB 0.954 32.762 31.823 -0.025 0.000 0.995 350 V HN 0.757 nan 8.190 nan 0.000 0.467 351 S N 3.980 119.638 115.700 -0.070 0.000 2.489 351 S HA 0.663 5.146 4.470 0.022 0.000 0.291 351 S C -0.138 174.504 174.600 0.069 0.000 1.151 351 S CA -0.749 57.460 58.200 0.016 0.000 1.082 351 S CB 1.836 65.084 63.200 0.081 0.000 1.019 351 S HN 0.905 nan 8.310 nan 0.000 0.492 352 V N 1.829 121.768 119.914 0.043 0.000 2.370 352 V HA 0.646 4.780 4.120 0.022 0.000 0.279 352 V C -0.819 175.271 176.094 -0.007 0.000 1.029 352 V CA -0.725 61.590 62.300 0.025 0.000 0.870 352 V CB 0.349 32.169 31.823 -0.005 0.000 0.984 352 V HN 0.785 nan 8.190 nan 0.000 0.451 353 L N 7.292 128.489 121.223 -0.043 0.000 2.313 353 L HA 0.626 4.979 4.340 0.022 0.000 0.283 353 L C -2.380 174.319 176.870 -0.285 0.000 1.013 353 L CA -1.868 52.887 54.840 -0.141 0.000 0.816 353 L CB 2.388 44.325 42.059 -0.203 0.000 1.236 353 L HN 0.447 nan 8.230 nan 0.000 0.419 354 P HA 0.091 nan 4.420 nan 0.000 0.284 354 P C -0.570 176.469 177.300 -0.436 0.000 1.253 354 P CA -0.539 62.349 63.100 -0.353 0.000 0.800 354 P CB 1.006 32.585 31.700 -0.201 0.000 0.961 355 E N 1.649 121.452 120.200 -0.662 0.000 2.820 355 E HA 0.046 4.409 4.350 0.022 0.000 0.251 355 E C 1.061 177.620 176.600 -0.069 0.000 0.944 355 E CA 1.251 57.407 56.400 -0.406 0.000 0.955 355 E CB -0.801 28.676 29.700 -0.373 0.000 0.904 355 E HN 0.821 nan 8.360 nan 0.000 0.513 356 G N 2.897 111.767 108.800 0.117 0.000 2.195 356 G HA2 -0.253 3.721 3.960 0.022 0.000 0.246 356 G HA3 -0.253 3.721 3.960 0.022 0.000 0.246 356 G C 0.583 175.523 174.900 0.067 0.000 0.984 356 G CA 0.051 45.220 45.100 0.115 0.000 0.633 356 G HN 0.828 nan 8.290 nan 0.000 0.525 357 G N 0.205 109.009 108.800 0.006 0.000 3.820 357 G HA2 0.530 4.504 3.960 0.022 0.000 0.293 357 G HA3 0.530 4.504 3.960 0.022 0.000 0.293 357 G C 0.095 174.967 174.900 -0.046 0.000 1.152 357 G CA 0.071 45.155 45.100 -0.025 0.000 0.921 357 G HN 0.438 nan 8.290 nan 0.000 0.544 358 E N 1.557 121.742 120.200 -0.025 0.000 2.376 358 E HA 0.351 4.714 4.350 0.022 0.000 0.266 358 E C 0.898 177.411 176.600 -0.144 0.000 1.009 358 E CA 0.127 56.443 56.400 -0.141 0.000 0.902 358 E CB 0.866 30.461 29.700 -0.176 0.000 0.972 358 E HN 0.310 nan 8.360 nan 0.000 0.439 359 T N 0.203 114.683 114.554 -0.124 0.000 2.902 359 T HA 0.308 4.671 4.350 0.022 0.000 0.280 359 T C -1.932 172.721 174.700 -0.077 0.000 0.992 359 T CA -1.975 60.095 62.100 -0.050 0.000 1.015 359 T CB 1.389 70.293 68.868 0.060 0.000 1.044 359 T HN 0.120 nan 8.240 nan 0.000 0.520 360 P HA 0.120 nan 4.420 nan 0.000 0.219 360 P C 1.342 178.564 177.300 -0.129 0.000 1.150 360 P CA 0.632 63.656 63.100 -0.126 0.000 0.814 360 P CB -0.073 31.559 31.700 -0.113 0.000 0.787 361 L N -2.771 118.423 121.223 -0.049 0.000 2.610 361 L HA 0.016 4.369 4.340 0.022 0.000 0.232 361 L C 1.884 178.767 176.870 0.022 0.000 1.149 361 L CA 0.571 55.420 54.840 0.016 0.000 0.872 361 L CB -0.494 41.679 42.059 0.190 0.000 0.992 361 L HN -0.027 nan 8.230 nan 0.000 0.447 362 F N 0.353 120.067 119.950 -0.394 0.000 2.399 362 F HA 0.046 4.588 4.527 0.024 0.000 0.282 362 F C 2.218 177.933 175.800 -0.143 0.000 1.027 362 F CA 0.596 58.241 58.000 -0.591 0.000 1.333 362 F CB 0.183 38.667 39.000 -0.860 0.000 1.132 362 F HN -0.248 nan 8.300 nan 0.000 0.590 363 K N 0.767 121.068 120.400 -0.166 0.000 2.281 363 K HA -0.234 4.100 4.320 0.022 0.000 0.203 363 K C 1.938 178.457 176.600 -0.136 0.000 1.046 363 K CA 1.652 57.728 56.287 -0.352 0.000 0.938 363 K CB -0.361 31.733 32.500 -0.676 0.000 0.737 363 K HN 0.581 nan 8.250 nan 0.000 0.458 364 Q N -0.122 119.545 119.800 -0.222 0.000 2.291 364 Q HA -0.135 4.218 4.340 0.022 0.000 0.206 364 Q C 1.140 176.886 176.000 -0.423 0.000 0.976 364 Q CA 1.401 57.007 55.803 -0.330 0.000 0.875 364 Q CB -0.260 28.190 28.738 -0.480 0.000 0.927 364 Q HN 0.300 nan 8.270 nan 0.000 0.450 365 F N -0.364 119.435 119.950 -0.252 0.000 2.797 365 F HA 0.273 4.813 4.527 0.022 0.000 0.302 365 F C 0.005 175.431 175.800 -0.623 0.000 1.130 365 F CA -0.357 57.344 58.000 -0.498 0.000 1.387 365 F CB 0.448 39.097 39.000 -0.586 0.000 1.107 365 F HN -0.058 nan 8.300 nan 0.000 0.577 366 F N 0.220 120.135 119.950 -0.059 0.000 2.470 366 F HA 0.362 4.902 4.527 0.022 0.000 0.329 366 F C 0.360 176.176 175.800 0.026 0.000 1.072 366 F CA -1.426 56.607 58.000 0.055 0.000 0.989 366 F CB 0.918 40.090 39.000 0.288 0.000 1.193 366 F HN -0.425 nan 8.300 nan 0.000 0.481 367 K N 1.610 122.128 120.400 0.197 0.000 2.297 367 K HA 0.205 4.538 4.320 0.022 0.000 0.286 367 K C -0.434 176.249 176.600 0.139 0.000 1.053 367 K CA -0.180 56.169 56.287 0.103 0.000 0.940 367 K CB -0.045 32.477 32.500 0.038 0.000 1.019 367 K HN 0.748 nan 8.250 nan 0.000 0.475 368 N N 3.071 121.838 118.700 0.112 0.000 2.650 368 N HA -0.237 4.516 4.740 0.022 0.000 0.272 368 N C -0.983 174.605 175.510 0.131 0.000 1.058 368 N CA 0.513 53.622 53.050 0.099 0.000 0.765 368 N CB -0.333 38.179 38.487 0.042 0.000 0.902 368 N HN 0.552 nan 8.380 nan 0.000 0.551 369 W N 1.758 123.060 121.300 0.004 0.000 2.193 369 W HA 0.216 4.889 4.660 0.022 0.000 0.338 369 W C 0.209 176.714 176.519 -0.024 0.000 1.310 369 W CA 0.118 57.451 57.345 -0.020 0.000 1.243 369 W CB 0.462 29.905 29.460 -0.028 0.000 1.165 369 W HN 0.280 nan 8.180 nan 0.000 0.566 370 R N 4.035 124.300 120.500 -0.391 0.000 2.575 370 R HA 0.133 4.486 4.340 0.022 0.000 0.293 370 R C -1.137 174.983 176.300 -0.301 0.000 0.983 370 R CA -0.539 55.440 56.100 -0.203 0.000 0.887 370 R CB 1.620 31.811 30.300 -0.182 0.000 1.184 370 R HN 0.360 nan 8.270 nan 0.000 0.445 371 D N 4.568 124.967 120.400 -0.002 0.000 2.420 371 D HA 0.241 4.895 4.640 0.022 0.000 0.255 371 D C -1.431 174.892 176.300 0.038 0.000 1.185 371 D CA -1.357 52.678 54.000 0.059 0.000 0.904 371 D CB 0.797 41.779 40.800 0.303 0.000 1.102 371 D HN 0.248 nan 8.370 nan 0.000 0.534 372 P HA 0.000 nan 4.420 nan 0.000 0.216 372 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 372 P CB 0.000 31.692 31.700 -0.013 0.000 0.726