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 2ix1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLEADPLLAQ LKQQLHSQTP RAEGVVKATE KGFGFLEVDA QKSYFIPPPQ DATA SEQUENCE MKKVMHGDRI IAVIHSEKER ESAEPEELVE PFLTRFVGKV QGKNDRLAIV DATA SEQUENCE PDHPLLKDAI PCRAARGLNH EFKEGDWAVA EMRRHPLKGD RSFYAELTQY DATA SEQUENCE ITFGDDHFVP WWVTLARHNL EKEAPDGVAT EMLDEGLVRE DLTALDFVTI DATA SEQUENCE DSASTEDMND ALFAKALPDD KLQLIVAIAD PTAWIAEGSK LDKAAKIRAF DATA SEQUENCE TNYLPGFNIP MLPRELSDDL CSLRANEVRP VLACRMTLSA DGTIEDNIEF DATA SEQUENCE FAATIESKAK LVYDQVSDWL ENTGDWQPES EAIAEQVRLL AQICQRRGEW DATA SEQUENCE RHNHALVFKD RPDYRFILGE KGEVLDIVAE PRRIANRIVE EAMIAANICA DATA SEQUENCE ARVLRDKLGF GIYNVHMGFD PANADALAAL LKTHGLHVDA EEVLTLDGFC DATA SEQUENCE KLRRELDAQP TGFLDSRIRR FQSFAEISTE PGPHFGLGLE AYATWTSPIR DATA SEQUENCE KYGDMINHRL LKAVIKGETA TRPQDEITVQ MAERRRLNRM AERDVGDWLY DATA SEQUENCE ARFLKDKAGT DTRFAAEIVD ISRGGMRVRL VDNGAIAFIP APFLHAVRDE DATA SEQUENCE LVCSQENGTV QIKGETVYKV TDVIDVTIAE VRMETRSIIA RPV 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 0.000 176.285 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 L N 1.611 122.817 121.223 -0.028 0.000 2.385 2 L HA 0.356 4.696 4.340 -0.001 0.000 0.281 2 L C -0.233 176.627 176.870 -0.017 0.000 1.106 2 L CA 0.082 54.908 54.840 -0.022 0.000 0.856 2 L CB 0.168 42.212 42.059 -0.024 0.000 1.186 2 L HN 0.582 nan 8.230 nan 0.000 0.453 3 E N 3.442 123.634 120.200 -0.014 0.000 2.916 3 E HA 0.525 4.875 4.350 -0.001 0.000 0.217 3 E C -0.942 175.653 176.600 -0.008 0.000 1.100 3 E CA -0.167 56.227 56.400 -0.011 0.000 0.891 3 E CB 1.070 30.764 29.700 -0.010 0.000 1.311 3 E HN 0.565 nan 8.360 nan 0.000 0.421 4 A N 2.865 125.681 122.820 -0.007 0.000 2.385 4 A HA 0.463 4.783 4.320 -0.001 0.000 0.290 4 A C -0.349 177.233 177.584 -0.003 0.000 1.094 4 A CA -0.738 51.296 52.037 -0.005 0.000 0.729 4 A CB 0.745 19.742 19.000 -0.005 0.000 1.194 4 A HN 0.471 nan 8.150 nan 0.000 0.442 5 D N 1.923 122.321 120.400 -0.002 0.000 2.473 5 D HA 0.170 4.809 4.640 -0.001 0.000 0.230 5 D C -1.406 174.895 176.300 0.001 0.000 1.097 5 D CA -0.044 53.956 54.000 -0.001 0.000 0.861 5 D CB -0.862 39.938 40.800 -0.001 0.000 1.114 5 D HN 0.249 nan 8.370 nan 0.000 0.500 6 P HA -0.256 nan 4.420 nan 0.000 0.246 6 P C 1.282 178.583 177.300 0.003 0.000 0.762 6 P CA 2.028 65.129 63.100 0.001 0.000 1.095 6 P CB -0.177 31.524 31.700 0.001 0.000 0.775 7 L N -5.035 116.190 121.223 0.003 0.000 3.267 7 L HA 0.331 4.671 4.340 -0.001 0.000 0.289 7 L C 1.641 178.514 176.870 0.006 0.000 1.260 7 L CA 0.017 54.860 54.840 0.005 0.000 1.034 7 L CB -0.531 41.531 42.059 0.005 0.000 1.413 7 L HN -0.072 nan 8.230 nan 0.000 0.594 8 L N 0.572 121.798 121.223 0.005 0.000 2.109 8 L HA -0.009 4.331 4.340 -0.001 0.000 0.207 8 L C 3.009 179.884 176.870 0.008 0.000 1.086 8 L CA 1.316 56.160 54.840 0.006 0.000 0.760 8 L CB -0.645 41.417 42.059 0.004 0.000 0.910 8 L HN 0.548 nan 8.230 nan 0.000 0.437 9 A N -0.189 122.635 122.820 0.006 0.000 1.859 9 A HA -0.303 4.017 4.320 -0.001 0.000 0.217 9 A C 2.306 179.897 177.584 0.012 0.000 1.198 9 A CA 1.987 54.028 52.037 0.007 0.000 0.629 9 A CB -0.761 18.242 19.000 0.004 0.000 0.830 9 A HN 0.423 nan 8.150 nan 0.000 0.446 10 Q N -0.661 119.146 119.800 0.012 0.000 2.135 10 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 10 Q C 2.044 178.056 176.000 0.019 0.000 0.981 10 Q CA 1.963 57.776 55.803 0.015 0.000 0.856 10 Q CB -0.410 28.334 28.738 0.011 0.000 0.902 10 Q HN 0.559 nan 8.270 nan 0.000 0.425 11 L N 1.238 122.471 121.223 0.017 0.000 1.994 11 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 11 L C 2.163 179.051 176.870 0.030 0.000 1.071 11 L CA 2.047 56.899 54.840 0.020 0.000 0.745 11 L CB -0.443 41.625 42.059 0.016 0.000 0.892 11 L HN 0.035 nan 8.230 nan 0.000 0.431 12 K N -0.978 119.440 120.400 0.030 0.000 2.097 12 K HA -0.166 4.153 4.320 -0.001 0.000 0.206 12 K C 2.141 178.784 176.600 0.071 0.000 1.049 12 K CA 1.576 57.888 56.287 0.042 0.000 0.933 12 K CB -0.164 32.350 32.500 0.023 0.000 0.717 12 K HN 0.476 nan 8.250 nan 0.000 0.442 13 Q N 0.176 120.011 119.800 0.059 0.000 2.061 13 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 13 Q C 2.243 178.291 176.000 0.081 0.000 0.984 13 Q CA 1.276 57.129 55.803 0.082 0.000 0.846 13 Q CB 0.045 28.814 28.738 0.052 0.000 0.902 13 Q HN 0.226 nan 8.270 nan 0.000 0.421 14 Q N 0.349 120.178 119.800 0.049 0.000 2.050 14 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 14 Q C 2.192 178.210 176.000 0.030 0.000 0.980 14 Q CA 1.202 57.023 55.803 0.030 0.000 0.840 14 Q CB -0.253 28.497 28.738 0.019 0.000 0.898 14 Q HN 0.427 nan 8.270 nan 0.000 0.424 15 L N -0.381 120.871 121.223 0.048 0.000 2.046 15 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 15 L C 2.504 179.414 176.870 0.067 0.000 1.077 15 L CA 1.699 56.569 54.840 0.050 0.000 0.747 15 L CB -0.568 41.527 42.059 0.060 0.000 0.896 15 L HN 0.338 nan 8.230 nan 0.000 0.432 16 H N -0.354 118.724 119.070 0.014 0.000 2.428 16 H HA -0.121 4.434 4.556 -0.001 0.000 0.296 16 H C 2.326 177.657 175.328 0.005 0.000 1.062 16 H CA 1.335 57.394 56.048 0.019 0.000 1.350 16 H CB 0.088 29.865 29.762 0.025 0.000 1.403 16 H HN 0.284 nan 8.280 nan 0.000 0.533 17 S N -0.784 114.820 115.700 -0.160 0.000 2.603 17 S HA -0.060 4.409 4.470 -0.001 0.000 0.229 17 S C 1.494 176.005 174.600 -0.148 0.000 0.972 17 S CA 0.698 58.780 58.200 -0.196 0.000 0.935 17 S CB -0.043 63.118 63.200 -0.065 0.000 0.769 17 S HN 0.676 nan 8.310 nan 0.000 0.536 18 Q N 0.649 120.381 119.800 -0.113 0.000 2.246 18 Q HA 0.166 4.506 4.340 -0.001 0.000 0.222 18 Q C -0.225 175.724 176.000 -0.086 0.000 0.851 18 Q CA -0.012 55.745 55.803 -0.076 0.000 0.945 18 Q CB 0.801 29.516 28.738 -0.038 0.000 1.122 18 Q HN 0.508 nan 8.270 nan 0.000 0.508 19 T N 3.062 117.545 114.554 -0.119 0.000 2.903 19 T HA 0.125 4.475 4.350 -0.001 0.000 0.314 19 T C -2.298 172.316 174.700 -0.144 0.000 1.078 19 T CA -0.837 61.190 62.100 -0.122 0.000 1.114 19 T CB 0.237 69.018 68.868 -0.145 0.000 0.987 19 T HN 0.006 nan 8.240 nan 0.000 0.548 20 P HA 0.490 nan 4.420 nan 0.000 0.274 20 P C -0.483 176.714 177.300 -0.172 0.000 1.231 20 P CA -0.620 62.402 63.100 -0.129 0.000 0.790 20 P CB 0.629 32.266 31.700 -0.105 0.000 0.951 21 R N 0.659 121.080 120.500 -0.132 0.000 2.686 21 R HA 0.804 5.143 4.340 -0.001 0.000 0.286 21 R C -0.963 175.282 176.300 -0.093 0.000 0.969 21 R CA -0.704 55.316 56.100 -0.132 0.000 0.898 21 R CB 2.171 32.409 30.300 -0.104 0.000 1.183 21 R HN 0.513 nan 8.270 nan 0.000 0.456 22 A N 1.641 124.402 122.820 -0.099 0.000 2.365 22 A HA 0.436 4.755 4.320 -0.001 0.000 0.318 22 A C -1.008 176.580 177.584 0.006 0.000 1.091 22 A CA -0.606 51.424 52.037 -0.012 0.000 0.763 22 A CB 1.389 20.420 19.000 0.051 0.000 1.248 22 A HN 0.749 nan 8.150 nan 0.000 0.442 23 E N 0.997 121.215 120.200 0.030 0.000 2.231 23 E HA 0.616 4.966 4.350 -0.001 0.000 0.277 23 E C 0.226 176.855 176.600 0.050 0.000 0.999 23 E CA -0.018 56.399 56.400 0.027 0.000 0.827 23 E CB 1.430 31.141 29.700 0.018 0.000 1.101 23 E HN 1.020 nan 8.360 nan 0.000 0.393 24 G N 1.086 109.910 108.800 0.041 0.000 2.428 24 G HA2 0.330 4.290 3.960 -0.001 0.000 0.304 24 G HA3 0.330 4.290 3.960 -0.001 0.000 0.304 24 G C -1.564 173.347 174.900 0.017 0.000 1.303 24 G CA -0.613 44.513 45.100 0.043 0.000 0.825 24 G HN 0.430 nan 8.290 nan 0.000 0.484 25 V N 0.379 120.292 119.914 -0.002 0.000 2.435 25 V HA 0.522 4.641 4.120 -0.001 0.000 0.290 25 V C 0.461 176.511 176.094 -0.074 0.000 1.030 25 V CA -0.736 61.532 62.300 -0.054 0.000 0.881 25 V CB 1.418 33.187 31.823 -0.091 0.000 0.983 25 V HN 0.618 nan 8.190 nan 0.000 0.445 26 V N 4.771 124.620 119.914 -0.108 0.000 2.637 26 V HA 0.257 4.376 4.120 -0.001 0.000 0.296 26 V C 0.374 176.322 176.094 -0.243 0.000 1.046 26 V CA -0.106 62.130 62.300 -0.107 0.000 1.066 26 V CB 1.204 32.985 31.823 -0.069 0.000 0.968 26 V HN 0.800 nan 8.190 nan 0.000 0.483 27 K N 4.143 124.487 120.400 -0.094 0.000 2.559 27 K HA 0.635 4.955 4.320 -0.001 0.000 0.249 27 K C -0.307 176.363 176.600 0.117 0.000 0.958 27 K CA -0.332 55.937 56.287 -0.029 0.000 0.901 27 K CB 1.626 34.172 32.500 0.076 0.000 1.124 27 K HN 0.792 nan 8.250 nan 0.000 0.437 28 A N 2.470 125.429 122.820 0.232 0.000 2.259 28 A HA 0.639 4.958 4.320 -0.001 0.000 0.278 28 A C 0.176 177.759 177.584 -0.002 0.000 1.107 28 A CA -0.124 51.946 52.037 0.056 0.000 0.828 28 A CB 0.451 19.464 19.000 0.022 0.000 1.111 28 A HN 0.831 nan 8.150 nan 0.000 0.498 29 T N -3.178 111.290 114.554 -0.144 0.000 2.696 29 T HA 0.470 4.820 4.350 -0.001 0.000 0.291 29 T C 0.320 174.897 174.700 -0.204 0.000 1.095 29 T CA -0.504 61.490 62.100 -0.177 0.000 1.026 29 T CB 0.868 69.565 68.868 -0.285 0.000 1.390 29 T HN 0.433 nan 8.240 nan 0.000 0.513 30 E N 0.591 120.687 120.200 -0.173 0.000 2.153 30 E HA -0.013 4.336 4.350 -0.001 0.000 0.194 30 E C 0.748 177.251 176.600 -0.162 0.000 0.988 30 E CA 1.116 57.436 56.400 -0.134 0.000 0.811 30 E CB 0.004 29.657 29.700 -0.077 0.000 0.746 30 E HN 0.457 nan 8.360 nan 0.000 0.466 31 K N -0.753 119.479 120.400 -0.279 0.000 2.488 31 K HA 0.278 4.598 4.320 -0.001 0.000 0.255 31 K C 1.507 177.924 176.600 -0.305 0.000 1.036 31 K CA 0.183 56.308 56.287 -0.269 0.000 0.990 31 K CB 0.184 32.502 32.500 -0.304 0.000 1.304 31 K HN 0.019 nan 8.250 nan 0.000 0.505 32 G N 0.506 109.222 108.800 -0.139 0.000 2.572 32 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.216 32 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.216 32 G C 0.519 175.373 174.900 -0.077 0.000 1.133 32 G CA 0.269 45.332 45.100 -0.062 0.000 0.791 32 G HN 0.454 nan 8.290 nan 0.000 0.538 33 F N -0.298 119.576 119.950 -0.127 0.000 2.380 33 F HA 0.826 5.353 4.527 -0.001 0.000 0.319 33 F C 0.524 176.084 175.800 -0.400 0.000 1.113 33 F CA -1.120 56.684 58.000 -0.325 0.000 1.056 33 F CB 1.091 39.868 39.000 -0.372 0.000 1.289 33 F HN 0.073 nan 8.300 nan 0.000 0.515 34 G N -0.137 108.401 108.800 -0.438 0.000 2.975 34 G HA2 0.688 4.648 3.960 -0.001 0.000 0.291 34 G HA3 0.688 4.648 3.960 -0.001 0.000 0.291 34 G C -2.227 172.234 174.900 -0.732 0.000 1.334 34 G CA -1.055 43.773 45.100 -0.454 0.000 0.843 34 G HN 0.601 nan 8.290 nan 0.000 0.548 35 F N -1.118 118.838 119.950 0.009 0.000 2.588 35 F HA 0.540 5.066 4.527 -0.000 0.000 0.310 35 F C -0.525 175.295 175.800 0.032 0.000 1.082 35 F CA -0.722 57.309 58.000 0.051 0.000 0.929 35 F CB 2.626 41.680 39.000 0.091 0.000 1.254 35 F HN 0.373 nan 8.300 nan 0.000 0.455 36 L N 2.713 124.107 121.223 0.285 0.000 2.272 36 L HA 0.427 4.767 4.340 -0.001 0.000 0.284 36 L C -0.416 176.569 176.870 0.191 0.000 1.045 36 L CA 0.049 55.008 54.840 0.199 0.000 0.842 36 L CB 0.509 42.695 42.059 0.213 0.000 1.224 36 L HN 0.521 nan 8.230 nan 0.000 0.430 37 E N 3.448 123.710 120.200 0.104 0.000 2.180 37 E HA 0.106 4.456 4.350 -0.001 0.000 0.283 37 E C 0.434 177.059 176.600 0.041 0.000 1.061 37 E CA -0.271 56.156 56.400 0.045 0.000 0.861 37 E CB 1.571 31.272 29.700 0.002 0.000 1.056 37 E HN 0.623 nan 8.360 nan 0.000 0.407 38 V N 3.022 122.960 119.914 0.040 0.000 2.436 38 V HA -0.068 4.051 4.120 -0.001 0.000 0.240 38 V C 0.411 176.516 176.094 0.018 0.000 1.040 38 V CA 1.442 63.774 62.300 0.053 0.000 1.052 38 V CB -0.131 31.751 31.823 0.098 0.000 0.707 38 V HN 0.756 nan 8.190 nan 0.000 0.469 39 D N -2.354 118.041 120.400 -0.008 0.000 2.652 39 D HA 0.514 5.154 4.640 -0.001 0.000 0.285 39 D C 0.550 176.832 176.300 -0.029 0.000 1.173 39 D CA 0.035 54.028 54.000 -0.013 0.000 0.981 39 D CB 1.274 42.069 40.800 -0.008 0.000 1.440 39 D HN 0.031 nan 8.370 nan 0.000 0.485 40 A N -0.880 121.925 122.820 -0.025 0.000 2.216 40 A HA -0.068 4.252 4.320 -0.001 0.000 0.214 40 A C 1.067 178.626 177.584 -0.043 0.000 1.160 40 A CA 0.997 53.015 52.037 -0.032 0.000 0.725 40 A CB -0.464 18.523 19.000 -0.022 0.000 0.784 40 A HN 0.403 nan 8.150 nan 0.000 0.472 41 Q N -1.170 118.602 119.800 -0.046 0.000 2.110 41 Q HA 0.283 4.622 4.340 -0.001 0.000 0.232 41 Q C -0.590 175.362 176.000 -0.079 0.000 0.810 41 Q CA 0.154 55.925 55.803 -0.054 0.000 1.083 41 Q CB 0.654 29.370 28.738 -0.036 0.000 1.193 41 Q HN 0.623 nan 8.270 nan 0.000 0.471 42 K N 0.777 121.115 120.400 -0.103 0.000 2.575 42 K HA 0.368 4.688 4.320 -0.001 0.000 0.255 42 K C -1.567 174.908 176.600 -0.209 0.000 0.953 42 K CA -0.057 56.128 56.287 -0.171 0.000 0.840 42 K CB 1.322 33.733 32.500 -0.147 0.000 1.303 42 K HN 0.121 nan 8.250 nan 0.000 0.438 43 S N 1.958 117.475 115.700 -0.305 0.000 2.547 43 S HA 0.537 5.007 4.470 -0.001 0.000 0.270 43 S C -1.651 172.819 174.600 -0.217 0.000 1.150 43 S CA -0.850 57.222 58.200 -0.213 0.000 0.850 43 S CB 0.711 63.862 63.200 -0.082 0.000 1.118 43 S HN 0.414 nan 8.310 nan 0.000 0.461 44 Y N 1.051 121.478 120.300 0.211 0.000 2.393 44 Y HA 0.577 5.127 4.550 -0.000 0.000 0.341 44 Y C 0.055 176.191 175.900 0.394 0.000 0.988 44 Y CA -1.101 57.157 58.100 0.263 0.000 1.078 44 Y CB 1.184 39.741 38.460 0.163 0.000 1.203 44 Y HN 0.803 nan 8.280 nan 0.000 0.453 45 F N 4.472 124.674 119.950 0.421 0.000 2.572 45 F HA 0.300 4.827 4.527 -0.001 0.000 0.370 45 F C -0.469 175.379 175.800 0.079 0.000 1.103 45 F CA -0.207 57.907 58.000 0.190 0.000 1.286 45 F CB 0.166 39.232 39.000 0.111 0.000 1.105 45 F HN 0.311 nan 8.300 nan 0.000 0.583 46 I N 8.764 128.849 120.570 -0.808 0.000 2.359 46 I HA 0.265 4.434 4.170 -0.001 0.000 0.284 46 I C -2.125 173.439 176.117 -0.922 0.000 1.018 46 I CA -2.298 58.652 61.300 -0.584 0.000 1.173 46 I CB 1.144 38.972 38.000 -0.287 0.000 1.326 46 I HN 0.434 nan 8.210 nan 0.000 0.462 47 P HA 0.023 nan 4.420 nan 0.000 0.265 47 P C -2.164 175.076 177.300 -0.101 0.000 1.187 47 P CA -0.933 62.067 63.100 -0.167 0.000 0.766 47 P CB 0.078 31.833 31.700 0.092 0.000 0.820 48 P HA -0.171 nan 4.420 nan 0.000 0.216 48 P C -1.177 176.127 177.300 0.007 0.000 1.157 48 P CA 2.697 65.813 63.100 0.026 0.000 0.880 48 P CB -1.788 29.964 31.700 0.086 0.000 0.791 49 P HA -0.159 nan 4.420 nan 0.000 0.216 49 P C 1.690 178.991 177.300 0.001 0.000 1.150 49 P CA 1.512 64.618 63.100 0.010 0.000 0.837 49 P CB -0.513 31.195 31.700 0.013 0.000 0.786 50 Q N -1.660 118.134 119.800 -0.009 0.000 2.230 50 Q HA 0.030 4.369 4.340 -0.001 0.000 0.202 50 Q C 1.933 177.928 176.000 -0.008 0.000 0.963 50 Q CA 1.008 56.807 55.803 -0.008 0.000 0.866 50 Q CB -0.639 28.090 28.738 -0.014 0.000 0.931 50 Q HN 0.295 nan 8.270 nan 0.000 0.452 51 M N 0.287 119.869 119.600 -0.029 0.000 2.460 51 M HA -0.090 4.390 4.480 -0.001 0.000 0.263 51 M C 1.532 177.853 176.300 0.034 0.000 1.071 51 M CA 1.088 56.377 55.300 -0.019 0.000 1.096 51 M CB -0.424 32.139 32.600 -0.062 0.000 1.408 51 M HN 0.083 nan 8.290 nan 0.000 0.463 52 K N 0.039 120.459 120.400 0.033 0.000 2.362 52 K HA -0.101 4.219 4.320 -0.001 0.000 0.200 52 K C 1.699 178.338 176.600 0.065 0.000 1.046 52 K CA 0.793 57.115 56.287 0.058 0.000 0.952 52 K CB 0.111 32.627 32.500 0.027 0.000 0.753 52 K HN 0.350 nan 8.250 nan 0.000 0.466 53 K N 0.408 120.837 120.400 0.048 0.000 2.365 53 K HA 0.007 4.327 4.320 -0.001 0.000 0.197 53 K C 0.700 177.389 176.600 0.149 0.000 1.042 53 K CA 0.384 56.686 56.287 0.026 0.000 0.987 53 K CB 0.454 32.976 32.500 0.037 0.000 0.779 53 K HN 0.014 nan 8.250 nan 0.000 0.484 54 V N -2.516 117.543 119.914 0.243 0.000 3.155 54 V HA 0.569 4.688 4.120 -0.001 0.000 0.313 54 V C -0.835 175.451 176.094 0.320 0.000 1.162 54 V CA -1.333 61.185 62.300 0.364 0.000 1.048 54 V CB 1.948 33.895 31.823 0.206 0.000 1.092 54 V HN -0.004 nan 8.190 nan 0.000 0.447 55 M N 1.026 120.759 119.600 0.222 0.000 2.464 55 M HA 0.539 5.018 4.480 -0.001 0.000 0.308 55 M C -0.518 175.778 176.300 -0.006 0.000 1.127 55 M CA -0.804 54.483 55.300 -0.020 0.000 0.913 55 M CB 1.751 34.233 32.600 -0.197 0.000 1.689 55 M HN 1.130 nan 8.290 nan 0.000 0.445 56 H N 2.532 121.502 119.070 -0.166 0.000 3.140 56 H HA 0.210 4.766 4.556 -0.001 0.000 0.316 56 H C 1.038 176.106 175.328 -0.433 0.000 0.986 56 H CA 2.650 58.546 56.048 -0.254 0.000 1.397 56 H CB 0.404 29.994 29.762 -0.287 0.000 1.377 56 H HN 0.845 nan 8.280 nan 0.000 0.585 57 G N 3.621 111.913 108.800 -0.847 0.000 2.217 57 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.246 57 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.246 57 G C 0.045 174.812 174.900 -0.222 0.000 0.990 57 G CA 0.100 44.704 45.100 -0.827 0.000 0.627 57 G HN 0.735 nan 8.290 nan 0.000 0.522 58 D N 0.539 120.909 120.400 -0.049 0.000 2.472 58 D HA 0.312 4.952 4.640 -0.001 0.000 0.237 58 D C 0.877 177.183 176.300 0.010 0.000 1.141 58 D CA 0.334 54.379 54.000 0.075 0.000 0.875 58 D CB 0.572 41.459 40.800 0.145 0.000 1.192 58 D HN 0.564 nan 8.370 nan 0.000 0.450 59 R N 2.820 123.337 120.500 0.027 0.000 2.265 59 R HA 0.509 4.849 4.340 -0.001 0.000 0.328 59 R C -0.432 175.870 176.300 0.003 0.000 0.969 59 R CA -0.541 55.565 56.100 0.010 0.000 0.832 59 R CB 0.206 30.517 30.300 0.018 0.000 1.139 59 R HN 0.558 nan 8.270 nan 0.000 0.457 60 I N 0.782 121.354 120.570 0.004 0.000 3.145 60 I HA 0.556 4.725 4.170 -0.001 0.000 0.313 60 I C -0.986 175.132 176.117 0.001 0.000 1.122 60 I CA -1.440 59.860 61.300 -0.000 0.000 0.987 60 I CB 2.194 40.201 38.000 0.010 0.000 1.236 60 I HN 0.452 nan 8.210 nan 0.000 0.453 61 I N 2.789 123.355 120.570 -0.007 0.000 2.354 61 I HA 0.694 4.863 4.170 -0.001 0.000 0.292 61 I C 0.065 176.171 176.117 -0.018 0.000 0.989 61 I CA -0.383 60.909 61.300 -0.014 0.000 1.188 61 I CB 1.748 39.736 38.000 -0.020 0.000 1.342 61 I HN 0.813 nan 8.210 nan 0.000 0.457 62 A N 5.901 128.699 122.820 -0.037 0.000 2.356 62 A HA 0.798 5.117 4.320 -0.001 0.000 0.323 62 A C -0.581 176.934 177.584 -0.115 0.000 1.119 62 A CA -0.630 51.376 52.037 -0.052 0.000 0.790 62 A CB 1.687 20.658 19.000 -0.049 0.000 1.273 62 A HN 0.578 nan 8.150 nan 0.000 0.452 63 V N -0.049 119.795 119.914 -0.118 0.000 2.567 63 V HA 0.752 4.872 4.120 -0.001 0.000 0.289 63 V C -0.564 175.262 176.094 -0.446 0.000 1.049 63 V CA -0.469 61.684 62.300 -0.247 0.000 0.969 63 V CB 0.730 32.443 31.823 -0.184 0.000 0.995 63 V HN 0.555 nan 8.190 nan 0.000 0.471 64 I N 5.750 126.007 120.570 -0.521 0.000 2.336 64 I HA 0.502 4.672 4.170 -0.001 0.000 0.292 64 I C 0.181 175.976 176.117 -0.536 0.000 0.991 64 I CA -0.006 60.987 61.300 -0.512 0.000 1.227 64 I CB 1.075 38.767 38.000 -0.513 0.000 1.366 64 I HN 0.676 nan 8.210 nan 0.000 0.466 65 H N 4.216 123.261 119.070 -0.042 0.000 2.466 65 H HA 0.410 4.966 4.556 -0.001 0.000 0.338 65 H C -0.461 174.881 175.328 0.023 0.000 1.091 65 H CA -0.790 55.259 56.048 0.002 0.000 1.207 65 H CB 1.719 31.493 29.762 0.020 0.000 1.466 65 H HN 0.396 nan 8.280 nan 0.000 0.493 66 S N 2.387 118.161 115.700 0.123 0.000 2.510 66 S HA 0.111 4.580 4.470 -0.001 0.000 0.279 66 S C 0.607 175.264 174.600 0.095 0.000 1.284 66 S CA -0.170 58.087 58.200 0.096 0.000 1.059 66 S CB 0.777 64.016 63.200 0.066 0.000 0.901 66 S HN 0.547 nan 8.310 nan 0.000 0.491 67 E N 1.310 121.557 120.200 0.079 0.000 2.299 67 E HA 0.381 4.730 4.350 -0.001 0.000 0.260 67 E C 0.687 177.300 176.600 0.022 0.000 0.944 67 E CA -0.727 55.702 56.400 0.048 0.000 0.815 67 E CB 0.743 30.471 29.700 0.046 0.000 1.252 67 E HN 0.385 nan 8.360 nan 0.000 0.418 68 K N 0.460 120.862 120.400 0.003 0.000 2.044 68 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 68 K C 1.328 177.918 176.600 -0.016 0.000 1.049 68 K CA 2.004 58.287 56.287 -0.007 0.000 0.927 68 K CB 0.071 32.562 32.500 -0.016 0.000 0.713 68 K HN 0.471 nan 8.250 nan 0.000 0.443 69 E N 0.017 120.196 120.200 -0.036 0.000 2.102 69 E HA -0.026 4.324 4.350 -0.001 0.000 0.190 69 E C 0.857 177.434 176.600 -0.039 0.000 0.971 69 E CA 0.372 56.739 56.400 -0.055 0.000 0.821 69 E CB 0.293 29.928 29.700 -0.108 0.000 0.777 69 E HN 0.248 nan 8.360 nan 0.000 0.460 70 R N 0.474 120.961 120.500 -0.023 0.000 2.747 70 R HA 0.362 4.702 4.340 -0.001 0.000 0.272 70 R C -1.281 175.070 176.300 0.085 0.000 1.032 70 R CA -0.732 55.380 56.100 0.021 0.000 0.896 70 R CB 0.927 31.220 30.300 -0.012 0.000 1.253 70 R HN -0.190 nan 8.270 nan 0.000 0.461 71 E N 0.804 121.098 120.200 0.158 0.000 2.366 71 E HA 0.236 4.585 4.350 -0.001 0.000 0.266 71 E C -0.867 175.914 176.600 0.300 0.000 1.051 71 E CA -0.182 56.355 56.400 0.228 0.000 0.884 71 E CB 1.520 31.416 29.700 0.327 0.000 1.006 71 E HN 0.430 nan 8.360 nan 0.000 0.417 72 S N 0.824 116.671 115.700 0.246 0.000 2.542 72 S HA 0.698 5.168 4.470 -0.001 0.000 0.293 72 S C -1.440 173.261 174.600 0.167 0.000 1.089 72 S CA -0.598 57.776 58.200 0.289 0.000 0.961 72 S CB 1.458 64.829 63.200 0.284 0.000 1.062 72 S HN 0.523 nan 8.310 nan 0.000 0.483 73 A N 2.818 125.731 122.820 0.155 0.000 2.318 73 A HA 0.684 5.004 4.320 -0.001 0.000 0.317 73 A C -0.572 177.058 177.584 0.077 0.000 1.159 73 A CA -0.569 51.491 52.037 0.038 0.000 0.799 73 A CB 0.847 19.875 19.000 0.047 0.000 1.194 73 A HN 0.820 nan 8.150 nan 0.000 0.479 74 E N 4.259 124.513 120.200 0.090 0.000 2.141 74 E HA 0.381 4.730 4.350 -0.001 0.000 0.259 74 E C -2.633 174.007 176.600 0.067 0.000 0.883 74 E CA -2.353 54.118 56.400 0.118 0.000 0.744 74 E CB 1.448 31.306 29.700 0.264 0.000 1.150 74 E HN 0.402 nan 8.360 nan 0.000 0.420 75 P HA -0.059 nan 4.420 nan 0.000 0.263 75 P C -0.238 177.087 177.300 0.040 0.000 1.195 75 P CA 0.644 63.765 63.100 0.035 0.000 0.762 75 P CB 1.083 32.809 31.700 0.043 0.000 0.799 76 E N 2.562 122.779 120.200 0.028 0.000 2.354 76 E HA 0.051 4.400 4.350 -0.001 0.000 0.203 76 E C -0.076 176.534 176.600 0.017 0.000 0.841 76 E CA -0.007 56.414 56.400 0.035 0.000 1.046 76 E CB 0.621 30.344 29.700 0.038 0.000 1.040 76 E HN 0.522 nan 8.360 nan 0.000 0.504 77 E N 0.637 120.837 120.200 0.000 0.000 2.304 77 E HA 0.255 4.605 4.350 -0.001 0.000 0.277 77 E C -1.815 174.763 176.600 -0.035 0.000 0.898 77 E CA -0.767 55.623 56.400 -0.016 0.000 0.764 77 E CB 1.643 31.336 29.700 -0.012 0.000 1.216 77 E HN 0.125 nan 8.360 nan 0.000 0.419 78 L N 6.068 127.248 121.223 -0.071 0.000 2.283 78 L HA 0.206 4.546 4.340 -0.001 0.000 0.287 78 L C 0.130 176.958 176.870 -0.070 0.000 1.073 78 L CA 0.246 55.019 54.840 -0.112 0.000 0.822 78 L CB 1.123 43.024 42.059 -0.263 0.000 1.186 78 L HN 0.674 nan 8.230 nan 0.000 0.436 79 V N 3.482 123.371 119.914 -0.041 0.000 2.346 79 V HA 0.084 4.203 4.120 -0.001 0.000 0.244 79 V C 0.743 176.828 176.094 -0.016 0.000 1.037 79 V CA 1.017 63.304 62.300 -0.021 0.000 1.029 79 V CB -0.391 31.428 31.823 -0.006 0.000 0.663 79 V HN 0.804 nan 8.190 nan 0.000 0.454 80 E N -0.064 120.128 120.200 -0.013 0.000 2.343 80 E HA 0.285 4.634 4.350 -0.001 0.000 0.288 80 E C -2.896 173.720 176.600 0.027 0.000 0.907 80 E CA -1.647 54.758 56.400 0.009 0.000 0.792 80 E CB 3.045 32.763 29.700 0.030 0.000 1.275 80 E HN 0.139 nan 8.360 nan 0.000 0.402 81 P HA 0.061 nan 4.420 nan 0.000 0.279 81 P C 0.226 177.600 177.300 0.124 0.000 1.239 81 P CA -0.143 63.012 63.100 0.092 0.000 0.789 81 P CB 0.599 32.364 31.700 0.109 0.000 0.933 82 F N 3.029 122.983 119.950 0.006 0.000 2.234 82 F HA -0.003 4.524 4.527 -0.001 0.000 0.299 82 F C 0.356 176.129 175.800 -0.044 0.000 1.087 82 F CA 0.800 58.776 58.000 -0.040 0.000 1.340 82 F CB 0.255 39.199 39.000 -0.093 0.000 1.031 82 F HN 0.111 nan 8.300 nan 0.000 0.500 83 L N 1.055 122.146 121.223 -0.220 0.000 2.349 83 L HA 0.312 4.652 4.340 -0.001 0.000 0.278 83 L C 0.403 177.222 176.870 -0.084 0.000 0.996 83 L CA 0.079 54.723 54.840 -0.327 0.000 0.825 83 L CB 1.529 43.339 42.059 -0.416 0.000 1.243 83 L HN 0.243 nan 8.230 nan 0.000 0.412 84 T N 1.038 115.583 114.554 -0.016 0.000 3.257 84 T HA 0.310 4.659 4.350 -0.001 0.000 0.176 84 T C 0.705 175.532 174.700 0.212 0.000 0.892 84 T CA -0.415 61.741 62.100 0.092 0.000 1.147 84 T CB -0.208 68.692 68.868 0.053 0.000 1.840 84 T HN 0.362 nan 8.240 nan 0.000 0.375 85 R N 1.531 122.115 120.500 0.139 0.000 2.442 85 R HA 0.505 4.845 4.340 -0.001 0.000 0.291 85 R C -0.904 175.532 176.300 0.226 0.000 1.069 85 R CA -0.393 55.782 56.100 0.125 0.000 1.022 85 R CB -0.029 30.302 30.300 0.050 0.000 0.976 85 R HN 0.628 nan 8.270 nan 0.000 0.443 86 F N 1.488 121.418 119.950 -0.032 0.000 2.779 86 F HA 0.596 5.122 4.527 -0.001 0.000 0.316 86 F C -1.384 174.429 175.800 0.021 0.000 1.164 86 F CA -1.311 56.674 58.000 -0.026 0.000 0.924 86 F CB 0.877 39.849 39.000 -0.046 0.000 1.348 86 F HN 0.223 nan 8.300 nan 0.000 0.467 87 V N -0.636 119.368 119.914 0.149 0.000 3.001 87 V HA 1.103 5.222 4.120 -0.001 0.000 0.314 87 V C -0.472 175.808 176.094 0.310 0.000 1.099 87 V CA -0.155 62.215 62.300 0.115 0.000 0.989 87 V CB 1.083 33.012 31.823 0.176 0.000 1.040 87 V HN 1.889 nan 8.190 nan 0.000 0.434 88 G N 1.325 110.320 108.800 0.325 0.000 2.368 88 G HA2 0.435 4.394 3.960 -0.001 0.000 0.293 88 G HA3 0.435 4.394 3.960 -0.001 0.000 0.293 88 G C -1.899 172.982 174.900 -0.032 0.000 1.467 88 G CA -0.967 44.290 45.100 0.261 0.000 0.804 88 G HN 0.959 nan 8.290 nan 0.000 0.535 89 K N 0.049 120.165 120.400 -0.474 0.000 2.205 89 K HA 0.577 4.897 4.320 -0.001 0.000 0.279 89 K C 0.480 176.917 176.600 -0.272 0.000 1.027 89 K CA -0.601 55.254 56.287 -0.720 0.000 0.932 89 K CB 1.526 33.407 32.500 -1.032 0.000 1.032 89 K HN 0.777 nan 8.250 nan 0.000 0.466 90 V N 1.978 121.808 119.914 -0.140 0.000 2.644 90 V HA 0.378 4.498 4.120 -0.001 0.000 0.295 90 V C -0.751 175.330 176.094 -0.022 0.000 1.053 90 V CA -0.286 61.998 62.300 -0.027 0.000 0.987 90 V CB 1.463 33.329 31.823 0.071 0.000 1.006 90 V HN 0.848 nan 8.190 nan 0.000 0.472 91 Q N 2.649 122.444 119.800 -0.008 0.000 2.445 91 Q HA 0.796 5.135 4.340 -0.001 0.000 0.281 91 Q C 0.015 176.030 176.000 0.025 0.000 1.101 91 Q CA -0.343 55.461 55.803 0.001 0.000 0.833 91 Q CB 2.109 30.839 28.738 -0.013 0.000 1.416 91 Q HN 1.685 nan 8.270 nan 0.000 0.451 92 G N 1.121 109.938 108.800 0.028 0.000 2.663 92 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.686 92 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.686 92 G C -1.383 173.542 174.900 0.041 0.000 1.246 92 G CA -0.946 44.173 45.100 0.032 0.000 0.795 92 G HN 0.221 nan 8.290 nan 0.000 0.627 93 K N 1.236 121.657 120.400 0.035 0.000 2.156 93 K HA 0.332 4.652 4.320 -0.001 0.000 0.271 93 K C 0.994 177.615 176.600 0.034 0.000 0.995 93 K CA -0.727 55.580 56.287 0.034 0.000 0.890 93 K CB 0.892 33.407 32.500 0.026 0.000 1.073 93 K HN 0.844 nan 8.250 nan 0.000 0.454 94 N N 3.090 121.810 118.700 0.033 0.000 2.726 94 N HA -0.276 4.464 4.740 -0.001 0.000 0.307 94 N C -1.045 174.483 175.510 0.029 0.000 1.207 94 N CA 1.038 54.104 53.050 0.026 0.000 0.728 94 N CB -0.264 38.230 38.487 0.012 0.000 1.017 94 N HN 0.701 nan 8.380 nan 0.000 0.559 95 D N -0.186 120.236 120.400 0.037 0.000 3.041 95 D HA -0.190 4.450 4.640 -0.001 0.000 0.220 95 D C -0.345 175.980 176.300 0.042 0.000 1.157 95 D CA 0.880 54.904 54.000 0.039 0.000 0.876 95 D CB -0.302 40.515 40.800 0.029 0.000 1.107 95 D HN 0.517 nan 8.370 nan 0.000 0.422 96 R N 0.515 121.041 120.500 0.044 0.000 3.107 96 R HA 0.304 4.643 4.340 -0.001 0.000 0.224 96 R C -1.355 174.972 176.300 0.046 0.000 1.734 96 R CA -0.256 55.872 56.100 0.047 0.000 1.303 96 R CB -0.017 30.305 30.300 0.037 0.000 1.570 96 R HN 0.342 nan 8.270 nan 0.000 0.606 97 L N -1.045 120.207 121.223 0.049 0.000 2.371 97 L HA 1.062 5.402 4.340 -0.001 0.000 0.262 97 L C -0.798 176.085 176.870 0.022 0.000 1.006 97 L CA -1.118 53.744 54.840 0.036 0.000 0.818 97 L CB 2.462 44.545 42.059 0.040 0.000 1.354 97 L HN 0.245 nan 8.230 nan 0.000 0.415 98 A N 2.384 125.212 122.820 0.013 0.000 2.469 98 A HA 0.859 5.179 4.320 -0.001 0.000 0.299 98 A C -1.292 176.289 177.584 -0.005 0.000 1.098 98 A CA -0.650 51.391 52.037 0.006 0.000 0.737 98 A CB 1.986 20.996 19.000 0.017 0.000 1.312 98 A HN 0.859 nan 8.150 nan 0.000 0.414 99 I N 1.566 122.140 120.570 0.007 0.000 2.466 99 I HA 0.572 4.741 4.170 -0.001 0.000 0.289 99 I C -0.900 175.256 176.117 0.066 0.000 1.026 99 I CA -0.993 60.324 61.300 0.028 0.000 1.078 99 I CB 1.717 39.737 38.000 0.034 0.000 1.249 99 I HN 0.583 nan 8.210 nan 0.000 0.429 100 V N 8.613 128.542 119.914 0.025 0.000 2.383 100 V HA 0.626 4.746 4.120 -0.001 0.000 0.275 100 V C -2.428 173.719 176.094 0.088 0.000 1.036 100 V CA -1.799 60.514 62.300 0.020 0.000 0.889 100 V CB 1.000 32.805 31.823 -0.030 0.000 0.985 100 V HN 0.595 nan 8.190 nan 0.000 0.459 101 P HA 0.207 nan 4.420 nan 0.000 0.271 101 P C 0.149 177.561 177.300 0.185 0.000 1.218 101 P CA 0.076 63.314 63.100 0.229 0.000 0.780 101 P CB 0.707 32.374 31.700 -0.056 0.000 0.901 102 D N 0.055 120.618 120.400 0.272 0.000 2.263 102 D HA -0.176 4.464 4.640 -0.001 0.000 0.208 102 D C 0.582 176.954 176.300 0.120 0.000 0.971 102 D CA 0.742 54.879 54.000 0.228 0.000 0.867 102 D CB -0.443 40.545 40.800 0.313 0.000 0.929 102 D HN 0.390 nan 8.370 nan 0.000 0.492 103 H N 0.527 119.633 119.070 0.061 0.000 3.070 103 H HA -0.027 4.529 4.556 -0.000 0.000 0.313 103 H C -1.497 173.820 175.328 -0.019 0.000 0.997 103 H CA -0.736 55.337 56.048 0.042 0.000 1.438 103 H CB 1.292 31.128 29.762 0.125 0.000 1.455 103 H HN 0.095 nan 8.280 nan 0.000 0.575 104 P HA -0.151 nan 4.420 nan 0.000 0.218 104 P C 1.648 178.924 177.300 -0.040 0.000 1.148 104 P CA 0.938 63.947 63.100 -0.152 0.000 0.822 104 P CB 0.362 31.905 31.700 -0.262 0.000 0.784 105 L N -1.526 119.784 121.223 0.144 0.000 2.558 105 L HA 0.112 4.451 4.340 -0.001 0.000 0.225 105 L C 0.945 177.735 176.870 -0.133 0.000 1.128 105 L CA 0.127 54.925 54.840 -0.071 0.000 0.868 105 L CB -0.188 41.707 42.059 -0.274 0.000 1.006 105 L HN -0.121 nan 8.230 nan 0.000 0.454 106 L N 0.043 121.267 121.223 0.001 0.000 2.283 106 L HA 0.230 4.570 4.340 -0.001 0.000 0.281 106 L C 0.805 177.636 176.870 -0.065 0.000 1.033 106 L CA -0.140 54.658 54.840 -0.071 0.000 0.848 106 L CB 0.925 42.946 42.059 -0.062 0.000 1.226 106 L HN 0.000 nan 8.230 nan 0.000 0.429 107 K N 0.232 120.578 120.400 -0.090 0.000 2.367 107 K HA 0.122 4.441 4.320 -0.001 0.000 0.194 107 K C -0.273 176.284 176.600 -0.071 0.000 1.027 107 K CA -0.091 56.152 56.287 -0.074 0.000 1.075 107 K CB 0.477 32.932 32.500 -0.076 0.000 0.845 107 K HN 0.537 nan 8.250 nan 0.000 0.529 108 D N 1.700 122.045 120.400 -0.092 0.000 2.312 108 D HA 0.142 4.782 4.640 -0.001 0.000 0.252 108 D C -0.428 175.829 176.300 -0.073 0.000 1.150 108 D CA 0.042 53.991 54.000 -0.085 0.000 0.870 108 D CB 1.389 42.120 40.800 -0.116 0.000 1.153 108 D HN 0.079 nan 8.370 nan 0.000 0.457 109 A N 3.818 126.613 122.820 -0.041 0.000 2.444 109 A HA 0.264 4.584 4.320 -0.001 0.000 0.273 109 A C 0.410 177.990 177.584 -0.008 0.000 1.136 109 A CA -0.199 51.825 52.037 -0.021 0.000 0.799 109 A CB -0.170 18.823 19.000 -0.011 0.000 1.081 109 A HN 0.570 nan 8.150 nan 0.000 0.509 110 I N 5.576 126.147 120.570 0.001 0.000 2.315 110 I HA 0.252 4.421 4.170 -0.001 0.000 0.291 110 I C -1.878 174.261 176.117 0.038 0.000 1.006 110 I CA -2.215 59.099 61.300 0.024 0.000 1.265 110 I CB 1.630 39.636 38.000 0.009 0.000 1.387 110 I HN 0.472 nan 8.210 nan 0.000 0.475 111 P HA 0.006 nan 4.420 nan 0.000 0.266 111 P C -0.791 176.484 177.300 -0.041 0.000 1.193 111 P CA -0.097 63.056 63.100 0.089 0.000 0.770 111 P CB 0.484 32.303 31.700 0.199 0.000 0.836 112 C N 1.299 120.548 119.300 -0.085 0.000 3.307 112 C HA 0.868 5.327 4.460 -0.001 0.000 0.333 112 C C -0.805 174.117 174.990 -0.113 0.000 1.291 112 C CA -0.965 57.844 59.018 -0.349 0.000 1.273 112 C CB 2.131 29.684 27.740 -0.312 0.000 1.580 112 C HN 0.872 nan 8.230 nan 0.000 0.481 113 R N 1.702 122.131 120.500 -0.119 0.000 2.774 113 R HA 0.823 5.163 4.340 -0.001 0.000 0.272 113 R C -0.337 175.905 176.300 -0.097 0.000 1.000 113 R CA 0.008 56.096 56.100 -0.020 0.000 0.906 113 R CB 1.653 32.024 30.300 0.118 0.000 1.227 113 R HN 1.756 nan 8.270 nan 0.000 0.468 114 A N 1.526 124.293 122.820 -0.088 0.000 2.466 114 A HA 0.474 4.794 4.320 -0.001 0.000 0.238 114 A C 0.405 177.981 177.584 -0.013 0.000 1.074 114 A CA 0.211 52.185 52.037 -0.105 0.000 0.774 114 A CB -0.007 19.047 19.000 0.089 0.000 1.015 114 A HN 0.939 nan 8.150 nan 0.000 0.498 115 A N 1.668 124.485 122.820 -0.005 0.000 2.425 115 A HA 0.452 4.771 4.320 -0.001 0.000 0.242 115 A C 0.695 178.315 177.584 0.060 0.000 1.077 115 A CA -0.251 51.806 52.037 0.034 0.000 0.781 115 A CB -0.004 19.015 19.000 0.032 0.000 1.020 115 A HN 0.852 nan 8.150 nan 0.000 0.494 116 R N 0.114 120.646 120.500 0.053 0.000 2.570 116 R HA 0.368 4.707 4.340 -0.001 0.000 0.277 116 R C 1.429 177.760 176.300 0.051 0.000 1.039 116 R CA 1.610 57.739 56.100 0.049 0.000 1.065 116 R CB 0.186 30.509 30.300 0.039 0.000 0.964 116 R HN 1.427 nan 8.270 nan 0.000 0.428 117 G N 1.872 110.702 108.800 0.050 0.000 2.345 117 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.218 117 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.218 117 G C -0.251 174.685 174.900 0.061 0.000 1.058 117 G CA -0.534 44.594 45.100 0.047 0.000 0.632 117 G HN 0.400 nan 8.290 nan 0.000 0.508 118 L N 1.997 123.275 121.223 0.093 0.000 2.540 118 L HA 0.292 4.632 4.340 -0.001 0.000 0.276 118 L C 1.431 178.364 176.870 0.104 0.000 1.212 118 L CA 0.540 55.459 54.840 0.133 0.000 0.893 118 L CB 0.607 42.811 42.059 0.242 0.000 1.138 118 L HN 0.263 nan 8.230 nan 0.000 0.491 119 N N 0.456 119.199 118.700 0.071 0.000 2.416 119 N HA -0.070 4.670 4.740 -0.001 0.000 0.177 119 N C 0.131 175.620 175.510 -0.034 0.000 1.036 119 N CA 0.351 53.411 53.050 0.016 0.000 0.901 119 N CB -0.242 38.246 38.487 0.002 0.000 0.976 119 N HN 0.583 nan 8.380 nan 0.000 0.444 120 H N 1.728 120.692 119.070 -0.176 0.000 2.848 120 H HA 0.083 4.639 4.556 -0.001 0.000 0.317 120 H C -0.141 174.967 175.328 -0.366 0.000 1.046 120 H CA 0.069 55.848 56.048 -0.448 0.000 1.470 120 H CB 0.394 29.631 29.762 -0.876 0.000 1.483 120 H HN -0.144 nan 8.280 nan 0.000 0.548 121 E N 5.700 125.432 120.200 -0.779 0.000 2.029 121 E HA -0.001 4.349 4.350 -0.001 0.000 0.276 121 E C -0.483 175.682 176.600 -0.725 0.000 1.163 121 E CA -0.052 56.033 56.400 -0.526 0.000 0.909 121 E CB -0.282 29.190 29.700 -0.379 0.000 1.046 121 E HN 0.453 nan 8.360 nan 0.000 0.406 122 F N 3.353 123.156 119.950 -0.245 0.000 2.518 122 F HA 0.082 4.608 4.527 -0.001 0.000 0.359 122 F C 1.311 177.089 175.800 -0.036 0.000 1.118 122 F CA 0.547 58.531 58.000 -0.026 0.000 1.287 122 F CB 0.612 39.669 39.000 0.096 0.000 1.132 122 F HN 0.241 nan 8.300 nan 0.000 0.587 123 K N 1.012 121.548 120.400 0.226 0.000 2.575 123 K HA 0.350 4.670 4.320 -0.001 0.000 0.279 123 K C -1.332 175.397 176.600 0.216 0.000 0.969 123 K CA -1.174 55.201 56.287 0.146 0.000 0.868 123 K CB 1.332 33.850 32.500 0.030 0.000 1.457 123 K HN 0.503 nan 8.250 nan 0.000 0.426 124 E N 0.228 120.525 120.200 0.161 0.000 2.652 124 E HA 0.103 4.452 4.350 -0.001 0.000 0.255 124 E C 0.811 177.550 176.600 0.231 0.000 0.952 124 E CA 2.302 58.791 56.400 0.147 0.000 0.947 124 E CB -0.246 29.513 29.700 0.099 0.000 0.912 124 E HN 0.838 nan 8.360 nan 0.000 0.489 125 G N 3.772 112.636 108.800 0.107 0.000 2.254 125 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.225 125 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.225 125 G C -0.370 174.477 174.900 -0.088 0.000 1.003 125 G CA 0.099 45.176 45.100 -0.037 0.000 0.622 125 G HN 0.808 nan 8.290 nan 0.000 0.507 126 D N 0.042 120.603 120.400 0.269 0.000 2.255 126 D HA 0.485 5.125 4.640 -0.001 0.000 0.249 126 D C 0.115 176.575 176.300 0.267 0.000 1.078 126 D CA -0.778 53.474 54.000 0.420 0.000 0.896 126 D CB 0.513 41.825 40.800 0.855 0.000 1.194 126 D HN 0.342 nan 8.370 nan 0.000 0.429 127 W N 1.330 122.768 121.300 0.230 0.000 2.218 127 W HA 0.555 5.214 4.660 -0.000 0.000 0.326 127 W C 0.225 176.860 176.519 0.193 0.000 1.276 127 W CA -0.355 57.090 57.345 0.167 0.000 1.210 127 W CB 1.135 30.658 29.460 0.105 0.000 1.143 127 W HN 0.609 nan 8.180 nan 0.000 0.563 128 A N 1.844 124.899 122.820 0.391 0.000 2.556 128 A HA 0.658 4.977 4.320 -0.001 0.000 0.294 128 A C -1.606 176.037 177.584 0.098 0.000 1.091 128 A CA -0.847 51.368 52.037 0.295 0.000 0.704 128 A CB 1.652 20.814 19.000 0.270 0.000 1.300 128 A HN 0.724 nan 8.150 nan 0.000 0.406 129 V N 1.286 121.217 119.914 0.028 0.000 2.350 129 V HA 0.767 4.886 4.120 -0.001 0.000 0.276 129 V C 0.203 176.146 176.094 -0.252 0.000 1.028 129 V CA 0.339 62.569 62.300 -0.116 0.000 0.860 129 V CB 0.427 32.221 31.823 -0.049 0.000 0.990 129 V HN 1.792 nan 8.190 nan 0.000 0.453 130 A N 5.750 128.233 122.820 -0.560 0.000 2.299 130 A HA 0.922 5.241 4.320 -0.001 0.000 0.332 130 A C -0.398 176.880 177.584 -0.509 0.000 1.131 130 A CA -0.764 50.896 52.037 -0.628 0.000 0.844 130 A CB 1.290 19.768 19.000 -0.871 0.000 1.251 130 A HN 0.815 nan 8.150 nan 0.000 0.486 131 E N 1.388 121.459 120.200 -0.214 0.000 2.199 131 E HA 0.296 4.646 4.350 -0.001 0.000 0.265 131 E C -0.898 175.785 176.600 0.138 0.000 0.882 131 E CA -0.819 55.586 56.400 0.009 0.000 0.759 131 E CB 1.583 31.288 29.700 0.007 0.000 1.148 131 E HN 0.554 nan 8.360 nan 0.000 0.412 132 M N 2.919 122.686 119.600 0.278 0.000 2.268 132 M HA 0.069 4.549 4.480 -0.001 0.000 0.349 132 M C 1.172 177.580 176.300 0.180 0.000 1.485 132 M CA 0.515 55.961 55.300 0.243 0.000 1.094 132 M CB 0.022 32.748 32.600 0.210 0.000 1.843 132 M HN 0.279 nan 8.290 nan 0.000 0.460 133 R N 1.860 122.475 120.500 0.193 0.000 2.344 133 R HA 0.265 4.605 4.340 -0.001 0.000 0.209 133 R C 0.160 176.590 176.300 0.218 0.000 0.886 133 R CA 0.160 56.382 56.100 0.203 0.000 1.040 133 R CB 0.919 31.378 30.300 0.266 0.000 1.114 133 R HN 0.565 nan 8.270 nan 0.000 0.547 134 R N 0.740 121.389 120.500 0.249 0.000 2.518 134 R HA 0.212 4.552 4.340 -0.001 0.000 0.287 134 R C -1.715 174.688 176.300 0.172 0.000 1.135 134 R CA -0.366 55.855 56.100 0.202 0.000 0.967 134 R CB 1.161 31.603 30.300 0.238 0.000 1.212 134 R HN -0.005 nan 8.270 nan 0.000 0.422 135 H N 4.960 124.031 119.070 0.003 0.000 2.529 135 H HA 0.307 4.862 4.556 -0.001 0.000 0.348 135 H C -2.149 173.022 175.328 -0.262 0.000 1.079 135 H CA -2.215 53.749 56.048 -0.140 0.000 1.198 135 H CB 2.557 32.325 29.762 0.011 0.000 1.521 135 H HN 0.331 nan 8.280 nan 0.000 0.514 136 P HA -0.163 nan 4.420 nan 0.000 0.218 136 P C 1.549 178.855 177.300 0.009 0.000 1.148 136 P CA 0.528 63.485 63.100 -0.239 0.000 0.822 136 P CB 0.510 31.950 31.700 -0.433 0.000 0.784 137 L N -1.027 120.347 121.223 0.252 0.000 2.552 137 L HA -0.001 4.339 4.340 -0.001 0.000 0.227 137 L C 1.453 178.325 176.870 0.003 0.000 1.146 137 L CA 1.673 56.565 54.840 0.087 0.000 0.858 137 L CB -0.948 41.113 42.059 0.003 0.000 0.969 137 L HN -0.076 nan 8.230 nan 0.000 0.451 138 K N -0.729 119.689 120.400 0.030 0.000 2.374 138 K HA 0.262 4.582 4.320 -0.001 0.000 0.196 138 K C 1.281 177.884 176.600 0.005 0.000 1.023 138 K CA 0.705 56.996 56.287 0.007 0.000 1.103 138 K CB 0.556 33.077 32.500 0.034 0.000 0.848 138 K HN 0.307 nan 8.250 nan 0.000 0.528 139 G N 1.455 110.254 108.800 -0.001 0.000 2.195 139 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.224 139 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.224 139 G C -0.166 174.719 174.900 -0.024 0.000 0.990 139 G CA -0.161 44.932 45.100 -0.012 0.000 0.639 139 G HN 0.267 nan 8.290 nan 0.000 0.514 140 D N -0.351 120.033 120.400 -0.027 0.000 2.360 140 D HA 0.314 4.954 4.640 -0.001 0.000 0.242 140 D C 1.453 177.708 176.300 -0.075 0.000 1.184 140 D CA -0.271 53.702 54.000 -0.044 0.000 0.930 140 D CB 0.686 41.467 40.800 -0.032 0.000 1.161 140 D HN 0.221 nan 8.370 nan 0.000 0.447 141 R N -0.118 120.338 120.500 -0.074 0.000 2.075 141 R HA -0.085 4.254 4.340 -0.001 0.000 0.232 141 R C 0.446 176.682 176.300 -0.106 0.000 1.126 141 R CA 1.123 57.178 56.100 -0.075 0.000 0.963 141 R CB 0.191 30.453 30.300 -0.062 0.000 0.858 141 R HN 0.607 nan 8.270 nan 0.000 0.435 142 S N -2.679 112.945 115.700 -0.125 0.000 2.703 142 S HA 0.281 4.751 4.470 -0.001 0.000 0.273 142 S C -0.783 173.708 174.600 -0.181 0.000 1.178 142 S CA -1.090 57.007 58.200 -0.173 0.000 0.838 142 S CB 0.439 63.616 63.200 -0.037 0.000 1.178 142 S HN 0.053 nan 8.310 nan 0.000 0.494 143 F N 1.491 121.430 119.950 -0.018 0.000 2.484 143 F HA 0.569 5.096 4.527 -0.000 0.000 0.360 143 F C 0.063 175.939 175.800 0.126 0.000 1.101 143 F CA 0.452 58.446 58.000 -0.010 0.000 1.251 143 F CB 0.484 39.433 39.000 -0.084 0.000 1.132 143 F HN 0.674 nan 8.300 nan 0.000 0.570 144 Y N 2.280 122.692 120.300 0.187 0.000 2.519 144 Y HA 0.659 5.208 4.550 -0.000 0.000 0.336 144 Y C -1.397 174.591 175.900 0.147 0.000 1.089 144 Y CA -1.160 57.017 58.100 0.129 0.000 1.025 144 Y CB 1.215 39.719 38.460 0.073 0.000 1.318 144 Y HN 0.701 nan 8.280 nan 0.000 0.452 145 A N 4.255 126.769 122.820 -0.510 0.000 2.384 145 A HA 0.723 5.043 4.320 -0.001 0.000 0.312 145 A C -1.366 175.829 177.584 -0.648 0.000 1.113 145 A CA -0.753 51.086 52.037 -0.330 0.000 0.779 145 A CB 1.325 20.329 19.000 0.008 0.000 1.307 145 A HN 0.748 nan 8.150 nan 0.000 0.436 146 E N 1.524 121.539 120.200 -0.308 0.000 2.199 146 E HA 0.585 4.935 4.350 -0.001 0.000 0.269 146 E C -1.420 175.018 176.600 -0.269 0.000 0.899 146 E CA -0.700 55.541 56.400 -0.265 0.000 0.772 146 E CB 1.221 30.869 29.700 -0.087 0.000 1.155 146 E HN 0.515 nan 8.360 nan 0.000 0.408 147 L N 3.648 124.659 121.223 -0.354 0.000 2.433 147 L HA 0.132 4.472 4.340 -0.001 0.000 0.275 147 L C 0.599 177.292 176.870 -0.296 0.000 1.128 147 L CA -0.065 54.491 54.840 -0.473 0.000 0.875 147 L CB 0.629 42.112 42.059 -0.960 0.000 1.171 147 L HN 0.827 nan 8.230 nan 0.000 0.463 148 T N 0.717 115.175 114.554 -0.161 0.000 3.038 148 T HA 0.056 4.405 4.350 -0.001 0.000 0.244 148 T C 0.360 175.109 174.700 0.081 0.000 1.016 148 T CA 0.358 62.438 62.100 -0.032 0.000 1.098 148 T CB 0.322 69.160 68.868 -0.051 0.000 0.954 148 T HN 0.381 nan 8.240 nan 0.000 0.469 149 Q N 0.117 119.992 119.800 0.125 0.000 2.389 149 Q HA 0.436 4.776 4.340 -0.001 0.000 0.277 149 Q C -1.931 174.298 176.000 0.382 0.000 1.082 149 Q CA -0.969 54.963 55.803 0.215 0.000 0.810 149 Q CB 1.408 30.202 28.738 0.093 0.000 1.374 149 Q HN 0.330 nan 8.270 nan 0.000 0.422 150 Y N 4.050 124.470 120.300 0.202 0.000 2.404 150 Y HA 0.343 4.893 4.550 -0.000 0.000 0.344 150 Y C -0.009 175.870 175.900 -0.035 0.000 0.995 150 Y CA -0.071 58.032 58.100 0.006 0.000 1.201 150 Y CB 0.298 38.397 38.460 -0.602 0.000 1.151 150 Y HN 0.799 nan 8.280 nan 0.000 0.517 151 I N 3.074 123.439 120.570 -0.342 0.000 2.270 151 I HA 0.009 4.178 4.170 -0.001 0.000 0.239 151 I C 0.790 176.483 176.117 -0.707 0.000 1.080 151 I CA 1.109 62.194 61.300 -0.357 0.000 1.383 151 I CB -0.028 37.959 38.000 -0.022 0.000 1.097 151 I HN 0.653 nan 8.210 nan 0.000 0.420 152 T N -1.695 112.473 114.554 -0.643 0.000 2.774 152 T HA 0.206 4.556 4.350 -0.001 0.000 0.325 152 T C -1.671 173.190 174.700 0.268 0.000 1.753 152 T CA -0.714 61.169 62.100 -0.361 0.000 1.024 152 T CB 0.467 69.337 68.868 0.003 0.000 1.628 152 T HN -0.102 nan 8.240 nan 0.000 0.497 153 F N 2.015 122.131 119.950 0.277 0.000 2.459 153 F HA 0.533 5.060 4.527 -0.000 0.000 0.346 153 F C 1.595 177.602 175.800 0.345 0.000 1.128 153 F CA 0.370 58.571 58.000 0.335 0.000 1.268 153 F CB 0.814 39.973 39.000 0.265 0.000 1.161 153 F HN 0.677 nan 8.300 nan 0.000 0.583 154 G N 2.259 110.786 108.800 -0.455 0.000 2.485 154 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.221 154 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.221 154 G C 1.003 175.827 174.900 -0.126 0.000 1.115 154 G CA 1.064 46.055 45.100 -0.181 0.000 0.751 154 G HN 0.745 nan 8.290 nan 0.000 0.567 155 D N 0.175 120.421 120.400 -0.256 0.000 2.350 155 D HA -0.029 4.611 4.640 -0.001 0.000 0.213 155 D C 0.527 176.780 176.300 -0.079 0.000 1.031 155 D CA -0.303 53.636 54.000 -0.102 0.000 0.861 155 D CB -0.443 40.356 40.800 -0.002 0.000 0.926 155 D HN 0.134 nan 8.370 nan 0.000 0.520 156 D N 0.696 121.143 120.400 0.079 0.000 2.502 156 D HA -0.123 4.516 4.640 -0.001 0.000 0.249 156 D C 0.553 176.888 176.300 0.058 0.000 1.188 156 D CA 0.254 54.344 54.000 0.150 0.000 0.890 156 D CB 0.397 41.369 40.800 0.286 0.000 1.140 156 D HN 0.231 nan 8.370 nan 0.000 0.505 157 H N 2.788 121.940 119.070 0.137 0.000 2.489 157 H HA -0.104 4.452 4.556 -0.001 0.000 0.295 157 H C 0.940 176.164 175.328 -0.173 0.000 1.082 157 H CA 1.073 57.115 56.048 -0.011 0.000 1.295 157 H CB 0.023 29.764 29.762 -0.036 0.000 1.380 157 H HN 0.406 nan 8.280 nan 0.000 0.548 158 F N -0.786 119.172 119.950 0.013 0.000 2.692 158 F HA 0.056 4.583 4.527 -0.001 0.000 0.303 158 F C 1.667 177.213 175.800 -0.423 0.000 1.114 158 F CA -0.189 57.661 58.000 -0.250 0.000 1.361 158 F CB 0.058 38.678 39.000 -0.633 0.000 1.063 158 F HN -0.053 nan 8.300 nan 0.000 0.550 159 V N 1.817 121.609 119.914 -0.203 0.000 2.252 159 V HA -0.323 3.796 4.120 -0.001 0.000 0.255 159 V C -0.179 175.366 176.094 -0.915 0.000 1.071 159 V CA 2.404 64.428 62.300 -0.460 0.000 1.050 159 V CB -1.289 30.287 31.823 -0.412 0.000 0.654 159 V HN 0.215 nan 8.190 nan 0.000 0.448 160 P HA -0.172 nan 4.420 nan 0.000 0.217 160 P C 1.523 178.225 177.300 -0.997 0.000 1.148 160 P CA 1.770 63.781 63.100 -1.814 0.000 0.828 160 P CB -0.108 30.488 31.700 -1.840 0.000 0.783 161 W N -1.723 119.099 121.300 -0.797 0.000 2.444 161 W HA -0.026 4.633 4.660 -0.001 0.000 0.308 161 W C 2.267 178.560 176.519 -0.376 0.000 1.183 161 W CA 0.819 57.795 57.345 -0.615 0.000 1.340 161 W CB -1.341 27.675 29.460 -0.740 0.000 1.138 161 W HN 0.058 nan 8.180 nan 0.000 0.510 162 W N 0.236 121.581 121.300 0.075 0.000 2.388 162 W HA -0.137 4.523 4.660 0.000 0.000 0.294 162 W C 2.151 178.588 176.519 -0.136 0.000 1.212 162 W CA 0.171 57.496 57.345 -0.033 0.000 1.271 162 W CB -1.141 28.275 29.460 -0.074 0.000 1.126 162 W HN -0.393 nan 8.180 nan 0.000 0.535 163 V N 0.631 120.474 119.914 -0.118 0.000 2.270 163 V HA -0.290 3.829 4.120 -0.001 0.000 0.245 163 V C 2.173 178.214 176.094 -0.088 0.000 1.043 163 V CA 2.441 64.624 62.300 -0.196 0.000 1.014 163 V CB -1.352 30.145 31.823 -0.544 0.000 0.645 163 V HN 0.183 nan 8.190 nan 0.000 0.447 164 T N 0.536 115.022 114.554 -0.114 0.000 2.720 164 T HA -0.147 4.203 4.350 -0.001 0.000 0.268 164 T C 1.885 176.601 174.700 0.027 0.000 1.037 164 T CA 1.629 63.701 62.100 -0.046 0.000 1.144 164 T CB -0.315 68.522 68.868 -0.052 0.000 0.864 164 T HN 0.284 nan 8.240 nan 0.000 0.444 165 L N 0.649 121.921 121.223 0.082 0.000 2.056 165 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 165 L C 3.066 179.997 176.870 0.103 0.000 1.078 165 L CA 1.141 56.065 54.840 0.140 0.000 0.749 165 L CB -0.700 41.482 42.059 0.205 0.000 0.901 165 L HN 0.232 nan 8.230 nan 0.000 0.433 166 A N 0.283 123.148 122.820 0.075 0.000 1.883 166 A HA -0.276 4.044 4.320 -0.001 0.000 0.217 166 A C 2.413 179.997 177.584 0.001 0.000 1.186 166 A CA 1.982 54.044 52.037 0.040 0.000 0.624 166 A CB -0.646 18.376 19.000 0.037 0.000 0.822 166 A HN 0.361 nan 8.150 nan 0.000 0.444 167 R N -1.147 119.317 120.500 -0.060 0.000 2.103 167 R HA -0.196 4.143 4.340 -0.001 0.000 0.242 167 R C 1.464 177.640 176.300 -0.207 0.000 1.142 167 R CA 1.912 57.913 56.100 -0.165 0.000 0.960 167 R CB -0.344 29.780 30.300 -0.294 0.000 0.858 167 R HN 0.672 nan 8.270 nan 0.000 0.439 168 H N -0.439 118.653 119.070 0.036 0.000 2.526 168 H HA 0.066 4.622 4.556 -0.001 0.000 0.274 168 H C 0.204 175.549 175.328 0.028 0.000 0.999 168 H CA 0.279 56.343 56.048 0.027 0.000 1.157 168 H CB -0.058 29.713 29.762 0.015 0.000 1.407 168 H HN 0.257 nan 8.280 nan 0.000 0.568 169 N N 0.937 119.699 118.700 0.103 0.000 2.714 169 N HA -0.187 4.553 4.740 -0.001 0.000 0.252 169 N C -0.949 174.610 175.510 0.081 0.000 1.014 169 N CA 0.212 53.306 53.050 0.074 0.000 0.735 169 N CB -1.505 37.016 38.487 0.057 0.000 0.924 169 N HN 0.351 nan 8.380 nan 0.000 0.540 170 L N 0.225 121.507 121.223 0.099 0.000 2.352 170 L HA 0.417 4.756 4.340 -0.001 0.000 0.269 170 L C 0.731 177.648 176.870 0.077 0.000 1.034 170 L CA -1.048 53.843 54.840 0.086 0.000 0.806 170 L CB 1.022 43.139 42.059 0.098 0.000 1.244 170 L HN 0.135 nan 8.230 nan 0.000 0.447 171 E N 1.392 121.628 120.200 0.060 0.000 2.376 171 E HA 0.026 4.375 4.350 -0.001 0.000 0.266 171 E C 0.102 176.754 176.600 0.087 0.000 1.009 171 E CA 0.114 56.543 56.400 0.049 0.000 0.902 171 E CB 0.534 30.249 29.700 0.026 0.000 0.972 171 E HN 0.283 nan 8.360 nan 0.000 0.439 172 K N 2.513 122.958 120.400 0.074 0.000 2.404 172 K HA 0.111 4.431 4.320 -0.001 0.000 0.194 172 K C -0.230 176.422 176.600 0.087 0.000 1.023 172 K CA 0.484 56.853 56.287 0.137 0.000 1.094 172 K CB 0.388 32.897 32.500 0.014 0.000 0.841 172 K HN 0.494 nan 8.250 nan 0.000 0.523 173 E N 0.271 120.486 120.200 0.025 0.000 2.383 173 E HA 0.440 4.790 4.350 -0.001 0.000 0.275 173 E C -1.385 175.207 176.600 -0.014 0.000 0.918 173 E CA -0.772 55.614 56.400 -0.023 0.000 0.764 173 E CB 2.027 31.678 29.700 -0.081 0.000 1.252 173 E HN 0.070 nan 8.360 nan 0.000 0.449 174 A N 2.699 125.502 122.820 -0.028 0.000 2.498 174 A HA 0.286 4.606 4.320 -0.001 0.000 0.239 174 A C -2.160 175.398 177.584 -0.042 0.000 1.068 174 A CA -0.828 51.189 52.037 -0.033 0.000 0.766 174 A CB -0.630 18.343 19.000 -0.044 0.000 1.003 174 A HN 0.276 nan 8.150 nan 0.000 0.497 175 P HA -0.019 nan 4.420 nan 0.000 0.263 175 P C -0.064 177.210 177.300 -0.044 0.000 1.175 175 P CA 0.546 63.622 63.100 -0.040 0.000 0.761 175 P CB 0.470 32.147 31.700 -0.039 0.000 0.794 176 D N 1.247 121.622 120.400 -0.041 0.000 2.349 176 D HA 0.019 4.658 4.640 -0.001 0.000 0.224 176 D C 1.012 177.290 176.300 -0.037 0.000 1.029 176 D CA 0.118 54.093 54.000 -0.042 0.000 0.879 176 D CB -0.553 40.223 40.800 -0.040 0.000 0.906 176 D HN 0.349 nan 8.370 nan 0.000 0.528 177 G N -0.247 108.532 108.800 -0.034 0.000 2.634 177 G HA2 0.385 4.345 3.960 -0.001 0.000 0.255 177 G HA3 0.385 4.345 3.960 -0.001 0.000 0.255 177 G C -0.744 174.135 174.900 -0.034 0.000 1.205 177 G CA -0.478 44.606 45.100 -0.028 0.000 0.884 177 G HN 0.191 nan 8.290 nan 0.000 0.549 178 V N 0.476 120.375 119.914 -0.025 0.000 2.531 178 V HA 0.648 4.768 4.120 -0.001 0.000 0.301 178 V C 0.601 176.682 176.094 -0.022 0.000 1.034 178 V CA -0.410 61.870 62.300 -0.032 0.000 0.865 178 V CB 1.073 32.882 31.823 -0.025 0.000 0.995 178 V HN 1.280 nan 8.190 nan 0.000 0.424 179 A N 4.294 127.076 122.820 -0.064 0.000 2.565 179 A HA 0.342 4.661 4.320 -0.001 0.000 0.237 179 A C 1.179 178.788 177.584 0.043 0.000 1.053 179 A CA 1.206 53.202 52.037 -0.070 0.000 0.755 179 A CB 0.466 19.293 19.000 -0.287 0.000 0.980 179 A HN 1.183 nan 8.150 nan 0.000 0.506 180 T N 0.143 114.808 114.554 0.185 0.000 3.138 180 T HA 0.289 4.639 4.350 -0.001 0.000 0.245 180 T C 0.262 175.121 174.700 0.264 0.000 0.982 180 T CA 0.973 63.183 62.100 0.183 0.000 1.134 180 T CB -0.117 68.829 68.868 0.130 0.000 1.032 180 T HN 0.866 nan 8.240 nan 0.000 0.442 181 E N 0.372 120.812 120.200 0.400 0.000 2.935 181 E HA 0.138 4.487 4.350 -0.001 0.000 0.321 181 E C -1.610 174.893 176.600 -0.162 0.000 1.070 181 E CA -0.329 56.166 56.400 0.157 0.000 0.882 181 E CB 1.172 30.905 29.700 0.055 0.000 1.224 181 E HN 0.325 nan 8.360 nan 0.000 0.445 182 M N 5.340 124.517 119.600 -0.705 0.000 2.188 182 M HA 0.276 4.755 4.480 -0.001 0.000 0.354 182 M C -0.771 175.255 176.300 -0.455 0.000 1.342 182 M CA -0.108 54.580 55.300 -1.019 0.000 1.117 182 M CB 0.202 32.038 32.600 -1.273 0.000 1.670 182 M HN 0.451 nan 8.290 nan 0.000 0.466 183 L N 3.502 124.516 121.223 -0.348 0.000 2.375 183 L HA 0.277 4.617 4.340 -0.001 0.000 0.271 183 L C -0.084 176.687 176.870 -0.164 0.000 1.107 183 L CA -0.550 54.179 54.840 -0.185 0.000 0.806 183 L CB 0.837 42.828 42.059 -0.113 0.000 1.146 183 L HN 0.576 nan 8.230 nan 0.000 0.447 184 D N 1.060 121.393 120.400 -0.112 0.000 2.411 184 D HA 0.110 4.749 4.640 -0.001 0.000 0.225 184 D C 0.250 176.513 176.300 -0.062 0.000 1.156 184 D CA -0.151 53.797 54.000 -0.086 0.000 0.874 184 D CB 0.823 41.582 40.800 -0.069 0.000 1.034 184 D HN 0.493 nan 8.370 nan 0.000 0.502 185 E N 2.263 122.427 120.200 -0.058 0.000 2.437 185 E HA 0.211 4.561 4.350 -0.001 0.000 0.189 185 E C 1.373 177.954 176.600 -0.031 0.000 1.054 185 E CA 0.113 56.488 56.400 -0.041 0.000 0.874 185 E CB 0.317 29.994 29.700 -0.038 0.000 1.011 185 E HN 0.770 nan 8.360 nan 0.000 0.474 186 G N 1.271 110.052 108.800 -0.032 0.000 2.184 186 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.264 186 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.264 186 G C 0.290 175.179 174.900 -0.019 0.000 0.975 186 G CA 0.009 45.094 45.100 -0.023 0.000 0.642 186 G HN 0.211 nan 8.290 nan 0.000 0.536 187 L N 0.636 121.846 121.223 -0.022 0.000 2.467 187 L HA 0.467 4.807 4.340 -0.001 0.000 0.270 187 L C 1.087 177.954 176.870 -0.006 0.000 1.205 187 L CA -0.612 54.221 54.840 -0.011 0.000 0.828 187 L CB 1.154 43.203 42.059 -0.016 0.000 1.101 187 L HN 0.163 nan 8.230 nan 0.000 0.479 188 V N 0.451 120.372 119.914 0.012 0.000 2.328 188 V HA 0.430 4.549 4.120 -0.001 0.000 0.278 188 V C 0.028 176.146 176.094 0.041 0.000 1.021 188 V CA -0.856 61.454 62.300 0.018 0.000 0.838 188 V CB 0.768 32.602 31.823 0.019 0.000 0.999 188 V HN 0.649 nan 8.190 nan 0.000 0.447 189 R N 3.349 123.865 120.500 0.026 0.000 2.235 189 R HA 0.297 4.636 4.340 -0.001 0.000 0.338 189 R C 0.026 176.364 176.300 0.064 0.000 1.087 189 R CA -0.288 55.836 56.100 0.040 0.000 0.948 189 R CB 0.830 31.129 30.300 -0.001 0.000 1.099 189 R HN 0.775 nan 8.270 nan 0.000 0.483 190 E N 1.939 122.222 120.200 0.138 0.000 2.652 190 E HA -0.153 4.197 4.350 -0.001 0.000 0.255 190 E C -0.283 176.372 176.600 0.091 0.000 0.952 190 E CA 0.566 57.047 56.400 0.136 0.000 0.947 190 E CB 0.428 30.283 29.700 0.258 0.000 0.912 190 E HN 0.329 nan 8.360 nan 0.000 0.489 191 D N 4.442 124.869 120.400 0.046 0.000 2.422 191 D HA 0.042 4.681 4.640 -0.001 0.000 0.227 191 D C -0.136 176.176 176.300 0.021 0.000 1.190 191 D CA -0.265 53.746 54.000 0.019 0.000 0.905 191 D CB 0.467 41.270 40.800 0.005 0.000 1.034 191 D HN 0.213 nan 8.370 nan 0.000 0.507 192 L N 3.264 124.496 121.223 0.015 0.000 2.628 192 L HA 0.113 4.453 4.340 -0.001 0.000 0.229 192 L C 2.296 179.163 176.870 -0.005 0.000 1.137 192 L CA 0.228 55.083 54.840 0.024 0.000 0.909 192 L CB -0.390 41.711 42.059 0.069 0.000 1.137 192 L HN 0.355 nan 8.230 nan 0.000 0.470 193 T N 0.046 114.586 114.554 -0.023 0.000 2.751 193 T HA -0.280 4.070 4.350 -0.001 0.000 0.268 193 T C 1.832 176.537 174.700 0.008 0.000 1.045 193 T CA 1.726 63.816 62.100 -0.016 0.000 1.142 193 T CB 0.046 68.905 68.868 -0.016 0.000 0.851 193 T HN 0.473 nan 8.240 nan 0.000 0.474 194 A N 0.025 122.847 122.820 0.004 0.000 2.169 194 A HA 0.339 4.658 4.320 -0.001 0.000 0.212 194 A C 0.891 178.478 177.584 0.005 0.000 1.153 194 A CA 0.191 52.233 52.037 0.007 0.000 0.756 194 A CB -0.141 18.858 19.000 -0.000 0.000 0.813 194 A HN 0.473 nan 8.150 nan 0.000 0.471 195 L N 0.286 121.497 121.223 -0.019 0.000 2.418 195 L HA 0.188 4.527 4.340 -0.001 0.000 0.265 195 L C -0.277 176.625 176.870 0.054 0.000 1.143 195 L CA -0.656 54.101 54.840 -0.139 0.000 0.809 195 L CB 0.500 42.190 42.059 -0.614 0.000 1.124 195 L HN 0.119 nan 8.230 nan 0.000 0.456 196 D N 2.304 122.788 120.400 0.140 0.000 2.934 196 D HA 0.135 4.774 4.640 -0.001 0.000 0.237 196 D C -0.150 176.346 176.300 0.326 0.000 1.158 196 D CA 0.234 54.386 54.000 0.253 0.000 0.971 196 D CB -0.258 40.688 40.800 0.245 0.000 1.123 196 D HN 0.136 nan 8.370 nan 0.000 0.467 197 F N 0.824 120.887 119.950 0.188 0.000 2.518 197 F HA 0.028 4.555 4.527 -0.001 0.000 0.359 197 F C 1.103 176.969 175.800 0.110 0.000 1.118 197 F CA -0.252 57.857 58.000 0.181 0.000 1.287 197 F CB 0.735 39.783 39.000 0.079 0.000 1.132 197 F HN -0.064 nan 8.300 nan 0.000 0.587 198 V N -0.418 119.643 119.914 0.246 0.000 3.074 198 V HA 0.893 5.012 4.120 -0.001 0.000 0.314 198 V C -0.506 175.648 176.094 0.101 0.000 1.117 198 V CA -0.808 61.572 62.300 0.133 0.000 1.014 198 V CB 1.697 33.561 31.823 0.068 0.000 1.057 198 V HN 0.779 nan 8.190 nan 0.000 0.438 199 T N 0.030 114.600 114.554 0.027 0.000 2.863 199 T HA 0.811 5.160 4.350 -0.001 0.000 0.285 199 T C -0.683 173.944 174.700 -0.121 0.000 1.009 199 T CA -0.546 61.536 62.100 -0.030 0.000 0.989 199 T CB 1.512 70.356 68.868 -0.041 0.000 1.004 199 T HN 0.786 nan 8.240 nan 0.000 0.455 200 I N 2.491 122.943 120.570 -0.196 0.000 2.410 200 I HA 0.529 4.698 4.170 -0.001 0.000 0.286 200 I C -0.832 174.831 176.117 -0.757 0.000 1.009 200 I CA -0.688 60.371 61.300 -0.401 0.000 1.111 200 I CB 1.534 39.351 38.000 -0.304 0.000 1.262 200 I HN 0.665 nan 8.210 nan 0.000 0.443 201 D N 3.096 122.988 120.400 -0.847 0.000 2.643 201 D HA 0.271 4.910 4.640 -0.001 0.000 0.283 201 D C -0.797 175.220 176.300 -0.471 0.000 1.242 201 D CA -0.502 53.049 54.000 -0.749 0.000 0.863 201 D CB 2.276 42.896 40.800 -0.299 0.000 1.382 201 D HN 0.316 nan 8.370 nan 0.000 0.444 202 S N 0.242 115.901 115.700 -0.069 0.000 2.558 202 S HA 0.176 4.645 4.470 -0.001 0.000 0.288 202 S C 1.314 175.885 174.600 -0.048 0.000 1.318 202 S CA -0.050 58.176 58.200 0.043 0.000 1.056 202 S CB 1.177 64.415 63.200 0.063 0.000 0.853 202 S HN 0.572 nan 8.310 nan 0.000 0.505 203 A N 2.654 125.450 122.820 -0.040 0.000 2.024 203 A HA -0.127 4.192 4.320 -0.001 0.000 0.220 203 A C 2.196 179.761 177.584 -0.032 0.000 1.164 203 A CA 1.787 53.791 52.037 -0.055 0.000 0.643 203 A CB -0.846 18.127 19.000 -0.045 0.000 0.806 203 A HN 0.945 nan 8.150 nan 0.000 0.451 204 S N -1.633 114.062 115.700 -0.008 0.000 2.575 204 S HA 0.095 4.564 4.470 -0.001 0.000 0.215 204 S C 0.642 175.249 174.600 0.012 0.000 0.966 204 S CA 0.376 58.582 58.200 0.009 0.000 0.911 204 S CB -0.588 62.630 63.200 0.030 0.000 0.780 204 S HN 0.300 nan 8.310 nan 0.000 0.514 205 T N 2.647 117.196 114.554 -0.007 0.000 2.870 205 T HA 0.245 4.594 4.350 -0.001 0.000 0.300 205 T C 0.613 175.311 174.700 -0.003 0.000 0.989 205 T CA 0.189 62.286 62.100 -0.004 0.000 1.139 205 T CB 1.136 69.984 68.868 -0.034 0.000 0.920 205 T HN 0.269 nan 8.240 nan 0.000 0.537 206 E N 1.262 121.474 120.200 0.020 0.000 2.508 206 E HA 0.059 4.409 4.350 -0.001 0.000 0.217 206 E C -0.063 176.542 176.600 0.008 0.000 0.896 206 E CA -0.015 56.391 56.400 0.010 0.000 1.118 206 E CB 0.537 30.249 29.700 0.019 0.000 1.133 206 E HN 0.689 nan 8.360 nan 0.000 0.526 207 D N 0.697 121.113 120.400 0.026 0.000 2.483 207 D HA 0.138 4.778 4.640 -0.001 0.000 0.281 207 D C -0.501 175.806 176.300 0.010 0.000 1.174 207 D CA -0.410 53.604 54.000 0.024 0.000 0.938 207 D CB 0.021 40.856 40.800 0.059 0.000 1.002 207 D HN -0.060 nan 8.370 nan 0.000 0.501 208 M N 1.698 121.290 119.600 -0.012 0.000 2.251 208 M HA 0.155 4.634 4.480 -0.001 0.000 0.346 208 M C 1.447 177.733 176.300 -0.023 0.000 1.499 208 M CA -0.097 55.187 55.300 -0.026 0.000 1.128 208 M CB 0.576 33.154 32.600 -0.037 0.000 1.809 208 M HN 0.130 nan 8.290 nan 0.000 0.464 209 N N 1.710 120.394 118.700 -0.027 0.000 2.368 209 N HA -0.017 4.722 4.740 -0.001 0.000 0.176 209 N C -0.484 174.994 175.510 -0.054 0.000 1.021 209 N CA 0.698 53.726 53.050 -0.038 0.000 0.888 209 N CB 0.472 38.932 38.487 -0.045 0.000 0.995 209 N HN 0.694 nan 8.380 nan 0.000 0.437 210 D N -0.041 120.327 120.400 -0.052 0.000 2.619 210 D HA 0.561 5.201 4.640 -0.001 0.000 0.241 210 D C -1.150 175.147 176.300 -0.004 0.000 1.087 210 D CA -0.678 53.290 54.000 -0.053 0.000 0.851 210 D CB 2.566 43.321 40.800 -0.075 0.000 1.474 210 D HN -0.091 nan 8.370 nan 0.000 0.478 211 A N 1.801 124.650 122.820 0.049 0.000 2.435 211 A HA 0.708 5.027 4.320 -0.001 0.000 0.304 211 A C -1.169 176.601 177.584 0.309 0.000 1.064 211 A CA -0.824 51.311 52.037 0.163 0.000 0.727 211 A CB 1.509 20.607 19.000 0.163 0.000 1.284 211 A HN 0.563 nan 8.150 nan 0.000 0.415 212 L N 1.014 122.423 121.223 0.311 0.000 2.381 212 L HA 0.761 5.101 4.340 -0.001 0.000 0.268 212 L C -1.196 175.675 176.870 0.001 0.000 0.997 212 L CA -0.502 54.444 54.840 0.177 0.000 0.818 212 L CB 2.203 44.303 42.059 0.067 0.000 1.310 212 L HN 0.780 nan 8.230 nan 0.000 0.416 213 F N 2.058 121.759 119.950 -0.415 0.000 2.596 213 F HA 0.805 5.332 4.527 0.000 0.000 0.311 213 F C -1.104 174.508 175.800 -0.313 0.000 1.116 213 F CA -0.414 57.207 58.000 -0.632 0.000 0.957 213 F CB 1.688 39.763 39.000 -1.541 0.000 1.250 213 F HN 0.475 nan 8.300 nan 0.000 0.444 214 A N 5.821 127.976 122.820 -1.107 0.000 2.401 214 A HA 0.786 5.106 4.320 -0.001 0.000 0.310 214 A C -1.614 175.450 177.584 -0.867 0.000 1.075 214 A CA -0.803 50.810 52.037 -0.708 0.000 0.746 214 A CB 1.881 20.665 19.000 -0.360 0.000 1.277 214 A HN 0.761 nan 8.150 nan 0.000 0.425 215 K N 1.366 121.513 120.400 -0.422 0.000 2.501 215 K HA 0.650 4.970 4.320 -0.001 0.000 0.252 215 K C -0.653 175.879 176.600 -0.113 0.000 0.934 215 K CA -0.519 55.623 56.287 -0.241 0.000 0.797 215 K CB 2.047 34.510 32.500 -0.062 0.000 1.270 215 K HN 1.025 nan 8.250 nan 0.000 0.431 216 A N 4.843 127.616 122.820 -0.079 0.000 2.401 216 A HA 0.467 4.787 4.320 -0.001 0.000 0.259 216 A C -0.493 177.079 177.584 -0.019 0.000 1.103 216 A CA -0.302 51.710 52.037 -0.042 0.000 0.789 216 A CB 0.111 19.092 19.000 -0.031 0.000 1.035 216 A HN 0.659 nan 8.150 nan 0.000 0.491 217 L N 2.848 124.064 121.223 -0.012 0.000 2.303 217 L HA 0.511 4.851 4.340 -0.001 0.000 0.266 217 L C -1.950 174.920 176.870 -0.000 0.000 1.011 217 L CA -2.336 52.503 54.840 -0.002 0.000 0.818 217 L CB 1.765 43.823 42.059 -0.000 0.000 1.326 217 L HN 0.512 nan 8.230 nan 0.000 0.435 218 P HA -0.009 nan 4.420 nan 0.000 0.269 218 P C -0.716 176.587 177.300 0.005 0.000 1.217 218 P CA 0.270 63.372 63.100 0.004 0.000 0.783 218 P CB 0.389 32.092 31.700 0.004 0.000 0.898 219 D N -0.512 119.892 120.400 0.007 0.000 3.051 219 D HA -0.155 4.484 4.640 -0.001 0.000 0.218 219 D C 0.179 176.486 176.300 0.012 0.000 1.129 219 D CA 1.248 55.254 54.000 0.010 0.000 0.868 219 D CB -1.620 39.186 40.800 0.011 0.000 1.100 219 D HN 0.625 nan 8.370 nan 0.000 0.429 220 D N -0.174 120.231 120.400 0.009 0.000 2.911 220 D HA -0.207 4.433 4.640 -0.001 0.000 0.227 220 D C -0.310 175.998 176.300 0.012 0.000 1.164 220 D CA 1.304 55.310 54.000 0.011 0.000 0.782 220 D CB -0.455 40.354 40.800 0.016 0.000 1.094 220 D HN 0.490 nan 8.370 nan 0.000 0.425 221 K N -0.079 120.326 120.400 0.008 0.000 2.130 221 K HA 0.594 4.913 4.320 -0.001 0.000 0.268 221 K C 0.203 176.801 176.600 -0.003 0.000 0.983 221 K CA -0.644 55.647 56.287 0.006 0.000 0.893 221 K CB 1.393 33.897 32.500 0.006 0.000 1.066 221 K HN 0.089 nan 8.250 nan 0.000 0.450 222 L N 2.121 123.340 121.223 -0.006 0.000 2.346 222 L HA 0.359 4.699 4.340 -0.001 0.000 0.274 222 L C -0.379 176.478 176.870 -0.022 0.000 1.007 222 L CA -0.790 54.038 54.840 -0.021 0.000 0.818 222 L CB 2.001 44.045 42.059 -0.024 0.000 1.284 222 L HN 0.589 nan 8.230 nan 0.000 0.424 223 Q N 2.994 122.775 119.800 -0.033 0.000 2.316 223 Q HA 0.632 4.971 4.340 -0.001 0.000 0.264 223 Q C -1.768 174.213 176.000 -0.033 0.000 0.987 223 Q CA -0.755 55.039 55.803 -0.015 0.000 0.852 223 Q CB 2.253 30.997 28.738 0.011 0.000 1.287 223 Q HN 0.519 nan 8.270 nan 0.000 0.448 224 L N 5.114 126.337 121.223 -0.000 0.000 2.381 224 L HA 0.591 4.931 4.340 -0.001 0.000 0.274 224 L C -1.722 175.198 176.870 0.082 0.000 0.988 224 L CA -0.436 54.408 54.840 0.007 0.000 0.824 224 L CB 1.797 43.856 42.059 -0.001 0.000 1.263 224 L HN 0.769 nan 8.230 nan 0.000 0.410 225 I N 5.544 126.199 120.570 0.142 0.000 2.354 225 I HA 0.411 4.581 4.170 -0.001 0.000 0.292 225 I C -0.717 175.556 176.117 0.260 0.000 0.989 225 I CA -0.865 60.587 61.300 0.253 0.000 1.188 225 I CB 1.871 40.123 38.000 0.419 0.000 1.342 225 I HN 0.278 nan 8.210 nan 0.000 0.457 226 V N 6.266 126.313 119.914 0.222 0.000 2.328 226 V HA 0.527 4.646 4.120 -0.001 0.000 0.278 226 V C 0.346 176.552 176.094 0.186 0.000 1.021 226 V CA -0.494 61.918 62.300 0.186 0.000 0.838 226 V CB 1.259 33.150 31.823 0.113 0.000 0.999 226 V HN 0.809 nan 8.190 nan 0.000 0.447 227 A N 7.219 130.154 122.820 0.193 0.000 2.271 227 A HA 0.822 5.141 4.320 -0.001 0.000 0.317 227 A C -0.616 176.949 177.584 -0.032 0.000 1.245 227 A CA -0.440 51.616 52.037 0.032 0.000 0.857 227 A CB 0.370 19.270 19.000 -0.165 0.000 1.175 227 A HN 0.587 nan 8.150 nan 0.000 0.512 228 I N 2.024 122.573 120.570 -0.034 0.000 2.493 228 I HA 0.468 4.638 4.170 -0.001 0.000 0.298 228 I C 1.007 177.162 176.117 0.064 0.000 0.998 228 I CA -0.665 60.609 61.300 -0.043 0.000 1.137 228 I CB 1.130 39.032 38.000 -0.164 0.000 1.310 228 I HN 0.761 nan 8.210 nan 0.000 0.445 229 A N 5.063 127.906 122.820 0.039 0.000 2.555 229 A HA 0.202 4.521 4.320 -0.001 0.000 0.233 229 A C 0.024 177.697 177.584 0.149 0.000 1.060 229 A CA 0.103 52.176 52.037 0.059 0.000 0.759 229 A CB -0.153 18.857 19.000 0.017 0.000 0.995 229 A HN 0.771 nan 8.150 nan 0.000 0.506 230 D N 2.526 123.022 120.400 0.160 0.000 2.375 230 D HA 0.259 4.898 4.640 -0.001 0.000 0.259 230 D C -2.431 173.998 176.300 0.215 0.000 1.235 230 D CA -1.541 52.583 54.000 0.207 0.000 0.924 230 D CB 1.176 42.152 40.800 0.292 0.000 1.143 230 D HN 0.228 nan 8.370 nan 0.000 0.529 231 P HA -0.157 nan 4.420 nan 0.000 0.220 231 P C 1.364 178.788 177.300 0.206 0.000 1.148 231 P CA 1.136 64.347 63.100 0.186 0.000 0.803 231 P CB -0.118 31.603 31.700 0.036 0.000 0.782 232 T N -2.593 112.034 114.554 0.121 0.000 3.025 232 T HA 0.019 4.369 4.350 -0.001 0.000 0.270 232 T C 1.895 176.649 174.700 0.091 0.000 1.126 232 T CA 1.006 63.164 62.100 0.097 0.000 1.105 232 T CB -0.851 68.062 68.868 0.076 0.000 0.884 232 T HN 0.051 nan 8.240 nan 0.000 0.522 233 A N -0.055 122.823 122.820 0.095 0.000 2.119 233 A HA 0.232 4.552 4.320 -0.001 0.000 0.216 233 A C 1.688 179.169 177.584 -0.172 0.000 1.152 233 A CA 0.310 52.308 52.037 -0.065 0.000 0.708 233 A CB -0.763 18.156 19.000 -0.136 0.000 0.805 233 A HN 0.743 nan 8.150 nan 0.000 0.460 234 W N -0.963 120.340 121.300 0.004 0.000 2.915 234 W HA 0.434 5.094 4.660 -0.001 0.000 0.276 234 W C 0.009 176.530 176.519 0.004 0.000 1.215 234 W CA -0.218 57.128 57.345 0.001 0.000 1.514 234 W CB 0.420 29.879 29.460 -0.003 0.000 1.017 234 W HN -0.057 nan 8.180 nan 0.000 0.598 235 I N 1.249 121.952 120.570 0.221 0.000 2.437 235 I HA 0.413 4.583 4.170 -0.001 0.000 0.279 235 I C 0.173 176.344 176.117 0.092 0.000 1.028 235 I CA -0.958 60.428 61.300 0.143 0.000 1.142 235 I CB 0.701 38.779 38.000 0.129 0.000 1.266 235 I HN -0.239 nan 8.210 nan 0.000 0.461 236 A N 5.130 127.993 122.820 0.071 0.000 2.440 236 A HA 0.196 4.515 4.320 -0.001 0.000 0.251 236 A C 0.389 178.008 177.584 0.058 0.000 1.089 236 A CA -0.236 51.830 52.037 0.049 0.000 0.779 236 A CB 0.302 19.322 19.000 0.033 0.000 1.022 236 A HN 0.784 nan 8.150 nan 0.000 0.492 237 E N 1.127 121.358 120.200 0.051 0.000 2.652 237 E HA 0.228 4.577 4.350 -0.001 0.000 0.255 237 E C 1.296 177.931 176.600 0.058 0.000 0.952 237 E CA 1.221 57.660 56.400 0.065 0.000 0.947 237 E CB -0.033 29.695 29.700 0.046 0.000 0.912 237 E HN 1.483 nan 8.360 nan 0.000 0.489 238 G N 3.147 111.988 108.800 0.070 0.000 2.179 238 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.260 238 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.260 238 G C 0.272 175.194 174.900 0.037 0.000 0.977 238 G CA 0.472 45.599 45.100 0.046 0.000 0.641 238 G HN 0.827 nan 8.290 nan 0.000 0.533 239 S N -0.576 115.152 115.700 0.047 0.000 2.617 239 S HA 0.577 5.046 4.470 -0.001 0.000 0.259 239 S C 1.404 176.021 174.600 0.030 0.000 1.301 239 S CA 0.622 58.846 58.200 0.039 0.000 0.984 239 S CB 1.212 64.443 63.200 0.051 0.000 0.954 239 S HN 0.210 nan 8.310 nan 0.000 0.572 240 K N 0.367 120.780 120.400 0.023 0.000 2.009 240 K HA 0.023 4.342 4.320 -0.001 0.000 0.210 240 K C 1.952 178.558 176.600 0.011 0.000 1.049 240 K CA 1.692 57.986 56.287 0.011 0.000 0.929 240 K CB -0.971 31.535 32.500 0.009 0.000 0.714 240 K HN 0.573 nan 8.250 nan 0.000 0.440 241 L N 0.540 121.778 121.223 0.026 0.000 2.042 241 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 241 L C 2.133 179.028 176.870 0.042 0.000 1.076 241 L CA 1.520 56.378 54.840 0.029 0.000 0.749 241 L CB -0.502 41.584 42.059 0.045 0.000 0.893 241 L HN 0.221 nan 8.230 nan 0.000 0.432 242 D N 0.190 120.631 120.400 0.069 0.000 2.104 242 D HA -0.194 4.446 4.640 -0.001 0.000 0.194 242 D C 2.179 178.489 176.300 0.017 0.000 0.994 242 D CA 1.429 55.503 54.000 0.123 0.000 0.830 242 D CB 0.106 40.991 40.800 0.142 0.000 0.959 242 D HN 0.131 nan 8.370 nan 0.000 0.452 243 K N -0.121 120.267 120.400 -0.020 0.000 2.063 243 K HA -0.092 4.228 4.320 -0.001 0.000 0.208 243 K C 2.186 178.715 176.600 -0.119 0.000 1.048 243 K CA 1.197 57.436 56.287 -0.081 0.000 0.928 243 K CB -0.202 32.273 32.500 -0.043 0.000 0.713 243 K HN 0.138 nan 8.250 nan 0.000 0.442 244 A N 1.420 124.196 122.820 -0.074 0.000 1.902 244 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 244 A C 2.358 179.878 177.584 -0.106 0.000 1.181 244 A CA 1.839 53.831 52.037 -0.074 0.000 0.623 244 A CB -0.655 18.320 19.000 -0.042 0.000 0.818 244 A HN 0.343 nan 8.150 nan 0.000 0.443 245 A N -0.228 122.535 122.820 -0.095 0.000 1.898 245 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 245 A C 2.109 179.502 177.584 -0.317 0.000 1.181 245 A CA 1.937 53.924 52.037 -0.084 0.000 0.620 245 A CB -0.511 18.546 19.000 0.094 0.000 0.819 245 A HN 0.543 nan 8.150 nan 0.000 0.442 246 K N -0.311 119.643 120.400 -0.744 0.000 2.089 246 K HA -0.208 4.112 4.320 -0.001 0.000 0.210 246 K C 1.788 178.113 176.600 -0.459 0.000 1.048 246 K CA 2.024 57.650 56.287 -1.101 0.000 0.926 246 K CB -0.372 31.553 32.500 -0.958 0.000 0.714 246 K HN 0.522 nan 8.250 nan 0.000 0.448 247 I N 0.776 121.184 120.570 -0.271 0.000 2.163 247 I HA -0.217 3.953 4.170 -0.001 0.000 0.240 247 I C 0.611 176.676 176.117 -0.087 0.000 1.081 247 I CA 1.048 62.263 61.300 -0.142 0.000 1.353 247 I CB -0.061 37.883 38.000 -0.093 0.000 1.054 247 I HN 0.076 nan 8.210 nan 0.000 0.407 248 R N 1.120 121.574 120.500 -0.076 0.000 2.248 248 R HA 0.362 4.702 4.340 -0.001 0.000 0.328 248 R C 0.444 176.719 176.300 -0.042 0.000 1.067 248 R CA 0.128 56.215 56.100 -0.021 0.000 0.924 248 R CB 0.622 30.912 30.300 -0.017 0.000 1.013 248 R HN 0.179 nan 8.270 nan 0.000 0.454 249 A N 3.638 126.466 122.820 0.013 0.000 2.308 249 A HA 0.286 4.606 4.320 -0.001 0.000 0.217 249 A C -0.264 176.990 177.584 -0.551 0.000 1.216 249 A CA 0.286 52.203 52.037 -0.201 0.000 0.864 249 A CB 0.218 19.121 19.000 -0.163 0.000 0.902 249 A HN 0.587 nan 8.150 nan 0.000 0.499 250 F N -2.622 117.342 119.950 0.023 0.000 2.693 250 F HA 0.356 4.883 4.527 -0.000 0.000 0.309 250 F C 0.107 175.882 175.800 -0.041 0.000 1.129 250 F CA -0.683 57.328 58.000 0.019 0.000 0.948 250 F CB 1.344 40.360 39.000 0.027 0.000 1.315 250 F HN -0.278 nan 8.300 nan 0.000 0.447 251 T N 1.335 115.960 114.554 0.119 0.000 2.884 251 T HA 0.131 4.481 4.350 -0.001 0.000 0.298 251 T C -0.400 174.150 174.700 -0.250 0.000 0.998 251 T CA -0.174 61.827 62.100 -0.165 0.000 1.124 251 T CB 0.249 68.880 68.868 -0.396 0.000 0.931 251 T HN 0.390 nan 8.240 nan 0.000 0.531 252 N N 2.481 121.018 118.700 -0.271 0.000 2.420 252 N HA 0.196 4.936 4.740 -0.001 0.000 0.249 252 N C -1.597 173.713 175.510 -0.333 0.000 1.033 252 N CA -0.323 52.608 53.050 -0.199 0.000 0.944 252 N CB 0.095 38.532 38.487 -0.082 0.000 1.113 252 N HN 0.467 nan 8.380 nan 0.000 0.502 253 Y N 3.678 123.959 120.300 -0.032 0.000 2.335 253 Y HA 0.438 4.988 4.550 0.000 0.000 0.339 253 Y C 0.095 175.927 175.900 -0.114 0.000 0.987 253 Y CA -0.661 57.406 58.100 -0.056 0.000 1.140 253 Y CB 0.960 39.405 38.460 -0.025 0.000 1.173 253 Y HN 0.213 nan 8.280 nan 0.000 0.486 254 L N 5.236 126.421 121.223 -0.064 0.000 2.354 254 L HA 0.578 4.918 4.340 -0.001 0.000 0.264 254 L C -2.454 174.346 176.870 -0.116 0.000 1.008 254 L CA -2.790 51.949 54.840 -0.168 0.000 0.819 254 L CB 2.022 43.908 42.059 -0.287 0.000 1.339 254 L HN 0.360 nan 8.230 nan 0.000 0.420 255 P HA -0.042 nan 4.420 nan 0.000 0.257 255 P C 0.850 178.251 177.300 0.168 0.000 1.162 255 P CA 1.197 64.252 63.100 -0.076 0.000 0.762 255 P CB 0.467 31.839 31.700 -0.548 0.000 0.753 256 G N 2.314 111.216 108.800 0.170 0.000 2.234 256 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 256 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 256 G C -0.037 175.046 174.900 0.305 0.000 0.987 256 G CA 0.428 45.666 45.100 0.230 0.000 0.625 256 G HN 0.732 nan 8.290 nan 0.000 0.532 257 F N -1.045 118.955 119.950 0.083 0.000 2.900 257 F HA 0.600 5.127 4.527 -0.000 0.000 0.321 257 F C -1.153 174.687 175.800 0.067 0.000 1.160 257 F CA -1.007 57.012 58.000 0.032 0.000 0.890 257 F CB 0.394 39.345 39.000 -0.082 0.000 1.334 257 F HN 0.381 nan 8.300 nan 0.000 0.459 258 N N 0.504 119.354 118.700 0.249 0.000 2.284 258 N HA 0.616 5.356 4.740 -0.001 0.000 0.289 258 N C -2.022 173.551 175.510 0.105 0.000 1.179 258 N CA -0.692 52.374 53.050 0.028 0.000 0.774 258 N CB 3.030 41.447 38.487 -0.117 0.000 1.548 258 N HN 0.607 nan 8.380 nan 0.000 0.473 259 I N 1.598 122.156 120.570 -0.021 0.000 2.307 259 I HA 0.277 4.447 4.170 -0.001 0.000 0.287 259 I C -2.152 173.912 176.117 -0.087 0.000 1.054 259 I CA -2.125 59.186 61.300 0.018 0.000 1.218 259 I CB 1.209 39.248 38.000 0.065 0.000 1.398 259 I HN 0.335 nan 8.210 nan 0.000 0.475 260 P HA 0.052 nan 4.420 nan 0.000 0.271 260 P C 0.774 178.034 177.300 -0.065 0.000 1.216 260 P CA -0.253 62.790 63.100 -0.095 0.000 0.776 260 P CB 0.935 32.600 31.700 -0.057 0.000 0.881 261 M N 2.820 122.384 119.600 -0.060 0.000 2.132 261 M HA -0.061 4.418 4.480 -0.001 0.000 0.263 261 M C 0.207 176.490 176.300 -0.028 0.000 1.065 261 M CA 1.816 57.096 55.300 -0.033 0.000 1.122 261 M CB -0.059 32.530 32.600 -0.018 0.000 1.365 261 M HN 0.248 nan 8.290 nan 0.000 0.411 262 L N -0.207 120.996 121.223 -0.033 0.000 2.331 262 L HA 0.484 4.824 4.340 -0.001 0.000 0.268 262 L C -2.238 174.600 176.870 -0.053 0.000 1.015 262 L CA -2.555 52.263 54.840 -0.036 0.000 0.807 262 L CB 0.612 42.647 42.059 -0.040 0.000 1.293 262 L HN -0.115 nan 8.230 nan 0.000 0.451 263 P HA -0.021 nan 4.420 nan 0.000 0.264 263 P C -0.012 177.234 177.300 -0.090 0.000 1.183 263 P CA 0.110 63.166 63.100 -0.075 0.000 0.763 263 P CB 0.528 32.177 31.700 -0.085 0.000 0.807 264 R N 4.278 124.731 120.500 -0.079 0.000 2.120 264 R HA -0.198 4.141 4.340 -0.001 0.000 0.234 264 R C 1.853 178.095 176.300 -0.096 0.000 1.123 264 R CA 2.023 58.078 56.100 -0.075 0.000 0.975 264 R CB -0.395 29.868 30.300 -0.061 0.000 0.866 264 R HN 0.587 nan 8.270 nan 0.000 0.446 265 E N 0.929 121.059 120.200 -0.117 0.000 2.150 265 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 265 E C 1.944 178.415 176.600 -0.214 0.000 0.985 265 E CA 1.418 57.731 56.400 -0.145 0.000 0.814 265 E CB -0.420 29.194 29.700 -0.144 0.000 0.752 265 E HN 0.628 nan 8.360 nan 0.000 0.466 266 L N 0.226 121.297 121.223 -0.253 0.000 2.162 266 L HA 0.114 4.454 4.340 -0.001 0.000 0.205 266 L C 2.618 179.364 176.870 -0.206 0.000 1.086 266 L CA 1.072 55.709 54.840 -0.338 0.000 0.778 266 L CB -0.660 41.099 42.059 -0.500 0.000 0.928 266 L HN 0.134 nan 8.230 nan 0.000 0.446 267 S N -0.754 114.865 115.700 -0.136 0.000 2.387 267 S HA -0.092 4.377 4.470 -0.001 0.000 0.226 267 S C 1.250 175.815 174.600 -0.058 0.000 1.026 267 S CA 1.016 59.168 58.200 -0.080 0.000 0.972 267 S CB -0.385 62.783 63.200 -0.052 0.000 0.814 267 S HN 0.464 nan 8.310 nan 0.000 0.477 268 D N 0.315 120.677 120.400 -0.064 0.000 2.395 268 D HA 0.346 4.986 4.640 -0.001 0.000 0.213 268 D C 0.539 176.807 176.300 -0.054 0.000 1.110 268 D CA 0.194 54.169 54.000 -0.042 0.000 0.835 268 D CB 0.610 41.392 40.800 -0.030 0.000 0.965 268 D HN 0.421 nan 8.370 nan 0.000 0.505 269 D N -0.917 119.435 120.400 -0.080 0.000 2.757 269 D HA 0.101 4.741 4.640 -0.001 0.000 0.142 269 D C 1.698 177.943 176.300 -0.092 0.000 1.491 269 D CA -0.145 53.806 54.000 -0.081 0.000 1.531 269 D CB -0.020 40.723 40.800 -0.096 0.000 1.709 269 D HN -0.065 nan 8.370 nan 0.000 0.246 270 L N 0.694 121.818 121.223 -0.165 0.000 2.156 270 L HA 0.014 4.354 4.340 -0.001 0.000 0.208 270 L C 2.292 179.109 176.870 -0.088 0.000 1.095 270 L CA 0.861 55.591 54.840 -0.182 0.000 0.770 270 L CB 0.009 41.776 42.059 -0.487 0.000 0.914 270 L HN 0.258 nan 8.230 nan 0.000 0.439 271 C N -2.160 117.071 119.300 -0.115 0.000 2.558 271 C HA 0.089 4.549 4.460 -0.001 0.000 0.288 271 C C 1.718 176.703 174.990 -0.009 0.000 1.338 271 C CA -0.607 58.401 59.018 -0.018 0.000 1.760 271 C CB 0.002 27.717 27.740 -0.041 0.000 2.159 271 C HN 0.351 nan 8.230 nan 0.000 0.518 272 S N 1.148 116.829 115.700 -0.033 0.000 2.563 272 S HA 0.137 4.606 4.470 -0.001 0.000 0.294 272 S C 0.030 174.621 174.600 -0.016 0.000 1.279 272 S CA 0.035 58.221 58.200 -0.023 0.000 1.069 272 S CB 0.005 63.188 63.200 -0.028 0.000 0.828 272 S HN 0.436 nan 8.310 nan 0.000 0.497 273 L N 6.716 127.929 121.223 -0.018 0.000 2.437 273 L HA 0.213 4.552 4.340 -0.001 0.000 0.243 273 L C 1.053 177.913 176.870 -0.017 0.000 1.346 273 L CA -0.387 54.441 54.840 -0.020 0.000 1.233 273 L CB -0.516 41.526 42.059 -0.028 0.000 1.436 273 L HN 0.473 nan 8.230 nan 0.000 0.416 274 R N 1.357 121.848 120.500 -0.014 0.000 2.698 274 R HA 0.239 4.578 4.340 -0.001 0.000 0.266 274 R C 0.541 176.838 176.300 -0.004 0.000 1.026 274 R CA -0.123 55.970 56.100 -0.012 0.000 1.102 274 R CB 0.461 30.754 30.300 -0.011 0.000 0.978 274 R HN 0.442 nan 8.270 nan 0.000 0.436 275 A N 2.506 125.325 122.820 -0.002 0.000 2.561 275 A HA -0.046 4.273 4.320 -0.001 0.000 0.234 275 A C 0.306 177.896 177.584 0.011 0.000 1.055 275 A CA 0.280 52.322 52.037 0.009 0.000 0.756 275 A CB -0.429 18.577 19.000 0.009 0.000 0.986 275 A HN 0.906 nan 8.150 nan 0.000 0.505 276 N N -0.278 118.433 118.700 0.018 0.000 2.714 276 N HA -0.181 4.559 4.740 -0.001 0.000 0.252 276 N C -0.706 174.810 175.510 0.010 0.000 1.014 276 N CA 1.422 54.481 53.050 0.015 0.000 0.735 276 N CB -0.846 37.650 38.487 0.015 0.000 0.924 276 N HN 0.804 nan 8.380 nan 0.000 0.540 277 E N -0.697 119.507 120.200 0.006 0.000 2.331 277 E HA 0.502 4.852 4.350 -0.001 0.000 0.275 277 E C -1.130 175.471 176.600 0.001 0.000 0.895 277 E CA -0.758 55.645 56.400 0.006 0.000 0.753 277 E CB 1.910 31.613 29.700 0.005 0.000 1.216 277 E HN 0.042 nan 8.360 nan 0.000 0.434 278 V N 4.786 124.703 119.914 0.005 0.000 2.432 278 V HA 0.487 4.607 4.120 -0.001 0.000 0.271 278 V C -0.180 175.917 176.094 0.005 0.000 1.046 278 V CA -0.201 62.096 62.300 -0.004 0.000 0.945 278 V CB 0.737 32.560 31.823 -0.000 0.000 0.992 278 V HN 0.474 nan 8.190 nan 0.000 0.471 279 R N 5.692 126.181 120.500 -0.017 0.000 2.673 279 R HA 0.498 4.837 4.340 -0.001 0.000 0.281 279 R C -2.918 173.369 176.300 -0.022 0.000 0.991 279 R CA -2.227 53.875 56.100 0.003 0.000 0.896 279 R CB 2.563 32.861 30.300 -0.003 0.000 1.201 279 R HN 0.353 nan 8.270 nan 0.000 0.457 280 P HA 0.186 nan 4.420 nan 0.000 0.275 280 P C -0.380 176.912 177.300 -0.013 0.000 1.227 280 P CA -0.256 62.837 63.100 -0.010 0.000 0.781 280 P CB 1.120 32.825 31.700 0.009 0.000 0.906 281 V N 0.600 120.480 119.914 -0.058 0.000 3.159 281 V HA 0.632 4.751 4.120 -0.001 0.000 0.308 281 V C -1.110 174.945 176.094 -0.064 0.000 1.190 281 V CA -1.315 60.952 62.300 -0.054 0.000 1.037 281 V CB 2.015 33.750 31.823 -0.147 0.000 1.060 281 V HN 0.352 nan 8.190 nan 0.000 0.437 282 L N 2.655 123.879 121.223 0.001 0.000 2.298 282 L HA 0.961 5.301 4.340 -0.001 0.000 0.284 282 L C 0.126 177.012 176.870 0.028 0.000 1.013 282 L CA -0.067 54.754 54.840 -0.032 0.000 0.824 282 L CB 0.592 42.626 42.059 -0.042 0.000 1.221 282 L HN 1.262 nan 8.230 nan 0.000 0.418 283 A N 4.268 126.909 122.820 -0.298 0.000 2.337 283 A HA 0.766 5.085 4.320 -0.001 0.000 0.331 283 A C -1.053 176.343 177.584 -0.314 0.000 1.137 283 A CA -0.529 51.292 52.037 -0.361 0.000 0.807 283 A CB 1.439 19.915 19.000 -0.873 0.000 1.250 283 A HN 0.852 nan 8.150 nan 0.000 0.468 284 C N 1.766 121.017 119.300 -0.082 0.000 2.364 284 C HA 0.759 5.219 4.460 -0.001 0.000 0.324 284 C C -0.111 174.882 174.990 0.004 0.000 1.234 284 C CA -0.588 58.251 59.018 -0.300 0.000 1.417 284 C CB 0.210 27.676 27.740 -0.457 0.000 2.101 284 C HN 0.956 nan 8.230 nan 0.000 0.466 285 R N 6.683 127.234 120.500 0.086 0.000 2.295 285 R HA 0.763 5.102 4.340 -0.001 0.000 0.324 285 R C -0.351 175.953 176.300 0.006 0.000 0.968 285 R CA -0.327 55.853 56.100 0.133 0.000 0.837 285 R CB 0.887 31.299 30.300 0.187 0.000 1.133 285 R HN 0.937 nan 8.270 nan 0.000 0.450 286 M N 1.198 120.804 119.600 0.010 0.000 2.619 286 M HA 0.530 5.009 4.480 -0.001 0.000 0.297 286 M C -1.378 174.917 176.300 -0.009 0.000 1.229 286 M CA -0.732 54.556 55.300 -0.019 0.000 0.860 286 M CB 2.595 35.174 32.600 -0.034 0.000 1.741 286 M HN 0.321 nan 8.290 nan 0.000 0.462 287 T N 3.087 117.629 114.554 -0.019 0.000 2.807 287 T HA 0.660 5.010 4.350 -0.001 0.000 0.279 287 T C -0.878 173.807 174.700 -0.025 0.000 0.993 287 T CA -0.606 61.485 62.100 -0.016 0.000 0.970 287 T CB 1.286 70.147 68.868 -0.010 0.000 0.950 287 T HN 0.419 nan 8.240 nan 0.000 0.441 288 L N 2.845 124.056 121.223 -0.020 0.000 2.296 288 L HA 0.515 4.855 4.340 -0.001 0.000 0.286 288 L C 0.839 177.711 176.870 0.003 0.000 1.023 288 L CA -0.336 54.492 54.840 -0.020 0.000 0.812 288 L CB 1.247 43.296 42.059 -0.016 0.000 1.223 288 L HN 0.659 nan 8.230 nan 0.000 0.421 289 S N 1.476 117.187 115.700 0.017 0.000 2.617 289 S HA 0.295 4.765 4.470 -0.001 0.000 0.255 289 S C 1.425 176.058 174.600 0.055 0.000 1.318 289 S CA 0.121 58.345 58.200 0.040 0.000 0.978 289 S CB 0.650 63.886 63.200 0.060 0.000 0.961 289 S HN 0.750 nan 8.310 nan 0.000 0.582 290 A N 1.131 123.986 122.820 0.059 0.000 1.972 290 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 290 A C 1.568 179.206 177.584 0.090 0.000 1.169 290 A CA 1.790 53.864 52.037 0.061 0.000 0.635 290 A CB -0.662 18.368 19.000 0.050 0.000 0.810 290 A HN 0.851 nan 8.150 nan 0.000 0.446 291 D N -2.541 117.933 120.400 0.124 0.000 2.339 291 D HA 0.275 4.914 4.640 -0.001 0.000 0.217 291 D C 1.143 177.610 176.300 0.279 0.000 1.050 291 D CA 0.956 55.066 54.000 0.184 0.000 0.856 291 D CB -0.407 40.513 40.800 0.200 0.000 0.922 291 D HN 0.765 nan 8.370 nan 0.000 0.518 292 G N 0.332 109.255 108.800 0.205 0.000 2.175 292 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.244 292 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.244 292 G C 0.483 175.407 174.900 0.040 0.000 0.982 292 G CA 0.402 45.606 45.100 0.174 0.000 0.641 292 G HN 0.819 nan 8.290 nan 0.000 0.527 293 T N -0.324 114.293 114.554 0.105 0.000 2.930 293 T HA 0.531 4.881 4.350 -0.001 0.000 0.306 293 T C 0.757 175.340 174.700 -0.196 0.000 1.045 293 T CA -0.280 61.714 62.100 -0.176 0.000 1.134 293 T CB 0.843 69.774 68.868 0.104 0.000 0.961 293 T HN 0.576 nan 8.240 nan 0.000 0.545 294 I N 3.137 123.518 120.570 -0.316 0.000 2.406 294 I HA 0.165 4.335 4.170 -0.001 0.000 0.293 294 I C 1.148 177.204 176.117 -0.102 0.000 1.101 294 I CA -0.323 60.866 61.300 -0.185 0.000 1.334 294 I CB 0.085 37.962 38.000 -0.204 0.000 1.421 294 I HN 0.771 nan 8.210 nan 0.000 0.513 295 E N 4.193 124.359 120.200 -0.057 0.000 2.428 295 E HA -0.073 4.277 4.350 -0.001 0.000 0.257 295 E C 0.608 177.196 176.600 -0.021 0.000 1.197 295 E CA -0.114 56.270 56.400 -0.026 0.000 0.974 295 E CB 0.679 30.371 29.700 -0.013 0.000 0.976 295 E HN 0.484 nan 8.360 nan 0.000 0.463 296 D N 0.768 121.164 120.400 -0.007 0.000 2.178 296 D HA -0.141 4.498 4.640 -0.001 0.000 0.202 296 D C 0.513 176.813 176.300 -0.001 0.000 0.974 296 D CA 0.991 54.990 54.000 -0.001 0.000 0.841 296 D CB -0.427 40.376 40.800 0.005 0.000 0.953 296 D HN 0.494 nan 8.370 nan 0.000 0.478 297 N N 0.837 119.533 118.700 -0.006 0.000 2.906 297 N HA 0.036 4.776 4.740 -0.001 0.000 0.282 297 N C -0.074 175.428 175.510 -0.013 0.000 1.293 297 N CA -0.123 52.923 53.050 -0.008 0.000 1.059 297 N CB -0.415 38.065 38.487 -0.012 0.000 1.388 297 N HN 0.097 nan 8.380 nan 0.000 0.533 298 I N 0.556 121.121 120.570 -0.008 0.000 2.598 298 I HA -0.038 4.132 4.170 -0.001 0.000 0.284 298 I C 0.517 176.628 176.117 -0.011 0.000 1.140 298 I CA 0.380 61.664 61.300 -0.026 0.000 1.420 298 I CB 0.450 38.447 38.000 -0.005 0.000 1.387 298 I HN 0.463 nan 8.210 nan 0.000 0.553 299 E N 6.800 126.976 120.200 -0.039 0.000 2.191 299 E HA 0.375 4.724 4.350 -0.001 0.000 0.263 299 E C -1.474 175.158 176.600 0.053 0.000 0.881 299 E CA -0.715 55.704 56.400 0.032 0.000 0.757 299 E CB 1.157 30.854 29.700 -0.005 0.000 1.147 299 E HN 0.326 nan 8.360 nan 0.000 0.414 300 F N 5.499 125.503 119.950 0.090 0.000 2.411 300 F HA 0.399 4.926 4.527 -0.001 0.000 0.350 300 F C -0.186 175.719 175.800 0.175 0.000 1.114 300 F CA -0.356 57.660 58.000 0.027 0.000 1.135 300 F CB 0.602 39.483 39.000 -0.198 0.000 1.120 300 F HN 0.339 nan 8.300 nan 0.000 0.495 301 F N 1.273 121.262 119.950 0.064 0.000 2.654 301 F HA 0.851 5.377 4.527 -0.001 0.000 0.308 301 F C -0.984 174.833 175.800 0.028 0.000 1.108 301 F CA -1.687 56.332 58.000 0.032 0.000 0.957 301 F CB 0.640 39.647 39.000 0.011 0.000 1.309 301 F HN 0.485 nan 8.300 nan 0.000 0.446 302 A N 1.699 124.531 122.820 0.019 0.000 2.388 302 A HA 0.882 5.202 4.320 -0.001 0.000 0.257 302 A C -0.233 177.326 177.584 -0.042 0.000 1.095 302 A CA 0.332 52.327 52.037 -0.070 0.000 0.791 302 A CB 0.212 19.204 19.000 -0.013 0.000 1.029 302 A HN 1.906 nan 8.150 nan 0.000 0.489 303 A N 0.898 123.645 122.820 -0.121 0.000 2.568 303 A HA 0.854 5.174 4.320 -0.001 0.000 0.291 303 A C -0.459 177.074 177.584 -0.086 0.000 1.159 303 A CA -0.429 51.574 52.037 -0.056 0.000 0.679 303 A CB 0.913 19.858 19.000 -0.092 0.000 1.285 303 A HN 0.945 nan 8.150 nan 0.000 0.428 304 T N 1.120 115.629 114.554 -0.075 0.000 2.879 304 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 304 T C -0.366 174.247 174.700 -0.145 0.000 0.993 304 T CA -0.020 62.024 62.100 -0.093 0.000 0.975 304 T CB 0.633 69.471 68.868 -0.050 0.000 0.981 304 T HN 1.006 nan 8.240 nan 0.000 0.439 305 I N -0.303 120.142 120.570 -0.208 0.000 3.067 305 I HA 0.834 5.003 4.170 -0.001 0.000 0.312 305 I C -0.785 175.242 176.117 -0.150 0.000 1.073 305 I CA -1.036 60.093 61.300 -0.284 0.000 1.016 305 I CB 2.532 40.138 38.000 -0.658 0.000 1.227 305 I HN 0.504 nan 8.210 nan 0.000 0.456 306 E N 2.275 122.418 120.200 -0.094 0.000 2.316 306 E HA 0.238 4.588 4.350 -0.001 0.000 0.254 306 E C -1.298 175.318 176.600 0.027 0.000 0.902 306 E CA -0.473 55.911 56.400 -0.026 0.000 0.801 306 E CB 1.730 31.429 29.700 -0.001 0.000 1.270 306 E HN 0.736 nan 8.360 nan 0.000 0.414 307 S N 3.497 119.214 115.700 0.028 0.000 2.537 307 S HA 0.064 4.534 4.470 -0.001 0.000 0.286 307 S C 0.785 175.432 174.600 0.079 0.000 1.299 307 S CA -0.062 58.190 58.200 0.087 0.000 1.067 307 S CB 0.453 63.688 63.200 0.058 0.000 0.864 307 S HN 0.459 nan 8.310 nan 0.000 0.494 308 K N 2.505 122.969 120.400 0.106 0.000 2.387 308 K HA 0.360 4.680 4.320 -0.001 0.000 0.198 308 K C -0.092 176.545 176.600 0.062 0.000 1.022 308 K CA 0.199 56.532 56.287 0.078 0.000 1.128 308 K CB 0.454 33.007 32.500 0.087 0.000 0.853 308 K HN 0.607 nan 8.250 nan 0.000 0.523 309 A N 1.312 124.167 122.820 0.059 0.000 2.518 309 A HA 0.233 4.552 4.320 -0.001 0.000 0.295 309 A C -1.179 176.413 177.584 0.013 0.000 1.052 309 A CA -0.777 51.287 52.037 0.044 0.000 0.824 309 A CB 0.844 19.879 19.000 0.059 0.000 1.325 309 A HN 0.073 nan 8.150 nan 0.000 0.394 310 K N 4.088 124.483 120.400 -0.009 0.000 2.150 310 K HA 0.475 4.794 4.320 -0.001 0.000 0.261 310 K C -0.655 175.882 176.600 -0.105 0.000 1.127 310 K CA -0.246 56.008 56.287 -0.055 0.000 0.989 310 K CB -0.270 32.200 32.500 -0.050 0.000 1.475 310 K HN 0.693 nan 8.250 nan 0.000 0.391 311 L N 3.792 124.929 121.223 -0.142 0.000 2.417 311 L HA 0.245 4.584 4.340 -0.001 0.000 0.268 311 L C 0.302 176.962 176.870 -0.350 0.000 1.158 311 L CA -0.808 53.876 54.840 -0.261 0.000 0.819 311 L CB 1.112 43.040 42.059 -0.218 0.000 1.112 311 L HN 0.315 nan 8.230 nan 0.000 0.458 312 V N 0.178 119.821 119.914 -0.452 0.000 2.547 312 V HA 0.229 4.348 4.120 -0.001 0.000 0.299 312 V C 0.647 176.555 176.094 -0.310 0.000 1.040 312 V CA -0.410 61.669 62.300 -0.369 0.000 0.913 312 V CB 1.280 32.937 31.823 -0.276 0.000 0.992 312 V HN 0.677 nan 8.190 nan 0.000 0.449 313 Y N 1.667 121.871 120.300 -0.161 0.000 1.993 313 Y HA -0.235 4.315 4.550 0.000 0.000 0.267 313 Y C 2.423 178.260 175.900 -0.104 0.000 1.155 313 Y CA 2.568 60.601 58.100 -0.111 0.000 1.105 313 Y CB -0.228 38.186 38.460 -0.078 0.000 0.960 313 Y HN 0.693 nan 8.280 nan 0.000 0.486 314 D N -0.183 120.276 120.400 0.099 0.000 2.149 314 D HA -0.218 4.422 4.640 -0.001 0.000 0.194 314 D C 2.033 178.339 176.300 0.011 0.000 1.001 314 D CA 1.641 55.664 54.000 0.039 0.000 0.849 314 D CB -0.478 40.335 40.800 0.021 0.000 0.939 314 D HN 0.524 nan 8.370 nan 0.000 0.449 315 Q N 0.047 119.774 119.800 -0.120 0.000 2.020 315 Q HA -0.099 4.241 4.340 -0.001 0.000 0.202 315 Q C 2.484 178.476 176.000 -0.013 0.000 0.982 315 Q CA 0.981 56.678 55.803 -0.178 0.000 0.838 315 Q CB -0.064 28.210 28.738 -0.774 0.000 0.899 315 Q HN 0.156 nan 8.270 nan 0.000 0.423 316 V N 0.814 120.626 119.914 -0.170 0.000 2.324 316 V HA -0.302 3.817 4.120 -0.001 0.000 0.250 316 V C 2.193 178.464 176.094 0.295 0.000 1.060 316 V CA 2.112 64.499 62.300 0.146 0.000 1.042 316 V CB -0.681 31.177 31.823 0.057 0.000 0.650 316 V HN 0.314 nan 8.190 nan 0.000 0.450 317 S N -0.239 115.569 115.700 0.180 0.000 2.355 317 S HA -0.207 4.263 4.470 -0.001 0.000 0.222 317 S C 1.756 176.459 174.600 0.172 0.000 1.031 317 S CA 1.457 59.751 58.200 0.157 0.000 0.993 317 S CB -0.481 62.777 63.200 0.096 0.000 0.859 317 S HN 0.589 nan 8.310 nan 0.000 0.453 318 D N 0.378 120.891 120.400 0.189 0.000 2.116 318 D HA -0.148 4.492 4.640 -0.001 0.000 0.193 318 D C 1.405 177.863 176.300 0.262 0.000 0.998 318 D CA 1.017 55.136 54.000 0.200 0.000 0.836 318 D CB -0.335 40.596 40.800 0.219 0.000 0.951 318 D HN 0.564 nan 8.370 nan 0.000 0.449 319 W N 1.173 122.595 121.300 0.204 0.000 2.379 319 W HA -0.057 4.604 4.660 0.001 0.000 0.307 319 W C 2.048 178.639 176.519 0.120 0.000 1.200 319 W CA 0.937 58.401 57.345 0.198 0.000 1.297 319 W CB -0.498 29.170 29.460 0.345 0.000 1.140 319 W HN -0.083 nan 8.180 nan 0.000 0.507 320 L N 0.484 121.780 121.223 0.122 0.000 2.265 320 L HA -0.165 4.175 4.340 -0.001 0.000 0.215 320 L C 1.852 178.633 176.870 -0.148 0.000 1.117 320 L CA 1.464 56.226 54.840 -0.129 0.000 0.782 320 L CB -0.552 41.548 42.059 0.068 0.000 0.914 320 L HN 0.033 nan 8.230 nan 0.000 0.441 321 E N -0.078 120.087 120.200 -0.059 0.000 2.474 321 E HA -0.017 4.333 4.350 -0.001 0.000 0.195 321 E C -0.109 176.445 176.600 -0.075 0.000 1.039 321 E CA 0.087 56.456 56.400 -0.051 0.000 0.881 321 E CB 0.041 29.742 29.700 0.002 0.000 0.970 321 E HN 0.610 nan 8.360 nan 0.000 0.486 322 N N 0.707 119.332 118.700 -0.125 0.000 2.620 322 N HA -0.206 4.534 4.740 -0.001 0.000 0.293 322 N C -1.031 174.477 175.510 -0.003 0.000 1.178 322 N CA 0.904 53.896 53.050 -0.097 0.000 0.750 322 N CB -1.340 37.043 38.487 -0.173 0.000 0.949 322 N HN -0.104 nan 8.380 nan 0.000 0.555 323 T N -0.453 114.137 114.554 0.062 0.000 2.804 323 T HA 0.928 5.278 4.350 -0.001 0.000 0.290 323 T C 0.684 175.463 174.700 0.131 0.000 1.099 323 T CA -0.256 61.890 62.100 0.076 0.000 1.011 323 T CB 1.692 70.598 68.868 0.064 0.000 1.291 323 T HN 1.477 nan 8.240 nan 0.000 0.523 324 G N 0.585 109.455 108.800 0.116 0.000 2.795 324 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.664 324 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.664 324 G C -0.187 174.805 174.900 0.154 0.000 1.381 324 G CA 0.034 45.220 45.100 0.144 0.000 0.853 324 G HN 0.693 nan 8.290 nan 0.000 0.545 325 D N -0.985 119.511 120.400 0.161 0.000 2.234 325 D HA 0.062 4.702 4.640 -0.001 0.000 0.205 325 D C 0.983 177.385 176.300 0.171 0.000 0.962 325 D CA 0.990 55.074 54.000 0.141 0.000 0.855 325 D CB 0.058 40.933 40.800 0.126 0.000 0.951 325 D HN 0.457 nan 8.370 nan 0.000 0.500 326 W N 1.913 123.256 121.300 0.071 0.000 2.272 326 W HA 0.331 4.990 4.660 -0.002 0.000 0.318 326 W C -0.089 176.469 176.519 0.064 0.000 1.255 326 W CA -0.300 57.074 57.345 0.047 0.000 1.200 326 W CB 0.626 30.103 29.460 0.029 0.000 1.170 326 W HN -0.305 nan 8.180 nan 0.000 0.549 327 Q N 6.561 125.581 119.800 -1.302 0.000 2.345 327 Q HA 0.370 4.710 4.340 -0.001 0.000 0.275 327 Q C -2.455 172.308 176.000 -2.061 0.000 1.063 327 Q CA -2.410 52.602 55.803 -1.319 0.000 0.819 327 Q CB 2.484 30.895 28.738 -0.545 0.000 1.356 327 Q HN 0.134 nan 8.270 nan 0.000 0.418 328 P HA -0.018 nan 4.420 nan 0.000 0.263 328 P C -1.235 175.689 177.300 -0.626 0.000 1.195 328 P CA 0.233 62.679 63.100 -1.089 0.000 0.762 328 P CB 0.292 31.463 31.700 -0.881 0.000 0.799 329 E N 1.438 121.406 120.200 -0.387 0.000 2.325 329 E HA 0.424 4.773 4.350 -0.001 0.000 0.295 329 E C -0.289 176.226 176.600 -0.141 0.000 1.461 329 E CA -0.661 55.595 56.400 -0.239 0.000 1.698 329 E CB -0.287 29.316 29.700 -0.163 0.000 1.496 329 E HN 0.218 nan 8.360 nan 0.000 0.474 330 S N 0.288 115.898 115.700 -0.150 0.000 2.799 330 S HA 0.018 4.488 4.470 -0.001 0.000 0.303 330 S C 0.175 174.721 174.600 -0.091 0.000 0.835 330 S CA -0.513 57.635 58.200 -0.088 0.000 0.783 330 S CB 0.519 63.688 63.200 -0.052 0.000 0.985 330 S HN 0.219 nan 8.310 nan 0.000 0.507 331 E N 4.111 124.280 120.200 -0.052 0.000 2.077 331 E HA 0.041 4.391 4.350 -0.001 0.000 0.193 331 E C 2.039 178.627 176.600 -0.020 0.000 0.989 331 E CA 2.576 58.958 56.400 -0.029 0.000 0.800 331 E CB -0.542 29.155 29.700 -0.006 0.000 0.746 331 E HN 0.896 nan 8.360 nan 0.000 0.452 332 A N 0.866 123.680 122.820 -0.011 0.000 1.892 332 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 332 A C 2.329 179.911 177.584 -0.003 0.000 1.188 332 A CA 2.224 54.266 52.037 0.007 0.000 0.631 332 A CB -1.002 18.014 19.000 0.026 0.000 0.822 332 A HN 0.554 nan 8.150 nan 0.000 0.447 333 I N -2.864 117.691 120.570 -0.024 0.000 3.059 333 I HA 0.242 4.411 4.170 -0.001 0.000 0.270 333 I C 2.136 178.201 176.117 -0.087 0.000 1.238 333 I CA 1.249 62.530 61.300 -0.032 0.000 1.478 333 I CB -0.359 37.637 38.000 -0.008 0.000 1.097 333 I HN 0.143 nan 8.210 nan 0.000 0.455 334 A N 0.844 123.584 122.820 -0.133 0.000 1.930 334 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 334 A C 2.263 179.875 177.584 0.046 0.000 1.175 334 A CA 1.775 53.717 52.037 -0.159 0.000 0.627 334 A CB -0.691 18.238 19.000 -0.118 0.000 0.815 334 A HN 0.488 nan 8.150 nan 0.000 0.443 335 E N -0.264 119.955 120.200 0.031 0.000 2.150 335 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 335 E C 2.155 178.753 176.600 -0.003 0.000 0.985 335 E CA 1.045 57.466 56.400 0.035 0.000 0.814 335 E CB -0.218 29.488 29.700 0.010 0.000 0.752 335 E HN 0.498 nan 8.360 nan 0.000 0.466 336 Q N -0.077 119.703 119.800 -0.032 0.000 2.020 336 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 336 Q C 2.340 178.331 176.000 -0.015 0.000 0.982 336 Q CA 1.477 57.235 55.803 -0.074 0.000 0.838 336 Q CB -0.755 27.946 28.738 -0.062 0.000 0.899 336 Q HN 0.263 nan 8.270 nan 0.000 0.423 337 V N 2.225 122.166 119.914 0.046 0.000 2.282 337 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 337 V C 2.440 178.641 176.094 0.179 0.000 1.057 337 V CA 2.477 64.858 62.300 0.134 0.000 1.032 337 V CB -0.720 31.227 31.823 0.207 0.000 0.645 337 V HN 0.481 nan 8.190 nan 0.000 0.447 338 R N 0.051 120.678 120.500 0.212 0.000 2.148 338 R HA -0.026 4.314 4.340 -0.001 0.000 0.223 338 R C 2.177 178.516 176.300 0.064 0.000 1.088 338 R CA 1.269 57.465 56.100 0.158 0.000 0.985 338 R CB -0.575 29.822 30.300 0.163 0.000 0.880 338 R HN 0.389 nan 8.270 nan 0.000 0.451 339 L N 1.084 122.320 121.223 0.022 0.000 2.056 339 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 339 L C 2.493 179.349 176.870 -0.023 0.000 1.078 339 L CA 1.143 55.966 54.840 -0.028 0.000 0.749 339 L CB -0.327 41.674 42.059 -0.097 0.000 0.901 339 L HN 0.156 nan 8.230 nan 0.000 0.433 340 L N -0.617 120.597 121.223 -0.015 0.000 2.083 340 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 340 L C 2.814 179.704 176.870 0.034 0.000 1.083 340 L CA 1.143 55.984 54.840 0.001 0.000 0.752 340 L CB -0.709 41.357 42.059 0.011 0.000 0.899 340 L HN 0.251 nan 8.230 nan 0.000 0.433 341 A N -0.610 122.245 122.820 0.057 0.000 1.933 341 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 341 A C 2.229 179.837 177.584 0.039 0.000 1.175 341 A CA 1.497 53.569 52.037 0.060 0.000 0.628 341 A CB -0.403 18.641 19.000 0.074 0.000 0.814 341 A HN 0.475 nan 8.150 nan 0.000 0.444 342 Q N -0.622 119.194 119.800 0.028 0.000 2.119 342 Q HA -0.084 4.255 4.340 -0.001 0.000 0.201 342 Q C 2.008 178.024 176.000 0.025 0.000 0.972 342 Q CA 1.413 57.228 55.803 0.021 0.000 0.847 342 Q CB -0.283 28.461 28.738 0.010 0.000 0.903 342 Q HN 0.742 nan 8.270 nan 0.000 0.433 343 I N 0.018 120.599 120.570 0.018 0.000 2.226 343 I HA -0.354 3.816 4.170 -0.001 0.000 0.245 343 I C 2.709 178.850 176.117 0.041 0.000 1.100 343 I CA 0.677 61.990 61.300 0.021 0.000 1.374 343 I CB -0.382 37.620 38.000 0.003 0.000 1.057 343 I HN 0.414 nan 8.210 nan 0.000 0.413 344 C N 0.858 120.184 119.300 0.044 0.000 2.386 344 C HA -0.278 4.181 4.460 -0.001 0.000 0.279 344 C C 2.990 178.018 174.990 0.063 0.000 1.208 344 C CA 2.019 61.070 59.018 0.056 0.000 1.747 344 C CB -0.967 26.805 27.740 0.054 0.000 2.046 344 C HN 0.585 nan 8.230 nan 0.000 0.453 345 Q N 0.754 120.586 119.800 0.052 0.000 2.065 345 Q HA -0.258 4.082 4.340 -0.001 0.000 0.213 345 Q C 2.393 178.436 176.000 0.072 0.000 1.012 345 Q CA 2.553 58.386 55.803 0.050 0.000 0.876 345 Q CB -0.480 28.279 28.738 0.035 0.000 0.954 345 Q HN 0.684 nan 8.270 nan 0.000 0.413 346 R N -0.575 119.971 120.500 0.077 0.000 2.091 346 R HA -0.078 4.261 4.340 -0.001 0.000 0.238 346 R C 2.295 178.696 176.300 0.168 0.000 1.136 346 R CA 1.507 57.673 56.100 0.109 0.000 0.959 346 R CB -0.366 29.986 30.300 0.088 0.000 0.856 346 R HN 0.284 nan 8.270 nan 0.000 0.437 347 R N -0.156 120.431 120.500 0.145 0.000 2.093 347 R HA 0.007 4.347 4.340 -0.001 0.000 0.224 347 R C 2.351 178.794 176.300 0.238 0.000 1.101 347 R CA 1.171 57.384 56.100 0.188 0.000 0.979 347 R CB -0.945 29.418 30.300 0.105 0.000 0.877 347 R HN 0.347 nan 8.270 nan 0.000 0.441 348 G N 1.208 110.108 108.800 0.167 0.000 2.440 348 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 348 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 348 G C 1.351 176.362 174.900 0.184 0.000 1.154 348 G CA 0.650 45.843 45.100 0.154 0.000 0.767 348 G HN 0.350 nan 8.290 nan 0.000 0.552 349 E N -0.774 119.526 120.200 0.168 0.000 2.038 349 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 349 E C 2.037 178.784 176.600 0.245 0.000 1.000 349 E CA 1.086 57.587 56.400 0.169 0.000 0.803 349 E CB -0.271 29.510 29.700 0.135 0.000 0.750 349 E HN 0.635 nan 8.360 nan 0.000 0.448 350 W N 1.482 122.874 121.300 0.153 0.000 2.335 350 W HA -0.195 4.465 4.660 -0.001 0.000 0.311 350 W C 2.208 178.876 176.519 0.248 0.000 1.213 350 W CA 1.665 59.146 57.345 0.227 0.000 1.274 350 W CB 0.029 29.580 29.460 0.151 0.000 1.148 350 W HN -0.108 nan 8.180 nan 0.000 0.498 351 R N -1.237 119.596 120.500 0.556 0.000 2.115 351 R HA -0.201 4.138 4.340 -0.001 0.000 0.230 351 R C 2.427 178.802 176.300 0.125 0.000 1.111 351 R CA 1.504 57.842 56.100 0.396 0.000 0.976 351 R CB -0.998 29.522 30.300 0.366 0.000 0.870 351 R HN 0.384 nan 8.270 nan 0.000 0.445 352 H N 0.749 119.837 119.070 0.029 0.000 2.389 352 H HA -0.005 4.551 4.556 -0.000 0.000 0.299 352 H C 0.882 176.113 175.328 -0.161 0.000 1.081 352 H CA 1.213 57.236 56.048 -0.042 0.000 1.345 352 H CB 0.377 30.125 29.762 -0.024 0.000 1.393 352 H HN 0.151 nan 8.280 nan 0.000 0.520 353 N N -0.145 118.385 118.700 -0.283 0.000 2.415 353 N HA -0.040 4.700 4.740 -0.001 0.000 0.176 353 N C 0.569 175.508 175.510 -0.953 0.000 1.042 353 N CA 0.693 53.394 53.050 -0.583 0.000 0.902 353 N CB 0.009 38.184 38.487 -0.521 0.000 0.986 353 N HN 0.592 nan 8.380 nan 0.000 0.447 354 H N -1.505 117.196 119.070 -0.615 0.000 3.233 354 H HA 0.596 5.152 4.556 0.000 0.000 0.263 354 H C 0.419 175.513 175.328 -0.389 0.000 1.168 354 H CA 0.167 55.818 56.048 -0.661 0.000 1.159 354 H CB 1.114 30.095 29.762 -1.302 0.000 1.593 354 H HN 0.150 nan 8.280 nan 0.000 0.580 355 A N 0.099 122.819 122.820 -0.167 0.000 4.504 355 A HA 0.713 5.033 4.320 -0.001 0.000 0.202 355 A C -1.659 175.929 177.584 0.007 0.000 0.770 355 A CA -0.587 51.456 52.037 0.010 0.000 0.714 355 A CB 0.789 19.900 19.000 0.184 0.000 1.741 355 A HN 0.074 nan 8.150 nan 0.000 0.888 356 L N 0.507 121.784 121.223 0.090 0.000 2.386 356 L HA 0.597 4.937 4.340 -0.001 0.000 0.271 356 L C -1.434 175.519 176.870 0.138 0.000 0.993 356 L CA -0.937 53.962 54.840 0.098 0.000 0.819 356 L CB 2.200 44.356 42.059 0.161 0.000 1.294 356 L HN 0.374 nan 8.230 nan 0.000 0.414 357 V N 3.121 123.112 119.914 0.129 0.000 2.334 357 V HA 0.271 4.391 4.120 -0.001 0.000 0.281 357 V C -0.327 175.869 176.094 0.171 0.000 1.016 357 V CA -0.415 61.981 62.300 0.159 0.000 0.832 357 V CB 1.278 33.194 31.823 0.155 0.000 0.999 357 V HN 0.440 nan 8.190 nan 0.000 0.439 358 F N 5.838 125.820 119.950 0.054 0.000 2.456 358 F HA 0.344 4.871 4.527 0.001 0.000 0.358 358 F C 1.070 176.888 175.800 0.031 0.000 1.095 358 F CA -0.433 57.595 58.000 0.046 0.000 1.216 358 F CB 0.645 39.673 39.000 0.046 0.000 1.125 358 F HN 0.398 nan 8.300 nan 0.000 0.549 359 K N 5.296 125.753 120.400 0.096 0.000 2.379 359 K HA 0.124 4.443 4.320 -0.001 0.000 0.284 359 K C -1.050 175.725 176.600 0.292 0.000 1.044 359 K CA -0.320 56.038 56.287 0.118 0.000 0.974 359 K CB 0.610 33.100 32.500 -0.016 0.000 0.962 359 K HN 0.560 nan 8.250 nan 0.000 0.474 360 D N 3.399 123.914 120.400 0.192 0.000 2.344 360 D HA 0.097 4.736 4.640 -0.001 0.000 0.239 360 D C 0.213 176.553 176.300 0.066 0.000 1.064 360 D CA -0.530 53.563 54.000 0.156 0.000 0.829 360 D CB 1.265 42.108 40.800 0.072 0.000 1.129 360 D HN 0.407 nan 8.370 nan 0.000 0.506 361 R N 2.331 122.871 120.500 0.066 0.000 2.707 361 R HA 0.408 4.748 4.340 -0.001 0.000 0.270 361 R C -2.495 173.750 176.300 -0.093 0.000 1.083 361 R CA -1.190 54.913 56.100 0.006 0.000 1.182 361 R CB -0.822 29.505 30.300 0.045 0.000 1.084 361 R HN 0.149 nan 8.270 nan 0.000 0.528 362 P HA 0.156 nan 4.420 nan 0.000 0.278 362 P C -0.858 176.123 177.300 -0.532 0.000 1.238 362 P CA -0.270 62.626 63.100 -0.340 0.000 0.794 362 P CB 0.563 32.027 31.700 -0.394 0.000 0.955 363 D N 1.003 121.159 120.400 -0.407 0.000 2.363 363 D HA 0.185 4.824 4.640 -0.001 0.000 0.240 363 D C -0.462 175.506 176.300 -0.552 0.000 1.236 363 D CA 0.764 54.552 54.000 -0.353 0.000 0.927 363 D CB 0.026 40.713 40.800 -0.188 0.000 1.150 363 D HN 0.327 nan 8.370 nan 0.000 0.458 364 Y N -0.528 119.751 120.300 -0.034 0.000 2.386 364 Y HA 0.334 4.883 4.550 -0.002 0.000 0.334 364 Y C 0.173 176.010 175.900 -0.106 0.000 1.002 364 Y CA -0.972 57.076 58.100 -0.087 0.000 1.068 364 Y CB 1.847 40.262 38.460 -0.075 0.000 1.203 364 Y HN 0.059 nan 8.280 nan 0.000 0.443 365 R N 3.518 124.012 120.500 -0.010 0.000 2.393 365 R HA 0.510 4.849 4.340 -0.001 0.000 0.315 365 R C -1.726 174.496 176.300 -0.130 0.000 0.952 365 R CA -0.666 55.434 56.100 -0.000 0.000 0.842 365 R CB 0.671 30.977 30.300 0.009 0.000 1.163 365 R HN 0.537 nan 8.270 nan 0.000 0.450 366 F N 5.442 125.344 119.950 -0.080 0.000 2.472 366 F HA 0.267 4.794 4.527 0.001 0.000 0.364 366 F C 0.443 176.202 175.800 -0.067 0.000 1.090 366 F CA -0.192 57.727 58.000 -0.134 0.000 1.188 366 F CB 0.648 39.554 39.000 -0.157 0.000 1.105 366 F HN 0.334 nan 8.300 nan 0.000 0.536 367 I N 5.395 125.985 120.570 0.032 0.000 2.304 367 I HA 0.234 4.404 4.170 -0.001 0.000 0.291 367 I C -0.450 175.710 176.117 0.072 0.000 1.018 367 I CA -0.051 61.277 61.300 0.047 0.000 1.260 367 I CB 0.480 38.486 38.000 0.009 0.000 1.390 367 I HN 0.354 nan 8.210 nan 0.000 0.475 368 L N 5.743 127.022 121.223 0.094 0.000 2.334 368 L HA 0.662 5.001 4.340 -0.001 0.000 0.276 368 L C 0.798 177.704 176.870 0.060 0.000 1.014 368 L CA -0.686 54.208 54.840 0.089 0.000 0.815 368 L CB 1.595 43.724 42.059 0.118 0.000 1.268 368 L HN 0.630 nan 8.230 nan 0.000 0.428 369 G N 0.524 109.349 108.800 0.041 0.000 2.563 369 G HA2 0.198 4.157 3.960 -0.001 0.000 0.283 369 G HA3 0.198 4.157 3.960 -0.001 0.000 0.283 369 G C 0.748 175.654 174.900 0.011 0.000 1.309 369 G CA -0.161 44.953 45.100 0.023 0.000 1.022 369 G HN 0.875 nan 8.290 nan 0.000 0.501 370 E N -0.289 119.911 120.200 -0.001 0.000 2.070 370 E HA -0.188 4.162 4.350 -0.001 0.000 0.197 370 E C 1.301 177.894 176.600 -0.012 0.000 1.004 370 E CA 1.182 57.581 56.400 -0.003 0.000 0.805 370 E CB -0.087 29.605 29.700 -0.013 0.000 0.744 370 E HN 0.387 nan 8.360 nan 0.000 0.451 371 K N 0.212 120.551 120.400 -0.101 0.000 2.708 371 K HA 0.155 4.475 4.320 -0.001 0.000 0.219 371 K C 0.465 176.875 176.600 -0.318 0.000 1.068 371 K CA 0.373 56.509 56.287 -0.252 0.000 1.212 371 K CB 0.380 32.567 32.500 -0.522 0.000 0.978 371 K HN 0.432 nan 8.250 nan 0.000 0.475 372 G N 2.101 110.747 108.800 -0.258 0.000 2.168 372 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.263 372 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.263 372 G C -0.118 174.656 174.900 -0.211 0.000 0.977 372 G CA 0.669 45.425 45.100 -0.573 0.000 0.659 372 G HN 0.612 nan 8.290 nan 0.000 0.533 373 E N -0.178 119.963 120.200 -0.099 0.000 2.360 373 E HA 0.455 4.805 4.350 -0.001 0.000 0.269 373 E C 0.528 177.166 176.600 0.062 0.000 1.022 373 E CA -0.405 55.999 56.400 0.007 0.000 0.887 373 E CB 1.839 31.552 29.700 0.021 0.000 0.990 373 E HN 0.993 nan 8.360 nan 0.000 0.426 374 V N 4.840 124.824 119.914 0.117 0.000 2.408 374 V HA 0.043 4.163 4.120 -0.001 0.000 0.267 374 V C 0.453 176.648 176.094 0.169 0.000 1.047 374 V CA -0.557 61.821 62.300 0.131 0.000 0.937 374 V CB 0.614 32.516 31.823 0.130 0.000 0.999 374 V HN 0.765 nan 8.190 nan 0.000 0.472 375 L N 4.010 125.299 121.223 0.109 0.000 2.127 375 L HA 0.434 4.774 4.340 -0.001 0.000 0.203 375 L C 0.905 177.875 176.870 0.166 0.000 1.080 375 L CA 1.231 56.153 54.840 0.137 0.000 0.768 375 L CB -1.092 41.019 42.059 0.086 0.000 0.924 375 L HN 0.909 nan 8.230 nan 0.000 0.444 376 D N -2.244 118.146 120.400 -0.017 0.000 2.622 376 D HA 0.449 5.089 4.640 -0.001 0.000 0.255 376 D C -1.235 174.784 176.300 -0.467 0.000 1.246 376 D CA -0.342 53.561 54.000 -0.162 0.000 0.795 376 D CB 1.985 42.785 40.800 -0.000 0.000 1.369 376 D HN -0.141 nan 8.370 nan 0.000 0.425 377 I N 1.975 122.162 120.570 -0.639 0.000 2.493 377 I HA 0.290 4.460 4.170 -0.001 0.000 0.279 377 I C -0.327 175.622 176.117 -0.280 0.000 1.045 377 I CA -0.975 59.931 61.300 -0.656 0.000 1.106 377 I CB 1.651 39.035 38.000 -1.028 0.000 1.216 377 I HN 0.166 nan 8.210 nan 0.000 0.459 378 V N 2.957 122.780 119.914 -0.152 0.000 2.547 378 V HA 0.857 4.977 4.120 -0.001 0.000 0.299 378 V C 0.617 176.770 176.094 0.097 0.000 1.040 378 V CA -0.684 61.616 62.300 -0.001 0.000 0.913 378 V CB 1.479 33.295 31.823 -0.011 0.000 0.992 378 V HN 0.703 nan 8.190 nan 0.000 0.449 379 A N 3.069 125.977 122.820 0.146 0.000 2.498 379 A HA 0.440 4.760 4.320 -0.001 0.000 0.239 379 A C 0.340 177.869 177.584 -0.092 0.000 1.068 379 A CA 0.049 52.090 52.037 0.007 0.000 0.766 379 A CB 0.033 19.059 19.000 0.043 0.000 1.003 379 A HN 1.019 nan 8.150 nan 0.000 0.497 380 E N 2.159 122.234 120.200 -0.209 0.000 2.761 380 E HA 0.294 4.644 4.350 -0.001 0.000 0.266 380 E C -2.767 173.722 176.600 -0.184 0.000 1.097 380 E CA -1.710 54.599 56.400 -0.152 0.000 0.773 380 E CB 1.336 30.960 29.700 -0.126 0.000 1.453 380 E HN 0.477 nan 8.360 nan 0.000 0.388 381 P HA 0.125 nan 4.420 nan 0.000 0.274 381 P C -0.747 176.474 177.300 -0.131 0.000 1.231 381 P CA -0.310 62.711 63.100 -0.131 0.000 0.790 381 P CB 0.622 32.273 31.700 -0.082 0.000 0.951 382 R N 2.864 123.288 120.500 -0.127 0.000 2.242 382 R HA 0.240 4.580 4.340 -0.001 0.000 0.334 382 R C 0.904 177.150 176.300 -0.090 0.000 1.071 382 R CA -0.212 55.806 56.100 -0.138 0.000 0.922 382 R CB 0.506 30.731 30.300 -0.125 0.000 1.023 382 R HN 0.558 nan 8.270 nan 0.000 0.458 383 R N 2.305 122.753 120.500 -0.087 0.000 2.917 383 R HA 0.298 4.638 4.340 -0.001 0.000 0.220 383 R C 1.398 177.685 176.300 -0.022 0.000 1.485 383 R CA -0.930 55.147 56.100 -0.039 0.000 1.037 383 R CB 0.107 30.398 30.300 -0.015 0.000 1.929 383 R HN 0.388 nan 8.270 nan 0.000 0.526 384 I N 1.018 121.598 120.570 0.016 0.000 2.286 384 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 384 I C 2.297 178.457 176.117 0.071 0.000 1.115 384 I CA 2.004 63.328 61.300 0.041 0.000 1.392 384 I CB -0.255 37.777 38.000 0.052 0.000 1.065 384 I HN 0.801 nan 8.210 nan 0.000 0.418 385 A N 0.741 123.625 122.820 0.106 0.000 1.902 385 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 385 A C 1.946 179.665 177.584 0.224 0.000 1.181 385 A CA 2.389 54.551 52.037 0.208 0.000 0.623 385 A CB -1.168 18.010 19.000 0.296 0.000 0.818 385 A HN 0.611 nan 8.150 nan 0.000 0.443 386 N N -0.621 118.051 118.700 -0.045 0.000 2.069 386 N HA -0.162 4.578 4.740 -0.001 0.000 0.191 386 N C 1.880 177.352 175.510 -0.062 0.000 1.031 386 N CA 1.630 54.504 53.050 -0.293 0.000 0.852 386 N CB -0.267 37.964 38.487 -0.427 0.000 1.018 386 N HN 0.489 nan 8.380 nan 0.000 0.423 387 R N 0.507 120.991 120.500 -0.026 0.000 2.096 387 R HA 0.031 4.371 4.340 -0.001 0.000 0.235 387 R C 1.989 178.319 176.300 0.050 0.000 1.127 387 R CA 0.925 57.032 56.100 0.012 0.000 0.968 387 R CB -0.263 30.048 30.300 0.017 0.000 0.861 387 R HN 0.261 nan 8.270 nan 0.000 0.440 388 I N -0.402 120.214 120.570 0.077 0.000 2.127 388 I HA -0.310 3.859 4.170 -0.001 0.000 0.241 388 I C 2.031 178.201 176.117 0.090 0.000 1.075 388 I CA 1.293 62.645 61.300 0.087 0.000 1.334 388 I CB -0.194 37.867 38.000 0.102 0.000 1.040 388 I HN 0.045 nan 8.210 nan 0.000 0.405 389 V N 0.660 120.652 119.914 0.131 0.000 2.295 389 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 389 V C 2.461 178.603 176.094 0.079 0.000 1.049 389 V CA 2.209 64.582 62.300 0.122 0.000 1.024 389 V CB -0.709 31.244 31.823 0.216 0.000 0.648 389 V HN 0.511 nan 8.190 nan 0.000 0.447 390 E N 0.066 120.304 120.200 0.064 0.000 2.070 390 E HA -0.281 4.068 4.350 -0.001 0.000 0.197 390 E C 2.185 178.818 176.600 0.055 0.000 1.004 390 E CA 1.737 58.163 56.400 0.043 0.000 0.805 390 E CB -0.072 29.638 29.700 0.017 0.000 0.744 390 E HN 0.597 nan 8.360 nan 0.000 0.451 391 E N 0.283 120.518 120.200 0.058 0.000 2.051 391 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 391 E C 2.077 178.712 176.600 0.058 0.000 0.991 391 E CA 1.030 57.469 56.400 0.064 0.000 0.799 391 E CB -0.441 29.299 29.700 0.067 0.000 0.748 391 E HN 0.419 nan 8.360 nan 0.000 0.449 392 A N 1.595 124.446 122.820 0.052 0.000 1.883 392 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 392 A C 2.226 179.839 177.584 0.048 0.000 1.186 392 A CA 1.855 53.919 52.037 0.045 0.000 0.624 392 A CB -0.388 18.636 19.000 0.040 0.000 0.822 392 A HN 0.120 nan 8.150 nan 0.000 0.444 393 M N -0.618 119.007 119.600 0.042 0.000 2.099 393 M HA -0.025 4.454 4.480 -0.001 0.000 0.262 393 M C 2.224 178.584 176.300 0.100 0.000 1.067 393 M CA 1.250 56.565 55.300 0.025 0.000 1.124 393 M CB -1.327 31.279 32.600 0.011 0.000 1.353 393 M HN 0.412 nan 8.290 nan 0.000 0.410 394 I N 0.312 120.965 120.570 0.139 0.000 2.208 394 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 394 I C 2.604 178.855 176.117 0.224 0.000 1.097 394 I CA 1.253 62.693 61.300 0.233 0.000 1.363 394 I CB -0.549 37.524 38.000 0.122 0.000 1.051 394 I HN 0.227 nan 8.210 nan 0.000 0.413 395 A N 0.681 123.573 122.820 0.120 0.000 1.877 395 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 395 A C 2.553 180.220 177.584 0.140 0.000 1.186 395 A CA 1.960 54.040 52.037 0.072 0.000 0.620 395 A CB -0.929 18.084 19.000 0.020 0.000 0.822 395 A HN 0.433 nan 8.150 nan 0.000 0.443 396 A N 0.365 123.296 122.820 0.185 0.000 1.865 396 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 396 A C 1.891 179.829 177.584 0.589 0.000 1.191 396 A CA 1.816 54.070 52.037 0.362 0.000 0.623 396 A CB -0.714 18.442 19.000 0.260 0.000 0.826 396 A HN 0.556 nan 8.150 nan 0.000 0.444 397 N N -0.083 118.844 118.700 0.379 0.000 2.289 397 N HA -0.080 4.659 4.740 -0.001 0.000 0.184 397 N C 1.587 177.211 175.510 0.191 0.000 1.016 397 N CA 1.228 54.433 53.050 0.258 0.000 0.872 397 N CB -0.400 38.003 38.487 -0.140 0.000 0.973 397 N HN 0.595 nan 8.380 nan 0.000 0.433 398 I N 0.283 121.014 120.570 0.268 0.000 2.233 398 I HA -0.245 3.924 4.170 -0.001 0.000 0.243 398 I C 2.091 178.310 176.117 0.170 0.000 1.093 398 I CA 0.620 62.057 61.300 0.229 0.000 1.380 398 I CB -0.110 37.978 38.000 0.148 0.000 1.067 398 I HN 0.121 nan 8.210 nan 0.000 0.413 399 C N 0.704 120.109 119.300 0.176 0.000 2.398 399 C HA -0.226 4.233 4.460 -0.001 0.000 0.276 399 C C 3.159 178.297 174.990 0.247 0.000 1.222 399 C CA 1.124 60.252 59.018 0.183 0.000 1.746 399 C CB -1.317 26.497 27.740 0.123 0.000 2.039 399 C HN 0.614 nan 8.230 nan 0.000 0.470 400 A N 0.279 123.236 122.820 0.229 0.000 1.933 400 A HA 0.059 4.379 4.320 -0.001 0.000 0.218 400 A C 2.336 179.850 177.584 -0.118 0.000 1.175 400 A CA 2.104 54.062 52.037 -0.132 0.000 0.628 400 A CB -0.795 17.996 19.000 -0.347 0.000 0.814 400 A HN 0.611 nan 8.150 nan 0.000 0.444 401 A N -0.242 122.593 122.820 0.026 0.000 1.898 401 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 401 A C 2.256 179.951 177.584 0.186 0.000 1.181 401 A CA 1.414 53.541 52.037 0.151 0.000 0.620 401 A CB -0.418 18.757 19.000 0.292 0.000 0.819 401 A HN 0.555 nan 8.150 nan 0.000 0.442 402 R N -0.605 119.970 120.500 0.124 0.000 2.070 402 R HA -0.094 4.245 4.340 -0.001 0.000 0.232 402 R C 2.113 178.438 176.300 0.042 0.000 1.138 402 R CA 1.628 57.782 56.100 0.090 0.000 0.936 402 R CB -0.809 29.538 30.300 0.078 0.000 0.839 402 R HN 0.368 nan 8.270 nan 0.000 0.429 403 V N 1.957 121.878 119.914 0.011 0.000 2.252 403 V HA -0.267 3.853 4.120 -0.001 0.000 0.249 403 V C 2.427 178.440 176.094 -0.135 0.000 1.056 403 V CA 1.865 64.126 62.300 -0.065 0.000 1.022 403 V CB -0.586 31.175 31.823 -0.103 0.000 0.641 403 V HN 0.289 nan 8.190 nan 0.000 0.445 404 L N -0.525 120.595 121.223 -0.173 0.000 2.079 404 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 404 L C 2.794 179.622 176.870 -0.071 0.000 1.081 404 L CA 1.678 56.416 54.840 -0.171 0.000 0.752 404 L CB -0.682 41.266 42.059 -0.185 0.000 0.896 404 L HN 0.265 nan 8.230 nan 0.000 0.433 405 R N 0.634 121.168 120.500 0.056 0.000 2.066 405 R HA -0.152 4.188 4.340 -0.001 0.000 0.232 405 R C 1.304 177.589 176.300 -0.026 0.000 1.131 405 R CA 1.934 58.059 56.100 0.041 0.000 0.955 405 R CB -0.241 30.102 30.300 0.072 0.000 0.851 405 R HN 0.312 nan 8.270 nan 0.000 0.432 406 D N -0.084 120.302 120.400 -0.024 0.000 2.363 406 D HA -0.012 4.628 4.640 -0.001 0.000 0.226 406 D C 1.190 177.455 176.300 -0.058 0.000 1.020 406 D CA 0.729 54.712 54.000 -0.029 0.000 0.892 406 D CB 0.393 41.186 40.800 -0.011 0.000 0.900 406 D HN 0.113 nan 8.370 nan 0.000 0.531 407 K N -0.967 119.372 120.400 -0.102 0.000 2.550 407 K HA 0.276 4.595 4.320 -0.001 0.000 0.205 407 K C 1.407 177.894 176.600 -0.188 0.000 1.429 407 K CA 0.150 56.361 56.287 -0.127 0.000 0.997 407 K CB 1.139 33.558 32.500 -0.136 0.000 1.328 407 K HN 0.117 nan 8.250 nan 0.000 0.546 408 L N -0.940 120.107 121.223 -0.294 0.000 2.624 408 L HA 0.224 4.564 4.340 -0.001 0.000 0.222 408 L C 1.244 177.816 176.870 -0.496 0.000 1.046 408 L CA 0.797 55.312 54.840 -0.540 0.000 0.872 408 L CB 0.361 41.830 42.059 -0.983 0.000 1.190 408 L HN 0.380 nan 8.230 nan 0.000 0.487 409 G N 1.367 109.994 108.800 -0.289 0.000 2.199 409 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.254 409 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.254 409 G C 0.132 175.053 174.900 0.035 0.000 0.982 409 G CA 0.556 45.600 45.100 -0.092 0.000 0.632 409 G HN 0.345 nan 8.290 nan 0.000 0.529 410 F N -1.540 118.471 119.950 0.103 0.000 2.650 410 F HA 0.929 5.455 4.527 -0.001 0.000 0.320 410 F C 0.429 176.365 175.800 0.226 0.000 1.091 410 F CA -1.034 57.064 58.000 0.165 0.000 0.962 410 F CB 1.232 40.286 39.000 0.090 0.000 1.363 410 F HN 0.990 nan 8.300 nan 0.000 0.482 411 G N 0.199 109.348 108.800 0.581 0.000 2.321 411 G HA2 0.396 4.356 3.960 -0.001 0.000 0.296 411 G HA3 0.396 4.356 3.960 -0.001 0.000 0.296 411 G C -2.258 172.734 174.900 0.153 0.000 1.287 411 G CA -1.040 44.199 45.100 0.233 0.000 0.846 411 G HN 0.619 nan 8.290 nan 0.000 0.508 412 I N 1.451 121.996 120.570 -0.041 0.000 2.308 412 I HA 0.343 4.513 4.170 -0.001 0.000 0.293 412 I C -0.650 175.394 176.117 -0.121 0.000 1.078 412 I CA -0.631 60.669 61.300 0.001 0.000 1.292 412 I CB -0.558 37.444 38.000 0.004 0.000 1.423 412 I HN 0.315 nan 8.210 nan 0.000 0.493 413 Y N 4.828 125.191 120.300 0.105 0.000 2.420 413 Y HA 0.363 4.912 4.550 -0.001 0.000 0.334 413 Y C 0.815 176.813 175.900 0.163 0.000 1.094 413 Y CA -0.508 57.664 58.100 0.121 0.000 1.126 413 Y CB 1.464 40.001 38.460 0.128 0.000 1.217 413 Y HN 0.429 nan 8.280 nan 0.000 0.462 414 N N 2.811 121.738 118.700 0.379 0.000 2.501 414 N HA 0.357 5.097 4.740 -0.001 0.000 0.245 414 N C -1.349 174.470 175.510 0.516 0.000 0.974 414 N CA -0.244 53.055 53.050 0.415 0.000 0.941 414 N CB 1.811 40.560 38.487 0.437 0.000 1.122 414 N HN 0.395 nan 8.380 nan 0.000 0.507 415 V N -0.267 119.851 119.914 0.341 0.000 2.581 415 V HA 0.543 4.662 4.120 -0.001 0.000 0.303 415 V C -0.359 175.781 176.094 0.075 0.000 1.041 415 V CA -0.639 61.795 62.300 0.223 0.000 0.907 415 V CB 2.295 34.205 31.823 0.146 0.000 0.994 415 V HN 0.708 nan 8.190 nan 0.000 0.442 416 H N 6.020 124.946 119.070 -0.240 0.000 3.096 416 H HA 0.360 4.915 4.556 -0.001 0.000 0.335 416 H C 0.289 175.382 175.328 -0.392 0.000 0.990 416 H CA -0.213 55.602 56.048 -0.388 0.000 1.393 416 H CB 2.230 31.526 29.762 -0.776 0.000 1.742 416 H HN 0.973 nan 8.280 nan 0.000 0.501 417 M N 3.203 122.337 119.600 -0.777 0.000 2.558 417 M HA 0.219 4.699 4.480 -0.001 0.000 0.255 417 M C 1.135 176.465 176.300 -1.616 0.000 1.113 417 M CA 1.480 56.143 55.300 -1.063 0.000 1.097 417 M CB 0.406 32.627 32.600 -0.633 0.000 1.426 417 M HN 0.779 nan 8.290 nan 0.000 0.488 418 G N 1.510 109.315 108.800 -1.658 0.000 5.353 418 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.283 418 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.283 418 G C -0.091 174.312 174.900 -0.828 0.000 1.457 418 G CA 0.263 44.509 45.100 -1.424 0.000 0.951 418 G HN 0.515 nan 8.290 nan 0.000 0.731 419 F N 1.798 121.555 119.950 -0.320 0.000 2.520 419 F HA 0.562 5.088 4.527 -0.002 0.000 0.322 419 F C -0.110 175.581 175.800 -0.181 0.000 1.103 419 F CA -0.528 57.413 58.000 -0.100 0.000 0.926 419 F CB 2.083 41.102 39.000 0.033 0.000 1.154 419 F HN 0.269 nan 8.300 nan 0.000 0.453 420 D N 4.372 124.831 120.400 0.098 0.000 2.383 420 D HA 0.172 4.811 4.640 -0.001 0.000 0.252 420 D C -1.762 174.543 176.300 0.008 0.000 1.166 420 D CA -1.609 52.388 54.000 -0.005 0.000 0.879 420 D CB 1.333 42.132 40.800 -0.002 0.000 1.164 420 D HN 0.117 nan 8.370 nan 0.000 0.462 421 P HA -0.138 nan 4.420 nan 0.000 0.219 421 P C 0.752 178.035 177.300 -0.028 0.000 1.146 421 P CA 1.033 64.116 63.100 -0.029 0.000 0.808 421 P CB 0.104 31.781 31.700 -0.037 0.000 0.779 422 A N -0.865 121.945 122.820 -0.018 0.000 2.121 422 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 422 A C 1.830 179.411 177.584 -0.006 0.000 1.154 422 A CA 1.409 53.440 52.037 -0.010 0.000 0.679 422 A CB -1.324 17.676 19.000 -0.000 0.000 0.795 422 A HN 0.270 nan 8.150 nan 0.000 0.458 423 N N -0.821 117.879 118.700 -0.002 0.000 2.236 423 N HA 0.245 4.985 4.740 -0.001 0.000 0.196 423 N C 1.606 176.971 175.510 -0.242 0.000 1.114 423 N CA 0.406 53.440 53.050 -0.026 0.000 0.859 423 N CB 0.119 38.712 38.487 0.177 0.000 0.982 423 N HN 0.427 nan 8.380 nan 0.000 0.493 424 A N 1.224 123.932 122.820 -0.186 0.000 1.933 424 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 424 A C 1.592 179.004 177.584 -0.287 0.000 1.175 424 A CA 1.523 53.408 52.037 -0.254 0.000 0.628 424 A CB -0.177 18.744 19.000 -0.132 0.000 0.814 424 A HN 0.108 nan 8.150 nan 0.000 0.444 425 D N -0.153 120.123 120.400 -0.206 0.000 2.149 425 D HA 0.042 4.681 4.640 -0.001 0.000 0.201 425 D C 2.209 178.372 176.300 -0.228 0.000 0.972 425 D CA 1.379 55.271 54.000 -0.179 0.000 0.835 425 D CB -0.359 40.377 40.800 -0.106 0.000 0.966 425 D HN 0.414 nan 8.370 nan 0.000 0.476 426 A N 0.969 123.625 122.820 -0.273 0.000 1.898 426 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 426 A C 2.175 179.425 177.584 -0.556 0.000 1.181 426 A CA 0.605 52.472 52.037 -0.282 0.000 0.620 426 A CB -0.710 18.220 19.000 -0.116 0.000 0.819 426 A HN 0.245 nan 8.150 nan 0.000 0.442 427 L N -0.391 120.229 121.223 -1.004 0.000 1.970 427 L HA -0.236 4.104 4.340 -0.001 0.000 0.212 427 L C 2.875 179.434 176.870 -0.519 0.000 1.071 427 L CA 2.072 56.276 54.840 -1.059 0.000 0.751 427 L CB -0.772 40.616 42.059 -1.119 0.000 0.889 427 L HN 0.428 nan 8.230 nan 0.000 0.432 428 A N -0.167 122.400 122.820 -0.422 0.000 1.892 428 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 428 A C 2.429 179.882 177.584 -0.218 0.000 1.188 428 A CA 2.200 54.057 52.037 -0.300 0.000 0.631 428 A CB -0.976 17.865 19.000 -0.266 0.000 0.822 428 A HN 0.633 nan 8.150 nan 0.000 0.447 429 A N -0.780 121.932 122.820 -0.181 0.000 1.902 429 A HA -0.018 4.302 4.320 -0.001 0.000 0.217 429 A C 2.155 179.713 177.584 -0.043 0.000 1.181 429 A CA 1.780 53.758 52.037 -0.099 0.000 0.623 429 A CB -0.595 18.360 19.000 -0.075 0.000 0.818 429 A HN 0.765 nan 8.150 nan 0.000 0.443 430 L N -0.277 120.921 121.223 -0.041 0.000 2.027 430 L HA -0.070 4.269 4.340 -0.001 0.000 0.206 430 L C 2.271 179.227 176.870 0.143 0.000 1.074 430 L CA 1.664 56.555 54.840 0.084 0.000 0.745 430 L CB -0.512 41.619 42.059 0.119 0.000 0.898 430 L HN 0.392 nan 8.230 nan 0.000 0.433 431 L N -0.679 120.553 121.223 0.014 0.000 2.027 431 L HA -0.222 4.118 4.340 -0.001 0.000 0.206 431 L C 2.595 179.499 176.870 0.057 0.000 1.074 431 L CA 1.510 56.364 54.840 0.024 0.000 0.745 431 L CB -0.570 41.448 42.059 -0.068 0.000 0.898 431 L HN 0.224 nan 8.230 nan 0.000 0.433 432 K N -0.935 119.458 120.400 -0.012 0.000 2.152 432 K HA -0.191 4.128 4.320 -0.001 0.000 0.206 432 K C 2.076 178.699 176.600 0.037 0.000 1.048 432 K CA 1.766 58.054 56.287 0.001 0.000 0.933 432 K CB -0.250 32.218 32.500 -0.053 0.000 0.721 432 K HN 0.149 nan 8.250 nan 0.000 0.447 433 T N -0.358 114.219 114.554 0.040 0.000 3.055 433 T HA -0.041 4.308 4.350 -0.001 0.000 0.265 433 T C 1.121 175.771 174.700 -0.082 0.000 1.111 433 T CA 0.613 62.705 62.100 -0.014 0.000 1.118 433 T CB -0.017 68.833 68.868 -0.030 0.000 0.909 433 T HN 0.277 nan 8.240 nan 0.000 0.501 434 H N -0.310 118.782 119.070 0.038 0.000 2.539 434 H HA 0.283 4.839 4.556 -0.001 0.000 0.269 434 H C 1.620 176.979 175.328 0.052 0.000 0.980 434 H CA 0.624 56.709 56.048 0.061 0.000 1.152 434 H CB 0.396 30.211 29.762 0.089 0.000 1.407 434 H HN 0.510 nan 8.280 nan 0.000 0.564 435 G N 1.232 110.103 108.800 0.118 0.000 2.164 435 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.212 435 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.212 435 G C -0.385 174.567 174.900 0.088 0.000 1.031 435 G CA 0.029 45.179 45.100 0.083 0.000 0.730 435 G HN 0.277 nan 8.290 nan 0.000 0.501 436 L N 0.814 122.091 121.223 0.090 0.000 2.415 436 L HA 0.684 5.024 4.340 -0.001 0.000 0.268 436 L C 0.140 177.048 176.870 0.063 0.000 0.984 436 L CA -1.195 53.689 54.840 0.073 0.000 0.853 436 L CB 1.014 43.105 42.059 0.054 0.000 1.215 436 L HN 0.341 nan 8.230 nan 0.000 0.419 437 H N 3.192 122.261 119.070 -0.002 0.000 2.764 437 H HA 0.551 5.106 4.556 -0.001 0.000 0.341 437 H C -0.921 174.392 175.328 -0.025 0.000 1.072 437 H CA 0.823 56.863 56.048 -0.013 0.000 1.444 437 H CB 1.125 30.880 29.762 -0.012 0.000 1.458 437 H HN 0.488 nan 8.280 nan 0.000 0.572 438 V N 4.145 123.750 119.914 -0.514 0.000 3.049 438 V HA 0.268 4.387 4.120 -0.001 0.000 0.309 438 V C -1.364 174.476 176.094 -0.423 0.000 1.148 438 V CA -0.834 61.278 62.300 -0.313 0.000 0.990 438 V CB 2.423 34.123 31.823 -0.205 0.000 1.039 438 V HN 1.029 nan 8.190 nan 0.000 0.430 439 D N 3.616 123.906 120.400 -0.183 0.000 2.303 439 D HA 0.699 5.339 4.640 -0.001 0.000 0.236 439 D C 0.838 177.082 176.300 -0.093 0.000 1.068 439 D CA 0.330 54.264 54.000 -0.111 0.000 0.830 439 D CB 2.186 42.990 40.800 0.007 0.000 1.109 439 D HN 0.805 nan 8.370 nan 0.000 0.496 440 A N 3.627 126.380 122.820 -0.112 0.000 1.933 440 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 440 A C 1.750 179.304 177.584 -0.050 0.000 1.175 440 A CA 1.252 53.220 52.037 -0.115 0.000 0.628 440 A CB -0.372 18.554 19.000 -0.124 0.000 0.814 440 A HN 0.761 nan 8.150 nan 0.000 0.444 441 E N -0.449 119.738 120.200 -0.021 0.000 2.072 441 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 441 E C 1.996 178.623 176.600 0.046 0.000 0.982 441 E CA 1.108 57.516 56.400 0.013 0.000 0.803 441 E CB -0.161 29.547 29.700 0.013 0.000 0.755 441 E HN 0.715 nan 8.360 nan 0.000 0.453 442 E N 0.523 120.749 120.200 0.044 0.000 2.077 442 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 442 E C 2.123 178.798 176.600 0.126 0.000 0.989 442 E CA 0.704 57.147 56.400 0.071 0.000 0.800 442 E CB 0.018 29.750 29.700 0.053 0.000 0.746 442 E HN 0.024 nan 8.360 nan 0.000 0.452 443 V N 1.137 121.119 119.914 0.114 0.000 2.913 443 V HA -0.150 3.969 4.120 -0.001 0.000 0.260 443 V C 1.650 177.982 176.094 0.397 0.000 1.098 443 V CA 1.125 63.555 62.300 0.217 0.000 1.121 443 V CB -0.157 31.697 31.823 0.052 0.000 0.714 443 V HN 0.228 nan 8.190 nan 0.000 0.487 444 L N 0.168 121.553 121.223 0.270 0.000 2.592 444 L HA 0.149 4.489 4.340 -0.001 0.000 0.227 444 L C 1.140 178.245 176.870 0.391 0.000 1.127 444 L CA 0.441 55.450 54.840 0.282 0.000 0.884 444 L CB -0.347 41.782 42.059 0.116 0.000 1.065 444 L HN 0.449 nan 8.230 nan 0.000 0.457 445 T N -3.981 110.780 114.554 0.345 0.000 2.943 445 T HA 0.283 4.632 4.350 -0.001 0.000 0.284 445 T C 1.283 176.035 174.700 0.087 0.000 1.015 445 T CA -0.706 61.551 62.100 0.262 0.000 1.042 445 T CB 1.949 70.891 68.868 0.124 0.000 1.055 445 T HN -0.081 nan 8.240 nan 0.000 0.500 446 L N 0.616 121.679 121.223 -0.265 0.000 1.990 446 L HA -0.153 4.187 4.340 -0.001 0.000 0.213 446 L C 2.187 178.944 176.870 -0.189 0.000 1.072 446 L CA 2.257 56.732 54.840 -0.608 0.000 0.755 446 L CB -0.648 41.163 42.059 -0.413 0.000 0.889 446 L HN 0.800 nan 8.230 nan 0.000 0.432 447 D N -0.669 119.690 120.400 -0.069 0.000 2.117 447 D HA -0.135 4.505 4.640 -0.001 0.000 0.198 447 D C 2.053 178.367 176.300 0.024 0.000 0.982 447 D CA 1.205 55.192 54.000 -0.021 0.000 0.828 447 D CB -0.405 40.388 40.800 -0.012 0.000 0.967 447 D HN 0.378 nan 8.370 nan 0.000 0.464 448 G N 0.057 108.898 108.800 0.068 0.000 2.440 448 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 448 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 448 G C 1.395 176.395 174.900 0.167 0.000 1.154 448 G CA 0.368 45.533 45.100 0.109 0.000 0.767 448 G HN 0.257 nan 8.290 nan 0.000 0.552 449 F N 0.955 120.952 119.950 0.078 0.000 2.146 449 F HA -0.066 4.462 4.527 0.001 0.000 0.298 449 F C 2.685 178.529 175.800 0.073 0.000 1.096 449 F CA 1.288 59.383 58.000 0.159 0.000 1.275 449 F CB -0.355 38.749 39.000 0.174 0.000 1.008 449 F HN 0.190 nan 8.300 nan 0.000 0.480 450 C N 0.903 120.251 119.300 0.079 0.000 2.446 450 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 450 C C 2.776 177.714 174.990 -0.087 0.000 1.275 450 C CA 1.250 60.254 59.018 -0.024 0.000 1.727 450 C CB -1.053 26.688 27.740 0.001 0.000 2.010 450 C HN 0.500 nan 8.230 nan 0.000 0.486 451 K N 0.585 120.954 120.400 -0.051 0.000 2.044 451 K HA -0.223 4.097 4.320 -0.001 0.000 0.210 451 K C 1.952 178.513 176.600 -0.066 0.000 1.049 451 K CA 1.607 57.863 56.287 -0.051 0.000 0.927 451 K CB -0.378 32.111 32.500 -0.019 0.000 0.713 451 K HN 0.398 nan 8.250 nan 0.000 0.443 452 L N 1.118 122.295 121.223 -0.076 0.000 2.109 452 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 452 L C 2.357 179.145 176.870 -0.136 0.000 1.086 452 L CA 1.447 56.237 54.840 -0.084 0.000 0.760 452 L CB -0.436 41.590 42.059 -0.056 0.000 0.910 452 L HN 0.060 nan 8.230 nan 0.000 0.437 453 R N 0.080 120.440 120.500 -0.232 0.000 2.066 453 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 453 R C 2.408 178.617 176.300 -0.152 0.000 1.131 453 R CA 1.685 57.632 56.100 -0.256 0.000 0.955 453 R CB -0.345 29.748 30.300 -0.345 0.000 0.851 453 R HN 0.349 nan 8.270 nan 0.000 0.432 454 R N -0.335 120.093 120.500 -0.120 0.000 2.096 454 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 454 R C 2.121 178.384 176.300 -0.062 0.000 1.127 454 R CA 1.616 57.665 56.100 -0.084 0.000 0.968 454 R CB -0.294 29.956 30.300 -0.083 0.000 0.861 454 R HN 0.209 nan 8.270 nan 0.000 0.440 455 E N 0.746 120.912 120.200 -0.058 0.000 2.106 455 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 455 E C 1.660 178.239 176.600 -0.033 0.000 0.984 455 E CA 0.865 57.244 56.400 -0.035 0.000 0.806 455 E CB -0.054 29.632 29.700 -0.024 0.000 0.750 455 E HN 0.037 nan 8.360 nan 0.000 0.458 456 L N 1.202 122.394 121.223 -0.051 0.000 2.046 456 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 456 L C 1.570 178.409 176.870 -0.051 0.000 1.077 456 L CA 1.825 56.636 54.840 -0.047 0.000 0.747 456 L CB -0.968 41.052 42.059 -0.064 0.000 0.896 456 L HN 0.168 nan 8.230 nan 0.000 0.432 457 D N -0.546 119.812 120.400 -0.071 0.000 2.218 457 D HA -0.095 4.544 4.640 -0.001 0.000 0.204 457 D C 1.977 178.257 176.300 -0.034 0.000 0.976 457 D CA 1.206 55.166 54.000 -0.067 0.000 0.853 457 D CB 0.006 40.759 40.800 -0.078 0.000 0.939 457 D HN 0.324 nan 8.370 nan 0.000 0.481 458 A N 0.335 123.140 122.820 -0.024 0.000 2.238 458 A HA -0.028 4.292 4.320 -0.001 0.000 0.208 458 A C 0.867 178.451 177.584 -0.001 0.000 1.177 458 A CA 0.138 52.169 52.037 -0.010 0.000 0.804 458 A CB -0.022 18.973 19.000 -0.008 0.000 0.823 458 A HN -0.008 nan 8.150 nan 0.000 0.482 459 Q N 0.027 119.828 119.800 0.001 0.000 2.288 459 Q HA 0.219 4.559 4.340 -0.001 0.000 0.254 459 Q C -1.502 174.510 176.000 0.020 0.000 0.932 459 Q CA -1.853 53.961 55.803 0.017 0.000 0.902 459 Q CB 0.432 29.187 28.738 0.029 0.000 1.203 459 Q HN 0.126 nan 8.270 nan 0.000 0.415 460 P HA -0.193 nan 4.420 nan 0.000 0.218 460 P C 0.496 177.816 177.300 0.033 0.000 1.165 460 P CA 1.864 64.979 63.100 0.025 0.000 0.922 460 P CB 0.049 31.763 31.700 0.024 0.000 0.794 461 T N -5.524 109.062 114.554 0.053 0.000 2.942 461 T HA 0.603 4.953 4.350 -0.001 0.000 0.289 461 T C 0.997 175.750 174.700 0.089 0.000 1.044 461 T CA -0.336 61.808 62.100 0.074 0.000 1.023 461 T CB 1.651 70.576 68.868 0.096 0.000 1.123 461 T HN 0.044 nan 8.240 nan 0.000 0.512 462 G N -0.068 108.785 108.800 0.089 0.000 3.262 462 G HA2 0.162 4.121 3.960 -0.001 0.000 0.228 462 G HA3 0.162 4.121 3.960 -0.001 0.000 0.228 462 G C 0.637 175.589 174.900 0.088 0.000 1.197 462 G CA -0.400 44.739 45.100 0.064 0.000 0.819 462 G HN 0.668 nan 8.290 nan 0.000 0.531 463 F N 1.144 121.093 119.950 -0.001 0.000 2.046 463 F HA -0.093 4.433 4.527 -0.001 0.000 0.297 463 F C 2.345 178.124 175.800 -0.036 0.000 1.123 463 F CA 1.435 59.430 58.000 -0.008 0.000 1.199 463 F CB -0.139 38.861 39.000 -0.001 0.000 0.972 463 F HN 0.089 nan 8.300 nan 0.000 0.474 464 L N -0.017 121.154 121.223 -0.085 0.000 2.042 464 L HA -0.255 4.084 4.340 -0.001 0.000 0.210 464 L C 2.255 179.004 176.870 -0.202 0.000 1.076 464 L CA 1.943 56.647 54.840 -0.228 0.000 0.749 464 L CB -0.986 41.041 42.059 -0.054 0.000 0.893 464 L HN 0.217 nan 8.230 nan 0.000 0.432 465 D N 0.081 120.424 120.400 -0.095 0.000 2.116 465 D HA -0.223 4.416 4.640 -0.001 0.000 0.193 465 D C 2.282 178.545 176.300 -0.062 0.000 0.998 465 D CA 1.777 55.750 54.000 -0.045 0.000 0.836 465 D CB 0.066 40.850 40.800 -0.027 0.000 0.951 465 D HN 0.325 nan 8.370 nan 0.000 0.449 466 S N -0.875 114.745 115.700 -0.133 0.000 2.399 466 S HA -0.148 4.322 4.470 -0.001 0.000 0.231 466 S C 2.058 176.541 174.600 -0.196 0.000 1.022 466 S CA 0.670 58.788 58.200 -0.137 0.000 0.983 466 S CB -0.261 62.850 63.200 -0.149 0.000 0.803 466 S HN 0.083 nan 8.310 nan 0.000 0.480 467 R N 1.423 121.724 120.500 -0.331 0.000 2.148 467 R HA 0.202 4.541 4.340 -0.001 0.000 0.227 467 R C 1.982 178.227 176.300 -0.091 0.000 1.103 467 R CA 1.234 57.157 56.100 -0.295 0.000 0.983 467 R CB -0.722 29.293 30.300 -0.476 0.000 0.874 467 R HN 0.852 nan 8.270 nan 0.000 0.451 468 I N -3.043 117.537 120.570 0.016 0.000 3.956 468 I HA 0.282 4.451 4.170 -0.001 0.000 0.333 468 I C 1.813 178.082 176.117 0.254 0.000 1.302 468 I CA 0.057 61.517 61.300 0.268 0.000 1.122 468 I CB 0.120 38.304 38.000 0.307 0.000 1.013 468 I HN -0.186 nan 8.210 nan 0.000 0.405 469 R N 2.544 123.105 120.500 0.102 0.000 2.096 469 R HA -0.221 4.119 4.340 -0.001 0.000 0.240 469 R C 2.544 178.888 176.300 0.074 0.000 1.139 469 R CA 2.311 58.479 56.100 0.113 0.000 0.952 469 R CB -0.456 29.881 30.300 0.061 0.000 0.854 469 R HN 0.550 nan 8.270 nan 0.000 0.436 470 R N -0.272 120.171 120.500 -0.095 0.000 2.294 470 R HA -0.200 4.139 4.340 -0.001 0.000 0.250 470 R C 0.943 177.080 176.300 -0.271 0.000 1.181 470 R CA 1.892 57.849 56.100 -0.238 0.000 1.016 470 R CB -0.412 29.640 30.300 -0.414 0.000 0.869 470 R HN 0.384 nan 8.270 nan 0.000 0.476 471 F N 0.314 120.357 119.950 0.155 0.000 2.749 471 F HA 0.237 4.763 4.527 -0.002 0.000 0.300 471 F C 0.637 176.627 175.800 0.317 0.000 1.103 471 F CA -0.487 57.637 58.000 0.207 0.000 1.342 471 F CB 0.391 39.502 39.000 0.185 0.000 1.098 471 F HN -0.047 nan 8.300 nan 0.000 0.586 472 Q N 1.178 121.210 119.800 0.386 0.000 2.267 472 Q HA 0.259 4.598 4.340 -0.001 0.000 0.255 472 Q C 0.243 176.305 176.000 0.105 0.000 0.923 472 Q CA -0.540 55.399 55.803 0.226 0.000 0.925 472 Q CB 1.319 30.196 28.738 0.232 0.000 1.195 472 Q HN 0.174 nan 8.270 nan 0.000 0.417 473 S N 1.919 117.606 115.700 -0.021 0.000 2.645 473 S HA 0.504 4.973 4.470 -0.001 0.000 0.266 473 S C -0.318 174.333 174.600 0.085 0.000 1.258 473 S CA -0.767 57.315 58.200 -0.197 0.000 0.990 473 S CB 0.538 63.577 63.200 -0.269 0.000 0.967 473 S HN 0.410 nan 8.310 nan 0.000 0.556 474 F N 0.165 120.179 119.950 0.106 0.000 2.399 474 F HA 0.628 5.154 4.527 -0.001 0.000 0.328 474 F C 1.027 176.909 175.800 0.136 0.000 1.084 474 F CA -1.304 56.751 58.000 0.093 0.000 1.053 474 F CB 0.726 39.750 39.000 0.041 0.000 1.209 474 F HN 0.759 nan 8.300 nan 0.000 0.502 475 A N 2.087 125.052 122.820 0.242 0.000 2.561 475 A HA 0.223 4.542 4.320 -0.001 0.000 0.234 475 A C -0.244 177.456 177.584 0.194 0.000 1.055 475 A CA 0.047 52.178 52.037 0.157 0.000 0.756 475 A CB -0.026 19.040 19.000 0.111 0.000 0.986 475 A HN 0.885 nan 8.150 nan 0.000 0.505 476 E N 0.291 120.590 120.200 0.166 0.000 2.378 476 E HA 0.604 4.953 4.350 -0.001 0.000 0.265 476 E C -1.214 175.491 176.600 0.175 0.000 0.932 476 E CA -0.667 55.827 56.400 0.156 0.000 0.795 476 E CB 1.900 31.665 29.700 0.109 0.000 1.296 476 E HN 0.602 nan 8.360 nan 0.000 0.438 477 I N 1.158 121.830 120.570 0.169 0.000 2.336 477 I HA 0.319 4.489 4.170 -0.001 0.000 0.292 477 I C -0.135 176.081 176.117 0.164 0.000 0.991 477 I CA -0.189 61.221 61.300 0.183 0.000 1.227 477 I CB 1.651 39.761 38.000 0.184 0.000 1.366 477 I HN 0.208 nan 8.210 nan 0.000 0.466 478 S N 2.819 118.636 115.700 0.195 0.000 2.599 478 S HA 0.368 4.838 4.470 -0.001 0.000 0.294 478 S C 0.420 175.155 174.600 0.224 0.000 1.094 478 S CA -0.422 57.884 58.200 0.178 0.000 0.931 478 S CB 2.011 65.305 63.200 0.157 0.000 1.093 478 S HN 0.657 nan 8.310 nan 0.000 0.488 479 T N 1.766 116.428 114.554 0.180 0.000 3.100 479 T HA 0.222 4.572 4.350 -0.001 0.000 0.253 479 T C 0.002 174.871 174.700 0.281 0.000 1.118 479 T CA 0.405 62.623 62.100 0.197 0.000 1.058 479 T CB -0.378 68.552 68.868 0.103 0.000 0.953 479 T HN 0.746 nan 8.240 nan 0.000 0.515 480 E N 0.515 120.849 120.200 0.224 0.000 2.413 480 E HA 0.478 4.828 4.350 -0.001 0.000 0.277 480 E C -3.265 173.198 176.600 -0.228 0.000 0.958 480 E CA -2.648 53.806 56.400 0.090 0.000 0.779 480 E CB 1.272 31.009 29.700 0.062 0.000 1.278 480 E HN -0.099 nan 8.360 nan 0.000 0.456 481 P HA 0.288 nan 4.420 nan 0.000 0.269 481 P C -0.381 176.736 177.300 -0.304 0.000 1.217 481 P CA 0.240 62.766 63.100 -0.956 0.000 0.783 481 P CB 0.510 31.769 31.700 -0.736 0.000 0.898 482 G N 0.180 108.895 108.800 -0.143 0.000 2.556 482 G HA2 0.442 4.402 3.960 -0.001 0.000 0.294 482 G HA3 0.442 4.402 3.960 -0.001 0.000 0.294 482 G C -3.432 171.539 174.900 0.118 0.000 1.516 482 G CA -0.907 44.199 45.100 0.011 0.000 0.824 482 G HN 0.153 nan 8.290 nan 0.000 0.535 483 P HA 0.171 nan 4.420 nan 0.000 0.269 483 P C -0.678 176.808 177.300 0.310 0.000 1.215 483 P CA -0.109 63.142 63.100 0.253 0.000 0.780 483 P CB 0.479 32.402 31.700 0.371 0.000 0.898 484 H N 3.192 122.420 119.070 0.262 0.000 2.691 484 H HA 0.210 4.766 4.556 -0.001 0.000 0.281 484 H C 0.351 175.842 175.328 0.271 0.000 1.121 484 H CA -0.358 55.858 56.048 0.279 0.000 1.254 484 H CB 0.075 29.975 29.762 0.230 0.000 1.390 484 H HN 0.265 nan 8.280 nan 0.000 0.491 485 F N 2.932 122.830 119.950 -0.086 0.000 2.102 485 F HA -0.071 4.456 4.527 -0.001 0.000 0.298 485 F C 2.614 178.451 175.800 0.061 0.000 1.105 485 F CA 1.720 59.550 58.000 -0.283 0.000 1.239 485 F CB -0.660 37.690 39.000 -1.083 0.000 0.991 485 F HN 0.660 nan 8.300 nan 0.000 0.474 486 G N -0.628 108.522 108.800 0.583 0.000 2.448 486 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.219 486 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.219 486 G C 1.644 176.837 174.900 0.489 0.000 1.127 486 G CA 0.586 46.037 45.100 0.585 0.000 0.766 486 G HN 0.365 nan 8.290 nan 0.000 0.552 487 L N 0.024 121.535 121.223 0.480 0.000 2.567 487 L HA 0.270 4.610 4.340 -0.001 0.000 0.225 487 L C 1.858 178.836 176.870 0.179 0.000 1.119 487 L CA 0.324 55.258 54.840 0.156 0.000 0.871 487 L CB 0.149 42.051 42.059 -0.262 0.000 1.036 487 L HN 0.318 nan 8.230 nan 0.000 0.459 488 G N 1.078 110.020 108.800 0.236 0.000 2.295 488 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.287 488 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.287 488 G C -0.395 174.582 174.900 0.128 0.000 1.055 488 G CA 0.021 45.206 45.100 0.140 0.000 0.922 488 G HN 0.086 nan 8.290 nan 0.000 0.503 489 L N -0.451 120.868 121.223 0.161 0.000 2.354 489 L HA 0.561 4.901 4.340 -0.001 0.000 0.269 489 L C 1.404 178.388 176.870 0.189 0.000 1.005 489 L CA -1.117 53.838 54.840 0.190 0.000 0.819 489 L CB 1.496 43.669 42.059 0.190 0.000 1.311 489 L HN 0.093 nan 8.230 nan 0.000 0.423 490 E N 1.750 122.056 120.200 0.176 0.000 2.058 490 E HA -0.007 4.342 4.350 -0.001 0.000 0.194 490 E C 0.070 176.780 176.600 0.184 0.000 0.997 490 E CA 1.193 57.685 56.400 0.152 0.000 0.801 490 E CB 0.181 29.960 29.700 0.132 0.000 0.746 490 E HN 0.575 nan 8.360 nan 0.000 0.450 491 A N -0.554 122.413 122.820 0.245 0.000 2.594 491 A HA 0.531 4.850 4.320 -0.001 0.000 0.296 491 A C -1.951 175.907 177.584 0.456 0.000 1.061 491 A CA -0.598 51.623 52.037 0.307 0.000 0.689 491 A CB 1.347 20.471 19.000 0.208 0.000 1.280 491 A HN 0.104 nan 8.150 nan 0.000 0.406 492 Y N 0.532 121.056 120.300 0.372 0.000 2.442 492 Y HA 0.651 5.201 4.550 0.000 0.000 0.330 492 Y C -0.649 175.418 175.900 0.279 0.000 1.100 492 Y CA -0.260 58.004 58.100 0.273 0.000 1.034 492 Y CB 1.953 40.517 38.460 0.173 0.000 1.285 492 Y HN 1.500 nan 8.280 nan 0.000 0.440 493 A N 3.542 126.172 122.820 -0.318 0.000 2.402 493 A HA 0.625 4.944 4.320 -0.001 0.000 0.291 493 A C -0.705 176.661 177.584 -0.364 0.000 1.051 493 A CA -0.327 51.473 52.037 -0.395 0.000 0.716 493 A CB 0.729 19.337 19.000 -0.654 0.000 1.223 493 A HN 0.856 nan 8.150 nan 0.000 0.425 494 T N 0.437 114.832 114.554 -0.266 0.000 2.845 494 T HA 0.531 4.881 4.350 -0.001 0.000 0.288 494 T C 0.348 175.106 174.700 0.097 0.000 0.980 494 T CA -0.234 61.791 62.100 -0.126 0.000 1.071 494 T CB 0.638 69.441 68.868 -0.108 0.000 0.941 494 T HN 1.397 nan 8.240 nan 0.000 0.487 495 W N 2.386 123.655 121.300 -0.051 0.000 2.079 495 W HA 0.166 4.826 4.660 -0.000 0.000 0.285 495 W C 0.526 177.140 176.519 0.158 0.000 0.891 495 W CA 0.142 57.526 57.345 0.066 0.000 1.308 495 W CB -0.932 28.560 29.460 0.053 0.000 1.047 495 W HN 0.749 nan 8.180 nan 0.000 0.522 496 T N -1.023 113.238 114.554 -0.488 0.000 3.129 496 T HA 0.194 4.544 4.350 -0.001 0.000 0.251 496 T C 0.526 175.076 174.700 -0.249 0.000 1.117 496 T CA 0.523 62.271 62.100 -0.586 0.000 1.034 496 T CB -0.243 68.312 68.868 -0.522 0.000 0.968 496 T HN -0.022 nan 8.240 nan 0.000 0.526 497 S N 2.396 118.016 115.700 -0.134 0.000 2.526 497 S HA 0.310 4.779 4.470 -0.001 0.000 0.220 497 S C -2.011 172.540 174.600 -0.080 0.000 1.159 497 S CA -0.850 57.308 58.200 -0.070 0.000 1.196 497 S CB 1.284 64.481 63.200 -0.004 0.000 1.225 497 S HN 0.338 nan 8.310 nan 0.000 0.432 498 P HA 0.035 nan 4.420 nan 0.000 0.223 498 P C 1.255 178.468 177.300 -0.145 0.000 1.151 498 P CA 0.624 63.568 63.100 -0.261 0.000 0.787 498 P CB 0.010 31.347 31.700 -0.604 0.000 0.788 499 I N 0.388 120.910 120.570 -0.080 0.000 2.493 499 I HA -0.142 4.028 4.170 -0.001 0.000 0.254 499 I C 2.184 178.301 176.117 0.000 0.000 1.160 499 I CA 1.174 62.453 61.300 -0.035 0.000 1.445 499 I CB -0.269 37.724 38.000 -0.012 0.000 1.086 499 I HN 0.025 nan 8.210 nan 0.000 0.433 500 R N 0.532 121.053 120.500 0.035 0.000 2.596 500 R HA 0.340 4.680 4.340 -0.001 0.000 0.369 500 R C -0.400 175.964 176.300 0.107 0.000 1.042 500 R CA -0.319 55.843 56.100 0.103 0.000 1.120 500 R CB 0.238 30.689 30.300 0.251 0.000 1.353 500 R HN 0.028 nan 8.270 nan 0.000 0.564 501 K N 0.619 121.008 120.400 -0.018 0.000 2.615 501 K HA 0.096 4.416 4.320 -0.001 0.000 0.249 501 K C -1.240 175.240 176.600 -0.201 0.000 0.977 501 K CA -0.795 55.380 56.287 -0.187 0.000 0.833 501 K CB 1.427 33.882 32.500 -0.075 0.000 1.208 501 K HN -0.107 nan 8.250 nan 0.000 0.443 502 Y N 2.346 122.419 120.300 -0.380 0.000 2.384 502 Y HA -0.178 4.371 4.550 -0.001 0.000 0.289 502 Y C 1.721 177.511 175.900 -0.183 0.000 1.152 502 Y CA 2.243 60.201 58.100 -0.238 0.000 1.258 502 Y CB 0.089 38.417 38.460 -0.220 0.000 0.979 502 Y HN 0.907 nan 8.280 nan 0.000 0.549 503 G N -0.335 108.357 108.800 -0.179 0.000 2.404 503 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.215 503 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.215 503 G C 1.223 176.048 174.900 -0.126 0.000 1.174 503 G CA 1.109 46.140 45.100 -0.115 0.000 0.780 503 G HN 0.366 nan 8.290 nan 0.000 0.537 504 D N 0.198 120.531 120.400 -0.111 0.000 2.178 504 D HA -0.035 4.604 4.640 -0.001 0.000 0.201 504 D C 2.557 178.780 176.300 -0.129 0.000 0.980 504 D CA 0.681 54.649 54.000 -0.053 0.000 0.842 504 D CB -0.162 40.606 40.800 -0.054 0.000 0.948 504 D HN 0.287 nan 8.370 nan 0.000 0.472 505 M N -0.257 119.169 119.600 -0.289 0.000 2.099 505 M HA -0.087 4.393 4.480 -0.001 0.000 0.262 505 M C 2.075 178.205 176.300 -0.282 0.000 1.067 505 M CA 1.061 56.157 55.300 -0.341 0.000 1.124 505 M CB -0.184 32.158 32.600 -0.429 0.000 1.353 505 M HN 0.019 nan 8.290 nan 0.000 0.410 506 I N 0.615 120.938 120.570 -0.411 0.000 2.118 506 I HA -0.373 3.797 4.170 -0.001 0.000 0.241 506 I C 1.991 178.053 176.117 -0.092 0.000 1.070 506 I CA 1.271 62.419 61.300 -0.254 0.000 1.327 506 I CB -0.731 37.148 38.000 -0.202 0.000 1.034 506 I HN 0.358 nan 8.210 nan 0.000 0.405 507 N N -0.179 118.491 118.700 -0.049 0.000 2.289 507 N HA -0.180 4.560 4.740 -0.001 0.000 0.184 507 N C 1.727 177.250 175.510 0.022 0.000 1.016 507 N CA 1.115 54.151 53.050 -0.022 0.000 0.872 507 N CB -0.469 38.020 38.487 0.003 0.000 0.973 507 N HN 0.533 nan 8.380 nan 0.000 0.433 508 H N 0.399 119.433 119.070 -0.060 0.000 2.357 508 H HA 0.068 4.623 4.556 -0.001 0.000 0.301 508 H C 1.786 177.062 175.328 -0.087 0.000 1.082 508 H CA 0.858 56.885 56.048 -0.035 0.000 1.342 508 H CB 0.392 30.166 29.762 0.020 0.000 1.389 508 H HN 0.202 nan 8.280 nan 0.000 0.511 509 R N 0.111 120.630 120.500 0.033 0.000 2.092 509 R HA -0.096 4.243 4.340 -0.001 0.000 0.231 509 R C 2.246 178.517 176.300 -0.048 0.000 1.119 509 R CA 0.571 56.664 56.100 -0.012 0.000 0.970 509 R CB -0.150 30.140 30.300 -0.016 0.000 0.864 509 R HN 0.119 nan 8.270 nan 0.000 0.440 510 L N 0.864 122.050 121.223 -0.062 0.000 2.017 510 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 510 L C 2.311 179.064 176.870 -0.195 0.000 1.073 510 L CA 1.587 56.374 54.840 -0.089 0.000 0.745 510 L CB -0.699 41.317 42.059 -0.071 0.000 0.894 510 L HN 0.122 nan 8.230 nan 0.000 0.432 511 L N -1.171 119.874 121.223 -0.296 0.000 2.191 511 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 511 L C 2.487 179.173 176.870 -0.307 0.000 1.103 511 L CA 1.141 55.700 54.840 -0.467 0.000 0.769 511 L CB -0.419 41.177 42.059 -0.771 0.000 0.908 511 L HN 0.251 nan 8.230 nan 0.000 0.438 512 K N -0.228 120.055 120.400 -0.195 0.000 2.031 512 K HA -0.093 4.227 4.320 -0.001 0.000 0.205 512 K C 2.300 178.846 176.600 -0.090 0.000 1.049 512 K CA 1.130 57.346 56.287 -0.117 0.000 0.939 512 K CB -0.248 32.210 32.500 -0.070 0.000 0.717 512 K HN 0.256 nan 8.250 nan 0.000 0.438 513 A N 1.217 123.987 122.820 -0.083 0.000 1.884 513 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 513 A C 2.369 179.904 177.584 -0.082 0.000 1.197 513 A CA 1.950 53.949 52.037 -0.063 0.000 0.637 513 A CB -1.015 17.958 19.000 -0.045 0.000 0.827 513 A HN 0.091 nan 8.150 nan 0.000 0.450 514 V N 0.044 119.880 119.914 -0.130 0.000 2.252 514 V HA -0.329 3.791 4.120 -0.001 0.000 0.249 514 V C 2.450 178.489 176.094 -0.091 0.000 1.056 514 V CA 2.310 64.528 62.300 -0.137 0.000 1.022 514 V CB -0.740 30.953 31.823 -0.217 0.000 0.641 514 V HN 0.602 nan 8.190 nan 0.000 0.445 515 I N -0.578 119.939 120.570 -0.089 0.000 2.185 515 I HA -0.319 3.851 4.170 -0.001 0.000 0.246 515 I C 2.378 178.484 176.117 -0.018 0.000 1.088 515 I CA 1.821 63.105 61.300 -0.028 0.000 1.347 515 I CB -0.358 37.636 38.000 -0.011 0.000 1.041 515 I HN 0.241 nan 8.210 nan 0.000 0.415 516 K N 0.520 120.901 120.400 -0.030 0.000 2.487 516 K HA 0.105 4.425 4.320 -0.001 0.000 0.192 516 K C 0.936 177.523 176.600 -0.022 0.000 1.027 516 K CA 0.583 56.857 56.287 -0.021 0.000 1.054 516 K CB 0.155 32.642 32.500 -0.022 0.000 0.824 516 K HN 0.463 nan 8.250 nan 0.000 0.510 517 G N 2.486 111.268 108.800 -0.030 0.000 2.314 517 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.292 517 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.292 517 G C -0.393 174.493 174.900 -0.024 0.000 1.059 517 G CA 0.417 45.500 45.100 -0.028 0.000 0.982 517 G HN 0.413 nan 8.290 nan 0.000 0.505 518 E N -0.850 119.334 120.200 -0.027 0.000 2.249 518 E HA 0.661 5.010 4.350 -0.001 0.000 0.263 518 E C 0.436 177.031 176.600 -0.010 0.000 0.950 518 E CA -0.408 55.983 56.400 -0.016 0.000 0.827 518 E CB 1.273 30.964 29.700 -0.015 0.000 1.220 518 E HN 0.152 nan 8.360 nan 0.000 0.411 519 T N 0.533 115.092 114.554 0.008 0.000 2.869 519 T HA 0.591 4.941 4.350 -0.001 0.000 0.295 519 T C -0.870 173.864 174.700 0.056 0.000 0.987 519 T CA -0.314 61.805 62.100 0.031 0.000 1.109 519 T CB 0.491 69.379 68.868 0.033 0.000 0.932 519 T HN 0.427 nan 8.240 nan 0.000 0.518 520 A N 3.859 126.749 122.820 0.116 0.000 2.401 520 A HA 0.712 5.031 4.320 -0.001 0.000 0.310 520 A C 0.179 177.928 177.584 0.274 0.000 1.075 520 A CA -0.885 51.261 52.037 0.181 0.000 0.746 520 A CB 1.321 20.443 19.000 0.202 0.000 1.277 520 A HN 0.845 nan 8.150 nan 0.000 0.425 521 T N 1.071 115.707 114.554 0.137 0.000 2.817 521 T HA 0.437 4.786 4.350 -0.001 0.000 0.293 521 T C 0.389 174.946 174.700 -0.238 0.000 0.964 521 T CA -0.450 61.639 62.100 -0.017 0.000 1.085 521 T CB 0.586 69.436 68.868 -0.029 0.000 0.921 521 T HN 0.760 nan 8.240 nan 0.000 0.502 522 R N 3.531 123.587 120.500 -0.741 0.000 2.585 522 R HA 0.170 4.510 4.340 -0.001 0.000 0.275 522 R C -2.554 173.469 176.300 -0.461 0.000 1.018 522 R CA -0.851 54.492 56.100 -1.262 0.000 1.072 522 R CB -0.407 29.199 30.300 -1.155 0.000 0.953 522 R HN 0.302 nan 8.270 nan 0.000 0.419 523 P HA 0.024 nan 4.420 nan 0.000 0.271 523 P C -1.255 175.993 177.300 -0.086 0.000 1.216 523 P CA -0.234 62.811 63.100 -0.093 0.000 0.776 523 P CB 0.750 32.450 31.700 -0.001 0.000 0.881 524 Q N 1.991 121.766 119.800 -0.041 0.000 2.296 524 Q HA 0.059 4.398 4.340 -0.001 0.000 0.262 524 Q C 0.132 176.131 176.000 -0.001 0.000 0.981 524 Q CA 0.247 56.033 55.803 -0.029 0.000 0.905 524 Q CB 0.036 28.765 28.738 -0.015 0.000 1.186 524 Q HN 0.375 nan 8.270 nan 0.000 0.399 525 D N 3.699 124.099 120.400 0.001 0.000 2.941 525 D HA -0.071 4.569 4.640 -0.001 0.000 0.236 525 D C -0.294 176.023 176.300 0.029 0.000 1.147 525 D CA 0.289 54.304 54.000 0.025 0.000 0.975 525 D CB 0.202 41.018 40.800 0.027 0.000 1.162 525 D HN 0.618 nan 8.370 nan 0.000 0.444 526 E N -0.180 120.038 120.200 0.029 0.000 2.505 526 E HA 0.001 4.350 4.350 -0.001 0.000 0.212 526 E C 2.039 178.661 176.600 0.036 0.000 0.825 526 E CA -0.351 56.066 56.400 0.029 0.000 1.333 526 E CB 0.297 30.007 29.700 0.017 0.000 1.319 526 E HN 0.164 nan 8.360 nan 0.000 0.658 527 I N 1.498 122.093 120.570 0.042 0.000 2.493 527 I HA -0.129 4.040 4.170 -0.001 0.000 0.254 527 I C 2.136 178.297 176.117 0.073 0.000 1.160 527 I CA 1.981 63.312 61.300 0.053 0.000 1.445 527 I CB -1.551 36.498 38.000 0.080 0.000 1.086 527 I HN 0.091 nan 8.210 nan 0.000 0.433 528 T N -0.211 114.391 114.554 0.081 0.000 2.833 528 T HA -0.070 4.279 4.350 -0.001 0.000 0.269 528 T C 2.000 176.761 174.700 0.101 0.000 1.054 528 T CA 1.577 63.738 62.100 0.102 0.000 1.135 528 T CB -1.173 67.758 68.868 0.104 0.000 0.869 528 T HN 0.217 nan 8.240 nan 0.000 0.466 529 V N 1.699 121.660 119.914 0.077 0.000 2.358 529 V HA -0.129 3.991 4.120 -0.001 0.000 0.246 529 V C 2.946 179.084 176.094 0.074 0.000 1.047 529 V CA 2.088 64.432 62.300 0.072 0.000 1.035 529 V CB -0.823 31.032 31.823 0.054 0.000 0.658 529 V HN 0.478 nan 8.190 nan 0.000 0.452 530 Q N -0.092 119.745 119.800 0.061 0.000 2.084 530 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 530 Q C 2.074 178.134 176.000 0.100 0.000 0.978 530 Q CA 2.112 57.948 55.803 0.054 0.000 0.844 530 Q CB -0.378 28.366 28.738 0.010 0.000 0.898 530 Q HN 0.595 nan 8.270 nan 0.000 0.426 531 M N -0.625 119.050 119.600 0.125 0.000 2.067 531 M HA -0.147 4.332 4.480 -0.001 0.000 0.260 531 M C 2.201 178.703 176.300 0.337 0.000 1.069 531 M CA 1.732 57.173 55.300 0.234 0.000 1.117 531 M CB -0.515 32.200 32.600 0.192 0.000 1.334 531 M HN 0.333 nan 8.290 nan 0.000 0.407 532 A N -0.306 122.645 122.820 0.217 0.000 1.933 532 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 532 A C 2.106 179.760 177.584 0.117 0.000 1.175 532 A CA 1.564 53.701 52.037 0.166 0.000 0.628 532 A CB -0.622 18.461 19.000 0.137 0.000 0.814 532 A HN 0.409 nan 8.150 nan 0.000 0.444 533 E N -0.075 120.192 120.200 0.111 0.000 2.051 533 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 533 E C 2.275 178.916 176.600 0.068 0.000 0.991 533 E CA 0.879 57.325 56.400 0.077 0.000 0.799 533 E CB -0.231 29.512 29.700 0.071 0.000 0.748 533 E HN 0.359 nan 8.360 nan 0.000 0.449 534 R N 0.342 120.917 120.500 0.126 0.000 2.075 534 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 534 R C 2.448 178.764 176.300 0.026 0.000 1.126 534 R CA 1.248 57.430 56.100 0.136 0.000 0.963 534 R CB -0.789 29.673 30.300 0.270 0.000 0.858 534 R HN 0.177 nan 8.270 nan 0.000 0.435 535 R N 0.892 121.366 120.500 -0.044 0.000 2.096 535 R HA -0.136 4.203 4.340 -0.001 0.000 0.240 535 R C 2.349 178.499 176.300 -0.251 0.000 1.139 535 R CA 1.874 57.718 56.100 -0.427 0.000 0.952 535 R CB -0.265 29.767 30.300 -0.448 0.000 0.854 535 R HN 0.082 nan 8.270 nan 0.000 0.436 536 R N 0.414 120.833 120.500 -0.135 0.000 2.080 536 R HA -0.150 4.190 4.340 -0.001 0.000 0.236 536 R C 2.337 178.540 176.300 -0.162 0.000 1.137 536 R CA 2.102 58.125 56.100 -0.129 0.000 0.943 536 R CB -0.437 29.827 30.300 -0.061 0.000 0.846 536 R HN 0.333 nan 8.270 nan 0.000 0.431 537 L N 0.497 121.639 121.223 -0.136 0.000 2.042 537 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 537 L C 2.228 178.944 176.870 -0.256 0.000 1.076 537 L CA 1.686 56.403 54.840 -0.205 0.000 0.749 537 L CB -0.659 41.347 42.059 -0.090 0.000 0.893 537 L HN 0.415 nan 8.230 nan 0.000 0.432 538 N N -0.254 118.341 118.700 -0.174 0.000 2.084 538 N HA -0.230 4.510 4.740 -0.001 0.000 0.190 538 N C 1.991 177.395 175.510 -0.175 0.000 1.030 538 N CA 1.009 53.966 53.050 -0.155 0.000 0.849 538 N CB -0.054 38.345 38.487 -0.147 0.000 1.012 538 N HN 0.223 nan 8.380 nan 0.000 0.423 539 R N 1.053 121.436 120.500 -0.195 0.000 2.083 539 R HA -0.079 4.261 4.340 -0.001 0.000 0.237 539 R C 2.290 178.490 176.300 -0.168 0.000 1.137 539 R CA 1.399 57.397 56.100 -0.170 0.000 0.951 539 R CB -0.055 30.136 30.300 -0.182 0.000 0.851 539 R HN 0.216 nan 8.270 nan 0.000 0.434 540 M N -0.482 118.980 119.600 -0.229 0.000 2.117 540 M HA -0.140 4.340 4.480 -0.001 0.000 0.262 540 M C 2.419 178.581 176.300 -0.230 0.000 1.065 540 M CA 1.831 56.979 55.300 -0.252 0.000 1.114 540 M CB -0.241 32.115 32.600 -0.407 0.000 1.361 540 M HN 0.351 nan 8.290 nan 0.000 0.408 541 A N -0.172 122.467 122.820 -0.302 0.000 1.898 541 A HA -0.206 4.114 4.320 -0.001 0.000 0.216 541 A C 1.929 179.443 177.584 -0.116 0.000 1.181 541 A CA 1.923 53.891 52.037 -0.115 0.000 0.620 541 A CB -0.713 18.241 19.000 -0.075 0.000 0.819 541 A HN 0.546 nan 8.150 nan 0.000 0.442 542 E N -0.339 119.782 120.200 -0.131 0.000 2.017 542 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 542 E C 2.277 178.800 176.600 -0.128 0.000 0.997 542 E CA 1.450 57.770 56.400 -0.134 0.000 0.804 542 E CB -0.171 29.480 29.700 -0.082 0.000 0.757 542 E HN 0.570 nan 8.360 nan 0.000 0.448 543 R N 0.448 120.901 120.500 -0.077 0.000 2.103 543 R HA -0.199 4.140 4.340 -0.001 0.000 0.242 543 R C 1.739 178.017 176.300 -0.037 0.000 1.142 543 R CA 2.247 58.328 56.100 -0.031 0.000 0.960 543 R CB -0.190 30.096 30.300 -0.022 0.000 0.858 543 R HN 0.199 nan 8.270 nan 0.000 0.439 544 D N -0.218 120.159 120.400 -0.038 0.000 2.084 544 D HA -0.129 4.511 4.640 -0.001 0.000 0.194 544 D C 1.993 178.254 176.300 -0.066 0.000 0.990 544 D CA 1.571 55.568 54.000 -0.005 0.000 0.826 544 D CB -0.300 40.556 40.800 0.092 0.000 0.971 544 D HN 0.122 nan 8.370 nan 0.000 0.453 545 V N 1.092 120.871 119.914 -0.224 0.000 2.332 545 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 545 V C 2.546 178.321 176.094 -0.532 0.000 1.055 545 V CA 2.042 64.040 62.300 -0.503 0.000 1.038 545 V CB -1.167 30.159 31.823 -0.828 0.000 0.651 545 V HN 0.244 nan 8.190 nan 0.000 0.450 546 G N -0.005 108.518 108.800 -0.462 0.000 2.491 546 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.218 546 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.218 546 G C 1.256 176.107 174.900 -0.081 0.000 1.180 546 G CA 1.228 46.064 45.100 -0.441 0.000 0.774 546 G HN 0.504 nan 8.290 nan 0.000 0.562 547 D N -0.558 119.896 120.400 0.091 0.000 2.123 547 D HA -0.120 4.520 4.640 -0.001 0.000 0.196 547 D C 1.946 178.330 176.300 0.140 0.000 0.992 547 D CA 0.677 54.789 54.000 0.186 0.000 0.833 547 D CB -0.322 40.516 40.800 0.063 0.000 0.954 547 D HN 0.427 nan 8.370 nan 0.000 0.455 548 W N 1.506 122.710 121.300 -0.159 0.000 2.363 548 W HA -0.056 4.603 4.660 -0.001 0.000 0.296 548 W C 1.999 178.408 176.519 -0.184 0.000 1.212 548 W CA 0.690 57.917 57.345 -0.196 0.000 1.260 548 W CB -0.473 28.793 29.460 -0.323 0.000 1.131 548 W HN 0.011 nan 8.180 nan 0.000 0.530 549 L N -1.247 119.970 121.223 -0.010 0.000 2.131 549 L HA -0.231 4.109 4.340 -0.001 0.000 0.206 549 L C 2.340 179.310 176.870 0.167 0.000 1.087 549 L CA 0.911 55.717 54.840 -0.056 0.000 0.767 549 L CB -1.269 40.559 42.059 -0.385 0.000 0.917 549 L HN -0.158 nan 8.230 nan 0.000 0.441 550 Y N 0.620 121.047 120.300 0.212 0.000 2.165 550 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 550 Y C 2.695 178.691 175.900 0.161 0.000 1.155 550 Y CA 1.140 59.362 58.100 0.204 0.000 1.164 550 Y CB -0.889 37.631 38.460 0.101 0.000 0.978 550 Y HN 0.134 nan 8.280 nan 0.000 0.513 551 A N 0.970 123.944 122.820 0.257 0.000 1.841 551 A HA -0.275 4.044 4.320 -0.001 0.000 0.216 551 A C 2.332 180.007 177.584 0.151 0.000 1.199 551 A CA 2.489 54.607 52.037 0.134 0.000 0.621 551 A CB -0.832 18.193 19.000 0.042 0.000 0.835 551 A HN 0.572 nan 8.150 nan 0.000 0.445 552 R N -1.961 118.655 120.500 0.194 0.000 2.148 552 R HA -0.061 4.278 4.340 -0.001 0.000 0.227 552 R C 1.925 178.345 176.300 0.200 0.000 1.103 552 R CA 1.577 57.783 56.100 0.178 0.000 0.983 552 R CB -0.726 29.684 30.300 0.184 0.000 0.874 552 R HN 0.440 nan 8.270 nan 0.000 0.451 553 F N 1.825 121.832 119.950 0.095 0.000 2.186 553 F HA 0.062 4.588 4.527 -0.002 0.000 0.299 553 F C 1.576 177.424 175.800 0.080 0.000 1.090 553 F CA 1.125 59.179 58.000 0.091 0.000 1.307 553 F CB 0.071 39.136 39.000 0.108 0.000 1.019 553 F HN -0.075 nan 8.300 nan 0.000 0.489 554 L N -0.029 121.184 121.223 -0.016 0.000 2.592 554 L HA 0.026 4.366 4.340 -0.001 0.000 0.227 554 L C 2.210 179.024 176.870 -0.094 0.000 1.127 554 L CA 0.169 54.911 54.840 -0.163 0.000 0.884 554 L CB -0.489 41.513 42.059 -0.095 0.000 1.065 554 L HN 0.081 nan 8.230 nan 0.000 0.457 555 K N 1.181 121.560 120.400 -0.035 0.000 2.044 555 K HA -0.231 4.089 4.320 -0.001 0.000 0.210 555 K C 1.366 177.953 176.600 -0.021 0.000 1.049 555 K CA 2.041 58.323 56.287 -0.009 0.000 0.927 555 K CB 0.017 32.532 32.500 0.025 0.000 0.713 555 K HN 0.392 nan 8.250 nan 0.000 0.443 556 D N -0.365 120.010 120.400 -0.042 0.000 2.328 556 D HA -0.068 4.571 4.640 -0.001 0.000 0.226 556 D C 0.591 176.872 176.300 -0.031 0.000 1.066 556 D CA 0.328 54.310 54.000 -0.030 0.000 0.861 556 D CB 0.288 41.071 40.800 -0.028 0.000 0.912 556 D HN 0.092 nan 8.370 nan 0.000 0.521 557 K N 0.371 120.749 120.400 -0.037 0.000 2.353 557 K HA 0.259 4.579 4.320 -0.001 0.000 0.195 557 K C 0.713 177.330 176.600 0.028 0.000 1.031 557 K CA -0.169 56.123 56.287 0.009 0.000 1.079 557 K CB 0.636 33.166 32.500 0.050 0.000 0.857 557 K HN 0.163 nan 8.250 nan 0.000 0.535 558 A N 0.857 123.682 122.820 0.008 0.000 2.492 558 A HA 0.445 4.765 4.320 -0.001 0.000 0.254 558 A C 1.293 178.890 177.584 0.022 0.000 1.091 558 A CA 0.921 52.968 52.037 0.017 0.000 0.768 558 A CB -0.359 18.648 19.000 0.011 0.000 1.028 558 A HN 0.503 nan 8.150 nan 0.000 0.498 559 G N 2.359 111.176 108.800 0.028 0.000 2.284 559 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.247 559 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.247 559 G C 0.592 175.503 174.900 0.017 0.000 1.012 559 G CA 0.618 45.730 45.100 0.019 0.000 0.618 559 G HN 1.378 nan 8.290 nan 0.000 0.521 560 T N 1.328 115.897 114.554 0.025 0.000 2.766 560 T HA 0.447 4.797 4.350 -0.001 0.000 0.295 560 T C 0.705 175.423 174.700 0.029 0.000 1.024 560 T CA 0.607 62.721 62.100 0.022 0.000 1.018 560 T CB 1.036 69.918 68.868 0.023 0.000 1.002 560 T HN 0.389 nan 8.240 nan 0.000 0.532 561 D N -1.213 119.196 120.400 0.013 0.000 2.463 561 D HA 0.121 4.761 4.640 -0.001 0.000 0.224 561 D C 0.051 176.346 176.300 -0.008 0.000 1.174 561 D CA -0.459 53.546 54.000 0.009 0.000 0.829 561 D CB -0.737 40.060 40.800 -0.004 0.000 0.993 561 D HN 0.373 nan 8.370 nan 0.000 0.497 562 T N 0.836 115.383 114.554 -0.012 0.000 2.928 562 T HA 0.160 4.509 4.350 -0.001 0.000 0.305 562 T C 0.559 175.184 174.700 -0.125 0.000 1.035 562 T CA -0.192 61.848 62.100 -0.099 0.000 1.145 562 T CB 1.020 69.814 68.868 -0.123 0.000 0.963 562 T HN 0.067 nan 8.240 nan 0.000 0.545 563 R N 1.289 121.639 120.500 -0.250 0.000 2.474 563 R HA 0.575 4.915 4.340 -0.001 0.000 0.295 563 R C -1.050 175.007 176.300 -0.405 0.000 0.980 563 R CA -0.555 55.443 56.100 -0.170 0.000 0.934 563 R CB 1.051 31.298 30.300 -0.089 0.000 1.101 563 R HN 0.491 nan 8.270 nan 0.000 0.469 564 F N 0.564 120.512 119.950 -0.003 0.000 2.529 564 F HA 0.426 4.953 4.527 -0.001 0.000 0.320 564 F C 0.264 176.063 175.800 -0.002 0.000 1.118 564 F CA -0.933 57.066 58.000 -0.001 0.000 0.915 564 F CB 1.948 40.942 39.000 -0.010 0.000 1.161 564 F HN 0.530 nan 8.300 nan 0.000 0.445 565 A N 2.419 125.331 122.820 0.154 0.000 2.450 565 A HA 0.731 5.051 4.320 -0.001 0.000 0.255 565 A C -0.347 177.299 177.584 0.104 0.000 1.096 565 A CA 0.042 52.140 52.037 0.102 0.000 0.778 565 A CB -0.123 18.920 19.000 0.072 0.000 1.031 565 A HN 0.967 nan 8.150 nan 0.000 0.494 566 A N 2.395 125.254 122.820 0.065 0.000 2.422 566 A HA 0.649 4.968 4.320 -0.001 0.000 0.302 566 A C -0.473 177.123 177.584 0.019 0.000 1.041 566 A CA -0.525 51.530 52.037 0.029 0.000 0.708 566 A CB 0.979 19.979 19.000 -0.000 0.000 1.257 566 A HN 0.883 nan 8.150 nan 0.000 0.414 567 E N 2.557 122.766 120.200 0.016 0.000 2.174 567 E HA 0.433 4.782 4.350 -0.001 0.000 0.282 567 E C -0.513 176.090 176.600 0.005 0.000 0.992 567 E CA -0.574 55.841 56.400 0.024 0.000 0.803 567 E CB 0.908 30.632 29.700 0.041 0.000 1.090 567 E HN 0.711 nan 8.360 nan 0.000 0.396 568 I N 4.914 125.488 120.570 0.007 0.000 2.533 568 I HA 0.038 4.207 4.170 -0.001 0.000 0.284 568 I C -0.249 175.883 176.117 0.026 0.000 1.109 568 I CA -0.050 61.247 61.300 -0.005 0.000 1.412 568 I CB 1.175 39.161 38.000 -0.024 0.000 1.396 568 I HN 0.525 nan 8.210 nan 0.000 0.543 569 V N 5.923 125.846 119.914 0.014 0.000 3.612 569 V HA 0.300 4.420 4.120 -0.001 0.000 0.268 569 V C -0.459 175.651 176.094 0.025 0.000 1.365 569 V CA 0.668 62.982 62.300 0.023 0.000 1.044 569 V CB 0.111 31.939 31.823 0.009 0.000 0.820 569 V HN 0.968 nan 8.190 nan 0.000 0.444 570 D N -0.970 119.446 120.400 0.026 0.000 2.745 570 D HA 0.347 4.987 4.640 -0.001 0.000 0.221 570 D C -1.420 174.905 176.300 0.042 0.000 1.237 570 D CA -0.206 53.813 54.000 0.031 0.000 0.781 570 D CB 1.449 42.263 40.800 0.023 0.000 1.575 570 D HN 0.078 nan 8.370 nan 0.000 0.482 571 I N 2.569 123.169 120.570 0.049 0.000 2.447 571 I HA 0.437 4.607 4.170 -0.001 0.000 0.287 571 I C 0.094 176.246 176.117 0.059 0.000 1.023 571 I CA -0.450 60.886 61.300 0.060 0.000 1.083 571 I CB 1.752 39.795 38.000 0.072 0.000 1.245 571 I HN 0.432 nan 8.210 nan 0.000 0.434 572 S N 5.167 120.914 115.700 0.078 0.000 2.739 572 S HA 0.493 4.963 4.470 -0.001 0.000 0.306 572 S C 0.931 175.575 174.600 0.072 0.000 1.115 572 S CA -0.949 57.291 58.200 0.066 0.000 0.985 572 S CB 1.559 64.796 63.200 0.062 0.000 1.133 572 S HN 0.766 nan 8.310 nan 0.000 0.541 573 R N -0.334 120.198 120.500 0.054 0.000 2.189 573 R HA 0.100 4.440 4.340 -0.001 0.000 0.223 573 R C 1.653 177.999 176.300 0.075 0.000 1.092 573 R CA 1.257 57.388 56.100 0.052 0.000 0.989 573 R CB -1.111 29.206 30.300 0.030 0.000 0.876 573 R HN 0.694 nan 8.270 nan 0.000 0.457 574 G N 0.027 108.892 108.800 0.107 0.000 2.572 574 G HA2 0.322 4.281 3.960 -0.001 0.000 0.216 574 G HA3 0.322 4.281 3.960 -0.001 0.000 0.216 574 G C 0.567 175.628 174.900 0.267 0.000 1.133 574 G CA 0.386 45.598 45.100 0.186 0.000 0.791 574 G HN 0.723 nan 8.290 nan 0.000 0.538 575 G N -0.820 108.088 108.800 0.179 0.000 2.240 575 G HA2 0.172 4.131 3.960 -0.001 0.000 0.199 575 G HA3 0.172 4.131 3.960 -0.001 0.000 0.199 575 G C -0.833 174.081 174.900 0.023 0.000 1.342 575 G CA -0.496 44.604 45.100 0.001 0.000 1.145 575 G HN 0.264 nan 8.290 nan 0.000 0.477 576 M N 0.020 119.522 119.600 -0.164 0.000 2.602 576 M HA 0.681 5.161 4.480 -0.001 0.000 0.312 576 M C -0.205 176.079 176.300 -0.025 0.000 1.181 576 M CA -0.651 54.602 55.300 -0.079 0.000 0.910 576 M CB 2.777 35.280 32.600 -0.162 0.000 1.723 576 M HN 0.432 nan 8.290 nan 0.000 0.459 577 R N 0.987 121.509 120.500 0.038 0.000 2.445 577 R HA 0.740 5.079 4.340 -0.001 0.000 0.308 577 R C -1.087 175.195 176.300 -0.029 0.000 0.961 577 R CA -0.699 55.423 56.100 0.038 0.000 0.862 577 R CB 1.959 32.297 30.300 0.062 0.000 1.144 577 R HN 0.618 nan 8.270 nan 0.000 0.447 578 V N -0.288 119.591 119.914 -0.059 0.000 2.823 578 V HA 0.627 4.746 4.120 -0.001 0.000 0.312 578 V C -0.553 175.486 176.094 -0.091 0.000 1.072 578 V CA -1.151 61.105 62.300 -0.072 0.000 0.937 578 V CB 2.003 33.772 31.823 -0.091 0.000 1.013 578 V HN 0.731 nan 8.190 nan 0.000 0.430 579 R N 3.194 123.647 120.500 -0.078 0.000 2.295 579 R HA 0.609 4.949 4.340 -0.001 0.000 0.324 579 R C -0.899 175.339 176.300 -0.103 0.000 0.968 579 R CA -0.772 55.259 56.100 -0.115 0.000 0.837 579 R CB 1.208 31.467 30.300 -0.068 0.000 1.133 579 R HN 0.907 nan 8.270 nan 0.000 0.450 580 L N 6.647 127.767 121.223 -0.172 0.000 2.456 580 L HA 0.051 4.391 4.340 -0.001 0.000 0.277 580 L C 2.061 178.908 176.870 -0.038 0.000 1.124 580 L CA -0.480 54.303 54.840 -0.095 0.000 0.880 580 L CB 0.973 42.922 42.059 -0.184 0.000 1.192 580 L HN 0.675 nan 8.230 nan 0.000 0.463 581 V N 0.692 120.641 119.914 0.059 0.000 2.324 581 V HA -0.275 3.845 4.120 -0.001 0.000 0.250 581 V C 1.321 177.529 176.094 0.190 0.000 1.060 581 V CA 2.197 64.569 62.300 0.120 0.000 1.042 581 V CB -0.721 31.170 31.823 0.114 0.000 0.650 581 V HN 0.968 nan 8.190 nan 0.000 0.450 582 D N 0.322 120.827 120.400 0.176 0.000 2.342 582 D HA 0.066 4.706 4.640 -0.001 0.000 0.221 582 D C 1.059 177.481 176.300 0.202 0.000 1.101 582 D CA 0.623 54.751 54.000 0.212 0.000 0.837 582 D CB -0.432 40.463 40.800 0.159 0.000 0.938 582 D HN 0.736 nan 8.370 nan 0.000 0.508 583 N N -1.178 117.562 118.700 0.067 0.000 2.218 583 N HA 0.125 4.864 4.740 -0.001 0.000 0.224 583 N C 1.501 176.613 175.510 -0.663 0.000 1.248 583 N CA 0.232 53.230 53.050 -0.087 0.000 0.875 583 N CB 0.292 38.831 38.487 0.086 0.000 1.165 583 N HN 0.096 nan 8.380 nan 0.000 0.485 584 G N -0.242 108.071 108.800 -0.812 0.000 2.136 584 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.242 584 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.242 584 G C 0.282 174.589 174.900 -0.988 0.000 0.989 584 G CA 0.130 44.530 45.100 -1.167 0.000 0.682 584 G HN 0.808 nan 8.290 nan 0.000 0.522 585 A N -0.058 122.099 122.820 -1.104 0.000 2.366 585 A HA 0.675 4.995 4.320 -0.001 0.000 0.249 585 A C 0.522 177.719 177.584 -0.644 0.000 1.084 585 A CA 0.065 51.295 52.037 -1.345 0.000 0.794 585 A CB 0.390 18.841 19.000 -0.916 0.000 1.034 585 A HN 0.645 nan 8.150 nan 0.000 0.491 586 I N 0.871 121.154 120.570 -0.478 0.000 2.354 586 I HA 0.531 4.701 4.170 -0.001 0.000 0.292 586 I C 0.476 176.484 176.117 -0.182 0.000 0.989 586 I CA -0.005 61.147 61.300 -0.248 0.000 1.188 586 I CB 0.778 38.683 38.000 -0.158 0.000 1.342 586 I HN 0.707 nan 8.210 nan 0.000 0.457 587 A N 6.478 129.216 122.820 -0.138 0.000 2.365 587 A HA 0.707 5.027 4.320 -0.001 0.000 0.318 587 A C -1.246 176.331 177.584 -0.013 0.000 1.091 587 A CA -0.504 51.478 52.037 -0.092 0.000 0.763 587 A CB 1.493 20.409 19.000 -0.139 0.000 1.248 587 A HN 0.493 nan 8.150 nan 0.000 0.442 588 F N 2.564 122.422 119.950 -0.153 0.000 2.408 588 F HA 0.681 5.208 4.527 -0.000 0.000 0.344 588 F C -0.553 175.127 175.800 -0.200 0.000 1.112 588 F CA -1.119 56.784 58.000 -0.162 0.000 1.096 588 F CB 0.792 39.696 39.000 -0.160 0.000 1.129 588 F HN 0.399 nan 8.300 nan 0.000 0.486 589 I N 8.486 128.501 120.570 -0.925 0.000 2.328 589 I HA 0.308 4.478 4.170 -0.001 0.000 0.287 589 I C -2.333 172.945 176.117 -1.399 0.000 1.012 589 I CA -2.163 58.583 61.300 -0.924 0.000 1.195 589 I CB 1.245 38.965 38.000 -0.466 0.000 1.350 589 I HN 0.434 nan 8.210 nan 0.000 0.464 590 P HA 0.084 nan 4.420 nan 0.000 0.271 590 P C 0.579 177.616 177.300 -0.439 0.000 1.218 590 P CA -0.116 62.408 63.100 -0.959 0.000 0.780 590 P CB 1.045 32.262 31.700 -0.804 0.000 0.901 591 A N 5.391 128.109 122.820 -0.169 0.000 1.903 591 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 591 A C -0.482 177.155 177.584 0.088 0.000 1.191 591 A CA 2.104 54.134 52.037 -0.013 0.000 0.638 591 A CB -2.577 16.449 19.000 0.044 0.000 0.823 591 A HN 0.490 nan 8.150 nan 0.000 0.451 592 P HA -0.110 nan 4.420 nan 0.000 0.219 592 P C 0.836 178.309 177.300 0.288 0.000 1.146 592 P CA 0.741 63.966 63.100 0.208 0.000 0.808 592 P CB -0.191 31.642 31.700 0.221 0.000 0.779 593 F N -1.507 118.428 119.950 -0.026 0.000 2.494 593 F HA -0.086 4.440 4.527 -0.002 0.000 0.298 593 F C 1.818 177.620 175.800 0.003 0.000 1.106 593 F CA 0.766 58.745 58.000 -0.035 0.000 1.452 593 F CB -1.042 37.903 39.000 -0.092 0.000 1.085 593 F HN -0.103 nan 8.300 nan 0.000 0.569 594 L N -2.348 119.012 121.223 0.227 0.000 2.408 594 L HA 0.010 4.350 4.340 -0.001 0.000 0.215 594 L C 1.773 178.803 176.870 0.266 0.000 1.081 594 L CA 1.435 56.415 54.840 0.234 0.000 0.840 594 L CB -0.628 41.562 42.059 0.219 0.000 1.002 594 L HN 0.141 nan 8.230 nan 0.000 0.468 595 H N -2.524 116.603 119.070 0.096 0.000 2.192 595 H HA 0.481 5.037 4.556 -0.001 0.000 0.176 595 H C 1.343 176.698 175.328 0.046 0.000 0.901 595 H CA 0.738 56.823 56.048 0.062 0.000 0.923 595 H CB 0.641 30.436 29.762 0.054 0.000 1.057 595 H HN -0.080 nan 8.280 nan 0.000 0.394 596 A N -0.440 122.418 122.820 0.064 0.000 3.882 596 A HA -0.205 4.115 4.320 -0.001 0.000 0.242 596 A C 0.095 177.697 177.584 0.030 0.000 0.824 596 A CA 1.076 53.118 52.037 0.007 0.000 1.520 596 A CB -2.196 16.762 19.000 -0.070 0.000 0.993 596 A HN 0.239 nan 8.150 nan 0.000 0.728 597 V N 1.741 121.698 119.914 0.072 0.000 2.320 597 V HA 0.360 4.479 4.120 -0.001 0.000 0.265 597 V C 1.473 177.723 176.094 0.259 0.000 1.048 597 V CA 0.206 62.616 62.300 0.184 0.000 0.865 597 V CB 0.933 32.869 31.823 0.188 0.000 1.043 597 V HN 0.498 nan 8.190 nan 0.000 0.474 598 R N 1.940 122.525 120.500 0.142 0.000 2.120 598 R HA -0.110 4.230 4.340 -0.001 0.000 0.234 598 R C 1.760 178.106 176.300 0.076 0.000 1.123 598 R CA 1.110 57.273 56.100 0.105 0.000 0.975 598 R CB -0.345 30.003 30.300 0.080 0.000 0.866 598 R HN 0.684 nan 8.270 nan 0.000 0.446 599 D N 0.607 121.052 120.400 0.074 0.000 2.117 599 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 599 D C 0.651 176.962 176.300 0.018 0.000 0.987 599 D CA 1.104 55.131 54.000 0.044 0.000 0.829 599 D CB 0.119 40.946 40.800 0.046 0.000 0.961 599 D HN 0.314 nan 8.370 nan 0.000 0.460 600 E N -0.667 119.538 120.200 0.009 0.000 2.437 600 E HA 0.100 4.450 4.350 -0.001 0.000 0.189 600 E C -0.078 176.406 176.600 -0.193 0.000 1.054 600 E CA -0.183 56.160 56.400 -0.095 0.000 0.874 600 E CB 0.787 30.413 29.700 -0.124 0.000 1.011 600 E HN 0.104 nan 8.360 nan 0.000 0.474 601 L N 1.621 122.786 121.223 -0.098 0.000 2.372 601 L HA 0.416 4.755 4.340 -0.001 0.000 0.274 601 L C -1.349 175.512 176.870 -0.016 0.000 0.988 601 L CA -0.701 54.089 54.840 -0.082 0.000 0.833 601 L CB 1.552 43.603 42.059 -0.013 0.000 1.236 601 L HN -0.223 nan 8.230 nan 0.000 0.410 602 V N 4.477 124.382 119.914 -0.014 0.000 2.444 602 V HA 0.352 4.472 4.120 -0.001 0.000 0.294 602 V C -0.178 175.935 176.094 0.032 0.000 1.022 602 V CA -0.535 61.771 62.300 0.010 0.000 0.850 602 V CB 1.677 33.502 31.823 0.004 0.000 0.992 602 V HN 0.849 nan 8.190 nan 0.000 0.426 603 C N 3.865 123.190 119.300 0.043 0.000 2.248 603 C HA 0.470 4.930 4.460 -0.001 0.000 0.320 603 C C 1.000 176.022 174.990 0.053 0.000 1.065 603 C CA -0.501 58.551 59.018 0.057 0.000 1.558 603 C CB -0.224 27.551 27.740 0.059 0.000 1.787 603 C HN 0.873 nan 8.230 nan 0.000 0.426 604 S N 1.589 117.324 115.700 0.058 0.000 2.523 604 S HA 0.133 4.602 4.470 -0.001 0.000 0.275 604 S C 0.945 175.581 174.600 0.061 0.000 1.281 604 S CA -0.100 58.134 58.200 0.055 0.000 1.050 604 S CB 0.874 64.111 63.200 0.062 0.000 0.937 604 S HN 0.820 nan 8.310 nan 0.000 0.492 605 Q N 3.473 123.299 119.800 0.043 0.000 2.089 605 Q HA -0.001 4.339 4.340 -0.001 0.000 0.195 605 Q C 1.676 177.693 176.000 0.028 0.000 0.963 605 Q CA 1.057 56.880 55.803 0.034 0.000 0.834 605 Q CB -0.166 28.583 28.738 0.018 0.000 0.906 605 Q HN 0.832 nan 8.270 nan 0.000 0.452 606 E N 0.645 120.862 120.200 0.027 0.000 2.049 606 E HA -0.211 4.138 4.350 -0.001 0.000 0.198 606 E C 1.685 178.320 176.600 0.059 0.000 1.007 606 E CA 1.382 57.799 56.400 0.028 0.000 0.809 606 E CB -0.249 29.472 29.700 0.035 0.000 0.749 606 E HN 0.533 nan 8.360 nan 0.000 0.450 607 N N -0.230 118.527 118.700 0.096 0.000 2.396 607 N HA -0.065 4.675 4.740 -0.001 0.000 0.180 607 N C 0.856 176.493 175.510 0.212 0.000 1.028 607 N CA 0.572 53.722 53.050 0.168 0.000 0.893 607 N CB 0.249 38.833 38.487 0.162 0.000 0.967 607 N HN 0.174 nan 8.380 nan 0.000 0.440 608 G N 1.597 110.482 108.800 0.141 0.000 2.338 608 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.296 608 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.296 608 G C -0.146 174.905 174.900 0.252 0.000 1.040 608 G CA 1.048 46.245 45.100 0.162 0.000 1.004 608 G HN 0.373 nan 8.290 nan 0.000 0.509 609 T N -1.393 113.271 114.554 0.183 0.000 2.916 609 T HA 0.570 4.919 4.350 -0.001 0.000 0.305 609 T C -0.385 174.384 174.700 0.114 0.000 1.119 609 T CA -0.177 62.016 62.100 0.155 0.000 1.008 609 T CB 1.958 70.904 68.868 0.130 0.000 1.129 609 T HN 0.698 nan 8.240 nan 0.000 0.480 610 V N 4.784 124.772 119.914 0.124 0.000 2.398 610 V HA 0.554 4.674 4.120 -0.001 0.000 0.286 610 V C -0.129 175.993 176.094 0.045 0.000 1.026 610 V CA -0.606 61.765 62.300 0.117 0.000 0.868 610 V CB 1.477 33.442 31.823 0.237 0.000 0.982 610 V HN 0.864 nan 8.190 nan 0.000 0.443 611 Q N 3.885 123.690 119.800 0.009 0.000 2.327 611 Q HA 0.621 4.960 4.340 -0.001 0.000 0.270 611 Q C -0.831 175.118 176.000 -0.084 0.000 1.022 611 Q CA -0.569 55.209 55.803 -0.040 0.000 0.773 611 Q CB 2.167 30.888 28.738 -0.027 0.000 1.251 611 Q HN 0.883 nan 8.270 nan 0.000 0.457 612 I N 0.448 120.939 120.570 -0.131 0.000 2.336 612 I HA 0.432 4.601 4.170 -0.001 0.000 0.292 612 I C -0.128 175.888 176.117 -0.169 0.000 0.991 612 I CA -0.378 60.784 61.300 -0.229 0.000 1.227 612 I CB 1.199 39.024 38.000 -0.292 0.000 1.366 612 I HN 0.644 nan 8.210 nan 0.000 0.466 613 K N 4.336 124.634 120.400 -0.170 0.000 3.193 613 K HA -0.211 4.109 4.320 -0.001 0.000 0.294 613 K C 0.962 177.524 176.600 -0.063 0.000 1.185 613 K CA 1.060 57.291 56.287 -0.093 0.000 0.866 613 K CB -1.608 30.854 32.500 -0.064 0.000 1.227 613 K HN 1.406 nan 8.250 nan 0.000 0.467 614 G N -0.809 107.952 108.800 -0.065 0.000 2.213 614 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.226 614 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.226 614 G C -0.369 174.502 174.900 -0.048 0.000 0.992 614 G CA 0.206 45.278 45.100 -0.046 0.000 0.632 614 G HN 0.216 nan 8.290 nan 0.000 0.511 615 E N 1.957 122.120 120.200 -0.061 0.000 2.197 615 E HA 0.469 4.819 4.350 -0.001 0.000 0.281 615 E C 0.603 177.154 176.600 -0.082 0.000 0.995 615 E CA 0.244 56.604 56.400 -0.067 0.000 0.808 615 E CB 1.332 30.991 29.700 -0.069 0.000 1.093 615 E HN 0.506 nan 8.360 nan 0.000 0.394 616 T N -1.133 113.373 114.554 -0.080 0.000 2.834 616 T HA 0.171 4.521 4.350 -0.001 0.000 0.298 616 T C 1.148 175.760 174.700 -0.146 0.000 0.966 616 T CA -0.608 61.439 62.100 -0.090 0.000 1.141 616 T CB 0.416 69.237 68.868 -0.079 0.000 0.905 616 T HN 0.250 nan 8.240 nan 0.000 0.535 617 V N 0.430 120.215 119.914 -0.215 0.000 3.379 617 V HA 0.416 4.535 4.120 -0.001 0.000 0.249 617 V C -0.115 175.619 176.094 -0.600 0.000 1.184 617 V CA -0.151 61.879 62.300 -0.451 0.000 1.106 617 V CB -1.053 30.395 31.823 -0.625 0.000 0.826 617 V HN 0.893 nan 8.190 nan 0.000 0.465 618 Y N 1.505 121.797 120.300 -0.013 0.000 2.470 618 Y HA 0.730 5.279 4.550 -0.003 0.000 0.341 618 Y C -0.230 175.671 175.900 0.002 0.000 1.021 618 Y CA -1.188 56.910 58.100 -0.004 0.000 1.025 618 Y CB 2.071 40.537 38.460 0.010 0.000 1.266 618 Y HN 0.136 nan 8.280 nan 0.000 0.448 619 K N -0.033 120.467 120.400 0.166 0.000 2.395 619 K HA 0.712 5.031 4.320 -0.001 0.000 0.247 619 K C -1.331 175.404 176.600 0.225 0.000 0.973 619 K CA -1.167 55.215 56.287 0.158 0.000 0.828 619 K CB 2.128 34.599 32.500 -0.049 0.000 1.272 619 K HN 0.346 nan 8.250 nan 0.000 0.439 620 V N 2.471 122.571 119.914 0.309 0.000 2.399 620 V HA -0.006 4.113 4.120 -0.001 0.000 0.245 620 V C 0.315 176.553 176.094 0.240 0.000 1.089 620 V CA 1.315 63.746 62.300 0.218 0.000 1.196 620 V CB -0.918 30.994 31.823 0.149 0.000 1.221 620 V HN 1.135 nan 8.190 nan 0.000 0.482 621 T N 0.626 115.284 114.554 0.174 0.000 4.658 621 T HA -0.080 4.270 4.350 -0.001 0.000 0.279 621 T C 0.278 175.044 174.700 0.110 0.000 1.419 621 T CA -0.305 61.884 62.100 0.148 0.000 1.409 621 T CB -0.223 68.774 68.868 0.215 0.000 0.885 621 T HN 0.605 nan 8.240 nan 0.000 0.710 622 D N 1.805 122.271 120.400 0.110 0.000 2.423 622 D HA 0.296 4.935 4.640 -0.001 0.000 0.238 622 D C 0.111 176.456 176.300 0.075 0.000 1.142 622 D CA 0.230 54.285 54.000 0.093 0.000 0.884 622 D CB 1.227 42.102 40.800 0.126 0.000 1.199 622 D HN 0.150 nan 8.370 nan 0.000 0.438 623 V N 3.434 123.389 119.914 0.067 0.000 2.406 623 V HA 0.292 4.411 4.120 -0.001 0.000 0.272 623 V C 0.584 176.717 176.094 0.065 0.000 1.043 623 V CA -0.353 61.981 62.300 0.057 0.000 0.915 623 V CB 0.607 32.462 31.823 0.052 0.000 0.988 623 V HN 0.322 nan 8.190 nan 0.000 0.466 624 I N 1.436 122.037 120.570 0.051 0.000 3.133 624 I HA 0.773 4.942 4.170 -0.001 0.000 0.311 624 I C -0.847 175.298 176.117 0.046 0.000 1.072 624 I CA -0.992 60.343 61.300 0.059 0.000 1.015 624 I CB 2.149 40.173 38.000 0.040 0.000 1.233 624 I HN 0.260 nan 8.210 nan 0.000 0.473 625 D N 1.966 122.397 120.400 0.052 0.000 2.198 625 D HA 0.645 5.284 4.640 -0.001 0.000 0.247 625 D C -0.645 175.688 176.300 0.056 0.000 1.010 625 D CA -0.062 53.972 54.000 0.055 0.000 0.880 625 D CB 2.413 43.241 40.800 0.046 0.000 1.209 625 D HN 0.628 nan 8.370 nan 0.000 0.451 626 V N -1.429 118.538 119.914 0.088 0.000 3.049 626 V HA 0.847 4.966 4.120 -0.001 0.000 0.309 626 V C -0.190 176.000 176.094 0.159 0.000 1.148 626 V CA -0.904 61.451 62.300 0.092 0.000 0.990 626 V CB 1.636 33.490 31.823 0.051 0.000 1.039 626 V HN 0.623 nan 8.190 nan 0.000 0.430 627 T N 0.772 115.401 114.554 0.125 0.000 2.945 627 T HA 0.728 5.077 4.350 -0.001 0.000 0.286 627 T C -0.249 174.526 174.700 0.124 0.000 1.025 627 T CA -0.782 61.410 62.100 0.154 0.000 1.039 627 T CB 1.529 70.448 68.868 0.085 0.000 1.068 627 T HN 0.735 nan 8.240 nan 0.000 0.497 628 I N 2.471 123.117 120.570 0.127 0.000 2.379 628 I HA 0.309 4.478 4.170 -0.001 0.000 0.290 628 I C 1.358 177.510 176.117 0.058 0.000 1.063 628 I CA -0.626 60.699 61.300 0.042 0.000 1.351 628 I CB -0.059 37.939 38.000 -0.003 0.000 1.410 628 I HN 1.004 nan 8.210 nan 0.000 0.505 629 A N 5.759 128.626 122.820 0.078 0.000 1.878 629 A HA 0.089 4.408 4.320 -0.001 0.000 0.213 629 A C 0.827 178.461 177.584 0.084 0.000 1.192 629 A CA 0.746 52.849 52.037 0.111 0.000 0.619 629 A CB 0.275 19.434 19.000 0.265 0.000 0.837 629 A HN 0.746 nan 8.150 nan 0.000 0.446 630 E N -1.515 118.726 120.200 0.068 0.000 2.390 630 E HA 0.441 4.791 4.350 -0.001 0.000 0.280 630 E C -2.042 174.567 176.600 0.015 0.000 0.992 630 E CA -0.464 55.962 56.400 0.045 0.000 0.790 630 E CB 2.378 32.117 29.700 0.064 0.000 1.248 630 E HN 0.414 nan 8.360 nan 0.000 0.447 631 V N 1.847 121.764 119.914 0.004 0.000 2.482 631 V HA 0.670 4.790 4.120 -0.001 0.000 0.295 631 V C -1.579 174.508 176.094 -0.012 0.000 1.026 631 V CA -0.641 61.653 62.300 -0.011 0.000 0.856 631 V CB 1.345 33.159 31.823 -0.015 0.000 1.001 631 V HN 0.580 nan 8.190 nan 0.000 0.424 632 R N 6.268 126.752 120.500 -0.028 0.000 2.207 632 R HA 0.545 4.884 4.340 -0.001 0.000 0.334 632 R C 0.960 177.224 176.300 -0.060 0.000 1.013 632 R CA -0.671 55.408 56.100 -0.035 0.000 0.858 632 R CB 1.392 31.668 30.300 -0.040 0.000 1.094 632 R HN 0.683 nan 8.270 nan 0.000 0.457 633 M N 1.848 121.424 119.600 -0.040 0.000 2.175 633 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 633 M C 1.256 177.503 176.300 -0.089 0.000 1.063 633 M CA 1.581 56.852 55.300 -0.049 0.000 1.119 633 M CB -0.514 32.097 32.600 0.018 0.000 1.377 633 M HN 0.611 nan 8.290 nan 0.000 0.415 634 E N -0.187 119.978 120.200 -0.059 0.000 2.169 634 E HA -0.210 4.140 4.350 -0.001 0.000 0.202 634 E C 1.460 177.984 176.600 -0.127 0.000 1.016 634 E CA 2.052 58.413 56.400 -0.065 0.000 0.817 634 E CB -0.746 28.923 29.700 -0.051 0.000 0.736 634 E HN 0.590 nan 8.360 nan 0.000 0.462 635 T N -2.818 111.639 114.554 -0.162 0.000 3.145 635 T HA 0.347 4.697 4.350 -0.001 0.000 0.281 635 T C -0.041 174.496 174.700 -0.271 0.000 1.003 635 T CA -0.561 61.411 62.100 -0.213 0.000 0.901 635 T CB 0.180 68.947 68.868 -0.169 0.000 1.112 635 T HN 0.002 nan 8.240 nan 0.000 0.535 636 R N 1.597 121.924 120.500 -0.289 0.000 3.225 636 R HA -0.132 4.208 4.340 -0.001 0.000 0.245 636 R C -0.483 175.712 176.300 -0.175 0.000 0.928 636 R CA 0.915 56.847 56.100 -0.280 0.000 0.632 636 R CB -2.682 27.324 30.300 -0.490 0.000 1.038 636 R HN 0.743 nan 8.270 nan 0.000 0.461 637 S N -0.713 114.911 115.700 -0.127 0.000 2.473 637 S HA 0.740 5.210 4.470 -0.001 0.000 0.307 637 S C 0.039 174.605 174.600 -0.055 0.000 1.094 637 S CA -1.160 56.983 58.200 -0.094 0.000 1.070 637 S CB 1.939 65.077 63.200 -0.105 0.000 1.019 637 S HN 0.195 nan 8.310 nan 0.000 0.480 638 I N 2.775 123.316 120.570 -0.048 0.000 2.315 638 I HA 0.347 4.517 4.170 -0.001 0.000 0.291 638 I C -0.692 175.410 176.117 -0.025 0.000 1.006 638 I CA -0.366 60.906 61.300 -0.048 0.000 1.265 638 I CB 0.672 38.619 38.000 -0.088 0.000 1.387 638 I HN 0.558 nan 8.210 nan 0.000 0.475 639 I N 6.440 127.000 120.570 -0.016 0.000 2.312 639 I HA 0.556 4.725 4.170 -0.001 0.000 0.290 639 I C 0.386 176.490 176.117 -0.022 0.000 1.008 639 I CA 0.104 61.385 61.300 -0.031 0.000 1.226 639 I CB 1.207 39.194 38.000 -0.022 0.000 1.371 639 I HN 0.658 nan 8.210 nan 0.000 0.468 640 A N 7.019 129.797 122.820 -0.069 0.000 2.320 640 A HA 0.891 5.211 4.320 -0.001 0.000 0.334 640 A C -0.249 177.381 177.584 0.076 0.000 1.147 640 A CA -0.694 51.335 52.037 -0.014 0.000 0.820 640 A CB 1.012 19.971 19.000 -0.068 0.000 1.218 640 A HN 0.700 nan 8.150 nan 0.000 0.482 641 R N 1.613 122.205 120.500 0.153 0.000 2.670 641 R HA 0.598 4.938 4.340 -0.001 0.000 0.289 641 R C -2.985 173.362 176.300 0.078 0.000 0.965 641 R CA -1.714 54.517 56.100 0.217 0.000 0.899 641 R CB 1.799 32.192 30.300 0.155 0.000 1.173 641 R HN 0.426 nan 8.270 nan 0.000 0.456 642 P HA 0.028 nan 4.420 nan 0.000 0.274 642 P C -0.868 176.458 177.300 0.044 0.000 1.264 642 P CA -0.398 62.722 63.100 0.032 0.000 0.795 642 P CB 0.534 32.263 31.700 0.048 0.000 1.064 643 V N 0.000 119.945 119.914 0.052 0.000 2.409 643 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 643 V CA 0.000 62.324 62.300 0.040 0.000 1.235 643 V CB 0.000 31.843 31.823 0.034 0.000 1.184 643 V HN 0.000 nan 8.190 nan 0.000 0.556