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 1umd_1_A DATA FIRST_RESID 6 DATA SEQUENCE HRFETFTEEP IRLIGEEGEW LGDFPLDLEG EKLRRLYRDM LAARMLDERY DATA SEQUENCE TILIRTGKTS FIAPAAGHEA AQVAIAHAIR PGFDWVFPYY RDHGLALALG DATA SEQUENCE IPLKELLGQM LATKADPNKG RQMPEHPGSK ALNFFTVASP IASHVPPAAG DATA SEQUENCE AAISMKLLRT GQVAVCTFGD GATSEGDWYA GINFAAVQGA PAVFIAENNF DATA SEQUENCE YAISVDYRHQ THSPTIADKA HAFGIPGYLV DGMDVLASYY VVKEAVERAR DATA SEQUENCE RGEGPSLVEL RVYRYGPHSS ADDDSRYRPK EEVAFWRKKD PIPRFRRFLE DATA SEQUENCE ARGLWNEEWE EDVREEIRAE LERGLKEAEE AGPVPPEWMF EDVFAEKPWH DATA SEQUENCE LLRQEALLKE EL 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.165 175.328 -0.271 0.000 0.993 6 H CA 0.000 55.904 56.048 -0.240 0.000 1.023 6 H CB 0.000 29.508 29.762 -0.423 0.000 1.292 7 R N 3.661 123.506 120.500 -1.092 0.000 2.510 7 R HA 0.210 4.551 4.340 0.001 0.000 0.287 7 R C -0.925 174.929 176.300 -0.744 0.000 1.084 7 R CA -0.758 54.954 56.100 -0.647 0.000 0.934 7 R CB 1.402 31.553 30.300 -0.247 0.000 1.201 7 R HN 0.195 nan 8.270 nan 0.000 0.431 8 F N 1.557 121.338 119.950 -0.282 0.000 2.496 8 F HA 0.082 4.609 4.527 0.001 0.000 0.344 8 F C 1.440 177.295 175.800 0.092 0.000 1.155 8 F CA 0.382 58.354 58.000 -0.046 0.000 1.302 8 F CB 0.569 39.553 39.000 -0.028 0.000 1.159 8 F HN 0.252 nan 8.300 nan 0.000 0.595 9 E N 0.505 120.892 120.200 0.311 0.000 2.354 9 E HA 0.208 4.558 4.350 0.001 0.000 0.269 9 E C -0.158 176.573 176.600 0.219 0.000 1.036 9 E CA -0.366 56.161 56.400 0.211 0.000 0.876 9 E CB 0.673 30.471 29.700 0.164 0.000 1.009 9 E HN 0.579 nan 8.360 nan 0.000 0.416 10 T N -0.744 113.834 114.554 0.039 0.000 2.922 10 T HA 0.297 4.647 4.350 0.001 0.000 0.285 10 T C 0.196 174.818 174.700 -0.130 0.000 1.005 10 T CA -0.757 61.133 62.100 -0.349 0.000 1.061 10 T CB 0.217 68.740 68.868 -0.575 0.000 1.007 10 T HN 0.483 nan 8.240 nan 0.000 0.502 11 F N -0.290 119.606 119.950 -0.090 0.000 3.048 11 F HA -0.201 4.327 4.527 0.001 0.000 0.269 11 F C 1.209 177.039 175.800 0.049 0.000 0.960 11 F CA 0.617 58.612 58.000 -0.009 0.000 0.909 11 F CB -2.955 36.060 39.000 0.024 0.000 0.837 11 F HN 0.965 nan 8.300 nan 0.000 0.768 12 T N -3.250 111.397 114.554 0.155 0.000 2.918 12 T HA 0.182 4.533 4.350 0.001 0.000 0.302 12 T C 1.199 175.979 174.700 0.132 0.000 1.045 12 T CA -0.035 62.151 62.100 0.143 0.000 1.114 12 T CB 1.947 70.891 68.868 0.127 0.000 0.965 12 T HN 0.528 nan 8.240 nan 0.000 0.540 13 E N 0.892 121.160 120.200 0.114 0.000 2.107 13 E HA -0.097 4.253 4.350 0.001 0.000 0.191 13 E C 0.216 176.868 176.600 0.087 0.000 0.982 13 E CA 0.713 57.170 56.400 0.096 0.000 0.809 13 E CB 0.261 30.006 29.700 0.076 0.000 0.756 13 E HN 0.642 nan 8.360 nan 0.000 0.459 14 E N 1.894 122.145 120.200 0.084 0.000 2.216 14 E HA 0.233 4.584 4.350 0.001 0.000 0.279 14 E C -2.320 174.332 176.600 0.087 0.000 0.997 14 E CA -2.767 53.680 56.400 0.079 0.000 0.817 14 E CB 1.251 30.991 29.700 0.067 0.000 1.096 14 E HN 0.196 nan 8.360 nan 0.000 0.393 15 P HA 0.104 nan 4.420 nan 0.000 0.268 15 P C 0.249 177.591 177.300 0.070 0.000 1.205 15 P CA 0.009 63.160 63.100 0.086 0.000 0.771 15 P CB 0.655 32.419 31.700 0.106 0.000 0.858 16 I N 3.861 124.465 120.570 0.056 0.000 2.668 16 I HA 0.007 4.178 4.170 0.001 0.000 0.285 16 I C 1.376 177.505 176.117 0.020 0.000 1.168 16 I CA 0.702 62.030 61.300 0.047 0.000 1.424 16 I CB -0.063 37.930 38.000 -0.011 0.000 1.377 16 I HN 0.204 nan 8.210 nan 0.000 0.560 17 R N 6.130 126.646 120.500 0.028 0.000 2.744 17 R HA 0.567 4.908 4.340 0.001 0.000 0.279 17 R C -0.044 176.227 176.300 -0.049 0.000 0.977 17 R CA -0.799 55.302 56.100 0.000 0.000 0.906 17 R CB 2.100 32.404 30.300 0.007 0.000 1.197 17 R HN 0.588 nan 8.270 nan 0.000 0.463 18 L N 1.399 122.569 121.223 -0.087 0.000 2.902 18 L HA 0.388 4.728 4.340 0.001 0.000 0.254 18 L C 0.141 176.921 176.870 -0.150 0.000 1.115 18 L CA 0.219 54.892 54.840 -0.278 0.000 0.947 18 L CB 0.728 42.603 42.059 -0.305 0.000 1.369 18 L HN 0.467 nan 8.230 nan 0.000 0.538 19 I N 0.960 121.530 120.570 0.001 0.000 2.312 19 I HA 0.284 4.455 4.170 0.001 0.000 0.290 19 I C 0.758 176.954 176.117 0.132 0.000 1.008 19 I CA -0.361 61.026 61.300 0.146 0.000 1.226 19 I CB 1.324 39.404 38.000 0.133 0.000 1.371 19 I HN -0.058 nan 8.210 nan 0.000 0.468 20 G N 4.181 113.081 108.800 0.166 0.000 2.572 20 G HA2 0.102 4.062 3.960 0.001 0.000 0.261 20 G HA3 0.102 4.062 3.960 0.001 0.000 0.261 20 G C 0.722 175.679 174.900 0.094 0.000 1.197 20 G CA -0.325 44.833 45.100 0.097 0.000 0.870 20 G HN 0.646 nan 8.290 nan 0.000 0.548 21 E N 0.260 120.488 120.200 0.047 0.000 2.267 21 E HA -0.100 4.250 4.350 0.001 0.000 0.197 21 E C 1.603 178.220 176.600 0.028 0.000 0.998 21 E CA 0.856 57.273 56.400 0.027 0.000 0.830 21 E CB 0.283 29.981 29.700 -0.004 0.000 0.751 21 E HN 0.542 nan 8.360 nan 0.000 0.491 22 E N -0.815 119.405 120.200 0.033 0.000 2.474 22 E HA 0.127 4.478 4.350 0.001 0.000 0.195 22 E C 1.104 177.717 176.600 0.023 0.000 1.039 22 E CA 0.483 56.892 56.400 0.016 0.000 0.881 22 E CB 0.853 30.556 29.700 0.005 0.000 0.970 22 E HN 0.317 nan 8.360 nan 0.000 0.486 23 G N 2.276 111.128 108.800 0.087 0.000 2.159 23 G HA2 -0.231 3.730 3.960 0.001 0.000 0.227 23 G HA3 -0.231 3.730 3.960 0.001 0.000 0.227 23 G C 0.114 175.076 174.900 0.103 0.000 0.986 23 G CA 0.193 45.369 45.100 0.127 0.000 0.651 23 G HN 0.291 nan 8.290 nan 0.000 0.523 24 E N 0.438 120.713 120.200 0.127 0.000 2.390 24 E HA 0.190 4.540 4.350 0.001 0.000 0.261 24 E C 0.038 176.836 176.600 0.331 0.000 1.076 24 E CA -0.822 55.663 56.400 0.142 0.000 0.905 24 E CB 1.055 30.806 29.700 0.086 0.000 0.984 24 E HN 0.449 nan 8.360 nan 0.000 0.427 25 W N 4.896 126.278 121.300 0.137 0.000 2.335 25 W HA 0.197 4.858 4.660 0.001 0.000 0.306 25 W C -0.532 176.023 176.519 0.060 0.000 1.216 25 W CA -0.689 56.767 57.345 0.185 0.000 1.237 25 W CB 0.596 30.130 29.460 0.125 0.000 1.243 25 W HN 0.544 nan 8.180 nan 0.000 0.493 26 L N 5.980 126.904 121.223 -0.499 0.000 2.640 26 L HA 0.224 4.564 4.340 0.001 0.000 0.230 26 L C 1.562 178.023 176.870 -0.682 0.000 1.123 26 L CA -0.180 54.395 54.840 -0.441 0.000 0.900 26 L CB -0.458 41.458 42.059 -0.238 0.000 1.146 26 L HN 0.450 nan 8.230 nan 0.000 0.484 27 G N 0.708 108.581 108.800 -1.546 0.000 2.554 27 G HA2 0.056 4.016 3.960 0.001 0.000 0.238 27 G HA3 0.056 4.016 3.960 0.001 0.000 0.238 27 G C 0.236 174.888 174.900 -0.413 0.000 1.259 27 G CA -0.216 44.202 45.100 -1.136 0.000 0.843 27 G HN 0.370 nan 8.290 nan 0.000 0.582 28 D N -0.060 120.303 120.400 -0.061 0.000 2.561 28 D HA 0.198 4.839 4.640 0.001 0.000 0.232 28 D C -0.118 176.338 176.300 0.261 0.000 1.198 28 D CA -0.417 53.651 54.000 0.114 0.000 0.826 28 D CB -0.462 40.434 40.800 0.160 0.000 0.992 28 D HN 0.266 nan 8.370 nan 0.000 0.490 29 F N -2.448 117.521 119.950 0.032 0.000 2.678 29 F HA 0.607 5.134 4.527 0.001 0.000 0.308 29 F C -3.164 172.751 175.800 0.192 0.000 1.118 29 F CA -2.505 55.497 58.000 0.004 0.000 0.959 29 F CB 0.504 39.318 39.000 -0.310 0.000 1.305 29 F HN -0.363 nan 8.300 nan 0.000 0.443 30 P HA 0.207 nan 4.420 nan 0.000 0.275 30 P C -0.740 176.361 177.300 -0.332 0.000 1.227 30 P CA -0.160 62.857 63.100 -0.138 0.000 0.781 30 P CB 1.776 33.445 31.700 -0.052 0.000 0.906 31 L N 3.666 124.381 121.223 -0.847 0.000 2.477 31 L HA 0.059 4.400 4.340 0.001 0.000 0.272 31 L C 0.723 177.446 176.870 -0.246 0.000 1.157 31 L CA 0.809 55.132 54.840 -0.860 0.000 0.889 31 L CB -0.506 40.818 42.059 -1.225 0.000 1.158 31 L HN 0.357 nan 8.230 nan 0.000 0.473 32 D N 3.645 124.081 120.400 0.059 0.000 2.433 32 D HA 0.063 4.704 4.640 0.001 0.000 0.211 32 D C 0.263 176.639 176.300 0.125 0.000 1.114 32 D CA 0.002 54.068 54.000 0.110 0.000 0.837 32 D CB -0.298 40.614 40.800 0.186 0.000 0.984 32 D HN 0.470 nan 8.370 nan 0.000 0.505 33 L N 1.385 122.689 121.223 0.135 0.000 2.380 33 L HA 0.213 4.553 4.340 0.001 0.000 0.273 33 L C 0.869 177.751 176.870 0.020 0.000 1.138 33 L CA -0.267 54.609 54.840 0.061 0.000 0.832 33 L CB 0.784 42.842 42.059 -0.001 0.000 1.124 33 L HN -0.055 nan 8.230 nan 0.000 0.454 34 E N 1.569 121.773 120.200 0.007 0.000 2.392 34 E HA 0.052 4.403 4.350 0.001 0.000 0.259 34 E C 0.993 177.585 176.600 -0.013 0.000 1.108 34 E CA 0.143 56.539 56.400 -0.006 0.000 0.916 34 E CB 0.757 30.455 29.700 -0.004 0.000 0.989 34 E HN 0.800 nan 8.360 nan 0.000 0.432 35 G N 1.351 110.134 108.800 -0.029 0.000 2.469 35 G HA2 -0.344 3.617 3.960 0.001 0.000 0.220 35 G HA3 -0.344 3.617 3.960 0.001 0.000 0.220 35 G C 1.296 176.169 174.900 -0.044 0.000 1.136 35 G CA 0.872 45.945 45.100 -0.045 0.000 0.759 35 G HN 0.677 nan 8.290 nan 0.000 0.562 36 E N 0.185 120.363 120.200 -0.036 0.000 2.077 36 E HA -0.171 4.179 4.350 0.001 0.000 0.193 36 E C 2.353 178.957 176.600 0.006 0.000 0.989 36 E CA 1.275 57.664 56.400 -0.017 0.000 0.800 36 E CB -0.140 29.556 29.700 -0.007 0.000 0.746 36 E HN 0.482 nan 8.360 nan 0.000 0.452 37 K N 0.253 120.645 120.400 -0.014 0.000 2.097 37 K HA -0.095 4.225 4.320 0.001 0.000 0.205 37 K C 2.281 178.846 176.600 -0.059 0.000 1.050 37 K CA 0.701 56.953 56.287 -0.060 0.000 0.938 37 K CB -0.005 32.442 32.500 -0.089 0.000 0.718 37 K HN 0.136 nan 8.250 nan 0.000 0.442 38 L N 0.369 121.605 121.223 0.021 0.000 2.017 38 L HA -0.178 4.163 4.340 0.001 0.000 0.208 38 L C 2.537 179.587 176.870 0.299 0.000 1.073 38 L CA 1.409 56.354 54.840 0.175 0.000 0.745 38 L CB -0.280 41.897 42.059 0.197 0.000 0.894 38 L HN 0.147 nan 8.230 nan 0.000 0.432 39 R N -0.703 119.909 120.500 0.187 0.000 2.115 39 R HA -0.137 4.204 4.340 0.001 0.000 0.230 39 R C 2.389 178.972 176.300 0.471 0.000 1.111 39 R CA 0.923 57.221 56.100 0.330 0.000 0.976 39 R CB -0.221 30.099 30.300 0.034 0.000 0.870 39 R HN 0.246 nan 8.270 nan 0.000 0.445 40 R N 0.764 121.405 120.500 0.235 0.000 2.092 40 R HA -0.049 4.292 4.340 0.001 0.000 0.231 40 R C 2.008 178.352 176.300 0.073 0.000 1.119 40 R CA 0.978 57.167 56.100 0.149 0.000 0.970 40 R CB -0.110 30.204 30.300 0.023 0.000 0.864 40 R HN 0.188 nan 8.270 nan 0.000 0.440 41 L N -0.420 120.804 121.223 0.002 0.000 2.042 41 L HA -0.235 4.105 4.340 0.001 0.000 0.210 41 L C 2.329 179.316 176.870 0.194 0.000 1.076 41 L CA 1.441 56.240 54.840 -0.068 0.000 0.749 41 L CB -0.625 41.307 42.059 -0.211 0.000 0.893 41 L HN 0.266 nan 8.230 nan 0.000 0.432 42 Y N 0.436 120.970 120.300 0.390 0.000 2.163 42 Y HA -0.225 4.326 4.550 0.001 0.000 0.288 42 Y C 2.900 178.937 175.900 0.228 0.000 1.136 42 Y CA 1.412 59.773 58.100 0.436 0.000 1.147 42 Y CB -0.241 38.538 38.460 0.532 0.000 0.987 42 Y HN -0.040 nan 8.280 nan 0.000 0.509 43 R N 0.688 121.320 120.500 0.220 0.000 2.096 43 R HA -0.185 4.156 4.340 0.001 0.000 0.240 43 R C 1.582 177.856 176.300 -0.043 0.000 1.139 43 R CA 2.173 58.285 56.100 0.020 0.000 0.952 43 R CB -0.786 29.604 30.300 0.151 0.000 0.854 43 R HN 0.424 nan 8.270 nan 0.000 0.436 44 D N -0.084 120.338 120.400 0.036 0.000 2.178 44 D HA -0.115 4.526 4.640 0.001 0.000 0.202 44 D C 1.968 178.256 176.300 -0.019 0.000 0.974 44 D CA 0.943 54.964 54.000 0.035 0.000 0.841 44 D CB -0.102 40.786 40.800 0.147 0.000 0.953 44 D HN 0.278 nan 8.370 nan 0.000 0.478 45 M N -0.211 119.360 119.600 -0.049 0.000 2.175 45 M HA -0.062 4.419 4.480 0.001 0.000 0.264 45 M C 2.138 178.364 176.300 -0.123 0.000 1.063 45 M CA 0.833 56.093 55.300 -0.067 0.000 1.119 45 M CB -0.054 32.518 32.600 -0.046 0.000 1.377 45 M HN 0.022 nan 8.290 nan 0.000 0.415 46 L N -0.346 120.735 121.223 -0.236 0.000 2.056 46 L HA -0.161 4.179 4.340 0.001 0.000 0.207 46 L C 2.812 179.603 176.870 -0.130 0.000 1.078 46 L CA 1.172 55.877 54.840 -0.226 0.000 0.749 46 L CB -0.872 40.989 42.059 -0.330 0.000 0.901 46 L HN 0.285 nan 8.230 nan 0.000 0.433 47 A N 0.062 122.815 122.820 -0.112 0.000 1.902 47 A HA -0.174 4.147 4.320 0.001 0.000 0.217 47 A C 2.521 180.061 177.584 -0.073 0.000 1.181 47 A CA 1.759 53.748 52.037 -0.080 0.000 0.623 47 A CB -0.638 18.326 19.000 -0.059 0.000 0.818 47 A HN 0.412 nan 8.150 nan 0.000 0.443 48 A N -0.250 122.533 122.820 -0.061 0.000 1.898 48 A HA -0.126 4.194 4.320 0.001 0.000 0.216 48 A C 2.183 179.737 177.584 -0.049 0.000 1.181 48 A CA 2.091 54.097 52.037 -0.050 0.000 0.620 48 A CB -0.436 18.545 19.000 -0.032 0.000 0.819 48 A HN 0.461 nan 8.150 nan 0.000 0.442 49 R N -0.193 120.284 120.500 -0.038 0.000 2.073 49 R HA -0.015 4.326 4.340 0.001 0.000 0.234 49 R C 2.011 178.289 176.300 -0.036 0.000 1.134 49 R CA 2.259 58.350 56.100 -0.015 0.000 0.952 49 R CB -0.650 29.648 30.300 -0.002 0.000 0.850 49 R HN 0.548 nan 8.270 nan 0.000 0.433 50 M N -0.303 119.264 119.600 -0.055 0.000 2.229 50 M HA -0.082 4.399 4.480 0.001 0.000 0.264 50 M C 1.884 178.135 176.300 -0.081 0.000 1.063 50 M CA 1.058 56.324 55.300 -0.056 0.000 1.114 50 M CB -0.265 32.301 32.600 -0.057 0.000 1.387 50 M HN 0.205 nan 8.290 nan 0.000 0.420 51 L N 0.564 121.710 121.223 -0.127 0.000 2.056 51 L HA -0.176 4.164 4.340 0.001 0.000 0.207 51 L C 1.698 178.339 176.870 -0.383 0.000 1.078 51 L CA 2.102 56.803 54.840 -0.231 0.000 0.749 51 L CB -0.674 41.213 42.059 -0.285 0.000 0.901 51 L HN 0.186 nan 8.230 nan 0.000 0.433 52 D N -0.616 119.606 120.400 -0.297 0.000 2.117 52 D HA -0.217 4.424 4.640 0.001 0.000 0.197 52 D C 2.005 178.257 176.300 -0.080 0.000 0.987 52 D CA 1.540 55.400 54.000 -0.234 0.000 0.829 52 D CB 0.039 40.825 40.800 -0.022 0.000 0.961 52 D HN 0.550 nan 8.370 nan 0.000 0.460 53 E N -0.537 119.638 120.200 -0.041 0.000 2.204 53 E HA -0.129 4.222 4.350 0.001 0.000 0.194 53 E C 2.076 178.686 176.600 0.017 0.000 0.989 53 E CA 0.276 56.676 56.400 0.000 0.000 0.824 53 E CB 0.123 29.822 29.700 -0.002 0.000 0.756 53 E HN 0.076 nan 8.360 nan 0.000 0.477 54 R N 0.167 120.675 120.500 0.013 0.000 2.090 54 R HA -0.087 4.253 4.340 0.001 0.000 0.228 54 R C 1.858 178.244 176.300 0.143 0.000 1.110 54 R CA 1.048 57.183 56.100 0.059 0.000 0.973 54 R CB -0.382 29.951 30.300 0.056 0.000 0.869 54 R HN 0.272 nan 8.270 nan 0.000 0.440 55 Y N 0.833 121.070 120.300 -0.106 0.000 2.165 55 Y HA -0.161 4.389 4.550 0.001 0.000 0.286 55 Y C 2.489 178.333 175.900 -0.093 0.000 1.155 55 Y CA 1.431 59.453 58.100 -0.129 0.000 1.164 55 Y CB -0.918 37.419 38.460 -0.206 0.000 0.978 55 Y HN 0.052 nan 8.280 nan 0.000 0.513 56 T N 0.538 115.149 114.554 0.095 0.000 2.720 56 T HA -0.190 4.161 4.350 0.001 0.000 0.268 56 T C 2.126 176.832 174.700 0.010 0.000 1.037 56 T CA 1.701 63.820 62.100 0.031 0.000 1.144 56 T CB -0.469 68.415 68.868 0.026 0.000 0.864 56 T HN 0.256 nan 8.240 nan 0.000 0.444 57 I N 0.519 121.099 120.570 0.017 0.000 2.315 57 I HA -0.090 4.081 4.170 0.001 0.000 0.248 57 I C 2.211 178.321 176.117 -0.013 0.000 1.117 57 I CA 1.004 62.306 61.300 0.002 0.000 1.404 57 I CB -0.367 37.637 38.000 0.007 0.000 1.071 57 I HN 0.202 nan 8.210 nan 0.000 0.419 58 L N 0.129 121.339 121.223 -0.021 0.000 2.083 58 L HA -0.234 4.107 4.340 0.001 0.000 0.209 58 L C 2.558 179.390 176.870 -0.065 0.000 1.083 58 L CA 1.088 55.893 54.840 -0.058 0.000 0.752 58 L CB -0.434 41.555 42.059 -0.118 0.000 0.899 58 L HN 0.259 nan 8.230 nan 0.000 0.433 59 I N -0.025 120.507 120.570 -0.063 0.000 2.163 59 I HA -0.267 3.904 4.170 0.001 0.000 0.240 59 I C 2.718 178.815 176.117 -0.034 0.000 1.081 59 I CA 1.386 62.652 61.300 -0.056 0.000 1.353 59 I CB -0.813 37.150 38.000 -0.062 0.000 1.054 59 I HN 0.308 nan 8.210 nan 0.000 0.407 60 R N 0.575 121.059 120.500 -0.025 0.000 2.127 60 R HA -0.174 4.166 4.340 0.001 0.000 0.238 60 R C 1.827 178.117 176.300 -0.016 0.000 1.134 60 R CA 2.052 58.142 56.100 -0.017 0.000 0.975 60 R CB -0.082 30.211 30.300 -0.011 0.000 0.865 60 R HN 0.504 nan 8.270 nan 0.000 0.447 61 T N -3.899 110.643 114.554 -0.021 0.000 3.122 61 T HA 0.236 4.587 4.350 0.001 0.000 0.250 61 T C 1.079 175.765 174.700 -0.023 0.000 1.067 61 T CA 0.293 62.381 62.100 -0.020 0.000 0.966 61 T CB 0.802 69.658 68.868 -0.020 0.000 1.002 61 T HN 0.377 nan 8.240 nan 0.000 0.542 62 G N 2.075 110.859 108.800 -0.026 0.000 2.153 62 G HA2 -0.290 3.670 3.960 0.001 0.000 0.252 62 G HA3 -0.290 3.670 3.960 0.001 0.000 0.252 62 G C 0.984 175.863 174.900 -0.034 0.000 0.994 62 G CA 0.424 45.508 45.100 -0.026 0.000 0.698 62 G HN 0.487 nan 8.290 nan 0.000 0.521 63 K N -0.635 119.738 120.400 -0.044 0.000 2.155 63 K HA 0.061 4.381 4.320 0.001 0.000 0.203 63 K C 1.189 177.749 176.600 -0.067 0.000 1.052 63 K CA 1.371 57.625 56.287 -0.054 0.000 0.948 63 K CB 0.062 32.526 32.500 -0.059 0.000 0.728 63 K HN 0.461 nan 8.250 nan 0.000 0.448 64 T N -0.606 113.901 114.554 -0.078 0.000 2.906 64 T HA 0.182 4.533 4.350 0.001 0.000 0.295 64 T C 0.619 175.294 174.700 -0.041 0.000 1.061 64 T CA -0.554 61.497 62.100 -0.082 0.000 1.000 64 T CB 1.701 70.472 68.868 -0.161 0.000 1.103 64 T HN 0.116 nan 8.240 nan 0.000 0.486 65 S N 2.387 118.089 115.700 0.002 0.000 2.524 65 S HA 0.319 4.789 4.470 0.001 0.000 0.216 65 S C 0.036 174.724 174.600 0.147 0.000 0.987 65 S CA -0.356 57.873 58.200 0.049 0.000 0.909 65 S CB -0.199 63.026 63.200 0.042 0.000 0.781 65 S HN 0.592 nan 8.310 nan 0.000 0.521 66 F N 1.157 121.067 119.950 -0.067 0.000 2.650 66 F HA 0.653 5.181 4.527 0.001 0.000 0.310 66 F C -1.741 174.022 175.800 -0.062 0.000 1.112 66 F CA -1.452 56.518 58.000 -0.050 0.000 0.986 66 F CB 1.501 40.483 39.000 -0.031 0.000 1.285 66 F HN 0.202 nan 8.300 nan 0.000 0.440 67 I N 2.401 122.465 120.570 -0.843 0.000 2.894 67 I HA 0.933 5.104 4.170 0.001 0.000 0.302 67 I C -1.643 174.013 176.117 -0.767 0.000 1.188 67 I CA -1.115 59.860 61.300 -0.542 0.000 1.014 67 I CB 2.327 40.206 38.000 -0.202 0.000 1.242 67 I HN 0.801 nan 8.210 nan 0.000 0.430 68 A N 4.656 127.314 122.820 -0.270 0.000 2.536 68 A HA 0.734 5.055 4.320 0.001 0.000 0.329 68 A C -2.705 174.880 177.584 0.002 0.000 1.321 68 A CA -1.629 50.297 52.037 -0.185 0.000 0.804 68 A CB 0.014 19.047 19.000 0.056 0.000 1.126 68 A HN 0.552 nan 8.150 nan 0.000 0.480 69 P HA 0.052 nan 4.420 nan 0.000 0.258 69 P C 0.735 177.984 177.300 -0.085 0.000 1.172 69 P CA 0.810 63.916 63.100 0.010 0.000 0.762 69 P CB 0.957 32.660 31.700 0.005 0.000 0.764 70 A N 4.000 126.765 122.820 -0.092 0.000 2.390 70 A HA 0.444 4.765 4.320 0.001 0.000 0.232 70 A C 0.994 178.530 177.584 -0.080 0.000 1.233 70 A CA 0.174 52.029 52.037 -0.303 0.000 0.907 70 A CB -0.296 18.374 19.000 -0.550 0.000 0.967 70 A HN 0.547 nan 8.150 nan 0.000 0.512 71 A N -0.286 122.564 122.820 0.050 0.000 2.545 71 A HA 0.434 4.755 4.320 0.001 0.000 0.253 71 A C 1.541 179.207 177.584 0.136 0.000 1.074 71 A CA 0.896 53.035 52.037 0.170 0.000 0.760 71 A CB -0.648 18.516 19.000 0.273 0.000 1.005 71 A HN 1.899 nan 8.150 nan 0.000 0.506 72 G N 1.342 110.190 108.800 0.080 0.000 2.253 72 G HA2 -0.187 3.774 3.960 0.001 0.000 0.209 72 G HA3 -0.187 3.774 3.960 0.001 0.000 0.209 72 G C 0.609 175.482 174.900 -0.046 0.000 0.997 72 G CA 0.439 45.384 45.100 -0.258 0.000 0.640 72 G HN 0.896 nan 8.290 nan 0.000 0.496 73 H N 0.381 119.388 119.070 -0.105 0.000 2.586 73 H HA 0.205 4.762 4.556 0.001 0.000 0.273 73 H C 2.147 177.441 175.328 -0.058 0.000 0.997 73 H CA 0.657 56.653 56.048 -0.087 0.000 1.177 73 H CB 0.622 30.312 29.762 -0.120 0.000 1.471 73 H HN 0.474 nan 8.280 nan 0.000 0.538 74 E N 1.646 121.891 120.200 0.075 0.000 2.070 74 E HA -0.175 4.176 4.350 0.001 0.000 0.197 74 E C 2.409 179.021 176.600 0.020 0.000 1.004 74 E CA 1.360 57.783 56.400 0.038 0.000 0.805 74 E CB -0.067 29.657 29.700 0.040 0.000 0.744 74 E HN 0.402 nan 8.360 nan 0.000 0.451 75 A N 0.888 123.718 122.820 0.016 0.000 1.902 75 A HA -0.097 4.223 4.320 0.001 0.000 0.217 75 A C 2.365 179.939 177.584 -0.016 0.000 1.181 75 A CA 1.941 53.969 52.037 -0.016 0.000 0.623 75 A CB -0.918 18.074 19.000 -0.012 0.000 0.818 75 A HN 0.297 nan 8.150 nan 0.000 0.443 76 A N -0.750 122.060 122.820 -0.016 0.000 1.858 76 A HA -0.220 4.101 4.320 0.001 0.000 0.216 76 A C 2.159 179.745 177.584 0.003 0.000 1.190 76 A CA 1.733 53.757 52.037 -0.022 0.000 0.617 76 A CB -0.665 18.303 19.000 -0.053 0.000 0.827 76 A HN 0.633 nan 8.150 nan 0.000 0.443 77 Q N -0.647 119.163 119.800 0.016 0.000 2.079 77 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 77 Q C 2.164 178.179 176.000 0.026 0.000 0.974 77 Q CA 1.606 57.419 55.803 0.017 0.000 0.840 77 Q CB -0.294 28.441 28.738 -0.007 0.000 0.898 77 Q HN 0.482 nan 8.270 nan 0.000 0.430 78 V N 0.804 120.741 119.914 0.038 0.000 2.358 78 V HA -0.250 3.871 4.120 0.001 0.000 0.246 78 V C 2.234 178.426 176.094 0.164 0.000 1.047 78 V CA 1.691 64.048 62.300 0.095 0.000 1.035 78 V CB -0.895 30.977 31.823 0.082 0.000 0.658 78 V HN 0.387 nan 8.190 nan 0.000 0.452 79 A N 0.126 123.004 122.820 0.097 0.000 1.883 79 A HA -0.203 4.117 4.320 0.001 0.000 0.217 79 A C 2.170 179.852 177.584 0.162 0.000 1.186 79 A CA 2.049 54.174 52.037 0.148 0.000 0.624 79 A CB -0.565 18.480 19.000 0.076 0.000 0.822 79 A HN 0.510 nan 8.150 nan 0.000 0.444 80 I N -0.245 120.367 120.570 0.071 0.000 2.226 80 I HA -0.283 3.888 4.170 0.001 0.000 0.245 80 I C 2.937 179.079 176.117 0.042 0.000 1.100 80 I CA 1.054 62.377 61.300 0.038 0.000 1.374 80 I CB -0.354 37.658 38.000 0.020 0.000 1.057 80 I HN 0.357 nan 8.210 nan 0.000 0.413 81 A N -0.185 122.645 122.820 0.016 0.000 1.972 81 A HA -0.221 4.100 4.320 0.001 0.000 0.219 81 A C 2.069 179.551 177.584 -0.171 0.000 1.169 81 A CA 1.549 53.531 52.037 -0.092 0.000 0.635 81 A CB -0.756 18.137 19.000 -0.179 0.000 0.810 81 A HN 0.470 nan 8.150 nan 0.000 0.446 82 H N -1.515 117.613 119.070 0.097 0.000 2.563 82 H HA 0.320 4.876 4.556 0.001 0.000 0.264 82 H C 2.088 177.575 175.328 0.265 0.000 0.957 82 H CA 0.743 56.881 56.048 0.149 0.000 1.173 82 H CB 0.143 29.959 29.762 0.091 0.000 1.420 82 H HN 0.539 nan 8.280 nan 0.000 0.551 83 A N 1.262 124.223 122.820 0.235 0.000 2.169 83 A HA 0.153 4.473 4.320 0.001 0.000 0.212 83 A C 1.324 178.921 177.584 0.021 0.000 1.153 83 A CA 0.073 52.115 52.037 0.010 0.000 0.756 83 A CB -0.255 18.651 19.000 -0.158 0.000 0.813 83 A HN 0.367 nan 8.150 nan 0.000 0.471 84 I N -4.919 115.689 120.570 0.063 0.000 3.436 84 I HA 0.599 4.770 4.170 0.001 0.000 0.296 84 I C -0.455 175.723 176.117 0.103 0.000 1.143 84 I CA -1.513 59.832 61.300 0.076 0.000 1.009 84 I CB 1.487 39.526 38.000 0.066 0.000 1.301 84 I HN -0.187 nan 8.210 nan 0.000 0.503 85 R N 2.110 122.701 120.500 0.152 0.000 2.247 85 R HA 0.411 4.752 4.340 0.001 0.000 0.329 85 R C -2.513 173.879 176.300 0.153 0.000 1.014 85 R CA -1.712 54.487 56.100 0.166 0.000 0.907 85 R CB 0.678 31.130 30.300 0.253 0.000 1.146 85 R HN 0.438 nan 8.270 nan 0.000 0.499 86 P HA -0.072 nan 4.420 nan 0.000 0.264 86 P C 0.697 178.031 177.300 0.056 0.000 1.193 86 P CA 0.883 64.003 63.100 0.032 0.000 0.763 86 P CB 1.036 32.718 31.700 -0.029 0.000 0.810 87 G N 2.348 111.165 108.800 0.029 0.000 2.217 87 G HA2 -0.353 3.608 3.960 0.001 0.000 0.246 87 G HA3 -0.353 3.608 3.960 0.001 0.000 0.246 87 G C 0.301 175.281 174.900 0.133 0.000 0.990 87 G CA 0.316 45.435 45.100 0.031 0.000 0.627 87 G HN 0.520 nan 8.290 nan 0.000 0.522 88 F N 1.442 121.402 119.950 0.016 0.000 2.536 88 F HA 0.410 4.938 4.527 0.001 0.000 0.278 88 F C 0.853 176.746 175.800 0.156 0.000 0.945 88 F CA 0.534 58.580 58.000 0.075 0.000 1.244 88 F CB 0.176 39.214 39.000 0.063 0.000 1.118 88 F HN 0.033 nan 8.300 nan 0.000 0.725 89 D N -0.124 120.303 120.400 0.046 0.000 2.358 89 D HA 0.050 4.691 4.640 0.001 0.000 0.244 89 D C -1.038 175.354 176.300 0.154 0.000 1.163 89 D CA 0.319 54.324 54.000 0.008 0.000 0.945 89 D CB 0.483 41.330 40.800 0.079 0.000 1.152 89 D HN 0.089 nan 8.370 nan 0.000 0.451 90 W N -0.076 121.182 121.300 -0.069 0.000 2.578 90 W HA 0.464 5.125 4.660 0.001 0.000 0.346 90 W C -0.496 176.045 176.519 0.037 0.000 1.075 90 W CA -0.629 56.706 57.345 -0.017 0.000 1.233 90 W CB 1.125 30.604 29.460 0.031 0.000 1.358 90 W HN -0.103 nan 8.180 nan 0.000 0.574 91 V N 3.069 123.071 119.914 0.147 0.000 2.588 91 V HA 0.411 4.531 4.120 0.001 0.000 0.304 91 V C -1.177 174.852 176.094 -0.108 0.000 1.042 91 V CA -1.035 61.338 62.300 0.121 0.000 0.877 91 V CB 1.389 33.315 31.823 0.172 0.000 0.996 91 V HN 0.221 nan 8.190 nan 0.000 0.425 92 F N 6.687 126.676 119.950 0.066 0.000 2.363 92 F HA 0.489 5.016 4.527 0.001 0.000 0.366 92 F C -2.002 173.888 175.800 0.150 0.000 1.083 92 F CA -2.174 55.912 58.000 0.144 0.000 1.176 92 F CB 1.514 40.639 39.000 0.208 0.000 1.432 92 F HN 0.323 nan 8.300 nan 0.000 0.482 93 P HA 0.305 nan 4.420 nan 0.000 0.284 93 P C -1.328 175.879 177.300 -0.155 0.000 1.292 93 P CA -0.274 62.770 63.100 -0.093 0.000 0.800 93 P CB 1.922 33.370 31.700 -0.421 0.000 1.188 94 Y N -2.494 117.627 120.300 -0.298 0.000 2.693 94 Y HA 0.401 4.952 4.550 0.001 0.000 0.331 94 Y C 1.600 177.284 175.900 -0.360 0.000 1.092 94 Y CA -1.194 56.656 58.100 -0.416 0.000 1.131 94 Y CB -0.738 37.480 38.460 -0.404 0.000 1.318 94 Y HN 0.419 nan 8.280 nan 0.000 0.510 95 Y N -0.579 119.596 120.300 -0.208 0.000 2.298 95 Y HA -0.050 4.500 4.550 0.001 0.000 0.287 95 Y C 1.945 177.638 175.900 -0.345 0.000 1.164 95 Y CA 1.681 59.620 58.100 -0.268 0.000 1.229 95 Y CB -0.502 37.862 38.460 -0.159 0.000 0.977 95 Y HN 0.647 nan 8.280 nan 0.000 0.538 96 R N 0.661 120.536 120.500 -1.043 0.000 2.310 96 R HA -0.001 4.340 4.340 0.001 0.000 0.202 96 R C 0.096 175.909 176.300 -0.812 0.000 0.933 96 R CA 0.261 55.894 56.100 -0.778 0.000 1.054 96 R CB -0.090 29.699 30.300 -0.851 0.000 0.985 96 R HN 0.312 nan 8.270 nan 0.000 0.489 97 D N 0.564 120.572 120.400 -0.654 0.000 2.519 97 D HA -0.043 4.598 4.640 0.001 0.000 0.238 97 D C 1.017 177.227 176.300 -0.150 0.000 1.192 97 D CA 0.220 54.013 54.000 -0.344 0.000 0.835 97 D CB 0.002 40.722 40.800 -0.133 0.000 0.975 97 D HN 0.549 nan 8.370 nan 0.000 0.490 98 H N -1.457 117.563 119.070 -0.084 0.000 2.491 98 H HA -0.002 4.554 4.556 0.001 0.000 0.290 98 H C 1.880 177.126 175.328 -0.137 0.000 1.050 98 H CA 1.042 57.044 56.048 -0.076 0.000 1.309 98 H CB -0.162 29.557 29.762 -0.072 0.000 1.392 98 H HN 0.117 nan 8.280 nan 0.000 0.554 99 G N 1.982 110.702 108.800 -0.133 0.000 2.403 99 G HA2 -0.189 3.772 3.960 0.001 0.000 0.216 99 G HA3 -0.189 3.772 3.960 0.001 0.000 0.216 99 G C 1.735 176.596 174.900 -0.067 0.000 1.154 99 G CA 0.640 45.698 45.100 -0.070 0.000 0.784 99 G HN 0.360 nan 8.290 nan 0.000 0.538 100 L N 1.598 122.782 121.223 -0.064 0.000 2.056 100 L HA 0.209 4.549 4.340 0.001 0.000 0.207 100 L C 2.962 179.770 176.870 -0.104 0.000 1.078 100 L CA 2.100 56.924 54.840 -0.027 0.000 0.749 100 L CB -1.017 41.076 42.059 0.057 0.000 0.901 100 L HN 0.224 nan 8.230 nan 0.000 0.433 101 A N -0.451 122.259 122.820 -0.183 0.000 1.908 101 A HA -0.227 4.094 4.320 0.001 0.000 0.218 101 A C 2.284 179.664 177.584 -0.339 0.000 1.181 101 A CA 2.092 53.802 52.037 -0.545 0.000 0.627 101 A CB -1.067 17.609 19.000 -0.541 0.000 0.818 101 A HN 0.503 nan 8.150 nan 0.000 0.445 102 L N -0.352 120.761 121.223 -0.183 0.000 2.027 102 L HA -0.028 4.312 4.340 0.001 0.000 0.206 102 L C 2.690 179.490 176.870 -0.117 0.000 1.074 102 L CA 2.229 56.991 54.840 -0.130 0.000 0.745 102 L CB -0.746 41.263 42.059 -0.083 0.000 0.898 102 L HN 0.333 nan 8.230 nan 0.000 0.433 103 A N -1.026 121.733 122.820 -0.103 0.000 2.019 103 A HA -0.167 4.154 4.320 0.001 0.000 0.219 103 A C 2.177 179.653 177.584 -0.181 0.000 1.164 103 A CA 1.651 53.630 52.037 -0.096 0.000 0.644 103 A CB -0.852 18.112 19.000 -0.060 0.000 0.805 103 A HN 0.459 nan 8.150 nan 0.000 0.449 104 L N -1.381 119.728 121.223 -0.190 0.000 2.291 104 L HA 0.200 4.541 4.340 0.001 0.000 0.214 104 L C 1.578 178.349 176.870 -0.165 0.000 1.120 104 L CA 1.741 56.466 54.840 -0.192 0.000 0.799 104 L CB -0.034 41.900 42.059 -0.208 0.000 0.925 104 L HN 0.659 nan 8.230 nan 0.000 0.446 105 G N -1.129 107.577 108.800 -0.157 0.000 2.175 105 G HA2 -0.203 3.757 3.960 0.001 0.000 0.182 105 G HA3 -0.203 3.757 3.960 0.001 0.000 0.182 105 G C 0.352 175.175 174.900 -0.129 0.000 1.003 105 G CA -0.046 44.985 45.100 -0.115 0.000 0.666 105 G HN 0.229 nan 8.290 nan 0.000 0.506 106 I N 2.423 122.879 120.570 -0.191 0.000 2.598 106 I HA 0.170 4.341 4.170 0.001 0.000 0.284 106 I C -1.568 174.478 176.117 -0.120 0.000 1.140 106 I CA -1.534 59.655 61.300 -0.185 0.000 1.420 106 I CB 0.693 38.516 38.000 -0.295 0.000 1.387 106 I HN -0.085 nan 8.210 nan 0.000 0.553 107 P HA -0.001 nan 4.420 nan 0.000 0.264 107 P C 0.751 178.025 177.300 -0.043 0.000 1.183 107 P CA 0.049 63.118 63.100 -0.052 0.000 0.763 107 P CB 0.564 32.241 31.700 -0.038 0.000 0.807 108 L N 2.732 123.936 121.223 -0.032 0.000 2.127 108 L HA -0.228 4.112 4.340 0.001 0.000 0.211 108 L C 2.373 179.240 176.870 -0.004 0.000 1.089 108 L CA 1.624 56.455 54.840 -0.016 0.000 0.757 108 L CB -0.499 41.553 42.059 -0.012 0.000 0.899 108 L HN 0.489 nan 8.230 nan 0.000 0.434 109 K N 0.502 120.896 120.400 -0.009 0.000 2.063 109 K HA -0.237 4.083 4.320 0.001 0.000 0.208 109 K C 1.852 178.452 176.600 -0.001 0.000 1.048 109 K CA 1.775 58.059 56.287 -0.004 0.000 0.928 109 K CB 0.010 32.507 32.500 -0.006 0.000 0.713 109 K HN 0.380 nan 8.250 nan 0.000 0.442 110 E N 0.399 120.595 120.200 -0.007 0.000 2.107 110 E HA -0.109 4.242 4.350 0.001 0.000 0.191 110 E C 2.137 178.741 176.600 0.007 0.000 0.982 110 E CA 0.889 57.288 56.400 -0.003 0.000 0.809 110 E CB 0.025 29.714 29.700 -0.019 0.000 0.756 110 E HN 0.295 nan 8.360 nan 0.000 0.459 111 L N 0.604 121.830 121.223 0.006 0.000 2.027 111 L HA -0.175 4.166 4.340 0.001 0.000 0.206 111 L C 2.409 179.309 176.870 0.051 0.000 1.074 111 L CA 0.956 55.821 54.840 0.041 0.000 0.745 111 L CB -0.299 41.789 42.059 0.049 0.000 0.898 111 L HN 0.170 nan 8.230 nan 0.000 0.433 112 L N -0.731 120.512 121.223 0.034 0.000 2.156 112 L HA -0.057 4.283 4.340 0.001 0.000 0.208 112 L C 2.653 179.511 176.870 -0.021 0.000 1.095 112 L CA 1.018 55.858 54.840 -0.000 0.000 0.770 112 L CB -1.003 41.062 42.059 0.009 0.000 0.914 112 L HN 0.290 nan 8.230 nan 0.000 0.439 113 G N -0.925 107.873 108.800 -0.003 0.000 2.422 113 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 113 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 113 G C 1.555 176.456 174.900 0.002 0.000 1.146 113 G CA 0.288 45.388 45.100 -0.001 0.000 0.769 113 G HN 0.237 nan 8.290 nan 0.000 0.547 114 Q N -0.342 119.466 119.800 0.013 0.000 2.123 114 Q HA 0.013 4.353 4.340 0.001 0.000 0.199 114 Q C 2.562 178.564 176.000 0.003 0.000 0.966 114 Q CA 0.718 56.537 55.803 0.026 0.000 0.845 114 Q CB -0.226 28.547 28.738 0.058 0.000 0.907 114 Q HN 0.332 nan 8.270 nan 0.000 0.439 115 M N -0.085 119.492 119.600 -0.038 0.000 2.229 115 M HA -0.116 4.364 4.480 0.001 0.000 0.264 115 M C 1.688 177.933 176.300 -0.091 0.000 1.063 115 M CA 0.937 56.171 55.300 -0.110 0.000 1.114 115 M CB -0.601 31.825 32.600 -0.289 0.000 1.387 115 M HN 0.125 nan 8.290 nan 0.000 0.420 116 L N -0.480 120.702 121.223 -0.069 0.000 2.585 116 L HA 0.316 4.656 4.340 0.001 0.000 0.226 116 L C 1.129 177.975 176.870 -0.039 0.000 1.113 116 L CA 0.362 55.168 54.840 -0.057 0.000 0.876 116 L CB -0.655 41.372 42.059 -0.054 0.000 1.072 116 L HN 0.415 nan 8.230 nan 0.000 0.468 117 A N -0.240 122.565 122.820 -0.026 0.000 2.791 117 A HA -0.210 4.111 4.320 0.001 0.000 0.292 117 A C 0.885 178.457 177.584 -0.020 0.000 1.487 117 A CA 0.966 52.993 52.037 -0.016 0.000 0.760 117 A CB -2.637 16.347 19.000 -0.027 0.000 1.031 117 A HN 0.446 nan 8.150 nan 0.000 0.503 118 T N -3.203 111.342 114.554 -0.015 0.000 2.923 118 T HA 0.637 4.988 4.350 0.001 0.000 0.281 118 T C 0.941 175.644 174.700 0.006 0.000 0.995 118 T CA -0.137 61.947 62.100 -0.026 0.000 0.985 118 T CB 0.950 69.801 68.868 -0.027 0.000 1.114 118 T HN 0.287 nan 8.240 nan 0.000 0.548 119 K N 0.136 120.529 120.400 -0.012 0.000 2.574 119 K HA 0.051 4.371 4.320 0.001 0.000 0.193 119 K C 2.059 178.715 176.600 0.093 0.000 1.035 119 K CA 0.693 57.017 56.287 0.061 0.000 0.982 119 K CB -0.426 32.073 32.500 -0.002 0.000 0.795 119 K HN 0.687 nan 8.250 nan 0.000 0.491 120 A N 1.601 124.449 122.820 0.047 0.000 2.119 120 A HA -0.099 4.222 4.320 0.001 0.000 0.216 120 A C 0.682 178.293 177.584 0.044 0.000 1.152 120 A CA 0.449 52.509 52.037 0.038 0.000 0.708 120 A CB -0.129 18.880 19.000 0.015 0.000 0.805 120 A HN 0.195 nan 8.150 nan 0.000 0.460 121 D N 0.177 120.611 120.400 0.057 0.000 2.339 121 D HA 0.185 4.826 4.640 0.001 0.000 0.256 121 D C -1.395 174.942 176.300 0.063 0.000 1.214 121 D CA -2.160 51.872 54.000 0.053 0.000 0.877 121 D CB 1.118 41.950 40.800 0.054 0.000 1.111 121 D HN 0.091 nan 8.370 nan 0.000 0.478 122 P HA -0.081 nan 4.420 nan 0.000 0.230 122 P C 0.207 177.504 177.300 -0.006 0.000 1.158 122 P CA 0.549 63.656 63.100 0.011 0.000 0.769 122 P CB 0.383 32.079 31.700 -0.006 0.000 0.807 123 N N 0.600 119.306 118.700 0.011 0.000 2.322 123 N HA 0.031 4.772 4.740 0.001 0.000 0.194 123 N C 0.229 175.749 175.510 0.016 0.000 1.126 123 N CA 0.050 53.097 53.050 -0.005 0.000 0.845 123 N CB -0.095 38.395 38.487 0.005 0.000 0.976 123 N HN 0.178 nan 8.380 nan 0.000 0.475 124 K N -0.172 120.271 120.400 0.071 0.000 3.016 124 K HA -0.207 4.113 4.320 0.001 0.000 0.262 124 K C 0.680 177.381 176.600 0.169 0.000 1.043 124 K CA 0.396 56.799 56.287 0.194 0.000 0.761 124 K CB -1.875 30.707 32.500 0.138 0.000 1.230 124 K HN 0.406 nan 8.250 nan 0.000 0.485 125 G N 0.461 109.312 108.800 0.085 0.000 2.258 125 G HA2 -0.382 3.579 3.960 0.001 0.000 0.274 125 G HA3 -0.382 3.579 3.960 0.001 0.000 0.274 125 G C 0.905 175.809 174.900 0.007 0.000 1.021 125 G CA 0.698 45.820 45.100 0.037 0.000 0.798 125 G HN 0.360 nan 8.290 nan 0.000 0.507 126 R N -0.570 119.928 120.500 -0.003 0.000 2.115 126 R HA 0.027 4.368 4.340 0.001 0.000 0.226 126 R C 1.447 177.692 176.300 -0.092 0.000 1.100 126 R CA 1.252 57.325 56.100 -0.044 0.000 0.980 126 R CB -0.034 30.234 30.300 -0.053 0.000 0.875 126 R HN 0.698 nan 8.270 nan 0.000 0.445 127 Q N 0.047 119.782 119.800 -0.109 0.000 2.378 127 Q HA 0.376 4.717 4.340 0.001 0.000 0.276 127 Q C 0.049 175.921 176.000 -0.212 0.000 1.083 127 Q CA -0.727 54.944 55.803 -0.219 0.000 0.856 127 Q CB 2.067 30.610 28.738 -0.326 0.000 1.383 127 Q HN 0.028 nan 8.270 nan 0.000 0.458 128 M N -0.633 118.766 119.600 -0.334 0.000 2.167 128 M HA 0.371 4.852 4.480 0.001 0.000 0.300 128 M C -2.343 173.937 176.300 -0.033 0.000 1.171 128 M CA -1.420 53.760 55.300 -0.201 0.000 1.171 128 M CB -0.560 31.877 32.600 -0.271 0.000 1.396 128 M HN 0.135 nan 8.290 nan 0.000 0.466 129 P HA -0.049 nan 4.420 nan 0.000 0.270 129 P C -0.631 176.911 177.300 0.403 0.000 1.221 129 P CA 0.480 63.694 63.100 0.189 0.000 0.788 129 P CB 0.249 32.040 31.700 0.153 0.000 0.904 130 E N -1.043 119.348 120.200 0.317 0.000 2.868 130 E HA -0.232 4.119 4.350 0.001 0.000 0.278 130 E C -0.590 176.127 176.600 0.194 0.000 1.009 130 E CA 0.946 57.545 56.400 0.332 0.000 0.856 130 E CB -2.422 27.539 29.700 0.435 0.000 1.428 130 E HN 0.644 nan 8.360 nan 0.000 0.423 131 H N -0.811 118.347 119.070 0.147 0.000 2.471 131 H HA 0.235 4.792 4.556 0.001 0.000 0.234 131 H C -2.169 173.216 175.328 0.095 0.000 1.388 131 H CA -1.246 54.865 56.048 0.104 0.000 1.198 131 H CB 0.636 30.427 29.762 0.048 0.000 1.714 131 H HN 0.098 nan 8.280 nan 0.000 0.536 132 P HA 0.376 nan 4.420 nan 0.000 0.274 132 P C 0.315 177.763 177.300 0.247 0.000 1.256 132 P CA -0.149 63.083 63.100 0.219 0.000 0.795 132 P CB 1.741 33.588 31.700 0.244 0.000 1.038 133 G N -1.267 107.665 108.800 0.220 0.000 2.691 133 G HA2 0.451 4.411 3.960 0.001 0.000 0.298 133 G HA3 0.451 4.411 3.960 0.001 0.000 0.298 133 G C -1.756 173.211 174.900 0.111 0.000 1.471 133 G CA -0.317 44.895 45.100 0.187 0.000 0.912 133 G HN 0.559 nan 8.290 nan 0.000 0.553 134 S N 0.802 116.563 115.700 0.102 0.000 2.668 134 S HA 0.417 4.887 4.470 0.001 0.000 0.277 134 S C 0.853 175.402 174.600 -0.084 0.000 1.170 134 S CA -0.420 57.776 58.200 -0.007 0.000 0.994 134 S CB 1.696 64.871 63.200 -0.040 0.000 1.051 134 S HN 0.837 nan 8.310 nan 0.000 0.484 135 K N 3.843 124.183 120.400 -0.100 0.000 2.057 135 K HA 0.022 4.343 4.320 0.001 0.000 0.206 135 K C 1.985 178.489 176.600 -0.160 0.000 1.050 135 K CA 1.474 57.676 56.287 -0.142 0.000 0.935 135 K CB -0.491 31.961 32.500 -0.080 0.000 0.715 135 K HN 0.719 nan 8.250 nan 0.000 0.439 136 A N 1.185 123.941 122.820 -0.106 0.000 1.940 136 A HA -0.113 4.207 4.320 0.001 0.000 0.219 136 A C 1.766 179.280 177.584 -0.116 0.000 1.176 136 A CA 1.322 53.305 52.037 -0.090 0.000 0.631 136 A CB -0.358 18.605 19.000 -0.062 0.000 0.814 136 A HN 0.370 nan 8.150 nan 0.000 0.446 137 L N -0.675 120.465 121.223 -0.137 0.000 2.872 137 L HA 0.134 4.475 4.340 0.001 0.000 0.245 137 L C -0.295 176.447 176.870 -0.214 0.000 1.211 137 L CA -0.335 54.421 54.840 -0.141 0.000 1.013 137 L CB -0.225 41.760 42.059 -0.125 0.000 1.326 137 L HN 0.344 nan 8.230 nan 0.000 0.525 138 N N 0.472 118.922 118.700 -0.417 0.000 2.716 138 N HA -0.275 4.466 4.740 0.001 0.000 0.250 138 N C -0.389 174.828 175.510 -0.489 0.000 1.033 138 N CA 0.903 53.428 53.050 -0.877 0.000 0.727 138 N CB -1.440 36.279 38.487 -1.280 0.000 0.950 138 N HN 0.220 nan 8.380 nan 0.000 0.541 139 F N 1.113 120.824 119.950 -0.398 0.000 2.309 139 F HA 0.357 4.884 4.527 0.001 0.000 0.366 139 F C 0.156 175.839 175.800 -0.195 0.000 1.104 139 F CA -1.303 56.556 58.000 -0.235 0.000 1.179 139 F CB 0.026 38.931 39.000 -0.158 0.000 1.437 139 F HN 0.033 nan 8.300 nan 0.000 0.528 140 F N 4.653 124.259 119.950 -0.575 0.000 2.569 140 F HA 0.012 4.540 4.527 0.001 0.000 0.395 140 F C 1.066 176.667 175.800 -0.332 0.000 1.028 140 F CA 0.249 57.963 58.000 -0.477 0.000 1.158 140 F CB -0.067 38.445 39.000 -0.812 0.000 1.023 140 F HN 0.342 nan 8.300 nan 0.000 0.547 141 T N 6.245 120.516 114.554 -0.472 0.000 2.765 141 T HA 0.025 4.376 4.350 0.001 0.000 0.275 141 T C 0.351 174.900 174.700 -0.251 0.000 1.007 141 T CA -0.354 61.564 62.100 -0.304 0.000 1.175 141 T CB -0.221 68.485 68.868 -0.269 0.000 0.993 141 T HN 0.372 nan 8.240 nan 0.000 0.510 142 V N 3.111 122.946 119.914 -0.131 0.000 2.720 142 V HA 0.292 4.412 4.120 0.001 0.000 0.307 142 V C 0.738 176.869 176.094 0.060 0.000 1.071 142 V CA 0.051 62.300 62.300 -0.086 0.000 1.199 142 V CB 0.021 31.765 31.823 -0.132 0.000 0.900 142 V HN 1.083 nan 8.190 nan 0.000 0.494 143 A N 3.877 126.750 122.820 0.089 0.000 2.374 143 A HA 0.641 4.962 4.320 0.001 0.000 0.317 143 A C 0.923 178.648 177.584 0.235 0.000 1.094 143 A CA -0.190 51.960 52.037 0.188 0.000 0.765 143 A CB 1.643 20.747 19.000 0.173 0.000 1.268 143 A HN 0.754 nan 8.150 nan 0.000 0.438 144 S N 1.392 117.271 115.700 0.298 0.000 2.355 144 S HA 0.004 4.475 4.470 0.001 0.000 0.222 144 S C -1.412 173.329 174.600 0.234 0.000 1.031 144 S CA 1.003 59.383 58.200 0.300 0.000 0.993 144 S CB -1.178 62.159 63.200 0.228 0.000 0.859 144 S HN 0.798 nan 8.310 nan 0.000 0.453 145 P HA 0.051 nan 4.420 nan 0.000 0.260 145 P C -0.301 177.136 177.300 0.229 0.000 1.185 145 P CA 0.097 63.302 63.100 0.175 0.000 0.763 145 P CB 0.015 31.798 31.700 0.139 0.000 0.776 146 I N 2.732 123.434 120.570 0.219 0.000 2.821 146 I HA -0.139 4.032 4.170 0.001 0.000 0.294 146 I C 1.664 177.907 176.117 0.211 0.000 1.210 146 I CA 1.031 62.471 61.300 0.235 0.000 1.430 146 I CB -1.108 36.994 38.000 0.169 0.000 1.356 146 I HN 0.737 nan 8.210 nan 0.000 0.563 147 A N 4.818 127.808 122.820 0.284 0.000 3.413 147 A HA -0.263 4.057 4.320 0.001 0.000 0.268 147 A C 1.890 179.567 177.584 0.154 0.000 1.128 147 A CA 1.451 53.586 52.037 0.163 0.000 1.062 147 A CB -2.217 16.834 19.000 0.084 0.000 1.121 147 A HN 0.925 nan 8.150 nan 0.000 0.895 148 S N 0.403 116.274 115.700 0.286 0.000 2.469 148 S HA -0.200 4.271 4.470 0.001 0.000 0.238 148 S C 1.514 176.283 174.600 0.282 0.000 0.998 148 S CA 1.338 59.679 58.200 0.234 0.000 0.957 148 S CB -0.864 62.474 63.200 0.231 0.000 0.764 148 S HN 1.316 nan 8.310 nan 0.000 0.514 149 H N 0.269 119.470 119.070 0.217 0.000 2.539 149 H HA 0.343 4.900 4.556 0.001 0.000 0.267 149 H C 1.621 177.030 175.328 0.136 0.000 0.982 149 H CA 0.432 56.650 56.048 0.283 0.000 1.146 149 H CB -0.782 29.235 29.762 0.426 0.000 1.382 149 H HN 0.358 nan 8.280 nan 0.000 0.577 150 V N 1.889 121.639 119.914 -0.273 0.000 2.323 150 V HA -0.091 4.029 4.120 0.001 0.000 0.244 150 V C -0.355 175.604 176.094 -0.226 0.000 1.041 150 V CA 1.498 63.626 62.300 -0.286 0.000 1.025 150 V CB -1.140 30.449 31.823 -0.391 0.000 0.656 150 V HN 0.376 nan 8.190 nan 0.000 0.451 151 P HA -0.058 nan 4.420 nan 0.000 0.216 151 P C -1.379 175.816 177.300 -0.175 0.000 1.153 151 P CA 1.649 64.665 63.100 -0.140 0.000 0.848 151 P CB -1.071 30.590 31.700 -0.065 0.000 0.787 152 P HA -0.130 nan 4.420 nan 0.000 0.217 152 P C 1.431 178.288 177.300 -0.739 0.000 1.150 152 P CA 1.767 64.696 63.100 -0.284 0.000 0.832 152 P CB -0.595 31.043 31.700 -0.102 0.000 0.787 153 A N 0.117 122.311 122.820 -1.044 0.000 1.902 153 A HA -0.151 4.170 4.320 0.001 0.000 0.217 153 A C 2.309 179.428 177.584 -0.776 0.000 1.181 153 A CA 2.154 53.256 52.037 -1.558 0.000 0.623 153 A CB -1.606 16.821 19.000 -0.956 0.000 0.818 153 A HN 0.195 nan 8.150 nan 0.000 0.443 154 A N -0.532 122.038 122.820 -0.416 0.000 1.902 154 A HA 0.128 4.449 4.320 0.001 0.000 0.217 154 A C 2.420 179.782 177.584 -0.370 0.000 1.181 154 A CA 1.937 53.800 52.037 -0.291 0.000 0.623 154 A CB -1.379 17.502 19.000 -0.198 0.000 0.818 154 A HN 0.728 nan 8.150 nan 0.000 0.443 155 G N -0.535 108.068 108.800 -0.328 0.000 2.418 155 G HA2 0.014 3.974 3.960 0.001 0.000 0.217 155 G HA3 0.014 3.974 3.960 0.001 0.000 0.217 155 G C 1.750 176.456 174.900 -0.324 0.000 1.158 155 G CA 1.431 46.370 45.100 -0.268 0.000 0.771 155 G HN 0.797 nan 8.290 nan 0.000 0.545 156 A N 1.173 123.741 122.820 -0.421 0.000 1.902 156 A HA 0.247 4.568 4.320 0.001 0.000 0.217 156 A C 2.806 180.126 177.584 -0.440 0.000 1.181 156 A CA 2.274 54.029 52.037 -0.470 0.000 0.623 156 A CB -0.755 17.950 19.000 -0.491 0.000 0.818 156 A HN 0.781 nan 8.150 nan 0.000 0.443 157 A N -0.061 122.511 122.820 -0.412 0.000 1.902 157 A HA -0.066 4.254 4.320 0.001 0.000 0.217 157 A C 2.098 179.502 177.584 -0.300 0.000 1.181 157 A CA 1.476 53.307 52.037 -0.343 0.000 0.623 157 A CB -0.593 18.203 19.000 -0.340 0.000 0.818 157 A HN 0.503 nan 8.150 nan 0.000 0.443 158 I N -0.761 119.617 120.570 -0.320 0.000 2.286 158 I HA -0.213 3.958 4.170 0.001 0.000 0.248 158 I C 2.811 178.795 176.117 -0.222 0.000 1.115 158 I CA 1.446 62.573 61.300 -0.288 0.000 1.392 158 I CB -0.253 37.537 38.000 -0.349 0.000 1.065 158 I HN 0.403 nan 8.210 nan 0.000 0.418 159 S N 0.817 116.377 115.700 -0.233 0.000 2.356 159 S HA -0.188 4.283 4.470 0.001 0.000 0.223 159 S C 2.146 176.634 174.600 -0.187 0.000 1.032 159 S CA 1.409 59.491 58.200 -0.196 0.000 1.005 159 S CB -0.150 62.913 63.200 -0.228 0.000 0.867 159 S HN 0.276 nan 8.310 nan 0.000 0.449 160 M N 1.012 120.470 119.600 -0.236 0.000 2.108 160 M HA -0.143 4.338 4.480 0.001 0.000 0.261 160 M C 2.344 178.561 176.300 -0.137 0.000 1.066 160 M CA 1.778 56.957 55.300 -0.201 0.000 1.107 160 M CB -0.401 32.053 32.600 -0.243 0.000 1.356 160 M HN 0.297 nan 8.290 nan 0.000 0.406 161 K N 1.190 121.503 120.400 -0.144 0.000 2.001 161 K HA -0.124 4.196 4.320 0.001 0.000 0.208 161 K C 1.797 178.348 176.600 -0.083 0.000 1.048 161 K CA 1.270 57.492 56.287 -0.108 0.000 0.932 161 K CB -0.136 32.288 32.500 -0.125 0.000 0.715 161 K HN 0.306 nan 8.250 nan 0.000 0.437 162 L N 0.925 122.094 121.223 -0.091 0.000 2.083 162 L HA -0.145 4.196 4.340 0.001 0.000 0.209 162 L C 2.176 179.017 176.870 -0.048 0.000 1.083 162 L CA 0.909 55.709 54.840 -0.065 0.000 0.752 162 L CB -0.264 41.755 42.059 -0.068 0.000 0.899 162 L HN 0.232 nan 8.230 nan 0.000 0.433 163 L N -0.689 120.501 121.223 -0.055 0.000 2.591 163 L HA 0.077 4.418 4.340 0.001 0.000 0.228 163 L C 0.591 177.451 176.870 -0.017 0.000 1.133 163 L CA -0.029 54.790 54.840 -0.034 0.000 0.880 163 L CB -0.168 41.867 42.059 -0.040 0.000 1.033 163 L HN 0.234 nan 8.230 nan 0.000 0.450 164 R N -0.115 120.371 120.500 -0.023 0.000 3.333 164 R HA -0.192 4.149 4.340 0.001 0.000 0.256 164 R C 1.351 177.667 176.300 0.026 0.000 1.010 164 R CA 0.687 56.785 56.100 -0.002 0.000 0.680 164 R CB -2.227 28.077 30.300 0.006 0.000 1.102 164 R HN 0.513 nan 8.270 nan 0.000 0.440 165 T N -4.050 110.514 114.554 0.016 0.000 3.023 165 T HA 0.127 4.477 4.350 0.001 0.000 0.266 165 T C 1.566 176.364 174.700 0.163 0.000 1.093 165 T CA 0.914 63.056 62.100 0.071 0.000 1.129 165 T CB 0.477 69.344 68.868 -0.002 0.000 0.899 165 T HN 0.772 nan 8.240 nan 0.000 0.491 166 G N 0.969 109.826 108.800 0.096 0.000 2.159 166 G HA2 -0.249 3.711 3.960 0.001 0.000 0.256 166 G HA3 -0.249 3.711 3.960 0.001 0.000 0.256 166 G C -0.125 174.870 174.900 0.158 0.000 0.977 166 G CA 0.263 45.464 45.100 0.169 0.000 0.652 166 G HN 0.697 nan 8.290 nan 0.000 0.531 167 Q N -0.971 118.747 119.800 -0.137 0.000 2.249 167 Q HA 0.712 5.053 4.340 0.001 0.000 0.226 167 Q C 0.005 175.890 176.000 -0.192 0.000 0.983 167 Q CA -0.530 55.014 55.803 -0.432 0.000 0.930 167 Q CB 2.093 30.454 28.738 -0.628 0.000 1.193 167 Q HN 0.227 nan 8.270 nan 0.000 0.508 168 V N -0.016 119.804 119.914 -0.156 0.000 2.962 168 V HA 0.727 4.848 4.120 0.001 0.000 0.313 168 V C -1.233 174.821 176.094 -0.066 0.000 1.099 168 V CA -0.893 61.344 62.300 -0.104 0.000 0.971 168 V CB 2.027 33.817 31.823 -0.055 0.000 1.028 168 V HN 0.819 nan 8.190 nan 0.000 0.430 169 A N 2.917 125.675 122.820 -0.103 0.000 2.304 169 A HA 0.834 5.154 4.320 0.001 0.000 0.314 169 A C -0.602 176.928 177.584 -0.090 0.000 1.187 169 A CA -0.552 51.482 52.037 -0.006 0.000 0.810 169 A CB 1.352 20.293 19.000 -0.098 0.000 1.183 169 A HN 1.351 nan 8.150 nan 0.000 0.487 170 V N -0.027 119.911 119.914 0.039 0.000 2.472 170 V HA 0.731 4.852 4.120 0.001 0.000 0.290 170 V C -0.079 176.058 176.094 0.071 0.000 1.037 170 V CA -0.884 61.395 62.300 -0.034 0.000 0.908 170 V CB 0.724 32.550 31.823 0.005 0.000 0.985 170 V HN 1.125 nan 8.190 nan 0.000 0.454 171 C N 5.703 124.992 119.300 -0.018 0.000 2.346 171 C HA 0.848 5.309 4.460 0.001 0.000 0.326 171 C C 0.440 175.554 174.990 0.206 0.000 1.224 171 C CA 0.554 59.687 59.018 0.192 0.000 1.408 171 C CB 0.348 28.173 27.740 0.142 0.000 2.089 171 C HN 1.274 nan 8.230 nan 0.000 0.456 172 T N 3.049 117.754 114.554 0.251 0.000 2.895 172 T HA 0.910 5.261 4.350 0.001 0.000 0.283 172 T C -0.728 174.098 174.700 0.211 0.000 1.014 172 T CA -0.412 61.702 62.100 0.024 0.000 1.037 172 T CB 1.494 70.436 68.868 0.123 0.000 1.006 172 T HN 1.077 nan 8.240 nan 0.000 0.468 173 F N -1.608 118.388 119.950 0.076 0.000 2.741 173 F HA 0.783 5.311 4.527 0.001 0.000 0.311 173 F C -0.039 175.467 175.800 -0.490 0.000 1.149 173 F CA -1.516 56.244 58.000 -0.401 0.000 0.930 173 F CB 0.545 39.516 39.000 -0.048 0.000 1.312 173 F HN 0.905 nan 8.300 nan 0.000 0.450 174 G N -0.226 108.280 108.800 -0.490 0.000 2.537 174 G HA2 0.354 4.314 3.960 0.001 0.000 0.297 174 G HA3 0.354 4.314 3.960 0.001 0.000 0.297 174 G C 0.152 175.064 174.900 0.020 0.000 1.310 174 G CA -0.101 44.904 45.100 -0.158 0.000 1.027 174 G HN 0.881 nan 8.290 nan 0.000 0.505 175 D N -0.601 119.799 120.400 -0.000 0.000 2.117 175 D HA -0.108 4.533 4.640 0.001 0.000 0.197 175 D C 2.241 178.498 176.300 -0.072 0.000 0.987 175 D CA 1.326 55.324 54.000 -0.003 0.000 0.829 175 D CB -0.892 39.934 40.800 0.044 0.000 0.961 175 D HN 0.482 nan 8.370 nan 0.000 0.460 176 G N 1.188 109.964 108.800 -0.040 0.000 2.442 176 G HA2 -0.191 3.770 3.960 0.001 0.000 0.219 176 G HA3 -0.191 3.770 3.960 0.001 0.000 0.219 176 G C 1.869 176.689 174.900 -0.133 0.000 1.141 176 G CA 1.572 46.631 45.100 -0.068 0.000 0.763 176 G HN 0.502 nan 8.290 nan 0.000 0.554 177 A N 0.873 123.613 122.820 -0.134 0.000 1.978 177 A HA -0.077 4.244 4.320 0.001 0.000 0.220 177 A C 2.581 179.844 177.584 -0.536 0.000 1.170 177 A CA 2.585 54.501 52.037 -0.201 0.000 0.636 177 A CB -1.076 17.862 19.000 -0.104 0.000 0.810 177 A HN 0.620 nan 8.150 nan 0.000 0.448 178 T N -3.579 110.483 114.554 -0.819 0.000 3.098 178 T HA 0.004 4.355 4.350 0.001 0.000 0.266 178 T C 1.547 175.763 174.700 -0.806 0.000 1.145 178 T CA 1.537 62.710 62.100 -1.544 0.000 1.092 178 T CB -0.273 67.809 68.868 -1.311 0.000 0.908 178 T HN 0.232 nan 8.240 nan 0.000 0.526 179 S N 0.547 116.004 115.700 -0.405 0.000 2.524 179 S HA 0.145 4.616 4.470 0.001 0.000 0.216 179 S C 0.619 175.164 174.600 -0.092 0.000 0.987 179 S CA -0.177 57.896 58.200 -0.211 0.000 0.909 179 S CB 0.025 63.125 63.200 -0.166 0.000 0.781 179 S HN 0.538 nan 8.310 nan 0.000 0.521 180 E N 0.855 121.020 120.200 -0.059 0.000 2.354 180 E HA 0.182 4.533 4.350 0.001 0.000 0.269 180 E C 1.260 177.937 176.600 0.128 0.000 1.036 180 E CA -0.052 56.369 56.400 0.035 0.000 0.876 180 E CB 1.044 30.774 29.700 0.050 0.000 1.009 180 E HN 0.290 nan 8.360 nan 0.000 0.416 181 G N 3.154 112.013 108.800 0.099 0.000 2.422 181 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 181 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 181 G C 0.916 175.918 174.900 0.170 0.000 1.146 181 G CA 0.502 45.683 45.100 0.135 0.000 0.769 181 G HN 0.405 nan 8.290 nan 0.000 0.547 182 D N -0.691 119.775 120.400 0.110 0.000 2.218 182 D HA -0.080 4.561 4.640 0.001 0.000 0.204 182 D C 1.717 178.023 176.300 0.011 0.000 0.976 182 D CA 0.402 54.434 54.000 0.054 0.000 0.853 182 D CB -0.246 40.579 40.800 0.042 0.000 0.939 182 D HN 0.566 nan 8.370 nan 0.000 0.481 183 W N 0.267 121.487 121.300 -0.133 0.000 2.354 183 W HA -0.272 4.388 4.660 0.001 0.000 0.315 183 W C 2.210 178.588 176.519 -0.236 0.000 1.206 183 W CA 1.293 58.473 57.345 -0.276 0.000 1.290 183 W CB -0.723 28.559 29.460 -0.296 0.000 1.152 183 W HN 0.050 nan 8.180 nan 0.000 0.489 184 Y N 1.179 121.525 120.300 0.077 0.000 2.163 184 Y HA -0.149 4.401 4.550 0.001 0.000 0.288 184 Y C 2.323 178.148 175.900 -0.125 0.000 1.136 184 Y CA 2.880 60.998 58.100 0.030 0.000 1.147 184 Y CB -1.069 37.559 38.460 0.279 0.000 0.987 184 Y HN 0.002 nan 8.280 nan 0.000 0.509 185 A N 0.301 123.084 122.820 -0.061 0.000 1.908 185 A HA -0.113 4.208 4.320 0.001 0.000 0.218 185 A C 2.464 179.869 177.584 -0.298 0.000 1.181 185 A CA 1.846 53.788 52.037 -0.158 0.000 0.627 185 A CB -1.734 17.259 19.000 -0.012 0.000 0.818 185 A HN 0.615 nan 8.150 nan 0.000 0.445 186 G N -0.048 108.541 108.800 -0.352 0.000 2.404 186 G HA2 -0.167 3.793 3.960 0.001 0.000 0.215 186 G HA3 -0.167 3.793 3.960 0.001 0.000 0.215 186 G C 1.526 176.055 174.900 -0.619 0.000 1.174 186 G CA 1.092 45.964 45.100 -0.380 0.000 0.780 186 G HN 0.475 nan 8.290 nan 0.000 0.537 187 I N 0.924 120.813 120.570 -1.135 0.000 2.286 187 I HA -0.179 3.992 4.170 0.001 0.000 0.248 187 I C 2.582 177.998 176.117 -1.168 0.000 1.115 187 I CA 1.243 61.580 61.300 -1.605 0.000 1.392 187 I CB -0.283 36.226 38.000 -2.485 0.000 1.065 187 I HN 0.175 nan 8.210 nan 0.000 0.418 188 N N 1.232 119.365 118.700 -0.945 0.000 2.069 188 N HA -0.270 4.470 4.740 0.001 0.000 0.191 188 N C 1.842 177.242 175.510 -0.183 0.000 1.031 188 N CA 1.544 54.334 53.050 -0.434 0.000 0.852 188 N CB -0.269 37.974 38.487 -0.407 0.000 1.018 188 N HN 0.219 nan 8.380 nan 0.000 0.423 189 F N 1.151 120.894 119.950 -0.346 0.000 2.102 189 F HA 0.110 4.638 4.527 0.001 0.000 0.298 189 F C 2.203 177.879 175.800 -0.207 0.000 1.105 189 F CA 1.222 59.084 58.000 -0.229 0.000 1.239 189 F CB -1.141 37.734 39.000 -0.207 0.000 0.991 189 F HN 0.130 nan 8.300 nan 0.000 0.474 190 A N 0.377 123.025 122.820 -0.285 0.000 1.908 190 A HA -0.073 4.248 4.320 0.001 0.000 0.218 190 A C 2.484 179.936 177.584 -0.220 0.000 1.181 190 A CA 2.135 53.985 52.037 -0.312 0.000 0.627 190 A CB -1.520 17.410 19.000 -0.117 0.000 0.818 190 A HN 0.474 nan 8.150 nan 0.000 0.445 191 A N -0.670 122.031 122.820 -0.199 0.000 1.898 191 A HA 0.023 4.344 4.320 0.001 0.000 0.216 191 A C 2.203 179.750 177.584 -0.061 0.000 1.181 191 A CA 1.691 53.663 52.037 -0.110 0.000 0.620 191 A CB -0.926 18.022 19.000 -0.087 0.000 0.819 191 A HN 0.411 nan 8.150 nan 0.000 0.442 192 V N 0.107 119.998 119.914 -0.038 0.000 2.407 192 V HA -0.221 3.900 4.120 0.001 0.000 0.248 192 V C 2.347 178.425 176.094 -0.027 0.000 1.055 192 V CA 1.890 64.195 62.300 0.008 0.000 1.049 192 V CB -0.634 31.239 31.823 0.084 0.000 0.662 192 V HN 0.547 nan 8.190 nan 0.000 0.455 193 Q N -0.270 119.463 119.800 -0.112 0.000 2.403 193 Q HA 0.167 4.508 4.340 0.001 0.000 0.203 193 Q C 1.712 177.629 176.000 -0.138 0.000 0.932 193 Q CA 0.769 56.476 55.803 -0.159 0.000 0.945 193 Q CB 0.148 28.674 28.738 -0.354 0.000 1.045 193 Q HN 0.754 nan 8.270 nan 0.000 0.511 194 G N 1.513 110.246 108.800 -0.111 0.000 2.305 194 G HA2 -0.289 3.672 3.960 0.001 0.000 0.287 194 G HA3 -0.289 3.672 3.960 0.001 0.000 0.287 194 G C 0.285 175.115 174.900 -0.116 0.000 1.036 194 G CA 0.378 45.427 45.100 -0.086 0.000 0.887 194 G HN 0.532 nan 8.290 nan 0.000 0.505 195 A N 0.521 123.242 122.820 -0.165 0.000 2.407 195 A HA 0.669 4.989 4.320 0.001 0.000 0.248 195 A C -0.928 176.555 177.584 -0.169 0.000 1.082 195 A CA -0.868 51.052 52.037 -0.195 0.000 0.785 195 A CB 0.581 19.416 19.000 -0.276 0.000 1.020 195 A HN 0.284 nan 8.150 nan 0.000 0.489 196 P HA 0.300 nan 4.420 nan 0.000 0.237 196 P C -0.633 176.535 177.300 -0.220 0.000 1.788 196 P CA 0.548 63.553 63.100 -0.159 0.000 1.061 196 P CB -0.109 31.512 31.700 -0.132 0.000 1.967 197 A N 2.218 124.873 122.820 -0.276 0.000 2.371 197 A HA 0.614 4.934 4.320 0.001 0.000 0.311 197 A C -0.782 176.475 177.584 -0.545 0.000 1.068 197 A CA -0.668 51.079 52.037 -0.485 0.000 0.744 197 A CB 1.831 20.429 19.000 -0.670 0.000 1.239 197 A HN 0.135 nan 8.150 nan 0.000 0.435 198 V N 2.513 122.084 119.914 -0.573 0.000 2.378 198 V HA 0.423 4.544 4.120 0.001 0.000 0.288 198 V C -1.234 174.566 176.094 -0.490 0.000 1.016 198 V CA -0.220 61.852 62.300 -0.379 0.000 0.840 198 V CB 0.728 32.443 31.823 -0.180 0.000 0.994 198 V HN 0.688 nan 8.190 nan 0.000 0.431 199 F N 5.493 125.456 119.950 0.020 0.000 2.405 199 F HA 0.620 5.148 4.527 0.001 0.000 0.355 199 F C 0.254 176.116 175.800 0.103 0.000 1.121 199 F CA -0.553 57.540 58.000 0.155 0.000 1.112 199 F CB 1.039 40.144 39.000 0.175 0.000 1.126 199 F HN 0.249 nan 8.300 nan 0.000 0.481 200 I N 3.306 123.848 120.570 -0.046 0.000 2.418 200 I HA 0.560 4.731 4.170 0.001 0.000 0.287 200 I C -0.332 175.303 176.117 -0.803 0.000 1.008 200 I CA -0.944 60.200 61.300 -0.261 0.000 1.104 200 I CB 1.728 39.623 38.000 -0.175 0.000 1.264 200 I HN 0.639 nan 8.210 nan 0.000 0.438 201 A N 5.368 127.919 122.820 -0.448 0.000 2.274 201 A HA 0.476 4.796 4.320 0.001 0.000 0.309 201 A C -0.128 177.318 177.584 -0.231 0.000 1.226 201 A CA -0.451 51.345 52.037 -0.401 0.000 0.853 201 A CB 0.270 19.317 19.000 0.077 0.000 1.146 201 A HN 0.763 nan 8.150 nan 0.000 0.518 202 E N 2.346 122.429 120.200 -0.195 0.000 2.136 202 E HA 0.063 4.414 4.350 0.001 0.000 0.246 202 E C -0.687 175.816 176.600 -0.162 0.000 1.017 202 E CA -0.451 55.876 56.400 -0.123 0.000 0.883 202 E CB 0.404 30.165 29.700 0.102 0.000 1.199 202 E HN 0.592 nan 8.360 nan 0.000 0.447 203 N N 2.690 121.222 118.700 -0.279 0.000 2.402 203 N HA -0.009 4.732 4.740 0.001 0.000 0.252 203 N C -0.100 174.963 175.510 -0.746 0.000 1.118 203 N CA -0.202 52.589 53.050 -0.432 0.000 0.945 203 N CB 0.344 38.542 38.487 -0.481 0.000 1.147 203 N HN 0.273 nan 8.380 nan 0.000 0.495 204 N N 3.472 121.860 118.700 -0.520 0.000 2.214 204 N HA 0.085 4.826 4.740 0.001 0.000 0.214 204 N C -0.395 174.939 175.510 -0.293 0.000 1.132 204 N CA -0.387 52.375 53.050 -0.479 0.000 0.856 204 N CB -0.473 37.923 38.487 -0.151 0.000 1.020 204 N HN 0.405 nan 8.380 nan 0.000 0.509 205 F N -2.246 117.631 119.950 -0.122 0.000 2.914 205 F HA -0.269 4.259 4.527 0.001 0.000 0.304 205 F C -0.834 174.736 175.800 -0.382 0.000 0.712 205 F CA 0.554 58.433 58.000 -0.203 0.000 1.211 205 F CB -2.631 36.179 39.000 -0.316 0.000 1.515 205 F HN 0.085 nan 8.300 nan 0.000 0.350 206 Y N -1.123 119.233 120.300 0.094 0.000 2.544 206 Y HA 0.694 5.245 4.550 0.001 0.000 0.342 206 Y C -0.183 175.741 175.900 0.041 0.000 1.062 206 Y CA -1.411 56.730 58.100 0.067 0.000 1.023 206 Y CB 2.014 40.513 38.460 0.066 0.000 1.308 206 Y HN 0.017 nan 8.280 nan 0.000 0.457 207 A N 4.145 127.055 122.820 0.151 0.000 2.709 207 A HA 0.729 5.049 4.320 0.001 0.000 0.332 207 A C 0.359 177.899 177.584 -0.074 0.000 1.241 207 A CA -0.261 51.811 52.037 0.058 0.000 0.782 207 A CB -0.708 18.297 19.000 0.008 0.000 1.109 207 A HN 0.889 nan 8.150 nan 0.000 0.472 208 I N -0.063 120.418 120.570 -0.149 0.000 4.898 208 I HA -0.450 3.721 4.170 0.001 0.000 0.038 208 I C 2.078 177.983 176.117 -0.353 0.000 0.635 208 I CA 2.120 63.182 61.300 -0.396 0.000 0.263 208 I CB -1.165 36.515 38.000 -0.533 0.000 0.350 208 I HN 0.783 nan 8.210 nan 0.000 0.150 209 S N 0.572 115.958 115.700 -0.524 0.000 2.526 209 S HA 0.330 4.801 4.470 0.001 0.000 0.220 209 S C 0.199 174.600 174.600 -0.332 0.000 1.017 209 S CA -0.132 57.498 58.200 -0.951 0.000 0.930 209 S CB 0.406 62.974 63.200 -1.054 0.000 0.856 209 S HN 0.268 nan 8.310 nan 0.000 0.497 210 V N 4.928 124.746 119.914 -0.159 0.000 2.439 210 V HA 0.257 4.378 4.120 0.001 0.000 0.271 210 V C 0.076 176.172 176.094 0.003 0.000 1.040 210 V CA -0.637 61.615 62.300 -0.080 0.000 1.002 210 V CB -0.075 31.706 31.823 -0.070 0.000 1.000 210 V HN 0.595 nan 8.190 nan 0.000 0.477 211 D N 3.339 123.729 120.400 -0.018 0.000 2.358 211 D HA 0.000 4.641 4.640 0.001 0.000 0.244 211 D C 0.955 177.243 176.300 -0.019 0.000 1.163 211 D CA -0.483 53.432 54.000 -0.141 0.000 0.945 211 D CB 0.571 41.288 40.800 -0.138 0.000 1.152 211 D HN 0.408 nan 8.370 nan 0.000 0.451 212 Y N 0.624 120.845 120.300 -0.131 0.000 2.139 212 Y HA -0.310 4.240 4.550 0.001 0.000 0.282 212 Y C 2.380 178.287 175.900 0.010 0.000 1.179 212 Y CA 2.386 60.470 58.100 -0.027 0.000 1.161 212 Y CB -0.142 38.352 38.460 0.057 0.000 0.970 212 Y HN 0.393 nan 8.280 nan 0.000 0.511 213 R N -0.327 120.232 120.500 0.099 0.000 2.127 213 R HA -0.172 4.169 4.340 0.001 0.000 0.238 213 R C 1.368 177.587 176.300 -0.134 0.000 1.134 213 R CA 2.203 58.307 56.100 0.008 0.000 0.975 213 R CB -0.796 29.547 30.300 0.072 0.000 0.865 213 R HN 0.520 nan 8.270 nan 0.000 0.447 214 H N -1.504 117.510 119.070 -0.093 0.000 2.551 214 H HA 0.197 4.754 4.556 0.001 0.000 0.271 214 H C 1.243 176.489 175.328 -0.136 0.000 0.984 214 H CA 0.470 56.466 56.048 -0.087 0.000 1.164 214 H CB 0.546 30.274 29.762 -0.056 0.000 1.437 214 H HN 0.181 nan 8.280 nan 0.000 0.550 215 Q N -0.055 119.665 119.800 -0.133 0.000 2.200 215 Q HA 0.112 4.452 4.340 0.001 0.000 0.197 215 Q C 0.365 176.198 176.000 -0.278 0.000 0.953 215 Q CA 0.935 56.611 55.803 -0.212 0.000 0.851 215 Q CB 0.921 29.491 28.738 -0.281 0.000 0.938 215 Q HN 0.280 nan 8.270 nan 0.000 0.488 216 T N -2.097 112.211 114.554 -0.409 0.000 2.840 216 T HA 0.244 4.594 4.350 0.001 0.000 0.317 216 T C -0.879 173.689 174.700 -0.221 0.000 1.401 216 T CA -0.558 61.359 62.100 -0.304 0.000 1.028 216 T CB 0.864 69.529 68.868 -0.338 0.000 1.317 216 T HN 0.280 nan 8.240 nan 0.000 0.495 217 H N 1.511 120.474 119.070 -0.178 0.000 2.563 217 H HA 0.419 4.975 4.556 0.001 0.000 0.264 217 H C 0.989 176.299 175.328 -0.030 0.000 0.957 217 H CA 0.914 56.899 56.048 -0.104 0.000 1.173 217 H CB 0.150 29.859 29.762 -0.089 0.000 1.420 217 H HN 0.484 nan 8.280 nan 0.000 0.551 218 S N 1.317 117.000 115.700 -0.029 0.000 2.531 218 S HA 0.070 4.541 4.470 0.001 0.000 0.279 218 S C -1.378 173.279 174.600 0.095 0.000 1.305 218 S CA -0.914 57.293 58.200 0.012 0.000 1.058 218 S CB 1.489 64.736 63.200 0.078 0.000 0.899 218 S HN 0.219 nan 8.310 nan 0.000 0.493 219 P HA -0.078 nan 4.420 nan 0.000 0.217 219 P C 0.769 178.179 177.300 0.184 0.000 1.148 219 P CA 1.569 64.736 63.100 0.111 0.000 0.828 219 P CB -0.322 31.405 31.700 0.045 0.000 0.783 220 T N -5.113 109.559 114.554 0.196 0.000 2.865 220 T HA 0.490 4.841 4.350 0.001 0.000 0.294 220 T C 0.928 175.777 174.700 0.247 0.000 1.119 220 T CA -0.776 61.423 62.100 0.165 0.000 1.007 220 T CB 1.016 69.959 68.868 0.124 0.000 1.225 220 T HN -0.210 nan 8.240 nan 0.000 0.515 221 I N 0.765 121.459 120.570 0.207 0.000 2.584 221 I HA 0.100 4.270 4.170 0.001 0.000 0.255 221 I C 2.932 179.205 176.117 0.260 0.000 1.145 221 I CA 0.911 62.349 61.300 0.230 0.000 1.462 221 I CB -0.511 37.606 38.000 0.195 0.000 1.102 221 I HN 0.893 nan 8.210 nan 0.000 0.433 222 A N 0.684 123.630 122.820 0.210 0.000 1.940 222 A HA -0.262 4.058 4.320 0.001 0.000 0.219 222 A C 1.880 179.657 177.584 0.321 0.000 1.176 222 A CA 2.038 54.188 52.037 0.187 0.000 0.631 222 A CB -0.582 18.470 19.000 0.086 0.000 0.814 222 A HN 0.348 nan 8.150 nan 0.000 0.446 223 D N -0.137 120.474 120.400 0.352 0.000 2.221 223 D HA -0.132 4.509 4.640 0.001 0.000 0.204 223 D C 1.705 178.192 176.300 0.313 0.000 0.982 223 D CA 1.208 55.435 54.000 0.379 0.000 0.857 223 D CB -0.263 40.696 40.800 0.264 0.000 0.934 223 D HN 0.544 nan 8.370 nan 0.000 0.475 224 K N 0.664 121.243 120.400 0.298 0.000 2.280 224 K HA -0.031 4.290 4.320 0.001 0.000 0.202 224 K C 2.034 178.766 176.600 0.221 0.000 1.047 224 K CA 0.754 57.207 56.287 0.276 0.000 0.942 224 K CB 0.009 32.781 32.500 0.455 0.000 0.739 224 K HN 0.025 nan 8.250 nan 0.000 0.457 225 A N 1.315 124.331 122.820 0.327 0.000 2.024 225 A HA -0.201 4.120 4.320 0.001 0.000 0.220 225 A C 1.581 179.270 177.584 0.175 0.000 1.164 225 A CA 1.284 53.523 52.037 0.337 0.000 0.643 225 A CB -0.615 18.537 19.000 0.253 0.000 0.806 225 A HN 0.297 nan 8.150 nan 0.000 0.451 226 H N -0.420 118.730 119.070 0.134 0.000 2.457 226 H HA -0.053 4.503 4.556 0.001 0.000 0.297 226 H C 2.361 177.618 175.328 -0.120 0.000 1.092 226 H CA 1.255 57.274 56.048 -0.049 0.000 1.309 226 H CB -0.328 29.315 29.762 -0.198 0.000 1.382 226 H HN 0.546 nan 8.280 nan 0.000 0.535 227 A N 0.177 122.895 122.820 -0.169 0.000 2.168 227 A HA -0.054 4.266 4.320 0.001 0.000 0.215 227 A C 1.240 178.545 177.584 -0.466 0.000 1.152 227 A CA 0.802 52.620 52.037 -0.363 0.000 0.716 227 A CB -0.505 18.193 19.000 -0.503 0.000 0.794 227 A HN 0.217 nan 8.150 nan 0.000 0.465 228 F N -1.858 118.122 119.950 0.051 0.000 2.728 228 F HA 0.396 4.923 4.527 0.001 0.000 0.314 228 F C 1.677 177.477 175.800 0.000 0.000 1.094 228 F CA -0.171 57.806 58.000 -0.037 0.000 1.217 228 F CB -0.141 38.782 39.000 -0.128 0.000 1.056 228 F HN 0.246 nan 8.300 nan 0.000 0.577 229 G N 2.139 111.038 108.800 0.165 0.000 2.176 229 G HA2 -0.292 3.669 3.960 0.001 0.000 0.252 229 G HA3 -0.292 3.669 3.960 0.001 0.000 0.252 229 G C 0.201 175.186 174.900 0.142 0.000 1.024 229 G CA 0.501 45.683 45.100 0.137 0.000 0.755 229 G HN 0.533 nan 8.290 nan 0.000 0.507 230 I N -2.753 117.922 120.570 0.176 0.000 2.910 230 I HA 0.826 4.997 4.170 0.001 0.000 0.310 230 I C -2.175 173.992 176.117 0.083 0.000 1.043 230 I CA -3.272 58.103 61.300 0.124 0.000 1.053 230 I CB 2.119 40.191 38.000 0.119 0.000 1.242 230 I HN -0.093 nan 8.210 nan 0.000 0.452 231 P HA 0.235 nan 4.420 nan 0.000 0.275 231 P C -0.447 176.509 177.300 -0.572 0.000 1.227 231 P CA 0.165 63.073 63.100 -0.321 0.000 0.781 231 P CB 1.068 32.606 31.700 -0.270 0.000 0.906 232 G N 1.887 109.948 108.800 -1.231 0.000 2.513 232 G HA2 0.597 4.558 3.960 0.001 0.000 0.317 232 G HA3 0.597 4.558 3.960 0.001 0.000 0.317 232 G C -1.869 172.294 174.900 -1.227 0.000 1.277 232 G CA -0.408 44.099 45.100 -0.988 0.000 0.955 232 G HN 0.329 nan 8.290 nan 0.000 0.484 233 Y N 0.684 120.811 120.300 -0.288 0.000 2.391 233 Y HA 0.509 5.059 4.550 0.001 0.000 0.341 233 Y C -0.296 175.543 175.900 -0.103 0.000 0.965 233 Y CA -1.019 56.959 58.100 -0.202 0.000 1.067 233 Y CB 2.602 40.965 38.460 -0.162 0.000 1.199 233 Y HN 0.475 nan 8.280 nan 0.000 0.450 234 L N 4.721 125.988 121.223 0.074 0.000 2.265 234 L HA 0.783 5.124 4.340 0.001 0.000 0.289 234 L C -1.182 175.722 176.870 0.057 0.000 1.033 234 L CA -0.503 54.378 54.840 0.069 0.000 0.814 234 L CB 0.636 42.744 42.059 0.082 0.000 1.203 234 L HN 0.462 nan 8.230 nan 0.000 0.423 235 V N 3.094 123.026 119.914 0.030 0.000 2.914 235 V HA 0.385 4.506 4.120 0.001 0.000 0.314 235 V C -0.701 175.411 176.094 0.030 0.000 1.084 235 V CA -0.935 61.363 62.300 -0.003 0.000 0.963 235 V CB 1.993 33.773 31.823 -0.071 0.000 1.025 235 V HN 0.654 nan 8.190 nan 0.000 0.432 236 D N 2.400 122.822 120.400 0.036 0.000 2.359 236 D HA 0.198 4.839 4.640 0.001 0.000 0.250 236 D C 1.234 177.567 176.300 0.055 0.000 1.264 236 D CA 0.320 54.368 54.000 0.080 0.000 0.911 236 D CB 1.279 42.120 40.800 0.069 0.000 1.056 236 D HN 0.722 nan 8.370 nan 0.000 0.499 237 G N 3.429 112.266 108.800 0.061 0.000 2.776 237 G HA2 -0.135 3.826 3.960 0.001 0.000 0.209 237 G HA3 -0.135 3.826 3.960 0.001 0.000 0.209 237 G C 1.111 176.031 174.900 0.034 0.000 1.145 237 G CA 0.141 45.247 45.100 0.011 0.000 0.791 237 G HN 0.450 nan 8.290 nan 0.000 0.530 238 M N 0.468 120.126 119.600 0.096 0.000 2.428 238 M HA 0.203 4.684 4.480 0.001 0.000 0.239 238 M C -0.129 176.212 176.300 0.068 0.000 1.121 238 M CA -0.094 55.271 55.300 0.109 0.000 1.019 238 M CB 0.258 32.968 32.600 0.184 0.000 1.485 238 M HN 0.009 nan 8.290 nan 0.000 0.484 239 D N 1.449 121.871 120.400 0.037 0.000 2.454 239 D HA 0.121 4.762 4.640 0.001 0.000 0.225 239 D C 0.860 177.131 176.300 -0.048 0.000 1.081 239 D CA -0.121 53.883 54.000 0.006 0.000 0.864 239 D CB 1.970 42.778 40.800 0.014 0.000 1.040 239 D HN -0.088 nan 8.370 nan 0.000 0.517 240 V N 5.118 124.951 119.914 -0.135 0.000 2.490 240 V HA -0.184 3.937 4.120 0.001 0.000 0.250 240 V C 2.093 178.075 176.094 -0.186 0.000 1.061 240 V CA 1.524 63.689 62.300 -0.225 0.000 1.064 240 V CB -0.185 31.355 31.823 -0.472 0.000 0.670 240 V HN 0.601 nan 8.190 nan 0.000 0.461 241 L N -0.293 120.831 121.223 -0.166 0.000 2.072 241 L HA -0.000 4.340 4.340 0.001 0.000 0.205 241 L C 2.779 179.807 176.870 0.264 0.000 1.079 241 L CA 1.383 56.269 54.840 0.076 0.000 0.752 241 L CB -0.891 41.263 42.059 0.160 0.000 0.906 241 L HN 0.390 nan 8.230 nan 0.000 0.436 242 A N -0.289 122.601 122.820 0.117 0.000 1.902 242 A HA -0.185 4.136 4.320 0.001 0.000 0.217 242 A C 2.516 180.081 177.584 -0.032 0.000 1.181 242 A CA 2.098 54.167 52.037 0.053 0.000 0.623 242 A CB -0.602 18.387 19.000 -0.018 0.000 0.818 242 A HN 0.362 nan 8.150 nan 0.000 0.443 243 S N -1.608 114.078 115.700 -0.023 0.000 2.356 243 S HA -0.168 4.303 4.470 0.001 0.000 0.223 243 S C 1.853 176.431 174.600 -0.038 0.000 1.032 243 S CA 1.521 59.690 58.200 -0.053 0.000 1.005 243 S CB -0.600 62.579 63.200 -0.034 0.000 0.867 243 S HN 0.709 nan 8.310 nan 0.000 0.449 244 Y N 1.136 121.371 120.300 -0.108 0.000 2.114 244 Y HA -0.237 4.313 4.550 0.001 0.000 0.284 244 Y C 2.066 177.891 175.900 -0.125 0.000 1.143 244 Y CA 1.502 59.515 58.100 -0.146 0.000 1.135 244 Y CB -0.697 37.616 38.460 -0.245 0.000 0.980 244 Y HN 0.196 nan 8.280 nan 0.000 0.499 245 Y N -0.655 119.644 120.300 -0.002 0.000 2.224 245 Y HA -0.204 4.347 4.550 0.001 0.000 0.289 245 Y C 2.585 178.391 175.900 -0.156 0.000 1.146 245 Y CA 1.696 59.789 58.100 -0.011 0.000 1.182 245 Y CB -0.823 37.916 38.460 0.466 0.000 0.983 245 Y HN 0.021 nan 8.280 nan 0.000 0.524 246 V N -1.360 118.371 119.914 -0.305 0.000 2.358 246 V HA -0.239 3.882 4.120 0.001 0.000 0.246 246 V C 2.205 178.076 176.094 -0.370 0.000 1.047 246 V CA 1.526 63.466 62.300 -0.600 0.000 1.035 246 V CB -0.836 30.533 31.823 -0.756 0.000 0.658 246 V HN 0.200 nan 8.190 nan 0.000 0.452 247 V N 0.167 119.914 119.914 -0.280 0.000 2.358 247 V HA -0.270 3.850 4.120 0.001 0.000 0.246 247 V C 2.450 178.414 176.094 -0.216 0.000 1.047 247 V CA 2.309 64.480 62.300 -0.214 0.000 1.035 247 V CB -0.683 31.042 31.823 -0.163 0.000 0.658 247 V HN 0.550 nan 8.190 nan 0.000 0.452 248 K N 0.790 121.004 120.400 -0.309 0.000 2.063 248 K HA -0.251 4.070 4.320 0.001 0.000 0.208 248 K C 2.167 178.683 176.600 -0.140 0.000 1.048 248 K CA 2.134 58.243 56.287 -0.297 0.000 0.928 248 K CB -0.349 31.813 32.500 -0.562 0.000 0.713 248 K HN 0.567 nan 8.250 nan 0.000 0.442 249 E N -0.577 119.568 120.200 -0.091 0.000 2.110 249 E HA -0.196 4.154 4.350 0.001 0.000 0.193 249 E C 1.743 178.307 176.600 -0.061 0.000 0.988 249 E CA 1.098 57.479 56.400 -0.031 0.000 0.804 249 E CB -0.199 29.529 29.700 0.047 0.000 0.745 249 E HN 0.434 nan 8.360 nan 0.000 0.458 250 A N 0.500 123.252 122.820 -0.112 0.000 1.930 250 A HA -0.107 4.214 4.320 0.001 0.000 0.217 250 A C 2.378 179.932 177.584 -0.050 0.000 1.175 250 A CA 1.271 53.271 52.037 -0.062 0.000 0.627 250 A CB -0.531 18.428 19.000 -0.068 0.000 0.815 250 A HN 0.225 nan 8.150 nan 0.000 0.443 251 V N 0.276 120.148 119.914 -0.069 0.000 2.343 251 V HA -0.263 3.858 4.120 0.001 0.000 0.247 251 V C 2.386 178.464 176.094 -0.026 0.000 1.051 251 V CA 2.268 64.537 62.300 -0.053 0.000 1.036 251 V CB -0.835 30.956 31.823 -0.053 0.000 0.654 251 V HN 0.649 nan 8.190 nan 0.000 0.451 252 E N -0.047 120.140 120.200 -0.021 0.000 2.106 252 E HA -0.247 4.104 4.350 0.001 0.000 0.192 252 E C 2.386 178.987 176.600 0.002 0.000 0.984 252 E CA 1.187 57.587 56.400 0.000 0.000 0.806 252 E CB -0.230 29.473 29.700 0.004 0.000 0.750 252 E HN 0.494 nan 8.360 nan 0.000 0.458 253 R N 1.082 121.581 120.500 -0.002 0.000 2.073 253 R HA -0.149 4.192 4.340 0.001 0.000 0.234 253 R C 2.266 178.563 176.300 -0.005 0.000 1.134 253 R CA 1.452 57.556 56.100 0.006 0.000 0.952 253 R CB -0.226 30.088 30.300 0.024 0.000 0.850 253 R HN 0.145 nan 8.270 nan 0.000 0.433 254 A N 0.977 123.785 122.820 -0.021 0.000 1.902 254 A HA -0.141 4.180 4.320 0.001 0.000 0.217 254 A C 2.245 179.809 177.584 -0.033 0.000 1.181 254 A CA 1.343 53.355 52.037 -0.042 0.000 0.623 254 A CB -0.559 18.397 19.000 -0.074 0.000 0.818 254 A HN 0.377 nan 8.150 nan 0.000 0.443 255 R N -0.104 120.388 120.500 -0.014 0.000 2.120 255 R HA -0.133 4.207 4.340 0.001 0.000 0.234 255 R C 2.109 178.415 176.300 0.010 0.000 1.123 255 R CA 1.544 57.649 56.100 0.009 0.000 0.975 255 R CB -0.160 30.163 30.300 0.039 0.000 0.866 255 R HN 0.711 nan 8.270 nan 0.000 0.446 256 R N -1.038 119.465 120.500 0.006 0.000 2.320 256 R HA 0.110 4.450 4.340 0.001 0.000 0.211 256 R C 0.676 176.975 176.300 -0.002 0.000 0.931 256 R CA 0.784 56.888 56.100 0.007 0.000 1.071 256 R CB 0.318 30.624 30.300 0.010 0.000 1.025 256 R HN 0.187 nan 8.270 nan 0.000 0.495 257 G N 1.145 109.938 108.800 -0.013 0.000 2.132 257 G HA2 -0.273 3.687 3.960 0.001 0.000 0.234 257 G HA3 -0.273 3.687 3.960 0.001 0.000 0.234 257 G C 0.188 175.076 174.900 -0.020 0.000 0.989 257 G CA 0.306 45.393 45.100 -0.022 0.000 0.676 257 G HN 0.557 nan 8.290 nan 0.000 0.522 258 E N 0.111 120.304 120.200 -0.012 0.000 2.476 258 E HA 0.422 4.772 4.350 0.001 0.000 0.191 258 E C 1.498 178.094 176.600 -0.006 0.000 1.064 258 E CA 0.331 56.730 56.400 -0.003 0.000 0.866 258 E CB 0.270 29.976 29.700 0.010 0.000 0.952 258 E HN 1.553 nan 8.360 nan 0.000 0.492 259 G N 2.413 111.198 108.800 -0.026 0.000 2.710 259 G HA2 -0.184 3.777 3.960 0.001 0.000 0.668 259 G HA3 -0.184 3.777 3.960 0.001 0.000 0.668 259 G C -2.809 172.075 174.900 -0.026 0.000 1.320 259 G CA -0.859 44.220 45.100 -0.034 0.000 0.860 259 G HN -0.041 nan 8.290 nan 0.000 0.538 260 P HA 0.555 nan 4.420 nan 0.000 0.275 260 P C -0.339 176.999 177.300 0.063 0.000 1.266 260 P CA -0.093 63.011 63.100 0.006 0.000 0.793 260 P CB 1.429 33.178 31.700 0.082 0.000 1.074 261 S N -0.639 115.122 115.700 0.101 0.000 2.588 261 S HA 0.534 5.005 4.470 0.001 0.000 0.275 261 S C -1.141 173.586 174.600 0.213 0.000 1.130 261 S CA -0.449 57.842 58.200 0.152 0.000 0.855 261 S CB 1.200 64.527 63.200 0.211 0.000 1.116 261 S HN 0.419 nan 8.310 nan 0.000 0.472 262 L N 2.550 123.895 121.223 0.203 0.000 2.343 262 L HA 0.714 5.054 4.340 0.001 0.000 0.278 262 L C -1.529 175.478 176.870 0.228 0.000 0.996 262 L CA -0.402 54.600 54.840 0.270 0.000 0.831 262 L CB 1.136 43.374 42.059 0.298 0.000 1.232 262 L HN 0.456 nan 8.230 nan 0.000 0.413 263 V N 4.787 124.829 119.914 0.213 0.000 2.384 263 V HA 0.433 4.554 4.120 0.001 0.000 0.287 263 V C -0.074 176.073 176.094 0.088 0.000 1.020 263 V CA -0.651 61.739 62.300 0.150 0.000 0.850 263 V CB 1.464 33.319 31.823 0.054 0.000 0.987 263 V HN 0.769 nan 8.190 nan 0.000 0.436 264 E N 5.284 125.532 120.200 0.079 0.000 2.115 264 E HA 0.466 4.817 4.350 0.001 0.000 0.282 264 E C -1.271 175.319 176.600 -0.018 0.000 0.987 264 E CA -0.559 55.862 56.400 0.035 0.000 0.797 264 E CB 1.011 30.745 29.700 0.056 0.000 1.086 264 E HN 0.638 nan 8.360 nan 0.000 0.397 265 L N 5.929 127.111 121.223 -0.069 0.000 2.277 265 L HA 0.429 4.770 4.340 0.001 0.000 0.284 265 L C 0.281 177.076 176.870 -0.126 0.000 1.028 265 L CA -0.665 54.126 54.840 -0.080 0.000 0.835 265 L CB 0.947 42.950 42.059 -0.094 0.000 1.215 265 L HN 0.378 nan 8.230 nan 0.000 0.425 266 R N 3.505 123.969 120.500 -0.060 0.000 2.296 266 R HA 0.387 4.727 4.340 0.001 0.000 0.323 266 R C -0.134 176.163 176.300 -0.005 0.000 1.067 266 R CA -0.194 55.861 56.100 -0.075 0.000 0.946 266 R CB 0.955 31.375 30.300 0.200 0.000 0.991 266 R HN 0.532 nan 8.270 nan 0.000 0.448 267 V N 0.624 120.408 119.914 -0.217 0.000 3.105 267 V HA 0.635 4.756 4.120 0.001 0.000 0.311 267 V C -1.353 174.616 176.094 -0.207 0.000 1.282 267 V CA -1.035 61.163 62.300 -0.169 0.000 1.065 267 V CB 1.843 33.388 31.823 -0.464 0.000 1.136 267 V HN 0.634 nan 8.190 nan 0.000 0.469 268 Y N -0.066 120.034 120.300 -0.333 0.000 2.504 268 Y HA 0.639 5.190 4.550 0.001 0.000 0.344 268 Y C -0.121 175.627 175.900 -0.253 0.000 1.023 268 Y CA -0.849 57.069 58.100 -0.304 0.000 1.020 268 Y CB 2.075 40.406 38.460 -0.215 0.000 1.282 268 Y HN 0.830 nan 8.280 nan 0.000 0.454 269 R N 4.654 124.884 120.500 -0.451 0.000 2.296 269 R HA 0.149 4.490 4.340 0.001 0.000 0.327 269 R C -0.349 175.957 176.300 0.011 0.000 1.137 269 R CA -0.043 55.986 56.100 -0.117 0.000 1.020 269 R CB 0.099 30.366 30.300 -0.055 0.000 1.110 269 R HN 0.839 nan 8.270 nan 0.000 0.499 270 Y N 2.001 122.442 120.300 0.234 0.000 2.242 270 Y HA -0.007 4.544 4.550 0.001 0.000 0.291 270 Y C 1.752 177.735 175.900 0.140 0.000 1.137 270 Y CA 1.142 59.396 58.100 0.257 0.000 1.181 270 Y CB -0.419 38.173 38.460 0.220 0.000 0.989 270 Y HN 0.593 nan 8.280 nan 0.000 0.527 271 G N 0.248 109.189 108.800 0.234 0.000 2.543 271 G HA2 0.374 4.335 3.960 0.001 0.000 0.290 271 G HA3 0.374 4.335 3.960 0.001 0.000 0.290 271 G C -2.405 172.536 174.900 0.069 0.000 1.310 271 G CA -1.208 43.965 45.100 0.123 0.000 1.025 271 G HN -0.088 nan 8.290 nan 0.000 0.502 272 P HA 0.045 nan 4.420 nan 0.000 0.275 272 P C 0.219 177.567 177.300 0.080 0.000 1.266 272 P CA -0.091 63.034 63.100 0.042 0.000 0.793 272 P CB 0.969 32.683 31.700 0.024 0.000 1.074 273 H N 0.157 119.279 119.070 0.087 0.000 2.319 273 H HA -0.099 4.458 4.556 0.001 0.000 0.297 273 H C 0.617 175.979 175.328 0.057 0.000 1.097 273 H CA 2.242 58.355 56.048 0.109 0.000 1.285 273 H CB -0.141 29.713 29.762 0.153 0.000 1.368 273 H HN 0.548 nan 8.280 nan 0.000 0.495 274 S N -2.591 113.035 115.700 -0.122 0.000 2.636 274 S HA 0.234 4.704 4.470 0.001 0.000 0.268 274 S C 1.010 175.504 174.600 -0.177 0.000 1.159 274 S CA -0.287 57.727 58.200 -0.310 0.000 0.815 274 S CB 0.768 63.761 63.200 -0.345 0.000 1.130 274 S HN 0.382 nan 8.310 nan 0.000 0.471 275 S N 0.039 115.548 115.700 -0.318 0.000 2.500 275 S HA 0.084 4.555 4.470 0.001 0.000 0.239 275 S C 1.450 176.041 174.600 -0.015 0.000 0.989 275 S CA 0.654 58.763 58.200 -0.152 0.000 0.951 275 S CB -0.703 62.383 63.200 -0.191 0.000 0.759 275 S HN 1.383 nan 8.310 nan 0.000 0.523 276 A N 0.376 123.235 122.820 0.065 0.000 2.308 276 A HA 0.401 4.722 4.320 0.001 0.000 0.217 276 A C 0.591 178.258 177.584 0.138 0.000 1.216 276 A CA 0.097 52.218 52.037 0.141 0.000 0.864 276 A CB -0.106 19.038 19.000 0.241 0.000 0.902 276 A HN 0.534 nan 8.150 nan 0.000 0.499 277 D N -1.150 119.331 120.400 0.134 0.000 2.592 277 D HA 0.548 5.189 4.640 0.001 0.000 0.259 277 D C -0.658 175.703 176.300 0.102 0.000 1.144 277 D CA 0.668 54.767 54.000 0.165 0.000 1.080 277 D CB 1.548 42.513 40.800 0.274 0.000 1.225 277 D HN 0.052 nan 8.370 nan 0.000 0.619 278 D N -1.446 119.016 120.400 0.104 0.000 2.337 278 D HA 0.471 5.112 4.640 0.001 0.000 0.238 278 D C 0.376 176.568 176.300 -0.179 0.000 1.331 278 D CA 0.219 54.216 54.000 -0.005 0.000 0.967 278 D CB -0.005 40.797 40.800 0.003 0.000 1.382 278 D HN 0.445 nan 8.370 nan 0.000 0.549 279 D N -0.153 120.094 120.400 -0.255 0.000 2.144 279 D HA 0.160 4.800 4.640 0.001 0.000 0.200 279 D C 2.115 178.034 176.300 -0.634 0.000 0.978 279 D CA 1.707 55.333 54.000 -0.623 0.000 0.833 279 D CB -0.442 40.193 40.800 -0.274 0.000 0.961 279 D HN 1.030 nan 8.370 nan 0.000 0.470 280 S N -1.105 114.415 115.700 -0.300 0.000 3.054 280 S HA 0.431 4.902 4.470 0.001 0.000 0.243 280 S C 1.853 176.342 174.600 -0.184 0.000 1.013 280 S CA 1.266 59.352 58.200 -0.190 0.000 1.119 280 S CB -0.757 62.390 63.200 -0.088 0.000 0.838 280 S HN 0.797 nan 8.310 nan 0.000 0.505 281 R N -0.166 120.147 120.500 -0.312 0.000 2.470 281 R HA 0.360 4.700 4.340 0.001 0.000 0.210 281 R C 1.297 177.557 176.300 -0.068 0.000 0.873 281 R CA 1.065 57.076 56.100 -0.148 0.000 1.015 281 R CB -0.645 29.616 30.300 -0.065 0.000 1.348 281 R HN 0.953 nan 8.270 nan 0.000 0.650 282 Y N -1.120 119.181 120.300 0.003 0.000 2.527 282 Y HA 0.587 5.138 4.550 0.001 0.000 0.247 282 Y C 0.317 176.237 175.900 0.033 0.000 1.138 282 Y CA -1.157 56.953 58.100 0.017 0.000 1.228 282 Y CB 0.149 38.616 38.460 0.012 0.000 1.252 282 Y HN -0.006 nan 8.280 nan 0.000 0.531 283 R N 2.908 123.370 120.500 -0.063 0.000 2.534 283 R HA 0.408 4.749 4.340 0.001 0.000 0.301 283 R C -2.827 173.516 176.300 0.072 0.000 0.961 283 R CA -1.957 54.176 56.100 0.055 0.000 0.871 283 R CB 1.456 31.704 30.300 -0.086 0.000 1.170 283 R HN 0.016 nan 8.270 nan 0.000 0.446 284 P HA 0.065 nan 4.420 nan 0.000 0.271 284 P C -0.320 177.049 177.300 0.116 0.000 1.233 284 P CA -0.130 63.038 63.100 0.112 0.000 0.764 284 P CB 0.942 32.716 31.700 0.123 0.000 0.825 285 K N 2.324 122.773 120.400 0.082 0.000 2.173 285 K HA -0.204 4.117 4.320 0.001 0.000 0.207 285 K C 1.619 178.283 176.600 0.106 0.000 1.046 285 K CA 1.676 58.013 56.287 0.083 0.000 0.929 285 K CB -0.017 32.516 32.500 0.055 0.000 0.720 285 K HN 0.557 nan 8.250 nan 0.000 0.453 286 E N 0.571 120.833 120.200 0.102 0.000 2.150 286 E HA -0.197 4.154 4.350 0.001 0.000 0.193 286 E C 2.023 178.719 176.600 0.160 0.000 0.985 286 E CA 0.793 57.259 56.400 0.111 0.000 0.814 286 E CB 0.088 29.834 29.700 0.078 0.000 0.752 286 E HN 0.355 nan 8.360 nan 0.000 0.466 287 E N 0.527 120.834 120.200 0.178 0.000 2.046 287 E HA -0.138 4.212 4.350 0.001 0.000 0.190 287 E C 2.142 178.907 176.600 0.276 0.000 0.982 287 E CA 0.822 57.371 56.400 0.249 0.000 0.800 287 E CB 0.267 30.140 29.700 0.288 0.000 0.756 287 E HN 0.033 nan 8.360 nan 0.000 0.449 288 V N 1.506 121.566 119.914 0.244 0.000 2.295 288 V HA -0.282 3.838 4.120 0.001 0.000 0.246 288 V C 2.497 178.699 176.094 0.180 0.000 1.049 288 V CA 1.896 64.339 62.300 0.238 0.000 1.024 288 V CB -0.873 31.116 31.823 0.277 0.000 0.648 288 V HN 0.411 nan 8.190 nan 0.000 0.447 289 A N -0.405 122.505 122.820 0.151 0.000 1.902 289 A HA -0.258 4.063 4.320 0.001 0.000 0.217 289 A C 2.132 179.772 177.584 0.093 0.000 1.181 289 A CA 2.110 54.203 52.037 0.094 0.000 0.623 289 A CB -0.776 18.273 19.000 0.081 0.000 0.818 289 A HN 0.535 nan 8.150 nan 0.000 0.443 290 F N -0.995 118.953 119.950 -0.004 0.000 2.095 290 F HA -0.207 4.321 4.527 0.001 0.000 0.298 290 F C 1.860 177.558 175.800 -0.170 0.000 1.104 290 F CA 1.926 59.872 58.000 -0.090 0.000 1.232 290 F CB -0.348 38.594 39.000 -0.097 0.000 0.987 290 F HN 0.374 nan 8.300 nan 0.000 0.475 291 W N 0.290 121.590 121.300 0.001 0.000 2.678 291 W HA 0.044 4.705 4.660 0.001 0.000 0.256 291 W C 2.382 178.971 176.519 0.117 0.000 1.280 291 W CA 0.286 57.590 57.345 -0.068 0.000 1.345 291 W CB -0.316 28.849 29.460 -0.492 0.000 1.118 291 W HN -0.227 nan 8.180 nan 0.000 0.629 292 R N 0.845 121.460 120.500 0.191 0.000 2.115 292 R HA -0.085 4.255 4.340 0.001 0.000 0.230 292 R C 1.546 177.806 176.300 -0.067 0.000 1.111 292 R CA 1.057 57.114 56.100 -0.072 0.000 0.976 292 R CB -0.417 29.770 30.300 -0.189 0.000 0.870 292 R HN 0.261 nan 8.270 nan 0.000 0.445 293 K N 0.281 120.609 120.400 -0.120 0.000 2.504 293 K HA -0.050 4.270 4.320 0.001 0.000 0.195 293 K C 1.174 177.688 176.600 -0.144 0.000 1.036 293 K CA 0.744 56.932 56.287 -0.165 0.000 0.984 293 K CB 0.147 32.484 32.500 -0.272 0.000 0.788 293 K HN 0.073 nan 8.250 nan 0.000 0.488 294 K N 1.144 121.497 120.400 -0.079 0.000 2.397 294 K HA 0.024 4.345 4.320 0.001 0.000 0.202 294 K C -0.193 176.508 176.600 0.168 0.000 1.022 294 K CA -0.212 56.062 56.287 -0.021 0.000 1.141 294 K CB 0.279 32.714 32.500 -0.108 0.000 0.857 294 K HN 0.044 nan 8.250 nan 0.000 0.514 295 D N 2.928 123.460 120.400 0.220 0.000 2.581 295 D HA -0.068 4.573 4.640 0.001 0.000 0.238 295 D C -1.213 175.209 176.300 0.203 0.000 1.145 295 D CA -1.157 53.020 54.000 0.295 0.000 0.866 295 D CB 1.127 42.031 40.800 0.172 0.000 1.151 295 D HN 0.061 nan 8.370 nan 0.000 0.500 296 P HA -0.133 nan 4.420 nan 0.000 0.220 296 P C 1.892 179.310 177.300 0.197 0.000 1.148 296 P CA 0.742 63.941 63.100 0.165 0.000 0.803 296 P CB 0.402 32.178 31.700 0.127 0.000 0.782 297 I N 0.687 121.371 120.570 0.190 0.000 2.133 297 I HA -0.130 4.041 4.170 0.001 0.000 0.238 297 I C -0.413 175.857 176.117 0.255 0.000 1.074 297 I CA 1.677 63.111 61.300 0.224 0.000 1.342 297 I CB -2.009 36.065 38.000 0.124 0.000 1.053 297 I HN -0.007 nan 8.210 nan 0.000 0.404 298 P HA -0.155 nan 4.420 nan 0.000 0.218 298 P C 1.493 178.817 177.300 0.040 0.000 1.149 298 P CA 1.295 64.424 63.100 0.047 0.000 0.817 298 P CB -0.103 31.607 31.700 0.016 0.000 0.785 299 R N -1.256 119.309 120.500 0.108 0.000 2.073 299 R HA -0.143 4.198 4.340 0.001 0.000 0.234 299 R C 2.029 178.456 176.300 0.211 0.000 1.134 299 R CA 1.389 57.565 56.100 0.126 0.000 0.952 299 R CB -0.862 29.517 30.300 0.131 0.000 0.850 299 R HN 0.068 nan 8.270 nan 0.000 0.433 300 F N 1.595 121.598 119.950 0.087 0.000 2.367 300 F HA 0.031 4.558 4.527 0.001 0.000 0.298 300 F C 2.371 178.186 175.800 0.025 0.000 1.094 300 F CA 1.083 59.147 58.000 0.108 0.000 1.409 300 F CB -0.299 38.796 39.000 0.158 0.000 1.064 300 F HN -0.047 nan 8.300 nan 0.000 0.528 301 R N 0.463 120.873 120.500 -0.150 0.000 2.083 301 R HA -0.164 4.177 4.340 0.001 0.000 0.237 301 R C 2.371 178.333 176.300 -0.564 0.000 1.137 301 R CA 1.730 57.416 56.100 -0.689 0.000 0.951 301 R CB -0.261 29.609 30.300 -0.717 0.000 0.851 301 R HN 0.214 nan 8.270 nan 0.000 0.434 302 R N -0.645 119.681 120.500 -0.291 0.000 2.096 302 R HA -0.167 4.173 4.340 0.001 0.000 0.235 302 R C 2.220 178.453 176.300 -0.110 0.000 1.127 302 R CA 1.623 57.611 56.100 -0.186 0.000 0.968 302 R CB -0.478 29.775 30.300 -0.078 0.000 0.861 302 R HN 0.269 nan 8.270 nan 0.000 0.440 303 F N 1.487 121.323 119.950 -0.190 0.000 2.134 303 F HA -0.138 4.390 4.527 0.001 0.000 0.299 303 F C 1.930 177.588 175.800 -0.236 0.000 1.097 303 F CA 1.371 59.291 58.000 -0.134 0.000 1.264 303 F CB -0.041 38.958 39.000 -0.001 0.000 1.001 303 F HN -0.108 nan 8.300 nan 0.000 0.479 304 L N -0.135 120.947 121.223 -0.234 0.000 2.072 304 L HA -0.167 4.174 4.340 0.001 0.000 0.205 304 L C 2.467 179.247 176.870 -0.149 0.000 1.079 304 L CA 1.740 56.429 54.840 -0.252 0.000 0.752 304 L CB -0.907 40.935 42.059 -0.362 0.000 0.906 304 L HN 0.196 nan 8.230 nan 0.000 0.436 305 E N 0.852 120.980 120.200 -0.120 0.000 2.118 305 E HA -0.244 4.106 4.350 0.001 0.000 0.195 305 E C 2.057 178.628 176.600 -0.048 0.000 0.992 305 E CA 1.216 57.633 56.400 0.028 0.000 0.804 305 E CB 0.015 29.714 29.700 -0.001 0.000 0.741 305 E HN 0.445 nan 8.360 nan 0.000 0.458 306 A N 0.548 123.286 122.820 -0.137 0.000 2.216 306 A HA -0.043 4.278 4.320 0.001 0.000 0.214 306 A C 1.644 179.121 177.584 -0.179 0.000 1.160 306 A CA 0.660 52.606 52.037 -0.153 0.000 0.725 306 A CB -0.113 18.770 19.000 -0.196 0.000 0.784 306 A HN 0.158 nan 8.150 nan 0.000 0.472 307 R N -1.724 118.659 120.500 -0.195 0.000 2.596 307 R HA 0.285 4.626 4.340 0.001 0.000 0.369 307 R C 0.919 177.141 176.300 -0.131 0.000 1.042 307 R CA 0.353 56.342 56.100 -0.185 0.000 1.120 307 R CB 0.312 30.461 30.300 -0.252 0.000 1.353 307 R HN 0.507 nan 8.270 nan 0.000 0.564 308 G N 1.293 110.036 108.800 -0.094 0.000 2.225 308 G HA2 -0.243 3.717 3.960 0.001 0.000 0.267 308 G HA3 -0.243 3.717 3.960 0.001 0.000 0.267 308 G C 0.268 175.101 174.900 -0.112 0.000 1.024 308 G CA 0.011 45.062 45.100 -0.081 0.000 0.784 308 G HN 0.180 nan 8.290 nan 0.000 0.507 309 L N -1.661 119.495 121.223 -0.112 0.000 2.769 309 L HA 0.584 4.925 4.340 0.001 0.000 0.240 309 L C 0.256 177.029 176.870 -0.162 0.000 1.163 309 L CA -0.489 54.244 54.840 -0.178 0.000 0.962 309 L CB -0.467 41.489 42.059 -0.171 0.000 1.258 309 L HN 0.495 nan 8.230 nan 0.000 0.513 310 W N 0.528 121.682 121.300 -0.244 0.000 3.363 310 W HA 0.456 5.116 4.660 0.001 0.000 0.306 310 W C -1.303 175.197 176.519 -0.031 0.000 1.253 310 W CA -0.813 56.460 57.345 -0.119 0.000 1.195 310 W CB 1.176 30.548 29.460 -0.146 0.000 1.366 310 W HN 0.152 nan 8.180 nan 0.000 0.551 311 N N 2.023 120.066 118.700 -1.094 0.000 2.823 311 N HA 0.261 5.002 4.740 0.001 0.000 0.251 311 N C 0.054 174.660 175.510 -1.507 0.000 1.392 311 N CA -0.647 51.737 53.050 -1.109 0.000 0.864 311 N CB 1.287 39.520 38.487 -0.423 0.000 1.481 311 N HN 0.334 nan 8.380 nan 0.000 0.508 312 E N 0.430 120.064 120.200 -0.944 0.000 2.085 312 E HA -0.246 4.105 4.350 0.001 0.000 0.194 312 E C 0.969 177.408 176.600 -0.269 0.000 0.994 312 E CA 1.383 57.504 56.400 -0.465 0.000 0.801 312 E CB -0.074 29.540 29.700 -0.142 0.000 0.743 312 E HN 0.847 nan 8.360 nan 0.000 0.453 313 E N -0.518 119.555 120.200 -0.212 0.000 2.058 313 E HA -0.206 4.145 4.350 0.001 0.000 0.194 313 E C 1.924 178.494 176.600 -0.049 0.000 0.997 313 E CA 1.312 57.653 56.400 -0.099 0.000 0.801 313 E CB -0.265 29.393 29.700 -0.070 0.000 0.746 313 E HN 0.264 nan 8.360 nan 0.000 0.450 314 W N 1.972 123.106 121.300 -0.277 0.000 2.358 314 W HA -0.188 4.472 4.660 0.001 0.000 0.303 314 W C 2.153 178.604 176.519 -0.113 0.000 1.208 314 W CA 1.966 59.192 57.345 -0.198 0.000 1.274 314 W CB -0.501 28.807 29.460 -0.252 0.000 1.138 314 W HN 0.157 nan 8.180 nan 0.000 0.515 315 E N 0.566 120.637 120.200 -0.215 0.000 2.049 315 E HA -0.293 4.058 4.350 0.001 0.000 0.198 315 E C 1.923 178.450 176.600 -0.122 0.000 1.007 315 E CA 2.645 58.986 56.400 -0.099 0.000 0.809 315 E CB -0.544 29.273 29.700 0.194 0.000 0.749 315 E HN 0.481 nan 8.360 nan 0.000 0.450 316 E N -0.114 120.035 120.200 -0.084 0.000 2.077 316 E HA -0.188 4.163 4.350 0.001 0.000 0.193 316 E C 1.902 178.448 176.600 -0.091 0.000 0.989 316 E CA 1.238 57.601 56.400 -0.062 0.000 0.800 316 E CB -0.154 29.524 29.700 -0.038 0.000 0.746 316 E HN 0.362 nan 8.360 nan 0.000 0.452 317 D N 0.364 120.698 120.400 -0.110 0.000 2.104 317 D HA -0.137 4.503 4.640 0.001 0.000 0.194 317 D C 2.079 178.288 176.300 -0.151 0.000 0.994 317 D CA 0.826 54.769 54.000 -0.096 0.000 0.830 317 D CB -0.342 40.433 40.800 -0.041 0.000 0.959 317 D HN -0.005 nan 8.370 nan 0.000 0.452 318 V N 0.787 120.518 119.914 -0.305 0.000 2.295 318 V HA -0.238 3.882 4.120 0.001 0.000 0.246 318 V C 2.456 178.435 176.094 -0.191 0.000 1.049 318 V CA 1.647 63.753 62.300 -0.324 0.000 1.024 318 V CB -0.361 31.096 31.823 -0.610 0.000 0.648 318 V HN 0.145 nan 8.190 nan 0.000 0.447 319 R N -0.215 120.189 120.500 -0.160 0.000 2.081 319 R HA -0.202 4.139 4.340 0.001 0.000 0.235 319 R C 2.379 178.636 176.300 -0.071 0.000 1.131 319 R CA 1.650 57.691 56.100 -0.099 0.000 0.960 319 R CB -0.292 29.970 30.300 -0.064 0.000 0.856 319 R HN 0.494 nan 8.270 nan 0.000 0.436 320 E N 1.263 121.424 120.200 -0.064 0.000 2.106 320 E HA -0.173 4.177 4.350 0.001 0.000 0.192 320 E C 1.426 178.001 176.600 -0.041 0.000 0.984 320 E CA 1.503 57.876 56.400 -0.044 0.000 0.806 320 E CB 0.078 29.757 29.700 -0.036 0.000 0.750 320 E HN 0.339 nan 8.360 nan 0.000 0.458 321 E N -0.128 120.042 120.200 -0.050 0.000 2.106 321 E HA -0.124 4.226 4.350 0.001 0.000 0.192 321 E C 2.211 178.788 176.600 -0.039 0.000 0.984 321 E CA 1.183 57.560 56.400 -0.038 0.000 0.806 321 E CB -0.137 29.541 29.700 -0.038 0.000 0.750 321 E HN 0.367 nan 8.360 nan 0.000 0.458 322 I N 1.528 122.066 120.570 -0.053 0.000 2.202 322 I HA -0.268 3.903 4.170 0.001 0.000 0.242 322 I C 2.681 178.774 176.117 -0.039 0.000 1.091 322 I CA 1.239 62.509 61.300 -0.050 0.000 1.368 322 I CB -0.320 37.639 38.000 -0.068 0.000 1.058 322 I HN 0.085 nan 8.210 nan 0.000 0.410 323 R N 1.761 122.239 120.500 -0.038 0.000 2.152 323 R HA -0.077 4.263 4.340 0.001 0.000 0.232 323 R C 2.193 178.480 176.300 -0.022 0.000 1.117 323 R CA 1.341 57.424 56.100 -0.028 0.000 0.981 323 R CB -0.703 29.582 30.300 -0.025 0.000 0.870 323 R HN 0.276 nan 8.270 nan 0.000 0.451 324 A N 1.869 124.676 122.820 -0.022 0.000 1.897 324 A HA -0.132 4.189 4.320 0.001 0.000 0.215 324 A C 1.931 179.506 177.584 -0.015 0.000 1.181 324 A CA 1.338 53.365 52.037 -0.017 0.000 0.620 324 A CB -0.287 18.704 19.000 -0.016 0.000 0.821 324 A HN 0.508 nan 8.150 nan 0.000 0.443 325 E N 0.016 120.205 120.200 -0.018 0.000 2.110 325 E HA -0.143 4.208 4.350 0.001 0.000 0.193 325 E C 1.925 178.516 176.600 -0.015 0.000 0.988 325 E CA 1.096 57.486 56.400 -0.017 0.000 0.804 325 E CB -0.318 29.370 29.700 -0.020 0.000 0.745 325 E HN 0.608 nan 8.360 nan 0.000 0.458 326 L N 1.162 122.375 121.223 -0.017 0.000 2.017 326 L HA -0.186 4.155 4.340 0.001 0.000 0.208 326 L C 2.513 179.379 176.870 -0.006 0.000 1.073 326 L CA 0.951 55.784 54.840 -0.011 0.000 0.745 326 L CB -0.325 41.726 42.059 -0.014 0.000 0.894 326 L HN 0.082 nan 8.230 nan 0.000 0.432 327 E N -0.048 120.147 120.200 -0.009 0.000 2.077 327 E HA -0.246 4.104 4.350 0.001 0.000 0.193 327 E C 2.222 178.818 176.600 -0.007 0.000 0.989 327 E CA 1.031 57.426 56.400 -0.008 0.000 0.800 327 E CB -0.190 29.505 29.700 -0.009 0.000 0.746 327 E HN 0.231 nan 8.360 nan 0.000 0.452 328 R N 0.809 121.304 120.500 -0.008 0.000 2.075 328 R HA -0.049 4.292 4.340 0.001 0.000 0.232 328 R C 2.273 178.569 176.300 -0.007 0.000 1.126 328 R CA 1.789 57.885 56.100 -0.008 0.000 0.963 328 R CB -1.121 29.174 30.300 -0.008 0.000 0.858 328 R HN 0.202 nan 8.270 nan 0.000 0.435 329 G N 0.653 109.449 108.800 -0.007 0.000 2.418 329 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 329 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 329 G C 1.304 176.202 174.900 -0.003 0.000 1.158 329 G CA 0.851 45.948 45.100 -0.005 0.000 0.771 329 G HN 0.361 nan 8.290 nan 0.000 0.545 330 L N 0.754 121.975 121.223 -0.002 0.000 2.056 330 L HA 0.116 4.456 4.340 0.001 0.000 0.207 330 L C 2.628 179.492 176.870 -0.010 0.000 1.078 330 L CA 2.379 57.216 54.840 -0.005 0.000 0.749 330 L CB -0.533 41.523 42.059 -0.004 0.000 0.901 330 L HN 0.258 nan 8.230 nan 0.000 0.433 331 K N -0.363 120.032 120.400 -0.009 0.000 2.026 331 K HA -0.222 4.099 4.320 0.001 0.000 0.208 331 K C 1.911 178.505 176.600 -0.010 0.000 1.048 331 K CA 1.997 58.278 56.287 -0.010 0.000 0.929 331 K CB -0.155 32.340 32.500 -0.009 0.000 0.713 331 K HN 0.507 nan 8.250 nan 0.000 0.439 332 E N 0.057 120.252 120.200 -0.008 0.000 2.077 332 E HA -0.196 4.155 4.350 0.001 0.000 0.193 332 E C 2.020 178.616 176.600 -0.007 0.000 0.989 332 E CA 1.080 57.476 56.400 -0.006 0.000 0.800 332 E CB -0.162 29.536 29.700 -0.005 0.000 0.746 332 E HN 0.442 nan 8.360 nan 0.000 0.452 333 A N 1.700 124.516 122.820 -0.008 0.000 1.877 333 A HA -0.259 4.062 4.320 0.001 0.000 0.216 333 A C 1.977 179.552 177.584 -0.016 0.000 1.186 333 A CA 1.627 53.658 52.037 -0.009 0.000 0.620 333 A CB -0.440 18.553 19.000 -0.011 0.000 0.822 333 A HN 0.183 nan 8.150 nan 0.000 0.443 334 E N -0.033 120.155 120.200 -0.019 0.000 2.072 334 E HA -0.217 4.134 4.350 0.001 0.000 0.191 334 E C 1.957 178.543 176.600 -0.024 0.000 0.985 334 E CA 1.295 57.681 56.400 -0.024 0.000 0.801 334 E CB -0.318 29.368 29.700 -0.023 0.000 0.750 334 E HN 0.951 nan 8.360 nan 0.000 0.452 335 E N 1.239 121.428 120.200 -0.019 0.000 2.333 335 E HA -0.106 4.245 4.350 0.001 0.000 0.198 335 E C 1.957 178.546 176.600 -0.019 0.000 1.007 335 E CA 0.805 57.194 56.400 -0.018 0.000 0.845 335 E CB -0.146 29.546 29.700 -0.013 0.000 0.766 335 E HN 0.178 nan 8.360 nan 0.000 0.507 336 A N 1.803 124.613 122.820 -0.018 0.000 1.972 336 A HA 0.158 4.479 4.320 0.001 0.000 0.219 336 A C 1.430 178.992 177.584 -0.036 0.000 1.169 336 A CA 1.259 53.287 52.037 -0.016 0.000 0.635 336 A CB -0.957 18.040 19.000 -0.005 0.000 0.810 336 A HN 0.625 nan 8.150 nan 0.000 0.446 337 G N -2.340 106.432 108.800 -0.047 0.000 2.699 337 G HA2 0.061 4.022 3.960 0.001 0.000 0.686 337 G HA3 0.061 4.022 3.960 0.001 0.000 0.686 337 G C -3.200 171.641 174.900 -0.097 0.000 1.301 337 G CA -0.514 44.544 45.100 -0.070 0.000 0.816 337 G HN 0.279 nan 8.290 nan 0.000 0.595 338 P HA 0.411 nan 4.420 nan 0.000 0.272 338 P C 0.622 177.779 177.300 -0.238 0.000 1.223 338 P CA -0.144 62.872 63.100 -0.140 0.000 0.784 338 P CB 0.888 32.515 31.700 -0.121 0.000 0.923 339 V N -0.024 119.736 119.914 -0.257 0.000 2.583 339 V HA 0.405 4.526 4.120 0.001 0.000 0.287 339 V C -2.341 173.449 176.094 -0.507 0.000 1.051 339 V CA -2.180 59.835 62.300 -0.476 0.000 1.010 339 V CB -0.174 31.513 31.823 -0.227 0.000 0.988 339 V HN 0.407 nan 8.190 nan 0.000 0.478 340 P HA 0.250 nan 4.420 nan 0.000 0.267 340 P C -2.196 174.940 177.300 -0.273 0.000 1.200 340 P CA -1.078 61.692 63.100 -0.551 0.000 0.772 340 P CB 0.033 31.284 31.700 -0.750 0.000 0.855 341 P HA -0.151 nan 4.420 nan 0.000 0.217 341 P C 0.931 178.275 177.300 0.074 0.000 1.150 341 P CA 1.346 64.432 63.100 -0.023 0.000 0.832 341 P CB 0.032 31.733 31.700 0.001 0.000 0.787 342 E N -1.549 118.734 120.200 0.138 0.000 2.209 342 E HA -0.185 4.166 4.350 0.001 0.000 0.196 342 E C 1.442 178.280 176.600 0.398 0.000 0.993 342 E CA 0.855 57.438 56.400 0.306 0.000 0.819 342 E CB -1.102 28.758 29.700 0.268 0.000 0.745 342 E HN 0.344 nan 8.360 nan 0.000 0.477 343 W N 0.694 122.014 121.300 0.032 0.000 2.424 343 W HA -0.026 4.635 4.660 0.001 0.000 0.264 343 W C 2.022 178.498 176.519 -0.071 0.000 1.229 343 W CA 0.604 57.947 57.345 -0.004 0.000 1.208 343 W CB -0.792 28.655 29.460 -0.023 0.000 1.127 343 W HN 0.204 nan 8.180 nan 0.000 0.588 344 M N -1.288 118.338 119.600 0.043 0.000 2.358 344 M HA -0.197 4.284 4.480 0.001 0.000 0.264 344 M C 0.868 176.903 176.300 -0.442 0.000 1.064 344 M CA 1.773 56.910 55.300 -0.271 0.000 1.093 344 M CB -0.379 31.927 32.600 -0.489 0.000 1.401 344 M HN -0.135 nan 8.290 nan 0.000 0.440 345 F N 0.342 120.317 119.950 0.041 0.000 2.695 345 F HA 0.289 4.817 4.527 0.001 0.000 0.303 345 F C 0.718 176.506 175.800 -0.020 0.000 1.091 345 F CA -0.311 57.689 58.000 0.000 0.000 1.300 345 F CB 0.055 39.055 39.000 0.000 0.000 1.071 345 F HN -0.022 nan 8.300 nan 0.000 0.578 346 E N 0.673 120.926 120.200 0.089 0.000 2.313 346 E HA 0.094 4.445 4.350 0.001 0.000 0.272 346 E C 0.199 176.759 176.600 -0.068 0.000 1.038 346 E CA 0.088 56.481 56.400 -0.011 0.000 0.863 346 E CB 0.607 30.226 29.700 -0.134 0.000 1.060 346 E HN 0.138 nan 8.360 nan 0.000 0.402 347 D N 0.390 120.748 120.400 -0.069 0.000 3.079 347 D HA -0.158 4.483 4.640 0.001 0.000 0.214 347 D C 1.131 177.364 176.300 -0.112 0.000 1.145 347 D CA 0.666 54.615 54.000 -0.086 0.000 0.958 347 D CB -1.400 39.327 40.800 -0.123 0.000 1.117 347 D HN 0.192 nan 8.370 nan 0.000 0.416 348 V N -1.055 118.786 119.914 -0.121 0.000 2.379 348 V HA -0.047 4.073 4.120 0.001 0.000 0.245 348 V C 1.045 176.821 176.094 -0.530 0.000 1.044 348 V CA 1.641 63.758 62.300 -0.307 0.000 1.036 348 V CB -0.147 31.523 31.823 -0.257 0.000 0.664 348 V HN 0.112 nan 8.190 nan 0.000 0.453 349 F N -2.568 117.376 119.950 -0.011 0.000 2.664 349 F HA 0.694 5.222 4.527 0.001 0.000 0.329 349 F C 1.030 176.823 175.800 -0.012 0.000 1.090 349 F CA -0.342 57.657 58.000 -0.003 0.000 0.978 349 F CB 1.154 40.155 39.000 0.001 0.000 1.378 349 F HN -0.180 nan 8.300 nan 0.000 0.495 350 A N -0.582 122.367 122.820 0.215 0.000 1.908 350 A HA -0.015 4.305 4.320 0.001 0.000 0.218 350 A C 0.436 178.069 177.584 0.083 0.000 1.181 350 A CA 1.626 53.724 52.037 0.103 0.000 0.627 350 A CB -0.373 18.677 19.000 0.084 0.000 0.818 350 A HN 0.559 nan 8.150 nan 0.000 0.445 351 E N -0.598 119.664 120.200 0.103 0.000 2.288 351 E HA 0.391 4.741 4.350 0.001 0.000 0.268 351 E C -1.224 175.419 176.600 0.071 0.000 0.885 351 E CA -0.651 55.786 56.400 0.061 0.000 0.767 351 E CB 1.337 31.055 29.700 0.029 0.000 1.220 351 E HN 0.283 nan 8.360 nan 0.000 0.427 352 K N 2.483 122.907 120.400 0.039 0.000 2.383 352 K HA 0.253 4.574 4.320 0.001 0.000 0.286 352 K C -2.149 174.408 176.600 -0.071 0.000 1.051 352 K CA -1.194 55.094 56.287 0.003 0.000 0.974 352 K CB 0.145 32.636 32.500 -0.014 0.000 0.968 352 K HN 0.127 nan 8.250 nan 0.000 0.475 353 P HA 0.005 nan 4.420 nan 0.000 0.279 353 P C 0.750 177.928 177.300 -0.204 0.000 1.282 353 P CA -0.652 62.331 63.100 -0.195 0.000 0.788 353 P CB 0.259 31.783 31.700 -0.292 0.000 1.139 354 W N 1.422 122.705 121.300 -0.028 0.000 2.318 354 W HA -0.244 4.416 4.660 0.001 0.000 0.313 354 W C 1.591 178.106 176.519 -0.007 0.000 1.221 354 W CA 1.972 59.313 57.345 -0.006 0.000 1.266 354 W CB -2.036 27.446 29.460 0.036 0.000 1.150 354 W HN 0.477 nan 8.180 nan 0.000 0.496 355 H N 0.640 119.059 119.070 -1.085 0.000 2.421 355 H HA -0.057 4.500 4.556 0.001 0.000 0.298 355 H C 2.263 177.371 175.328 -0.368 0.000 1.087 355 H CA 1.507 56.979 56.048 -0.959 0.000 1.330 355 H CB -1.060 27.868 29.762 -1.390 0.000 1.388 355 H HN 0.254 nan 8.280 nan 0.000 0.526 356 L N 0.319 121.075 121.223 -0.778 0.000 2.179 356 L HA -0.041 4.300 4.340 0.001 0.000 0.208 356 L C 2.875 179.517 176.870 -0.380 0.000 1.096 356 L CA 0.414 54.995 54.840 -0.433 0.000 0.779 356 L CB -0.258 41.618 42.059 -0.306 0.000 0.922 356 L HN 0.163 nan 8.230 nan 0.000 0.443 357 L N -0.268 120.797 121.223 -0.264 0.000 2.046 357 L HA -0.214 4.127 4.340 0.001 0.000 0.208 357 L C 2.846 179.613 176.870 -0.172 0.000 1.077 357 L CA 1.258 55.991 54.840 -0.179 0.000 0.747 357 L CB -0.510 41.514 42.059 -0.058 0.000 0.896 357 L HN 0.282 nan 8.230 nan 0.000 0.432 358 R N 0.198 120.643 120.500 -0.092 0.000 2.075 358 R HA -0.185 4.156 4.340 0.001 0.000 0.232 358 R C 2.236 178.463 176.300 -0.122 0.000 1.126 358 R CA 1.504 57.586 56.100 -0.032 0.000 0.963 358 R CB -0.113 30.255 30.300 0.114 0.000 0.858 358 R HN 0.413 nan 8.270 nan 0.000 0.435 359 Q N -0.002 119.673 119.800 -0.209 0.000 2.167 359 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 359 Q C 1.946 177.609 176.000 -0.561 0.000 0.970 359 Q CA 1.746 57.401 55.803 -0.247 0.000 0.855 359 Q CB 0.014 28.683 28.738 -0.115 0.000 0.911 359 Q HN 0.496 nan 8.270 nan 0.000 0.438 360 E N 0.345 119.972 120.200 -0.954 0.000 2.106 360 E HA -0.177 4.174 4.350 0.001 0.000 0.192 360 E C 1.846 178.245 176.600 -0.334 0.000 0.984 360 E CA 0.899 56.700 56.400 -0.999 0.000 0.806 360 E CB -0.037 29.185 29.700 -0.796 0.000 0.750 360 E HN 0.332 nan 8.360 nan 0.000 0.458 361 A N 1.133 123.819 122.820 -0.225 0.000 1.930 361 A HA -0.140 4.180 4.320 0.001 0.000 0.217 361 A C 2.128 179.677 177.584 -0.058 0.000 1.175 361 A CA 1.192 53.170 52.037 -0.098 0.000 0.627 361 A CB -0.614 18.348 19.000 -0.064 0.000 0.815 361 A HN 0.394 nan 8.150 nan 0.000 0.443 362 L N -0.666 120.518 121.223 -0.064 0.000 1.994 362 L HA -0.124 4.217 4.340 0.001 0.000 0.208 362 L C 2.258 179.137 176.870 0.014 0.000 1.071 362 L CA 2.144 56.976 54.840 -0.013 0.000 0.745 362 L CB -0.627 41.433 42.059 0.002 0.000 0.892 362 L HN 0.344 nan 8.230 nan 0.000 0.431 363 L N -0.200 121.042 121.223 0.031 0.000 2.079 363 L HA -0.236 4.105 4.340 0.001 0.000 0.210 363 L C 2.440 179.349 176.870 0.064 0.000 1.081 363 L CA 1.847 56.744 54.840 0.095 0.000 0.752 363 L CB -0.712 41.487 42.059 0.232 0.000 0.896 363 L HN 0.275 nan 8.230 nan 0.000 0.433 364 K N -0.424 119.998 120.400 0.037 0.000 2.211 364 K HA -0.192 4.129 4.320 0.001 0.000 0.204 364 K C 1.850 178.462 176.600 0.020 0.000 1.047 364 K CA 1.661 57.965 56.287 0.028 0.000 0.935 364 K CB -0.173 32.334 32.500 0.011 0.000 0.728 364 K HN 0.551 nan 8.250 nan 0.000 0.452 365 E N 0.741 120.951 120.200 0.017 0.000 2.110 365 E HA -0.215 4.135 4.350 0.001 0.000 0.193 365 E C 1.893 178.503 176.600 0.017 0.000 0.988 365 E CA 0.932 57.341 56.400 0.014 0.000 0.804 365 E CB 0.034 29.742 29.700 0.014 0.000 0.745 365 E HN 0.349 nan 8.360 nan 0.000 0.458 366 E N 0.431 120.646 120.200 0.024 0.000 2.371 366 E HA -0.032 4.319 4.350 0.001 0.000 0.194 366 E C 0.586 177.198 176.600 0.020 0.000 1.012 366 E CA -0.062 56.352 56.400 0.023 0.000 0.860 366 E CB 0.292 30.010 29.700 0.030 0.000 0.811 366 E HN 0.113 nan 8.360 nan 0.000 0.502 367 L N 0.000 121.236 121.223 0.022 0.000 2.949 367 L HA 0.000 4.341 4.340 0.001 0.000 0.249 367 L CA 0.000 54.850 54.840 0.016 0.000 0.813 367 L CB 0.000 42.072 42.059 0.022 0.000 0.961 367 L HN 0.000 nan 8.230 nan 0.000 0.502