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 3h5v_1_C DATA FIRST_RESID 6 DATA SEQUENCE IQIGGLFPRG ADQEYSAFRV GMVQFSTSEF RLTPHIDNLE VANSFAVTNA DATA SEQUENCE FcSQFSRGVY AIFGFYDKKS VNTITSFCGT LHVSFITPSF PTDGTHPFVI DATA SEQUENCE QMRPDLKGAL LSLIEYYQWD KFAYLYDSDR GLSTLQAVLD SAAEKKWQVT DATA SEQUENCE AINVGNINND KKDETYRSLF QDLELKKERR VILDCERDKV NDIVDQVITI DATA SEQUENCE GKHVKGYHYI IANLGFTDGD LLKIQFGGAN VSGFQIVDYD DSLVSKFIER DATA SEQUENCE WSTLEEKEYP GAHTATIKYT SALTYDAVQV MTEAFRNLRK QRIEISRRGN DATA SEQUENCE AGDcLANPAV PWGQGVEIER ALKQVQVEGL SGNIKFDQNG KRINYTINIM DATA SEQUENCE ELKTNGPRKI GYWSEVDKMV VTL 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 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 175.969 176.117 -0.247 0.000 1.063 6 I CA 0.000 61.053 61.300 -0.412 0.000 1.566 6 I CB 0.000 37.642 38.000 -0.596 0.000 1.214 7 Q N 3.744 123.492 119.800 -0.087 0.000 2.294 7 Q HA 0.688 5.028 4.340 -0.000 0.000 0.257 7 Q C -0.064 175.984 176.000 0.080 0.000 0.955 7 Q CA -0.389 55.422 55.803 0.013 0.000 0.936 7 Q CB 2.452 31.214 28.738 0.040 0.000 1.188 7 Q HN 0.770 nan 8.270 nan 0.000 0.420 8 I N -1.528 119.069 120.570 0.044 0.000 3.076 8 I HA 0.873 5.043 4.170 -0.000 0.000 0.313 8 I C -0.031 176.141 176.117 0.091 0.000 1.053 8 I CA -1.039 60.297 61.300 0.061 0.000 1.048 8 I CB 1.677 39.700 38.000 0.038 0.000 1.264 8 I HN 0.497 nan 8.210 nan 0.000 0.498 9 G N 0.419 109.261 108.800 0.069 0.000 2.432 9 G HA2 0.671 4.631 3.960 -0.000 0.000 0.331 9 G HA3 0.671 4.631 3.960 -0.000 0.000 0.331 9 G C -0.895 174.053 174.900 0.079 0.000 1.170 9 G CA -0.860 44.293 45.100 0.088 0.000 0.943 9 G HN 1.051 nan 8.290 nan 0.000 0.483 10 G N -0.414 108.452 108.800 0.111 0.000 2.643 10 G HA2 0.519 4.479 3.960 -0.000 0.000 0.305 10 G HA3 0.519 4.479 3.960 -0.000 0.000 0.305 10 G C -1.189 173.773 174.900 0.105 0.000 1.387 10 G CA -0.497 44.659 45.100 0.095 0.000 0.982 10 G HN 0.481 nan 8.290 nan 0.000 0.501 11 L N 2.616 123.810 121.223 -0.047 0.000 2.581 11 L HA 0.408 4.748 4.340 -0.000 0.000 0.241 11 L C -0.626 176.264 176.870 0.033 0.000 1.265 11 L CA -0.411 54.459 54.840 0.049 0.000 0.954 11 L CB 0.068 42.177 42.059 0.084 0.000 1.269 11 L HN 0.413 nan 8.230 nan 0.000 0.475 12 F N 3.515 123.497 119.950 0.054 0.000 2.445 12 F HA 0.359 4.886 4.527 -0.000 0.000 0.359 12 F C -1.374 174.430 175.800 0.006 0.000 1.101 12 F CA -1.728 56.303 58.000 0.052 0.000 1.177 12 F CB 0.397 39.410 39.000 0.021 0.000 1.110 12 F HN 0.227 nan 8.300 nan 0.000 0.522 13 P HA -0.027 nan 4.420 nan 0.000 0.272 13 P C -0.517 176.814 177.300 0.052 0.000 1.254 13 P CA -0.392 62.719 63.100 0.018 0.000 0.795 13 P CB 0.542 32.192 31.700 -0.083 0.000 1.022 14 R N 0.676 121.202 120.500 0.042 0.000 2.345 14 R HA 0.311 4.651 4.340 -0.000 0.000 0.331 14 R C 1.360 177.677 176.300 0.029 0.000 1.067 14 R CA 0.719 56.845 56.100 0.044 0.000 0.962 14 R CB -1.279 29.044 30.300 0.039 0.000 0.987 14 R HN 0.947 nan 8.270 nan 0.000 0.451 15 G N 1.420 110.243 108.800 0.039 0.000 2.184 15 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.206 15 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.206 15 G C 0.430 175.351 174.900 0.034 0.000 0.995 15 G CA -0.097 45.022 45.100 0.031 0.000 0.651 15 G HN 0.672 nan 8.290 nan 0.000 0.511 16 A N 0.853 123.695 122.820 0.037 0.000 2.916 16 A HA 0.489 4.809 4.320 -0.000 0.000 0.254 16 A C 1.561 179.235 177.584 0.150 0.000 1.544 16 A CA 1.113 53.170 52.037 0.034 0.000 1.224 16 A CB -0.351 18.587 19.000 -0.103 0.000 1.012 16 A HN 0.285 nan 8.150 nan 0.000 0.636 17 D N 0.146 120.621 120.400 0.125 0.000 2.106 17 D HA -0.273 4.367 4.640 -0.000 0.000 0.191 17 D C 1.843 178.279 176.300 0.226 0.000 0.997 17 D CA 1.905 55.988 54.000 0.139 0.000 0.834 17 D CB -0.298 40.547 40.800 0.075 0.000 0.956 17 D HN 0.751 nan 8.370 nan 0.000 0.448 18 Q N 0.421 120.360 119.800 0.231 0.000 2.030 18 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 18 Q C 1.828 178.091 176.000 0.438 0.000 0.986 18 Q CA 1.606 57.606 55.803 0.328 0.000 0.843 18 Q CB 0.022 28.945 28.738 0.309 0.000 0.904 18 Q HN 0.115 nan 8.270 nan 0.000 0.420 19 E N -0.110 120.326 120.200 0.393 0.000 2.086 19 E HA -0.238 4.112 4.350 -0.000 0.000 0.200 19 E C 1.630 178.614 176.600 0.639 0.000 1.012 19 E CA 1.585 58.289 56.400 0.507 0.000 0.812 19 E CB -0.551 29.448 29.700 0.498 0.000 0.743 19 E HN 0.452 nan 8.360 nan 0.000 0.453 20 Y N 1.236 121.755 120.300 0.364 0.000 2.114 20 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 20 Y C 2.372 178.482 175.900 0.350 0.000 1.165 20 Y CA 1.679 59.847 58.100 0.113 0.000 1.148 20 Y CB -0.515 37.845 38.460 -0.168 0.000 0.972 20 Y HN -0.028 nan 8.280 nan 0.000 0.504 21 S N 0.011 116.094 115.700 0.638 0.000 2.348 21 S HA -0.195 4.275 4.470 -0.000 0.000 0.221 21 S C 2.320 177.326 174.600 0.677 0.000 1.033 21 S CA 1.138 59.720 58.200 0.638 0.000 1.010 21 S CB -0.947 62.559 63.200 0.510 0.000 0.891 21 S HN 0.587 nan 8.310 nan 0.000 0.442 22 A N 0.925 124.199 122.820 0.756 0.000 1.978 22 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 22 A C 1.889 179.835 177.584 0.603 0.000 1.170 22 A CA 1.402 53.845 52.037 0.677 0.000 0.636 22 A CB -0.911 18.339 19.000 0.417 0.000 0.810 22 A HN 0.527 nan 8.150 nan 0.000 0.448 23 F N 0.451 120.659 119.950 0.430 0.000 2.171 23 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 23 F C 2.358 178.327 175.800 0.282 0.000 1.090 23 F CA 1.825 60.003 58.000 0.297 0.000 1.293 23 F CB -0.022 39.135 39.000 0.263 0.000 1.013 23 F HN 0.129 nan 8.300 nan 0.000 0.486 24 R N -0.476 120.244 120.500 0.367 0.000 2.153 24 R HA -0.045 4.295 4.340 -0.000 0.000 0.218 24 R C 2.074 178.521 176.300 0.245 0.000 1.072 24 R CA 1.139 57.405 56.100 0.276 0.000 0.990 24 R CB -0.436 30.163 30.300 0.498 0.000 0.889 24 R HN 0.237 nan 8.270 nan 0.000 0.452 25 V N 0.319 120.432 119.914 0.332 0.000 2.295 25 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 25 V C 2.380 178.712 176.094 0.396 0.000 1.049 25 V CA 2.207 64.697 62.300 0.317 0.000 1.024 25 V CB -0.946 31.114 31.823 0.395 0.000 0.648 25 V HN 0.507 nan 8.190 nan 0.000 0.447 26 G N -0.794 108.315 108.800 0.515 0.000 2.402 26 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 26 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 26 G C 1.571 176.572 174.900 0.168 0.000 1.162 26 G CA 0.909 46.198 45.100 0.315 0.000 0.777 26 G HN 0.261 nan 8.290 nan 0.000 0.539 27 M N 0.479 120.051 119.600 -0.047 0.000 2.088 27 M HA -0.126 4.354 4.480 -0.000 0.000 0.256 27 M C 2.690 179.003 176.300 0.021 0.000 1.071 27 M CA 1.293 56.532 55.300 -0.101 0.000 1.097 27 M CB -0.944 31.530 32.600 -0.209 0.000 1.315 27 M HN 0.174 nan 8.290 nan 0.000 0.406 28 V N -0.834 119.109 119.914 0.049 0.000 2.788 28 V HA -0.176 3.944 4.120 -0.000 0.000 0.251 28 V C 2.228 178.323 176.094 0.000 0.000 1.068 28 V CA 1.295 63.621 62.300 0.044 0.000 1.090 28 V CB -0.807 31.058 31.823 0.070 0.000 0.710 28 V HN 0.396 nan 8.190 nan 0.000 0.467 29 Q N 1.193 120.974 119.800 -0.032 0.000 1.993 29 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 29 Q C 1.222 177.009 176.000 -0.355 0.000 0.984 29 Q CA 2.057 57.713 55.803 -0.245 0.000 0.837 29 Q CB -0.322 28.179 28.738 -0.395 0.000 0.902 29 Q HN 0.610 nan 8.270 nan 0.000 0.423 30 F N 1.049 121.000 119.950 0.000 0.000 2.873 30 F HA 0.273 4.800 4.527 -0.000 0.000 0.289 30 F C 0.074 175.867 175.800 -0.011 0.000 1.206 30 F CA -0.334 57.654 58.000 -0.020 0.000 1.401 30 F CB -0.173 38.791 39.000 -0.060 0.000 0.996 30 F HN -0.056 nan 8.300 nan 0.000 0.511 31 S N -0.900 114.848 115.700 0.081 0.000 2.399 31 S HA 0.389 4.859 4.470 -0.000 0.000 0.301 31 S C 0.055 174.659 174.600 0.006 0.000 1.093 31 S CA -0.519 57.715 58.200 0.057 0.000 1.077 31 S CB 1.055 64.278 63.200 0.037 0.000 0.980 31 S HN 0.219 nan 8.310 nan 0.000 0.494 32 T N 2.066 116.596 114.554 -0.039 0.000 2.922 32 T HA 0.420 4.769 4.350 -0.000 0.000 0.281 32 T C 1.246 175.861 174.700 -0.142 0.000 1.005 32 T CA -0.648 61.385 62.100 -0.111 0.000 0.982 32 T CB 1.179 69.936 68.868 -0.185 0.000 1.158 32 T HN 0.550 nan 8.240 nan 0.000 0.566 33 S N 0.569 116.187 115.700 -0.137 0.000 2.489 33 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 33 S C 1.620 176.124 174.600 -0.161 0.000 0.995 33 S CA 0.576 58.709 58.200 -0.111 0.000 0.934 33 S CB -0.242 62.912 63.200 -0.076 0.000 0.771 33 S HN 0.687 nan 8.310 nan 0.000 0.522 34 E N 0.770 120.788 120.200 -0.304 0.000 2.002 34 E HA -0.132 4.218 4.350 -0.000 0.000 0.213 34 E C 0.577 177.023 176.600 -0.255 0.000 1.024 34 E CA 1.490 57.651 56.400 -0.397 0.000 0.876 34 E CB -0.133 29.055 29.700 -0.854 0.000 0.799 34 E HN 0.603 nan 8.360 nan 0.000 0.497 35 F N -1.701 118.247 119.950 -0.004 0.000 2.914 35 F HA 0.612 5.139 4.527 -0.000 0.000 0.379 35 F C -0.375 175.409 175.800 -0.027 0.000 1.324 35 F CA -1.357 56.631 58.000 -0.019 0.000 1.112 35 F CB 0.611 39.593 39.000 -0.029 0.000 1.574 35 F HN -0.331 nan 8.300 nan 0.000 0.483 36 R N 0.756 121.484 120.500 0.380 0.000 2.507 36 R HA 0.409 4.749 4.340 -0.000 0.000 0.298 36 R C -1.676 174.670 176.300 0.078 0.000 1.087 36 R CA -0.789 55.431 56.100 0.200 0.000 0.917 36 R CB 1.803 32.157 30.300 0.091 0.000 1.173 36 R HN 0.510 nan 8.270 nan 0.000 0.472 37 L N 3.181 124.450 121.223 0.077 0.000 2.451 37 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 37 L C -0.360 176.480 176.870 -0.049 0.000 1.258 37 L CA 0.924 55.707 54.840 -0.096 0.000 1.132 37 L CB 0.215 42.232 42.059 -0.070 0.000 1.361 37 L HN 0.468 nan 8.230 nan 0.000 0.438 38 T N 6.942 121.464 114.554 -0.053 0.000 2.727 38 T HA 0.373 4.723 4.350 -0.000 0.000 0.298 38 T C -2.402 172.322 174.700 0.041 0.000 0.942 38 T CA -0.876 61.229 62.100 0.008 0.000 0.997 38 T CB 0.788 69.663 68.868 0.012 0.000 0.917 38 T HN 0.378 nan 8.240 nan 0.000 0.487 39 P HA 0.274 nan 4.420 nan 0.000 0.287 39 P C -1.165 176.247 177.300 0.187 0.000 1.270 39 P CA -0.634 62.562 63.100 0.160 0.000 0.844 39 P CB 1.139 32.988 31.700 0.249 0.000 1.068 40 H N 3.134 122.257 119.070 0.088 0.000 2.800 40 H HA 0.324 4.880 4.556 -0.000 0.000 0.322 40 H C -1.079 174.303 175.328 0.090 0.000 0.979 40 H CA -0.620 55.472 56.048 0.074 0.000 1.277 40 H CB 0.774 30.560 29.762 0.039 0.000 1.484 40 H HN 0.181 nan 8.280 nan 0.000 0.512 41 I N 4.792 125.243 120.570 -0.199 0.000 2.315 41 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 41 I C -0.029 176.048 176.117 -0.066 0.000 1.006 41 I CA -0.501 60.776 61.300 -0.040 0.000 1.265 41 I CB 1.169 39.180 38.000 0.019 0.000 1.387 41 I HN 0.536 nan 8.210 nan 0.000 0.475 42 D N 5.359 125.804 120.400 0.075 0.000 2.391 42 D HA 0.290 4.930 4.640 -0.000 0.000 0.245 42 D C -0.254 176.129 176.300 0.139 0.000 1.069 42 D CA -0.368 53.686 54.000 0.091 0.000 0.831 42 D CB 1.326 42.196 40.800 0.117 0.000 1.204 42 D HN 0.240 nan 8.370 nan 0.000 0.503 43 N N 2.306 121.077 118.700 0.118 0.000 2.500 43 N HA 0.298 5.038 4.740 -0.000 0.000 0.236 43 N C -0.618 174.950 175.510 0.098 0.000 1.022 43 N CA -0.453 52.677 53.050 0.133 0.000 0.935 43 N CB 0.710 39.267 38.487 0.117 0.000 1.147 43 N HN 0.313 nan 8.380 nan 0.000 0.512 44 L N -0.929 120.353 121.223 0.099 0.000 2.279 44 L HA 0.670 5.010 4.340 -0.000 0.000 0.262 44 L C 0.308 177.218 176.870 0.067 0.000 1.019 44 L CA -0.874 54.010 54.840 0.074 0.000 0.823 44 L CB 1.059 43.158 42.059 0.066 0.000 1.358 44 L HN 0.234 nan 8.230 nan 0.000 0.432 45 E N 0.509 120.745 120.200 0.060 0.000 2.001 45 E HA 0.255 4.605 4.350 -0.000 0.000 0.279 45 E C 0.832 177.468 176.600 0.060 0.000 1.045 45 E CA -0.326 56.108 56.400 0.057 0.000 0.833 45 E CB 1.327 31.062 29.700 0.058 0.000 1.077 45 E HN 0.731 nan 8.360 nan 0.000 0.397 46 V N 2.781 122.732 119.914 0.062 0.000 2.469 46 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 46 V C 1.920 178.058 176.094 0.074 0.000 1.064 46 V CA 1.961 64.305 62.300 0.075 0.000 1.066 46 V CB -0.793 31.086 31.823 0.093 0.000 0.667 46 V HN 0.590 nan 8.190 nan 0.000 0.461 47 A N 0.799 123.662 122.820 0.070 0.000 2.209 47 A HA 0.013 4.333 4.320 -0.000 0.000 0.212 47 A C 1.376 178.997 177.584 0.061 0.000 1.158 47 A CA 1.017 53.094 52.037 0.068 0.000 0.742 47 A CB -0.776 18.261 19.000 0.062 0.000 0.790 47 A HN 0.653 nan 8.150 nan 0.000 0.472 48 N N 0.026 118.765 118.700 0.065 0.000 2.501 48 N HA 0.227 4.967 4.740 -0.000 0.000 0.245 48 N C 0.401 175.957 175.510 0.075 0.000 0.974 48 N CA 0.146 53.244 53.050 0.081 0.000 0.941 48 N CB 1.209 39.757 38.487 0.101 0.000 1.122 48 N HN 0.047 nan 8.380 nan 0.000 0.507 49 S N 2.930 118.674 115.700 0.073 0.000 2.368 49 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 49 S C 1.439 176.066 174.600 0.046 0.000 1.029 49 S CA 0.591 58.812 58.200 0.034 0.000 0.988 49 S CB -0.353 62.866 63.200 0.031 0.000 0.838 49 S HN 0.689 nan 8.310 nan 0.000 0.462 50 F N 2.939 122.875 119.950 -0.024 0.000 2.069 50 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 50 F C 2.374 178.164 175.800 -0.015 0.000 1.113 50 F CA 1.226 59.214 58.000 -0.019 0.000 1.214 50 F CB -0.917 38.083 39.000 -0.000 0.000 0.978 50 F HN 0.174 nan 8.300 nan 0.000 0.474 51 A N -0.128 122.665 122.820 -0.045 0.000 1.948 51 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 51 A C 2.268 179.771 177.584 -0.134 0.000 1.177 51 A CA 2.169 54.131 52.037 -0.124 0.000 0.636 51 A CB -1.432 17.589 19.000 0.035 0.000 0.815 51 A HN 0.334 nan 8.150 nan 0.000 0.449 52 V N -0.572 119.288 119.914 -0.090 0.000 2.453 52 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 52 V C 2.659 178.651 176.094 -0.170 0.000 1.048 52 V CA 2.216 64.467 62.300 -0.081 0.000 1.049 52 V CB -1.219 30.566 31.823 -0.064 0.000 0.672 52 V HN 0.599 nan 8.190 nan 0.000 0.457 53 T N 0.337 114.724 114.554 -0.278 0.000 2.708 53 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 53 T C 1.814 176.356 174.700 -0.265 0.000 1.037 53 T CA 1.800 63.656 62.100 -0.406 0.000 1.146 53 T CB -0.396 68.268 68.868 -0.339 0.000 0.865 53 T HN 0.517 nan 8.240 nan 0.000 0.435 54 N N 1.243 119.750 118.700 -0.321 0.000 2.039 54 N HA -0.103 4.637 4.740 -0.000 0.000 0.193 54 N C 2.336 177.797 175.510 -0.081 0.000 1.044 54 N CA 1.391 54.295 53.050 -0.244 0.000 0.847 54 N CB -0.325 37.937 38.487 -0.375 0.000 1.030 54 N HN 0.378 nan 8.380 nan 0.000 0.422 55 A N 1.417 124.207 122.820 -0.049 0.000 1.883 55 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 55 A C 2.069 179.701 177.584 0.079 0.000 1.186 55 A CA 1.293 53.351 52.037 0.034 0.000 0.624 55 A CB -1.132 17.903 19.000 0.058 0.000 0.822 55 A HN 0.389 nan 8.150 nan 0.000 0.444 56 F N 0.290 120.211 119.950 -0.049 0.000 2.126 56 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 56 F C 2.406 178.228 175.800 0.036 0.000 1.096 56 F CA 1.861 59.856 58.000 -0.007 0.000 1.255 56 F CB -0.463 38.474 39.000 -0.104 0.000 0.997 56 F HN 0.300 nan 8.300 nan 0.000 0.479 57 c N -0.561 118.134 118.600 0.157 0.000 2.440 57 c HA -0.127 4.443 4.570 -0.000 0.000 0.278 57 c C 3.172 177.311 174.090 0.081 0.000 1.295 57 c CA 1.304 57.728 56.329 0.159 0.000 1.738 57 c CB -1.221 41.373 42.510 0.140 0.000 1.987 57 c HN 0.715 nan 8.230 nan 0.000 0.492 58 S N 0.634 116.345 115.700 0.018 0.000 2.365 58 S HA -0.259 4.211 4.470 -0.000 0.000 0.221 58 S C 2.016 176.559 174.600 -0.095 0.000 1.037 58 S CA 2.089 60.275 58.200 -0.023 0.000 1.060 58 S CB -0.356 62.847 63.200 0.005 0.000 0.974 58 S HN 0.663 nan 8.310 nan 0.000 0.427 59 Q N 0.211 119.941 119.800 -0.116 0.000 2.077 59 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 59 Q C 1.914 177.772 176.000 -0.236 0.000 0.989 59 Q CA 1.741 57.435 55.803 -0.182 0.000 0.853 59 Q CB -1.154 27.483 28.738 -0.169 0.000 0.907 59 Q HN 0.713 nan 8.270 nan 0.000 0.418 60 F N 2.939 122.633 119.950 -0.426 0.000 2.011 60 F HA -0.242 4.285 4.527 -0.000 0.000 0.296 60 F C 2.271 177.913 175.800 -0.264 0.000 1.144 60 F CA 2.269 60.043 58.000 -0.378 0.000 1.185 60 F CB -0.658 38.166 39.000 -0.293 0.000 0.961 60 F HN 0.122 nan 8.300 nan 0.000 0.485 61 S N -0.209 115.383 115.700 -0.179 0.000 2.595 61 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 61 S C 1.763 176.201 174.600 -0.269 0.000 0.974 61 S CA 0.568 58.601 58.200 -0.278 0.000 0.942 61 S CB -0.619 62.594 63.200 0.021 0.000 0.766 61 S HN 0.560 nan 8.310 nan 0.000 0.536 62 R N 1.138 121.469 120.500 -0.281 0.000 2.397 62 R HA 0.275 4.615 4.340 -0.000 0.000 0.241 62 R C 0.589 176.723 176.300 -0.277 0.000 0.914 62 R CA 0.443 56.390 56.100 -0.255 0.000 1.071 62 R CB -0.139 29.991 30.300 -0.283 0.000 1.116 62 R HN 0.487 nan 8.270 nan 0.000 0.524 63 G N 1.814 110.374 108.800 -0.399 0.000 2.473 63 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.289 63 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.289 63 G C -0.228 174.420 174.900 -0.419 0.000 1.084 63 G CA 0.302 45.120 45.100 -0.470 0.000 1.215 63 G HN 0.265 nan 8.290 nan 0.000 0.527 64 V N -0.968 118.631 119.914 -0.524 0.000 2.966 64 V HA 0.915 5.035 4.120 -0.000 0.000 0.317 64 V C 0.154 175.948 176.094 -0.499 0.000 1.070 64 V CA -1.450 60.676 62.300 -0.290 0.000 1.008 64 V CB 1.640 33.367 31.823 -0.159 0.000 1.070 64 V HN 0.630 nan 8.190 nan 0.000 0.457 65 Y N 1.430 121.712 120.300 -0.030 0.000 2.624 65 Y HA 0.818 5.368 4.550 -0.000 0.000 0.302 65 Y C 0.548 176.613 175.900 0.274 0.000 0.939 65 Y CA 0.275 58.454 58.100 0.131 0.000 1.116 65 Y CB 0.645 39.175 38.460 0.117 0.000 1.173 65 Y HN 0.989 nan 8.280 nan 0.000 0.631 66 A N -0.096 122.925 122.820 0.334 0.000 1.873 66 A HA 0.763 5.083 4.320 -0.000 0.000 0.188 66 A C -0.602 177.043 177.584 0.102 0.000 2.054 66 A CA 0.053 52.217 52.037 0.211 0.000 1.506 66 A CB 0.746 19.943 19.000 0.328 0.000 1.084 66 A HN 0.159 nan 8.150 nan 0.000 0.620 67 I N -0.203 120.417 120.570 0.083 0.000 2.569 67 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 67 I C -1.556 174.374 176.117 -0.310 0.000 1.088 67 I CA -0.334 60.920 61.300 -0.076 0.000 1.047 67 I CB 2.331 40.300 38.000 -0.051 0.000 1.237 67 I HN 0.470 nan 8.210 nan 0.000 0.421 68 F N 5.106 124.773 119.950 -0.472 0.000 2.520 68 F HA 0.903 5.430 4.527 -0.000 0.000 0.322 68 F C 0.068 175.383 175.800 -0.809 0.000 1.103 68 F CA 0.002 57.599 58.000 -0.670 0.000 0.926 68 F CB 1.789 40.584 39.000 -0.340 0.000 1.154 68 F HN 0.546 nan 8.300 nan 0.000 0.453 69 G N 3.580 111.173 108.800 -2.011 0.000 2.435 69 G HA2 0.423 4.383 3.960 -0.000 0.000 0.296 69 G HA3 0.423 4.383 3.960 -0.000 0.000 0.296 69 G C -2.197 171.960 174.900 -1.238 0.000 1.240 69 G CA -0.769 43.473 45.100 -1.431 0.000 0.872 69 G HN 0.519 nan 8.290 nan 0.000 0.480 70 F N 0.057 119.781 119.950 -0.376 0.000 2.603 70 F HA 0.797 5.324 4.527 -0.000 0.000 0.317 70 F C -0.358 175.317 175.800 -0.208 0.000 1.066 70 F CA -0.729 57.039 58.000 -0.385 0.000 0.941 70 F CB 2.392 41.184 39.000 -0.347 0.000 1.291 70 F HN 0.690 nan 8.300 nan 0.000 0.472 71 Y N -1.373 118.939 120.300 0.020 0.000 2.638 71 Y HA 0.783 5.332 4.550 -0.000 0.000 0.339 71 Y C -1.552 174.376 175.900 0.046 0.000 1.084 71 Y CA -1.887 56.176 58.100 -0.061 0.000 1.068 71 Y CB 0.606 38.902 38.460 -0.273 0.000 1.294 71 Y HN 0.464 nan 8.280 nan 0.000 0.480 72 D N -0.326 120.306 120.400 0.387 0.000 2.392 72 D HA 0.284 4.924 4.640 -0.000 0.000 0.246 72 D C 0.787 177.355 176.300 0.446 0.000 1.013 72 D CA -0.542 53.687 54.000 0.382 0.000 0.993 72 D CB 1.836 42.756 40.800 0.200 0.000 1.219 72 D HN 0.706 nan 8.370 nan 0.000 0.538 73 K N 0.533 121.148 120.400 0.357 0.000 2.211 73 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 73 K C 1.388 178.059 176.600 0.118 0.000 1.047 73 K CA 1.352 57.763 56.287 0.206 0.000 0.935 73 K CB 0.135 32.641 32.500 0.009 0.000 0.728 73 K HN 0.131 nan 8.250 nan 0.000 0.452 74 K N 0.592 121.054 120.400 0.102 0.000 2.400 74 K HA 0.029 4.349 4.320 -0.000 0.000 0.194 74 K C 1.024 177.642 176.600 0.030 0.000 1.033 74 K CA 0.899 57.219 56.287 0.055 0.000 1.021 74 K CB 0.348 32.882 32.500 0.056 0.000 0.808 74 K HN 0.386 nan 8.250 nan 0.000 0.505 75 S N -1.653 114.064 115.700 0.028 0.000 2.632 75 S HA 0.014 4.484 4.470 -0.000 0.000 0.237 75 S C 1.421 175.935 174.600 -0.142 0.000 1.037 75 S CA -0.264 57.918 58.200 -0.029 0.000 1.009 75 S CB 0.609 63.817 63.200 0.012 0.000 0.974 75 S HN 0.038 nan 8.310 nan 0.000 0.544 76 V N 3.177 122.968 119.914 -0.205 0.000 2.594 76 V HA -0.113 4.007 4.120 -0.000 0.000 0.253 76 V C 1.692 177.501 176.094 -0.476 0.000 1.069 76 V CA 1.984 63.938 62.300 -0.577 0.000 1.082 76 V CB -0.754 30.650 31.823 -0.699 0.000 0.680 76 V HN 0.572 nan 8.190 nan 0.000 0.469 77 N N -0.620 117.924 118.700 -0.260 0.000 2.446 77 N HA -0.069 4.670 4.740 -0.000 0.000 0.179 77 N C 1.692 177.117 175.510 -0.142 0.000 1.054 77 N CA 1.461 54.398 53.050 -0.189 0.000 0.905 77 N CB -0.043 38.389 38.487 -0.093 0.000 0.973 77 N HN 0.471 nan 8.380 nan 0.000 0.448 78 T N 2.284 116.743 114.554 -0.158 0.000 2.701 78 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 78 T C 2.039 176.587 174.700 -0.252 0.000 1.040 78 T CA 0.515 62.517 62.100 -0.163 0.000 1.147 78 T CB 0.079 68.796 68.868 -0.252 0.000 0.865 78 T HN 0.065 nan 8.240 nan 0.000 0.426 79 I N 2.256 122.605 120.570 -0.368 0.000 2.142 79 I HA -0.150 4.020 4.170 -0.000 0.000 0.240 79 I C 3.010 178.903 176.117 -0.373 0.000 1.078 79 I CA 2.045 63.061 61.300 -0.472 0.000 1.343 79 I CB -1.852 35.762 38.000 -0.643 0.000 1.046 79 I HN 0.433 nan 8.210 nan 0.000 0.405 80 T N -2.834 111.497 114.554 -0.372 0.000 2.995 80 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 80 T C 2.013 176.649 174.700 -0.107 0.000 1.091 80 T CA 1.394 63.346 62.100 -0.247 0.000 1.128 80 T CB -0.305 68.323 68.868 -0.400 0.000 0.891 80 T HN 0.176 nan 8.240 nan 0.000 0.492 81 S N -0.677 114.966 115.700 -0.095 0.000 2.436 81 S HA 0.201 4.670 4.470 -0.000 0.000 0.228 81 S C 1.352 175.874 174.600 -0.130 0.000 1.014 81 S CA 0.081 58.242 58.200 -0.063 0.000 0.950 81 S CB -0.524 62.659 63.200 -0.028 0.000 0.784 81 S HN 0.583 nan 8.310 nan 0.000 0.504 82 F N 0.583 120.330 119.950 -0.339 0.000 2.188 82 F HA 0.043 4.570 4.527 -0.000 0.000 0.289 82 F C 2.761 178.383 175.800 -0.297 0.000 1.082 82 F CA 0.673 58.410 58.000 -0.439 0.000 1.282 82 F CB -0.568 37.876 39.000 -0.927 0.000 1.060 82 F HN 0.228 nan 8.300 nan 0.000 0.493 83 C N 0.252 119.512 119.300 -0.067 0.000 2.403 83 C HA -0.198 4.262 4.460 -0.000 0.000 0.277 83 C C 3.023 177.951 174.990 -0.103 0.000 1.248 83 C CA 1.531 60.602 59.018 0.088 0.000 1.762 83 C CB -1.740 26.111 27.740 0.184 0.000 2.014 83 C HN 0.700 nan 8.230 nan 0.000 0.486 84 G N -0.919 107.824 108.800 -0.094 0.000 2.421 84 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 84 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 84 G C 1.679 176.416 174.900 -0.271 0.000 1.143 84 G CA 1.449 46.466 45.100 -0.137 0.000 0.784 84 G HN 0.522 nan 8.290 nan 0.000 0.541 85 T N 1.023 115.454 114.554 -0.205 0.000 2.894 85 T HA 0.099 4.449 4.350 -0.000 0.000 0.258 85 T C 2.021 176.687 174.700 -0.057 0.000 1.043 85 T CA 0.431 62.436 62.100 -0.158 0.000 1.141 85 T CB -0.051 68.672 68.868 -0.241 0.000 0.873 85 T HN 0.136 nan 8.240 nan 0.000 0.449 86 L N 0.083 121.276 121.223 -0.050 0.000 2.628 86 L HA 0.309 4.649 4.340 -0.000 0.000 0.229 86 L C 0.297 177.215 176.870 0.079 0.000 1.137 86 L CA 0.001 54.921 54.840 0.134 0.000 0.909 86 L CB -0.468 41.735 42.059 0.239 0.000 1.137 86 L HN 0.315 nan 8.230 nan 0.000 0.470 87 H N -2.160 116.500 119.070 -0.683 0.000 3.010 87 H HA -0.136 4.419 4.556 -0.000 0.000 0.272 87 H C 0.105 174.997 175.328 -0.726 0.000 1.151 87 H CA 0.349 55.497 56.048 -1.499 0.000 1.159 87 H CB -2.070 27.077 29.762 -1.024 0.000 1.295 87 H HN 0.064 nan 8.280 nan 0.000 0.344 88 V N 0.823 120.722 119.914 -0.025 0.000 2.508 88 V HA 0.165 4.285 4.120 -0.000 0.000 0.281 88 V C 0.861 177.220 176.094 0.440 0.000 1.041 88 V CA 0.062 62.609 62.300 0.412 0.000 1.016 88 V CB 1.620 33.800 31.823 0.595 0.000 0.984 88 V HN 0.350 nan 8.190 nan 0.000 0.478 89 S N 5.347 121.340 115.700 0.489 0.000 2.523 89 S HA 0.500 4.970 4.470 -0.000 0.000 0.275 89 S C -0.594 174.245 174.600 0.397 0.000 1.281 89 S CA -0.167 58.304 58.200 0.451 0.000 1.050 89 S CB 0.295 63.701 63.200 0.343 0.000 0.937 89 S HN 0.544 nan 8.310 nan 0.000 0.492 90 F N 3.632 123.722 119.950 0.234 0.000 2.467 90 F HA 0.622 5.149 4.527 -0.000 0.000 0.336 90 F C -0.989 174.872 175.800 0.102 0.000 1.123 90 F CA -0.990 57.108 58.000 0.162 0.000 0.964 90 F CB 0.673 39.763 39.000 0.149 0.000 1.136 90 F HN 0.336 nan 8.300 nan 0.000 0.447 91 I N 3.924 124.442 120.570 -0.086 0.000 2.562 91 I HA 0.678 4.848 4.170 -0.000 0.000 0.301 91 I C -0.131 175.885 176.117 -0.169 0.000 1.003 91 I CA -0.485 60.862 61.300 0.078 0.000 1.127 91 I CB 2.087 40.216 38.000 0.215 0.000 1.304 91 I HN 0.545 nan 8.210 nan 0.000 0.446 92 T N 4.396 118.906 114.554 -0.073 0.000 3.087 92 T HA 0.425 4.775 4.350 -0.000 0.000 0.351 92 T C -2.594 171.955 174.700 -0.251 0.000 1.520 92 T CA -0.890 60.941 62.100 -0.449 0.000 1.111 92 T CB 1.878 70.489 68.868 -0.430 0.000 1.353 92 T HN 0.304 nan 8.240 nan 0.000 0.481 93 P HA 0.241 nan 4.420 nan 0.000 0.245 93 P C 0.338 177.583 177.300 -0.092 0.000 1.206 93 P CA 0.060 63.102 63.100 -0.097 0.000 0.781 93 P CB 0.184 31.902 31.700 0.031 0.000 0.994 94 S N 0.896 116.413 115.700 -0.306 0.000 2.572 94 S HA 0.125 4.595 4.470 -0.000 0.000 0.267 94 S C 0.385 174.882 174.600 -0.171 0.000 1.361 94 S CA -0.400 57.611 58.200 -0.316 0.000 1.009 94 S CB -0.408 62.176 63.200 -1.027 0.000 0.888 94 S HN 0.201 nan 8.310 nan 0.000 0.553 95 F N 0.478 120.477 119.950 0.082 0.000 2.602 95 F HA 0.384 4.911 4.527 -0.000 0.000 0.367 95 F C -2.589 173.322 175.800 0.185 0.000 1.126 95 F CA -2.472 55.611 58.000 0.138 0.000 1.321 95 F CB -1.246 37.848 39.000 0.156 0.000 1.094 95 F HN 0.205 nan 8.300 nan 0.000 0.594 96 P HA 0.085 nan 4.420 nan 0.000 0.268 96 P C -0.118 177.349 177.300 0.279 0.000 1.204 96 P CA -0.192 63.017 63.100 0.183 0.000 0.768 96 P CB 0.598 32.378 31.700 0.134 0.000 0.842 97 T N -0.795 113.831 114.554 0.120 0.000 2.855 97 T HA 0.032 4.381 4.350 -0.000 0.000 0.322 97 T C 0.165 174.984 174.700 0.199 0.000 1.088 97 T CA -0.295 61.853 62.100 0.080 0.000 1.104 97 T CB 0.017 68.804 68.868 -0.135 0.000 0.996 97 T HN 0.188 nan 8.240 nan 0.000 0.549 98 D N 1.947 122.472 120.400 0.208 0.000 2.994 98 D HA 0.525 5.165 4.640 -0.000 0.000 0.240 98 D C 0.717 177.145 176.300 0.213 0.000 1.195 98 D CA 0.426 54.532 54.000 0.177 0.000 0.957 98 D CB -0.291 40.581 40.800 0.119 0.000 1.105 98 D HN 0.965 nan 8.370 nan 0.000 0.477 99 G N -0.988 107.956 108.800 0.240 0.000 2.325 99 G HA2 0.212 4.172 3.960 -0.000 0.000 0.295 99 G HA3 0.212 4.172 3.960 -0.000 0.000 0.295 99 G C 0.035 174.966 174.900 0.052 0.000 1.274 99 G CA -0.434 44.710 45.100 0.073 0.000 0.857 99 G HN 0.027 nan 8.290 nan 0.000 0.499 100 T N -1.654 112.799 114.554 -0.168 0.000 3.214 100 T HA 0.318 4.668 4.350 -0.000 0.000 0.264 100 T C 0.284 174.950 174.700 -0.057 0.000 1.012 100 T CA -0.106 61.957 62.100 -0.063 0.000 0.901 100 T CB -0.545 68.279 68.868 -0.073 0.000 1.070 100 T HN 0.606 nan 8.240 nan 0.000 0.561 101 H N 3.470 122.538 119.070 -0.004 0.000 3.140 101 H HA 0.236 4.792 4.556 -0.000 0.000 0.316 101 H C -2.109 173.226 175.328 0.011 0.000 0.986 101 H CA -0.922 55.124 56.048 -0.003 0.000 1.397 101 H CB -0.165 29.584 29.762 -0.023 0.000 1.377 101 H HN 0.298 nan 8.280 nan 0.000 0.585 102 P HA 0.111 nan 4.420 nan 0.000 0.278 102 P C -0.368 177.051 177.300 0.197 0.000 1.258 102 P CA -0.590 62.534 63.100 0.041 0.000 0.811 102 P CB 0.708 32.407 31.700 -0.001 0.000 1.063 103 F N -2.763 117.190 119.950 0.006 0.000 3.043 103 F HA -0.177 4.350 4.527 -0.000 0.000 0.290 103 F C -0.313 175.555 175.800 0.115 0.000 0.844 103 F CA 0.429 58.452 58.000 0.039 0.000 1.184 103 F CB -2.104 36.902 39.000 0.010 0.000 1.246 103 F HN -0.018 nan 8.300 nan 0.000 0.536 104 V N 1.999 122.036 119.914 0.204 0.000 2.623 104 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 104 V C 0.065 176.285 176.094 0.208 0.000 1.054 104 V CA -0.899 61.540 62.300 0.232 0.000 0.882 104 V CB 2.512 34.426 31.823 0.153 0.000 1.002 104 V HN 0.061 nan 8.190 nan 0.000 0.424 105 I N 3.851 124.568 120.570 0.245 0.000 2.347 105 I HA 0.425 4.595 4.170 -0.000 0.000 0.283 105 I C -0.044 176.289 176.117 0.361 0.000 1.058 105 I CA -0.427 61.034 61.300 0.268 0.000 1.202 105 I CB 0.978 39.030 38.000 0.087 0.000 1.386 105 I HN 0.717 nan 8.210 nan 0.000 0.475 106 Q N 5.178 125.208 119.800 0.383 0.000 2.377 106 Q HA 0.333 4.673 4.340 -0.000 0.000 0.249 106 Q C 0.934 176.976 176.000 0.071 0.000 1.005 106 Q CA -0.430 55.476 55.803 0.171 0.000 0.912 106 Q CB 1.855 30.649 28.738 0.093 0.000 1.223 106 Q HN 0.461 nan 8.270 nan 0.000 0.459 107 M N 0.645 120.296 119.600 0.086 0.000 2.254 107 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 107 M C 0.808 177.068 176.300 -0.067 0.000 1.066 107 M CA 1.150 56.467 55.300 0.028 0.000 1.123 107 M CB -0.354 32.307 32.600 0.101 0.000 1.388 107 M HN 0.483 nan 8.290 nan 0.000 0.425 108 R N 2.137 122.617 120.500 -0.033 0.000 2.242 108 R HA 0.201 4.540 4.340 -0.000 0.000 0.334 108 R C -2.478 173.733 176.300 -0.148 0.000 1.071 108 R CA -1.509 54.574 56.100 -0.027 0.000 0.922 108 R CB 0.549 30.904 30.300 0.093 0.000 1.023 108 R HN -0.028 nan 8.270 nan 0.000 0.458 109 P HA 0.029 nan 4.420 nan 0.000 0.274 109 P C -0.954 176.103 177.300 -0.405 0.000 1.231 109 P CA -0.439 62.307 63.100 -0.590 0.000 0.790 109 P CB 0.600 31.558 31.700 -1.236 0.000 0.951 110 D N 0.908 121.126 120.400 -0.303 0.000 2.525 110 D HA -0.066 4.574 4.640 -0.000 0.000 0.235 110 D C 0.519 176.685 176.300 -0.223 0.000 1.137 110 D CA 0.310 54.224 54.000 -0.143 0.000 0.868 110 D CB 0.436 41.232 40.800 -0.005 0.000 1.180 110 D HN 0.118 nan 8.370 nan 0.000 0.465 111 L N 3.874 124.935 121.223 -0.270 0.000 2.515 111 L HA 0.215 4.555 4.340 -0.000 0.000 0.223 111 L C 1.915 178.480 176.870 -0.507 0.000 1.079 111 L CA 0.649 55.213 54.840 -0.460 0.000 0.857 111 L CB -0.118 41.662 42.059 -0.466 0.000 1.050 111 L HN 0.390 nan 8.230 nan 0.000 0.476 112 K N -0.201 120.016 120.400 -0.305 0.000 2.089 112 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 112 K C 1.920 178.348 176.600 -0.286 0.000 1.048 112 K CA 1.498 57.654 56.287 -0.219 0.000 0.926 112 K CB -0.641 31.803 32.500 -0.094 0.000 0.714 112 K HN 0.536 nan 8.250 nan 0.000 0.448 113 G N 0.969 109.503 108.800 -0.443 0.000 2.421 113 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 113 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 113 G C 1.622 176.048 174.900 -0.791 0.000 1.171 113 G CA 0.981 45.818 45.100 -0.437 0.000 0.775 113 G HN 0.377 nan 8.290 nan 0.000 0.543 114 A N 0.430 122.307 122.820 -1.572 0.000 1.877 114 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 114 A C 2.370 179.713 177.584 -0.400 0.000 1.186 114 A CA 1.746 53.038 52.037 -1.241 0.000 0.620 114 A CB -0.584 17.781 19.000 -1.058 0.000 0.822 114 A HN 0.429 nan 8.150 nan 0.000 0.443 115 L N 0.064 121.028 121.223 -0.431 0.000 1.989 115 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 115 L C 2.359 179.202 176.870 -0.044 0.000 1.071 115 L CA 1.835 56.601 54.840 -0.124 0.000 0.749 115 L CB -0.688 41.287 42.059 -0.140 0.000 0.890 115 L HN 0.428 nan 8.230 nan 0.000 0.431 116 L N -1.555 119.660 121.223 -0.013 0.000 2.017 116 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 116 L C 2.650 179.619 176.870 0.165 0.000 1.073 116 L CA 1.663 56.595 54.840 0.154 0.000 0.745 116 L CB -0.897 41.287 42.059 0.207 0.000 0.894 116 L HN 0.316 nan 8.230 nan 0.000 0.432 117 S N 0.082 115.869 115.700 0.145 0.000 2.356 117 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 117 S C 1.886 176.560 174.600 0.122 0.000 1.032 117 S CA 1.374 59.707 58.200 0.222 0.000 1.005 117 S CB -0.255 63.231 63.200 0.476 0.000 0.867 117 S HN 0.286 nan 8.310 nan 0.000 0.449 118 L N 1.335 122.586 121.223 0.047 0.000 2.191 118 L HA 0.045 4.385 4.340 -0.000 0.000 0.212 118 L C 1.827 178.604 176.870 -0.155 0.000 1.103 118 L CA 1.379 56.180 54.840 -0.065 0.000 0.769 118 L CB -0.350 41.687 42.059 -0.036 0.000 0.908 118 L HN 0.371 nan 8.230 nan 0.000 0.438 119 I N -0.698 119.749 120.570 -0.205 0.000 2.252 119 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 119 I C 2.243 178.215 176.117 -0.242 0.000 1.102 119 I CA 1.324 62.351 61.300 -0.455 0.000 1.385 119 I CB -0.278 37.385 38.000 -0.562 0.000 1.064 119 I HN 0.335 nan 8.210 nan 0.000 0.414 120 E N 0.004 120.213 120.200 0.014 0.000 2.072 120 E HA -0.255 4.095 4.350 -0.000 0.000 0.190 120 E C 2.070 178.697 176.600 0.045 0.000 0.982 120 E CA 1.147 57.622 56.400 0.125 0.000 0.803 120 E CB -0.317 29.507 29.700 0.206 0.000 0.755 120 E HN 0.465 nan 8.360 nan 0.000 0.453 121 Y N 0.761 120.970 120.300 -0.151 0.000 2.139 121 Y HA -0.324 4.226 4.550 -0.000 0.000 0.282 121 Y C 1.472 177.179 175.900 -0.322 0.000 1.179 121 Y CA 1.790 59.727 58.100 -0.271 0.000 1.161 121 Y CB -0.315 37.892 38.460 -0.422 0.000 0.970 121 Y HN 0.064 nan 8.280 nan 0.000 0.511 122 Y N 0.732 121.000 120.300 -0.054 0.000 2.529 122 Y HA 0.057 4.607 4.550 -0.000 0.000 0.290 122 Y C 0.493 176.416 175.900 0.039 0.000 1.177 122 Y CA 0.331 58.368 58.100 -0.104 0.000 1.305 122 Y CB -0.409 37.794 38.460 -0.428 0.000 1.047 122 Y HN 0.167 nan 8.280 nan 0.000 0.522 123 Q N -1.157 118.718 119.800 0.125 0.000 2.443 123 Q HA -0.243 4.097 4.340 -0.000 0.000 0.337 123 Q C -1.373 174.859 176.000 0.386 0.000 1.401 123 Q CA 0.139 56.068 55.803 0.210 0.000 0.943 123 Q CB -1.611 27.217 28.738 0.150 0.000 1.177 123 Q HN 0.404 nan 8.270 nan 0.000 0.394 124 W N 1.253 122.576 121.300 0.038 0.000 2.316 124 W HA 0.226 4.886 4.660 -0.000 0.000 0.321 124 W C 1.049 177.593 176.519 0.042 0.000 1.203 124 W CA -0.318 57.026 57.345 -0.000 0.000 1.214 124 W CB 0.502 29.865 29.460 -0.161 0.000 1.169 124 W HN 0.393 nan 8.180 nan 0.000 0.561 125 D N 0.114 120.688 120.400 0.291 0.000 2.415 125 D HA 0.067 4.707 4.640 -0.000 0.000 0.269 125 D C -0.136 176.227 176.300 0.105 0.000 1.099 125 D CA 0.082 54.248 54.000 0.276 0.000 0.865 125 D CB 0.482 41.428 40.800 0.243 0.000 1.359 125 D HN 0.272 nan 8.370 nan 0.000 0.506 126 K N -0.172 120.237 120.400 0.015 0.000 2.378 126 K HA 0.536 4.856 4.320 -0.000 0.000 0.252 126 K C -1.606 174.906 176.600 -0.148 0.000 0.931 126 K CA -0.742 55.444 56.287 -0.168 0.000 0.794 126 K CB 1.790 34.216 32.500 -0.123 0.000 1.181 126 K HN 0.016 nan 8.250 nan 0.000 0.425 127 F N -0.167 119.695 119.950 -0.147 0.000 2.900 127 F HA 0.630 5.156 4.527 -0.000 0.000 0.321 127 F C -1.832 173.945 175.800 -0.039 0.000 1.160 127 F CA -1.374 56.507 58.000 -0.198 0.000 0.890 127 F CB 0.504 39.363 39.000 -0.236 0.000 1.334 127 F HN 0.418 nan 8.300 nan 0.000 0.459 128 A N 0.585 123.575 122.820 0.283 0.000 2.320 128 A HA 0.735 5.055 4.320 -0.000 0.000 0.334 128 A C -2.272 175.588 177.584 0.460 0.000 1.147 128 A CA -0.720 51.477 52.037 0.266 0.000 0.820 128 A CB 1.047 20.132 19.000 0.141 0.000 1.218 128 A HN 1.112 nan 8.150 nan 0.000 0.482 129 Y N 2.702 123.179 120.300 0.295 0.000 2.526 129 Y HA 0.510 5.060 4.550 -0.000 0.000 0.328 129 Y C -1.093 174.985 175.900 0.297 0.000 0.995 129 Y CA -0.678 57.611 58.100 0.315 0.000 1.304 129 Y CB 0.882 39.541 38.460 0.332 0.000 1.096 129 Y HN 0.535 nan 8.280 nan 0.000 0.499 130 L N 7.906 129.165 121.223 0.061 0.000 2.260 130 L HA 0.327 4.667 4.340 -0.000 0.000 0.289 130 L C -0.850 176.037 176.870 0.028 0.000 1.057 130 L CA -0.846 54.042 54.840 0.080 0.000 0.811 130 L CB -0.133 41.961 42.059 0.058 0.000 1.184 130 L HN 0.602 nan 8.230 nan 0.000 0.429 131 Y N 1.032 121.351 120.300 0.031 0.000 2.536 131 Y HA 0.771 5.321 4.550 -0.000 0.000 0.347 131 Y C -0.838 175.109 175.900 0.079 0.000 1.000 131 Y CA -1.694 56.441 58.100 0.059 0.000 1.051 131 Y CB 1.321 39.954 38.460 0.290 0.000 1.259 131 Y HN 0.579 nan 8.280 nan 0.000 0.468 132 D N -0.286 120.153 120.400 0.065 0.000 2.414 132 D HA 0.378 5.018 4.640 -0.000 0.000 0.241 132 D C -0.084 176.311 176.300 0.159 0.000 1.008 132 D CA -0.721 53.274 54.000 -0.009 0.000 1.001 132 D CB 1.520 42.324 40.800 0.007 0.000 1.277 132 D HN 0.591 nan 8.370 nan 0.000 0.538 133 S N -1.208 114.556 115.700 0.106 0.000 2.572 133 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 133 S C 0.067 174.674 174.600 0.012 0.000 0.963 133 S CA -0.463 57.813 58.200 0.126 0.000 0.939 133 S CB -0.272 63.005 63.200 0.129 0.000 0.804 133 S HN 0.341 nan 8.310 nan 0.000 0.480 134 D N 2.199 122.607 120.400 0.013 0.000 2.350 134 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 134 D C 0.950 177.175 176.300 -0.125 0.000 0.968 134 D CA 0.702 54.702 54.000 0.000 0.000 0.894 134 D CB -0.075 40.762 40.800 0.061 0.000 0.909 134 D HN 0.362 nan 8.370 nan 0.000 0.520 135 R N -0.061 120.247 120.500 -0.321 0.000 2.700 135 R HA 0.484 4.824 4.340 -0.000 0.000 0.377 135 R C 0.600 176.195 176.300 -1.176 0.000 1.130 135 R CA 0.059 55.562 56.100 -0.995 0.000 1.055 135 R CB 0.865 30.960 30.300 -0.341 0.000 1.387 135 R HN 0.085 nan 8.270 nan 0.000 0.580 136 G N 0.122 108.513 108.800 -0.681 0.000 2.828 136 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.463 136 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.463 136 G C -0.377 174.423 174.900 -0.166 0.000 1.394 136 G CA -0.656 44.237 45.100 -0.345 0.000 0.862 136 G HN 0.189 nan 8.290 nan 0.000 0.540 137 L N 0.926 122.092 121.223 -0.095 0.000 3.218 137 L HA 0.313 4.653 4.340 -0.000 0.000 0.279 137 L C 2.204 179.023 176.870 -0.085 0.000 1.287 137 L CA 0.855 55.643 54.840 -0.086 0.000 1.024 137 L CB 0.769 42.767 42.059 -0.101 0.000 1.409 137 L HN 0.799 nan 8.230 nan 0.000 0.580 138 S N -1.913 113.753 115.700 -0.057 0.000 2.419 138 S HA -0.219 4.251 4.470 -0.000 0.000 0.235 138 S C 1.946 176.521 174.600 -0.043 0.000 1.019 138 S CA 1.719 59.900 58.200 -0.032 0.000 0.982 138 S CB -0.781 62.423 63.200 0.006 0.000 0.789 138 S HN 0.612 nan 8.310 nan 0.000 0.490 139 T N 1.583 116.113 114.554 -0.039 0.000 2.770 139 T HA 0.128 4.478 4.350 -0.000 0.000 0.258 139 T C 1.859 176.494 174.700 -0.109 0.000 1.039 139 T CA 0.860 62.951 62.100 -0.014 0.000 1.143 139 T CB -0.817 68.100 68.868 0.082 0.000 0.866 139 T HN 0.428 nan 8.240 nan 0.000 0.428 140 L N 0.463 121.553 121.223 -0.223 0.000 2.201 140 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 140 L C 2.514 179.155 176.870 -0.382 0.000 1.105 140 L CA 1.287 55.780 54.840 -0.578 0.000 0.775 140 L CB -0.556 41.033 42.059 -0.784 0.000 0.913 140 L HN 0.227 nan 8.230 nan 0.000 0.440 141 Q N 0.021 119.687 119.800 -0.223 0.000 2.245 141 Q HA -0.000 4.340 4.340 -0.000 0.000 0.201 141 Q C 2.341 178.285 176.000 -0.094 0.000 0.955 141 Q CA 1.033 56.752 55.803 -0.141 0.000 0.870 141 Q CB -0.121 28.560 28.738 -0.096 0.000 0.945 141 Q HN 0.729 nan 8.270 nan 0.000 0.461 142 A N 0.869 123.642 122.820 -0.078 0.000 1.968 142 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 142 A C 2.235 179.828 177.584 0.016 0.000 1.169 142 A CA 1.390 53.411 52.037 -0.027 0.000 0.638 142 A CB -0.534 18.459 19.000 -0.011 0.000 0.812 142 A HN 0.309 nan 8.150 nan 0.000 0.446 143 V N -1.548 118.369 119.914 0.006 0.000 2.535 143 V HA -0.040 4.080 4.120 -0.000 0.000 0.246 143 V C 2.109 178.289 176.094 0.145 0.000 1.045 143 V CA 1.416 63.828 62.300 0.187 0.000 1.058 143 V CB -0.655 31.282 31.823 0.191 0.000 0.689 143 V HN 0.428 nan 8.190 nan 0.000 0.461 144 L N 0.413 121.623 121.223 -0.021 0.000 2.012 144 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 144 L C 2.038 178.889 176.870 -0.032 0.000 1.073 144 L CA 2.105 56.928 54.840 -0.027 0.000 0.748 144 L CB -0.879 41.128 42.059 -0.086 0.000 0.891 144 L HN 0.349 nan 8.230 nan 0.000 0.431 145 D N -0.672 119.699 120.400 -0.048 0.000 2.355 145 D HA -0.037 4.603 4.640 -0.000 0.000 0.253 145 D C 1.360 177.606 176.300 -0.090 0.000 1.187 145 D CA 0.453 54.417 54.000 -0.060 0.000 0.900 145 D CB 0.431 41.201 40.800 -0.050 0.000 0.915 145 D HN 0.167 nan 8.370 nan 0.000 0.516 146 S N -0.954 114.672 115.700 -0.124 0.000 2.648 146 S HA 0.154 4.624 4.470 -0.000 0.000 0.270 146 S C 1.789 176.072 174.600 -0.530 0.000 1.082 146 S CA 0.100 58.110 58.200 -0.317 0.000 1.116 146 S CB 0.608 63.595 63.200 -0.355 0.000 1.040 146 S HN 0.272 nan 8.310 nan 0.000 0.572 147 A N 1.849 124.532 122.820 -0.229 0.000 2.186 147 A HA 0.173 4.493 4.320 -0.000 0.000 0.219 147 A C 1.951 179.437 177.584 -0.163 0.000 1.159 147 A CA 1.664 53.641 52.037 -0.099 0.000 0.680 147 A CB -0.668 18.401 19.000 0.115 0.000 0.787 147 A HN 0.531 nan 8.150 nan 0.000 0.467 148 A N -0.081 122.635 122.820 -0.174 0.000 1.833 148 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 148 A C 1.920 179.394 177.584 -0.182 0.000 1.275 148 A CA 1.374 53.327 52.037 -0.140 0.000 0.602 148 A CB -0.857 18.078 19.000 -0.109 0.000 0.929 148 A HN 0.557 nan 8.150 nan 0.000 0.462 149 E N -0.015 120.061 120.200 -0.207 0.000 2.187 149 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 149 E C 1.010 177.467 176.600 -0.238 0.000 1.004 149 E CA 1.727 58.010 56.400 -0.195 0.000 0.813 149 E CB -0.045 29.544 29.700 -0.185 0.000 0.736 149 E HN 0.587 nan 8.360 nan 0.000 0.468 150 K N -0.314 119.841 120.400 -0.410 0.000 2.413 150 K HA 0.138 4.458 4.320 -0.000 0.000 0.204 150 K C -0.410 175.982 176.600 -0.348 0.000 1.041 150 K CA -0.110 55.914 56.287 -0.438 0.000 1.082 150 K CB 0.823 32.884 32.500 -0.731 0.000 0.871 150 K HN -0.028 nan 8.250 nan 0.000 0.535 151 K N 1.094 121.346 120.400 -0.247 0.000 3.148 151 K HA -0.157 4.163 4.320 -0.000 0.000 0.267 151 K C -0.698 175.958 176.600 0.094 0.000 0.996 151 K CA 0.482 56.730 56.287 -0.066 0.000 0.737 151 K CB -1.084 31.408 32.500 -0.012 0.000 1.308 151 K HN 0.199 nan 8.250 nan 0.000 0.470 152 W N 0.889 122.202 121.300 0.022 0.000 2.215 152 W HA 0.281 4.941 4.660 -0.000 0.000 0.342 152 W C 0.879 177.320 176.519 -0.129 0.000 1.237 152 W CA -0.516 56.817 57.345 -0.019 0.000 1.283 152 W CB 0.269 29.752 29.460 0.038 0.000 1.131 152 W HN 0.174 nan 8.180 nan 0.000 0.606 153 Q N 1.389 121.190 119.800 0.002 0.000 2.571 153 Q HA 0.360 4.700 4.340 -0.000 0.000 0.243 153 Q C -1.043 174.766 176.000 -0.318 0.000 1.055 153 Q CA -0.211 55.524 55.803 -0.113 0.000 0.815 153 Q CB 0.786 29.476 28.738 -0.079 0.000 1.151 153 Q HN 0.180 nan 8.270 nan 0.000 0.519 154 V N 2.000 121.739 119.914 -0.292 0.000 2.509 154 V HA 0.316 4.436 4.120 -0.000 0.000 0.284 154 V C 0.352 176.370 176.094 -0.126 0.000 1.047 154 V CA -0.315 61.765 62.300 -0.366 0.000 0.952 154 V CB 1.711 33.434 31.823 -0.168 0.000 0.988 154 V HN 0.575 nan 8.190 nan 0.000 0.469 155 T N 4.431 118.950 114.554 -0.058 0.000 3.254 155 T HA 0.462 4.812 4.350 -0.000 0.000 0.385 155 T C 0.242 175.025 174.700 0.137 0.000 1.528 155 T CA -0.127 61.990 62.100 0.029 0.000 1.212 155 T CB 0.467 69.343 68.868 0.012 0.000 1.145 155 T HN 0.854 nan 8.240 nan 0.000 0.631 156 A N 3.801 126.725 122.820 0.174 0.000 2.343 156 A HA 0.596 4.916 4.320 -0.000 0.000 0.305 156 A C 0.113 177.903 177.584 0.344 0.000 1.308 156 A CA -0.422 51.812 52.037 0.329 0.000 0.949 156 A CB -0.398 18.738 19.000 0.227 0.000 1.148 156 A HN 0.827 nan 8.150 nan 0.000 0.545 157 I N 3.728 124.488 120.570 0.317 0.000 2.371 157 I HA 0.109 4.279 4.170 -0.000 0.000 0.282 157 I C 0.453 176.530 176.117 -0.066 0.000 1.031 157 I CA -0.669 60.713 61.300 0.137 0.000 1.180 157 I CB 0.847 38.860 38.000 0.022 0.000 1.336 157 I HN 0.700 nan 8.210 nan 0.000 0.467 158 N N 5.775 124.280 118.700 -0.326 0.000 2.301 158 N HA -0.096 4.644 4.740 -0.000 0.000 0.267 158 N C 0.176 175.423 175.510 -0.437 0.000 1.304 158 N CA 0.732 53.190 53.050 -0.987 0.000 0.851 158 N CB 1.363 39.499 38.487 -0.584 0.000 1.070 158 N HN 0.461 nan 8.380 nan 0.000 0.483 159 V N 3.458 123.141 119.914 -0.385 0.000 3.380 159 V HA 0.257 4.377 4.120 -0.000 0.000 0.307 159 V C 1.666 177.680 176.094 -0.133 0.000 1.434 159 V CA 0.555 62.746 62.300 -0.181 0.000 1.075 159 V CB -0.034 31.754 31.823 -0.058 0.000 0.954 159 V HN 0.793 nan 8.190 nan 0.000 0.444 160 G N 0.217 108.920 108.800 -0.162 0.000 2.744 160 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.211 160 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.211 160 G C 1.149 176.011 174.900 -0.063 0.000 1.143 160 G CA 0.568 45.619 45.100 -0.081 0.000 0.788 160 G HN 0.510 nan 8.290 nan 0.000 0.534 161 N N 0.487 119.135 118.700 -0.088 0.000 2.392 161 N HA 0.046 4.786 4.740 -0.000 0.000 0.177 161 N C 1.267 176.732 175.510 -0.075 0.000 1.066 161 N CA -0.519 52.491 53.050 -0.068 0.000 0.895 161 N CB -0.185 38.262 38.487 -0.066 0.000 0.988 161 N HN 0.475 nan 8.380 nan 0.000 0.457 162 I N -0.361 120.142 120.570 -0.113 0.000 3.089 162 I HA -0.208 3.962 4.170 -0.000 0.000 0.321 162 I C 0.788 176.857 176.117 -0.081 0.000 1.222 162 I CA 0.565 61.778 61.300 -0.146 0.000 1.452 162 I CB 0.196 38.039 38.000 -0.261 0.000 1.321 162 I HN 0.088 nan 8.210 nan 0.000 0.539 163 N N 4.091 122.748 118.700 -0.072 0.000 2.272 163 N HA -0.265 4.475 4.740 -0.000 0.000 0.185 163 N C 1.413 176.913 175.510 -0.017 0.000 1.014 163 N CA 1.068 54.096 53.050 -0.037 0.000 0.870 163 N CB -0.185 38.282 38.487 -0.033 0.000 0.975 163 N HN 0.943 nan 8.380 nan 0.000 0.433 164 N N 0.247 118.939 118.700 -0.013 0.000 2.631 164 N HA -0.260 4.480 4.740 -0.000 0.000 0.218 164 N C 0.192 175.713 175.510 0.018 0.000 0.972 164 N CA 2.143 55.205 53.050 0.021 0.000 1.918 164 N CB -1.476 37.028 38.487 0.028 0.000 0.895 164 N HN 0.189 nan 8.380 nan 0.000 0.540 165 D N 0.543 120.947 120.400 0.006 0.000 2.108 165 D HA -0.101 4.539 4.640 -0.000 0.000 0.190 165 D C 0.595 176.899 176.300 0.008 0.000 0.995 165 D CA 1.568 55.571 54.000 0.006 0.000 0.834 165 D CB -0.179 40.621 40.800 -0.000 0.000 0.967 165 D HN 0.545 nan 8.370 nan 0.000 0.446 166 K N 0.576 120.976 120.400 -0.001 0.000 2.800 166 K HA 0.177 4.497 4.320 -0.000 0.000 0.185 166 K C 0.822 177.419 176.600 -0.005 0.000 1.082 166 K CA -0.182 56.106 56.287 0.002 0.000 0.978 166 K CB 0.997 33.495 32.500 -0.003 0.000 1.364 166 K HN 0.126 nan 8.250 nan 0.000 0.592 167 K N -0.869 119.542 120.400 0.018 0.000 2.314 167 K HA 0.020 4.340 4.320 -0.000 0.000 0.198 167 K C 0.372 177.046 176.600 0.124 0.000 1.045 167 K CA 0.519 56.819 56.287 0.021 0.000 0.988 167 K CB 0.287 32.850 32.500 0.104 0.000 0.783 167 K HN 0.011 nan 8.250 nan 0.000 0.484 168 D N 1.319 121.788 120.400 0.114 0.000 2.390 168 D HA -0.102 4.538 4.640 -0.000 0.000 0.235 168 D C 1.181 177.540 176.300 0.100 0.000 1.040 168 D CA 0.945 55.017 54.000 0.121 0.000 0.923 168 D CB 0.472 41.313 40.800 0.069 0.000 0.886 168 D HN 0.508 nan 8.370 nan 0.000 0.532 169 E N -1.060 119.181 120.200 0.069 0.000 2.406 169 E HA -0.056 4.294 4.350 -0.000 0.000 0.204 169 E C 1.910 178.527 176.600 0.028 0.000 0.820 169 E CA 0.913 57.340 56.400 0.045 0.000 1.136 169 E CB -0.108 29.603 29.700 0.018 0.000 1.129 169 E HN 0.100 nan 8.360 nan 0.000 0.530 170 T N -1.229 113.297 114.554 -0.046 0.000 2.720 170 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 170 T C 1.700 176.339 174.700 -0.103 0.000 1.037 170 T CA 1.549 63.568 62.100 -0.135 0.000 1.144 170 T CB -0.826 67.872 68.868 -0.282 0.000 0.864 170 T HN 0.225 nan 8.240 nan 0.000 0.444 171 Y N 1.557 121.899 120.300 0.070 0.000 2.114 171 Y HA 0.083 4.633 4.550 -0.000 0.000 0.284 171 Y C 3.093 179.137 175.900 0.239 0.000 1.143 171 Y CA 1.051 59.243 58.100 0.153 0.000 1.135 171 Y CB -0.212 38.364 38.460 0.193 0.000 0.980 171 Y HN 0.038 nan 8.280 nan 0.000 0.499 172 R N -0.562 120.137 120.500 0.333 0.000 2.377 172 R HA -0.101 4.239 4.340 -0.000 0.000 0.207 172 R C 2.027 178.434 176.300 0.177 0.000 1.075 172 R CA 0.906 57.149 56.100 0.238 0.000 1.035 172 R CB -0.168 30.216 30.300 0.141 0.000 0.857 172 R HN 0.111 nan 8.270 nan 0.000 0.475 173 S N -0.040 115.741 115.700 0.135 0.000 2.502 173 S HA 0.050 4.520 4.470 -0.000 0.000 0.215 173 S C 1.264 175.894 174.600 0.051 0.000 1.009 173 S CA -0.138 58.105 58.200 0.072 0.000 0.908 173 S CB 0.360 63.577 63.200 0.027 0.000 0.801 173 S HN 0.329 nan 8.310 nan 0.000 0.505 174 L N -2.114 119.136 121.223 0.044 0.000 2.693 174 L HA 0.619 4.959 4.340 -0.000 0.000 0.235 174 L C 0.702 177.499 176.870 -0.121 0.000 1.127 174 L CA 0.746 55.552 54.840 -0.058 0.000 0.914 174 L CB -0.371 41.606 42.059 -0.137 0.000 1.193 174 L HN 0.047 nan 8.230 nan 0.000 0.502 175 F N 1.019 121.025 119.950 0.092 0.000 2.727 175 F HA 0.192 4.719 4.527 -0.000 0.000 0.302 175 F C 2.211 178.060 175.800 0.083 0.000 1.097 175 F CA 0.589 58.649 58.000 0.099 0.000 1.330 175 F CB 0.099 39.159 39.000 0.101 0.000 1.084 175 F HN 0.393 nan 8.300 nan 0.000 0.578 176 Q N -1.219 118.695 119.800 0.190 0.000 2.396 176 Q HA 0.017 4.357 4.340 -0.000 0.000 0.209 176 Q C 0.384 176.433 176.000 0.082 0.000 0.906 176 Q CA 0.747 56.627 55.803 0.129 0.000 0.927 176 Q CB -0.124 28.672 28.738 0.097 0.000 1.069 176 Q HN 0.127 nan 8.270 nan 0.000 0.523 177 D N 0.927 121.358 120.400 0.052 0.000 2.349 177 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 177 D C 1.175 177.487 176.300 0.021 0.000 1.029 177 D CA 0.454 54.466 54.000 0.021 0.000 0.879 177 D CB 0.455 41.251 40.800 -0.008 0.000 0.906 177 D HN 0.292 nan 8.370 nan 0.000 0.528 178 L N -0.058 121.197 121.223 0.054 0.000 2.766 178 L HA 0.198 4.538 4.340 -0.000 0.000 0.242 178 L C 1.633 178.569 176.870 0.110 0.000 1.136 178 L CA 0.132 55.017 54.840 0.074 0.000 0.933 178 L CB 0.580 42.697 42.059 0.096 0.000 1.241 178 L HN -0.161 nan 8.230 nan 0.000 0.522 179 E N 0.189 120.457 120.200 0.113 0.000 2.318 179 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 179 E C 2.060 178.692 176.600 0.053 0.000 0.998 179 E CA 0.333 56.792 56.400 0.099 0.000 0.859 179 E CB 0.294 30.060 29.700 0.110 0.000 0.812 179 E HN 0.422 nan 8.360 nan 0.000 0.492 180 L N 1.042 122.290 121.223 0.041 0.000 1.971 180 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 180 L C 1.967 178.842 176.870 0.008 0.000 1.072 180 L CA 1.579 56.433 54.840 0.022 0.000 0.758 180 L CB -0.246 41.822 42.059 0.016 0.000 0.889 180 L HN -0.004 nan 8.230 nan 0.000 0.433 181 K N -0.147 120.254 120.400 0.002 0.000 2.417 181 K HA 0.028 4.347 4.320 -0.000 0.000 0.196 181 K C 0.092 176.676 176.600 -0.027 0.000 1.023 181 K CA -0.123 56.154 56.287 -0.017 0.000 1.122 181 K CB 0.291 32.774 32.500 -0.028 0.000 0.850 181 K HN 0.064 nan 8.250 nan 0.000 0.521 182 K N 2.377 122.771 120.400 -0.010 0.000 3.619 182 K HA -0.148 4.172 4.320 -0.000 0.000 0.275 182 K C -1.272 175.287 176.600 -0.068 0.000 0.993 182 K CA 0.346 56.617 56.287 -0.026 0.000 0.787 182 K CB -0.662 31.810 32.500 -0.047 0.000 1.431 182 K HN 0.146 nan 8.250 nan 0.000 0.451 183 E N 2.233 122.418 120.200 -0.025 0.000 2.223 183 E HA 0.082 4.432 4.350 -0.000 0.000 0.282 183 E C 0.817 177.352 176.600 -0.108 0.000 1.046 183 E CA -0.300 56.063 56.400 -0.061 0.000 0.857 183 E CB 1.115 30.817 29.700 0.003 0.000 1.055 183 E HN 0.295 nan 8.360 nan 0.000 0.409 184 R N 1.939 122.272 120.500 -0.279 0.000 2.446 184 R HA 0.171 4.511 4.340 -0.000 0.000 0.254 184 R C 0.227 176.282 176.300 -0.408 0.000 0.918 184 R CA 0.004 55.827 56.100 -0.462 0.000 1.069 184 R CB 0.784 30.746 30.300 -0.565 0.000 1.194 184 R HN 0.287 nan 8.270 nan 0.000 0.534 185 R N 0.709 120.921 120.500 -0.480 0.000 2.393 185 R HA 0.530 4.870 4.340 -0.000 0.000 0.315 185 R C -1.090 174.961 176.300 -0.416 0.000 0.952 185 R CA -0.372 55.240 56.100 -0.813 0.000 0.842 185 R CB 2.434 31.730 30.300 -1.674 0.000 1.163 185 R HN -0.237 nan 8.270 nan 0.000 0.450 186 V N 5.336 125.115 119.914 -0.225 0.000 2.668 186 V HA 0.418 4.537 4.120 -0.000 0.000 0.304 186 V C -0.371 175.832 176.094 0.182 0.000 1.071 186 V CA -0.705 61.621 62.300 0.043 0.000 0.894 186 V CB 2.292 34.153 31.823 0.064 0.000 1.008 186 V HN 0.650 nan 8.190 nan 0.000 0.425 187 I N 5.164 125.839 120.570 0.175 0.000 2.392 187 I HA 0.449 4.619 4.170 -0.000 0.000 0.295 187 I C -0.589 175.528 176.117 -0.000 0.000 0.985 187 I CA -0.511 60.831 61.300 0.070 0.000 1.221 187 I CB 1.544 39.523 38.000 -0.036 0.000 1.366 187 I HN 0.346 nan 8.210 nan 0.000 0.467 188 L N 5.729 126.980 121.223 0.046 0.000 2.337 188 L HA 0.303 4.643 4.340 -0.000 0.000 0.269 188 L C -0.726 176.146 176.870 0.004 0.000 1.018 188 L CA -0.255 54.613 54.840 0.047 0.000 0.876 188 L CB 0.950 43.089 42.059 0.132 0.000 1.236 188 L HN 0.537 nan 8.230 nan 0.000 0.436 189 D N 2.590 122.940 120.400 -0.082 0.000 2.590 189 D HA 0.326 4.966 4.640 -0.000 0.000 0.280 189 D C -0.820 175.517 176.300 0.061 0.000 1.197 189 D CA -0.020 53.965 54.000 -0.026 0.000 0.967 189 D CB 0.348 41.078 40.800 -0.116 0.000 0.987 189 D HN 0.288 nan 8.370 nan 0.000 0.508 190 C N 1.135 120.482 119.300 0.077 0.000 2.848 190 C HA 0.465 4.925 4.460 -0.000 0.000 0.317 190 C C 0.129 175.183 174.990 0.106 0.000 1.260 190 C CA -1.012 58.059 59.018 0.089 0.000 1.656 190 C CB 1.968 29.754 27.740 0.077 0.000 2.174 190 C HN 0.368 nan 8.230 nan 0.000 0.479 191 E N 0.944 121.205 120.200 0.103 0.000 2.459 191 E HA -0.060 4.289 4.350 -0.000 0.000 0.264 191 E C 1.170 177.833 176.600 0.105 0.000 1.055 191 E CA 0.243 56.709 56.400 0.111 0.000 0.957 191 E CB 0.359 30.113 29.700 0.089 0.000 0.952 191 E HN 0.729 nan 8.360 nan 0.000 0.448 192 R N 1.679 122.251 120.500 0.120 0.000 2.159 192 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 192 R C 0.828 177.167 176.300 0.065 0.000 1.131 192 R CA 1.474 57.638 56.100 0.108 0.000 0.982 192 R CB -0.017 30.360 30.300 0.129 0.000 0.868 192 R HN 0.311 nan 8.270 nan 0.000 0.453 193 D N 1.145 121.580 120.400 0.058 0.000 2.123 193 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 193 D C 1.698 178.018 176.300 0.033 0.000 0.976 193 D CA 1.244 55.268 54.000 0.040 0.000 0.831 193 D CB -0.081 40.743 40.800 0.042 0.000 0.974 193 D HN 0.359 nan 8.370 nan 0.000 0.469 194 K N 0.879 121.310 120.400 0.051 0.000 2.148 194 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 194 K C 1.919 178.534 176.600 0.025 0.000 1.050 194 K CA 0.583 56.906 56.287 0.060 0.000 0.942 194 K CB 0.126 32.678 32.500 0.087 0.000 0.724 194 K HN -0.117 nan 8.250 nan 0.000 0.446 195 V N 2.065 121.995 119.914 0.027 0.000 2.261 195 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 195 V C 2.099 178.161 176.094 -0.053 0.000 1.047 195 V CA 2.008 64.311 62.300 0.003 0.000 1.015 195 V CB -0.708 31.134 31.823 0.032 0.000 0.642 195 V HN 0.448 nan 8.190 nan 0.000 0.446 196 N N 0.444 119.116 118.700 -0.045 0.000 2.094 196 N HA -0.192 4.548 4.740 -0.000 0.000 0.191 196 N C 1.550 176.993 175.510 -0.112 0.000 1.023 196 N CA 1.832 54.836 53.050 -0.076 0.000 0.857 196 N CB -0.507 37.952 38.487 -0.047 0.000 1.013 196 N HN 0.524 nan 8.380 nan 0.000 0.426 197 D N 0.431 120.770 120.400 -0.101 0.000 2.178 197 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 197 D C 2.067 178.173 176.300 -0.323 0.000 0.980 197 D CA 0.566 54.473 54.000 -0.155 0.000 0.842 197 D CB -0.035 40.716 40.800 -0.081 0.000 0.948 197 D HN 0.376 nan 8.370 nan 0.000 0.472 198 I N 0.333 120.716 120.570 -0.312 0.000 2.277 198 I HA -0.175 3.994 4.170 -0.000 0.000 0.243 198 I C 2.457 178.397 176.117 -0.295 0.000 1.094 198 I CA 0.325 61.401 61.300 -0.374 0.000 1.393 198 I CB -0.072 37.836 38.000 -0.155 0.000 1.078 198 I HN -0.168 nan 8.210 nan 0.000 0.417 199 V N 1.157 120.921 119.914 -0.251 0.000 2.370 199 V HA -0.353 3.767 4.120 -0.000 0.000 0.252 199 V C 2.062 177.972 176.094 -0.307 0.000 1.068 199 V CA 2.087 64.208 62.300 -0.299 0.000 1.061 199 V CB -0.699 30.979 31.823 -0.241 0.000 0.656 199 V HN 0.427 nan 8.190 nan 0.000 0.455 200 D N -0.763 119.482 120.400 -0.257 0.000 2.097 200 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 200 D C 2.376 178.517 176.300 -0.265 0.000 0.989 200 D CA 1.051 54.911 54.000 -0.234 0.000 0.827 200 D CB -0.230 40.467 40.800 -0.172 0.000 0.966 200 D HN 0.382 nan 8.370 nan 0.000 0.456 201 Q N 0.251 119.876 119.800 -0.292 0.000 2.172 201 Q HA -0.017 4.323 4.340 -0.000 0.000 0.200 201 Q C 2.477 178.260 176.000 -0.362 0.000 0.964 201 Q CA 0.216 55.859 55.803 -0.266 0.000 0.855 201 Q CB -0.452 28.143 28.738 -0.237 0.000 0.918 201 Q HN 0.205 nan 8.270 nan 0.000 0.444 202 V N 1.220 120.860 119.914 -0.456 0.000 2.343 202 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 202 V C 2.258 178.061 176.094 -0.484 0.000 1.051 202 V CA 1.432 63.393 62.300 -0.565 0.000 1.036 202 V CB -0.477 31.002 31.823 -0.574 0.000 0.654 202 V HN 0.270 nan 8.190 nan 0.000 0.451 203 I N -0.296 119.966 120.570 -0.513 0.000 2.202 203 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 203 I C 2.533 178.390 176.117 -0.433 0.000 1.091 203 I CA 1.889 62.758 61.300 -0.719 0.000 1.368 203 I CB -0.777 36.834 38.000 -0.649 0.000 1.058 203 I HN 0.299 nan 8.210 nan 0.000 0.410 204 T N 1.374 115.752 114.554 -0.293 0.000 2.720 204 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 204 T C 1.810 176.422 174.700 -0.147 0.000 1.037 204 T CA 1.352 63.345 62.100 -0.179 0.000 1.144 204 T CB -0.283 68.507 68.868 -0.131 0.000 0.864 204 T HN 0.279 nan 8.240 nan 0.000 0.444 205 I N 0.568 121.023 120.570 -0.193 0.000 3.001 205 I HA 0.089 4.259 4.170 -0.000 0.000 0.268 205 I C 1.859 177.900 176.117 -0.126 0.000 1.267 205 I CA 0.537 61.743 61.300 -0.158 0.000 1.472 205 I CB -0.594 37.264 38.000 -0.237 0.000 1.089 205 I HN 0.446 nan 8.210 nan 0.000 0.468 206 G N 1.724 110.454 108.800 -0.117 0.000 2.149 206 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.235 206 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.235 206 G C 0.575 175.438 174.900 -0.061 0.000 1.018 206 G CA -0.046 45.053 45.100 -0.001 0.000 0.728 206 G HN 0.430 nan 8.290 nan 0.000 0.508 207 K N 0.458 120.724 120.400 -0.225 0.000 2.437 207 K HA 0.135 4.455 4.320 -0.000 0.000 0.205 207 K C 1.266 177.616 176.600 -0.416 0.000 1.026 207 K CA 0.208 56.130 56.287 -0.608 0.000 1.153 207 K CB 0.091 32.158 32.500 -0.722 0.000 0.863 207 K HN 0.722 nan 8.250 nan 0.000 0.502 208 H N -0.855 118.040 119.070 -0.292 0.000 2.507 208 H HA 0.103 4.659 4.556 -0.000 0.000 0.294 208 H C 0.329 175.654 175.328 -0.005 0.000 1.064 208 H CA -0.567 55.408 56.048 -0.120 0.000 1.138 208 H CB -1.391 28.279 29.762 -0.152 0.000 1.515 208 H HN -0.087 nan 8.280 nan 0.000 0.547 209 V N -2.009 117.851 119.914 -0.089 0.000 2.997 209 V HA 0.286 4.406 4.120 -0.000 0.000 0.311 209 V C 0.776 176.957 176.094 0.144 0.000 1.066 209 V CA -1.500 60.770 62.300 -0.049 0.000 1.039 209 V CB 1.605 33.425 31.823 -0.006 0.000 1.081 209 V HN 0.235 nan 8.190 nan 0.000 0.467 210 K N 1.021 121.463 120.400 0.070 0.000 2.569 210 K HA 0.276 4.596 4.320 -0.000 0.000 0.280 210 K C 1.176 177.840 176.600 0.107 0.000 0.984 210 K CA 1.385 57.717 56.287 0.075 0.000 1.064 210 K CB -0.238 32.281 32.500 0.033 0.000 0.866 210 K HN 1.587 nan 8.250 nan 0.000 0.492 211 G N 2.718 111.551 108.800 0.054 0.000 2.376 211 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.208 211 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.208 211 G C -0.626 174.185 174.900 -0.148 0.000 1.032 211 G CA -0.143 44.922 45.100 -0.059 0.000 0.641 211 G HN 0.577 nan 8.290 nan 0.000 0.503 212 Y N 1.227 121.519 120.300 -0.013 0.000 2.301 212 Y HA 0.680 5.230 4.550 -0.000 0.000 0.328 212 Y C 0.650 176.534 175.900 -0.027 0.000 1.242 212 Y CA 0.314 58.376 58.100 -0.063 0.000 1.323 212 Y CB 1.010 39.480 38.460 0.017 0.000 1.266 212 Y HN 0.372 nan 8.280 nan 0.000 0.527 213 H N 2.105 121.082 119.070 -0.156 0.000 3.018 213 H HA 0.367 4.923 4.556 -0.000 0.000 0.334 213 H C -1.894 173.350 175.328 -0.140 0.000 0.983 213 H CA -0.815 55.203 56.048 -0.050 0.000 1.363 213 H CB 0.709 30.495 29.762 0.040 0.000 1.668 213 H HN 0.661 nan 8.280 nan 0.000 0.513 214 Y N 4.952 125.548 120.300 0.493 0.000 2.341 214 Y HA 0.348 4.898 4.550 -0.000 0.000 0.337 214 Y C 0.080 176.137 175.900 0.260 0.000 1.014 214 Y CA -0.759 57.532 58.100 0.318 0.000 1.111 214 Y CB 1.345 39.936 38.460 0.218 0.000 1.194 214 Y HN 0.427 nan 8.280 nan 0.000 0.462 215 I N 4.922 125.646 120.570 0.257 0.000 2.354 215 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 215 I C -0.770 175.451 176.117 0.173 0.000 0.989 215 I CA -0.724 60.624 61.300 0.082 0.000 1.188 215 I CB 1.163 39.092 38.000 -0.118 0.000 1.342 215 I HN 0.426 nan 8.210 nan 0.000 0.457 216 I N 6.143 126.832 120.570 0.199 0.000 2.307 216 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 216 I C 0.790 177.097 176.117 0.315 0.000 1.054 216 I CA -0.295 61.162 61.300 0.261 0.000 1.218 216 I CB 1.004 39.230 38.000 0.377 0.000 1.398 216 I HN 0.568 nan 8.210 nan 0.000 0.475 217 A N 6.528 129.493 122.820 0.242 0.000 3.118 217 A HA 0.375 4.695 4.320 -0.000 0.000 0.256 217 A C 0.393 178.046 177.584 0.116 0.000 1.667 217 A CA -0.265 51.905 52.037 0.222 0.000 1.338 217 A CB -0.989 18.062 19.000 0.085 0.000 1.127 217 A HN 0.832 nan 8.150 nan 0.000 0.634 218 N N -1.433 117.369 118.700 0.169 0.000 3.157 218 N HA 0.450 5.190 4.740 -0.000 0.000 0.291 218 N C -0.242 175.211 175.510 -0.095 0.000 1.515 218 N CA -0.890 52.166 53.050 0.010 0.000 0.807 218 N CB 0.460 39.005 38.487 0.097 0.000 1.672 218 N HN -0.049 nan 8.380 nan 0.000 0.592 219 L N -1.274 119.613 121.223 -0.560 0.000 2.667 219 L HA 0.462 4.802 4.340 -0.000 0.000 0.232 219 L C 0.679 177.355 176.870 -0.322 0.000 1.138 219 L CA 0.012 54.497 54.840 -0.592 0.000 0.921 219 L CB 0.146 41.632 42.059 -0.955 0.000 1.180 219 L HN 0.822 nan 8.230 nan 0.000 0.487 220 G N -1.179 107.580 108.800 -0.069 0.000 4.766 220 G HA2 0.128 4.088 3.960 -0.000 0.000 0.331 220 G HA3 0.128 4.088 3.960 -0.000 0.000 0.331 220 G C 0.248 175.298 174.900 0.249 0.000 1.473 220 G CA -0.344 44.905 45.100 0.248 0.000 1.076 220 G HN -0.027 nan 8.290 nan 0.000 0.544 221 F N 2.038 122.047 119.950 0.098 0.000 2.051 221 F HA -0.072 4.455 4.527 -0.000 0.000 0.296 221 F C 2.664 178.511 175.800 0.077 0.000 1.122 221 F CA 2.155 60.197 58.000 0.071 0.000 1.201 221 F CB 0.058 39.078 39.000 0.035 0.000 0.978 221 F HN 0.327 nan 8.300 nan 0.000 0.472 222 T N -2.789 111.869 114.554 0.173 0.000 3.324 222 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 222 T C 0.894 175.645 174.700 0.086 0.000 1.059 222 T CA 0.450 62.587 62.100 0.062 0.000 0.951 222 T CB -0.583 68.369 68.868 0.140 0.000 1.030 222 T HN 0.105 nan 8.240 nan 0.000 0.576 223 D N 1.254 121.722 120.400 0.113 0.000 2.271 223 D HA 0.218 4.858 4.640 -0.000 0.000 0.206 223 D C 1.448 177.784 176.300 0.060 0.000 0.967 223 D CA 0.542 54.623 54.000 0.135 0.000 0.867 223 D CB -0.226 40.702 40.800 0.213 0.000 0.960 223 D HN 0.622 nan 8.370 nan 0.000 0.509 224 G N -0.233 108.561 108.800 -0.010 0.000 2.543 224 G HA2 0.189 4.149 3.960 -0.000 0.000 0.290 224 G HA3 0.189 4.149 3.960 -0.000 0.000 0.290 224 G C -0.596 174.256 174.900 -0.081 0.000 1.310 224 G CA -0.372 44.699 45.100 -0.048 0.000 1.025 224 G HN -0.067 nan 8.290 nan 0.000 0.502 225 D N -0.010 120.340 120.400 -0.083 0.000 2.500 225 D HA 0.192 4.832 4.640 -0.000 0.000 0.219 225 D C 1.115 177.337 176.300 -0.130 0.000 1.137 225 D CA -0.554 53.395 54.000 -0.085 0.000 0.946 225 D CB 0.686 41.452 40.800 -0.057 0.000 1.022 225 D HN -0.019 nan 8.370 nan 0.000 0.518 226 L N 3.294 124.414 121.223 -0.173 0.000 2.240 226 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 226 L C 2.221 178.989 176.870 -0.170 0.000 1.106 226 L CA 0.616 55.325 54.840 -0.218 0.000 0.793 226 L CB -0.706 41.167 42.059 -0.310 0.000 0.927 226 L HN 0.545 nan 8.230 nan 0.000 0.446 227 L N 0.421 121.570 121.223 -0.122 0.000 2.089 227 L HA -0.303 4.037 4.340 -0.000 0.000 0.213 227 L C 2.472 179.319 176.870 -0.039 0.000 1.079 227 L CA 1.813 56.600 54.840 -0.088 0.000 0.758 227 L CB -0.273 41.792 42.059 0.010 0.000 0.891 227 L HN 0.466 nan 8.230 nan 0.000 0.433 228 K N -0.520 119.864 120.400 -0.027 0.000 2.365 228 K HA -0.147 4.173 4.320 -0.000 0.000 0.199 228 K C 1.669 178.269 176.600 -0.000 0.000 1.045 228 K CA 1.314 57.606 56.287 0.008 0.000 0.962 228 K CB -0.048 32.427 32.500 -0.041 0.000 0.759 228 K HN 0.408 nan 8.250 nan 0.000 0.469 229 I N 0.482 121.015 120.570 -0.061 0.000 4.082 229 I HA -0.000 4.170 4.170 -0.000 0.000 0.337 229 I C 1.795 177.867 176.117 -0.075 0.000 1.352 229 I CA -0.057 61.231 61.300 -0.019 0.000 1.097 229 I CB 0.359 38.302 38.000 -0.096 0.000 1.048 229 I HN 0.234 nan 8.210 nan 0.000 0.393 230 Q N 0.428 120.077 119.800 -0.252 0.000 2.224 230 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 230 Q C 0.638 176.267 176.000 -0.618 0.000 0.970 230 Q CA 1.787 57.262 55.803 -0.547 0.000 0.865 230 Q CB 0.163 28.339 28.738 -0.938 0.000 0.922 230 Q HN 0.553 nan 8.270 nan 0.000 0.445 231 F N -2.486 117.476 119.950 0.021 0.000 2.683 231 F HA 0.363 4.890 4.527 -0.000 0.000 0.306 231 F C 1.500 177.269 175.800 -0.053 0.000 1.102 231 F CA 0.039 58.037 58.000 -0.004 0.000 1.244 231 F CB 0.564 39.566 39.000 0.004 0.000 1.029 231 F HN 0.016 nan 8.300 nan 0.000 0.545 232 G N -0.434 108.364 108.800 -0.003 0.000 2.683 232 G HA2 0.341 4.301 3.960 -0.000 0.000 0.213 232 G HA3 0.341 4.301 3.960 -0.000 0.000 0.213 232 G C 1.649 176.425 174.900 -0.205 0.000 1.142 232 G CA 0.689 45.595 45.100 -0.323 0.000 0.793 232 G HN 0.554 nan 8.290 nan 0.000 0.534 233 G N -0.499 108.256 108.800 -0.075 0.000 2.313 233 G HA2 0.109 4.069 3.960 -0.000 0.000 0.215 233 G HA3 0.109 4.069 3.960 -0.000 0.000 0.215 233 G C 0.785 175.688 174.900 0.005 0.000 1.023 233 G CA 0.370 45.454 45.100 -0.028 0.000 0.626 233 G HN 1.398 nan 8.290 nan 0.000 0.503 234 A N 0.479 123.318 122.820 0.031 0.000 2.555 234 A HA 0.482 4.802 4.320 -0.000 0.000 0.233 234 A C 0.452 178.083 177.584 0.078 0.000 1.060 234 A CA 0.995 53.113 52.037 0.136 0.000 0.759 234 A CB -0.122 19.045 19.000 0.279 0.000 0.995 234 A HN 0.732 nan 8.150 nan 0.000 0.506 235 N N -0.421 118.292 118.700 0.021 0.000 2.529 235 N HA 0.481 5.220 4.740 -0.000 0.000 0.278 235 N C -1.169 174.342 175.510 0.001 0.000 1.146 235 N CA -0.340 52.597 53.050 -0.188 0.000 0.980 235 N CB 1.398 39.468 38.487 -0.694 0.000 1.124 235 N HN 0.345 nan 8.380 nan 0.000 0.458 236 V N 1.301 121.239 119.914 0.039 0.000 2.612 236 V HA 0.451 4.571 4.120 -0.000 0.000 0.301 236 V C -0.841 175.404 176.094 0.252 0.000 1.059 236 V CA -0.640 61.822 62.300 0.269 0.000 0.886 236 V CB 1.480 33.460 31.823 0.261 0.000 1.007 236 V HN 0.862 nan 8.190 nan 0.000 0.426 237 S N 2.368 118.190 115.700 0.204 0.000 2.627 237 S HA 1.038 5.508 4.470 -0.000 0.000 0.283 237 S C -0.095 174.175 174.600 -0.550 0.000 1.127 237 S CA -0.211 57.865 58.200 -0.205 0.000 0.863 237 S CB 2.535 65.707 63.200 -0.046 0.000 1.121 237 S HN 1.372 nan 8.310 nan 0.000 0.479 238 G N -0.048 107.998 108.800 -1.256 0.000 2.510 238 G HA2 0.594 4.554 3.960 -0.000 0.000 0.277 238 G HA3 0.594 4.554 3.960 -0.000 0.000 0.277 238 G C -2.279 171.798 174.900 -1.373 0.000 1.223 238 G CA -0.760 43.575 45.100 -1.276 0.000 0.887 238 G HN 0.589 nan 8.290 nan 0.000 0.485 239 F N 0.039 119.851 119.950 -0.230 0.000 2.547 239 F HA 0.723 5.250 4.527 -0.000 0.000 0.316 239 F C -0.173 175.619 175.800 -0.014 0.000 1.121 239 F CA -0.778 57.146 58.000 -0.128 0.000 0.911 239 F CB 2.764 41.688 39.000 -0.127 0.000 1.179 239 F HN 0.357 nan 8.300 nan 0.000 0.443 240 Q N 2.520 122.416 119.800 0.160 0.000 2.327 240 Q HA 0.448 4.788 4.340 -0.000 0.000 0.270 240 Q C -0.295 175.768 176.000 0.104 0.000 1.022 240 Q CA -0.315 55.580 55.803 0.154 0.000 0.773 240 Q CB 1.611 30.462 28.738 0.188 0.000 1.251 240 Q HN 0.734 nan 8.270 nan 0.000 0.457 241 I N 3.935 124.540 120.570 0.057 0.000 3.684 241 I HA 0.180 4.350 4.170 -0.000 0.000 0.304 241 I C -0.718 175.403 176.117 0.006 0.000 1.278 241 I CA 0.439 61.761 61.300 0.037 0.000 1.272 241 I CB 0.721 38.719 38.000 -0.004 0.000 1.029 241 I HN 0.444 nan 8.210 nan 0.000 0.458 242 V N 2.033 121.929 119.914 -0.030 0.000 2.266 242 V HA 0.278 4.397 4.120 -0.000 0.000 0.271 242 V C -0.412 175.501 176.094 -0.302 0.000 1.032 242 V CA -0.951 61.240 62.300 -0.181 0.000 0.806 242 V CB 0.685 32.352 31.823 -0.260 0.000 1.052 242 V HN 0.077 nan 8.190 nan 0.000 0.449 243 D N 2.052 122.347 120.400 -0.175 0.000 2.424 243 D HA 0.120 4.760 4.640 -0.000 0.000 0.244 243 D C 0.159 176.332 176.300 -0.212 0.000 1.134 243 D CA 0.403 54.342 54.000 -0.101 0.000 0.881 243 D CB 0.825 41.613 40.800 -0.021 0.000 1.191 243 D HN 0.509 nan 8.370 nan 0.000 0.445 244 Y N 0.744 121.072 120.300 0.046 0.000 2.555 244 Y HA 0.188 4.738 4.550 -0.000 0.000 0.259 244 Y C 0.715 176.641 175.900 0.043 0.000 1.179 244 Y CA -0.347 57.782 58.100 0.048 0.000 1.230 244 Y CB 0.666 39.159 38.460 0.055 0.000 1.146 244 Y HN 0.293 nan 8.280 nan 0.000 0.526 245 D N -0.722 119.761 120.400 0.138 0.000 2.395 245 D HA 0.034 4.674 4.640 -0.000 0.000 0.213 245 D C 0.192 176.527 176.300 0.058 0.000 1.110 245 D CA 0.290 54.347 54.000 0.096 0.000 0.835 245 D CB 0.183 41.030 40.800 0.080 0.000 0.965 245 D HN 0.180 nan 8.370 nan 0.000 0.505 246 D N -0.609 119.819 120.400 0.045 0.000 2.425 246 D HA 0.103 4.743 4.640 -0.000 0.000 0.274 246 D C 1.473 177.799 176.300 0.044 0.000 1.242 246 D CA 0.116 54.134 54.000 0.030 0.000 1.060 246 D CB 0.591 41.397 40.800 0.011 0.000 1.112 246 D HN 0.014 nan 8.370 nan 0.000 0.561 247 S N -1.426 114.298 115.700 0.040 0.000 2.520 247 S HA 0.102 4.572 4.470 -0.000 0.000 0.219 247 S C 1.695 176.330 174.600 0.060 0.000 1.028 247 S CA -0.399 57.830 58.200 0.048 0.000 0.921 247 S CB 0.101 63.324 63.200 0.038 0.000 0.844 247 S HN 0.355 nan 8.310 nan 0.000 0.495 248 L N 2.155 123.413 121.223 0.059 0.000 2.145 248 L HA 0.107 4.447 4.340 -0.000 0.000 0.201 248 L C 2.493 179.422 176.870 0.098 0.000 1.075 248 L CA 0.973 55.860 54.840 0.078 0.000 0.773 248 L CB -0.118 41.983 42.059 0.069 0.000 0.936 248 L HN 0.328 nan 8.230 nan 0.000 0.451 249 V N -4.005 115.944 119.914 0.059 0.000 2.407 249 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 249 V C 2.466 178.661 176.094 0.168 0.000 1.055 249 V CA 1.976 64.315 62.300 0.065 0.000 1.049 249 V CB -1.079 30.718 31.823 -0.043 0.000 0.662 249 V HN 0.409 nan 8.190 nan 0.000 0.455 250 S N -0.365 115.416 115.700 0.135 0.000 2.368 250 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 250 S C 2.106 176.778 174.600 0.120 0.000 1.029 250 S CA 1.432 59.713 58.200 0.135 0.000 0.988 250 S CB -0.348 62.912 63.200 0.100 0.000 0.838 250 S HN 0.572 nan 8.310 nan 0.000 0.462 251 K N 0.256 120.723 120.400 0.112 0.000 2.148 251 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 251 K C 1.761 178.424 176.600 0.106 0.000 1.050 251 K CA 0.919 57.261 56.287 0.092 0.000 0.942 251 K CB -0.579 31.972 32.500 0.084 0.000 0.724 251 K HN 0.554 nan 8.250 nan 0.000 0.446 252 F N 1.035 120.985 119.950 -0.000 0.000 2.074 252 F HA -0.110 4.417 4.527 -0.000 0.000 0.293 252 F C 2.021 177.831 175.800 0.016 0.000 1.116 252 F CA 0.780 58.758 58.000 -0.037 0.000 1.212 252 F CB -0.333 38.591 39.000 -0.127 0.000 0.998 252 F HN -0.170 nan 8.300 nan 0.000 0.471 253 I N 1.122 121.787 120.570 0.157 0.000 2.800 253 I HA -0.231 3.939 4.170 -0.000 0.000 0.266 253 I C 2.175 178.311 176.117 0.031 0.000 1.249 253 I CA 1.174 62.543 61.300 0.115 0.000 1.458 253 I CB -0.763 37.401 38.000 0.273 0.000 1.093 253 I HN 0.357 nan 8.210 nan 0.000 0.466 254 E N 0.063 120.260 120.200 -0.005 0.000 2.028 254 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 254 E C 2.317 178.875 176.600 -0.070 0.000 0.988 254 E CA 1.166 57.555 56.400 -0.019 0.000 0.799 254 E CB 0.038 29.736 29.700 -0.003 0.000 0.755 254 E HN 0.453 nan 8.360 nan 0.000 0.447 255 R N -0.152 120.268 120.500 -0.134 0.000 2.093 255 R HA -0.063 4.277 4.340 -0.000 0.000 0.224 255 R C 2.306 178.487 176.300 -0.198 0.000 1.101 255 R CA 0.969 56.974 56.100 -0.159 0.000 0.979 255 R CB -0.506 29.689 30.300 -0.176 0.000 0.877 255 R HN 0.406 nan 8.270 nan 0.000 0.441 256 W N 1.704 122.681 121.300 -0.537 0.000 2.317 256 W HA -0.269 4.391 4.660 -0.000 0.000 0.318 256 W C 2.057 178.420 176.519 -0.260 0.000 1.227 256 W CA 2.021 59.060 57.345 -0.510 0.000 1.269 256 W CB -0.386 28.667 29.460 -0.678 0.000 1.155 256 W HN 0.134 nan 8.180 nan 0.000 0.484 257 S N -0.396 115.232 115.700 -0.119 0.000 2.383 257 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 257 S C 1.448 175.874 174.600 -0.290 0.000 1.030 257 S CA 1.885 59.942 58.200 -0.238 0.000 1.002 257 S CB -0.739 62.381 63.200 -0.133 0.000 0.829 257 S HN 0.215 nan 8.310 nan 0.000 0.467 258 T N 2.124 116.591 114.554 -0.145 0.000 3.783 258 T HA 0.506 4.856 4.350 -0.000 0.000 0.262 258 T C -0.629 174.069 174.700 -0.004 0.000 1.381 258 T CA -0.421 61.662 62.100 -0.029 0.000 1.155 258 T CB -0.886 67.964 68.868 -0.030 0.000 1.256 258 T HN 0.220 nan 8.240 nan 0.000 0.807 259 L N 1.712 122.976 121.223 0.069 0.000 2.401 259 L HA 0.512 4.852 4.340 -0.000 0.000 0.266 259 L C 0.036 176.937 176.870 0.052 0.000 0.991 259 L CA -1.168 53.671 54.840 -0.002 0.000 0.818 259 L CB 2.424 44.329 42.059 -0.257 0.000 1.321 259 L HN 0.291 nan 8.230 nan 0.000 0.413 260 E N 1.964 122.191 120.200 0.044 0.000 2.498 260 E HA -0.098 4.252 4.350 -0.000 0.000 0.252 260 E C 0.494 177.062 176.600 -0.053 0.000 1.025 260 E CA 0.191 56.551 56.400 -0.068 0.000 0.938 260 E CB 0.754 30.423 29.700 -0.052 0.000 0.947 260 E HN 0.504 nan 8.360 nan 0.000 0.478 261 E N 3.905 124.006 120.200 -0.165 0.000 2.268 261 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 261 E C 1.621 178.169 176.600 -0.086 0.000 0.995 261 E CA 0.828 57.171 56.400 -0.094 0.000 0.836 261 E CB 0.224 29.858 29.700 -0.110 0.000 0.763 261 E HN 0.314 nan 8.360 nan 0.000 0.491 262 K N 0.394 120.724 120.400 -0.116 0.000 2.305 262 K HA -0.131 4.188 4.320 -0.000 0.000 0.199 262 K C 1.722 178.220 176.600 -0.169 0.000 1.047 262 K CA 0.994 57.208 56.287 -0.121 0.000 0.976 262 K CB 0.239 32.671 32.500 -0.113 0.000 0.765 262 K HN -0.044 nan 8.250 nan 0.000 0.474 263 E N -0.663 119.410 120.200 -0.212 0.000 2.276 263 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 263 E C -0.623 175.566 176.600 -0.685 0.000 0.983 263 E CA 0.632 56.770 56.400 -0.435 0.000 0.861 263 E CB 0.312 29.737 29.700 -0.457 0.000 0.817 263 E HN 0.231 nan 8.360 nan 0.000 0.485 264 Y N 0.162 120.399 120.300 -0.105 0.000 2.592 264 Y HA 0.368 4.918 4.550 -0.000 0.000 0.354 264 Y C -2.367 173.475 175.900 -0.096 0.000 1.063 264 Y CA -3.220 54.821 58.100 -0.097 0.000 1.205 264 Y CB 1.121 39.490 38.460 -0.151 0.000 1.106 264 Y HN -0.069 nan 8.280 nan 0.000 0.649 265 P HA 0.028 nan 4.420 nan 0.000 0.255 265 P C 1.028 178.373 177.300 0.076 0.000 1.173 265 P CA 1.927 65.040 63.100 0.021 0.000 0.780 265 P CB 0.277 31.974 31.700 -0.005 0.000 0.758 266 G N 3.251 112.085 108.800 0.057 0.000 2.176 266 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 266 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 266 G C 0.883 175.826 174.900 0.073 0.000 0.986 266 G CA 0.176 45.337 45.100 0.102 0.000 0.643 266 G HN 0.663 nan 8.290 nan 0.000 0.522 267 A N -0.459 122.261 122.820 -0.166 0.000 2.220 267 A HA 0.364 4.684 4.320 -0.000 0.000 0.211 267 A C 1.106 178.151 177.584 -0.899 0.000 1.176 267 A CA 1.049 52.558 52.037 -0.880 0.000 0.834 267 A CB -0.271 17.915 19.000 -1.357 0.000 0.868 267 A HN 0.703 nan 8.150 nan 0.000 0.488 268 H N 1.572 120.382 119.070 -0.435 0.000 3.001 268 H HA 0.202 4.758 4.556 -0.000 0.000 0.248 268 H C -0.554 174.671 175.328 -0.171 0.000 1.663 268 H CA 0.748 56.613 56.048 -0.306 0.000 1.258 268 H CB -0.326 29.335 29.762 -0.168 0.000 1.547 268 H HN 0.394 nan 8.280 nan 0.000 0.557 269 T N -1.482 112.928 114.554 -0.239 0.000 2.676 269 T HA 0.534 4.884 4.350 -0.000 0.000 0.269 269 T C 1.014 175.751 174.700 0.062 0.000 0.952 269 T CA -0.087 61.994 62.100 -0.030 0.000 1.040 269 T CB 1.430 70.393 68.868 0.158 0.000 1.352 269 T HN 0.258 nan 8.240 nan 0.000 0.554 270 A N 0.464 123.354 122.820 0.117 0.000 1.988 270 A HA 0.394 4.714 4.320 -0.000 0.000 0.201 270 A C 1.269 178.953 177.584 0.167 0.000 1.410 270 A CA 0.505 52.608 52.037 0.109 0.000 0.832 270 A CB -0.716 18.286 19.000 0.003 0.000 0.981 270 A HN 0.831 nan 8.150 nan 0.000 0.492 271 T N -1.543 113.096 114.554 0.142 0.000 2.874 271 T HA 0.632 4.982 4.350 -0.000 0.000 0.281 271 T C -0.278 174.603 174.700 0.301 0.000 0.994 271 T CA -0.389 61.818 62.100 0.179 0.000 1.015 271 T CB 1.482 70.408 68.868 0.097 0.000 1.028 271 T HN 0.525 nan 8.240 nan 0.000 0.523 272 I N 0.427 121.166 120.570 0.281 0.000 2.548 272 I HA 0.395 4.565 4.170 -0.000 0.000 0.287 272 I C -0.527 175.679 176.117 0.148 0.000 1.103 272 I CA -1.105 60.281 61.300 0.143 0.000 1.049 272 I CB 1.706 39.569 38.000 -0.228 0.000 1.232 272 I HN 0.680 nan 8.210 nan 0.000 0.429 273 K N 5.647 126.144 120.400 0.161 0.000 2.542 273 K HA -0.071 4.249 4.320 -0.000 0.000 0.276 273 K C 0.576 177.254 176.600 0.130 0.000 0.963 273 K CA 0.850 57.229 56.287 0.152 0.000 0.975 273 K CB 0.396 32.953 32.500 0.095 0.000 0.901 273 K HN 0.613 nan 8.250 nan 0.000 0.506 274 Y N 0.075 120.433 120.300 0.097 0.000 2.114 274 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 274 Y C 2.301 178.258 175.900 0.095 0.000 1.143 274 Y CA 1.547 59.690 58.100 0.071 0.000 1.135 274 Y CB -1.336 37.168 38.460 0.073 0.000 0.980 274 Y HN 0.757 nan 8.280 nan 0.000 0.499 275 T N -1.836 112.372 114.554 -0.576 0.000 2.665 275 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 275 T C 2.137 176.875 174.700 0.063 0.000 1.035 275 T CA 2.004 63.953 62.100 -0.252 0.000 1.151 275 T CB -1.265 67.441 68.868 -0.272 0.000 0.862 275 T HN 0.507 nan 8.240 nan 0.000 0.438 276 S N 1.415 117.157 115.700 0.069 0.000 2.370 276 S HA -0.004 4.466 4.470 -0.000 0.000 0.226 276 S C 2.486 177.157 174.600 0.118 0.000 1.033 276 S CA 1.451 59.752 58.200 0.169 0.000 1.011 276 S CB -1.043 62.255 63.200 0.163 0.000 0.852 276 S HN 0.800 nan 8.310 nan 0.000 0.457 277 A N 1.326 124.161 122.820 0.025 0.000 1.902 277 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 277 A C 2.217 179.835 177.584 0.057 0.000 1.181 277 A CA 1.449 53.458 52.037 -0.048 0.000 0.623 277 A CB -0.813 18.136 19.000 -0.085 0.000 0.818 277 A HN 0.577 nan 8.150 nan 0.000 0.443 278 L N -0.707 120.575 121.223 0.100 0.000 2.131 278 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 278 L C 2.758 179.716 176.870 0.146 0.000 1.092 278 L CA 1.613 56.520 54.840 0.113 0.000 0.759 278 L CB -0.886 41.248 42.059 0.125 0.000 0.903 278 L HN 0.351 nan 8.230 nan 0.000 0.435 279 T N -1.054 113.638 114.554 0.230 0.000 2.684 279 T HA -0.289 4.060 4.350 -0.000 0.000 0.267 279 T C 1.645 176.447 174.700 0.170 0.000 1.036 279 T CA 1.786 64.066 62.100 0.299 0.000 1.148 279 T CB -0.430 68.750 68.868 0.520 0.000 0.863 279 T HN 0.361 nan 8.240 nan 0.000 0.436 280 Y N 2.278 122.624 120.300 0.077 0.000 2.070 280 Y HA -0.238 4.312 4.550 -0.000 0.000 0.280 280 Y C 2.201 178.074 175.900 -0.045 0.000 1.148 280 Y CA 1.826 59.940 58.100 0.024 0.000 1.125 280 Y CB -0.413 38.021 38.460 -0.043 0.000 0.975 280 Y HN 0.109 nan 8.280 nan 0.000 0.492 281 D N 0.356 120.711 120.400 -0.075 0.000 2.190 281 D HA -0.229 4.411 4.640 -0.000 0.000 0.200 281 D C 2.234 178.396 176.300 -0.230 0.000 0.992 281 D CA 1.373 55.258 54.000 -0.190 0.000 0.854 281 D CB -0.630 40.151 40.800 -0.032 0.000 0.936 281 D HN 0.543 nan 8.370 nan 0.000 0.462 282 A N 0.416 123.144 122.820 -0.154 0.000 1.908 282 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 282 A C 2.529 179.932 177.584 -0.300 0.000 1.181 282 A CA 1.313 53.249 52.037 -0.169 0.000 0.627 282 A CB -0.783 18.096 19.000 -0.200 0.000 0.818 282 A HN 0.173 nan 8.150 nan 0.000 0.445 283 V N 0.005 119.681 119.914 -0.397 0.000 2.407 283 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 283 V C 2.719 178.500 176.094 -0.523 0.000 1.055 283 V CA 2.313 64.358 62.300 -0.426 0.000 1.049 283 V CB -0.676 30.892 31.823 -0.426 0.000 0.662 283 V HN 0.764 nan 8.190 nan 0.000 0.455 284 Q N -0.599 118.715 119.800 -0.811 0.000 2.119 284 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 284 Q C 2.247 177.936 176.000 -0.518 0.000 0.972 284 Q CA 1.693 56.828 55.803 -1.113 0.000 0.847 284 Q CB 0.045 27.983 28.738 -1.334 0.000 0.903 284 Q HN 0.529 nan 8.270 nan 0.000 0.433 285 V N 0.776 120.493 119.914 -0.328 0.000 2.323 285 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 285 V C 2.219 178.246 176.094 -0.112 0.000 1.041 285 V CA 1.614 63.813 62.300 -0.169 0.000 1.025 285 V CB -0.350 31.421 31.823 -0.086 0.000 0.656 285 V HN 0.433 nan 8.190 nan 0.000 0.451 286 M N -0.745 118.788 119.600 -0.112 0.000 2.632 286 M HA -0.105 4.375 4.480 -0.000 0.000 0.256 286 M C 1.804 178.115 176.300 0.019 0.000 1.080 286 M CA 1.227 56.519 55.300 -0.013 0.000 1.084 286 M CB -0.486 32.072 32.600 -0.070 0.000 1.439 286 M HN 0.374 nan 8.290 nan 0.000 0.509 287 T N -0.026 114.496 114.554 -0.053 0.000 2.967 287 T HA -0.019 4.331 4.350 -0.000 0.000 0.238 287 T C 1.466 176.244 174.700 0.130 0.000 1.024 287 T CA 0.770 62.895 62.100 0.041 0.000 1.234 287 T CB -0.124 68.709 68.868 -0.058 0.000 0.931 287 T HN 0.370 nan 8.240 nan 0.000 0.417 288 E N 1.522 121.731 120.200 0.016 0.000 2.273 288 E HA -0.101 4.249 4.350 -0.000 0.000 0.198 288 E C 2.246 178.881 176.600 0.059 0.000 1.002 288 E CA 0.762 57.185 56.400 0.037 0.000 0.828 288 E CB -0.198 29.487 29.700 -0.024 0.000 0.747 288 E HN 0.433 nan 8.360 nan 0.000 0.491 289 A N 0.920 123.777 122.820 0.062 0.000 1.835 289 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 289 A C 1.869 179.479 177.584 0.043 0.000 1.199 289 A CA 1.181 53.233 52.037 0.026 0.000 0.615 289 A CB -0.886 18.130 19.000 0.026 0.000 0.838 289 A HN 0.234 nan 8.150 nan 0.000 0.444 290 F N -0.436 119.514 119.950 0.001 0.000 2.365 290 F HA -0.068 4.459 4.527 -0.000 0.000 0.300 290 F C 2.449 178.333 175.800 0.140 0.000 1.090 290 F CA 1.392 59.401 58.000 0.015 0.000 1.408 290 F CB -0.042 38.873 39.000 -0.141 0.000 1.060 290 F HN 0.194 nan 8.300 nan 0.000 0.534 291 R N 0.755 121.454 120.500 0.333 0.000 2.090 291 R HA -0.114 4.225 4.340 -0.000 0.000 0.228 291 R C 1.658 178.034 176.300 0.126 0.000 1.110 291 R CA 1.767 58.017 56.100 0.251 0.000 0.973 291 R CB -0.334 30.071 30.300 0.175 0.000 0.869 291 R HN 0.336 nan 8.270 nan 0.000 0.440 292 N N 0.180 118.924 118.700 0.073 0.000 2.270 292 N HA -0.136 4.604 4.740 -0.000 0.000 0.181 292 N C 1.568 177.080 175.510 0.003 0.000 1.016 292 N CA 0.473 53.537 53.050 0.024 0.000 0.870 292 N CB 0.008 38.494 38.487 -0.002 0.000 0.979 292 N HN 0.093 nan 8.380 nan 0.000 0.431 293 L N 1.486 122.697 121.223 -0.020 0.000 2.217 293 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 293 L C 2.100 178.970 176.870 0.001 0.000 1.107 293 L CA 1.436 56.238 54.840 -0.064 0.000 0.783 293 L CB -0.269 41.663 42.059 -0.212 0.000 0.919 293 L HN 0.014 nan 8.230 nan 0.000 0.442 294 R N -0.627 119.912 120.500 0.066 0.000 2.161 294 R HA -0.016 4.324 4.340 -0.000 0.000 0.213 294 R C 1.677 178.013 176.300 0.061 0.000 1.055 294 R CA 0.618 56.773 56.100 0.092 0.000 0.996 294 R CB 0.069 30.475 30.300 0.176 0.000 0.901 294 R HN 0.287 nan 8.270 nan 0.000 0.456 295 K N 0.186 120.615 120.400 0.050 0.000 2.505 295 K HA -0.021 4.299 4.320 -0.000 0.000 0.192 295 K C 0.775 177.386 176.600 0.019 0.000 1.025 295 K CA 0.489 56.795 56.287 0.032 0.000 1.086 295 K CB 0.401 32.918 32.500 0.028 0.000 0.840 295 K HN 0.307 nan 8.250 nan 0.000 0.514 296 Q N 0.088 119.897 119.800 0.015 0.000 2.171 296 Q HA 0.182 4.522 4.340 -0.000 0.000 0.218 296 Q C -0.739 175.267 176.000 0.010 0.000 0.822 296 Q CA -0.239 55.568 55.803 0.006 0.000 0.987 296 Q CB 0.772 29.507 28.738 -0.005 0.000 1.144 296 Q HN 0.125 nan 8.270 nan 0.000 0.494 297 R N 1.451 121.963 120.500 0.019 0.000 3.158 297 R HA -0.154 4.186 4.340 -0.000 0.000 0.244 297 R C -0.689 175.623 176.300 0.020 0.000 0.900 297 R CA 0.385 56.499 56.100 0.023 0.000 0.618 297 R CB -1.301 29.011 30.300 0.020 0.000 1.061 297 R HN 0.235 nan 8.270 nan 0.000 0.471 298 I N 1.664 122.245 120.570 0.018 0.000 2.395 298 I HA 0.073 4.243 4.170 -0.000 0.000 0.282 298 I C 0.660 176.796 176.117 0.032 0.000 1.107 298 I CA -0.759 60.552 61.300 0.017 0.000 1.210 298 I CB 0.744 38.744 38.000 -0.001 0.000 1.456 298 I HN 0.114 nan 8.210 nan 0.000 0.504 299 E N 5.512 125.735 120.200 0.039 0.000 2.463 299 E HA -0.029 4.321 4.350 -0.000 0.000 0.248 299 E C 1.053 177.695 176.600 0.070 0.000 1.106 299 E CA 0.237 56.665 56.400 0.048 0.000 0.946 299 E CB 0.290 30.013 29.700 0.040 0.000 0.971 299 E HN 0.613 nan 8.360 nan 0.000 0.478 300 I N 1.432 122.054 120.570 0.086 0.000 3.875 300 I HA 0.232 4.402 4.170 -0.000 0.000 0.329 300 I C 0.677 176.883 176.117 0.148 0.000 1.295 300 I CA -0.468 60.928 61.300 0.160 0.000 1.129 300 I CB 0.296 38.424 38.000 0.213 0.000 1.008 300 I HN 0.236 nan 8.210 nan 0.000 0.413 301 S N 2.923 118.658 115.700 0.058 0.000 2.670 301 S HA -0.027 4.443 4.470 -0.000 0.000 0.308 301 S C 0.639 175.287 174.600 0.079 0.000 1.232 301 S CA -0.234 57.974 58.200 0.013 0.000 1.126 301 S CB -0.042 63.156 63.200 -0.004 0.000 0.897 301 S HN 0.632 nan 8.310 nan 0.000 0.508 302 R N 4.536 125.114 120.500 0.130 0.000 2.623 302 R HA 0.092 4.432 4.340 -0.000 0.000 0.271 302 R C 1.476 177.798 176.300 0.036 0.000 1.043 302 R CA -0.385 55.775 56.100 0.100 0.000 1.083 302 R CB 0.468 30.807 30.300 0.065 0.000 0.974 302 R HN 0.676 nan 8.270 nan 0.000 0.436 303 R N 2.710 123.223 120.500 0.022 0.000 2.126 303 R HA -0.084 4.256 4.340 -0.000 0.000 0.224 303 R C 1.224 177.516 176.300 -0.013 0.000 1.128 303 R CA 1.853 57.960 56.100 0.010 0.000 0.895 303 R CB -1.070 29.239 30.300 0.014 0.000 0.817 303 R HN 0.832 nan 8.270 nan 0.000 0.435 304 G N 0.197 108.975 108.800 -0.036 0.000 3.356 304 G HA2 0.163 4.123 3.960 -0.000 0.000 0.178 304 G HA3 0.163 4.123 3.960 -0.000 0.000 0.178 304 G C -0.484 174.359 174.900 -0.094 0.000 1.175 304 G CA -0.495 44.574 45.100 -0.051 0.000 0.840 304 G HN 0.154 nan 8.290 nan 0.000 0.658 305 N N 0.961 119.598 118.700 -0.105 0.000 2.513 305 N HA 0.300 5.040 4.740 -0.000 0.000 0.268 305 N C 1.285 176.649 175.510 -0.244 0.000 1.180 305 N CA 0.450 53.404 53.050 -0.160 0.000 0.948 305 N CB 1.639 40.052 38.487 -0.123 0.000 1.083 305 N HN 0.484 nan 8.380 nan 0.000 0.455 306 A N 1.960 124.538 122.820 -0.403 0.000 2.024 306 A HA 0.135 4.455 4.320 -0.000 0.000 0.220 306 A C 1.152 178.397 177.584 -0.566 0.000 1.164 306 A CA 1.564 53.213 52.037 -0.647 0.000 0.643 306 A CB -0.936 17.450 19.000 -1.023 0.000 0.806 306 A HN 0.987 nan 8.150 nan 0.000 0.451 307 G N -1.225 107.359 108.800 -0.360 0.000 2.660 307 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.247 307 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.247 307 G C -0.755 174.179 174.900 0.056 0.000 1.328 307 G CA -0.075 44.958 45.100 -0.113 0.000 0.884 307 G HN 0.440 nan 8.290 nan 0.000 0.531 308 D N -0.898 119.616 120.400 0.190 0.000 2.341 308 D HA 0.322 4.962 4.640 -0.000 0.000 0.245 308 D C 1.716 178.278 176.300 0.436 0.000 1.106 308 D CA 0.252 54.408 54.000 0.259 0.000 0.905 308 D CB 1.418 42.304 40.800 0.143 0.000 1.202 308 D HN 0.537 nan 8.370 nan 0.000 0.426 309 c N 2.825 121.631 118.600 0.343 0.000 2.413 309 c HA -0.090 4.480 4.570 -0.000 0.000 0.277 309 c C 2.052 176.140 174.090 -0.004 0.000 1.228 309 c CA 0.500 56.882 56.329 0.088 0.000 1.731 309 c CB -0.826 41.792 42.510 0.180 0.000 2.042 309 c HN 0.589 nan 8.230 nan 0.000 0.468 310 L N 1.372 122.638 121.223 0.072 0.000 2.805 310 L HA 0.293 4.633 4.340 -0.000 0.000 0.237 310 L C 0.959 177.846 176.870 0.030 0.000 1.252 310 L CA -0.348 54.508 54.840 0.027 0.000 1.064 310 L CB -1.059 41.035 42.059 0.059 0.000 1.361 310 L HN 0.267 nan 8.230 nan 0.000 0.474 311 A N 1.276 124.131 122.820 0.059 0.000 2.546 311 A HA 0.086 4.406 4.320 -0.000 0.000 0.243 311 A C 0.102 177.705 177.584 0.032 0.000 1.063 311 A CA 0.224 52.302 52.037 0.069 0.000 0.757 311 A CB -0.170 18.903 19.000 0.121 0.000 0.991 311 A HN 0.541 nan 8.150 nan 0.000 0.503 312 N N 2.529 121.245 118.700 0.027 0.000 2.354 312 N HA 0.617 5.357 4.740 -0.000 0.000 0.287 312 N C -2.324 173.196 175.510 0.015 0.000 1.016 312 N CA -1.183 51.874 53.050 0.012 0.000 0.871 312 N CB 1.412 39.903 38.487 0.006 0.000 1.299 312 N HN 0.594 nan 8.380 nan 0.000 0.482 313 P HA 0.307 nan 4.420 nan 0.000 0.279 313 P C -1.070 176.236 177.300 0.010 0.000 1.239 313 P CA -0.629 62.473 63.100 0.003 0.000 0.789 313 P CB 1.230 32.931 31.700 0.002 0.000 0.933 314 A N 2.446 125.263 122.820 -0.005 0.000 2.473 314 A HA 0.260 4.579 4.320 -0.000 0.000 0.282 314 A C 0.085 177.681 177.584 0.021 0.000 1.163 314 A CA -0.364 51.677 52.037 0.006 0.000 0.827 314 A CB -0.394 18.577 19.000 -0.048 0.000 1.098 314 A HN 0.485 nan 8.150 nan 0.000 0.515 315 V N 6.736 126.681 119.914 0.051 0.000 2.334 315 V HA 0.468 4.587 4.120 -0.000 0.000 0.281 315 V C -2.251 173.876 176.094 0.055 0.000 1.016 315 V CA -1.958 60.364 62.300 0.036 0.000 0.832 315 V CB 1.184 33.026 31.823 0.032 0.000 0.999 315 V HN 0.843 nan 8.190 nan 0.000 0.439 316 P HA 0.170 nan 4.420 nan 0.000 0.268 316 P C -0.572 176.683 177.300 -0.074 0.000 1.205 316 P CA -0.156 62.875 63.100 -0.114 0.000 0.771 316 P CB 0.280 31.623 31.700 -0.596 0.000 0.858 317 W N 2.289 123.521 121.300 -0.113 0.000 2.303 317 W HA 0.315 4.975 4.660 -0.000 0.000 0.318 317 W C 0.796 177.255 176.519 -0.100 0.000 1.362 317 W CA -0.650 56.651 57.345 -0.072 0.000 1.234 317 W CB -0.813 28.635 29.460 -0.021 0.000 1.248 317 W HN 0.595 nan 8.180 nan 0.000 0.546 318 G N 3.944 112.735 108.800 -0.015 0.000 2.491 318 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.218 318 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.218 318 G C 1.538 176.370 174.900 -0.114 0.000 1.180 318 G CA 1.393 46.431 45.100 -0.103 0.000 0.774 318 G HN 0.659 nan 8.290 nan 0.000 0.562 319 Q N 1.109 120.925 119.800 0.026 0.000 2.297 319 Q HA -0.024 4.316 4.340 -0.000 0.000 0.208 319 Q C 2.385 178.287 176.000 -0.164 0.000 0.981 319 Q CA 1.720 57.548 55.803 0.043 0.000 0.876 319 Q CB -1.291 27.590 28.738 0.239 0.000 0.921 319 Q HN 0.377 nan 8.270 nan 0.000 0.446 320 G N 1.687 110.045 108.800 -0.736 0.000 2.469 320 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 320 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 320 G C 1.561 176.370 174.900 -0.152 0.000 1.150 320 G CA 1.506 45.968 45.100 -1.063 0.000 0.763 320 G HN 0.313 nan 8.290 nan 0.000 0.561 321 V N 0.672 120.587 119.914 0.003 0.000 2.490 321 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 321 V C 2.558 178.641 176.094 -0.018 0.000 1.061 321 V CA 2.259 64.645 62.300 0.143 0.000 1.064 321 V CB -0.313 31.592 31.823 0.136 0.000 0.670 321 V HN 0.476 nan 8.190 nan 0.000 0.461 322 E N 0.280 120.454 120.200 -0.044 0.000 2.170 322 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 322 E C 2.002 178.542 176.600 -0.100 0.000 0.981 322 E CA 0.862 57.223 56.400 -0.065 0.000 0.830 322 E CB -0.253 29.420 29.700 -0.044 0.000 0.775 322 E HN 0.540 nan 8.360 nan 0.000 0.470 323 I N 1.032 121.548 120.570 -0.090 0.000 2.163 323 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 323 I C 2.485 178.532 176.117 -0.116 0.000 1.085 323 I CA 1.743 62.966 61.300 -0.129 0.000 1.347 323 I CB -0.281 37.725 38.000 0.010 0.000 1.044 323 I HN 0.330 nan 8.210 nan 0.000 0.408 324 E N 1.008 121.160 120.200 -0.081 0.000 2.160 324 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 324 E C 2.314 178.788 176.600 -0.210 0.000 0.991 324 E CA 1.150 57.443 56.400 -0.179 0.000 0.810 324 E CB 0.073 29.489 29.700 -0.474 0.000 0.742 324 E HN 0.416 nan 8.360 nan 0.000 0.466 325 R N -0.196 120.198 120.500 -0.176 0.000 2.075 325 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 325 R C 2.475 178.689 176.300 -0.143 0.000 1.114 325 R CA 0.866 56.877 56.100 -0.149 0.000 0.972 325 R CB -0.239 29.993 30.300 -0.114 0.000 0.869 325 R HN 0.163 nan 8.270 nan 0.000 0.437 326 A N 1.623 124.349 122.820 -0.155 0.000 1.873 326 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 326 A C 2.162 179.645 177.584 -0.169 0.000 1.193 326 A CA 1.456 53.396 52.037 -0.161 0.000 0.629 326 A CB -0.815 18.047 19.000 -0.230 0.000 0.826 326 A HN 0.186 nan 8.150 nan 0.000 0.447 327 L N -0.746 120.358 121.223 -0.197 0.000 1.971 327 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 327 L C 2.284 178.927 176.870 -0.379 0.000 1.072 327 L CA 2.023 56.705 54.840 -0.263 0.000 0.758 327 L CB -0.514 41.403 42.059 -0.238 0.000 0.889 327 L HN 0.334 nan 8.230 nan 0.000 0.433 328 K N 0.034 120.246 120.400 -0.313 0.000 2.616 328 K HA -0.103 4.217 4.320 -0.000 0.000 0.192 328 K C 0.591 177.129 176.600 -0.104 0.000 1.031 328 K CA 0.573 56.711 56.287 -0.248 0.000 1.004 328 K CB -0.050 32.370 32.500 -0.132 0.000 0.810 328 K HN 0.476 nan 8.250 nan 0.000 0.497 329 Q N 0.664 120.396 119.800 -0.114 0.000 2.158 329 Q HA 0.169 4.509 4.340 -0.000 0.000 0.306 329 Q C -1.174 174.807 176.000 -0.031 0.000 0.878 329 Q CA -0.239 55.537 55.803 -0.045 0.000 1.136 329 Q CB 1.448 30.156 28.738 -0.050 0.000 1.253 329 Q HN -0.060 nan 8.270 nan 0.000 0.441 330 V N 1.449 121.346 119.914 -0.028 0.000 2.459 330 V HA 0.323 4.443 4.120 -0.000 0.000 0.295 330 V C -0.418 175.719 176.094 0.073 0.000 1.029 330 V CA -0.450 61.850 62.300 0.000 0.000 0.874 330 V CB 1.904 33.702 31.823 -0.042 0.000 0.985 330 V HN 0.258 nan 8.190 nan 0.000 0.438 331 Q N 4.234 124.067 119.800 0.054 0.000 2.695 331 Q HA 0.635 4.975 4.340 -0.000 0.000 0.246 331 Q C -1.221 174.806 176.000 0.044 0.000 0.961 331 Q CA -0.298 55.545 55.803 0.067 0.000 0.708 331 Q CB 1.805 30.578 28.738 0.057 0.000 1.282 331 Q HN 0.780 nan 8.270 nan 0.000 0.482 332 V N -0.733 119.208 119.914 0.044 0.000 3.084 332 V HA 0.675 4.795 4.120 -0.000 0.000 0.311 332 V C -1.024 175.088 176.094 0.031 0.000 1.311 332 V CA -0.938 61.379 62.300 0.029 0.000 1.062 332 V CB 2.213 34.044 31.823 0.013 0.000 1.113 332 V HN 0.470 nan 8.190 nan 0.000 0.468 333 E N 0.303 120.521 120.200 0.031 0.000 2.195 333 E HA 0.781 5.131 4.350 -0.000 0.000 0.271 333 E C -0.130 176.492 176.600 0.038 0.000 0.923 333 E CA 0.148 56.567 56.400 0.032 0.000 0.790 333 E CB 1.804 31.524 29.700 0.033 0.000 1.155 333 E HN 1.191 nan 8.360 nan 0.000 0.402 334 G N 0.532 109.349 108.800 0.029 0.000 2.911 334 G HA2 0.306 4.266 3.960 -0.000 0.000 0.299 334 G HA3 0.306 4.266 3.960 -0.000 0.000 0.299 334 G C 0.459 175.359 174.900 -0.000 0.000 1.283 334 G CA -0.696 44.426 45.100 0.037 0.000 0.805 334 G HN 0.402 nan 8.290 nan 0.000 0.548 335 L N 0.391 121.594 121.223 -0.033 0.000 2.265 335 L HA -0.008 4.332 4.340 -0.000 0.000 0.215 335 L C 2.344 179.161 176.870 -0.088 0.000 1.117 335 L CA 1.141 55.904 54.840 -0.127 0.000 0.782 335 L CB -0.191 41.713 42.059 -0.258 0.000 0.914 335 L HN 0.333 nan 8.230 nan 0.000 0.441 336 S N -0.267 115.411 115.700 -0.036 0.000 2.650 336 S HA 0.282 4.752 4.470 -0.000 0.000 0.219 336 S C 1.196 175.800 174.600 0.007 0.000 0.960 336 S CA 0.418 58.610 58.200 -0.013 0.000 0.925 336 S CB -0.044 63.154 63.200 -0.004 0.000 0.775 336 S HN 0.685 nan 8.310 nan 0.000 0.525 337 G N 2.769 111.567 108.800 -0.003 0.000 2.498 337 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.251 337 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.251 337 G C -0.296 174.618 174.900 0.024 0.000 1.170 337 G CA -0.341 44.766 45.100 0.011 0.000 0.944 337 G HN 0.412 nan 8.290 nan 0.000 0.567 338 N N 1.687 120.409 118.700 0.036 0.000 2.402 338 N HA 0.255 4.994 4.740 -0.000 0.000 0.259 338 N C 0.483 176.027 175.510 0.057 0.000 1.167 338 N CA -0.027 53.047 53.050 0.040 0.000 0.949 338 N CB -0.347 38.158 38.487 0.030 0.000 1.212 338 N HN 0.456 nan 8.380 nan 0.000 0.493 339 I N 3.177 123.778 120.570 0.052 0.000 2.363 339 I HA 0.091 4.261 4.170 -0.000 0.000 0.292 339 I C 0.609 176.787 176.117 0.102 0.000 1.075 339 I CA 0.047 61.383 61.300 0.060 0.000 1.333 339 I CB 0.271 38.319 38.000 0.079 0.000 1.415 339 I HN 0.269 nan 8.210 nan 0.000 0.502 340 K N 6.049 126.489 120.400 0.066 0.000 2.498 340 K HA 0.583 4.903 4.320 -0.000 0.000 0.254 340 K C -1.573 175.052 176.600 0.042 0.000 0.933 340 K CA -0.551 55.815 56.287 0.130 0.000 0.806 340 K CB 2.112 34.669 32.500 0.094 0.000 1.301 340 K HN 0.152 nan 8.250 nan 0.000 0.432 341 F N 1.042 121.018 119.950 0.043 0.000 2.557 341 F HA 0.376 4.903 4.527 -0.000 0.000 0.336 341 F C 0.388 176.210 175.800 0.037 0.000 1.058 341 F CA -0.161 57.864 58.000 0.040 0.000 0.988 341 F CB 1.344 40.355 39.000 0.017 0.000 1.275 341 F HN 0.639 nan 8.300 nan 0.000 0.488 342 D N -0.721 119.812 120.400 0.222 0.000 2.497 342 D HA 0.156 4.796 4.640 -0.000 0.000 0.243 342 D C 0.507 176.878 176.300 0.118 0.000 1.039 342 D CA -0.610 53.471 54.000 0.133 0.000 1.052 342 D CB 0.763 41.617 40.800 0.090 0.000 1.344 342 D HN 0.596 nan 8.370 nan 0.000 0.553 343 Q N -0.452 119.384 119.800 0.060 0.000 2.217 343 Q HA -0.206 4.134 4.340 -0.000 0.000 0.209 343 Q C 0.259 176.268 176.000 0.015 0.000 0.988 343 Q CA 1.521 57.336 55.803 0.020 0.000 0.878 343 Q CB -0.092 28.647 28.738 0.001 0.000 0.909 343 Q HN 0.423 nan 8.270 nan 0.000 0.424 344 N N -1.410 117.319 118.700 0.049 0.000 2.235 344 N HA 0.078 4.818 4.740 -0.000 0.000 0.209 344 N C 0.637 176.209 175.510 0.104 0.000 1.122 344 N CA 0.779 53.859 53.050 0.051 0.000 0.845 344 N CB 1.254 39.770 38.487 0.048 0.000 1.004 344 N HN 0.442 nan 8.380 nan 0.000 0.499 345 G N 1.117 110.019 108.800 0.171 0.000 2.205 345 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.261 345 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.261 345 G C 0.111 175.195 174.900 0.307 0.000 0.980 345 G CA 0.075 45.372 45.100 0.328 0.000 0.632 345 G HN 0.169 nan 8.290 nan 0.000 0.533 346 K N 1.072 121.558 120.400 0.144 0.000 2.326 346 K HA 0.313 4.633 4.320 -0.000 0.000 0.275 346 K C 0.871 177.427 176.600 -0.074 0.000 1.018 346 K CA -0.436 55.872 56.287 0.034 0.000 0.962 346 K CB 0.720 33.257 32.500 0.061 0.000 0.953 346 K HN 0.315 nan 8.250 nan 0.000 0.475 347 R N 1.884 122.255 120.500 -0.214 0.000 2.543 347 R HA 0.198 4.538 4.340 -0.000 0.000 0.277 347 R C 0.445 176.820 176.300 0.124 0.000 1.074 347 R CA -0.076 55.859 56.100 -0.275 0.000 1.076 347 R CB 0.180 30.208 30.300 -0.453 0.000 0.993 347 R HN 0.630 nan 8.270 nan 0.000 0.459 348 I N -1.150 119.527 120.570 0.178 0.000 3.279 348 I HA 0.347 4.517 4.170 -0.000 0.000 0.315 348 I C 0.034 176.242 176.117 0.152 0.000 1.187 348 I CA -0.885 60.549 61.300 0.224 0.000 0.953 348 I CB 1.647 39.708 38.000 0.102 0.000 1.279 348 I HN 0.605 nan 8.210 nan 0.000 0.465 349 N N 0.466 119.167 118.700 0.001 0.000 2.708 349 N HA -0.276 4.464 4.740 -0.000 0.000 0.249 349 N C -1.224 174.294 175.510 0.014 0.000 1.097 349 N CA 1.700 54.733 53.050 -0.028 0.000 0.710 349 N CB -1.283 37.212 38.487 0.013 0.000 1.032 349 N HN 0.823 nan 8.380 nan 0.000 0.551 350 Y N -2.399 117.911 120.300 0.017 0.000 2.420 350 Y HA 0.791 5.341 4.550 -0.000 0.000 0.334 350 Y C 0.089 176.038 175.900 0.081 0.000 1.094 350 Y CA -0.940 57.175 58.100 0.026 0.000 1.126 350 Y CB 1.202 39.666 38.460 0.006 0.000 1.217 350 Y HN -0.024 nan 8.280 nan 0.000 0.462 351 T N 4.883 119.557 114.554 0.200 0.000 2.856 351 T HA 0.574 4.924 4.350 -0.000 0.000 0.283 351 T C -0.471 174.412 174.700 0.305 0.000 1.008 351 T CA -0.591 61.626 62.100 0.194 0.000 0.997 351 T CB 1.140 70.058 68.868 0.083 0.000 0.992 351 T HN 0.620 nan 8.240 nan 0.000 0.454 352 I N 3.038 123.832 120.570 0.373 0.000 2.377 352 I HA 0.311 4.481 4.170 -0.000 0.000 0.293 352 I C -0.026 176.260 176.117 0.282 0.000 0.987 352 I CA -1.014 60.475 61.300 0.315 0.000 1.185 352 I CB 1.346 39.538 38.000 0.320 0.000 1.341 352 I HN 0.456 nan 8.210 nan 0.000 0.455 353 N N 5.749 124.567 118.700 0.197 0.000 2.497 353 N HA 0.323 5.063 4.740 -0.000 0.000 0.271 353 N C -0.726 174.839 175.510 0.091 0.000 1.142 353 N CA -0.177 52.960 53.050 0.146 0.000 0.965 353 N CB 1.281 39.829 38.487 0.102 0.000 1.077 353 N HN 0.323 nan 8.380 nan 0.000 0.462 354 I N 3.825 124.402 120.570 0.012 0.000 2.328 354 I HA 0.249 4.419 4.170 -0.000 0.000 0.287 354 I C 0.028 176.000 176.117 -0.242 0.000 1.012 354 I CA -0.168 61.025 61.300 -0.179 0.000 1.195 354 I CB 0.576 38.445 38.000 -0.218 0.000 1.350 354 I HN 0.200 nan 8.210 nan 0.000 0.464 355 M N 5.028 124.396 119.600 -0.386 0.000 2.423 355 M HA 0.535 5.015 4.480 -0.000 0.000 0.335 355 M C -0.174 175.848 176.300 -0.463 0.000 1.177 355 M CA -0.486 54.613 55.300 -0.336 0.000 1.038 355 M CB 1.493 33.956 32.600 -0.227 0.000 1.641 355 M HN 0.445 nan 8.290 nan 0.000 0.455 356 E N 0.987 121.077 120.200 -0.184 0.000 2.277 356 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 356 E C -1.582 175.073 176.600 0.093 0.000 0.901 356 E CA -1.044 55.311 56.400 -0.074 0.000 0.782 356 E CB 3.136 32.832 29.700 -0.007 0.000 1.228 356 E HN 0.388 nan 8.360 nan 0.000 0.424 357 L N 2.717 124.036 121.223 0.161 0.000 2.275 357 L HA 0.337 4.677 4.340 -0.000 0.000 0.288 357 L C -0.890 175.998 176.870 0.030 0.000 1.046 357 L CA -0.042 54.880 54.840 0.136 0.000 0.805 357 L CB 0.349 42.493 42.059 0.142 0.000 1.193 357 L HN 0.304 nan 8.230 nan 0.000 0.426 358 K N 1.751 122.150 120.400 -0.002 0.000 2.313 358 K HA 0.487 4.806 4.320 -0.000 0.000 0.235 358 K C 1.050 177.601 176.600 -0.081 0.000 1.035 358 K CA 0.015 56.289 56.287 -0.022 0.000 0.868 358 K CB 1.271 33.775 32.500 0.007 0.000 1.232 358 K HN 0.665 nan 8.250 nan 0.000 0.459 359 T N -2.025 112.499 114.554 -0.051 0.000 2.962 359 T HA -0.156 4.194 4.350 -0.000 0.000 0.270 359 T C 1.027 175.734 174.700 0.012 0.000 1.088 359 T CA 1.508 63.578 62.100 -0.051 0.000 1.127 359 T CB -0.325 68.612 68.868 0.115 0.000 0.883 359 T HN 0.601 nan 8.240 nan 0.000 0.493 360 N N 1.328 120.041 118.700 0.020 0.000 2.270 360 N HA 0.408 5.147 4.740 -0.000 0.000 0.198 360 N C 0.698 176.217 175.510 0.016 0.000 1.117 360 N CA 0.190 53.266 53.050 0.042 0.000 0.845 360 N CB 0.248 38.763 38.487 0.045 0.000 0.980 360 N HN 0.695 nan 8.380 nan 0.000 0.486 361 G N -0.529 108.257 108.800 -0.023 0.000 2.440 361 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.684 361 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.684 361 G C -3.324 171.583 174.900 0.013 0.000 1.309 361 G CA -1.104 43.984 45.100 -0.020 0.000 0.931 361 G HN 0.067 nan 8.290 nan 0.000 0.612 362 P HA 0.388 nan 4.420 nan 0.000 0.271 362 P C 0.134 177.492 177.300 0.098 0.000 1.226 362 P CA -0.024 63.154 63.100 0.130 0.000 0.765 362 P CB 0.449 32.270 31.700 0.203 0.000 0.835 363 R N 1.895 122.443 120.500 0.080 0.000 2.782 363 R HA 0.667 5.007 4.340 -0.000 0.000 0.258 363 R C -0.373 175.950 176.300 0.039 0.000 1.055 363 R CA -1.183 54.950 56.100 0.055 0.000 1.065 363 R CB 1.250 31.573 30.300 0.039 0.000 1.172 363 R HN 0.149 nan 8.270 nan 0.000 0.510 364 K N 0.733 121.155 120.400 0.036 0.000 2.130 364 K HA 0.313 4.632 4.320 -0.000 0.000 0.268 364 K C -0.063 176.539 176.600 0.004 0.000 0.983 364 K CA -0.605 55.694 56.287 0.020 0.000 0.893 364 K CB 1.071 33.599 32.500 0.047 0.000 1.066 364 K HN 0.728 nan 8.250 nan 0.000 0.450 365 I N 1.842 122.394 120.570 -0.030 0.000 4.288 365 I HA 0.263 4.433 4.170 -0.000 0.000 0.331 365 I C 0.845 176.943 176.117 -0.032 0.000 1.322 365 I CA 0.163 61.436 61.300 -0.045 0.000 1.149 365 I CB 0.946 38.876 38.000 -0.116 0.000 1.112 365 I HN 0.953 nan 8.210 nan 0.000 0.403 366 G N 1.177 109.983 108.800 0.009 0.000 2.439 366 G HA2 0.104 4.064 3.960 -0.000 0.000 0.186 366 G HA3 0.104 4.064 3.960 -0.000 0.000 0.186 366 G C -1.756 173.271 174.900 0.212 0.000 1.260 366 G CA -0.151 45.011 45.100 0.102 0.000 1.020 366 G HN 0.143 nan 8.290 nan 0.000 0.470 367 Y N -2.913 117.379 120.300 -0.013 0.000 2.656 367 Y HA 0.732 5.282 4.550 -0.000 0.000 0.334 367 Y C -1.272 174.686 175.900 0.096 0.000 1.179 367 Y CA -1.797 56.331 58.100 0.047 0.000 1.050 367 Y CB 1.079 39.557 38.460 0.031 0.000 1.308 367 Y HN 0.905 nan 8.280 nan 0.000 0.456 368 W N 1.703 123.013 121.300 0.018 0.000 2.578 368 W HA 0.776 5.436 4.660 -0.000 0.000 0.353 368 W C -0.837 175.683 176.519 0.001 0.000 1.088 368 W CA -0.532 56.774 57.345 -0.064 0.000 1.235 368 W CB 2.093 31.559 29.460 0.011 0.000 1.362 368 W HN 0.734 nan 8.180 nan 0.000 0.592 369 S N 1.828 116.919 115.700 -1.015 0.000 2.537 369 S HA 0.188 4.658 4.470 -0.000 0.000 0.270 369 S C 0.221 173.938 174.600 -1.471 0.000 1.142 369 S CA -0.526 57.159 58.200 -0.858 0.000 0.870 369 S CB 1.341 64.304 63.200 -0.396 0.000 1.112 369 S HN 0.546 nan 8.310 nan 0.000 0.466 370 E N 1.386 121.055 120.200 -0.886 0.000 2.085 370 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 370 E C 1.871 178.209 176.600 -0.437 0.000 0.994 370 E CA 2.054 58.120 56.400 -0.556 0.000 0.801 370 E CB -0.319 29.237 29.700 -0.240 0.000 0.743 370 E HN 0.554 nan 8.360 nan 0.000 0.453 371 V N -1.241 118.451 119.914 -0.370 0.000 2.341 371 V HA -0.020 4.100 4.120 -0.000 0.000 0.240 371 V C 1.477 177.404 176.094 -0.278 0.000 1.035 371 V CA 1.501 63.652 62.300 -0.250 0.000 1.033 371 V CB -0.474 31.249 31.823 -0.167 0.000 0.678 371 V HN -0.046 nan 8.190 nan 0.000 0.464 372 D N -0.470 119.740 120.400 -0.316 0.000 2.289 372 D HA 0.096 4.736 4.640 -0.000 0.000 0.207 372 D C 1.373 177.419 176.300 -0.423 0.000 0.966 372 D CA 0.778 54.602 54.000 -0.294 0.000 0.868 372 D CB 0.152 40.822 40.800 -0.216 0.000 0.943 372 D HN 0.613 nan 8.370 nan 0.000 0.514 373 K N -1.073 118.901 120.400 -0.710 0.000 2.844 373 K HA -0.291 4.029 4.320 -0.000 0.000 0.177 373 K C 0.337 176.549 176.600 -0.646 0.000 0.804 373 K CA 1.462 57.191 56.287 -0.929 0.000 0.458 373 K CB -1.002 31.262 32.500 -0.393 0.000 0.759 373 K HN 0.063 nan 8.250 nan 0.000 0.761 374 M N 2.009 121.433 119.600 -0.294 0.000 2.152 374 M HA 0.301 4.781 4.480 -0.000 0.000 0.354 374 M C -1.674 174.480 176.300 -0.244 0.000 1.173 374 M CA -0.159 55.035 55.300 -0.176 0.000 1.110 374 M CB 1.310 33.922 32.600 0.019 0.000 1.366 374 M HN 0.244 nan 8.290 nan 0.000 0.415 375 V N 5.937 125.575 119.914 -0.460 0.000 2.407 375 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 375 V C -0.333 175.607 176.094 -0.257 0.000 1.018 375 V CA -1.089 60.976 62.300 -0.391 0.000 0.842 375 V CB 1.563 33.058 31.823 -0.546 0.000 0.996 375 V HN 0.619 nan 8.190 nan 0.000 0.426 376 V N 2.521 122.392 119.914 -0.071 0.000 2.715 376 V HA 0.381 4.501 4.120 -0.000 0.000 0.299 376 V C 0.501 176.627 176.094 0.053 0.000 1.054 376 V CA 0.240 62.541 62.300 0.002 0.000 1.077 376 V CB 1.023 32.883 31.823 0.062 0.000 0.972 376 V HN 0.830 nan 8.190 nan 0.000 0.484 377 T N 7.415 122.014 114.554 0.075 0.000 3.477 377 T HA 0.438 4.788 4.350 -0.000 0.000 0.347 377 T C 0.247 174.982 174.700 0.059 0.000 1.567 377 T CA -0.077 62.079 62.100 0.092 0.000 1.169 377 T CB -0.621 68.312 68.868 0.107 0.000 1.196 377 T HN 0.590 nan 8.240 nan 0.000 0.768 378 L N 0.000 121.254 121.223 0.051 0.000 2.949 378 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 378 L CA 0.000 54.864 54.840 0.040 0.000 0.813 378 L CB 0.000 42.080 42.059 0.034 0.000 0.961 378 L HN 0.000 nan 8.230 nan 0.000 0.502