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 3nu8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIEFIDLKNQ QARIKDKIDA GIQRVLRHGQ YILGPEVTEL EDRLADFVGA DATA SEQUENCE KYCISCANGT DALQIVQMAL GVGPGDEVIT PGFTYVATAE TVALLGAKPV DATA SEQUENCE YVDIDPRTYN LDPQLLEAAI TPRTKAIIPV SLYGQCADFD AINAIASKYG DATA SEQUENCE IPVIEDAAQS FGASYKGKRS CNLSTVACTS FFPSXPLGCY GDGGAIFTND DATA SEQUENCE DELATAIRQI ARHGQDRRYH HIRVGVNSRL DTLQAAILLP KLEIFEEEIA DATA SEQUENCE LRQKVAAEYD LSLKQVGIGT PFIEVNNISV YAQYTVRMDN RESVQASLKA DATA SEQUENCE AGVPTAVHYP IPLNKQPAVA DEKAKLPVGD KAATQVMSLP MHPYLDTASI DATA SEQUENCE KIICAALTN 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 I N 4.262 124.879 120.570 0.080 0.000 2.297 2 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 2 I C -0.072 176.131 176.117 0.143 0.000 1.033 2 I CA -0.361 61.009 61.300 0.118 0.000 1.253 2 I CB 1.092 39.156 38.000 0.107 0.000 1.396 2 I HN 0.618 nan 8.210 nan 0.000 0.476 3 E N 4.266 124.570 120.200 0.173 0.000 2.242 3 E HA 0.181 4.531 4.350 -0.000 0.000 0.275 3 E C 0.219 176.980 176.600 0.268 0.000 1.002 3 E CA -0.571 55.931 56.400 0.170 0.000 0.841 3 E CB 1.868 31.608 29.700 0.067 0.000 1.109 3 E HN 0.500 nan 8.360 nan 0.000 0.394 4 F N 2.193 122.224 119.950 0.135 0.000 2.075 4 F HA 0.033 4.560 4.527 -0.000 0.000 0.297 4 F C 0.580 176.526 175.800 0.243 0.000 1.113 4 F CA 1.354 59.458 58.000 0.172 0.000 1.218 4 F CB 0.365 39.442 39.000 0.128 0.000 0.984 4 F HN 0.310 nan 8.300 nan 0.000 0.472 5 I N 0.240 120.937 120.570 0.213 0.000 2.545 5 I HA 0.138 4.308 4.170 -0.000 0.000 0.292 5 I C -0.876 175.182 176.117 -0.097 0.000 1.040 5 I CA -1.151 60.192 61.300 0.072 0.000 1.068 5 I CB 1.581 39.668 38.000 0.144 0.000 1.251 5 I HN -0.135 nan 8.210 nan 0.000 0.424 6 D N 5.192 125.360 120.400 -0.387 0.000 2.525 6 D HA -0.017 4.623 4.640 -0.000 0.000 0.235 6 D C 0.255 176.478 176.300 -0.128 0.000 1.137 6 D CA 0.724 54.485 54.000 -0.399 0.000 0.868 6 D CB 0.914 41.513 40.800 -0.335 0.000 1.180 6 D HN 0.337 nan 8.370 nan 0.000 0.465 7 L N 2.893 124.050 121.223 -0.110 0.000 2.993 7 L HA 0.122 4.462 4.340 -0.000 0.000 0.264 7 L C 1.450 178.274 176.870 -0.077 0.000 1.154 7 L CA 0.404 55.201 54.840 -0.072 0.000 0.972 7 L CB -0.047 41.978 42.059 -0.057 0.000 1.373 7 L HN 0.621 nan 8.230 nan 0.000 0.564 8 K N -2.335 118.012 120.400 -0.088 0.000 2.462 8 K HA 0.162 4.482 4.320 -0.000 0.000 0.201 8 K C 1.145 177.668 176.600 -0.128 0.000 1.268 8 K CA -0.221 56.014 56.287 -0.088 0.000 0.933 8 K CB 0.334 32.794 32.500 -0.067 0.000 1.162 8 K HN -0.019 nan 8.250 nan 0.000 0.527 9 N N 1.826 120.415 118.700 -0.184 0.000 2.080 9 N HA -0.169 4.571 4.740 -0.000 0.000 0.189 9 N C 1.884 177.085 175.510 -0.515 0.000 1.036 9 N CA 1.370 54.197 53.050 -0.372 0.000 0.846 9 N CB -0.004 38.197 38.487 -0.477 0.000 1.015 9 N HN 0.344 nan 8.380 nan 0.000 0.423 10 Q N 1.208 120.781 119.800 -0.379 0.000 2.046 10 Q HA -0.131 4.208 4.340 -0.000 0.000 0.200 10 Q C 2.043 178.001 176.000 -0.070 0.000 0.975 10 Q CA 1.162 56.855 55.803 -0.184 0.000 0.836 10 Q CB 0.021 28.827 28.738 0.114 0.000 0.896 10 Q HN 0.357 nan 8.270 nan 0.000 0.428 11 Q N -0.466 119.318 119.800 -0.026 0.000 2.181 11 Q HA -0.186 4.154 4.340 -0.000 0.000 0.205 11 Q C 1.876 177.867 176.000 -0.015 0.000 0.980 11 Q CA 1.247 57.065 55.803 0.026 0.000 0.862 11 Q CB -0.107 28.647 28.738 0.028 0.000 0.905 11 Q HN 0.471 nan 8.270 nan 0.000 0.429 12 A N 1.106 123.888 122.820 -0.065 0.000 1.883 12 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 12 A C 2.013 179.566 177.584 -0.052 0.000 1.186 12 A CA 1.581 53.579 52.037 -0.064 0.000 0.624 12 A CB -0.503 18.442 19.000 -0.092 0.000 0.822 12 A HN 0.356 nan 8.150 nan 0.000 0.444 13 R N -0.469 119.989 120.500 -0.071 0.000 2.096 13 R HA -0.068 4.271 4.340 -0.000 0.000 0.235 13 R C 1.494 177.791 176.300 -0.005 0.000 1.127 13 R CA 1.716 57.794 56.100 -0.037 0.000 0.968 13 R CB -0.414 29.866 30.300 -0.033 0.000 0.861 13 R HN 0.821 nan 8.270 nan 0.000 0.440 14 I N -2.958 117.614 120.570 0.002 0.000 4.102 14 I HA 0.279 4.449 4.170 -0.000 0.000 0.325 14 I C 1.348 177.474 176.117 0.015 0.000 1.471 14 I CA -0.344 60.963 61.300 0.012 0.000 1.133 14 I CB 0.641 38.650 38.000 0.015 0.000 1.184 14 I HN -0.249 nan 8.210 nan 0.000 0.451 15 K N 2.374 122.785 120.400 0.017 0.000 2.044 15 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 15 K C 1.381 177.992 176.600 0.019 0.000 1.049 15 K CA 2.345 58.648 56.287 0.027 0.000 0.927 15 K CB -0.262 32.246 32.500 0.014 0.000 0.713 15 K HN 0.369 nan 8.250 nan 0.000 0.443 16 D N 0.203 120.609 120.400 0.009 0.000 2.117 16 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 16 D C 1.731 178.034 176.300 0.005 0.000 0.987 16 D CA 1.208 55.212 54.000 0.006 0.000 0.829 16 D CB -0.032 40.770 40.800 0.003 0.000 0.961 16 D HN 0.309 nan 8.370 nan 0.000 0.460 17 K N 0.068 120.470 120.400 0.003 0.000 2.057 17 K HA -0.009 4.311 4.320 -0.000 0.000 0.206 17 K C 2.291 178.885 176.600 -0.010 0.000 1.050 17 K CA 0.535 56.820 56.287 -0.003 0.000 0.935 17 K CB -0.003 32.495 32.500 -0.003 0.000 0.715 17 K HN 0.156 nan 8.250 nan 0.000 0.439 18 I N 1.436 122.002 120.570 -0.007 0.000 2.179 18 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 18 I C 1.775 177.896 176.117 0.006 0.000 1.088 18 I CA 1.205 62.498 61.300 -0.012 0.000 1.357 18 I CB -0.283 37.724 38.000 0.012 0.000 1.051 18 I HN 0.142 nan 8.210 nan 0.000 0.409 19 D N 1.085 121.496 120.400 0.018 0.000 2.123 19 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 19 D C 2.235 178.537 176.300 0.003 0.000 0.992 19 D CA 1.687 55.696 54.000 0.015 0.000 0.833 19 D CB -0.165 40.643 40.800 0.013 0.000 0.954 19 D HN 0.365 nan 8.370 nan 0.000 0.455 20 A N 0.666 123.485 122.820 -0.001 0.000 1.930 20 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 20 A C 2.376 179.954 177.584 -0.010 0.000 1.175 20 A CA 2.051 54.086 52.037 -0.004 0.000 0.627 20 A CB -0.987 18.011 19.000 -0.002 0.000 0.815 20 A HN 0.306 nan 8.150 nan 0.000 0.443 21 G N 0.068 108.860 108.800 -0.013 0.000 2.421 21 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 21 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 21 G C 1.534 176.420 174.900 -0.024 0.000 1.171 21 G CA 1.103 46.193 45.100 -0.018 0.000 0.775 21 G HN 0.465 nan 8.290 nan 0.000 0.543 22 I N 0.237 120.797 120.570 -0.016 0.000 2.179 22 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 22 I C 3.026 179.128 176.117 -0.026 0.000 1.088 22 I CA 1.030 62.325 61.300 -0.009 0.000 1.357 22 I CB -0.167 37.841 38.000 0.014 0.000 1.051 22 I HN 0.121 nan 8.210 nan 0.000 0.409 23 Q N 0.522 120.308 119.800 -0.023 0.000 2.124 23 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 23 Q C 2.300 178.258 176.000 -0.068 0.000 0.977 23 Q CA 1.474 57.258 55.803 -0.031 0.000 0.850 23 Q CB -0.390 28.338 28.738 -0.017 0.000 0.901 23 Q HN 0.504 nan 8.270 nan 0.000 0.429 24 R N -0.258 120.198 120.500 -0.073 0.000 2.081 24 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 24 R C 2.374 178.457 176.300 -0.361 0.000 1.131 24 R CA 1.309 57.347 56.100 -0.104 0.000 0.960 24 R CB -0.254 30.037 30.300 -0.014 0.000 0.856 24 R HN 0.088 nan 8.270 nan 0.000 0.436 25 V N 1.566 121.245 119.914 -0.392 0.000 2.307 25 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 25 V C 2.326 178.095 176.094 -0.542 0.000 1.045 25 V CA 1.585 63.456 62.300 -0.714 0.000 1.024 25 V CB -0.451 31.249 31.823 -0.205 0.000 0.651 25 V HN 0.305 nan 8.190 nan 0.000 0.449 26 L N -0.123 121.002 121.223 -0.165 0.000 2.131 26 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 26 L C 2.700 179.523 176.870 -0.079 0.000 1.092 26 L CA 1.845 56.689 54.840 0.007 0.000 0.759 26 L CB -0.653 41.434 42.059 0.047 0.000 0.903 26 L HN 0.325 nan 8.230 nan 0.000 0.435 27 R N 0.605 121.015 120.500 -0.151 0.000 2.057 27 R HA -0.185 4.155 4.340 -0.000 0.000 0.229 27 R C 2.502 178.747 176.300 -0.092 0.000 1.136 27 R CA 1.998 58.041 56.100 -0.094 0.000 0.952 27 R CB -0.401 29.862 30.300 -0.062 0.000 0.848 27 R HN 0.585 nan 8.270 nan 0.000 0.430 28 H N -1.966 117.046 119.070 -0.097 0.000 2.502 28 H HA 0.285 4.841 4.556 -0.000 0.000 0.283 28 H C 1.259 176.455 175.328 -0.220 0.000 1.015 28 H CA 0.693 56.665 56.048 -0.128 0.000 1.298 28 H CB -0.373 29.324 29.762 -0.108 0.000 1.411 28 H HN 0.422 nan 8.280 nan 0.000 0.556 29 G N 0.184 108.791 108.800 -0.321 0.000 2.155 29 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 29 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 29 G C 0.110 174.601 174.900 -0.683 0.000 0.983 29 G CA 0.384 45.086 45.100 -0.664 0.000 0.676 29 G HN 0.618 nan 8.290 nan 0.000 0.528 30 Q N 0.009 119.714 119.800 -0.158 0.000 2.844 30 Q HA 0.422 4.762 4.340 -0.000 0.000 0.235 30 Q C 0.666 176.610 176.000 -0.094 0.000 1.336 30 Q CA -0.570 55.173 55.803 -0.100 0.000 1.026 30 Q CB -0.038 28.637 28.738 -0.105 0.000 1.513 30 Q HN 0.610 nan 8.270 nan 0.000 0.577 31 Y N 0.055 120.414 120.300 0.099 0.000 2.509 31 Y HA -0.023 4.527 4.550 -0.000 0.000 0.293 31 Y C 0.681 176.610 175.900 0.048 0.000 1.133 31 Y CA 0.311 58.448 58.100 0.061 0.000 1.283 31 Y CB 0.541 39.021 38.460 0.034 0.000 1.001 31 Y HN 0.371 nan 8.280 nan 0.000 0.555 32 I N 0.842 121.503 120.570 0.151 0.000 2.418 32 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 32 I C 0.084 176.229 176.117 0.046 0.000 1.008 32 I CA -1.192 60.165 61.300 0.096 0.000 1.104 32 I CB 1.467 39.522 38.000 0.092 0.000 1.264 32 I HN -0.014 nan 8.210 nan 0.000 0.438 33 L N 5.518 126.760 121.223 0.031 0.000 3.739 33 L HA -0.197 4.143 4.340 -0.000 0.000 0.442 33 L C 0.557 177.416 176.870 -0.018 0.000 1.241 33 L CA 0.898 55.740 54.840 0.004 0.000 0.819 33 L CB -1.169 40.889 42.059 -0.002 0.000 1.679 33 L HN 0.892 nan 8.230 nan 0.000 0.889 34 G N 0.121 108.915 108.800 -0.010 0.000 2.621 34 G HA2 0.439 4.399 3.960 -0.000 0.000 0.271 34 G HA3 0.439 4.399 3.960 -0.000 0.000 0.271 34 G C -1.432 173.418 174.900 -0.084 0.000 1.236 34 G CA -0.221 44.841 45.100 -0.064 0.000 0.958 34 G HN 0.326 nan 8.290 nan 0.000 0.512 35 P HA -0.081 nan 4.420 nan 0.000 0.216 35 P C 1.372 178.641 177.300 -0.051 0.000 1.150 35 P CA 1.199 64.231 63.100 -0.114 0.000 0.843 35 P CB 0.236 31.838 31.700 -0.164 0.000 0.787 36 E N -0.843 119.346 120.200 -0.019 0.000 2.153 36 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 36 E C 1.962 178.547 176.600 -0.024 0.000 0.988 36 E CA 0.722 57.117 56.400 -0.007 0.000 0.811 36 E CB -1.098 28.613 29.700 0.018 0.000 0.746 36 E HN 0.045 nan 8.360 nan 0.000 0.466 37 V N 0.591 120.492 119.914 -0.020 0.000 2.261 37 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 37 V C 2.137 178.217 176.094 -0.023 0.000 1.047 37 V CA 2.257 64.543 62.300 -0.024 0.000 1.015 37 V CB -0.841 30.974 31.823 -0.013 0.000 0.642 37 V HN 0.338 nan 8.190 nan 0.000 0.446 38 T N -0.704 113.839 114.554 -0.020 0.000 2.746 38 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 38 T C 1.879 176.577 174.700 -0.003 0.000 1.039 38 T CA 1.734 63.828 62.100 -0.010 0.000 1.142 38 T CB -0.212 68.648 68.868 -0.014 0.000 0.866 38 T HN 0.618 nan 8.240 nan 0.000 0.444 39 E N 0.444 120.638 120.200 -0.010 0.000 2.058 39 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 39 E C 2.211 178.810 176.600 -0.000 0.000 0.997 39 E CA 1.024 57.422 56.400 -0.003 0.000 0.801 39 E CB -0.191 29.504 29.700 -0.009 0.000 0.746 39 E HN 0.282 nan 8.360 nan 0.000 0.450 40 L N 1.569 122.777 121.223 -0.025 0.000 2.012 40 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 40 L C 2.015 178.883 176.870 -0.003 0.000 1.073 40 L CA 1.949 56.761 54.840 -0.046 0.000 0.748 40 L CB -0.349 41.642 42.059 -0.113 0.000 0.891 40 L HN 0.141 nan 8.230 nan 0.000 0.431 41 E N -0.579 119.623 120.200 0.004 0.000 2.085 41 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 41 E C 1.820 178.473 176.600 0.089 0.000 0.994 41 E CA 1.401 57.822 56.400 0.034 0.000 0.801 41 E CB -0.180 29.527 29.700 0.011 0.000 0.743 41 E HN 0.576 nan 8.360 nan 0.000 0.453 42 D N 0.239 120.681 120.400 0.070 0.000 2.097 42 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 42 D C 1.979 178.353 176.300 0.124 0.000 0.989 42 D CA 1.044 55.094 54.000 0.084 0.000 0.827 42 D CB -0.173 40.660 40.800 0.054 0.000 0.966 42 D HN 0.103 nan 8.370 nan 0.000 0.456 43 R N 0.018 120.588 120.500 0.117 0.000 2.092 43 R HA 0.023 4.363 4.340 -0.000 0.000 0.231 43 R C 2.561 179.020 176.300 0.264 0.000 1.119 43 R CA 0.466 56.660 56.100 0.158 0.000 0.970 43 R CB -0.239 30.126 30.300 0.108 0.000 0.864 43 R HN 0.221 nan 8.270 nan 0.000 0.440 44 L N 0.053 121.440 121.223 0.274 0.000 2.027 44 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 44 L C 2.698 179.939 176.870 0.617 0.000 1.074 44 L CA 1.193 56.322 54.840 0.481 0.000 0.745 44 L CB -0.596 41.729 42.059 0.443 0.000 0.898 44 L HN 0.220 nan 8.230 nan 0.000 0.433 45 A N -0.079 123.034 122.820 0.488 0.000 1.908 45 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 45 A C 1.918 179.663 177.584 0.268 0.000 1.181 45 A CA 2.078 54.365 52.037 0.415 0.000 0.627 45 A CB -0.561 18.597 19.000 0.264 0.000 0.818 45 A HN 0.347 nan 8.150 nan 0.000 0.445 46 D N -1.186 119.350 120.400 0.227 0.000 2.117 46 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 46 D C 1.592 177.996 176.300 0.173 0.000 0.987 46 D CA 1.156 55.252 54.000 0.160 0.000 0.829 46 D CB -0.448 40.437 40.800 0.142 0.000 0.961 46 D HN 0.476 nan 8.370 nan 0.000 0.460 47 F N 1.038 121.062 119.950 0.125 0.000 2.126 47 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 47 F C 2.075 177.864 175.800 -0.019 0.000 1.096 47 F CA 1.373 59.427 58.000 0.090 0.000 1.255 47 F CB 0.122 39.249 39.000 0.212 0.000 0.997 47 F HN -0.054 nan 8.300 nan 0.000 0.479 48 V N -2.535 117.467 119.914 0.147 0.000 3.650 48 V HA 0.476 4.596 4.120 -0.000 0.000 0.271 48 V C 1.452 177.508 176.094 -0.064 0.000 1.281 48 V CA 0.631 62.892 62.300 -0.065 0.000 1.120 48 V CB -0.339 31.356 31.823 -0.213 0.000 0.856 48 V HN 0.603 nan 8.190 nan 0.000 0.443 49 G N 0.178 108.978 108.800 0.000 0.000 2.136 49 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.242 49 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.242 49 G C 0.311 175.222 174.900 0.018 0.000 0.989 49 G CA 0.310 45.406 45.100 -0.006 0.000 0.682 49 G HN 1.625 nan 8.290 nan 0.000 0.522 50 A N -0.437 122.426 122.820 0.072 0.000 2.302 50 A HA 0.780 5.100 4.320 -0.000 0.000 0.285 50 A C 1.252 178.872 177.584 0.061 0.000 1.105 50 A CA 0.826 52.929 52.037 0.109 0.000 0.816 50 A CB 0.710 19.861 19.000 0.252 0.000 1.067 50 A HN 0.402 nan 8.150 nan 0.000 0.489 51 K N -0.171 120.213 120.400 -0.026 0.000 2.057 51 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 51 K C -0.804 175.522 176.600 -0.457 0.000 1.050 51 K CA 1.349 57.459 56.287 -0.294 0.000 0.935 51 K CB -0.143 32.101 32.500 -0.427 0.000 0.715 51 K HN 0.688 nan 8.250 nan 0.000 0.439 52 Y N -1.158 119.211 120.300 0.115 0.000 2.442 52 Y HA 0.329 4.879 4.550 -0.000 0.000 0.344 52 Y C -0.786 175.162 175.900 0.080 0.000 0.976 52 Y CA -1.330 56.816 58.100 0.078 0.000 1.040 52 Y CB 1.671 40.153 38.460 0.037 0.000 1.228 52 Y HN -0.073 nan 8.280 nan 0.000 0.451 53 C N 5.272 124.661 119.300 0.148 0.000 2.369 53 C HA 0.815 5.275 4.460 -0.000 0.000 0.322 53 C C -0.903 174.004 174.990 -0.139 0.000 1.258 53 C CA -0.768 58.148 59.018 -0.170 0.000 1.487 53 C CB -1.198 26.457 27.740 -0.141 0.000 2.165 53 C HN 0.708 nan 8.230 nan 0.000 0.483 54 I N 6.326 126.754 120.570 -0.237 0.000 2.405 54 I HA 0.297 4.467 4.170 -0.000 0.000 0.280 54 I C 0.766 176.781 176.117 -0.170 0.000 1.027 54 I CA 0.311 61.523 61.300 -0.146 0.000 1.161 54 I CB 1.395 39.328 38.000 -0.112 0.000 1.300 54 I HN 0.767 nan 8.210 nan 0.000 0.463 55 S N 5.038 120.674 115.700 -0.107 0.000 2.585 55 S HA 0.665 5.135 4.470 -0.000 0.000 0.273 55 S C 0.196 174.770 174.600 -0.043 0.000 1.339 55 S CA -0.536 57.632 58.200 -0.054 0.000 1.028 55 S CB 1.135 64.336 63.200 0.002 0.000 0.906 55 S HN 0.865 nan 8.310 nan 0.000 0.528 56 C N -0.599 118.688 119.300 -0.022 0.000 3.276 56 C HA 0.897 5.357 4.460 -0.000 0.000 0.370 56 C C 1.562 176.554 174.990 0.003 0.000 1.624 56 C CA -0.293 58.710 59.018 -0.024 0.000 1.179 56 C CB 0.836 28.546 27.740 -0.050 0.000 1.909 56 C HN 1.052 nan 8.230 nan 0.000 0.434 57 A N 0.857 123.676 122.820 -0.001 0.000 1.968 57 A HA 0.358 4.678 4.320 -0.000 0.000 0.217 57 A C 0.573 178.178 177.584 0.036 0.000 1.169 57 A CA 1.832 53.881 52.037 0.021 0.000 0.638 57 A CB -0.933 18.075 19.000 0.013 0.000 0.812 57 A HN 1.484 nan 8.150 nan 0.000 0.446 58 N N -5.645 113.062 118.700 0.012 0.000 3.355 58 N HA 0.355 5.095 4.740 -0.000 0.000 0.238 58 N C 0.559 176.049 175.510 -0.033 0.000 1.466 58 N CA -0.056 53.002 53.050 0.014 0.000 0.882 58 N CB 0.125 38.647 38.487 0.058 0.000 1.406 58 N HN -0.036 nan 8.380 nan 0.000 0.500 59 G N -1.131 107.643 108.800 -0.043 0.000 2.448 59 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 59 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 59 G C 0.690 175.582 174.900 -0.015 0.000 1.135 59 G CA 1.470 46.535 45.100 -0.058 0.000 0.784 59 G HN 0.600 nan 8.290 nan 0.000 0.543 60 T N 1.024 115.584 114.554 0.011 0.000 2.770 60 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 60 T C 1.973 176.674 174.700 0.001 0.000 1.039 60 T CA 1.332 63.444 62.100 0.021 0.000 1.142 60 T CB -0.290 68.602 68.868 0.040 0.000 0.868 60 T HN 0.141 nan 8.240 nan 0.000 0.435 61 D N 1.498 121.896 120.400 -0.003 0.000 2.149 61 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 61 D C 2.281 178.566 176.300 -0.024 0.000 1.001 61 D CA 1.364 55.355 54.000 -0.015 0.000 0.849 61 D CB -0.500 40.291 40.800 -0.016 0.000 0.939 61 D HN 0.390 nan 8.370 nan 0.000 0.449 62 A N 0.237 123.039 122.820 -0.030 0.000 1.865 62 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 62 A C 2.346 179.919 177.584 -0.019 0.000 1.191 62 A CA 1.252 53.267 52.037 -0.037 0.000 0.623 62 A CB -0.911 18.057 19.000 -0.053 0.000 0.826 62 A HN 0.252 nan 8.150 nan 0.000 0.444 63 L N -0.875 120.343 121.223 -0.008 0.000 2.046 63 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 63 L C 2.926 179.792 176.870 -0.006 0.000 1.077 63 L CA 1.858 56.699 54.840 0.001 0.000 0.747 63 L CB -0.515 41.548 42.059 0.007 0.000 0.896 63 L HN 0.617 nan 8.230 nan 0.000 0.432 64 Q N 0.616 120.409 119.800 -0.011 0.000 2.050 64 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 64 Q C 2.344 178.333 176.000 -0.018 0.000 0.980 64 Q CA 1.888 57.682 55.803 -0.015 0.000 0.840 64 Q CB -0.110 28.617 28.738 -0.017 0.000 0.898 64 Q HN 0.514 nan 8.270 nan 0.000 0.424 65 I N 0.112 120.669 120.570 -0.023 0.000 2.226 65 I HA -0.269 3.900 4.170 -0.000 0.000 0.245 65 I C 2.301 178.405 176.117 -0.022 0.000 1.100 65 I CA 0.779 62.062 61.300 -0.028 0.000 1.374 65 I CB -0.189 37.788 38.000 -0.038 0.000 1.057 65 I HN 0.097 nan 8.210 nan 0.000 0.413 66 V N 0.328 120.232 119.914 -0.015 0.000 2.343 66 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 66 V C 2.408 178.500 176.094 -0.004 0.000 1.051 66 V CA 1.832 64.128 62.300 -0.006 0.000 1.036 66 V CB -0.723 31.104 31.823 0.007 0.000 0.654 66 V HN 0.479 nan 8.190 nan 0.000 0.451 67 Q N -0.921 118.876 119.800 -0.005 0.000 2.124 67 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 67 Q C 2.295 178.289 176.000 -0.009 0.000 0.977 67 Q CA 1.644 57.443 55.803 -0.006 0.000 0.850 67 Q CB -0.240 28.492 28.738 -0.009 0.000 0.901 67 Q HN 0.583 nan 8.270 nan 0.000 0.429 68 M N 0.023 119.616 119.600 -0.012 0.000 2.108 68 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 68 M C 2.350 178.643 176.300 -0.011 0.000 1.066 68 M CA 1.584 56.876 55.300 -0.012 0.000 1.107 68 M CB -0.343 32.248 32.600 -0.015 0.000 1.356 68 M HN 0.237 nan 8.290 nan 0.000 0.406 69 A N 0.074 122.887 122.820 -0.013 0.000 1.972 69 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 69 A C 1.991 179.571 177.584 -0.007 0.000 1.169 69 A CA 1.258 53.287 52.037 -0.013 0.000 0.635 69 A CB -0.788 18.201 19.000 -0.019 0.000 0.810 69 A HN 0.490 nan 8.150 nan 0.000 0.446 70 L N -1.328 119.893 121.223 -0.003 0.000 2.554 70 L HA 0.183 4.523 4.340 -0.000 0.000 0.226 70 L C 1.549 178.419 176.870 -0.000 0.000 1.137 70 L CA 0.517 55.358 54.840 0.001 0.000 0.863 70 L CB -0.166 41.897 42.059 0.006 0.000 0.985 70 L HN 0.569 nan 8.230 nan 0.000 0.451 71 G N 0.462 109.260 108.800 -0.004 0.000 2.149 71 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.235 71 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.235 71 G C 0.132 175.028 174.900 -0.007 0.000 1.018 71 G CA -0.052 45.045 45.100 -0.005 0.000 0.728 71 G HN 0.075 nan 8.290 nan 0.000 0.508 72 V N 0.216 120.124 119.914 -0.010 0.000 2.585 72 V HA 0.611 4.731 4.120 -0.000 0.000 0.296 72 V C 1.172 177.256 176.094 -0.016 0.000 1.035 72 V CA 1.283 63.575 62.300 -0.014 0.000 1.084 72 V CB 1.031 32.844 31.823 -0.016 0.000 0.953 72 V HN 1.245 nan 8.190 nan 0.000 0.483 73 G N 5.530 114.319 108.800 -0.019 0.000 2.561 73 G HA2 0.539 4.499 3.960 -0.000 0.000 0.310 73 G HA3 0.539 4.499 3.960 -0.000 0.000 0.310 73 G C -3.381 171.506 174.900 -0.022 0.000 1.292 73 G CA -1.087 44.001 45.100 -0.019 0.000 0.811 73 G HN 0.451 nan 8.290 nan 0.000 0.482 74 P HA 0.291 nan 4.420 nan 0.000 0.262 74 P C 0.943 178.230 177.300 -0.022 0.000 1.182 74 P CA 2.043 65.130 63.100 -0.022 0.000 0.761 74 P CB 0.910 32.599 31.700 -0.018 0.000 0.795 75 G N 1.825 110.610 108.800 -0.026 0.000 2.217 75 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.246 75 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.246 75 G C -0.057 174.825 174.900 -0.029 0.000 0.990 75 G CA -0.286 44.798 45.100 -0.025 0.000 0.627 75 G HN 0.505 nan 8.290 nan 0.000 0.522 76 D N 1.096 121.477 120.400 -0.032 0.000 2.253 76 D HA 0.564 5.203 4.640 -0.000 0.000 0.249 76 D C 0.355 176.625 176.300 -0.050 0.000 1.049 76 D CA 0.038 54.017 54.000 -0.036 0.000 0.929 76 D CB 1.124 41.906 40.800 -0.030 0.000 1.176 76 D HN 0.500 nan 8.370 nan 0.000 0.437 77 E N 0.037 120.204 120.200 -0.056 0.000 2.212 77 E HA 0.527 4.877 4.350 -0.000 0.000 0.268 77 E C -1.020 175.536 176.600 -0.073 0.000 0.902 77 E CA -0.903 55.452 56.400 -0.076 0.000 0.779 77 E CB 2.387 32.038 29.700 -0.083 0.000 1.172 77 E HN 0.025 nan 8.360 nan 0.000 0.409 78 V N 4.112 123.972 119.914 -0.090 0.000 2.483 78 V HA 0.337 4.457 4.120 -0.000 0.000 0.297 78 V C -0.243 175.792 176.094 -0.098 0.000 1.027 78 V CA -0.660 61.595 62.300 -0.075 0.000 0.855 78 V CB 1.391 33.179 31.823 -0.058 0.000 0.995 78 V HN 0.624 nan 8.190 nan 0.000 0.424 79 I N 5.014 125.541 120.570 -0.072 0.000 2.441 79 I HA 0.471 4.641 4.170 -0.000 0.000 0.287 79 I C 0.634 176.733 176.117 -0.030 0.000 1.049 79 I CA 0.466 61.726 61.300 -0.067 0.000 1.381 79 I CB 1.527 39.497 38.000 -0.050 0.000 1.409 79 I HN 0.834 nan 8.210 nan 0.000 0.523 80 T N 4.534 119.085 114.554 -0.004 0.000 2.883 80 T HA 0.583 4.933 4.350 -0.000 0.000 0.296 80 T C -2.893 171.895 174.700 0.146 0.000 1.117 80 T CA -2.189 59.952 62.100 0.068 0.000 1.006 80 T CB 2.187 71.111 68.868 0.094 0.000 1.191 80 T HN 0.180 nan 8.240 nan 0.000 0.508 81 P HA 0.229 nan 4.420 nan 0.000 0.272 81 P C 1.032 178.428 177.300 0.161 0.000 1.223 81 P CA -0.076 63.101 63.100 0.129 0.000 0.784 81 P CB 0.420 32.175 31.700 0.092 0.000 0.923 82 G N 0.905 109.762 108.800 0.095 0.000 2.448 82 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.218 82 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.218 82 G C -0.008 174.849 174.900 -0.073 0.000 1.135 82 G CA 0.244 45.242 45.100 -0.170 0.000 0.784 82 G HN 0.487 nan 8.290 nan 0.000 0.543 83 F N 1.783 121.689 119.950 -0.074 0.000 2.308 83 F HA 0.627 5.154 4.527 -0.000 0.000 0.370 83 F C -0.000 175.802 175.800 0.004 0.000 1.100 83 F CA -0.483 57.509 58.000 -0.013 0.000 1.108 83 F CB 1.451 40.490 39.000 0.064 0.000 1.293 83 F HN -0.007 nan 8.300 nan 0.000 0.478 84 T N 3.878 118.159 114.554 -0.455 0.000 2.652 84 T HA 0.169 4.519 4.350 -0.000 0.000 0.303 84 T C -1.878 172.321 174.700 -0.835 0.000 1.738 84 T CA -0.552 61.281 62.100 -0.445 0.000 0.969 84 T CB 0.047 68.813 68.868 -0.171 0.000 1.778 84 T HN 0.303 nan 8.240 nan 0.000 0.494 85 Y N 1.585 121.348 120.300 -0.895 0.000 2.397 85 Y HA 0.388 4.938 4.550 -0.000 0.000 0.335 85 Y C 1.607 177.242 175.900 -0.442 0.000 1.213 85 Y CA 0.556 58.140 58.100 -0.860 0.000 1.391 85 Y CB 0.824 39.028 38.460 -0.427 0.000 1.293 85 Y HN 0.411 nan 8.280 nan 0.000 0.557 86 V N 5.689 124.954 119.914 -1.083 0.000 2.453 86 V HA -0.348 3.772 4.120 -0.000 0.000 0.252 86 V C 1.996 177.806 176.094 -0.474 0.000 1.068 86 V CA 2.530 64.407 62.300 -0.704 0.000 1.070 86 V CB -1.122 30.306 31.823 -0.659 0.000 0.664 86 V HN 1.023 nan 8.190 nan 0.000 0.461 87 A N -0.772 121.746 122.820 -0.504 0.000 1.948 87 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 87 A C 2.321 179.864 177.584 -0.069 0.000 1.177 87 A CA 2.740 54.693 52.037 -0.140 0.000 0.636 87 A CB -1.171 17.894 19.000 0.108 0.000 0.815 87 A HN 0.598 nan 8.150 nan 0.000 0.449 88 T N -0.051 114.467 114.554 -0.060 0.000 2.720 88 T HA -0.032 4.317 4.350 -0.000 0.000 0.268 88 T C 2.008 176.698 174.700 -0.017 0.000 1.037 88 T CA 1.839 63.927 62.100 -0.020 0.000 1.144 88 T CB -0.286 68.574 68.868 -0.012 0.000 0.864 88 T HN 0.639 nan 8.240 nan 0.000 0.444 89 A N 0.496 123.301 122.820 -0.024 0.000 2.063 89 A HA 0.219 4.539 4.320 -0.000 0.000 0.211 89 A C 2.113 179.678 177.584 -0.032 0.000 1.177 89 A CA 0.679 52.718 52.037 0.003 0.000 0.759 89 A CB -0.263 18.811 19.000 0.124 0.000 0.857 89 A HN 0.494 nan 8.150 nan 0.000 0.468 90 E N 0.578 120.739 120.200 -0.065 0.000 2.118 90 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 90 E C 2.006 178.577 176.600 -0.049 0.000 0.992 90 E CA 1.960 58.319 56.400 -0.069 0.000 0.804 90 E CB -0.110 29.525 29.700 -0.109 0.000 0.741 90 E HN 0.716 nan 8.360 nan 0.000 0.458 91 T N -1.727 112.802 114.554 -0.042 0.000 2.821 91 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 91 T C 2.010 176.692 174.700 -0.030 0.000 1.046 91 T CA 1.119 63.201 62.100 -0.030 0.000 1.139 91 T CB -0.520 68.335 68.868 -0.021 0.000 0.871 91 T HN 0.014 nan 8.240 nan 0.000 0.454 92 V N 2.470 122.362 119.914 -0.035 0.000 2.255 92 V HA -0.126 3.993 4.120 -0.000 0.000 0.247 92 V C 3.274 179.342 176.094 -0.043 0.000 1.051 92 V CA 1.848 64.123 62.300 -0.042 0.000 1.018 92 V CB -1.486 30.302 31.823 -0.059 0.000 0.641 92 V HN 0.684 nan 8.190 nan 0.000 0.445 93 A N -0.261 122.533 122.820 -0.044 0.000 1.930 93 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 93 A C 2.152 179.717 177.584 -0.032 0.000 1.175 93 A CA 1.873 53.886 52.037 -0.039 0.000 0.627 93 A CB -0.563 18.416 19.000 -0.036 0.000 0.815 93 A HN 0.473 nan 8.150 nan 0.000 0.443 94 L N -0.205 121.000 121.223 -0.030 0.000 2.079 94 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 94 L C 1.889 178.746 176.870 -0.022 0.000 1.081 94 L CA 1.760 56.585 54.840 -0.024 0.000 0.752 94 L CB -0.385 41.660 42.059 -0.023 0.000 0.896 94 L HN 0.382 nan 8.230 nan 0.000 0.433 95 L N -0.568 120.640 121.223 -0.024 0.000 2.599 95 L HA 0.211 4.551 4.340 -0.000 0.000 0.230 95 L C 1.608 178.464 176.870 -0.023 0.000 1.141 95 L CA 0.562 55.389 54.840 -0.021 0.000 0.877 95 L CB -0.752 41.294 42.059 -0.021 0.000 1.009 95 L HN 0.589 nan 8.230 nan 0.000 0.447 96 G N -0.300 108.485 108.800 -0.026 0.000 2.175 96 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 96 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 96 G C 0.368 175.249 174.900 -0.032 0.000 0.982 96 G CA 0.035 45.119 45.100 -0.026 0.000 0.641 96 G HN 0.502 nan 8.290 nan 0.000 0.527 97 A N -0.283 122.514 122.820 -0.037 0.000 2.246 97 A HA 0.759 5.079 4.320 -0.000 0.000 0.291 97 A C 0.470 178.017 177.584 -0.062 0.000 1.103 97 A CA 0.321 52.330 52.037 -0.047 0.000 0.844 97 A CB 0.699 19.671 19.000 -0.046 0.000 1.136 97 A HN 0.566 nan 8.150 nan 0.000 0.500 98 K N 0.900 121.254 120.400 -0.078 0.000 2.265 98 K HA 0.441 4.761 4.320 -0.000 0.000 0.267 98 K C -2.804 173.698 176.600 -0.163 0.000 0.994 98 K CA -2.016 54.206 56.287 -0.108 0.000 0.860 98 K CB 0.977 33.418 32.500 -0.099 0.000 1.099 98 K HN 0.299 nan 8.250 nan 0.000 0.448 99 P HA 0.035 nan 4.420 nan 0.000 0.271 99 P C -1.066 175.898 177.300 -0.560 0.000 1.226 99 P CA -0.395 62.476 63.100 -0.383 0.000 0.765 99 P CB 0.943 32.376 31.700 -0.445 0.000 0.835 100 V N 5.644 125.288 119.914 -0.450 0.000 2.357 100 V HA 0.252 4.372 4.120 -0.000 0.000 0.284 100 V C -0.448 175.455 176.094 -0.318 0.000 1.018 100 V CA -0.562 61.518 62.300 -0.367 0.000 0.841 100 V CB 0.227 31.941 31.823 -0.182 0.000 0.991 100 V HN 0.366 nan 8.190 nan 0.000 0.437 101 Y N 3.584 123.871 120.300 -0.022 0.000 2.316 101 Y HA 0.559 5.109 4.550 -0.000 0.000 0.331 101 Y C 0.299 176.191 175.900 -0.013 0.000 1.083 101 Y CA -0.698 57.393 58.100 -0.015 0.000 1.206 101 Y CB 1.333 39.789 38.460 -0.006 0.000 1.195 101 Y HN 0.339 nan 8.280 nan 0.000 0.497 102 V N 3.486 123.495 119.914 0.159 0.000 2.555 102 V HA 0.215 4.335 4.120 -0.000 0.000 0.302 102 V C -0.119 176.023 176.094 0.080 0.000 1.038 102 V CA -1.066 61.283 62.300 0.081 0.000 0.887 102 V CB 1.881 33.724 31.823 0.034 0.000 0.991 102 V HN 0.682 nan 8.190 nan 0.000 0.434 103 D N 2.139 122.568 120.400 0.049 0.000 2.371 103 D HA 0.333 4.973 4.640 -0.000 0.000 0.242 103 D C -0.010 176.306 176.300 0.026 0.000 1.218 103 D CA -0.010 54.011 54.000 0.035 0.000 0.945 103 D CB 0.991 41.797 40.800 0.010 0.000 1.137 103 D HN 0.519 nan 8.370 nan 0.000 0.464 104 I N -1.629 118.954 120.570 0.023 0.000 2.793 104 I HA 0.366 4.536 4.170 -0.000 0.000 0.313 104 I C 0.365 176.457 176.117 -0.042 0.000 0.998 104 I CA -0.940 60.371 61.300 0.018 0.000 1.140 104 I CB 1.127 39.176 38.000 0.083 0.000 1.327 104 I HN 0.102 nan 8.210 nan 0.000 0.491 105 D N 4.449 124.813 120.400 -0.059 0.000 2.390 105 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 105 D C -1.683 174.491 176.300 -0.210 0.000 1.144 105 D CA -1.610 52.320 54.000 -0.117 0.000 0.880 105 D CB 1.707 42.448 40.800 -0.099 0.000 1.182 105 D HN 0.386 nan 8.370 nan 0.000 0.451 106 P HA -0.060 nan 4.420 nan 0.000 0.223 106 P C 1.029 178.008 177.300 -0.536 0.000 1.151 106 P CA 0.806 63.703 63.100 -0.337 0.000 0.787 106 P CB 0.525 32.084 31.700 -0.235 0.000 0.788 107 R N -0.401 119.823 120.500 -0.460 0.000 2.087 107 R HA 0.043 4.383 4.340 -0.000 0.000 0.216 107 R C 2.368 178.470 176.300 -0.330 0.000 1.114 107 R CA 1.881 57.714 56.100 -0.445 0.000 1.002 107 R CB -0.961 28.980 30.300 -0.599 0.000 0.903 107 R HN 0.261 nan 8.270 nan 0.000 0.445 108 T N -3.085 111.367 114.554 -0.169 0.000 3.067 108 T HA -0.033 4.317 4.350 -0.000 0.000 0.257 108 T C 0.325 175.118 174.700 0.154 0.000 1.105 108 T CA 0.278 62.424 62.100 0.077 0.000 1.104 108 T CB -0.108 68.837 68.868 0.128 0.000 0.925 108 T HN 0.348 nan 8.240 nan 0.000 0.498 109 Y N 0.428 120.774 120.300 0.078 0.000 4.798 109 Y HA -0.194 4.356 4.550 -0.000 0.000 0.237 109 Y C 0.265 176.208 175.900 0.072 0.000 1.017 109 Y CA 0.204 58.355 58.100 0.083 0.000 2.010 109 Y CB -2.774 35.789 38.460 0.171 0.000 1.582 109 Y HN 0.347 nan 8.280 nan 0.000 0.621 110 N N 0.580 119.353 118.700 0.122 0.000 2.443 110 N HA 0.428 5.168 4.740 -0.000 0.000 0.293 110 N C -0.180 175.339 175.510 0.015 0.000 1.159 110 N CA -0.926 52.159 53.050 0.057 0.000 0.904 110 N CB 1.222 39.719 38.487 0.017 0.000 1.214 110 N HN 0.237 nan 8.380 nan 0.000 0.513 111 L N 1.143 122.358 121.223 -0.014 0.000 2.667 111 L HA -0.100 4.240 4.340 -0.000 0.000 0.278 111 L C 0.142 176.983 176.870 -0.048 0.000 1.217 111 L CA 0.338 55.162 54.840 -0.027 0.000 0.935 111 L CB 0.107 42.131 42.059 -0.058 0.000 1.193 111 L HN 0.421 nan 8.230 nan 0.000 0.493 112 D N 7.591 127.973 120.400 -0.029 0.000 2.344 112 D HA 0.136 4.776 4.640 -0.000 0.000 0.253 112 D C -1.657 174.622 176.300 -0.035 0.000 1.255 112 D CA -2.076 51.903 54.000 -0.035 0.000 0.894 112 D CB 1.456 42.237 40.800 -0.032 0.000 1.067 112 D HN 0.334 nan 8.370 nan 0.000 0.492 113 P HA -0.127 nan 4.420 nan 0.000 0.219 113 P C 1.114 178.407 177.300 -0.012 0.000 1.146 113 P CA 0.780 63.861 63.100 -0.032 0.000 0.808 113 P CB 0.309 31.993 31.700 -0.028 0.000 0.779 114 Q N -1.065 118.727 119.800 -0.013 0.000 2.436 114 Q HA 0.047 4.387 4.340 -0.000 0.000 0.209 114 Q C 1.613 177.609 176.000 -0.006 0.000 0.965 114 Q CA 0.892 56.691 55.803 -0.006 0.000 0.910 114 Q CB -0.211 28.520 28.738 -0.012 0.000 0.980 114 Q HN 0.397 nan 8.270 nan 0.000 0.491 115 L N -0.620 120.597 121.223 -0.010 0.000 2.766 115 L HA 0.059 4.399 4.340 -0.000 0.000 0.242 115 L C 1.685 178.549 176.870 -0.010 0.000 1.136 115 L CA -0.125 54.709 54.840 -0.009 0.000 0.933 115 L CB 0.088 42.142 42.059 -0.008 0.000 1.241 115 L HN 0.099 nan 8.230 nan 0.000 0.522 116 L N 0.488 121.705 121.223 -0.011 0.000 2.044 116 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 116 L C 2.314 179.167 176.870 -0.027 0.000 1.075 116 L CA 1.920 56.750 54.840 -0.017 0.000 0.747 116 L CB -0.291 41.760 42.059 -0.014 0.000 0.903 116 L HN 0.234 nan 8.230 nan 0.000 0.435 117 E N -0.551 119.646 120.200 -0.005 0.000 2.110 117 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 117 E C 2.074 178.638 176.600 -0.060 0.000 0.988 117 E CA 1.019 57.412 56.400 -0.012 0.000 0.804 117 E CB -0.174 29.572 29.700 0.076 0.000 0.745 117 E HN 0.621 nan 8.360 nan 0.000 0.458 118 A N 0.581 123.381 122.820 -0.033 0.000 2.070 118 A HA -0.068 4.251 4.320 -0.000 0.000 0.220 118 A C 2.155 179.705 177.584 -0.057 0.000 1.159 118 A CA 1.560 53.575 52.037 -0.036 0.000 0.656 118 A CB -0.380 18.610 19.000 -0.018 0.000 0.800 118 A HN 0.363 nan 8.150 nan 0.000 0.453 119 A N -0.954 121.825 122.820 -0.068 0.000 2.238 119 A HA 0.422 4.742 4.320 -0.000 0.000 0.210 119 A C 0.766 178.281 177.584 -0.115 0.000 1.179 119 A CA -0.245 51.747 52.037 -0.074 0.000 0.827 119 A CB -0.173 18.794 19.000 -0.054 0.000 0.856 119 A HN 0.411 nan 8.150 nan 0.000 0.488 120 I N 1.985 122.450 120.570 -0.175 0.000 2.496 120 I HA 0.204 4.374 4.170 -0.000 0.000 0.285 120 I C 0.831 176.803 176.117 -0.241 0.000 1.080 120 I CA 0.199 61.340 61.300 -0.265 0.000 1.404 120 I CB 1.231 38.929 38.000 -0.503 0.000 1.403 120 I HN 0.360 nan 8.210 nan 0.000 0.539 121 T N 2.638 117.082 114.554 -0.183 0.000 2.864 121 T HA 0.442 4.792 4.350 -0.000 0.000 0.289 121 T C -2.211 172.429 174.700 -0.100 0.000 1.082 121 T CA -1.741 60.284 62.100 -0.124 0.000 1.009 121 T CB 1.744 70.561 68.868 -0.085 0.000 1.234 121 T HN 0.201 nan 8.240 nan 0.000 0.526 122 P HA 0.061 nan 4.420 nan 0.000 0.221 122 P C 1.123 178.406 177.300 -0.028 0.000 1.145 122 P CA 0.772 63.856 63.100 -0.028 0.000 0.795 122 P CB 0.058 31.750 31.700 -0.013 0.000 0.775 123 R N -1.586 118.889 120.500 -0.041 0.000 2.297 123 R HA 0.103 4.443 4.340 -0.000 0.000 0.197 123 R C 0.284 176.557 176.300 -0.045 0.000 0.943 123 R CA 0.301 56.378 56.100 -0.038 0.000 1.038 123 R CB -0.471 29.804 30.300 -0.042 0.000 0.957 123 R HN 0.127 nan 8.270 nan 0.000 0.484 124 T N 1.482 116.002 114.554 -0.057 0.000 2.784 124 T HA 0.016 4.366 4.350 -0.000 0.000 0.291 124 T C 0.862 175.543 174.700 -0.031 0.000 0.942 124 T CA 0.434 62.498 62.100 -0.059 0.000 1.161 124 T CB 1.174 69.989 68.868 -0.088 0.000 0.885 124 T HN 0.016 nan 8.240 nan 0.000 0.534 125 K N 1.869 122.254 120.400 -0.026 0.000 2.365 125 K HA 0.537 4.857 4.320 -0.000 0.000 0.195 125 K C 0.326 176.925 176.600 -0.001 0.000 1.079 125 K CA 0.162 56.443 56.287 -0.010 0.000 0.979 125 K CB 0.690 33.181 32.500 -0.015 0.000 0.929 125 K HN 0.726 nan 8.250 nan 0.000 0.523 126 A N -0.053 122.763 122.820 -0.007 0.000 2.612 126 A HA 0.638 4.958 4.320 -0.000 0.000 0.293 126 A C -1.620 175.965 177.584 0.001 0.000 1.075 126 A CA -0.753 51.288 52.037 0.007 0.000 0.680 126 A CB 0.935 19.940 19.000 0.009 0.000 1.279 126 A HN 0.076 nan 8.150 nan 0.000 0.411 127 I N 0.955 121.537 120.570 0.020 0.000 2.436 127 I HA 0.438 4.608 4.170 -0.000 0.000 0.289 127 I C -0.922 175.220 176.117 0.042 0.000 1.010 127 I CA -0.244 61.067 61.300 0.019 0.000 1.098 127 I CB 1.912 39.925 38.000 0.022 0.000 1.266 127 I HN 0.487 nan 8.210 nan 0.000 0.434 128 I N 7.830 128.419 120.570 0.032 0.000 2.557 128 I HA 0.303 4.473 4.170 -0.000 0.000 0.277 128 I C -2.445 173.700 176.117 0.047 0.000 1.106 128 I CA -1.745 59.588 61.300 0.054 0.000 1.180 128 I CB 0.651 38.676 38.000 0.041 0.000 1.392 128 I HN 0.196 nan 8.210 nan 0.000 0.506 129 P HA 0.153 nan 4.420 nan 0.000 0.275 129 P C -0.349 176.981 177.300 0.050 0.000 1.227 129 P CA -0.146 62.936 63.100 -0.030 0.000 0.781 129 P CB 1.133 32.680 31.700 -0.255 0.000 0.906 130 V N 2.541 122.469 119.914 0.023 0.000 2.472 130 V HA 0.208 4.328 4.120 -0.000 0.000 0.290 130 V C 0.569 176.695 176.094 0.052 0.000 1.037 130 V CA -0.187 62.145 62.300 0.053 0.000 0.908 130 V CB 1.480 33.318 31.823 0.025 0.000 0.985 130 V HN 0.427 nan 8.190 nan 0.000 0.454 131 S N 5.130 120.892 115.700 0.103 0.000 3.729 131 S HA 0.319 4.789 4.470 -0.000 0.000 0.235 131 S C -0.222 174.413 174.600 0.060 0.000 1.367 131 S CA -0.311 57.953 58.200 0.107 0.000 0.907 131 S CB -0.367 62.935 63.200 0.170 0.000 1.471 131 S HN 0.500 nan 8.310 nan 0.000 0.476 132 L N 2.948 124.170 121.223 -0.002 0.000 2.426 132 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 132 L C 0.418 177.247 176.870 -0.069 0.000 1.169 132 L CA 0.572 55.328 54.840 -0.139 0.000 0.836 132 L CB -0.585 41.279 42.059 -0.325 0.000 1.112 132 L HN 0.761 nan 8.230 nan 0.000 0.465 133 Y N 2.908 123.248 120.300 0.066 0.000 4.753 133 Y HA -0.284 4.266 4.550 -0.000 0.000 0.232 133 Y C 1.498 177.414 175.900 0.026 0.000 1.029 133 Y CA 0.376 58.497 58.100 0.034 0.000 1.996 133 Y CB -1.834 36.641 38.460 0.026 0.000 1.602 133 Y HN 0.947 nan 8.280 nan 0.000 0.621 134 G N 0.280 109.174 108.800 0.157 0.000 2.159 134 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.227 134 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.227 134 G C -0.241 174.686 174.900 0.045 0.000 0.986 134 G CA 0.182 45.346 45.100 0.106 0.000 0.651 134 G HN 0.567 nan 8.290 nan 0.000 0.523 135 Q N 0.306 120.139 119.800 0.054 0.000 2.307 135 Q HA 0.568 4.908 4.340 -0.000 0.000 0.262 135 Q C 0.550 176.611 176.000 0.102 0.000 0.961 135 Q CA -0.728 55.103 55.803 0.047 0.000 0.882 135 Q CB 0.895 29.656 28.738 0.038 0.000 1.264 135 Q HN 0.340 nan 8.270 nan 0.000 0.446 136 C N 3.335 122.719 119.300 0.141 0.000 2.611 136 C HA 0.331 4.791 4.460 -0.000 0.000 0.416 136 C C 1.060 176.125 174.990 0.126 0.000 1.366 136 C CA -0.276 58.861 59.018 0.198 0.000 1.761 136 C CB -0.810 27.088 27.740 0.263 0.000 2.619 136 C HN 0.898 nan 8.230 nan 0.000 0.606 137 A N 2.449 125.279 122.820 0.017 0.000 2.366 137 A HA 0.225 4.545 4.320 -0.000 0.000 0.250 137 A C 0.588 177.910 177.584 -0.436 0.000 1.099 137 A CA -0.043 51.822 52.037 -0.287 0.000 0.794 137 A CB 0.128 18.773 19.000 -0.591 0.000 1.056 137 A HN 0.860 nan 8.150 nan 0.000 0.499 138 D N 0.329 120.519 120.400 -0.351 0.000 2.508 138 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 138 D C 0.296 176.386 176.300 -0.350 0.000 1.171 138 D CA 0.069 53.969 54.000 -0.166 0.000 1.006 138 D CB -0.755 40.046 40.800 0.002 0.000 1.073 138 D HN 0.381 nan 8.370 nan 0.000 0.513 139 F N 0.675 120.278 119.950 -0.579 0.000 2.259 139 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 139 F C 2.052 177.801 175.800 -0.085 0.000 1.088 139 F CA 0.538 58.317 58.000 -0.369 0.000 1.358 139 F CB 0.225 38.922 39.000 -0.504 0.000 1.040 139 F HN 0.212 nan 8.300 nan 0.000 0.505 140 D N 0.218 120.772 120.400 0.257 0.000 2.117 140 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 140 D C 2.343 178.727 176.300 0.140 0.000 0.987 140 D CA 1.447 55.597 54.000 0.249 0.000 0.829 140 D CB -0.536 40.443 40.800 0.299 0.000 0.961 140 D HN 0.246 nan 8.370 nan 0.000 0.460 141 A N 0.442 123.328 122.820 0.109 0.000 1.898 141 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 141 A C 2.368 179.969 177.584 0.028 0.000 1.181 141 A CA 0.767 52.838 52.037 0.057 0.000 0.620 141 A CB -0.596 18.428 19.000 0.042 0.000 0.819 141 A HN 0.168 nan 8.150 nan 0.000 0.442 142 I N 0.022 120.582 120.570 -0.016 0.000 2.202 142 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 142 I C 2.046 178.191 176.117 0.047 0.000 1.091 142 I CA 1.035 62.319 61.300 -0.028 0.000 1.368 142 I CB -0.384 37.520 38.000 -0.159 0.000 1.058 142 I HN 0.253 nan 8.210 nan 0.000 0.410 143 N N 1.149 119.903 118.700 0.090 0.000 2.166 143 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 143 N C 1.874 177.435 175.510 0.084 0.000 1.019 143 N CA 1.538 54.655 53.050 0.111 0.000 0.856 143 N CB -0.392 38.175 38.487 0.134 0.000 0.993 143 N HN 0.363 nan 8.380 nan 0.000 0.426 144 A N 1.034 123.899 122.820 0.074 0.000 1.877 144 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 144 A C 2.330 179.947 177.584 0.055 0.000 1.186 144 A CA 1.000 53.070 52.037 0.056 0.000 0.620 144 A CB -0.636 18.394 19.000 0.051 0.000 0.822 144 A HN 0.216 nan 8.150 nan 0.000 0.443 145 I N -0.412 120.204 120.570 0.077 0.000 2.202 145 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 145 I C 2.990 179.221 176.117 0.189 0.000 1.091 145 I CA 0.986 62.363 61.300 0.127 0.000 1.368 145 I CB -0.356 37.718 38.000 0.123 0.000 1.058 145 I HN 0.343 nan 8.210 nan 0.000 0.410 146 A N 0.872 123.777 122.820 0.142 0.000 1.883 146 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 146 A C 2.505 180.168 177.584 0.133 0.000 1.186 146 A CA 2.421 54.547 52.037 0.149 0.000 0.624 146 A CB -0.973 18.090 19.000 0.106 0.000 0.822 146 A HN 0.532 nan 8.150 nan 0.000 0.444 147 S N -0.187 115.562 115.700 0.082 0.000 2.402 147 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 147 S C 1.892 176.490 174.600 -0.002 0.000 1.021 147 S CA 1.468 59.696 58.200 0.046 0.000 0.974 147 S CB -0.371 62.851 63.200 0.036 0.000 0.800 147 S HN 0.621 nan 8.310 nan 0.000 0.484 148 K N 0.340 120.709 120.400 -0.053 0.000 2.103 148 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 148 K C 0.807 177.196 176.600 -0.353 0.000 1.048 148 K CA 1.530 57.672 56.287 -0.241 0.000 0.930 148 K CB -0.229 32.049 32.500 -0.370 0.000 0.716 148 K HN 0.587 nan 8.250 nan 0.000 0.444 149 Y N -0.641 119.666 120.300 0.012 0.000 2.507 149 Y HA 0.258 4.808 4.550 -0.000 0.000 0.254 149 Y C 1.042 176.948 175.900 0.010 0.000 1.171 149 Y CA 0.149 58.255 58.100 0.009 0.000 1.238 149 Y CB 0.989 39.453 38.460 0.006 0.000 1.148 149 Y HN 0.257 nan 8.280 nan 0.000 0.525 150 G N 1.418 110.283 108.800 0.108 0.000 2.249 150 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.273 150 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.273 150 G C -0.067 174.881 174.900 0.081 0.000 1.036 150 G CA 0.179 45.324 45.100 0.076 0.000 0.824 150 G HN 0.380 nan 8.290 nan 0.000 0.504 151 I N 1.922 122.552 120.570 0.101 0.000 2.331 151 I HA 0.312 4.481 4.170 -0.000 0.000 0.292 151 I C -1.532 174.626 176.117 0.068 0.000 0.998 151 I CA -2.480 58.867 61.300 0.078 0.000 1.267 151 I CB 1.556 39.603 38.000 0.078 0.000 1.386 151 I HN -0.074 nan 8.210 nan 0.000 0.476 152 P HA 0.114 nan 4.420 nan 0.000 0.271 152 P C -0.738 176.600 177.300 0.064 0.000 1.216 152 P CA -0.140 62.993 63.100 0.055 0.000 0.776 152 P CB 1.199 32.925 31.700 0.043 0.000 0.881 153 V N 4.889 124.852 119.914 0.082 0.000 2.384 153 V HA 0.317 4.437 4.120 -0.000 0.000 0.287 153 V C 0.514 176.675 176.094 0.112 0.000 1.020 153 V CA -0.531 61.838 62.300 0.114 0.000 0.850 153 V CB 1.099 33.025 31.823 0.172 0.000 0.987 153 V HN 0.371 nan 8.190 nan 0.000 0.436 154 I N 4.075 124.711 120.570 0.111 0.000 2.307 154 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 154 I C 0.497 176.703 176.117 0.149 0.000 1.021 154 I CA -0.234 61.125 61.300 0.098 0.000 1.224 154 I CB 1.227 39.269 38.000 0.069 0.000 1.376 154 I HN 0.661 nan 8.210 nan 0.000 0.470 155 E N 5.829 126.107 120.200 0.131 0.000 2.217 155 E HA -0.029 4.321 4.350 -0.000 0.000 0.279 155 E C -0.555 176.131 176.600 0.143 0.000 1.068 155 E CA -0.492 56.025 56.400 0.195 0.000 0.882 155 E CB 0.666 30.337 29.700 -0.048 0.000 1.039 155 E HN 0.426 nan 8.360 nan 0.000 0.418 156 D N 4.143 124.634 120.400 0.152 0.000 2.435 156 D HA 0.130 4.770 4.640 -0.000 0.000 0.230 156 D C -0.267 176.100 176.300 0.112 0.000 1.215 156 D CA -0.125 53.938 54.000 0.104 0.000 0.947 156 D CB 0.601 41.447 40.800 0.077 0.000 1.048 156 D HN 0.460 nan 8.370 nan 0.000 0.512 157 A N 3.313 126.198 122.820 0.109 0.000 2.532 157 A HA 0.457 4.777 4.320 -0.000 0.000 0.273 157 A C 1.884 179.532 177.584 0.108 0.000 1.342 157 A CA 0.372 52.480 52.037 0.120 0.000 0.929 157 A CB -0.137 18.939 19.000 0.127 0.000 1.051 157 A HN 0.552 nan 8.150 nan 0.000 0.521 158 A N 0.121 122.980 122.820 0.064 0.000 1.958 158 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 158 A C 1.908 179.526 177.584 0.057 0.000 1.178 158 A CA 1.969 54.020 52.037 0.023 0.000 0.642 158 A CB -0.301 18.697 19.000 -0.004 0.000 0.816 158 A HN 0.633 nan 8.150 nan 0.000 0.453 159 Q N -0.964 118.888 119.800 0.087 0.000 2.282 159 Q HA 0.095 4.435 4.340 -0.000 0.000 0.206 159 Q C 1.133 177.233 176.000 0.167 0.000 0.878 159 Q CA 0.600 56.474 55.803 0.118 0.000 0.944 159 Q CB 0.379 29.178 28.738 0.103 0.000 1.100 159 Q HN 0.743 nan 8.270 nan 0.000 0.509 160 S N -1.053 114.754 115.700 0.177 0.000 2.730 160 S HA 0.184 4.654 4.470 -0.000 0.000 0.244 160 S C -0.069 174.664 174.600 0.222 0.000 1.022 160 S CA -0.686 57.622 58.200 0.181 0.000 1.014 160 S CB -0.128 63.152 63.200 0.134 0.000 0.963 160 S HN 0.226 nan 8.310 nan 0.000 0.540 161 F N 3.183 123.226 119.950 0.156 0.000 2.602 161 F HA 0.447 4.974 4.527 0.000 0.000 0.385 161 F C 1.505 177.550 175.800 0.409 0.000 1.063 161 F CA 1.719 59.835 58.000 0.194 0.000 1.233 161 F CB 0.109 39.186 39.000 0.128 0.000 1.067 161 F HN 0.441 nan 8.300 nan 0.000 0.564 162 G N 3.256 111.945 108.800 -0.184 0.000 2.254 162 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.225 162 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.225 162 G C 0.298 175.232 174.900 0.056 0.000 1.003 162 G CA -0.100 45.104 45.100 0.174 0.000 0.622 162 G HN 1.246 nan 8.290 nan 0.000 0.507 163 A N 0.043 122.889 122.820 0.043 0.000 2.366 163 A HA 0.737 5.057 4.320 -0.000 0.000 0.249 163 A C 0.599 178.183 177.584 0.000 0.000 1.084 163 A CA 1.199 53.253 52.037 0.028 0.000 0.794 163 A CB 0.560 19.594 19.000 0.058 0.000 1.034 163 A HN 1.163 nan 8.150 nan 0.000 0.491 164 S N -0.776 114.932 115.700 0.014 0.000 2.526 164 S HA 0.541 5.011 4.470 -0.000 0.000 0.293 164 S C -1.403 173.260 174.600 0.105 0.000 1.092 164 S CA -0.228 57.984 58.200 0.020 0.000 0.980 164 S CB 1.254 64.434 63.200 -0.034 0.000 1.048 164 S HN 0.613 nan 8.310 nan 0.000 0.483 165 Y N 2.594 122.886 120.300 -0.014 0.000 2.376 165 Y HA 0.367 4.917 4.550 -0.000 0.000 0.326 165 Y C 0.093 175.999 175.900 0.009 0.000 0.970 165 Y CA -0.624 57.491 58.100 0.025 0.000 1.248 165 Y CB 0.317 38.825 38.460 0.081 0.000 1.117 165 Y HN 0.821 nan 8.280 nan 0.000 0.476 166 K N 4.757 124.908 120.400 -0.413 0.000 3.071 166 K HA -0.261 4.059 4.320 -0.000 0.000 0.262 166 K C 0.911 177.410 176.600 -0.169 0.000 0.977 166 K CA 1.053 57.131 56.287 -0.349 0.000 0.721 166 K CB -1.652 30.532 32.500 -0.526 0.000 1.293 166 K HN 1.288 nan 8.250 nan 0.000 0.475 167 G N -0.154 108.580 108.800 -0.108 0.000 2.176 167 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.253 167 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.253 167 G C -0.063 174.799 174.900 -0.063 0.000 0.979 167 G CA 0.655 45.708 45.100 -0.079 0.000 0.641 167 G HN 0.380 nan 8.290 nan 0.000 0.530 168 K N 0.529 120.912 120.400 -0.029 0.000 2.270 168 K HA 0.566 4.886 4.320 -0.000 0.000 0.255 168 K C 0.400 176.986 176.600 -0.022 0.000 0.936 168 K CA -1.097 55.179 56.287 -0.019 0.000 0.809 168 K CB 0.673 33.190 32.500 0.027 0.000 1.131 168 K HN 0.028 nan 8.250 nan 0.000 0.427 169 R N 1.735 122.182 120.500 -0.088 0.000 2.489 169 R HA 0.019 4.359 4.340 -0.000 0.000 0.287 169 R C 0.043 176.270 176.300 -0.122 0.000 1.053 169 R CA 0.010 56.035 56.100 -0.124 0.000 1.036 169 R CB 1.065 31.244 30.300 -0.201 0.000 0.966 169 R HN 0.697 nan 8.270 nan 0.000 0.432 170 S N 0.832 116.471 115.700 -0.102 0.000 2.561 170 S HA -0.116 4.353 4.470 -0.000 0.000 0.294 170 S C 0.723 175.202 174.600 -0.203 0.000 1.294 170 S CA 0.518 58.644 58.200 -0.124 0.000 1.055 170 S CB 0.053 63.226 63.200 -0.044 0.000 0.819 170 S HN 0.775 nan 8.310 nan 0.000 0.503 171 C N 2.626 121.804 119.300 -0.204 0.000 5.277 171 C HA -0.108 4.352 4.460 -0.000 0.000 0.225 171 C C 0.730 175.605 174.990 -0.192 0.000 1.237 171 C CA 0.635 59.521 59.018 -0.220 0.000 1.297 171 C CB -2.648 24.794 27.740 -0.497 0.000 1.947 171 C HN 0.944 nan 8.230 nan 0.000 0.642 172 N N -0.079 118.507 118.700 -0.190 0.000 2.588 172 N HA 0.485 5.225 4.740 -0.000 0.000 0.298 172 N C 0.318 175.743 175.510 -0.141 0.000 1.718 172 N CA -0.115 52.864 53.050 -0.119 0.000 0.888 172 N CB 0.128 38.561 38.487 -0.090 0.000 1.389 172 N HN 0.584 nan 8.380 nan 0.000 0.491 173 L N -1.301 119.763 121.223 -0.266 0.000 2.966 173 L HA 0.401 4.741 4.340 -0.000 0.000 0.262 173 L C 0.253 176.920 176.870 -0.338 0.000 1.165 173 L CA -0.038 54.592 54.840 -0.350 0.000 0.978 173 L CB 0.220 41.864 42.059 -0.692 0.000 1.337 173 L HN 0.169 nan 8.230 nan 0.000 0.563 174 S N -3.383 112.169 115.700 -0.248 0.000 2.757 174 S HA 0.269 4.739 4.470 -0.000 0.000 0.285 174 S C 0.648 175.234 174.600 -0.024 0.000 1.196 174 S CA -0.060 58.075 58.200 -0.107 0.000 0.856 174 S CB 1.179 64.311 63.200 -0.112 0.000 1.212 174 S HN -0.084 nan 8.310 nan 0.000 0.516 175 T N 0.424 114.993 114.554 0.025 0.000 2.653 175 T HA 0.009 4.359 4.350 -0.000 0.000 0.268 175 T C 0.766 175.496 174.700 0.050 0.000 1.035 175 T CA 2.041 64.167 62.100 0.043 0.000 1.154 175 T CB -0.460 68.438 68.868 0.051 0.000 0.862 175 T HN 1.117 nan 8.240 nan 0.000 0.441 176 V N -1.031 118.911 119.914 0.047 0.000 3.225 176 V HA 0.713 4.833 4.120 -0.000 0.000 0.293 176 V C -2.036 174.099 176.094 0.069 0.000 1.405 176 V CA -0.512 61.831 62.300 0.072 0.000 1.038 176 V CB 1.988 33.849 31.823 0.064 0.000 1.123 176 V HN 0.476 nan 8.190 nan 0.000 0.447 177 A N 3.323 126.218 122.820 0.125 0.000 2.498 177 A HA 0.922 5.242 4.320 -0.000 0.000 0.298 177 A C -1.035 176.664 177.584 0.192 0.000 1.075 177 A CA -0.393 51.726 52.037 0.137 0.000 0.714 177 A CB 1.860 20.932 19.000 0.119 0.000 1.299 177 A HN 1.238 nan 8.150 nan 0.000 0.407 178 C N 0.189 119.577 119.300 0.146 0.000 2.563 178 C HA 0.947 5.407 4.460 -0.000 0.000 0.314 178 C C 0.518 175.567 174.990 0.098 0.000 1.199 178 C CA -0.382 58.697 59.018 0.101 0.000 1.564 178 C CB 1.341 29.106 27.740 0.042 0.000 2.173 178 C HN 1.005 nan 8.230 nan 0.000 0.485 179 T N 0.414 114.982 114.554 0.023 0.000 2.838 179 T HA 0.738 5.088 4.350 -0.000 0.000 0.292 179 T C -1.061 173.442 174.700 -0.328 0.000 1.113 179 T CA -0.180 61.871 62.100 -0.082 0.000 1.008 179 T CB 1.796 70.675 68.868 0.018 0.000 1.259 179 T HN 0.808 nan 8.240 nan 0.000 0.520 180 S N 0.497 115.980 115.700 -0.361 0.000 2.526 180 S HA 0.671 5.141 4.470 -0.000 0.000 0.293 180 S C -1.065 173.274 174.600 -0.435 0.000 1.092 180 S CA -0.597 57.395 58.200 -0.346 0.000 0.980 180 S CB 0.565 63.706 63.200 -0.097 0.000 1.048 180 S HN 0.512 nan 8.310 nan 0.000 0.483 181 F N 3.196 123.152 119.950 0.010 0.000 2.772 181 F HA 0.397 4.923 4.527 -0.000 0.000 0.302 181 F C 0.227 176.052 175.800 0.042 0.000 1.136 181 F CA -1.465 56.516 58.000 -0.031 0.000 1.322 181 F CB -0.419 38.514 39.000 -0.111 0.000 0.967 181 F HN 0.585 nan 8.300 nan 0.000 0.513 182 F N 3.673 123.662 119.950 0.065 0.000 2.629 182 F HA 0.077 4.604 4.527 -0.000 0.000 0.369 182 F C -1.271 174.578 175.800 0.082 0.000 1.125 182 F CA -1.716 56.316 58.000 0.054 0.000 1.330 182 F CB 0.727 39.728 39.000 0.001 0.000 1.071 182 F HN -0.087 nan 8.300 nan 0.000 0.595 183 P HA -0.136 nan 4.420 nan 0.000 0.218 183 P C 0.001 177.295 177.300 -0.010 0.000 1.146 183 P CA 1.637 64.625 63.100 -0.186 0.000 0.813 183 P CB -0.098 31.430 31.700 -0.286 0.000 0.778 187 L N 1.598 122.773 121.223 -0.080 0.000 2.276 187 L HA 0.781 5.121 4.340 -0.000 0.000 0.286 187 L C -0.199 176.652 176.870 -0.032 0.000 1.024 187 L CA -0.203 54.431 54.840 -0.344 0.000 0.826 187 L CB 0.959 42.533 42.059 -0.809 0.000 1.211 187 L HN 0.225 nan 8.230 nan 0.000 0.422 188 G N 3.417 112.193 108.800 -0.040 0.000 2.620 188 G HA2 0.566 4.526 3.960 -0.000 0.000 0.301 188 G HA3 0.566 4.526 3.960 -0.000 0.000 0.301 188 G C -0.446 174.413 174.900 -0.069 0.000 1.347 188 G CA -0.232 44.891 45.100 0.039 0.000 0.971 188 G HN 0.960 nan 8.290 nan 0.000 0.488 189 C N -0.720 118.552 119.300 -0.046 0.000 2.370 189 C HA 0.658 5.118 4.460 -0.000 0.000 0.371 189 C C 0.523 175.532 174.990 0.030 0.000 2.631 189 C CA -1.056 57.871 59.018 -0.151 0.000 1.819 189 C CB -0.165 27.490 27.740 -0.142 0.000 2.131 189 C HN 0.686 nan 8.230 nan 0.000 0.400 190 Y N 1.146 121.397 120.300 -0.082 0.000 2.764 190 Y HA 0.530 5.080 4.550 -0.000 0.000 0.350 190 Y C 1.101 176.951 175.900 -0.083 0.000 0.982 190 Y CA 0.092 58.140 58.100 -0.087 0.000 1.431 190 Y CB -0.059 38.360 38.460 -0.067 0.000 1.326 190 Y HN 1.139 nan 8.280 nan 0.000 0.550 191 G N -0.659 108.169 108.800 0.047 0.000 2.336 191 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.286 191 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.286 191 G C -1.988 172.918 174.900 0.010 0.000 1.269 191 G CA -0.949 44.157 45.100 0.010 0.000 0.873 191 G HN -0.040 nan 8.290 nan 0.000 0.494 192 D N 0.417 120.854 120.400 0.061 0.000 2.302 192 D HA 0.561 5.201 4.640 -0.000 0.000 0.248 192 D C 0.410 176.779 176.300 0.116 0.000 1.094 192 D CA 1.154 55.227 54.000 0.121 0.000 0.897 192 D CB 1.517 42.397 40.800 0.133 0.000 1.200 192 D HN 0.905 nan 8.370 nan 0.000 0.429 193 G N -0.422 108.468 108.800 0.151 0.000 2.632 193 G HA2 0.612 4.572 3.960 -0.000 0.000 0.292 193 G HA3 0.612 4.572 3.960 -0.000 0.000 0.292 193 G C -0.942 174.021 174.900 0.104 0.000 1.465 193 G CA -0.423 44.790 45.100 0.188 0.000 0.824 193 G HN 0.614 nan 8.290 nan 0.000 0.509 194 G N -1.495 107.327 108.800 0.036 0.000 2.600 194 G HA2 1.017 4.977 3.960 -0.000 0.000 0.293 194 G HA3 1.017 4.977 3.960 -0.000 0.000 0.293 194 G C -1.171 173.572 174.900 -0.262 0.000 1.408 194 G CA 0.323 45.219 45.100 -0.341 0.000 0.782 194 G HN 2.033 nan 8.290 nan 0.000 0.482 195 A N -0.953 121.646 122.820 -0.367 0.000 2.612 195 A HA 0.831 5.151 4.320 -0.000 0.000 0.293 195 A C -1.568 175.858 177.584 -0.263 0.000 1.075 195 A CA -0.543 51.328 52.037 -0.277 0.000 0.680 195 A CB 1.199 20.035 19.000 -0.273 0.000 1.279 195 A HN 0.902 nan 8.150 nan 0.000 0.411 196 I N 0.226 120.583 120.570 -0.355 0.000 2.569 196 I HA 0.636 4.806 4.170 -0.000 0.000 0.296 196 I C -1.426 174.436 176.117 -0.425 0.000 1.028 196 I CA -0.383 60.790 61.300 -0.212 0.000 1.082 196 I CB 2.024 39.959 38.000 -0.109 0.000 1.264 196 I HN 0.546 nan 8.210 nan 0.000 0.429 197 F N 2.612 122.607 119.950 0.075 0.000 2.540 197 F HA 0.715 5.242 4.527 -0.000 0.000 0.317 197 F C 0.198 176.055 175.800 0.095 0.000 1.104 197 F CA -0.605 57.461 58.000 0.109 0.000 0.913 197 F CB 2.346 41.421 39.000 0.126 0.000 1.170 197 F HN 0.273 nan 8.300 nan 0.000 0.450 198 T N 0.678 115.415 114.554 0.305 0.000 2.802 198 T HA 0.290 4.640 4.350 -0.000 0.000 0.311 198 T C -0.301 174.572 174.700 0.289 0.000 1.405 198 T CA -0.630 61.611 62.100 0.235 0.000 1.016 198 T CB 1.320 70.281 68.868 0.156 0.000 1.352 198 T HN 0.572 nan 8.240 nan 0.000 0.498 199 N N 1.306 120.131 118.700 0.210 0.000 2.254 199 N HA 0.131 4.871 4.740 -0.000 0.000 0.190 199 N C -0.517 175.140 175.510 0.244 0.000 1.107 199 N CA 0.101 53.266 53.050 0.192 0.000 0.869 199 N CB 0.372 38.917 38.487 0.097 0.000 0.983 199 N HN 0.643 nan 8.380 nan 0.000 0.487 200 D N 0.755 121.284 120.400 0.215 0.000 2.280 200 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 200 D C 0.664 177.041 176.300 0.128 0.000 1.129 200 D CA -0.353 53.737 54.000 0.150 0.000 0.848 200 D CB 1.022 41.869 40.800 0.079 0.000 1.107 200 D HN -0.127 nan 8.370 nan 0.000 0.471 201 D N 2.826 123.319 120.400 0.155 0.000 2.106 201 D HA -0.223 4.416 4.640 -0.000 0.000 0.191 201 D C 1.446 177.696 176.300 -0.084 0.000 0.997 201 D CA 1.055 55.086 54.000 0.051 0.000 0.834 201 D CB 0.030 40.894 40.800 0.107 0.000 0.956 201 D HN 0.714 nan 8.370 nan 0.000 0.448 202 E N -0.037 120.147 120.200 -0.027 0.000 2.051 202 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 202 E C 2.192 178.757 176.600 -0.060 0.000 0.991 202 E CA 0.437 56.815 56.400 -0.037 0.000 0.799 202 E CB -0.099 29.596 29.700 -0.008 0.000 0.748 202 E HN 0.047 nan 8.360 nan 0.000 0.449 203 L N 0.911 122.105 121.223 -0.048 0.000 2.046 203 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 203 L C 2.318 179.125 176.870 -0.105 0.000 1.077 203 L CA 2.139 56.949 54.840 -0.050 0.000 0.747 203 L CB -0.722 41.329 42.059 -0.013 0.000 0.896 203 L HN 0.213 nan 8.230 nan 0.000 0.432 204 A N -1.853 120.847 122.820 -0.200 0.000 1.933 204 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 204 A C 2.252 179.666 177.584 -0.284 0.000 1.175 204 A CA 2.247 54.077 52.037 -0.346 0.000 0.628 204 A CB -1.124 17.331 19.000 -0.908 0.000 0.814 204 A HN 0.504 nan 8.150 nan 0.000 0.444 205 T N 0.385 114.795 114.554 -0.239 0.000 2.674 205 T HA -0.047 4.303 4.350 -0.000 0.000 0.265 205 T C 2.264 176.907 174.700 -0.096 0.000 1.039 205 T CA 1.735 63.745 62.100 -0.149 0.000 1.150 205 T CB -0.531 68.275 68.868 -0.104 0.000 0.864 205 T HN 0.609 nan 8.240 nan 0.000 0.427 206 A N 1.107 123.880 122.820 -0.078 0.000 1.877 206 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 206 A C 2.318 179.871 177.584 -0.052 0.000 1.186 206 A CA 1.371 53.378 52.037 -0.050 0.000 0.620 206 A CB -0.883 18.095 19.000 -0.037 0.000 0.822 206 A HN 0.512 nan 8.150 nan 0.000 0.443 207 I N -0.933 119.596 120.570 -0.068 0.000 2.163 207 I HA -0.297 3.872 4.170 -0.000 0.000 0.243 207 I C 2.817 178.893 176.117 -0.068 0.000 1.085 207 I CA 1.606 62.867 61.300 -0.065 0.000 1.347 207 I CB -0.315 37.642 38.000 -0.072 0.000 1.044 207 I HN 0.285 nan 8.210 nan 0.000 0.408 208 R N 0.208 120.657 120.500 -0.084 0.000 2.081 208 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 208 R C 2.348 178.617 176.300 -0.050 0.000 1.131 208 R CA 1.393 57.450 56.100 -0.072 0.000 0.960 208 R CB -0.280 29.968 30.300 -0.087 0.000 0.856 208 R HN 0.495 nan 8.270 nan 0.000 0.436 209 Q N 0.287 120.062 119.800 -0.043 0.000 2.046 209 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 209 Q C 2.190 178.185 176.000 -0.009 0.000 0.975 209 Q CA 1.308 57.100 55.803 -0.019 0.000 0.836 209 Q CB -0.112 28.619 28.738 -0.011 0.000 0.896 209 Q HN 0.349 nan 8.270 nan 0.000 0.428 210 I N 0.870 121.427 120.570 -0.022 0.000 2.208 210 I HA -0.294 3.875 4.170 -0.000 0.000 0.245 210 I C 2.332 178.414 176.117 -0.059 0.000 1.097 210 I CA 1.032 62.316 61.300 -0.027 0.000 1.363 210 I CB -0.345 37.637 38.000 -0.030 0.000 1.051 210 I HN 0.170 nan 8.210 nan 0.000 0.413 211 A N 0.365 123.146 122.820 -0.066 0.000 2.070 211 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 211 A C 1.745 179.257 177.584 -0.122 0.000 1.159 211 A CA 1.161 53.144 52.037 -0.090 0.000 0.656 211 A CB -0.354 18.604 19.000 -0.069 0.000 0.800 211 A HN 0.387 nan 8.150 nan 0.000 0.453 212 R N -0.706 119.749 120.500 -0.075 0.000 3.135 212 R HA 0.215 4.555 4.340 -0.000 0.000 0.343 212 R C -0.711 175.653 176.300 0.108 0.000 1.227 212 R CA -0.440 55.648 56.100 -0.020 0.000 1.227 212 R CB -0.048 30.267 30.300 0.025 0.000 1.436 212 R HN 0.559 nan 8.270 nan 0.000 0.595 213 H N -0.411 118.705 119.070 0.077 0.000 2.820 213 H HA -0.173 4.383 4.556 -0.000 0.000 0.295 213 H C 1.022 176.467 175.328 0.193 0.000 1.187 213 H CA 1.097 57.212 56.048 0.112 0.000 1.144 213 H CB -1.342 28.497 29.762 0.128 0.000 1.354 213 H HN 0.854 nan 8.280 nan 0.000 0.395 214 G N 0.523 109.423 108.800 0.167 0.000 2.203 214 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.263 214 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.263 214 G C 0.160 175.129 174.900 0.115 0.000 1.012 214 G CA 0.871 46.044 45.100 0.122 0.000 0.749 214 G HN 0.742 nan 8.290 nan 0.000 0.512 215 Q N 0.253 120.106 119.800 0.089 0.000 2.304 215 Q HA 0.368 4.707 4.340 -0.000 0.000 0.260 215 Q C 1.341 177.320 176.000 -0.035 0.000 0.965 215 Q CA 0.271 56.025 55.803 -0.081 0.000 0.898 215 Q CB 0.515 29.170 28.738 -0.139 0.000 1.196 215 Q HN 0.445 nan 8.270 nan 0.000 0.402 216 D N 4.051 124.445 120.400 -0.010 0.000 2.379 216 D HA 0.006 4.645 4.640 -0.000 0.000 0.218 216 D C 0.099 176.397 176.300 -0.003 0.000 1.006 216 D CA 0.413 54.425 54.000 0.019 0.000 0.893 216 D CB 0.373 41.215 40.800 0.071 0.000 1.019 216 D HN 0.625 nan 8.370 nan 0.000 0.503 217 R N -0.887 119.609 120.500 -0.007 0.000 2.764 217 R HA 0.460 4.800 4.340 -0.000 0.000 0.270 217 R C -0.552 175.692 176.300 -0.092 0.000 1.014 217 R CA -1.018 55.052 56.100 -0.049 0.000 0.904 217 R CB 1.500 31.769 30.300 -0.051 0.000 1.236 217 R HN -0.216 nan 8.270 nan 0.000 0.466 218 R N 1.180 121.582 120.500 -0.163 0.000 2.523 218 R HA -0.117 4.223 4.340 -0.000 0.000 0.281 218 R C -0.594 175.554 176.300 -0.254 0.000 0.969 218 R CA 1.183 57.074 56.100 -0.348 0.000 1.093 218 R CB -0.019 29.955 30.300 -0.544 0.000 0.917 218 R HN 0.812 nan 8.270 nan 0.000 0.408 219 Y N -1.512 118.763 120.300 -0.042 0.000 4.884 219 Y HA -0.320 4.230 4.550 -0.000 0.000 0.276 219 Y C -0.102 175.796 175.900 -0.004 0.000 0.915 219 Y CA 1.503 59.607 58.100 0.008 0.000 1.768 219 Y CB -1.883 36.603 38.460 0.043 0.000 1.172 219 Y HN 0.717 nan 8.280 nan 0.000 0.470 220 H N 1.541 120.512 119.070 -0.165 0.000 2.658 220 H HA 0.431 4.987 4.556 -0.000 0.000 0.337 220 H C -0.755 174.389 175.328 -0.308 0.000 1.009 220 H CA -0.456 55.519 56.048 -0.121 0.000 1.231 220 H CB 0.773 30.517 29.762 -0.031 0.000 1.508 220 H HN 0.266 nan 8.280 nan 0.000 0.517 221 H N 7.301 126.225 119.070 -0.243 0.000 2.638 221 H HA 0.126 4.682 4.556 -0.000 0.000 0.317 221 H C 1.216 176.417 175.328 -0.212 0.000 1.006 221 H CA -0.318 55.647 56.048 -0.138 0.000 1.222 221 H CB 1.939 31.664 29.762 -0.062 0.000 1.419 221 H HN 0.679 nan 8.280 nan 0.000 0.489 222 I N 0.259 120.806 120.570 -0.038 0.000 3.854 222 I HA 0.206 4.376 4.170 -0.000 0.000 0.312 222 I C 0.677 176.798 176.117 0.007 0.000 1.273 222 I CA 0.080 61.361 61.300 -0.032 0.000 1.298 222 I CB 0.352 38.367 38.000 0.025 0.000 1.071 222 I HN 0.229 nan 8.210 nan 0.000 0.428 223 R N 0.373 120.891 120.500 0.030 0.000 2.799 223 R HA 0.638 4.978 4.340 -0.000 0.000 0.270 223 R C -1.267 175.055 176.300 0.038 0.000 1.010 223 R CA -0.894 55.221 56.100 0.026 0.000 0.916 223 R CB 1.564 31.875 30.300 0.018 0.000 1.228 223 R HN -0.126 nan 8.270 nan 0.000 0.469 224 V N 1.662 121.589 119.914 0.022 0.000 2.529 224 V HA 0.339 4.459 4.120 -0.000 0.000 0.292 224 V C 0.750 176.858 176.094 0.024 0.000 1.028 224 V CA 1.098 63.411 62.300 0.021 0.000 1.074 224 V CB 0.587 32.415 31.823 0.007 0.000 0.958 224 V HN 0.924 nan 8.190 nan 0.000 0.481 225 G N 3.565 112.388 108.800 0.039 0.000 3.243 225 G HA2 0.854 4.814 3.960 -0.000 0.000 0.248 225 G HA3 0.854 4.814 3.960 -0.000 0.000 0.248 225 G C -0.732 174.156 174.900 -0.021 0.000 1.267 225 G CA 0.051 45.158 45.100 0.012 0.000 0.906 225 G HN 1.122 nan 8.290 nan 0.000 0.592 226 V N -2.822 117.016 119.914 -0.127 0.000 3.181 226 V HA 0.752 4.872 4.120 -0.000 0.000 0.307 226 V C -1.370 174.426 176.094 -0.496 0.000 1.310 226 V CA -1.278 60.908 62.300 -0.188 0.000 1.067 226 V CB 1.881 33.641 31.823 -0.105 0.000 1.081 226 V HN 0.688 nan 8.190 nan 0.000 0.453 227 N N 1.364 119.834 118.700 -0.383 0.000 2.527 227 N HA 0.542 5.282 4.740 -0.000 0.000 0.236 227 N C -1.063 174.363 175.510 -0.140 0.000 0.999 227 N CA 0.282 53.129 53.050 -0.338 0.000 0.935 227 N CB 1.188 39.607 38.487 -0.114 0.000 1.132 227 N HN 0.935 nan 8.380 nan 0.000 0.511 228 S N 3.881 119.507 115.700 -0.123 0.000 2.620 228 S HA 0.519 4.989 4.470 -0.000 0.000 0.244 228 S C -1.022 173.552 174.600 -0.044 0.000 1.192 228 S CA -0.691 57.472 58.200 -0.063 0.000 1.148 228 S CB 0.130 63.293 63.200 -0.060 0.000 1.106 228 S HN 0.583 nan 8.310 nan 0.000 0.474 229 R N 1.849 122.338 120.500 -0.018 0.000 2.795 229 R HA 0.533 4.873 4.340 -0.000 0.000 0.275 229 R C -1.462 174.847 176.300 0.016 0.000 0.981 229 R CA -1.017 55.081 56.100 -0.003 0.000 0.917 229 R CB 1.688 31.993 30.300 0.007 0.000 1.202 229 R HN 0.456 nan 8.270 nan 0.000 0.469 230 L N 2.340 123.576 121.223 0.021 0.000 2.265 230 L HA 0.238 4.578 4.340 -0.000 0.000 0.288 230 L C -0.731 176.157 176.870 0.030 0.000 1.058 230 L CA -0.167 54.693 54.840 0.035 0.000 0.809 230 L CB 0.695 42.780 42.059 0.043 0.000 1.179 230 L HN 0.433 nan 8.230 nan 0.000 0.429 231 D N 3.300 123.722 120.400 0.037 0.000 2.488 231 D HA -0.015 4.625 4.640 -0.000 0.000 0.238 231 D C 1.263 177.591 176.300 0.046 0.000 1.138 231 D CA 0.343 54.374 54.000 0.051 0.000 0.873 231 D CB 1.097 41.928 40.800 0.051 0.000 1.183 231 D HN 0.677 nan 8.370 nan 0.000 0.458 232 T N 2.109 116.709 114.554 0.076 0.000 2.699 232 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 232 T C 2.116 176.849 174.700 0.056 0.000 1.036 232 T CA 0.830 62.974 62.100 0.073 0.000 1.147 232 T CB -0.123 68.818 68.868 0.122 0.000 0.862 232 T HN 0.339 nan 8.240 nan 0.000 0.446 233 L N 0.656 121.926 121.223 0.077 0.000 2.042 233 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 233 L C 3.023 179.885 176.870 -0.014 0.000 1.076 233 L CA 1.136 56.002 54.840 0.043 0.000 0.749 233 L CB -0.467 41.629 42.059 0.062 0.000 0.893 233 L HN 0.219 nan 8.230 nan 0.000 0.432 234 Q N -0.567 119.220 119.800 -0.021 0.000 2.123 234 Q HA -0.099 4.241 4.340 -0.000 0.000 0.199 234 Q C 2.400 178.314 176.000 -0.142 0.000 0.966 234 Q CA 1.527 57.283 55.803 -0.078 0.000 0.845 234 Q CB -0.359 28.356 28.738 -0.040 0.000 0.907 234 Q HN 0.525 nan 8.270 nan 0.000 0.439 235 A N 1.124 123.881 122.820 -0.104 0.000 1.902 235 A HA -0.055 4.264 4.320 -0.000 0.000 0.217 235 A C 2.326 179.831 177.584 -0.132 0.000 1.181 235 A CA 1.782 53.737 52.037 -0.136 0.000 0.623 235 A CB -0.606 18.346 19.000 -0.079 0.000 0.818 235 A HN 0.346 nan 8.150 nan 0.000 0.443 236 A N -0.167 122.603 122.820 -0.084 0.000 1.933 236 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 236 A C 2.088 179.597 177.584 -0.124 0.000 1.175 236 A CA 1.509 53.502 52.037 -0.074 0.000 0.628 236 A CB -0.568 18.413 19.000 -0.032 0.000 0.814 236 A HN 0.493 nan 8.150 nan 0.000 0.444 237 I N -0.573 119.891 120.570 -0.177 0.000 2.252 237 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 237 I C 2.231 178.150 176.117 -0.331 0.000 1.102 237 I CA 0.989 62.112 61.300 -0.295 0.000 1.385 237 I CB -0.195 37.544 38.000 -0.435 0.000 1.064 237 I HN 0.263 nan 8.210 nan 0.000 0.414 238 L N -0.110 120.917 121.223 -0.326 0.000 2.217 238 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 238 L C 2.397 179.102 176.870 -0.275 0.000 1.107 238 L CA 0.795 55.412 54.840 -0.373 0.000 0.783 238 L CB -0.312 41.431 42.059 -0.526 0.000 0.919 238 L HN 0.261 nan 8.230 nan 0.000 0.442 239 L N 0.211 121.316 121.223 -0.196 0.000 1.989 239 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 239 L C -0.158 176.661 176.870 -0.085 0.000 1.071 239 L CA 1.595 56.362 54.840 -0.122 0.000 0.749 239 L CB -1.736 40.275 42.059 -0.080 0.000 0.890 239 L HN 0.242 nan 8.230 nan 0.000 0.431 240 P HA -0.137 nan 4.420 nan 0.000 0.221 240 P C 1.182 178.464 177.300 -0.031 0.000 1.150 240 P CA 1.324 64.399 63.100 -0.041 0.000 0.800 240 P CB 0.031 31.706 31.700 -0.040 0.000 0.787 241 K N -0.536 119.813 120.400 -0.085 0.000 2.057 241 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 241 K C 2.071 178.656 176.600 -0.025 0.000 1.050 241 K CA 0.825 57.072 56.287 -0.066 0.000 0.935 241 K CB -0.721 31.679 32.500 -0.167 0.000 0.715 241 K HN 0.035 nan 8.250 nan 0.000 0.439 242 L N 1.791 122.962 121.223 -0.086 0.000 2.093 242 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 242 L C 2.111 179.047 176.870 0.109 0.000 1.085 242 L CA 1.726 56.547 54.840 -0.032 0.000 0.755 242 L CB -0.323 41.674 42.059 -0.104 0.000 0.904 242 L HN 0.175 nan 8.230 nan 0.000 0.435 243 E N -0.070 120.175 120.200 0.076 0.000 2.160 243 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 243 E C 1.907 178.587 176.600 0.134 0.000 0.991 243 E CA 1.729 58.189 56.400 0.101 0.000 0.810 243 E CB -0.201 29.535 29.700 0.061 0.000 0.742 243 E HN 0.768 nan 8.360 nan 0.000 0.466 244 I N -2.315 118.343 120.570 0.147 0.000 3.928 244 I HA 0.152 4.322 4.170 -0.000 0.000 0.335 244 I C 1.530 177.783 176.117 0.227 0.000 1.325 244 I CA -0.364 61.036 61.300 0.166 0.000 1.107 244 I CB 0.005 38.100 38.000 0.157 0.000 1.014 244 I HN -0.061 nan 8.210 nan 0.000 0.400 245 F N 2.923 122.918 119.950 0.076 0.000 2.113 245 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 245 F C 2.337 178.210 175.800 0.122 0.000 1.103 245 F CA 2.040 60.087 58.000 0.078 0.000 1.248 245 F CB -0.155 38.854 39.000 0.016 0.000 0.999 245 F HN 0.159 nan 8.300 nan 0.000 0.475 246 E N 0.608 120.839 120.200 0.051 0.000 2.110 246 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 246 E C 2.223 178.784 176.600 -0.065 0.000 0.988 246 E CA 1.623 57.997 56.400 -0.043 0.000 0.804 246 E CB -0.484 29.281 29.700 0.108 0.000 0.745 246 E HN 0.609 nan 8.360 nan 0.000 0.458 247 E N 0.170 120.373 120.200 0.006 0.000 2.085 247 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 247 E C 1.778 178.352 176.600 -0.043 0.000 0.994 247 E CA 1.438 57.838 56.400 0.001 0.000 0.801 247 E CB -0.049 29.681 29.700 0.050 0.000 0.743 247 E HN 0.399 nan 8.360 nan 0.000 0.453 248 E N 0.135 120.311 120.200 -0.041 0.000 2.150 248 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 248 E C 2.220 178.743 176.600 -0.129 0.000 0.985 248 E CA 0.853 57.202 56.400 -0.085 0.000 0.814 248 E CB -0.038 29.694 29.700 0.052 0.000 0.752 248 E HN 0.400 nan 8.360 nan 0.000 0.466 249 I N 1.239 121.674 120.570 -0.225 0.000 2.226 249 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 249 I C 2.582 178.645 176.117 -0.091 0.000 1.100 249 I CA 1.023 62.204 61.300 -0.198 0.000 1.374 249 I CB -0.350 37.462 38.000 -0.314 0.000 1.057 249 I HN 0.080 nan 8.210 nan 0.000 0.413 250 A N 0.727 123.492 122.820 -0.091 0.000 1.902 250 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 250 A C 2.162 179.704 177.584 -0.069 0.000 1.181 250 A CA 1.354 53.355 52.037 -0.061 0.000 0.623 250 A CB -0.670 18.299 19.000 -0.051 0.000 0.818 250 A HN 0.279 nan 8.150 nan 0.000 0.443 251 L N -0.186 120.978 121.223 -0.098 0.000 2.042 251 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 251 L C 2.567 179.353 176.870 -0.141 0.000 1.076 251 L CA 1.804 56.563 54.840 -0.135 0.000 0.749 251 L CB -1.100 40.830 42.059 -0.215 0.000 0.893 251 L HN 0.379 nan 8.230 nan 0.000 0.432 252 R N -1.208 119.229 120.500 -0.105 0.000 2.096 252 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 252 R C 2.175 178.429 176.300 -0.078 0.000 1.127 252 R CA 0.907 56.967 56.100 -0.067 0.000 0.968 252 R CB -0.195 30.139 30.300 0.056 0.000 0.861 252 R HN 0.419 nan 8.270 nan 0.000 0.440 253 Q N 0.880 120.672 119.800 -0.014 0.000 2.096 253 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 253 Q C 1.826 177.777 176.000 -0.082 0.000 0.982 253 Q CA 1.538 57.342 55.803 0.002 0.000 0.850 253 Q CB -0.138 28.619 28.738 0.031 0.000 0.901 253 Q HN 0.368 nan 8.270 nan 0.000 0.422 254 K N 0.025 120.364 120.400 -0.101 0.000 2.057 254 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 254 K C 2.256 178.743 176.600 -0.188 0.000 1.050 254 K CA 1.031 57.246 56.287 -0.120 0.000 0.935 254 K CB -0.087 32.350 32.500 -0.105 0.000 0.715 254 K HN -0.019 nan 8.250 nan 0.000 0.439 255 V N 1.687 121.457 119.914 -0.241 0.000 2.255 255 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 255 V C 2.415 178.268 176.094 -0.402 0.000 1.051 255 V CA 2.203 64.286 62.300 -0.360 0.000 1.018 255 V CB -0.777 30.827 31.823 -0.365 0.000 0.641 255 V HN 0.373 nan 8.190 nan 0.000 0.445 256 A N -0.178 122.422 122.820 -0.366 0.000 1.933 256 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 256 A C 2.423 179.941 177.584 -0.110 0.000 1.175 256 A CA 2.111 53.941 52.037 -0.345 0.000 0.628 256 A CB -0.791 17.662 19.000 -0.912 0.000 0.814 256 A HN 0.599 nan 8.150 nan 0.000 0.444 257 A N -0.172 122.583 122.820 -0.110 0.000 1.902 257 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 257 A C 1.945 179.496 177.584 -0.055 0.000 1.181 257 A CA 1.680 53.691 52.037 -0.043 0.000 0.623 257 A CB -0.531 18.441 19.000 -0.046 0.000 0.818 257 A HN 0.644 nan 8.150 nan 0.000 0.443 258 E N -1.292 118.825 120.200 -0.140 0.000 2.051 258 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 258 E C 1.882 178.407 176.600 -0.124 0.000 0.991 258 E CA 1.424 57.725 56.400 -0.164 0.000 0.799 258 E CB -0.351 29.188 29.700 -0.268 0.000 0.748 258 E HN 0.829 nan 8.360 nan 0.000 0.449 259 Y N 1.404 121.569 120.300 -0.224 0.000 2.081 259 Y HA -0.273 4.277 4.550 -0.000 0.000 0.280 259 Y C 2.340 178.216 175.900 -0.040 0.000 1.163 259 Y CA 0.893 58.845 58.100 -0.246 0.000 1.135 259 Y CB -0.020 38.016 38.460 -0.706 0.000 0.970 259 Y HN 0.037 nan 8.280 nan 0.000 0.498 260 D N 0.063 120.590 120.400 0.211 0.000 2.116 260 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 260 D C 2.006 178.375 176.300 0.115 0.000 0.998 260 D CA 1.163 55.280 54.000 0.195 0.000 0.836 260 D CB -0.542 40.356 40.800 0.164 0.000 0.951 260 D HN 0.211 nan 8.370 nan 0.000 0.449 261 L N 0.058 121.322 121.223 0.067 0.000 2.046 261 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 261 L C 2.245 179.141 176.870 0.043 0.000 1.077 261 L CA 1.634 56.499 54.840 0.041 0.000 0.747 261 L CB -0.646 41.419 42.059 0.011 0.000 0.896 261 L HN -0.058 nan 8.230 nan 0.000 0.432 262 S N -1.058 114.670 115.700 0.047 0.000 2.357 262 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 262 S C 1.972 176.612 174.600 0.067 0.000 1.031 262 S CA 1.296 59.524 58.200 0.047 0.000 0.982 262 S CB -0.353 62.872 63.200 0.041 0.000 0.853 262 S HN 0.464 nan 8.310 nan 0.000 0.458 263 L N 0.799 122.081 121.223 0.098 0.000 2.109 263 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 263 L C 2.618 179.538 176.870 0.084 0.000 1.086 263 L CA 1.096 55.995 54.840 0.099 0.000 0.760 263 L CB -0.440 41.700 42.059 0.134 0.000 0.910 263 L HN 0.256 nan 8.230 nan 0.000 0.437 264 K N -0.331 120.121 120.400 0.087 0.000 2.209 264 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 264 K C 2.176 178.808 176.600 0.054 0.000 1.048 264 K CA 0.879 57.209 56.287 0.073 0.000 0.940 264 K CB -0.000 32.545 32.500 0.075 0.000 0.729 264 K HN 0.258 nan 8.250 nan 0.000 0.451 265 Q N 0.014 119.843 119.800 0.048 0.000 2.230 265 Q HA -0.058 4.281 4.340 -0.000 0.000 0.202 265 Q C 1.657 177.678 176.000 0.034 0.000 0.963 265 Q CA 0.982 56.807 55.803 0.036 0.000 0.866 265 Q CB 0.287 29.044 28.738 0.031 0.000 0.931 265 Q HN 0.134 nan 8.270 nan 0.000 0.452 266 V N -0.739 119.198 119.914 0.039 0.000 3.542 266 V HA 0.219 4.339 4.120 -0.000 0.000 0.296 266 V C 1.087 177.202 176.094 0.035 0.000 1.364 266 V CA 0.643 62.964 62.300 0.034 0.000 1.118 266 V CB -0.001 31.843 31.823 0.035 0.000 0.972 266 V HN 0.417 nan 8.190 nan 0.000 0.430 267 G N 1.177 110.001 108.800 0.039 0.000 2.147 267 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 267 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 267 G C 0.062 174.987 174.900 0.041 0.000 1.005 267 G CA 0.147 45.269 45.100 0.037 0.000 0.713 267 G HN 0.509 nan 8.290 nan 0.000 0.515 268 I N 1.121 121.721 120.570 0.050 0.000 2.474 268 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 268 I C 1.490 177.645 176.117 0.063 0.000 1.048 268 I CA 0.179 61.511 61.300 0.054 0.000 1.383 268 I CB 1.271 39.307 38.000 0.059 0.000 1.412 268 I HN 0.126 nan 8.210 nan 0.000 0.531 269 G N 4.781 113.614 108.800 0.056 0.000 2.690 269 G HA2 0.201 4.161 3.960 -0.000 0.000 0.294 269 G HA3 0.201 4.161 3.960 -0.000 0.000 0.294 269 G C 0.460 175.400 174.900 0.067 0.000 0.793 269 G CA -0.416 44.721 45.100 0.061 0.000 1.818 269 G HN 0.704 nan 8.290 nan 0.000 0.515 270 T N 1.278 115.879 114.554 0.079 0.000 2.898 270 T HA 0.428 4.778 4.350 -0.000 0.000 0.301 270 T C -2.113 172.604 174.700 0.028 0.000 1.049 270 T CA -1.505 60.626 62.100 0.052 0.000 1.095 270 T CB 1.603 70.552 68.868 0.137 0.000 0.976 270 T HN 0.235 nan 8.240 nan 0.000 0.539 271 P HA 0.161 nan 4.420 nan 0.000 0.267 271 P C -0.864 176.518 177.300 0.138 0.000 1.209 271 P CA -0.410 62.706 63.100 0.027 0.000 0.763 271 P CB -0.026 31.586 31.700 -0.146 0.000 0.816 272 F N 5.500 125.479 119.950 0.048 0.000 2.445 272 F HA 0.259 4.786 4.527 -0.000 0.000 0.359 272 F C -0.124 175.704 175.800 0.047 0.000 1.101 272 F CA -0.426 57.595 58.000 0.034 0.000 1.177 272 F CB 0.311 39.304 39.000 -0.011 0.000 1.110 272 F HN 0.133 nan 8.300 nan 0.000 0.522 273 I N 6.032 126.340 120.570 -0.437 0.000 2.378 273 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 273 I C 0.093 175.857 176.117 -0.590 0.000 0.992 273 I CA -0.927 60.181 61.300 -0.319 0.000 1.154 273 I CB 1.144 39.048 38.000 -0.160 0.000 1.315 273 I HN 0.531 nan 8.210 nan 0.000 0.448 274 E N 4.104 124.134 120.200 -0.283 0.000 2.481 274 E HA -0.016 4.334 4.350 -0.000 0.000 0.263 274 E C 1.382 177.883 176.600 -0.165 0.000 0.992 274 E CA 0.066 56.370 56.400 -0.160 0.000 0.938 274 E CB 1.707 31.449 29.700 0.070 0.000 0.933 274 E HN 0.561 nan 8.360 nan 0.000 0.453 275 V N 0.830 120.664 119.914 -0.133 0.000 2.568 275 V HA -0.266 3.854 4.120 -0.000 0.000 0.253 275 V C 0.857 176.904 176.094 -0.078 0.000 1.072 275 V CA 1.930 64.168 62.300 -0.104 0.000 1.084 275 V CB -0.517 31.268 31.823 -0.063 0.000 0.676 275 V HN 0.487 nan 8.190 nan 0.000 0.469 276 N N 0.552 119.204 118.700 -0.079 0.000 2.238 276 N HA 0.217 4.957 4.740 -0.000 0.000 0.222 276 N C -0.328 175.119 175.510 -0.105 0.000 1.133 276 N CA -0.197 52.794 53.050 -0.099 0.000 0.854 276 N CB 0.066 38.476 38.487 -0.128 0.000 1.041 276 N HN 0.461 nan 8.380 nan 0.000 0.510 277 N N 0.726 119.388 118.700 -0.064 0.000 2.417 277 N HA 0.431 5.170 4.740 -0.000 0.000 0.300 277 N C -0.887 174.607 175.510 -0.027 0.000 1.102 277 N CA -0.345 52.695 53.050 -0.017 0.000 0.886 277 N CB 1.684 40.193 38.487 0.037 0.000 1.203 277 N HN 0.007 nan 8.380 nan 0.000 0.496 278 I N 0.488 121.051 120.570 -0.012 0.000 2.382 278 I HA 0.197 4.367 4.170 -0.000 0.000 0.286 278 I C 0.296 176.393 176.117 -0.034 0.000 1.002 278 I CA -0.572 60.717 61.300 -0.018 0.000 1.135 278 I CB 1.502 39.492 38.000 -0.017 0.000 1.288 278 I HN 0.283 nan 8.210 nan 0.000 0.448 279 S N 4.281 119.912 115.700 -0.114 0.000 2.586 279 S HA 0.273 4.743 4.470 -0.000 0.000 0.274 279 S C 0.963 175.486 174.600 -0.130 0.000 1.281 279 S CA -0.752 57.307 58.200 -0.235 0.000 1.035 279 S CB 1.473 64.273 63.200 -0.668 0.000 0.962 279 S HN 0.492 nan 8.310 nan 0.000 0.512 280 V N 2.549 122.450 119.914 -0.022 0.000 3.649 280 V HA 0.335 4.455 4.120 -0.000 0.000 0.275 280 V C -0.044 176.195 176.094 0.243 0.000 1.281 280 V CA -0.010 62.367 62.300 0.129 0.000 1.143 280 V CB -2.038 29.900 31.823 0.192 0.000 0.892 280 V HN 0.988 nan 8.190 nan 0.000 0.441 281 Y N 0.090 120.476 120.300 0.143 0.000 3.078 281 Y HA -0.295 4.255 4.550 -0.000 0.000 0.202 281 Y C 1.815 177.800 175.900 0.142 0.000 1.322 281 Y CA 0.255 58.445 58.100 0.151 0.000 1.118 281 Y CB -1.838 36.721 38.460 0.163 0.000 1.343 281 Y HN 0.410 nan 8.280 nan 0.000 0.499 282 A N -0.662 122.300 122.820 0.236 0.000 1.948 282 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 282 A C 1.276 178.956 177.584 0.160 0.000 1.177 282 A CA 1.832 53.989 52.037 0.200 0.000 0.636 282 A CB -0.021 19.088 19.000 0.182 0.000 0.815 282 A HN 0.457 nan 8.150 nan 0.000 0.449 283 Q N -2.828 117.070 119.800 0.165 0.000 2.423 283 Q HA 0.449 4.789 4.340 -0.000 0.000 0.278 283 Q C -1.833 174.234 176.000 0.113 0.000 1.097 283 Q CA -0.574 55.263 55.803 0.058 0.000 0.809 283 Q CB 1.739 30.390 28.738 -0.144 0.000 1.391 283 Q HN 0.397 nan 8.270 nan 0.000 0.428 284 Y N 0.920 121.198 120.300 -0.036 0.000 2.417 284 Y HA 0.352 4.901 4.550 -0.000 0.000 0.336 284 Y C -0.812 174.983 175.900 -0.174 0.000 0.961 284 Y CA -0.121 57.963 58.100 -0.027 0.000 1.215 284 Y CB 1.043 39.440 38.460 -0.105 0.000 1.120 284 Y HN 0.345 nan 8.280 nan 0.000 0.499 285 T N 6.716 121.009 114.554 -0.436 0.000 2.770 285 T HA 0.514 4.863 4.350 -0.000 0.000 0.283 285 T C -0.469 174.076 174.700 -0.259 0.000 0.988 285 T CA -0.609 61.239 62.100 -0.420 0.000 0.957 285 T CB 0.537 68.880 68.868 -0.874 0.000 0.930 285 T HN 0.518 nan 8.240 nan 0.000 0.443 286 V N 1.739 121.578 119.914 -0.125 0.000 2.975 286 V HA 0.700 4.820 4.120 -0.000 0.000 0.318 286 V C -0.202 175.903 176.094 0.019 0.000 1.077 286 V CA -1.410 60.874 62.300 -0.027 0.000 1.000 286 V CB 1.465 33.294 31.823 0.010 0.000 1.066 286 V HN 0.701 nan 8.190 nan 0.000 0.452 287 R N 2.744 123.281 120.500 0.060 0.000 2.312 287 R HA 0.651 4.990 4.340 -0.000 0.000 0.311 287 R C -0.967 175.355 176.300 0.038 0.000 1.004 287 R CA -0.622 55.516 56.100 0.063 0.000 0.902 287 R CB 1.444 31.792 30.300 0.079 0.000 1.073 287 R HN 0.647 nan 8.270 nan 0.000 0.457 288 M N 2.115 121.733 119.600 0.029 0.000 2.326 288 M HA 0.184 4.664 4.480 -0.000 0.000 0.306 288 M C 0.081 176.392 176.300 0.018 0.000 1.054 288 M CA -0.621 54.692 55.300 0.022 0.000 0.922 288 M CB 2.020 34.630 32.600 0.016 0.000 1.632 288 M HN 0.465 nan 8.290 nan 0.000 0.436 289 D N 1.243 121.652 120.400 0.016 0.000 2.120 289 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 289 D C 0.678 176.985 176.300 0.011 0.000 0.972 289 D CA 1.506 55.513 54.000 0.013 0.000 0.837 289 D CB 0.319 41.125 40.800 0.011 0.000 0.989 289 D HN 0.456 nan 8.370 nan 0.000 0.469 290 N N 0.680 119.386 118.700 0.010 0.000 2.920 290 N HA 0.045 4.785 4.740 -0.000 0.000 0.310 290 N C 0.979 176.493 175.510 0.008 0.000 1.384 290 N CA -0.133 52.922 53.050 0.008 0.000 1.083 290 N CB 0.055 38.547 38.487 0.008 0.000 1.389 290 N HN -0.010 nan 8.380 nan 0.000 0.521 291 R N 0.422 120.926 120.500 0.008 0.000 2.119 291 R HA -0.159 4.181 4.340 -0.000 0.000 0.246 291 R C 1.014 177.314 176.300 -0.000 0.000 1.146 291 R CA 1.745 57.848 56.100 0.004 0.000 0.962 291 R CB 0.151 30.453 30.300 0.005 0.000 0.863 291 R HN 0.452 nan 8.270 nan 0.000 0.442 292 E N -0.145 120.055 120.200 0.000 0.000 2.070 292 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 292 E C 2.058 178.657 176.600 -0.001 0.000 1.004 292 E CA 1.792 58.190 56.400 -0.003 0.000 0.805 292 E CB -0.128 29.572 29.700 -0.001 0.000 0.744 292 E HN 0.364 nan 8.360 nan 0.000 0.451 293 S N 0.825 116.527 115.700 0.002 0.000 2.371 293 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 293 S C 2.360 176.963 174.600 0.006 0.000 1.029 293 S CA 0.864 59.067 58.200 0.004 0.000 0.978 293 S CB -0.180 63.024 63.200 0.006 0.000 0.833 293 S HN 0.050 nan 8.310 nan 0.000 0.466 294 V N 2.222 122.140 119.914 0.007 0.000 2.343 294 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 294 V C 2.560 178.660 176.094 0.009 0.000 1.051 294 V CA 1.638 63.944 62.300 0.010 0.000 1.036 294 V CB -0.802 31.028 31.823 0.012 0.000 0.654 294 V HN 0.476 nan 8.190 nan 0.000 0.451 295 Q N -0.226 119.575 119.800 0.002 0.000 2.061 295 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 295 Q C 2.468 178.468 176.000 -0.001 0.000 0.984 295 Q CA 1.935 57.736 55.803 -0.004 0.000 0.846 295 Q CB -0.414 28.312 28.738 -0.020 0.000 0.902 295 Q HN 0.681 nan 8.270 nan 0.000 0.421 296 A N 0.259 123.078 122.820 -0.001 0.000 1.902 296 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 296 A C 2.188 179.777 177.584 0.008 0.000 1.181 296 A CA 1.762 53.800 52.037 0.002 0.000 0.623 296 A CB -0.724 18.277 19.000 0.001 0.000 0.818 296 A HN 0.319 nan 8.150 nan 0.000 0.443 297 S N -0.971 114.735 115.700 0.010 0.000 2.382 297 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 297 S C 1.814 176.425 174.600 0.019 0.000 1.027 297 S CA 1.514 59.723 58.200 0.014 0.000 0.991 297 S CB -0.359 62.849 63.200 0.014 0.000 0.823 297 S HN 0.328 nan 8.310 nan 0.000 0.469 298 L N 1.594 122.830 121.223 0.022 0.000 2.156 298 L HA 0.192 4.532 4.340 -0.000 0.000 0.208 298 L C 2.274 179.164 176.870 0.033 0.000 1.095 298 L CA 1.490 56.349 54.840 0.032 0.000 0.770 298 L CB -0.511 41.572 42.059 0.040 0.000 0.914 298 L HN 0.224 nan 8.230 nan 0.000 0.439 299 K N -0.458 119.957 120.400 0.024 0.000 2.555 299 K HA -0.024 4.296 4.320 -0.000 0.000 0.193 299 K C 1.917 178.529 176.600 0.020 0.000 1.032 299 K CA 0.598 56.899 56.287 0.022 0.000 1.004 299 K CB 0.121 32.627 32.500 0.010 0.000 0.804 299 K HN 0.275 nan 8.250 nan 0.000 0.496 300 A N 0.997 123.829 122.820 0.019 0.000 1.841 300 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 300 A C 1.760 179.354 177.584 0.017 0.000 1.199 300 A CA 2.561 54.608 52.037 0.016 0.000 0.621 300 A CB -0.551 18.458 19.000 0.015 0.000 0.835 300 A HN 0.562 nan 8.150 nan 0.000 0.445 301 A N -5.218 117.614 122.820 0.021 0.000 3.435 301 A HA 0.317 4.637 4.320 -0.000 0.000 0.204 301 A C 2.146 179.749 177.584 0.031 0.000 0.746 301 A CA 1.221 53.273 52.037 0.025 0.000 2.135 301 A CB -1.801 17.214 19.000 0.025 0.000 0.639 301 A HN 2.458 nan 8.150 nan 0.000 0.618 302 G N -1.650 107.171 108.800 0.035 0.000 2.143 302 G HA2 0.049 4.009 3.960 -0.000 0.000 0.248 302 G HA3 0.049 4.009 3.960 -0.000 0.000 0.248 302 G C 0.270 175.206 174.900 0.060 0.000 0.991 302 G CA 0.735 45.861 45.100 0.043 0.000 0.689 302 G HN 1.829 nan 8.290 nan 0.000 0.522 303 V N 2.647 122.599 119.914 0.064 0.000 2.313 303 V HA 0.481 4.601 4.120 -0.000 0.000 0.278 303 V C -1.568 174.587 176.094 0.102 0.000 1.017 303 V CA -1.572 60.782 62.300 0.090 0.000 0.823 303 V CB 1.781 33.655 31.823 0.085 0.000 1.010 303 V HN 0.227 nan 8.190 nan 0.000 0.443 304 P HA 0.407 nan 4.420 nan 0.000 0.278 304 P C -0.361 177.061 177.300 0.203 0.000 1.238 304 P CA 0.061 63.246 63.100 0.141 0.000 0.794 304 P CB 1.425 33.241 31.700 0.193 0.000 0.955 305 T N -1.056 113.510 114.554 0.021 0.000 2.865 305 T HA 0.855 5.205 4.350 -0.000 0.000 0.294 305 T C -0.907 173.545 174.700 -0.413 0.000 1.119 305 T CA -0.904 61.184 62.100 -0.020 0.000 1.007 305 T CB 1.728 70.609 68.868 0.022 0.000 1.225 305 T HN 0.544 nan 8.240 nan 0.000 0.515 306 A N 0.272 122.836 122.820 -0.426 0.000 2.566 306 A HA 0.797 5.117 4.320 -0.000 0.000 0.292 306 A C -1.353 176.006 177.584 -0.374 0.000 1.112 306 A CA -0.860 50.849 52.037 -0.546 0.000 0.707 306 A CB 1.809 20.296 19.000 -0.854 0.000 1.302 306 A HN 1.012 nan 8.150 nan 0.000 0.409 307 V N 1.816 121.435 119.914 -0.491 0.000 2.376 307 V HA 0.421 4.541 4.120 -0.000 0.000 0.287 307 V C -1.205 174.560 176.094 -0.548 0.000 1.015 307 V CA -0.260 61.830 62.300 -0.349 0.000 0.834 307 V CB 0.782 32.507 31.823 -0.164 0.000 1.001 307 V HN 0.869 nan 8.190 nan 0.000 0.428 308 H N 4.724 123.647 119.070 -0.245 0.000 2.786 308 H HA 0.661 5.217 4.556 -0.000 0.000 0.284 308 H C -1.413 173.565 175.328 -0.583 0.000 1.104 308 H CA -0.344 55.250 56.048 -0.758 0.000 1.339 308 H CB 0.784 30.001 29.762 -0.907 0.000 1.427 308 H HN 0.617 nan 8.280 nan 0.000 0.497 309 Y N 1.917 122.311 120.300 0.156 0.000 2.492 309 Y HA 0.236 4.786 4.550 -0.000 0.000 0.346 309 Y C -1.909 174.077 175.900 0.144 0.000 0.997 309 Y CA -2.662 55.478 58.100 0.065 0.000 1.025 309 Y CB 2.004 40.419 38.460 -0.076 0.000 1.263 309 Y HN 0.397 nan 8.280 nan 0.000 0.454 310 P HA 0.047 nan 4.420 nan 0.000 0.231 310 P C -0.141 177.248 177.300 0.148 0.000 1.168 310 P CA 1.265 64.455 63.100 0.150 0.000 0.779 310 P CB 1.168 32.911 31.700 0.072 0.000 0.844 311 I N 2.198 122.855 120.570 0.145 0.000 2.439 311 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 311 I C -2.397 173.760 176.117 0.066 0.000 1.021 311 I CA -2.908 58.443 61.300 0.085 0.000 1.091 311 I CB 2.432 40.449 38.000 0.029 0.000 1.242 311 I HN -0.222 nan 8.210 nan 0.000 0.439 312 P HA 0.152 nan 4.420 nan 0.000 0.276 312 P C 0.555 177.771 177.300 -0.141 0.000 1.261 312 P CA -0.513 62.603 63.100 0.026 0.000 0.800 312 P CB 1.445 33.210 31.700 0.108 0.000 1.066 313 L N 1.176 122.231 121.223 -0.279 0.000 2.083 313 L HA -0.160 4.179 4.340 -0.000 0.000 0.209 313 L C 2.241 178.878 176.870 -0.389 0.000 1.083 313 L CA 1.748 56.376 54.840 -0.354 0.000 0.752 313 L CB -1.702 40.111 42.059 -0.411 0.000 0.899 313 L HN 0.504 nan 8.230 nan 0.000 0.433 314 N N -0.191 118.164 118.700 -0.575 0.000 2.443 314 N HA -0.218 4.522 4.740 -0.000 0.000 0.184 314 N C 1.185 176.633 175.510 -0.104 0.000 1.037 314 N CA 1.029 53.882 53.050 -0.328 0.000 0.896 314 N CB -0.216 38.102 38.487 -0.281 0.000 0.959 314 N HN 0.415 nan 8.380 nan 0.000 0.442 315 K N -0.346 119.994 120.400 -0.100 0.000 2.374 315 K HA 0.162 4.482 4.320 -0.000 0.000 0.202 315 K C -0.046 176.530 176.600 -0.040 0.000 1.040 315 K CA -0.224 56.037 56.287 -0.045 0.000 1.085 315 K CB 0.599 33.083 32.500 -0.026 0.000 0.873 315 K HN 0.113 nan 8.250 nan 0.000 0.539 316 Q N 1.152 120.915 119.800 -0.062 0.000 2.295 316 Q HA 0.094 4.434 4.340 -0.000 0.000 0.259 316 Q C -2.053 173.928 176.000 -0.031 0.000 0.976 316 Q CA -1.688 54.081 55.803 -0.056 0.000 0.923 316 Q CB 1.109 29.792 28.738 -0.092 0.000 1.185 316 Q HN -0.056 nan 8.270 nan 0.000 0.410 317 P HA -0.225 nan 4.420 nan 0.000 0.216 317 P C 0.933 178.226 177.300 -0.012 0.000 1.150 317 P CA 1.821 64.913 63.100 -0.013 0.000 0.843 317 P CB 0.281 31.973 31.700 -0.014 0.000 0.787 318 A N -0.493 122.313 122.820 -0.024 0.000 1.883 318 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 318 A C 1.720 179.299 177.584 -0.008 0.000 1.186 318 A CA 2.558 54.581 52.037 -0.025 0.000 0.624 318 A CB -1.376 17.596 19.000 -0.046 0.000 0.822 318 A HN 0.229 nan 8.150 nan 0.000 0.444 319 V N -4.451 115.469 119.914 0.009 0.000 2.909 319 V HA 0.720 4.840 4.120 -0.000 0.000 0.362 319 V C 0.423 176.598 176.094 0.134 0.000 1.356 319 V CA -0.494 61.843 62.300 0.063 0.000 1.195 319 V CB -0.789 31.086 31.823 0.087 0.000 1.256 319 V HN 0.662 nan 8.190 nan 0.000 0.567 320 A N 0.670 123.535 122.820 0.075 0.000 2.440 320 A HA 0.555 4.875 4.320 -0.000 0.000 0.251 320 A C -0.083 177.573 177.584 0.121 0.000 1.089 320 A CA 0.314 52.398 52.037 0.080 0.000 0.779 320 A CB 0.428 19.446 19.000 0.030 0.000 1.022 320 A HN 0.528 nan 8.150 nan 0.000 0.492 321 D N 1.701 122.195 120.400 0.158 0.000 2.375 321 D HA 0.220 4.860 4.640 -0.000 0.000 0.259 321 D C 0.802 177.154 176.300 0.087 0.000 1.235 321 D CA -0.304 53.781 54.000 0.142 0.000 0.924 321 D CB 0.922 41.876 40.800 0.255 0.000 1.143 321 D HN 0.667 nan 8.370 nan 0.000 0.529 322 E N 2.269 122.498 120.200 0.048 0.000 2.274 322 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 322 E C 1.012 177.629 176.600 0.027 0.000 0.996 322 E CA 0.994 57.411 56.400 0.028 0.000 0.840 322 E CB 0.245 29.956 29.700 0.017 0.000 0.772 322 E HN 0.037 nan 8.360 nan 0.000 0.491 323 K N 0.751 121.170 120.400 0.033 0.000 2.305 323 K HA 0.222 4.542 4.320 -0.000 0.000 0.199 323 K C 0.597 177.216 176.600 0.033 0.000 1.047 323 K CA 0.709 57.011 56.287 0.026 0.000 0.976 323 K CB -0.177 32.335 32.500 0.019 0.000 0.765 323 K HN 0.268 nan 8.250 nan 0.000 0.474 324 A N 2.624 125.477 122.820 0.055 0.000 2.520 324 A HA 0.038 4.358 4.320 -0.000 0.000 0.245 324 A C 0.015 177.624 177.584 0.043 0.000 1.072 324 A CA 0.129 52.207 52.037 0.069 0.000 0.761 324 A CB 0.152 19.237 19.000 0.142 0.000 1.004 324 A HN -0.036 nan 8.150 nan 0.000 0.499 325 K N 3.431 123.851 120.400 0.034 0.000 2.231 325 K HA 0.352 4.672 4.320 -0.000 0.000 0.275 325 K C -0.924 175.686 176.600 0.018 0.000 1.105 325 K CA 0.276 56.574 56.287 0.018 0.000 0.931 325 K CB 0.401 32.907 32.500 0.011 0.000 1.296 325 K HN 0.616 nan 8.250 nan 0.000 0.446 326 L N 4.622 125.851 121.223 0.011 0.000 2.678 326 L HA 0.201 4.541 4.340 -0.000 0.000 0.250 326 L C -1.464 175.400 176.870 -0.010 0.000 1.455 326 L CA -1.264 53.579 54.840 0.005 0.000 0.823 326 L CB 1.229 43.292 42.059 0.006 0.000 1.107 326 L HN 0.183 nan 8.230 nan 0.000 0.514 327 P HA -0.126 nan 4.420 nan 0.000 0.218 327 P C 1.593 178.867 177.300 -0.042 0.000 1.149 327 P CA 1.039 64.124 63.100 -0.025 0.000 0.817 327 P CB 0.543 32.228 31.700 -0.024 0.000 0.785 328 V N 0.705 120.588 119.914 -0.052 0.000 2.270 328 V HA -0.110 4.010 4.120 -0.000 0.000 0.245 328 V C 2.933 178.953 176.094 -0.124 0.000 1.043 328 V CA 2.444 64.694 62.300 -0.084 0.000 1.014 328 V CB -1.976 29.794 31.823 -0.088 0.000 0.645 328 V HN 0.149 nan 8.190 nan 0.000 0.447 329 G N -0.224 108.518 108.800 -0.096 0.000 2.418 329 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 329 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 329 G C 1.204 176.048 174.900 -0.092 0.000 1.158 329 G CA 1.075 46.098 45.100 -0.129 0.000 0.771 329 G HN 0.500 nan 8.290 nan 0.000 0.545 330 D N 0.229 120.610 120.400 -0.032 0.000 2.097 330 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 330 D C 2.237 178.525 176.300 -0.020 0.000 0.989 330 D CA 1.092 55.090 54.000 -0.004 0.000 0.827 330 D CB -0.190 40.607 40.800 -0.005 0.000 0.966 330 D HN 0.390 nan 8.370 nan 0.000 0.456 331 K N 0.531 120.903 120.400 -0.048 0.000 2.057 331 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 331 K C 2.026 178.591 176.600 -0.059 0.000 1.050 331 K CA 1.220 57.481 56.287 -0.043 0.000 0.935 331 K CB -0.077 32.395 32.500 -0.046 0.000 0.715 331 K HN 0.031 nan 8.250 nan 0.000 0.439 332 A N 1.232 123.963 122.820 -0.148 0.000 1.917 332 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 332 A C 2.363 179.874 177.584 -0.122 0.000 1.182 332 A CA 2.084 53.990 52.037 -0.220 0.000 0.633 332 A CB -1.030 17.606 19.000 -0.607 0.000 0.819 332 A HN 0.504 nan 8.150 nan 0.000 0.448 333 A N -0.504 122.300 122.820 -0.027 0.000 1.986 333 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 333 A C 2.340 180.006 177.584 0.136 0.000 1.171 333 A CA 2.554 54.741 52.037 0.250 0.000 0.640 333 A CB -1.263 17.907 19.000 0.283 0.000 0.811 333 A HN 0.903 nan 8.150 nan 0.000 0.451 334 T N -4.147 110.445 114.554 0.064 0.000 3.081 334 T HA 0.102 4.452 4.350 -0.000 0.000 0.255 334 T C 1.539 176.260 174.700 0.035 0.000 1.113 334 T CA 1.156 63.282 62.100 0.044 0.000 1.082 334 T CB 0.061 68.943 68.868 0.025 0.000 0.939 334 T HN 0.590 nan 8.240 nan 0.000 0.506 335 Q N 0.625 120.448 119.800 0.038 0.000 2.342 335 Q HA 0.284 4.624 4.340 -0.000 0.000 0.261 335 Q C 0.584 176.607 176.000 0.039 0.000 0.841 335 Q CA -0.055 55.769 55.803 0.034 0.000 0.969 335 Q CB 1.148 29.907 28.738 0.034 0.000 1.136 335 Q HN 0.599 nan 8.270 nan 0.000 0.528 336 V N 0.136 120.081 119.914 0.052 0.000 2.673 336 V HA 0.247 4.367 4.120 -0.000 0.000 0.303 336 V C -0.221 175.866 176.094 -0.010 0.000 1.046 336 V CA 0.051 62.363 62.300 0.020 0.000 1.126 336 V CB 0.538 32.390 31.823 0.048 0.000 0.934 336 V HN 0.206 nan 8.190 nan 0.000 0.487 337 M N 4.239 123.812 119.600 -0.045 0.000 2.277 337 M HA 0.476 4.956 4.480 -0.000 0.000 0.282 337 M C -0.785 175.493 176.300 -0.036 0.000 1.074 337 M CA -0.144 55.133 55.300 -0.038 0.000 0.954 337 M CB 2.225 34.818 32.600 -0.013 0.000 1.672 337 M HN 0.850 nan 8.290 nan 0.000 0.471 338 S N 4.964 120.676 115.700 0.020 0.000 2.499 338 S HA 0.616 5.086 4.470 -0.000 0.000 0.279 338 S C -0.374 174.398 174.600 0.287 0.000 1.219 338 S CA -0.698 57.584 58.200 0.137 0.000 1.062 338 S CB 0.813 64.212 63.200 0.331 0.000 0.978 338 S HN 0.600 nan 8.310 nan 0.000 0.489 339 L N 3.275 124.597 121.223 0.165 0.000 2.416 339 L HA 0.449 4.789 4.340 -0.000 0.000 0.262 339 L C -2.302 174.585 176.870 0.029 0.000 1.093 339 L CA -2.691 52.210 54.840 0.103 0.000 0.801 339 L CB 0.285 42.225 42.059 -0.199 0.000 1.191 339 L HN 0.304 nan 8.230 nan 0.000 0.459 340 P HA 0.047 nan 4.420 nan 0.000 0.262 340 P C -0.784 176.429 177.300 -0.146 0.000 1.182 340 P CA 0.233 63.253 63.100 -0.133 0.000 0.761 340 P CB 0.469 32.211 31.700 0.069 0.000 0.795 341 M N 4.741 124.176 119.600 -0.276 0.000 2.234 341 M HA 0.416 4.896 4.480 -0.000 0.000 0.267 341 M C -1.717 174.531 176.300 -0.087 0.000 1.022 341 M CA -0.252 54.949 55.300 -0.164 0.000 0.993 341 M CB 0.752 33.344 32.600 -0.014 0.000 1.836 341 M HN 0.571 nan 8.290 nan 0.000 0.479 342 H N 2.596 121.632 119.070 -0.057 0.000 2.967 342 H HA 0.646 5.202 4.556 -0.000 0.000 0.318 342 H C -3.027 172.239 175.328 -0.103 0.000 1.375 342 H CA -1.562 54.470 56.048 -0.027 0.000 1.132 342 H CB 0.005 29.787 29.762 0.033 0.000 1.848 342 H HN 0.294 nan 8.280 nan 0.000 0.524 343 P HA -0.035 nan 4.420 nan 0.000 0.226 343 P C -0.136 176.846 177.300 -0.530 0.000 1.153 343 P CA 1.267 64.109 63.100 -0.429 0.000 0.777 343 P CB 0.015 31.278 31.700 -0.729 0.000 0.794 344 Y N -2.153 118.262 120.300 0.192 0.000 2.555 344 Y HA 0.273 4.822 4.550 -0.000 0.000 0.259 344 Y C 0.738 176.679 175.900 0.068 0.000 1.179 344 Y CA -0.991 57.196 58.100 0.146 0.000 1.230 344 Y CB -0.026 38.542 38.460 0.181 0.000 1.146 344 Y HN -0.167 nan 8.280 nan 0.000 0.526 345 L N 3.353 124.508 121.223 -0.114 0.000 2.433 345 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 345 L C 0.044 176.821 176.870 -0.156 0.000 1.128 345 L CA -0.407 54.298 54.840 -0.224 0.000 0.875 345 L CB -0.248 41.501 42.059 -0.516 0.000 1.171 345 L HN 0.218 nan 8.230 nan 0.000 0.463 346 D N 1.627 121.979 120.400 -0.081 0.000 2.387 346 D HA 0.179 4.818 4.640 -0.000 0.000 0.251 346 D C 0.929 177.154 176.300 -0.126 0.000 1.141 346 D CA -0.370 53.582 54.000 -0.080 0.000 0.987 346 D CB 0.424 41.209 40.800 -0.024 0.000 1.116 346 D HN 0.505 nan 8.370 nan 0.000 0.491 347 T N -0.031 114.456 114.554 -0.111 0.000 2.759 347 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 347 T C 1.868 176.507 174.700 -0.102 0.000 1.042 347 T CA 1.971 63.998 62.100 -0.123 0.000 1.140 347 T CB -0.522 68.291 68.868 -0.091 0.000 0.864 347 T HN 0.607 nan 8.240 nan 0.000 0.455 348 A N 1.438 124.217 122.820 -0.068 0.000 1.883 348 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 348 A C 2.633 180.187 177.584 -0.051 0.000 1.186 348 A CA 2.052 54.060 52.037 -0.048 0.000 0.624 348 A CB -0.926 18.057 19.000 -0.028 0.000 0.822 348 A HN 0.452 nan 8.150 nan 0.000 0.444 349 S N -0.254 115.411 115.700 -0.060 0.000 2.368 349 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 349 S C 1.796 176.343 174.600 -0.087 0.000 1.030 349 S CA 1.441 59.609 58.200 -0.054 0.000 0.999 349 S CB -0.486 62.687 63.200 -0.046 0.000 0.844 349 S HN 0.539 nan 8.310 nan 0.000 0.459 350 I N 1.368 121.833 120.570 -0.175 0.000 2.226 350 I HA -0.206 3.963 4.170 -0.000 0.000 0.245 350 I C 2.370 178.413 176.117 -0.124 0.000 1.100 350 I CA 1.168 62.308 61.300 -0.266 0.000 1.374 350 I CB -0.280 37.426 38.000 -0.490 0.000 1.057 350 I HN 0.208 nan 8.210 nan 0.000 0.413 351 K N 0.781 121.126 120.400 -0.092 0.000 2.103 351 K HA -0.154 4.165 4.320 -0.000 0.000 0.207 351 K C 2.079 178.672 176.600 -0.012 0.000 1.048 351 K CA 1.431 57.691 56.287 -0.044 0.000 0.930 351 K CB -0.175 32.301 32.500 -0.041 0.000 0.716 351 K HN 0.303 nan 8.250 nan 0.000 0.444 352 I N 0.845 121.409 120.570 -0.009 0.000 2.179 352 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 352 I C 2.196 178.332 176.117 0.032 0.000 1.088 352 I CA 1.276 62.583 61.300 0.011 0.000 1.357 352 I CB -0.259 37.748 38.000 0.012 0.000 1.051 352 I HN 0.093 nan 8.210 nan 0.000 0.409 353 I N 0.105 120.704 120.570 0.047 0.000 2.163 353 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 353 I C 2.633 178.810 176.117 0.099 0.000 1.085 353 I CA 1.335 62.691 61.300 0.094 0.000 1.347 353 I CB -0.500 37.601 38.000 0.168 0.000 1.044 353 I HN 0.364 nan 8.210 nan 0.000 0.408 354 C N 0.630 119.990 119.300 0.099 0.000 2.440 354 C HA -0.089 4.371 4.460 -0.000 0.000 0.278 354 C C 3.188 178.210 174.990 0.054 0.000 1.295 354 C CA 0.734 59.804 59.018 0.088 0.000 1.738 354 C CB -1.304 26.483 27.740 0.080 0.000 1.987 354 C HN 0.600 nan 8.230 nan 0.000 0.492 355 A N 0.720 123.563 122.820 0.039 0.000 1.902 355 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 355 A C 2.384 179.987 177.584 0.031 0.000 1.181 355 A CA 2.058 54.112 52.037 0.029 0.000 0.623 355 A CB -0.912 18.100 19.000 0.020 0.000 0.818 355 A HN 0.562 nan 8.150 nan 0.000 0.443 356 A N -0.433 122.409 122.820 0.036 0.000 1.902 356 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 356 A C 2.152 179.757 177.584 0.035 0.000 1.181 356 A CA 1.530 53.588 52.037 0.035 0.000 0.623 356 A CB -0.551 18.474 19.000 0.041 0.000 0.818 356 A HN 0.472 nan 8.150 nan 0.000 0.443 357 L N -0.592 120.656 121.223 0.041 0.000 2.217 357 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 357 L C 1.315 178.205 176.870 0.034 0.000 1.107 357 L CA 1.126 55.988 54.840 0.038 0.000 0.783 357 L CB -0.340 41.745 42.059 0.043 0.000 0.919 357 L HN 0.237 nan 8.230 nan 0.000 0.442 358 T N 0.971 115.546 114.554 0.034 0.000 3.609 358 T HA 0.069 4.418 4.350 -0.000 0.000 0.245 358 T C 0.115 174.829 174.700 0.024 0.000 0.980 358 T CA -0.051 62.067 62.100 0.030 0.000 0.940 358 T CB -0.828 68.057 68.868 0.029 0.000 1.105 358 T HN 0.340 nan 8.240 nan 0.000 0.627 359 N N 0.000 118.714 118.700 0.023 0.000 1.763 359 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 359 N CA 0.000 53.062 53.050 0.020 0.000 0.885 359 N CB 0.000 38.497 38.487 0.017 0.000 1.341 359 N HN 0.000 nan 8.380 nan 0.000 0.667