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 2d69_1_D DATA FIRST_RESID 1 DATA SEQUENCE MMVLRMKVEW YLDFVDLNYE PGRDELIVEY YFEPNGVSPE EAAGRIASES DATA SEQUENCE SIGTWTTLWK LPEMAKRSMA KVFYLEKHGE GYIAKIAYPL TLFEEGSLVQ DATA SEQUENCE LFSAVAGNVF GMKALKNLRL LDFHPPYEYL RHFKGPQFGV QGIREFMGVK DATA SEQUENCE DRPLTATVPK PKMGWSVEEY AEIAYELWSG GIDLLKDDEN FTSFPFNRFE DATA SEQUENCE ERVRKLYRVR DRVEAETGET KEYLINITGP VNIMEKRAEM VANEGGQYVM DATA SEQUENCE IDIVVAGWSA LQYMREVTED LGLAIHAHRA MHAAFTRNPR HGITMLALAK DATA SEQUENCE AARMIGVDQI HTGTAVGKMA GNYEEIKRIN DFLLSKWEHI RPVFPVASGG DATA SEQUENCE LHPGLMPELI RLFGKDLVIQ AGGGVMGHPD GPRAGAKALR DAIDAAIEGV DATA SEQUENCE DLDEKAKSSP ELKKSLREV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 M N 1.845 121.449 119.600 0.006 0.000 2.131 2 M HA 0.541 5.020 4.480 -0.001 0.000 0.345 2 M C -1.334 174.969 176.300 0.006 0.000 1.060 2 M CA -0.266 55.038 55.300 0.007 0.000 1.011 2 M CB 0.714 33.320 32.600 0.010 0.000 1.328 2 M HN 0.357 nan 8.290 nan 0.000 0.396 3 V N 5.397 125.312 119.914 0.002 0.000 2.530 3 V HA 0.268 4.387 4.120 -0.001 0.000 0.282 3 V C 0.213 176.304 176.094 -0.005 0.000 1.048 3 V CA -0.475 61.823 62.300 -0.003 0.000 0.997 3 V CB 0.637 32.457 31.823 -0.006 0.000 0.987 3 V HN 0.634 nan 8.190 nan 0.000 0.477 4 L N 6.967 128.183 121.223 -0.011 0.000 2.312 4 L HA 0.650 4.989 4.340 -0.001 0.000 0.281 4 L C 0.256 177.099 176.870 -0.045 0.000 1.070 4 L CA -0.369 54.461 54.840 -0.016 0.000 0.805 4 L CB 0.703 42.758 42.059 -0.007 0.000 1.174 4 L HN 0.617 nan 8.230 nan 0.000 0.434 5 R N 3.308 123.779 120.500 -0.048 0.000 2.774 5 R HA 0.586 4.925 4.340 -0.001 0.000 0.272 5 R C -1.036 175.203 176.300 -0.102 0.000 1.000 5 R CA -0.985 55.064 56.100 -0.085 0.000 0.906 5 R CB 2.265 32.541 30.300 -0.041 0.000 1.227 5 R HN 0.532 nan 8.270 nan 0.000 0.468 6 M N 1.118 120.591 119.600 -0.211 0.000 2.245 6 M HA 0.321 4.800 4.480 -0.001 0.000 0.292 6 M C 0.362 176.677 176.300 0.024 0.000 1.176 6 M CA -0.266 54.935 55.300 -0.165 0.000 1.035 6 M CB 0.547 32.804 32.600 -0.571 0.000 1.440 6 M HN 0.193 nan 8.290 nan 0.000 0.494 7 K N 0.193 120.673 120.400 0.134 0.000 2.518 7 K HA -0.018 4.302 4.320 -0.001 0.000 0.276 7 K C 0.928 177.620 176.600 0.154 0.000 0.974 7 K CA -0.368 55.996 56.287 0.128 0.000 0.986 7 K CB 0.389 32.964 32.500 0.125 0.000 0.901 7 K HN 0.426 nan 8.250 nan 0.000 0.497 8 V N 1.968 121.930 119.914 0.080 0.000 2.469 8 V HA -0.225 3.894 4.120 -0.001 0.000 0.251 8 V C 0.834 176.893 176.094 -0.057 0.000 1.064 8 V CA 1.719 64.065 62.300 0.077 0.000 1.066 8 V CB -0.565 31.284 31.823 0.044 0.000 0.667 8 V HN 0.735 nan 8.190 nan 0.000 0.461 9 E N 0.390 120.444 120.200 -0.243 0.000 2.598 9 E HA 0.031 4.380 4.350 -0.001 0.000 0.233 9 E C 1.247 177.420 176.600 -0.712 0.000 1.173 9 E CA -0.283 55.652 56.400 -0.775 0.000 1.473 9 E CB -0.109 29.309 29.700 -0.470 0.000 1.398 9 E HN 0.834 nan 8.360 nan 0.000 0.431 10 W N 0.484 121.540 121.300 -0.406 0.000 2.342 10 W HA -0.300 4.360 4.660 -0.001 0.000 0.297 10 W C 1.245 177.793 176.519 0.048 0.000 1.213 10 W CA 0.866 58.163 57.345 -0.080 0.000 1.251 10 W CB -1.144 28.260 29.460 -0.093 0.000 1.136 10 W HN 0.306 nan 8.180 nan 0.000 0.526 11 Y N 0.432 120.221 120.300 -0.852 0.000 2.403 11 Y HA 0.017 4.566 4.550 -0.001 0.000 0.291 11 Y C 2.351 178.186 175.900 -0.108 0.000 1.143 11 Y CA 0.975 58.633 58.100 -0.738 0.000 1.257 11 Y CB -1.560 36.162 38.460 -1.231 0.000 0.984 11 Y HN -0.102 nan 8.280 nan 0.000 0.550 12 L N 0.342 121.439 121.223 -0.210 0.000 2.465 12 L HA -0.085 4.254 4.340 -0.001 0.000 0.224 12 L C 1.349 178.230 176.870 0.019 0.000 1.145 12 L CA 0.788 55.610 54.840 -0.030 0.000 0.834 12 L CB -0.505 41.486 42.059 -0.113 0.000 0.944 12 L HN 0.146 nan 8.230 nan 0.000 0.451 13 D N 0.556 120.981 120.400 0.041 0.000 2.265 13 D HA -0.168 4.471 4.640 -0.001 0.000 0.208 13 D C 1.622 177.809 176.300 -0.188 0.000 0.977 13 D CA 1.483 55.438 54.000 -0.076 0.000 0.871 13 D CB -0.071 40.667 40.800 -0.103 0.000 0.925 13 D HN 0.317 nan 8.370 nan 0.000 0.485 14 F N -0.288 119.674 119.950 0.020 0.000 2.765 14 F HA 0.137 4.664 4.527 -0.001 0.000 0.302 14 F C 0.493 176.269 175.800 -0.040 0.000 1.111 14 F CA -0.116 57.877 58.000 -0.012 0.000 1.359 14 F CB 0.617 39.631 39.000 0.022 0.000 1.097 14 F HN -0.318 nan 8.300 nan 0.000 0.577 15 V N 0.496 120.475 119.914 0.107 0.000 2.487 15 V HA 0.390 4.509 4.120 -0.001 0.000 0.298 15 V C -1.126 174.995 176.094 0.044 0.000 1.028 15 V CA -0.635 61.709 62.300 0.073 0.000 0.860 15 V CB 1.873 33.735 31.823 0.065 0.000 0.991 15 V HN -0.044 nan 8.190 nan 0.000 0.427 16 D N 4.018 124.462 120.400 0.073 0.000 2.365 16 D HA 0.282 4.921 4.640 -0.001 0.000 0.235 16 D C 0.282 176.692 176.300 0.184 0.000 1.368 16 D CA -0.401 53.657 54.000 0.096 0.000 1.001 16 D CB 1.534 42.373 40.800 0.066 0.000 1.364 16 D HN 0.368 nan 8.370 nan 0.000 0.577 17 L N 2.582 123.892 121.223 0.144 0.000 2.610 17 L HA 0.175 4.514 4.340 -0.001 0.000 0.232 17 L C 1.003 177.983 176.870 0.183 0.000 1.149 17 L CA 0.423 55.360 54.840 0.163 0.000 0.872 17 L CB -0.227 41.880 42.059 0.080 0.000 0.992 17 L HN 0.242 nan 8.230 nan 0.000 0.447 18 N N -1.611 117.197 118.700 0.180 0.000 2.205 18 N HA -0.005 4.734 4.740 -0.001 0.000 0.201 18 N C 0.166 175.786 175.510 0.183 0.000 1.128 18 N CA -0.313 52.829 53.050 0.154 0.000 0.867 18 N CB 0.400 38.949 38.487 0.103 0.000 0.996 18 N HN 0.186 nan 8.380 nan 0.000 0.503 19 Y N 2.583 122.947 120.300 0.106 0.000 2.526 19 Y HA 0.017 4.566 4.550 -0.001 0.000 0.330 19 Y C -0.156 175.761 175.900 0.027 0.000 1.156 19 Y CA 0.098 58.240 58.100 0.069 0.000 1.419 19 Y CB 0.442 38.956 38.460 0.089 0.000 1.250 19 Y HN 0.012 nan 8.280 nan 0.000 0.540 20 E N 8.450 128.278 120.200 -0.620 0.000 2.114 20 E HA 0.254 4.603 4.350 -0.001 0.000 0.266 20 E C -2.489 173.554 176.600 -0.928 0.000 0.896 20 E CA -2.227 53.828 56.400 -0.575 0.000 0.750 20 E CB 1.009 30.526 29.700 -0.306 0.000 1.121 20 E HN 0.496 nan 8.360 nan 0.000 0.413 21 P HA 0.066 nan 4.420 nan 0.000 0.271 21 P C 0.117 177.230 177.300 -0.311 0.000 1.220 21 P CA -0.198 62.571 63.100 -0.551 0.000 0.768 21 P CB 0.807 32.196 31.700 -0.519 0.000 0.848 22 G N 2.352 111.046 108.800 -0.177 0.000 2.606 22 G HA2 0.114 4.073 3.960 -0.001 0.000 0.252 22 G HA3 0.114 4.073 3.960 -0.001 0.000 0.252 22 G C 0.891 175.781 174.900 -0.017 0.000 1.206 22 G CA -0.728 44.325 45.100 -0.079 0.000 0.861 22 G HN 0.590 nan 8.290 nan 0.000 0.561 23 R N -0.708 119.796 120.500 0.006 0.000 2.341 23 R HA -0.028 4.312 4.340 -0.001 0.000 0.213 23 R C 0.318 176.679 176.300 0.103 0.000 1.082 23 R CA 1.481 57.610 56.100 0.048 0.000 1.017 23 R CB 0.015 30.339 30.300 0.040 0.000 0.860 23 R HN 0.460 nan 8.270 nan 0.000 0.473 24 D N 0.147 120.612 120.400 0.109 0.000 2.501 24 D HA 0.080 4.719 4.640 -0.001 0.000 0.226 24 D C -0.581 175.830 176.300 0.184 0.000 1.198 24 D CA -0.344 53.748 54.000 0.154 0.000 0.830 24 D CB 0.118 41.001 40.800 0.138 0.000 1.014 24 D HN 0.315 nan 8.370 nan 0.000 0.496 25 E N 0.243 120.547 120.200 0.174 0.000 2.207 25 E HA 0.471 4.821 4.350 -0.001 0.000 0.270 25 E C -0.851 175.900 176.600 0.252 0.000 0.927 25 E CA -1.075 55.460 56.400 0.225 0.000 0.799 25 E CB 2.789 32.608 29.700 0.198 0.000 1.172 25 E HN 0.075 nan 8.360 nan 0.000 0.404 26 L N 3.307 124.727 121.223 0.328 0.000 2.312 26 L HA 0.462 4.802 4.340 -0.001 0.000 0.281 26 L C -1.133 175.984 176.870 0.412 0.000 1.070 26 L CA -0.297 54.717 54.840 0.289 0.000 0.805 26 L CB 0.513 42.666 42.059 0.156 0.000 1.174 26 L HN 0.490 nan 8.230 nan 0.000 0.434 27 I N 5.131 125.921 120.570 0.367 0.000 2.404 27 I HA 0.409 4.579 4.170 -0.001 0.000 0.293 27 I C -0.801 175.517 176.117 0.334 0.000 0.992 27 I CA -0.710 60.865 61.300 0.460 0.000 1.149 27 I CB 1.939 40.230 38.000 0.485 0.000 1.315 27 I HN 0.252 nan 8.210 nan 0.000 0.446 28 V N 5.519 125.634 119.914 0.336 0.000 2.555 28 V HA 0.392 4.511 4.120 -0.001 0.000 0.302 28 V C -0.349 175.708 176.094 -0.061 0.000 1.038 28 V CA -0.738 61.576 62.300 0.023 0.000 0.887 28 V CB 1.958 33.681 31.823 -0.166 0.000 0.991 28 V HN 0.659 nan 8.190 nan 0.000 0.434 29 E N 3.213 123.277 120.200 -0.227 0.000 2.145 29 E HA 0.521 4.870 4.350 -0.001 0.000 0.270 29 E C -1.850 174.625 176.600 -0.209 0.000 0.906 29 E CA -0.480 55.837 56.400 -0.137 0.000 0.761 29 E CB 1.903 31.556 29.700 -0.079 0.000 1.116 29 E HN 0.618 nan 8.360 nan 0.000 0.408 30 Y N 1.326 121.685 120.300 0.100 0.000 2.376 30 Y HA 0.224 4.773 4.550 -0.001 0.000 0.340 30 Y C -0.514 175.526 175.900 0.234 0.000 0.965 30 Y CA -1.037 57.152 58.100 0.149 0.000 1.078 30 Y CB 1.189 39.730 38.460 0.134 0.000 1.193 30 Y HN 0.521 nan 8.280 nan 0.000 0.452 31 Y N 5.550 126.016 120.300 0.277 0.000 2.299 31 Y HA 0.571 5.121 4.550 -0.001 0.000 0.326 31 Y C -0.983 175.122 175.900 0.342 0.000 1.164 31 Y CA -1.064 57.161 58.100 0.209 0.000 1.234 31 Y CB 0.504 39.040 38.460 0.126 0.000 1.219 31 Y HN 0.494 nan 8.280 nan 0.000 0.497 32 F N 1.630 121.217 119.950 -0.604 0.000 2.686 32 F HA 0.660 5.186 4.527 -0.001 0.000 0.311 32 F C -2.008 173.523 175.800 -0.449 0.000 1.128 32 F CA -1.263 56.498 58.000 -0.397 0.000 0.946 32 F CB 1.449 40.355 39.000 -0.155 0.000 1.336 32 F HN 0.401 nan 8.300 nan 0.000 0.457 33 E N 2.922 123.144 120.200 0.037 0.000 2.218 33 E HA 0.383 4.732 4.350 -0.001 0.000 0.263 33 E C -2.802 173.950 176.600 0.253 0.000 0.879 33 E CA -2.296 54.154 56.400 0.084 0.000 0.762 33 E CB 2.300 32.046 29.700 0.077 0.000 1.166 33 E HN 0.353 nan 8.360 nan 0.000 0.415 34 P HA -0.031 nan 4.420 nan 0.000 0.271 34 P C -0.857 176.486 177.300 0.071 0.000 1.218 34 P CA -0.200 62.988 63.100 0.147 0.000 0.780 34 P CB 0.691 32.443 31.700 0.086 0.000 0.901 35 N N 1.455 120.167 118.700 0.020 0.000 2.706 35 N HA 0.282 5.021 4.740 -0.001 0.000 0.240 35 N C 0.577 176.077 175.510 -0.017 0.000 1.039 35 N CA -0.176 52.880 53.050 0.009 0.000 0.888 35 N CB -0.166 38.326 38.487 0.007 0.000 1.128 35 N HN 0.702 nan 8.380 nan 0.000 0.512 36 G N 1.483 110.276 108.800 -0.012 0.000 2.143 36 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.248 36 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.248 36 G C -0.060 174.812 174.900 -0.046 0.000 0.991 36 G CA 0.641 45.728 45.100 -0.021 0.000 0.689 36 G HN 0.743 nan 8.290 nan 0.000 0.522 37 V N -2.629 117.245 119.914 -0.068 0.000 3.141 37 V HA 0.949 5.069 4.120 -0.001 0.000 0.312 37 V C 0.723 176.756 176.094 -0.101 0.000 1.157 37 V CA -0.235 61.997 62.300 -0.114 0.000 1.041 37 V CB 1.375 33.072 31.823 -0.210 0.000 1.071 37 V HN 1.528 nan 8.190 nan 0.000 0.441 38 S N 0.485 116.113 115.700 -0.119 0.000 2.579 38 S HA 0.320 4.790 4.470 -0.001 0.000 0.275 38 S C -1.605 172.892 174.600 -0.171 0.000 1.345 38 S CA -0.148 57.982 58.200 -0.116 0.000 1.031 38 S CB 0.650 63.800 63.200 -0.083 0.000 0.892 38 S HN 0.738 nan 8.310 nan 0.000 0.529 39 P HA -0.133 nan 4.420 nan 0.000 0.218 39 P C 1.405 178.619 177.300 -0.143 0.000 1.148 39 P CA 1.200 64.109 63.100 -0.318 0.000 0.822 39 P CB -0.027 31.069 31.700 -1.006 0.000 0.784 40 E N 0.319 120.434 120.200 -0.142 0.000 2.152 40 E HA -0.189 4.161 4.350 -0.001 0.000 0.192 40 E C 1.982 178.499 176.600 -0.138 0.000 0.983 40 E CA 0.969 57.318 56.400 -0.085 0.000 0.818 40 E CB -1.027 28.659 29.700 -0.023 0.000 0.758 40 E HN 0.400 nan 8.360 nan 0.000 0.467 41 E N 1.354 121.402 120.200 -0.253 0.000 2.077 41 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 41 E C 2.061 178.287 176.600 -0.624 0.000 0.989 41 E CA 1.168 57.161 56.400 -0.678 0.000 0.800 41 E CB -0.080 29.026 29.700 -0.990 0.000 0.746 41 E HN 0.254 nan 8.360 nan 0.000 0.452 42 A N 1.245 123.778 122.820 -0.479 0.000 1.902 42 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 42 A C 2.412 179.567 177.584 -0.715 0.000 1.181 42 A CA 1.842 53.541 52.037 -0.563 0.000 0.623 42 A CB -0.829 17.874 19.000 -0.495 0.000 0.818 42 A HN 0.424 nan 8.150 nan 0.000 0.443 43 A N -0.507 121.933 122.820 -0.633 0.000 1.877 43 A HA 0.110 4.430 4.320 -0.001 0.000 0.216 43 A C 2.420 179.799 177.584 -0.343 0.000 1.186 43 A CA 1.966 53.697 52.037 -0.511 0.000 0.620 43 A CB -1.397 17.497 19.000 -0.176 0.000 0.822 43 A HN 0.752 nan 8.150 nan 0.000 0.443 44 G N -0.876 107.767 108.800 -0.262 0.000 2.408 44 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.217 44 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.217 44 G C 1.766 176.434 174.900 -0.388 0.000 1.150 44 G CA 0.856 45.844 45.100 -0.187 0.000 0.776 44 G HN 0.554 nan 8.290 nan 0.000 0.542 45 R N -0.296 119.936 120.500 -0.445 0.000 2.092 45 R HA 0.117 4.457 4.340 -0.001 0.000 0.231 45 R C 2.541 178.623 176.300 -0.363 0.000 1.119 45 R CA 0.815 56.680 56.100 -0.391 0.000 0.970 45 R CB -0.297 29.780 30.300 -0.371 0.000 0.864 45 R HN 0.378 nan 8.270 nan 0.000 0.440 46 I N 0.454 120.766 120.570 -0.430 0.000 2.179 46 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 46 I C 2.584 178.519 176.117 -0.303 0.000 1.088 46 I CA 1.300 62.339 61.300 -0.436 0.000 1.357 46 I CB -0.426 37.205 38.000 -0.615 0.000 1.051 46 I HN 0.195 nan 8.210 nan 0.000 0.409 47 A N -0.117 122.536 122.820 -0.278 0.000 1.908 47 A HA -0.277 4.042 4.320 -0.001 0.000 0.218 47 A C 2.497 179.897 177.584 -0.307 0.000 1.181 47 A CA 2.395 54.320 52.037 -0.187 0.000 0.627 47 A CB -0.927 18.022 19.000 -0.086 0.000 0.818 47 A HN 0.427 nan 8.150 nan 0.000 0.445 48 S N -0.673 114.584 115.700 -0.739 0.000 2.353 48 S HA -0.234 4.235 4.470 -0.001 0.000 0.222 48 S C 2.071 176.557 174.600 -0.191 0.000 1.035 48 S CA 1.963 59.713 58.200 -0.751 0.000 1.025 48 S CB -0.363 62.479 63.200 -0.597 0.000 0.902 48 S HN 0.595 nan 8.310 nan 0.000 0.440 49 E N 1.207 121.314 120.200 -0.155 0.000 2.110 49 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 49 E C 1.988 178.576 176.600 -0.019 0.000 0.988 49 E CA 1.687 58.041 56.400 -0.077 0.000 0.804 49 E CB -0.363 29.263 29.700 -0.124 0.000 0.745 49 E HN 0.657 nan 8.360 nan 0.000 0.458 50 S N -1.294 114.415 115.700 0.015 0.000 2.593 50 S HA 0.117 4.586 4.470 -0.001 0.000 0.217 50 S C 1.240 175.983 174.600 0.239 0.000 0.966 50 S CA 0.348 58.626 58.200 0.129 0.000 0.914 50 S CB 0.035 63.364 63.200 0.215 0.000 0.776 50 S HN 0.281 nan 8.310 nan 0.000 0.523 51 S N 2.276 118.086 115.700 0.184 0.000 3.697 51 S HA 0.353 4.822 4.470 -0.001 0.000 0.184 51 S C 1.353 176.049 174.600 0.160 0.000 1.045 51 S CA -0.023 58.297 58.200 0.200 0.000 1.330 51 S CB -0.857 62.500 63.200 0.262 0.000 1.393 51 S HN 0.518 nan 8.310 nan 0.000 0.855 52 I N -0.253 120.459 120.570 0.238 0.000 3.728 52 I HA 0.554 4.723 4.170 -0.001 0.000 0.307 52 I C 1.336 177.590 176.117 0.229 0.000 1.276 52 I CA 0.326 61.758 61.300 0.220 0.000 1.285 52 I CB -0.672 37.470 38.000 0.237 0.000 1.038 52 I HN 0.894 nan 8.210 nan 0.000 0.445 53 G N 2.070 110.994 108.800 0.207 0.000 2.509 53 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.259 53 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.259 53 G C 0.118 175.151 174.900 0.223 0.000 1.169 53 G CA 0.457 45.640 45.100 0.137 0.000 0.953 53 G HN 0.769 nan 8.290 nan 0.000 0.563 54 T N -2.785 111.795 114.554 0.043 0.000 2.905 54 T HA 0.654 5.003 4.350 -0.001 0.000 0.283 54 T C -0.051 174.671 174.700 0.037 0.000 1.031 54 T CA 0.465 62.436 62.100 -0.214 0.000 1.002 54 T CB 2.160 70.624 68.868 -0.675 0.000 1.200 54 T HN 2.167 nan 8.240 nan 0.000 0.560 55 W N -0.864 120.344 121.300 -0.152 0.000 1.169 55 W HA 0.408 5.067 4.660 -0.001 0.000 0.249 55 W C -0.163 176.310 176.519 -0.077 0.000 0.845 55 W CA -0.599 56.703 57.345 -0.071 0.000 1.812 55 W CB -0.690 28.755 29.460 -0.026 0.000 0.997 55 W HN 0.741 nan 8.180 nan 0.000 0.436 56 T N 2.273 116.663 114.554 -0.273 0.000 2.987 56 T HA 0.473 4.822 4.350 -0.001 0.000 0.288 56 T C -0.278 174.399 174.700 -0.038 0.000 0.981 56 T CA 1.046 63.028 62.100 -0.197 0.000 1.031 56 T CB 0.185 68.870 68.868 -0.305 0.000 0.976 56 T HN 0.291 nan 8.240 nan 0.000 0.612 57 T N 3.665 118.257 114.554 0.063 0.000 2.802 57 T HA 0.348 4.697 4.350 -0.001 0.000 0.311 57 T C 0.437 175.213 174.700 0.128 0.000 1.405 57 T CA -0.781 61.378 62.100 0.098 0.000 1.016 57 T CB 1.277 70.231 68.868 0.143 0.000 1.352 57 T HN 0.452 nan 8.240 nan 0.000 0.498 58 L N 1.597 122.902 121.223 0.137 0.000 2.375 58 L HA 0.360 4.700 4.340 -0.001 0.000 0.215 58 L C 0.878 177.840 176.870 0.153 0.000 1.108 58 L CA -0.172 54.741 54.840 0.121 0.000 0.830 58 L CB -0.044 42.080 42.059 0.108 0.000 0.959 58 L HN 0.621 nan 8.230 nan 0.000 0.457 59 W N 2.986 124.297 121.300 0.018 0.000 2.193 59 W HA -0.050 4.610 4.660 -0.001 0.000 0.338 59 W C 0.456 176.986 176.519 0.018 0.000 1.310 59 W CA -0.056 57.298 57.345 0.015 0.000 1.243 59 W CB 0.462 29.931 29.460 0.014 0.000 1.165 59 W HN -0.062 nan 8.180 nan 0.000 0.566 60 K N 5.082 125.095 120.400 -0.645 0.000 2.511 60 K HA -0.014 4.305 4.320 -0.001 0.000 0.280 60 K C -0.028 176.503 176.600 -0.115 0.000 1.008 60 K CA -0.075 55.990 56.287 -0.371 0.000 1.050 60 K CB 0.251 32.461 32.500 -0.483 0.000 0.889 60 K HN 0.416 nan 8.250 nan 0.000 0.484 61 L N 6.598 127.799 121.223 -0.037 0.000 2.397 61 L HA 0.246 4.586 4.340 -0.001 0.000 0.271 61 L C -1.704 175.170 176.870 0.007 0.000 1.148 61 L CA -2.175 52.679 54.840 0.024 0.000 0.825 61 L CB 0.298 42.344 42.059 -0.021 0.000 1.117 61 L HN 0.585 nan 8.230 nan 0.000 0.456 62 P HA 0.051 nan 4.420 nan 0.000 0.268 62 P C 0.139 177.436 177.300 -0.005 0.000 1.205 62 P CA -0.123 62.997 63.100 0.033 0.000 0.771 62 P CB 0.784 32.516 31.700 0.054 0.000 0.858 63 E N 1.217 121.411 120.200 -0.011 0.000 2.110 63 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 63 E C 1.442 178.025 176.600 -0.029 0.000 0.988 63 E CA 1.189 57.573 56.400 -0.027 0.000 0.804 63 E CB -0.143 29.544 29.700 -0.022 0.000 0.745 63 E HN 0.401 nan 8.360 nan 0.000 0.458 64 M N -0.300 119.291 119.600 -0.015 0.000 2.595 64 M HA 0.098 4.577 4.480 -0.001 0.000 0.248 64 M C 2.081 178.367 176.300 -0.023 0.000 1.119 64 M CA 0.307 55.598 55.300 -0.016 0.000 1.079 64 M CB -0.541 32.058 32.600 -0.001 0.000 1.472 64 M HN 0.054 nan 8.290 nan 0.000 0.501 65 A N 1.151 123.955 122.820 -0.027 0.000 1.873 65 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 65 A C 2.356 179.892 177.584 -0.079 0.000 1.193 65 A CA 1.957 53.974 52.037 -0.034 0.000 0.629 65 A CB -0.626 18.351 19.000 -0.039 0.000 0.826 65 A HN 0.373 nan 8.150 nan 0.000 0.447 66 K N 0.112 120.440 120.400 -0.120 0.000 2.103 66 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 66 K C 1.722 178.252 176.600 -0.116 0.000 1.048 66 K CA 1.561 57.752 56.287 -0.160 0.000 0.930 66 K CB -0.249 32.154 32.500 -0.161 0.000 0.716 66 K HN 0.496 nan 8.250 nan 0.000 0.444 67 R N 0.043 120.501 120.500 -0.071 0.000 2.319 67 R HA 0.090 4.429 4.340 -0.001 0.000 0.204 67 R C 0.940 177.225 176.300 -0.026 0.000 0.954 67 R CA 0.233 56.308 56.100 -0.042 0.000 1.066 67 R CB 0.288 30.575 30.300 -0.022 0.000 0.991 67 R HN 0.059 nan 8.270 nan 0.000 0.486 68 S N -0.167 115.514 115.700 -0.031 0.000 2.666 68 S HA 0.232 4.701 4.470 -0.001 0.000 0.239 68 S C 0.283 174.895 174.600 0.020 0.000 1.031 68 S CA -0.339 57.854 58.200 -0.012 0.000 1.015 68 S CB 0.499 63.693 63.200 -0.010 0.000 0.981 68 S HN 0.155 nan 8.310 nan 0.000 0.547 69 M N 2.561 122.154 119.600 -0.011 0.000 2.246 69 M HA 0.297 4.777 4.480 -0.001 0.000 0.350 69 M C 0.515 176.830 176.300 0.024 0.000 1.406 69 M CA -0.148 55.166 55.300 0.024 0.000 1.089 69 M CB 0.408 32.875 32.600 -0.223 0.000 1.782 69 M HN 0.221 nan 8.290 nan 0.000 0.457 70 A N 3.985 126.878 122.820 0.121 0.000 2.346 70 A HA 0.479 4.799 4.320 -0.001 0.000 0.252 70 A C -0.229 177.353 177.584 -0.004 0.000 1.089 70 A CA -0.262 51.720 52.037 -0.092 0.000 0.797 70 A CB 0.470 19.262 19.000 -0.346 0.000 1.047 70 A HN 0.784 nan 8.150 nan 0.000 0.494 71 K N 0.849 121.190 120.400 -0.099 0.000 2.578 71 K HA 0.483 4.802 4.320 -0.001 0.000 0.250 71 K C -1.540 175.125 176.600 0.109 0.000 0.955 71 K CA -0.417 55.842 56.287 -0.047 0.000 0.825 71 K CB 1.673 33.981 32.500 -0.321 0.000 1.151 71 K HN 0.442 nan 8.250 nan 0.000 0.432 72 V N 6.587 126.568 119.914 0.112 0.000 2.479 72 V HA 0.124 4.243 4.120 -0.001 0.000 0.281 72 V C 0.471 176.699 176.094 0.223 0.000 1.031 72 V CA 0.213 62.589 62.300 0.126 0.000 1.038 72 V CB -0.083 31.782 31.823 0.070 0.000 0.981 72 V HN 0.812 nan 8.190 nan 0.000 0.478 73 F N 3.658 123.731 119.950 0.205 0.000 2.767 73 F HA 0.500 5.027 4.527 -0.001 0.000 0.323 73 F C -0.044 175.920 175.800 0.274 0.000 1.091 73 F CA -0.719 57.430 58.000 0.248 0.000 1.192 73 F CB -0.003 39.196 39.000 0.332 0.000 1.056 73 F HN 0.356 nan 8.300 nan 0.000 0.571 74 Y N 1.517 121.592 120.300 -0.373 0.000 2.492 74 Y HA 0.678 5.228 4.550 -0.001 0.000 0.346 74 Y C -2.191 173.647 175.900 -0.104 0.000 0.997 74 Y CA -1.779 56.195 58.100 -0.209 0.000 1.025 74 Y CB 2.007 40.246 38.460 -0.369 0.000 1.263 74 Y HN 0.039 nan 8.280 nan 0.000 0.454 75 L N 5.922 126.981 121.223 -0.274 0.000 2.639 75 L HA 0.557 4.897 4.340 -0.001 0.000 0.264 75 L C -1.999 174.742 176.870 -0.215 0.000 0.948 75 L CA -0.111 54.675 54.840 -0.088 0.000 0.912 75 L CB 1.658 43.724 42.059 0.010 0.000 1.294 75 L HN 0.708 nan 8.230 nan 0.000 0.412 76 E N 2.756 122.914 120.200 -0.069 0.000 2.366 76 E HA 0.313 4.663 4.350 -0.001 0.000 0.278 76 E C -1.325 175.355 176.600 0.133 0.000 0.923 76 E CA -1.090 55.299 56.400 -0.019 0.000 0.761 76 E CB 2.392 32.009 29.700 -0.138 0.000 1.231 76 E HN 0.459 nan 8.360 nan 0.000 0.443 77 K N 1.179 121.608 120.400 0.048 0.000 2.550 77 K HA -0.060 4.260 4.320 -0.001 0.000 0.280 77 K C -0.860 175.702 176.600 -0.063 0.000 0.987 77 K CA 0.763 56.915 56.287 -0.225 0.000 1.048 77 K CB 0.071 32.480 32.500 -0.150 0.000 0.879 77 K HN 0.542 nan 8.250 nan 0.000 0.491 78 H N 2.893 121.818 119.070 -0.242 0.000 3.224 78 H HA 0.355 4.911 4.556 -0.001 0.000 0.331 78 H C 0.304 175.629 175.328 -0.006 0.000 1.002 78 H CA 0.554 56.575 56.048 -0.044 0.000 1.473 78 H CB 0.754 30.573 29.762 0.095 0.000 1.830 78 H HN 0.814 nan 8.280 nan 0.000 0.485 79 G N 3.797 112.394 108.800 -0.338 0.000 2.622 79 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.307 79 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.307 79 G C 0.797 175.639 174.900 -0.096 0.000 1.226 79 G CA 0.546 45.521 45.100 -0.208 0.000 0.997 79 G HN 0.649 nan 8.290 nan 0.000 0.551 80 E N 2.176 122.383 120.200 0.012 0.000 2.502 80 E HA 0.260 4.609 4.350 -0.001 0.000 0.194 80 E C 1.311 177.906 176.600 -0.009 0.000 1.062 80 E CA 0.951 57.362 56.400 0.019 0.000 0.867 80 E CB 0.336 30.078 29.700 0.071 0.000 0.888 80 E HN 0.759 nan 8.360 nan 0.000 0.510 81 G N -0.255 108.521 108.800 -0.041 0.000 3.310 81 G HA2 0.508 4.467 3.960 -0.001 0.000 0.174 81 G HA3 0.508 4.467 3.960 -0.001 0.000 0.174 81 G C -1.267 173.134 174.900 -0.832 0.000 1.097 81 G CA -0.488 44.379 45.100 -0.390 0.000 0.795 81 G HN 0.062 nan 8.290 nan 0.000 0.670 82 Y N -1.265 118.656 120.300 -0.632 0.000 2.597 82 Y HA 0.633 5.183 4.550 -0.001 0.000 0.340 82 Y C -0.463 175.195 175.900 -0.404 0.000 1.097 82 Y CA -0.738 57.040 58.100 -0.536 0.000 1.037 82 Y CB 2.365 40.266 38.460 -0.932 0.000 1.305 82 Y HN 0.273 nan 8.280 nan 0.000 0.463 83 I N 2.233 122.858 120.570 0.092 0.000 2.406 83 I HA 0.689 4.858 4.170 -0.001 0.000 0.290 83 I C -0.580 175.735 176.117 0.330 0.000 0.999 83 I CA -0.785 60.632 61.300 0.195 0.000 1.124 83 I CB 1.522 39.620 38.000 0.163 0.000 1.289 83 I HN 0.710 nan 8.210 nan 0.000 0.441 84 A N 6.977 130.023 122.820 0.377 0.000 2.324 84 A HA 0.688 5.008 4.320 -0.001 0.000 0.330 84 A C -0.641 177.058 177.584 0.191 0.000 1.165 84 A CA -0.693 51.550 52.037 0.343 0.000 0.813 84 A CB 0.855 20.081 19.000 0.376 0.000 1.197 84 A HN 0.683 nan 8.150 nan 0.000 0.484 85 K N 1.918 122.303 120.400 -0.024 0.000 2.206 85 K HA 0.662 4.981 4.320 -0.001 0.000 0.264 85 K C -1.284 175.151 176.600 -0.274 0.000 0.967 85 K CA -0.107 56.024 56.287 -0.260 0.000 0.844 85 K CB 1.836 33.909 32.500 -0.712 0.000 1.099 85 K HN 0.627 nan 8.250 nan 0.000 0.441 86 I N 1.816 122.469 120.570 0.139 0.000 2.498 86 I HA 0.394 4.564 4.170 -0.001 0.000 0.290 86 I C -0.475 175.908 176.117 0.443 0.000 1.032 86 I CA -1.045 60.411 61.300 0.259 0.000 1.073 86 I CB 2.068 40.186 38.000 0.197 0.000 1.251 86 I HN 0.612 nan 8.210 nan 0.000 0.426 87 A N 6.012 129.070 122.820 0.398 0.000 2.305 87 A HA 0.761 5.080 4.320 -0.001 0.000 0.322 87 A C -1.512 176.090 177.584 0.031 0.000 1.187 87 A CA -0.240 52.006 52.037 0.347 0.000 0.825 87 A CB 0.445 19.648 19.000 0.339 0.000 1.164 87 A HN 0.621 nan 8.150 nan 0.000 0.498 88 Y N 2.889 123.367 120.300 0.297 0.000 2.338 88 Y HA 0.430 4.979 4.550 -0.001 0.000 0.333 88 Y C -2.141 173.909 175.900 0.251 0.000 0.968 88 Y CA -2.276 55.988 58.100 0.274 0.000 1.123 88 Y CB 2.169 40.885 38.460 0.426 0.000 1.165 88 Y HN 0.522 nan 8.280 nan 0.000 0.452 89 P HA 0.094 nan 4.420 nan 0.000 0.271 89 P C 0.484 177.894 177.300 0.183 0.000 1.218 89 P CA -0.098 63.119 63.100 0.194 0.000 0.780 89 P CB 1.409 33.167 31.700 0.097 0.000 0.901 90 L N 1.580 122.956 121.223 0.256 0.000 2.456 90 L HA -0.107 4.233 4.340 -0.001 0.000 0.224 90 L C 2.193 179.166 176.870 0.172 0.000 1.148 90 L CA 1.535 56.579 54.840 0.339 0.000 0.825 90 L CB -1.257 41.023 42.059 0.367 0.000 0.937 90 L HN 0.471 nan 8.230 nan 0.000 0.450 91 T N -2.808 111.786 114.554 0.067 0.000 3.025 91 T HA -0.112 4.237 4.350 -0.001 0.000 0.270 91 T C 1.647 176.300 174.700 -0.078 0.000 1.126 91 T CA 0.729 62.839 62.100 0.016 0.000 1.105 91 T CB -0.198 68.677 68.868 0.013 0.000 0.884 91 T HN 0.308 nan 8.240 nan 0.000 0.522 92 L N -1.019 120.036 121.223 -0.279 0.000 2.446 92 L HA 0.349 4.689 4.340 -0.001 0.000 0.219 92 L C -0.100 176.429 176.870 -0.569 0.000 1.116 92 L CA 0.097 54.629 54.840 -0.514 0.000 0.844 92 L CB 0.066 41.614 42.059 -0.851 0.000 0.970 92 L HN 0.215 nan 8.230 nan 0.000 0.457 93 F N -0.678 119.368 119.950 0.161 0.000 2.492 93 F HA 0.324 4.850 4.527 -0.001 0.000 0.327 93 F C 0.466 176.369 175.800 0.172 0.000 1.079 93 F CA -1.565 56.552 58.000 0.195 0.000 0.967 93 F CB 0.958 40.149 39.000 0.318 0.000 1.169 93 F HN -0.218 nan 8.300 nan 0.000 0.472 94 E N 2.194 122.610 120.200 0.360 0.000 2.089 94 E HA 0.159 4.509 4.350 -0.001 0.000 0.284 94 E C -0.730 175.978 176.600 0.179 0.000 1.023 94 E CA -0.327 56.192 56.400 0.197 0.000 0.819 94 E CB 0.476 30.255 29.700 0.132 0.000 1.076 94 E HN 0.632 nan 8.360 nan 0.000 0.396 95 E N 2.121 122.370 120.200 0.082 0.000 2.398 95 E HA 0.173 4.523 4.350 -0.001 0.000 0.263 95 E C 0.827 177.302 176.600 -0.208 0.000 1.046 95 E CA 0.807 57.171 56.400 -0.059 0.000 0.908 95 E CB 0.838 30.503 29.700 -0.059 0.000 0.963 95 E HN 0.902 nan 8.360 nan 0.000 0.431 96 G N 2.367 110.938 108.800 -0.382 0.000 2.234 96 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.260 96 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.260 96 G C 0.483 175.183 174.900 -0.333 0.000 0.987 96 G CA 0.442 45.162 45.100 -0.632 0.000 0.625 96 G HN 0.492 nan 8.290 nan 0.000 0.532 97 S N 0.280 115.975 115.700 -0.009 0.000 2.543 97 S HA 0.558 5.027 4.470 -0.001 0.000 0.299 97 S C 1.405 176.140 174.600 0.224 0.000 1.125 97 S CA 0.157 58.423 58.200 0.111 0.000 1.098 97 S CB 0.630 63.887 63.200 0.094 0.000 1.063 97 S HN 0.733 nan 8.310 nan 0.000 0.493 98 L N 6.259 127.635 121.223 0.255 0.000 2.131 98 L HA -0.025 4.314 4.340 -0.001 0.000 0.210 98 L C 1.936 178.689 176.870 -0.195 0.000 1.092 98 L CA 1.511 56.333 54.840 -0.030 0.000 0.759 98 L CB -0.225 41.659 42.059 -0.291 0.000 0.903 98 L HN 0.579 nan 8.230 nan 0.000 0.435 99 V N -0.130 119.757 119.914 -0.045 0.000 2.250 99 V HA -0.386 3.733 4.120 -0.001 0.000 0.250 99 V C 2.593 178.735 176.094 0.080 0.000 1.060 99 V CA 2.371 64.689 62.300 0.031 0.000 1.030 99 V CB -0.805 31.086 31.823 0.113 0.000 0.643 99 V HN 0.632 nan 8.190 nan 0.000 0.445 100 Q N -0.609 119.257 119.800 0.111 0.000 2.167 100 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 100 Q C 2.204 178.313 176.000 0.182 0.000 0.970 100 Q CA 1.712 57.608 55.803 0.154 0.000 0.855 100 Q CB -0.273 28.572 28.738 0.179 0.000 0.911 100 Q HN 0.592 nan 8.270 nan 0.000 0.438 101 L N 0.353 121.649 121.223 0.122 0.000 1.989 101 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 101 L C 2.061 178.965 176.870 0.056 0.000 1.071 101 L CA 1.874 56.694 54.840 -0.033 0.000 0.749 101 L CB -1.062 40.824 42.059 -0.288 0.000 0.890 101 L HN 0.098 nan 8.230 nan 0.000 0.431 102 F N 0.207 119.999 119.950 -0.264 0.000 2.269 102 F HA -0.139 4.387 4.527 -0.001 0.000 0.301 102 F C 2.934 178.695 175.800 -0.065 0.000 1.082 102 F CA 1.030 58.895 58.000 -0.224 0.000 1.360 102 F CB -1.452 37.390 39.000 -0.262 0.000 1.041 102 F HN 0.436 nan 8.300 nan 0.000 0.512 103 S N -0.151 115.647 115.700 0.164 0.000 2.402 103 S HA -0.085 4.385 4.470 -0.001 0.000 0.229 103 S C 2.217 176.867 174.600 0.082 0.000 1.021 103 S CA 0.861 59.134 58.200 0.122 0.000 0.974 103 S CB -0.605 62.669 63.200 0.122 0.000 0.800 103 S HN 0.201 nan 8.310 nan 0.000 0.484 104 A N 1.439 124.317 122.820 0.097 0.000 1.898 104 A HA 0.225 4.545 4.320 -0.001 0.000 0.214 104 A C 2.368 179.958 177.584 0.011 0.000 1.183 104 A CA 1.390 53.482 52.037 0.092 0.000 0.622 104 A CB -0.775 18.351 19.000 0.211 0.000 0.824 104 A HN 1.200 nan 8.150 nan 0.000 0.444 105 V N -5.305 114.563 119.914 -0.078 0.000 3.660 105 V HA 0.680 4.799 4.120 -0.001 0.000 0.276 105 V C 1.142 177.119 176.094 -0.196 0.000 1.317 105 V CA 0.907 63.118 62.300 -0.147 0.000 1.097 105 V CB 0.158 31.781 31.823 -0.334 0.000 0.863 105 V HN 0.668 nan 8.190 nan 0.000 0.438 106 A N -0.339 122.348 122.820 -0.222 0.000 2.568 106 A HA 0.817 5.137 4.320 -0.001 0.000 0.287 106 A C 1.002 178.652 177.584 0.109 0.000 0.967 106 A CA 0.432 52.381 52.037 -0.146 0.000 1.004 106 A CB -0.088 18.682 19.000 -0.384 0.000 1.233 106 A HN 0.599 nan 8.150 nan 0.000 0.513 107 G N 0.269 109.083 108.800 0.023 0.000 3.198 107 G HA2 0.192 4.151 3.960 -0.001 0.000 0.203 107 G HA3 0.192 4.151 3.960 -0.001 0.000 0.203 107 G C 0.773 175.733 174.900 0.100 0.000 1.950 107 G CA 0.295 45.456 45.100 0.101 0.000 0.798 107 G HN 0.226 nan 8.290 nan 0.000 0.720 108 N N 0.091 118.814 118.700 0.038 0.000 2.430 108 N HA -0.090 4.649 4.740 -0.001 0.000 0.186 108 N C 2.025 177.522 175.510 -0.022 0.000 1.032 108 N CA 0.393 53.459 53.050 0.027 0.000 0.893 108 N CB -0.198 38.295 38.487 0.009 0.000 0.957 108 N HN 0.088 nan 8.380 nan 0.000 0.442 109 V N -0.154 119.678 119.914 -0.137 0.000 2.469 109 V HA -0.207 3.912 4.120 -0.001 0.000 0.251 109 V C 1.368 177.304 176.094 -0.262 0.000 1.064 109 V CA 1.425 63.550 62.300 -0.291 0.000 1.066 109 V CB -0.476 31.071 31.823 -0.461 0.000 0.667 109 V HN 0.263 nan 8.190 nan 0.000 0.461 110 F N 0.081 120.012 119.950 -0.032 0.000 2.502 110 F HA 0.096 4.623 4.527 -0.001 0.000 0.298 110 F C 2.085 177.951 175.800 0.109 0.000 1.111 110 F CA 0.863 58.880 58.000 0.028 0.000 1.445 110 F CB -0.225 38.771 39.000 -0.008 0.000 1.081 110 F HN 0.282 nan 8.300 nan 0.000 0.558 111 G N -0.383 108.541 108.800 0.207 0.000 3.337 111 G HA2 0.190 4.149 3.960 -0.001 0.000 0.246 111 G HA3 0.190 4.149 3.960 -0.001 0.000 0.246 111 G C 0.505 175.446 174.900 0.068 0.000 1.131 111 G CA -0.384 44.800 45.100 0.140 0.000 0.773 111 G HN 0.052 nan 8.290 nan 0.000 0.544 112 M N 0.796 120.416 119.600 0.033 0.000 2.238 112 M HA 0.135 4.614 4.480 -0.001 0.000 0.350 112 M C 1.379 177.675 176.300 -0.007 0.000 1.321 112 M CA 0.145 55.433 55.300 -0.019 0.000 1.097 112 M CB 1.194 33.743 32.600 -0.086 0.000 1.713 112 M HN -0.046 nan 8.290 nan 0.000 0.455 113 K N 2.186 122.576 120.400 -0.015 0.000 2.211 113 K HA -0.075 4.245 4.320 -0.001 0.000 0.203 113 K C 1.651 178.233 176.600 -0.030 0.000 1.050 113 K CA 1.286 57.565 56.287 -0.013 0.000 0.945 113 K CB -0.019 32.472 32.500 -0.014 0.000 0.732 113 K HN 0.836 nan 8.250 nan 0.000 0.451 114 A N 1.000 123.783 122.820 -0.063 0.000 2.209 114 A HA 0.047 4.367 4.320 -0.001 0.000 0.212 114 A C 0.797 178.330 177.584 -0.086 0.000 1.158 114 A CA 0.491 52.470 52.037 -0.097 0.000 0.742 114 A CB -0.186 18.715 19.000 -0.165 0.000 0.790 114 A HN 0.103 nan 8.150 nan 0.000 0.472 115 L N -1.720 119.476 121.223 -0.045 0.000 2.346 115 L HA 0.392 4.731 4.340 -0.001 0.000 0.274 115 L C 0.841 177.747 176.870 0.060 0.000 1.007 115 L CA -0.720 54.130 54.840 0.017 0.000 0.818 115 L CB 1.739 43.806 42.059 0.013 0.000 1.284 115 L HN -0.006 nan 8.230 nan 0.000 0.424 116 K N 0.610 121.063 120.400 0.089 0.000 2.186 116 K HA 0.144 4.463 4.320 -0.001 0.000 0.202 116 K C 0.064 176.733 176.600 0.115 0.000 1.052 116 K CA 0.747 57.083 56.287 0.080 0.000 0.965 116 K CB 0.213 32.763 32.500 0.083 0.000 0.746 116 K HN 0.531 nan 8.250 nan 0.000 0.457 117 N N -0.280 118.547 118.700 0.211 0.000 2.484 117 N HA 0.322 5.061 4.740 -0.001 0.000 0.269 117 N C -2.056 173.722 175.510 0.446 0.000 1.237 117 N CA -0.602 52.675 53.050 0.379 0.000 0.838 117 N CB 2.389 41.095 38.487 0.364 0.000 1.593 117 N HN -0.139 nan 8.380 nan 0.000 0.485 118 L N 0.840 122.433 121.223 0.616 0.000 2.614 118 L HA 0.481 4.820 4.340 -0.001 0.000 0.264 118 L C -1.373 175.742 176.870 0.408 0.000 0.940 118 L CA -0.266 54.812 54.840 0.397 0.000 0.903 118 L CB 1.604 43.774 42.059 0.186 0.000 1.306 118 L HN 0.576 nan 8.230 nan 0.000 0.410 119 R N 4.360 125.141 120.500 0.468 0.000 2.561 119 R HA 0.636 4.975 4.340 -0.001 0.000 0.297 119 R C -1.673 174.866 176.300 0.398 0.000 0.969 119 R CA -0.912 55.443 56.100 0.426 0.000 0.879 119 R CB 1.647 32.164 30.300 0.361 0.000 1.178 119 R HN 0.627 nan 8.270 nan 0.000 0.445 120 L N 5.927 127.349 121.223 0.331 0.000 2.278 120 L HA 0.210 4.549 4.340 -0.001 0.000 0.287 120 L C -0.398 176.486 176.870 0.023 0.000 1.072 120 L CA 0.073 54.958 54.840 0.076 0.000 0.819 120 L CB 0.979 43.044 42.059 0.009 0.000 1.176 120 L HN 0.760 nan 8.230 nan 0.000 0.435 121 L N 3.443 124.635 121.223 -0.053 0.000 2.253 121 L HA 0.398 4.738 4.340 -0.001 0.000 0.205 121 L C 0.319 177.123 176.870 -0.109 0.000 1.078 121 L CA 0.809 55.624 54.840 -0.042 0.000 0.805 121 L CB -0.533 41.505 42.059 -0.035 0.000 0.963 121 L HN 0.804 nan 8.230 nan 0.000 0.459 122 D N -2.471 117.824 120.400 -0.174 0.000 2.783 122 D HA 0.327 4.967 4.640 -0.001 0.000 0.253 122 D C -1.447 174.660 176.300 -0.322 0.000 1.206 122 D CA -0.467 53.357 54.000 -0.293 0.000 0.740 122 D CB 1.144 41.730 40.800 -0.356 0.000 1.313 122 D HN -0.174 nan 8.370 nan 0.000 0.427 123 F N -0.451 119.114 119.950 -0.641 0.000 2.626 123 F HA 0.769 5.295 4.527 -0.001 0.000 0.311 123 F C -1.279 174.075 175.800 -0.743 0.000 1.088 123 F CA -0.801 56.847 58.000 -0.586 0.000 0.949 123 F CB 1.780 40.556 39.000 -0.373 0.000 1.322 123 F HN 0.242 nan 8.300 nan 0.000 0.461 124 H N 1.325 120.392 119.070 -0.006 0.000 3.036 124 H HA 0.360 4.916 4.556 -0.001 0.000 0.295 124 H C -2.820 172.583 175.328 0.126 0.000 1.124 124 H CA -1.807 54.236 56.048 -0.007 0.000 1.507 124 H CB 1.343 31.120 29.762 0.025 0.000 1.591 124 H HN 0.405 nan 8.280 nan 0.000 0.510 125 P HA 0.114 nan 4.420 nan 0.000 0.281 125 P C -2.618 174.834 177.300 0.254 0.000 1.252 125 P CA -1.490 61.733 63.100 0.205 0.000 0.778 125 P CB 1.493 33.353 31.700 0.266 0.000 0.895 126 P HA 0.028 nan 4.420 nan 0.000 0.274 126 P C 0.666 178.107 177.300 0.235 0.000 1.256 126 P CA -0.325 62.921 63.100 0.244 0.000 0.795 126 P CB 0.755 32.596 31.700 0.235 0.000 1.038 127 Y N 0.678 121.051 120.300 0.122 0.000 2.193 127 Y HA -0.229 4.320 4.550 -0.001 0.000 0.285 127 Y C 2.158 178.079 175.900 0.035 0.000 1.166 127 Y CA 1.955 60.097 58.100 0.070 0.000 1.181 127 Y CB -0.203 38.283 38.460 0.043 0.000 0.976 127 Y HN 0.287 nan 8.280 nan 0.000 0.520 128 E N -1.442 118.847 120.200 0.149 0.000 2.418 128 E HA -0.179 4.171 4.350 -0.001 0.000 0.197 128 E C 1.471 178.083 176.600 0.020 0.000 1.026 128 E CA 0.689 57.129 56.400 0.067 0.000 0.862 128 E CB -0.339 29.471 29.700 0.184 0.000 0.799 128 E HN 0.661 nan 8.360 nan 0.000 0.518 129 Y N 0.044 120.351 120.300 0.010 0.000 2.301 129 Y HA -0.038 4.512 4.550 -0.001 0.000 0.295 129 Y C 2.063 177.987 175.900 0.039 0.000 1.126 129 Y CA 0.542 58.698 58.100 0.094 0.000 1.154 129 Y CB -0.042 38.495 38.460 0.129 0.000 1.075 129 Y HN 0.009 nan 8.280 nan 0.000 0.534 130 L N 1.850 123.113 121.223 0.067 0.000 2.201 130 L HA -0.118 4.221 4.340 -0.001 0.000 0.212 130 L C 2.417 179.206 176.870 -0.135 0.000 1.105 130 L CA 1.721 56.538 54.840 -0.038 0.000 0.775 130 L CB -0.688 41.241 42.059 -0.217 0.000 0.913 130 L HN 0.340 nan 8.230 nan 0.000 0.440 131 R N -1.837 118.368 120.500 -0.492 0.000 2.237 131 R HA -0.122 4.217 4.340 -0.001 0.000 0.219 131 R C 0.739 176.730 176.300 -0.516 0.000 1.080 131 R CA 1.236 56.944 56.100 -0.652 0.000 0.995 131 R CB -0.860 28.920 30.300 -0.866 0.000 0.875 131 R HN 0.464 nan 8.270 nan 0.000 0.462 132 H N -0.225 118.736 119.070 -0.181 0.000 2.538 132 H HA 0.227 4.782 4.556 -0.001 0.000 0.286 132 H C -0.784 174.206 175.328 -0.562 0.000 1.035 132 H CA -0.156 55.689 56.048 -0.338 0.000 1.169 132 H CB -0.335 29.172 29.762 -0.425 0.000 1.417 132 H HN 0.096 nan 8.280 nan 0.000 0.567 133 F N 0.004 119.913 119.950 -0.069 0.000 2.540 133 F HA 0.293 4.819 4.527 -0.001 0.000 0.317 133 F C 1.276 177.078 175.800 0.004 0.000 1.104 133 F CA -0.871 57.098 58.000 -0.052 0.000 0.913 133 F CB 2.084 41.023 39.000 -0.102 0.000 1.170 133 F HN -0.262 nan 8.300 nan 0.000 0.450 134 K N 1.811 122.288 120.400 0.128 0.000 2.243 134 K HA 0.271 4.590 4.320 -0.001 0.000 0.201 134 K C 1.107 177.745 176.600 0.063 0.000 1.051 134 K CA 0.559 56.903 56.287 0.095 0.000 0.970 134 K CB -0.093 32.427 32.500 0.033 0.000 0.755 134 K HN 0.930 nan 8.250 nan 0.000 0.465 135 G N 1.630 110.464 108.800 0.057 0.000 2.698 135 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.233 135 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.233 135 G C -2.789 172.138 174.900 0.045 0.000 1.352 135 G CA -0.915 44.196 45.100 0.018 0.000 0.879 135 G HN -0.010 nan 8.290 nan 0.000 0.567 136 P HA 0.240 nan 4.420 nan 0.000 0.271 136 P C 0.622 177.929 177.300 0.012 0.000 1.216 136 P CA -0.020 63.120 63.100 0.066 0.000 0.776 136 P CB 1.052 32.804 31.700 0.086 0.000 0.881 137 Q N 1.532 121.326 119.800 -0.009 0.000 2.079 137 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 137 Q C 0.640 176.414 176.000 -0.376 0.000 0.974 137 Q CA 1.846 57.512 55.803 -0.229 0.000 0.840 137 Q CB -0.149 28.387 28.738 -0.336 0.000 0.898 137 Q HN 0.415 nan 8.270 nan 0.000 0.430 138 F N -0.879 119.106 119.950 0.058 0.000 2.490 138 F HA 0.314 4.840 4.527 -0.001 0.000 0.280 138 F C 1.563 177.364 175.800 0.002 0.000 1.030 138 F CA 0.635 58.666 58.000 0.052 0.000 1.367 138 F CB -0.546 38.520 39.000 0.111 0.000 1.131 138 F HN 0.264 nan 8.300 nan 0.000 0.632 139 G N 1.037 109.951 108.800 0.190 0.000 2.622 139 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.272 139 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.272 139 G C 0.936 175.813 174.900 -0.038 0.000 1.308 139 G CA 0.075 45.206 45.100 0.052 0.000 0.919 139 G HN 0.169 nan 8.290 nan 0.000 0.565 140 V N -0.153 119.589 119.914 -0.287 0.000 2.255 140 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 140 V C 2.995 178.949 176.094 -0.235 0.000 1.051 140 V CA 2.955 64.873 62.300 -0.636 0.000 1.018 140 V CB -0.647 30.719 31.823 -0.762 0.000 0.641 140 V HN 0.664 nan 8.190 nan 0.000 0.445 141 Q N 0.267 119.988 119.800 -0.132 0.000 2.119 141 Q HA -0.064 4.276 4.340 -0.001 0.000 0.201 141 Q C 2.406 178.409 176.000 0.005 0.000 0.972 141 Q CA 1.774 57.548 55.803 -0.048 0.000 0.847 141 Q CB -1.150 27.568 28.738 -0.033 0.000 0.903 141 Q HN 0.671 nan 8.270 nan 0.000 0.433 142 G N 0.703 109.544 108.800 0.069 0.000 2.421 142 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.216 142 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.216 142 G C 1.584 176.464 174.900 -0.033 0.000 1.171 142 G CA 0.647 45.878 45.100 0.218 0.000 0.775 142 G HN 0.328 nan 8.290 nan 0.000 0.543 143 I N 0.008 120.445 120.570 -0.221 0.000 2.202 143 I HA -0.132 4.038 4.170 -0.001 0.000 0.242 143 I C 3.040 178.814 176.117 -0.571 0.000 1.091 143 I CA 0.863 61.682 61.300 -0.801 0.000 1.368 143 I CB -0.189 37.696 38.000 -0.190 0.000 1.058 143 I HN 0.077 nan 8.210 nan 0.000 0.410 144 R N 0.330 120.749 120.500 -0.136 0.000 2.105 144 R HA -0.228 4.111 4.340 -0.001 0.000 0.239 144 R C 2.202 178.453 176.300 -0.082 0.000 1.135 144 R CA 1.547 57.618 56.100 -0.049 0.000 0.967 144 R CB -0.323 30.001 30.300 0.040 0.000 0.861 144 R HN 0.463 nan 8.270 nan 0.000 0.442 145 E N 0.462 120.616 120.200 -0.076 0.000 2.031 145 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 145 E C 1.775 178.398 176.600 0.040 0.000 0.994 145 E CA 1.515 57.920 56.400 0.008 0.000 0.800 145 E CB -0.106 29.639 29.700 0.074 0.000 0.752 145 E HN 0.453 nan 8.360 nan 0.000 0.447 146 F N -1.065 118.897 119.950 0.018 0.000 2.456 146 F HA 0.082 4.608 4.527 -0.001 0.000 0.298 146 F C 1.862 177.648 175.800 -0.022 0.000 1.104 146 F CA 0.013 57.997 58.000 -0.026 0.000 1.435 146 F CB 0.022 38.958 39.000 -0.107 0.000 1.078 146 F HN -0.059 nan 8.300 nan 0.000 0.546 147 M N 1.299 120.892 119.600 -0.012 0.000 2.541 147 M HA 0.270 4.749 4.480 -0.001 0.000 0.252 147 M C 1.724 178.048 176.300 0.040 0.000 1.125 147 M CA 0.903 56.242 55.300 0.065 0.000 1.091 147 M CB -1.294 31.293 32.600 -0.021 0.000 1.420 147 M HN 0.480 nan 8.290 nan 0.000 0.486 148 G N 1.424 110.238 108.800 0.024 0.000 2.221 148 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.265 148 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.265 148 G C -0.140 174.769 174.900 0.014 0.000 1.041 148 G CA 0.136 45.250 45.100 0.024 0.000 0.807 148 G HN 0.357 nan 8.290 nan 0.000 0.502 149 V N 0.077 119.996 119.914 0.009 0.000 2.349 149 V HA 0.334 4.453 4.120 -0.001 0.000 0.284 149 V C 1.110 177.222 176.094 0.030 0.000 1.014 149 V CA -0.304 62.005 62.300 0.015 0.000 0.826 149 V CB 1.409 33.237 31.823 0.009 0.000 1.009 149 V HN 0.381 nan 8.190 nan 0.000 0.431 150 K N 1.723 122.140 120.400 0.028 0.000 2.137 150 K HA 0.011 4.330 4.320 -0.001 0.000 0.202 150 K C 0.983 177.609 176.600 0.043 0.000 1.052 150 K CA 1.161 57.467 56.287 0.032 0.000 0.961 150 K CB 0.417 32.931 32.500 0.023 0.000 0.741 150 K HN 0.659 nan 8.250 nan 0.000 0.452 151 D N 0.029 120.455 120.400 0.043 0.000 3.050 151 D HA -0.003 4.636 4.640 -0.001 0.000 0.281 151 D C 0.082 176.415 176.300 0.056 0.000 1.246 151 D CA -0.047 53.980 54.000 0.045 0.000 1.073 151 D CB 0.478 41.296 40.800 0.031 0.000 1.382 151 D HN 0.027 nan 8.370 nan 0.000 0.433 152 R N 1.337 121.863 120.500 0.042 0.000 2.679 152 R HA 0.370 4.709 4.340 -0.001 0.000 0.269 152 R C -2.222 174.103 176.300 0.041 0.000 1.076 152 R CA -1.101 55.021 56.100 0.037 0.000 1.160 152 R CB -0.511 29.800 30.300 0.018 0.000 1.054 152 R HN 0.026 nan 8.270 nan 0.000 0.507 153 P HA 0.031 nan 4.420 nan 0.000 0.272 153 P C -0.400 176.860 177.300 -0.067 0.000 1.223 153 P CA -0.153 62.946 63.100 -0.003 0.000 0.784 153 P CB 0.647 32.350 31.700 0.005 0.000 0.923 154 L N 1.450 122.570 121.223 -0.172 0.000 2.453 154 L HA 0.349 4.689 4.340 -0.001 0.000 0.261 154 L C 1.292 178.083 176.870 -0.133 0.000 1.179 154 L CA -0.029 54.711 54.840 -0.167 0.000 0.813 154 L CB 0.388 42.287 42.059 -0.267 0.000 1.110 154 L HN 0.479 nan 8.230 nan 0.000 0.466 155 T N -0.816 113.681 114.554 -0.094 0.000 2.885 155 T HA 0.849 5.198 4.350 -0.001 0.000 0.285 155 T C -0.619 174.029 174.700 -0.087 0.000 1.019 155 T CA -0.778 61.276 62.100 -0.078 0.000 1.010 155 T CB 2.081 70.918 68.868 -0.051 0.000 1.022 155 T HN 0.749 nan 8.240 nan 0.000 0.466 156 A N 1.441 124.206 122.820 -0.092 0.000 2.539 156 A HA 0.847 5.166 4.320 -0.001 0.000 0.296 156 A C -0.479 177.045 177.584 -0.099 0.000 1.073 156 A CA -0.903 51.068 52.037 -0.111 0.000 0.700 156 A CB 1.921 20.838 19.000 -0.138 0.000 1.296 156 A HN 0.898 nan 8.150 nan 0.000 0.405 157 T N 1.030 115.502 114.554 -0.137 0.000 3.109 157 T HA 0.447 4.797 4.350 -0.001 0.000 0.311 157 T C -1.033 173.567 174.700 -0.167 0.000 1.011 157 T CA -0.294 61.722 62.100 -0.140 0.000 1.026 157 T CB 1.276 70.032 68.868 -0.186 0.000 1.047 157 T HN 0.636 nan 8.240 nan 0.000 0.448 158 V N 6.162 126.020 119.914 -0.092 0.000 2.461 158 V HA 0.320 4.440 4.120 -0.001 0.000 0.275 158 V C -1.977 174.048 176.094 -0.116 0.000 1.047 158 V CA -1.827 60.424 62.300 -0.082 0.000 0.955 158 V CB 0.885 32.715 31.823 0.013 0.000 0.988 158 V HN 0.668 nan 8.190 nan 0.000 0.471 159 P HA 0.193 nan 4.420 nan 0.000 0.271 159 P C -0.720 176.635 177.300 0.092 0.000 1.233 159 P CA -0.221 62.775 63.100 -0.174 0.000 0.789 159 P CB 0.493 31.866 31.700 -0.545 0.000 0.951 160 K N 1.873 122.393 120.400 0.201 0.000 2.426 160 K HA 0.420 4.740 4.320 -0.001 0.000 0.254 160 K C -2.390 174.373 176.600 0.272 0.000 0.936 160 K CA -1.734 54.673 56.287 0.199 0.000 0.801 160 K CB 1.651 34.204 32.500 0.090 0.000 1.139 160 K HN 0.368 nan 8.250 nan 0.000 0.424 161 P HA 0.104 nan 4.420 nan 0.000 0.274 161 P C 0.180 177.621 177.300 0.235 0.000 1.260 161 P CA -0.309 62.831 63.100 0.067 0.000 0.793 161 P CB 0.787 32.426 31.700 -0.102 0.000 1.048 162 K N -0.681 119.814 120.400 0.158 0.000 2.361 162 K HA 0.138 4.457 4.320 -0.001 0.000 0.196 162 K C 0.591 177.324 176.600 0.222 0.000 1.039 162 K CA 0.523 56.931 56.287 0.201 0.000 1.001 162 K CB 0.097 32.674 32.500 0.128 0.000 0.795 162 K HN 0.304 nan 8.250 nan 0.000 0.495 163 M N -0.227 119.460 119.600 0.144 0.000 2.644 163 M HA 0.345 4.825 4.480 -0.001 0.000 0.304 163 M C 0.405 176.671 176.300 -0.057 0.000 1.215 163 M CA -0.018 55.381 55.300 0.165 0.000 0.871 163 M CB 1.557 34.211 32.600 0.089 0.000 1.740 163 M HN 0.386 nan 8.290 nan 0.000 0.464 164 G N 0.550 109.386 108.800 0.060 0.000 2.201 164 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.212 164 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.212 164 G C -0.907 173.886 174.900 -0.177 0.000 0.994 164 G CA -0.617 44.336 45.100 -0.245 0.000 0.644 164 G HN 0.652 nan 8.290 nan 0.000 0.508 165 W N 2.815 124.247 121.300 0.219 0.000 2.266 165 W HA 0.563 5.222 4.660 -0.001 0.000 0.317 165 W C 1.242 177.986 176.519 0.375 0.000 1.310 165 W CA 0.194 57.680 57.345 0.234 0.000 1.207 165 W CB 0.765 30.392 29.460 0.279 0.000 1.199 165 W HN 0.457 nan 8.180 nan 0.000 0.544 166 S N 1.046 117.031 115.700 0.475 0.000 2.624 166 S HA 0.138 4.607 4.470 -0.001 0.000 0.263 166 S C 0.777 175.616 174.600 0.399 0.000 1.287 166 S CA -0.709 57.746 58.200 0.426 0.000 0.990 166 S CB 1.079 64.437 63.200 0.262 0.000 0.950 166 S HN 0.376 nan 8.310 nan 0.000 0.561 167 V N 1.018 121.108 119.914 0.294 0.000 2.332 167 V HA -0.125 3.994 4.120 -0.001 0.000 0.248 167 V C 2.851 179.080 176.094 0.225 0.000 1.055 167 V CA 2.467 64.912 62.300 0.240 0.000 1.038 167 V CB -1.297 30.622 31.823 0.160 0.000 0.651 167 V HN 0.989 nan 8.190 nan 0.000 0.450 168 E N 0.507 120.820 120.200 0.189 0.000 2.107 168 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 168 E C 2.106 178.806 176.600 0.167 0.000 0.982 168 E CA 1.444 57.930 56.400 0.143 0.000 0.809 168 E CB -0.199 29.565 29.700 0.108 0.000 0.756 168 E HN 0.681 nan 8.360 nan 0.000 0.459 169 E N -1.105 119.244 120.200 0.250 0.000 2.072 169 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 169 E C 1.704 178.503 176.600 0.331 0.000 0.985 169 E CA 0.949 57.548 56.400 0.332 0.000 0.801 169 E CB -0.250 29.715 29.700 0.442 0.000 0.750 169 E HN 0.298 nan 8.360 nan 0.000 0.452 170 Y N 1.076 121.454 120.300 0.129 0.000 2.163 170 Y HA -0.181 4.368 4.550 -0.001 0.000 0.288 170 Y C 2.305 178.065 175.900 -0.234 0.000 1.136 170 Y CA 1.148 59.130 58.100 -0.198 0.000 1.147 170 Y CB -0.562 37.848 38.460 -0.084 0.000 0.987 170 Y HN 0.004 nan 8.280 nan 0.000 0.509 171 A N -0.049 122.789 122.820 0.031 0.000 1.917 171 A HA -0.266 4.053 4.320 -0.001 0.000 0.219 171 A C 2.113 179.657 177.584 -0.068 0.000 1.182 171 A CA 2.210 54.226 52.037 -0.035 0.000 0.633 171 A CB -0.695 18.331 19.000 0.044 0.000 0.819 171 A HN 0.610 nan 8.150 nan 0.000 0.448 172 E N -1.263 118.915 120.200 -0.035 0.000 2.107 172 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 172 E C 1.860 178.419 176.600 -0.069 0.000 0.982 172 E CA 0.949 57.341 56.400 -0.013 0.000 0.809 172 E CB -0.167 29.549 29.700 0.027 0.000 0.756 172 E HN 0.614 nan 8.360 nan 0.000 0.459 173 I N 1.108 121.544 120.570 -0.223 0.000 2.286 173 I HA -0.151 4.018 4.170 -0.001 0.000 0.245 173 I C 2.116 177.939 176.117 -0.490 0.000 1.104 173 I CA 1.110 62.193 61.300 -0.361 0.000 1.397 173 I CB -0.348 37.303 38.000 -0.582 0.000 1.072 173 I HN -0.018 nan 8.210 nan 0.000 0.417 174 A N -0.219 122.196 122.820 -0.676 0.000 1.892 174 A HA -0.335 3.984 4.320 -0.001 0.000 0.218 174 A C 2.452 179.756 177.584 -0.465 0.000 1.188 174 A CA 2.237 53.741 52.037 -0.887 0.000 0.631 174 A CB -1.551 16.818 19.000 -1.051 0.000 0.822 174 A HN 0.631 nan 8.150 nan 0.000 0.447 175 Y N 0.633 120.796 120.300 -0.230 0.000 2.165 175 Y HA -0.234 4.315 4.550 -0.001 0.000 0.286 175 Y C 2.446 178.315 175.900 -0.052 0.000 1.155 175 Y CA 2.163 60.251 58.100 -0.019 0.000 1.164 175 Y CB -0.006 38.447 38.460 -0.012 0.000 0.978 175 Y HN 0.328 nan 8.280 nan 0.000 0.513 176 E N 0.499 120.659 120.200 -0.068 0.000 2.058 176 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 176 E C 2.316 178.787 176.600 -0.215 0.000 0.997 176 E CA 1.632 57.950 56.400 -0.138 0.000 0.801 176 E CB -0.680 28.965 29.700 -0.091 0.000 0.746 176 E HN 0.551 nan 8.360 nan 0.000 0.450 177 L N -0.661 120.393 121.223 -0.282 0.000 2.005 177 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 177 L C 2.650 179.404 176.870 -0.192 0.000 1.072 177 L CA 1.036 55.700 54.840 -0.293 0.000 0.744 177 L CB -0.483 41.301 42.059 -0.460 0.000 0.895 177 L HN 0.206 nan 8.230 nan 0.000 0.433 178 W N 0.548 121.685 121.300 -0.272 0.000 2.335 178 W HA -0.154 4.505 4.660 -0.001 0.000 0.311 178 W C 2.869 179.224 176.519 -0.273 0.000 1.213 178 W CA 1.335 58.529 57.345 -0.251 0.000 1.274 178 W CB -1.139 28.172 29.460 -0.250 0.000 1.148 178 W HN 0.161 nan 8.180 nan 0.000 0.498 179 S N -0.422 115.181 115.700 -0.162 0.000 2.423 179 S HA -0.059 4.411 4.470 -0.001 0.000 0.231 179 S C 2.008 176.509 174.600 -0.165 0.000 1.014 179 S CA 1.297 59.336 58.200 -0.269 0.000 0.965 179 S CB -0.657 62.215 63.200 -0.548 0.000 0.785 179 S HN 0.338 nan 8.310 nan 0.000 0.495 180 G N 0.072 108.786 108.800 -0.144 0.000 2.712 180 G HA2 0.390 4.349 3.960 -0.001 0.000 0.212 180 G HA3 0.390 4.349 3.960 -0.001 0.000 0.212 180 G C 0.877 175.727 174.900 -0.085 0.000 1.142 180 G CA 0.517 45.547 45.100 -0.116 0.000 0.789 180 G HN 0.726 nan 8.290 nan 0.000 0.535 181 G N -0.621 108.142 108.800 -0.062 0.000 2.425 181 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.177 181 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.177 181 G C 0.192 175.085 174.900 -0.012 0.000 0.999 181 G CA -0.365 44.713 45.100 -0.036 0.000 0.723 181 G HN 0.150 nan 8.290 nan 0.000 0.491 182 I N 2.385 122.949 120.570 -0.009 0.000 2.710 182 I HA 0.165 4.334 4.170 -0.001 0.000 0.286 182 I C 0.947 177.131 176.117 0.112 0.000 1.181 182 I CA 0.171 61.472 61.300 0.002 0.000 1.430 182 I CB 0.702 38.652 38.000 -0.084 0.000 1.367 182 I HN 0.106 nan 8.210 nan 0.000 0.577 183 D N 5.231 125.673 120.400 0.070 0.000 2.201 183 D HA 0.083 4.723 4.640 -0.001 0.000 0.209 183 D C 0.407 176.826 176.300 0.197 0.000 0.961 183 D CA 1.134 55.193 54.000 0.098 0.000 0.861 183 D CB 0.537 41.353 40.800 0.026 0.000 0.997 183 D HN 0.316 nan 8.370 nan 0.000 0.486 184 L N 2.047 123.332 121.223 0.104 0.000 2.345 184 L HA 0.292 4.631 4.340 -0.001 0.000 0.274 184 L C -0.566 176.278 176.870 -0.043 0.000 0.999 184 L CA -0.883 53.998 54.840 0.068 0.000 0.849 184 L CB 2.247 44.229 42.059 -0.129 0.000 1.220 184 L HN -0.093 nan 8.230 nan 0.000 0.422 185 L N 4.308 125.491 121.223 -0.066 0.000 2.456 185 L HA 0.236 4.575 4.340 -0.001 0.000 0.272 185 L C -0.056 176.772 176.870 -0.071 0.000 1.189 185 L CA 0.721 55.329 54.840 -0.387 0.000 0.846 185 L CB 0.433 41.908 42.059 -0.973 0.000 1.111 185 L HN 0.565 nan 8.230 nan 0.000 0.475 186 K N 3.299 123.639 120.400 -0.100 0.000 2.541 186 K HA 0.316 4.635 4.320 -0.001 0.000 0.250 186 K C -1.370 175.297 176.600 0.111 0.000 0.950 186 K CA -0.736 55.569 56.287 0.032 0.000 0.805 186 K CB 1.040 33.512 32.500 -0.046 0.000 1.166 186 K HN 0.613 nan 8.250 nan 0.000 0.430 187 D N 2.351 122.910 120.400 0.264 0.000 2.339 187 D HA 0.020 4.659 4.640 -0.001 0.000 0.245 187 D C -0.332 176.086 176.300 0.196 0.000 1.115 187 D CA 0.119 54.294 54.000 0.291 0.000 0.917 187 D CB 1.161 42.225 40.800 0.441 0.000 1.192 187 D HN 0.546 nan 8.370 nan 0.000 0.428 188 D N 0.299 120.797 120.400 0.165 0.000 2.382 188 D HA -0.075 4.564 4.640 -0.001 0.000 0.240 188 D C 1.536 177.889 176.300 0.089 0.000 1.146 188 D CA -0.189 53.888 54.000 0.130 0.000 0.897 188 D CB 0.800 41.689 40.800 0.148 0.000 1.197 188 D HN 0.282 nan 8.370 nan 0.000 0.432 189 E N 2.385 122.502 120.200 -0.138 0.000 2.219 189 E HA -0.282 4.067 4.350 -0.001 0.000 0.198 189 E C 0.393 176.994 176.600 0.001 0.000 0.998 189 E CA 1.153 57.405 56.400 -0.246 0.000 0.818 189 E CB -0.265 29.068 29.700 -0.612 0.000 0.741 189 E HN 0.425 nan 8.360 nan 0.000 0.477 190 N N -0.065 118.703 118.700 0.112 0.000 2.353 190 N HA 0.028 4.768 4.740 -0.001 0.000 0.185 190 N C -0.490 175.244 175.510 0.373 0.000 1.098 190 N CA 0.091 53.262 53.050 0.202 0.000 0.872 190 N CB -0.110 38.499 38.487 0.204 0.000 0.970 190 N HN 0.140 nan 8.380 nan 0.000 0.467 191 F N 2.143 122.223 119.950 0.217 0.000 2.351 191 F HA 0.201 4.727 4.527 -0.001 0.000 0.362 191 F C 1.459 177.358 175.800 0.165 0.000 1.131 191 F CA -0.372 57.835 58.000 0.346 0.000 1.187 191 F CB 0.386 39.556 39.000 0.283 0.000 1.434 191 F HN -0.072 nan 8.300 nan 0.000 0.553 192 T N -0.043 114.360 114.554 -0.252 0.000 3.395 192 T HA 0.282 4.631 4.350 -0.001 0.000 0.230 192 T C 0.347 174.695 174.700 -0.587 0.000 0.958 192 T CA 0.096 61.985 62.100 -0.353 0.000 1.377 192 T CB 0.170 68.838 68.868 -0.334 0.000 1.124 192 T HN 0.349 nan 8.240 nan 0.000 0.425 193 S N -0.085 114.963 115.700 -1.086 0.000 2.584 193 S HA 0.642 5.111 4.470 -0.001 0.000 0.280 193 S C -2.118 171.715 174.600 -1.279 0.000 1.162 193 S CA -0.955 56.735 58.200 -0.850 0.000 0.951 193 S CB 0.465 63.439 63.200 -0.377 0.000 1.108 193 S HN 0.378 nan 8.310 nan 0.000 0.464 194 F N 3.237 122.905 119.950 -0.471 0.000 2.629 194 F HA 0.509 5.036 4.527 -0.001 0.000 0.316 194 F C -1.717 173.749 175.800 -0.556 0.000 1.081 194 F CA -2.031 55.594 58.000 -0.624 0.000 0.954 194 F CB 1.353 39.611 39.000 -1.235 0.000 1.337 194 F HN 0.301 nan 8.300 nan 0.000 0.474 195 P HA -0.209 nan 4.420 nan 0.000 0.216 195 P C 1.192 178.456 177.300 -0.059 0.000 1.153 195 P CA 1.858 64.898 63.100 -0.101 0.000 0.858 195 P CB -0.161 31.560 31.700 0.035 0.000 0.789 196 F N -3.514 116.508 119.950 0.120 0.000 2.789 196 F HA 0.294 4.821 4.527 -0.001 0.000 0.300 196 F C 0.598 176.476 175.800 0.129 0.000 1.132 196 F CA -0.013 58.049 58.000 0.104 0.000 1.404 196 F CB -0.698 38.351 39.000 0.081 0.000 1.114 196 F HN -0.190 nan 8.300 nan 0.000 0.584 197 N N 1.475 120.094 118.700 -0.135 0.000 2.716 197 N HA 0.161 4.900 4.740 -0.001 0.000 0.245 197 N C -1.118 174.305 175.510 -0.146 0.000 1.495 197 N CA -0.226 52.814 53.050 -0.017 0.000 0.759 197 N CB 0.627 39.186 38.487 0.120 0.000 1.261 197 N HN 0.175 nan 8.380 nan 0.000 0.515 198 R N 0.984 121.432 120.500 -0.086 0.000 2.537 198 R HA 0.079 4.419 4.340 -0.001 0.000 0.280 198 R C 1.197 177.481 176.300 -0.026 0.000 1.058 198 R CA -0.205 55.852 56.100 -0.072 0.000 1.057 198 R CB 0.755 31.041 30.300 -0.023 0.000 0.973 198 R HN 0.351 nan 8.270 nan 0.000 0.438 199 F N 2.559 122.421 119.950 -0.147 0.000 2.095 199 F HA -0.256 4.270 4.527 -0.001 0.000 0.298 199 F C 2.182 177.978 175.800 -0.007 0.000 1.104 199 F CA 2.019 59.961 58.000 -0.096 0.000 1.232 199 F CB 0.087 39.014 39.000 -0.122 0.000 0.987 199 F HN 0.654 nan 8.300 nan 0.000 0.475 200 E N -0.123 120.176 120.200 0.165 0.000 2.150 200 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 200 E C 1.995 178.606 176.600 0.018 0.000 0.985 200 E CA 1.385 57.844 56.400 0.098 0.000 0.814 200 E CB -0.111 29.661 29.700 0.121 0.000 0.752 200 E HN 0.593 nan 8.360 nan 0.000 0.466 201 E N -0.046 120.163 120.200 0.015 0.000 2.107 201 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 201 E C 2.143 178.759 176.600 0.026 0.000 0.982 201 E CA 0.522 56.939 56.400 0.028 0.000 0.809 201 E CB -0.008 29.715 29.700 0.038 0.000 0.756 201 E HN 0.107 nan 8.360 nan 0.000 0.459 202 R N 1.038 121.521 120.500 -0.029 0.000 2.075 202 R HA -0.139 4.200 4.340 -0.001 0.000 0.232 202 R C 2.524 178.855 176.300 0.050 0.000 1.126 202 R CA 1.503 57.606 56.100 0.005 0.000 0.963 202 R CB -0.260 30.002 30.300 -0.063 0.000 0.858 202 R HN 0.187 nan 8.270 nan 0.000 0.435 203 V N -0.803 119.070 119.914 -0.068 0.000 2.287 203 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 203 V C 2.125 178.376 176.094 0.262 0.000 1.053 203 V CA 1.844 64.235 62.300 0.152 0.000 1.027 203 V CB -0.796 31.022 31.823 -0.008 0.000 0.646 203 V HN 0.291 nan 8.190 nan 0.000 0.447 204 R N 0.612 121.192 120.500 0.132 0.000 2.091 204 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 204 R C 2.480 178.870 176.300 0.150 0.000 1.136 204 R CA 2.020 58.198 56.100 0.129 0.000 0.959 204 R CB -0.462 29.886 30.300 0.080 0.000 0.856 204 R HN 0.507 nan 8.270 nan 0.000 0.437 205 K N 0.705 121.186 120.400 0.133 0.000 2.044 205 K HA -0.002 4.317 4.320 -0.001 0.000 0.204 205 K C 1.864 178.544 176.600 0.134 0.000 1.049 205 K CA 1.060 57.418 56.287 0.119 0.000 0.945 205 K CB -0.162 32.401 32.500 0.105 0.000 0.724 205 K HN 0.008 nan 8.250 nan 0.000 0.440 206 L N 0.208 121.520 121.223 0.148 0.000 2.156 206 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 206 L C 1.978 178.852 176.870 0.006 0.000 1.095 206 L CA 1.549 56.436 54.840 0.079 0.000 0.770 206 L CB -0.805 41.265 42.059 0.018 0.000 0.914 206 L HN 0.238 nan 8.230 nan 0.000 0.439 207 Y N 0.207 120.617 120.300 0.184 0.000 2.352 207 Y HA -0.137 4.412 4.550 -0.001 0.000 0.292 207 Y C 2.722 178.645 175.900 0.038 0.000 1.136 207 Y CA 0.829 58.989 58.100 0.100 0.000 1.227 207 Y CB -0.289 38.221 38.460 0.084 0.000 0.991 207 Y HN 0.124 nan 8.280 nan 0.000 0.545 208 R N -0.673 119.926 120.500 0.165 0.000 2.092 208 R HA -0.107 4.233 4.340 -0.001 0.000 0.231 208 R C 2.133 178.473 176.300 0.066 0.000 1.119 208 R CA 1.433 57.590 56.100 0.095 0.000 0.970 208 R CB -0.692 29.656 30.300 0.080 0.000 0.864 208 R HN 0.176 nan 8.270 nan 0.000 0.440 209 V N 1.373 121.342 119.914 0.093 0.000 2.343 209 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 209 V C 2.579 178.711 176.094 0.063 0.000 1.051 209 V CA 1.565 63.951 62.300 0.144 0.000 1.036 209 V CB -0.603 31.366 31.823 0.243 0.000 0.654 209 V HN 0.290 nan 8.190 nan 0.000 0.451 210 R N 0.623 121.030 120.500 -0.155 0.000 2.094 210 R HA -0.212 4.127 4.340 -0.001 0.000 0.239 210 R C 1.937 178.030 176.300 -0.344 0.000 1.137 210 R CA 2.393 58.079 56.100 -0.690 0.000 0.943 210 R CB -0.887 28.962 30.300 -0.751 0.000 0.850 210 R HN 0.497 nan 8.270 nan 0.000 0.433 211 D N -0.156 120.161 120.400 -0.139 0.000 2.178 211 D HA -0.143 4.497 4.640 -0.001 0.000 0.202 211 D C 1.980 178.251 176.300 -0.049 0.000 0.974 211 D CA 0.801 54.757 54.000 -0.074 0.000 0.841 211 D CB -0.270 40.524 40.800 -0.010 0.000 0.953 211 D HN 0.298 nan 8.370 nan 0.000 0.478 212 R N 0.696 121.190 120.500 -0.009 0.000 2.075 212 R HA -0.080 4.259 4.340 -0.001 0.000 0.232 212 R C 1.925 178.256 176.300 0.051 0.000 1.126 212 R CA 0.875 57.000 56.100 0.042 0.000 0.963 212 R CB -0.071 30.284 30.300 0.090 0.000 0.858 212 R HN 0.018 nan 8.270 nan 0.000 0.435 213 V N 1.325 121.248 119.914 0.015 0.000 2.453 213 V HA -0.169 3.951 4.120 -0.001 0.000 0.247 213 V C 2.032 178.062 176.094 -0.106 0.000 1.048 213 V CA 1.813 64.082 62.300 -0.051 0.000 1.049 213 V CB -0.449 31.294 31.823 -0.133 0.000 0.672 213 V HN 0.392 nan 8.190 nan 0.000 0.457 214 E N 0.630 120.741 120.200 -0.149 0.000 2.058 214 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 214 E C 2.376 178.939 176.600 -0.061 0.000 0.997 214 E CA 1.498 57.827 56.400 -0.118 0.000 0.801 214 E CB -0.373 29.254 29.700 -0.122 0.000 0.746 214 E HN 0.592 nan 8.360 nan 0.000 0.450 215 A N 1.345 124.142 122.820 -0.038 0.000 1.908 215 A HA -0.265 4.055 4.320 -0.001 0.000 0.218 215 A C 1.920 179.499 177.584 -0.008 0.000 1.181 215 A CA 1.761 53.788 52.037 -0.016 0.000 0.627 215 A CB -0.465 18.533 19.000 -0.003 0.000 0.818 215 A HN 0.195 nan 8.150 nan 0.000 0.445 216 E N -1.038 119.161 120.200 -0.000 0.000 2.152 216 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 216 E C 2.058 178.649 176.600 -0.014 0.000 0.983 216 E CA 1.519 57.923 56.400 0.007 0.000 0.818 216 E CB -0.103 29.620 29.700 0.039 0.000 0.758 216 E HN 0.855 nan 8.360 nan 0.000 0.467 217 T N -3.916 110.617 114.554 -0.034 0.000 3.015 217 T HA 0.245 4.594 4.350 -0.001 0.000 0.250 217 T C 1.643 176.323 174.700 -0.033 0.000 1.057 217 T CA 0.318 62.394 62.100 -0.041 0.000 1.066 217 T CB 0.648 69.480 68.868 -0.061 0.000 0.959 217 T HN 0.226 nan 8.240 nan 0.000 0.488 218 G N 1.377 110.158 108.800 -0.033 0.000 2.153 218 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.252 218 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.252 218 G C -0.302 174.580 174.900 -0.029 0.000 0.994 218 G CA 0.247 45.331 45.100 -0.026 0.000 0.698 218 G HN 0.670 nan 8.290 nan 0.000 0.521 219 E N 0.086 120.260 120.200 -0.044 0.000 2.212 219 E HA 0.505 4.855 4.350 -0.001 0.000 0.268 219 E C -0.171 176.391 176.600 -0.064 0.000 0.902 219 E CA -0.633 55.742 56.400 -0.042 0.000 0.779 219 E CB 1.327 31.003 29.700 -0.040 0.000 1.172 219 E HN 0.082 nan 8.360 nan 0.000 0.409 220 T N 3.619 118.150 114.554 -0.038 0.000 2.870 220 T HA 0.146 4.495 4.350 -0.001 0.000 0.300 220 T C -0.184 174.471 174.700 -0.075 0.000 0.989 220 T CA -0.147 61.931 62.100 -0.038 0.000 1.139 220 T CB 0.263 69.149 68.868 0.031 0.000 0.920 220 T HN 0.099 nan 8.240 nan 0.000 0.537 221 K N 3.176 123.466 120.400 -0.183 0.000 2.318 221 K HA 0.621 4.940 4.320 -0.001 0.000 0.249 221 K C -0.124 176.352 176.600 -0.208 0.000 0.942 221 K CA -0.827 55.258 56.287 -0.336 0.000 0.808 221 K CB 2.471 34.411 32.500 -0.933 0.000 1.189 221 K HN 0.514 nan 8.250 nan 0.000 0.428 222 E N 0.641 120.870 120.200 0.048 0.000 2.459 222 E HA 0.386 4.735 4.350 -0.001 0.000 0.275 222 E C -1.557 175.336 176.600 0.487 0.000 0.987 222 E CA -0.665 55.897 56.400 0.270 0.000 0.828 222 E CB 2.045 31.996 29.700 0.418 0.000 1.428 222 E HN 0.367 nan 8.360 nan 0.000 0.457 223 Y N 1.328 121.790 120.300 0.271 0.000 2.307 223 Y HA 0.336 4.886 4.550 -0.001 0.000 0.323 223 Y C -1.294 174.679 175.900 0.123 0.000 1.100 223 Y CA -0.995 57.232 58.100 0.212 0.000 1.140 223 Y CB 0.305 38.870 38.460 0.175 0.000 1.159 223 Y HN 0.381 nan 8.280 nan 0.000 0.436 224 L N 8.275 129.592 121.223 0.156 0.000 2.395 224 L HA 0.327 4.667 4.340 -0.001 0.000 0.268 224 L C 0.384 177.231 176.870 -0.038 0.000 1.223 224 L CA 0.016 54.819 54.840 -0.062 0.000 1.093 224 L CB -0.038 41.835 42.059 -0.311 0.000 1.349 224 L HN 0.563 nan 8.230 nan 0.000 0.427 225 I N 2.360 122.788 120.570 -0.236 0.000 2.395 225 I HA 0.092 4.262 4.170 -0.001 0.000 0.289 225 I C 0.533 176.674 176.117 0.041 0.000 1.023 225 I CA -0.128 60.927 61.300 -0.408 0.000 1.350 225 I CB 0.931 38.447 38.000 -0.806 0.000 1.409 225 I HN 0.554 nan 8.210 nan 0.000 0.507 226 N N 7.570 126.367 118.700 0.161 0.000 2.421 226 N HA 0.141 4.880 4.740 -0.001 0.000 0.260 226 N C 1.035 176.630 175.510 0.143 0.000 1.173 226 N CA -0.308 52.848 53.050 0.176 0.000 0.960 226 N CB 0.461 39.068 38.487 0.200 0.000 1.273 226 N HN 0.693 nan 8.380 nan 0.000 0.497 227 I N 0.167 120.760 120.570 0.038 0.000 3.812 227 I HA 0.153 4.322 4.170 -0.001 0.000 0.320 227 I C 0.009 176.028 176.117 -0.163 0.000 1.276 227 I CA -0.273 60.921 61.300 -0.176 0.000 1.164 227 I CB -0.067 37.855 38.000 -0.130 0.000 1.009 227 I HN 0.148 nan 8.210 nan 0.000 0.431 228 T N 2.505 117.017 114.554 -0.071 0.000 2.934 228 T HA 0.507 4.857 4.350 -0.001 0.000 0.306 228 T C 0.429 175.071 174.700 -0.098 0.000 1.042 228 T CA 0.606 62.674 62.100 -0.053 0.000 1.145 228 T CB 0.955 69.814 68.868 -0.014 0.000 0.982 228 T HN 0.750 nan 8.240 nan 0.000 0.544 229 G N 3.264 112.016 108.800 -0.079 0.000 2.341 229 G HA2 0.485 4.445 3.960 -0.001 0.000 0.299 229 G HA3 0.485 4.445 3.960 -0.001 0.000 0.299 229 G C -3.218 171.649 174.900 -0.055 0.000 1.274 229 G CA -1.087 43.962 45.100 -0.085 0.000 0.853 229 G HN 0.499 nan 8.290 nan 0.000 0.493 230 P HA 0.175 nan 4.420 nan 0.000 0.264 230 P C 1.169 178.452 177.300 -0.029 0.000 1.183 230 P CA -0.212 62.866 63.100 -0.037 0.000 0.763 230 P CB 1.234 32.908 31.700 -0.043 0.000 0.807 231 V N 3.543 123.453 119.914 -0.007 0.000 2.392 231 V HA -0.309 3.811 4.120 -0.001 0.000 0.249 231 V C 2.009 178.124 176.094 0.034 0.000 1.059 231 V CA 2.628 64.945 62.300 0.029 0.000 1.051 231 V CB -1.252 30.603 31.823 0.053 0.000 0.658 231 V HN 0.730 nan 8.190 nan 0.000 0.455 232 N N -0.075 118.625 118.700 -0.001 0.000 2.120 232 N HA -0.200 4.539 4.740 -0.001 0.000 0.188 232 N C 1.809 177.305 175.510 -0.022 0.000 1.024 232 N CA 1.731 54.782 53.050 0.001 0.000 0.852 232 N CB -0.377 38.098 38.487 -0.020 0.000 1.003 232 N HN 0.371 nan 8.380 nan 0.000 0.424 233 I N 1.152 121.690 120.570 -0.055 0.000 2.208 233 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 233 I C 2.427 178.463 176.117 -0.135 0.000 1.097 233 I CA 1.290 62.528 61.300 -0.103 0.000 1.363 233 I CB -1.091 36.832 38.000 -0.128 0.000 1.051 233 I HN 0.372 nan 8.210 nan 0.000 0.413 234 M N -0.209 119.332 119.600 -0.099 0.000 2.117 234 M HA -0.232 4.247 4.480 -0.001 0.000 0.262 234 M C 2.248 178.505 176.300 -0.072 0.000 1.065 234 M CA 1.643 56.878 55.300 -0.109 0.000 1.114 234 M CB -0.441 32.134 32.600 -0.041 0.000 1.361 234 M HN 0.263 nan 8.290 nan 0.000 0.408 235 E N 0.804 121.002 120.200 -0.002 0.000 2.077 235 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 235 E C 1.798 178.390 176.600 -0.014 0.000 0.989 235 E CA 1.391 57.803 56.400 0.021 0.000 0.800 235 E CB 0.119 29.890 29.700 0.118 0.000 0.746 235 E HN 0.415 nan 8.360 nan 0.000 0.452 236 K N -0.014 120.367 120.400 -0.031 0.000 2.097 236 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 236 K C 2.355 178.924 176.600 -0.051 0.000 1.049 236 K CA 1.206 57.473 56.287 -0.032 0.000 0.933 236 K CB -0.030 32.447 32.500 -0.039 0.000 0.717 236 K HN 0.082 nan 8.250 nan 0.000 0.442 237 R N 0.265 120.676 120.500 -0.148 0.000 2.090 237 R HA -0.010 4.330 4.340 -0.001 0.000 0.228 237 R C 2.374 178.661 176.300 -0.022 0.000 1.110 237 R CA 1.004 56.962 56.100 -0.237 0.000 0.973 237 R CB -0.248 29.552 30.300 -0.834 0.000 0.869 237 R HN 0.151 nan 8.270 nan 0.000 0.440 238 A N 1.472 124.269 122.820 -0.038 0.000 1.902 238 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 238 A C 1.886 179.479 177.584 0.014 0.000 1.181 238 A CA 1.399 53.443 52.037 0.012 0.000 0.623 238 A CB -0.314 18.682 19.000 -0.006 0.000 0.818 238 A HN 0.302 nan 8.150 nan 0.000 0.443 239 E N -0.737 119.466 120.200 0.005 0.000 2.077 239 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 239 E C 2.084 178.691 176.600 0.011 0.000 0.989 239 E CA 1.450 57.851 56.400 0.002 0.000 0.800 239 E CB -0.260 29.442 29.700 0.003 0.000 0.746 239 E HN 0.672 nan 8.360 nan 0.000 0.452 240 M N 0.137 119.767 119.600 0.049 0.000 2.117 240 M HA -0.175 4.304 4.480 -0.001 0.000 0.262 240 M C 2.371 178.681 176.300 0.018 0.000 1.065 240 M CA 1.119 56.463 55.300 0.074 0.000 1.114 240 M CB -0.139 32.576 32.600 0.191 0.000 1.361 240 M HN 0.014 nan 8.290 nan 0.000 0.408 241 V N 0.299 120.237 119.914 0.040 0.000 2.295 241 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 241 V C 2.617 178.586 176.094 -0.209 0.000 1.049 241 V CA 2.072 64.311 62.300 -0.101 0.000 1.024 241 V CB -1.185 30.661 31.823 0.038 0.000 0.648 241 V HN 0.530 nan 8.190 nan 0.000 0.447 242 A N 0.285 123.041 122.820 -0.106 0.000 1.933 242 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 242 A C 2.042 179.555 177.584 -0.119 0.000 1.175 242 A CA 2.270 54.241 52.037 -0.110 0.000 0.628 242 A CB -0.901 18.063 19.000 -0.059 0.000 0.814 242 A HN 0.634 nan 8.150 nan 0.000 0.444 243 N N -0.248 118.396 118.700 -0.093 0.000 2.223 243 N HA -0.134 4.605 4.740 -0.001 0.000 0.185 243 N C 1.233 176.680 175.510 -0.105 0.000 1.016 243 N CA 1.339 54.344 53.050 -0.076 0.000 0.863 243 N CB -0.068 38.395 38.487 -0.039 0.000 0.983 243 N HN 0.337 nan 8.380 nan 0.000 0.429 244 E N -0.918 119.171 120.200 -0.184 0.000 2.489 244 E HA 0.144 4.494 4.350 -0.001 0.000 0.193 244 E C 0.900 177.347 176.600 -0.255 0.000 1.057 244 E CA 0.534 56.805 56.400 -0.215 0.000 0.866 244 E CB 0.042 29.548 29.700 -0.323 0.000 0.916 244 E HN 0.473 nan 8.360 nan 0.000 0.500 245 G N 0.573 109.226 108.800 -0.245 0.000 2.163 245 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.213 245 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.213 245 G C 0.597 175.372 174.900 -0.208 0.000 0.991 245 G CA -0.177 44.817 45.100 -0.178 0.000 0.653 245 G HN 0.461 nan 8.290 nan 0.000 0.518 246 G N -0.619 107.969 108.800 -0.354 0.000 2.415 246 G HA2 0.515 4.475 3.960 -0.001 0.000 0.269 246 G HA3 0.515 4.475 3.960 -0.001 0.000 0.269 246 G C 0.498 175.301 174.900 -0.162 0.000 1.209 246 G CA -0.015 44.968 45.100 -0.195 0.000 0.835 246 G HN 0.379 nan 8.290 nan 0.000 0.534 247 Q N 0.258 119.948 119.800 -0.182 0.000 2.194 247 Q HA 0.201 4.540 4.340 -0.001 0.000 0.214 247 Q C -0.946 174.824 176.000 -0.383 0.000 0.838 247 Q CA 0.148 55.657 55.803 -0.490 0.000 0.972 247 Q CB 1.025 29.046 28.738 -1.195 0.000 1.131 247 Q HN 0.665 nan 8.270 nan 0.000 0.498 248 Y N 0.211 120.472 120.300 -0.065 0.000 2.492 248 Y HA 0.454 5.004 4.550 -0.001 0.000 0.346 248 Y C -0.474 175.475 175.900 0.082 0.000 0.997 248 Y CA -1.339 56.794 58.100 0.054 0.000 1.025 248 Y CB 2.015 40.554 38.460 0.131 0.000 1.263 248 Y HN -0.193 nan 8.280 nan 0.000 0.454 249 V N 1.364 121.459 119.914 0.301 0.000 2.823 249 V HA 0.652 4.772 4.120 -0.001 0.000 0.312 249 V C -0.757 175.490 176.094 0.254 0.000 1.072 249 V CA -1.106 61.324 62.300 0.218 0.000 0.937 249 V CB 1.951 33.862 31.823 0.147 0.000 1.013 249 V HN 0.851 nan 8.190 nan 0.000 0.430 250 M N 4.654 124.380 119.600 0.209 0.000 2.268 250 M HA 0.735 5.214 4.480 -0.001 0.000 0.344 250 M C -1.811 174.597 176.300 0.180 0.000 1.106 250 M CA -0.414 55.040 55.300 0.258 0.000 1.010 250 M CB 1.375 34.152 32.600 0.295 0.000 1.649 250 M HN 0.764 nan 8.290 nan 0.000 0.443 251 I N 3.762 124.434 120.570 0.170 0.000 2.498 251 I HA 0.273 4.442 4.170 -0.001 0.000 0.290 251 I C -0.966 175.223 176.117 0.121 0.000 1.032 251 I CA -0.906 60.461 61.300 0.112 0.000 1.073 251 I CB 2.138 40.191 38.000 0.088 0.000 1.251 251 I HN 0.626 nan 8.210 nan 0.000 0.426 252 D N 6.880 127.338 120.400 0.096 0.000 2.455 252 D HA 0.130 4.770 4.640 -0.001 0.000 0.234 252 D C 1.399 177.729 176.300 0.050 0.000 1.224 252 D CA 0.048 54.113 54.000 0.109 0.000 0.999 252 D CB 0.603 41.444 40.800 0.068 0.000 1.072 252 D HN 0.508 nan 8.370 nan 0.000 0.514 253 I N -1.180 119.408 120.570 0.029 0.000 2.546 253 I HA -0.179 3.990 4.170 -0.001 0.000 0.255 253 I C 1.476 177.475 176.117 -0.196 0.000 1.163 253 I CA 0.605 61.857 61.300 -0.079 0.000 1.457 253 I CB -0.056 37.889 38.000 -0.090 0.000 1.092 253 I HN 0.008 nan 8.210 nan 0.000 0.434 254 V N 1.083 120.937 119.914 -0.100 0.000 2.346 254 V HA -0.134 3.985 4.120 -0.001 0.000 0.244 254 V C 2.679 178.755 176.094 -0.030 0.000 1.037 254 V CA 1.537 63.790 62.300 -0.079 0.000 1.029 254 V CB -0.305 31.562 31.823 0.074 0.000 0.663 254 V HN 0.360 nan 8.190 nan 0.000 0.454 255 V N 0.743 120.665 119.914 0.013 0.000 2.295 255 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 255 V C 2.713 178.802 176.094 -0.010 0.000 1.049 255 V CA 2.200 64.511 62.300 0.019 0.000 1.024 255 V CB -1.233 30.609 31.823 0.032 0.000 0.648 255 V HN 0.540 nan 8.190 nan 0.000 0.447 256 A N -0.929 121.875 122.820 -0.027 0.000 1.897 256 A HA 0.411 4.730 4.320 -0.001 0.000 0.215 256 A C 1.454 179.011 177.584 -0.045 0.000 1.181 256 A CA 1.568 53.590 52.037 -0.026 0.000 0.620 256 A CB -0.651 18.341 19.000 -0.013 0.000 0.821 256 A HN 1.376 nan 8.150 nan 0.000 0.443 257 G N -3.894 104.830 108.800 -0.126 0.000 2.541 257 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.686 257 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.686 257 G C 0.088 174.896 174.900 -0.154 0.000 1.286 257 G CA -0.151 44.828 45.100 -0.201 0.000 0.894 257 G HN 0.448 nan 8.290 nan 0.000 0.575 258 W N 0.059 121.396 121.300 0.062 0.000 2.381 258 W HA 0.102 4.762 4.660 -0.001 0.000 0.301 258 W C 2.998 179.548 176.519 0.051 0.000 1.205 258 W CA 1.468 58.834 57.345 0.034 0.000 1.285 258 W CB -0.322 29.119 29.460 -0.031 0.000 1.133 258 W HN 0.674 nan 8.180 nan 0.000 0.521 259 S N 0.599 116.459 115.700 0.267 0.000 2.365 259 S HA -0.252 4.217 4.470 -0.001 0.000 0.225 259 S C 1.984 176.687 174.600 0.172 0.000 1.039 259 S CA 1.929 60.240 58.200 0.185 0.000 1.033 259 S CB -0.617 62.659 63.200 0.126 0.000 0.887 259 S HN 0.183 nan 8.310 nan 0.000 0.447 260 A N 1.093 123.997 122.820 0.139 0.000 1.930 260 A HA 0.107 4.426 4.320 -0.001 0.000 0.217 260 A C 2.241 179.930 177.584 0.176 0.000 1.175 260 A CA 1.179 53.304 52.037 0.148 0.000 0.627 260 A CB -0.682 18.372 19.000 0.090 0.000 0.815 260 A HN 0.581 nan 8.150 nan 0.000 0.443 261 L N -0.608 120.713 121.223 0.164 0.000 2.027 261 L HA -0.218 4.121 4.340 -0.001 0.000 0.206 261 L C 2.769 179.754 176.870 0.192 0.000 1.074 261 L CA 1.663 56.605 54.840 0.170 0.000 0.745 261 L CB -0.509 41.674 42.059 0.208 0.000 0.898 261 L HN 0.512 nan 8.230 nan 0.000 0.433 262 Q N -1.208 118.730 119.800 0.230 0.000 2.135 262 Q HA -0.291 4.049 4.340 -0.001 0.000 0.204 262 Q C 1.976 178.076 176.000 0.165 0.000 0.981 262 Q CA 2.083 58.005 55.803 0.198 0.000 0.856 262 Q CB -0.295 28.560 28.738 0.194 0.000 0.902 262 Q HN 0.547 nan 8.270 nan 0.000 0.425 263 Y N 0.595 120.938 120.300 0.072 0.000 2.220 263 Y HA -0.143 4.406 4.550 -0.001 0.000 0.291 263 Y C 2.055 177.981 175.900 0.043 0.000 1.129 263 Y CA 1.112 59.238 58.100 0.044 0.000 1.161 263 Y CB -0.005 38.474 38.460 0.033 0.000 0.997 263 Y HN 0.016 nan 8.280 nan 0.000 0.522 264 M N 0.013 119.583 119.600 -0.051 0.000 2.279 264 M HA -0.137 4.343 4.480 -0.001 0.000 0.264 264 M C 2.183 178.419 176.300 -0.107 0.000 1.062 264 M CA 1.366 56.590 55.300 -0.127 0.000 1.099 264 M CB -1.084 31.525 32.600 0.015 0.000 1.394 264 M HN 0.227 nan 8.290 nan 0.000 0.426 265 R N 1.122 121.605 120.500 -0.028 0.000 2.127 265 R HA -0.129 4.210 4.340 -0.001 0.000 0.238 265 R C 1.825 178.088 176.300 -0.061 0.000 1.134 265 R CA 1.434 57.533 56.100 -0.001 0.000 0.975 265 R CB -0.208 30.130 30.300 0.063 0.000 0.865 265 R HN 0.279 nan 8.270 nan 0.000 0.447 266 E N -0.336 119.781 120.200 -0.138 0.000 2.107 266 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 266 E C 2.056 178.527 176.600 -0.215 0.000 0.982 266 E CA 1.240 57.540 56.400 -0.165 0.000 0.809 266 E CB -0.325 29.265 29.700 -0.184 0.000 0.756 266 E HN 0.208 nan 8.360 nan 0.000 0.459 267 V N 1.908 121.611 119.914 -0.350 0.000 2.295 267 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 267 V C 2.718 178.739 176.094 -0.121 0.000 1.049 267 V CA 2.377 64.514 62.300 -0.272 0.000 1.024 267 V CB -1.204 30.425 31.823 -0.323 0.000 0.648 267 V HN 0.434 nan 8.190 nan 0.000 0.447 268 T N -1.926 112.581 114.554 -0.078 0.000 2.915 268 T HA -0.193 4.157 4.350 -0.001 0.000 0.269 268 T C 1.704 176.410 174.700 0.010 0.000 1.071 268 T CA 1.407 63.506 62.100 -0.001 0.000 1.132 268 T CB -0.285 68.616 68.868 0.055 0.000 0.878 268 T HN 0.400 nan 8.240 nan 0.000 0.479 269 E N 2.079 122.263 120.200 -0.027 0.000 2.097 269 E HA -0.179 4.170 4.350 -0.001 0.000 0.196 269 E C 1.699 178.275 176.600 -0.040 0.000 1.000 269 E CA 1.746 58.120 56.400 -0.044 0.000 0.804 269 E CB -0.626 29.039 29.700 -0.057 0.000 0.740 269 E HN 0.527 nan 8.360 nan 0.000 0.454 270 D N -0.832 119.542 120.400 -0.044 0.000 2.234 270 D HA -0.036 4.604 4.640 -0.001 0.000 0.205 270 D C 1.473 177.761 176.300 -0.020 0.000 0.962 270 D CA 0.634 54.614 54.000 -0.034 0.000 0.855 270 D CB 0.114 40.890 40.800 -0.041 0.000 0.951 270 D HN 0.284 nan 8.370 nan 0.000 0.500 271 L N -0.735 120.481 121.223 -0.011 0.000 2.640 271 L HA 0.259 4.598 4.340 -0.001 0.000 0.230 271 L C 1.055 177.935 176.870 0.018 0.000 1.123 271 L CA 0.085 54.921 54.840 -0.005 0.000 0.900 271 L CB 0.253 42.305 42.059 -0.012 0.000 1.146 271 L HN 0.010 nan 8.230 nan 0.000 0.484 272 G N 1.657 110.493 108.800 0.059 0.000 2.246 272 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.273 272 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.273 272 G C -0.149 174.875 174.900 0.207 0.000 1.055 272 G CA 0.004 45.201 45.100 0.162 0.000 0.851 272 G HN 0.242 nan 8.290 nan 0.000 0.500 273 L N 0.139 121.480 121.223 0.197 0.000 2.307 273 L HA 0.742 5.081 4.340 -0.001 0.000 0.284 273 L C 0.893 177.910 176.870 0.244 0.000 1.023 273 L CA -0.641 54.259 54.840 0.100 0.000 0.810 273 L CB 1.818 43.916 42.059 0.065 0.000 1.231 273 L HN 0.330 nan 8.230 nan 0.000 0.423 274 A N 4.784 127.591 122.820 -0.022 0.000 2.388 274 A HA 0.579 4.899 4.320 -0.001 0.000 0.257 274 A C -0.243 177.489 177.584 0.247 0.000 1.095 274 A CA -0.244 51.860 52.037 0.111 0.000 0.791 274 A CB 0.096 18.937 19.000 -0.265 0.000 1.029 274 A HN 0.664 nan 8.150 nan 0.000 0.489 275 I N 2.068 122.819 120.570 0.303 0.000 2.321 275 I HA 0.171 4.341 4.170 -0.001 0.000 0.291 275 I C -0.094 176.237 176.117 0.357 0.000 0.998 275 I CA -0.313 61.166 61.300 0.299 0.000 1.227 275 I CB 1.084 39.211 38.000 0.211 0.000 1.368 275 I HN 0.817 nan 8.210 nan 0.000 0.466 276 H N 6.276 125.511 119.070 0.276 0.000 2.552 276 H HA 0.607 5.163 4.556 -0.001 0.000 0.311 276 H C -0.471 174.945 175.328 0.146 0.000 1.071 276 H CA -0.495 55.665 56.048 0.186 0.000 1.307 276 H CB 1.111 30.937 29.762 0.107 0.000 1.416 276 H HN 0.690 nan 8.280 nan 0.000 0.464 277 A N 5.918 128.565 122.820 -0.288 0.000 2.260 277 A HA 0.246 4.565 4.320 -0.001 0.000 0.308 277 A C -0.744 176.690 177.584 -0.251 0.000 1.254 277 A CA -0.578 51.368 52.037 -0.150 0.000 0.874 277 A CB 0.101 19.070 19.000 -0.051 0.000 1.153 277 A HN 0.892 nan 8.150 nan 0.000 0.527 278 H N 2.612 121.646 119.070 -0.060 0.000 2.463 278 H HA 0.376 4.931 4.556 -0.001 0.000 0.332 278 H C 0.615 176.007 175.328 0.107 0.000 1.127 278 H CA -0.445 55.698 56.048 0.159 0.000 1.238 278 H CB 1.214 31.115 29.762 0.231 0.000 1.478 278 H HN 0.797 nan 8.280 nan 0.000 0.499 279 R N 2.852 123.363 120.500 0.018 0.000 2.507 279 R HA 0.444 4.783 4.340 -0.001 0.000 0.298 279 R C 0.095 176.514 176.300 0.199 0.000 0.999 279 R CA -0.442 55.686 56.100 0.047 0.000 1.082 279 R CB 0.236 30.446 30.300 -0.150 0.000 1.246 279 R HN 0.338 nan 8.270 nan 0.000 0.553 280 A N 1.517 124.548 122.820 0.353 0.000 2.565 280 A HA 0.154 4.474 4.320 -0.001 0.000 0.237 280 A C 0.939 178.601 177.584 0.130 0.000 1.053 280 A CA 0.822 53.019 52.037 0.266 0.000 0.755 280 A CB -0.008 19.158 19.000 0.277 0.000 0.980 280 A HN 0.798 nan 8.150 nan 0.000 0.506 281 M N 0.127 119.744 119.600 0.028 0.000 3.011 281 M HA -0.311 4.168 4.480 -0.001 0.000 0.211 281 M C 1.119 177.272 176.300 -0.245 0.000 0.583 281 M CA 1.983 57.251 55.300 -0.053 0.000 0.808 281 M CB -2.060 30.565 32.600 0.041 0.000 2.882 281 M HN 1.286 nan 8.290 nan 0.000 0.294 282 H N -0.359 118.535 119.070 -0.294 0.000 2.357 282 H HA 0.075 4.631 4.556 -0.001 0.000 0.296 282 H C 1.708 176.593 175.328 -0.738 0.000 1.108 282 H CA 2.339 58.006 56.048 -0.634 0.000 1.273 282 H CB -0.730 28.832 29.762 -0.333 0.000 1.367 282 H HN 0.537 nan 8.280 nan 0.000 0.498 283 A N 1.268 123.385 122.820 -1.171 0.000 2.121 283 A HA 0.122 4.441 4.320 -0.001 0.000 0.218 283 A C 2.661 179.999 177.584 -0.411 0.000 1.154 283 A CA 1.072 52.635 52.037 -0.789 0.000 0.679 283 A CB -1.147 17.437 19.000 -0.694 0.000 0.795 283 A HN 0.746 nan 8.150 nan 0.000 0.458 284 A N -0.244 122.364 122.820 -0.353 0.000 1.997 284 A HA -0.067 4.252 4.320 -0.001 0.000 0.221 284 A C 1.617 179.202 177.584 0.001 0.000 1.172 284 A CA 1.855 53.821 52.037 -0.119 0.000 0.645 284 A CB -0.721 18.290 19.000 0.019 0.000 0.813 284 A HN 1.219 nan 8.150 nan 0.000 0.454 285 F N -3.426 116.500 119.950 -0.040 0.000 2.856 285 F HA 0.247 4.773 4.527 -0.001 0.000 0.338 285 F C 1.466 177.261 175.800 -0.008 0.000 1.100 285 F CA 0.534 58.508 58.000 -0.044 0.000 1.150 285 F CB -0.444 38.495 39.000 -0.102 0.000 1.101 285 F HN 0.039 nan 8.300 nan 0.000 0.548 286 T N -2.962 111.505 114.554 -0.145 0.000 3.040 286 T HA 0.210 4.559 4.350 -0.001 0.000 0.250 286 T C 1.730 176.445 174.700 0.024 0.000 1.058 286 T CA 0.269 62.382 62.100 0.020 0.000 0.988 286 T CB -0.018 68.902 68.868 0.087 0.000 0.993 286 T HN 0.338 nan 8.240 nan 0.000 0.519 287 R N 1.502 121.985 120.500 -0.029 0.000 2.062 287 R HA 0.130 4.469 4.340 -0.001 0.000 0.226 287 R C 0.765 177.078 176.300 0.021 0.000 1.125 287 R CA 0.418 56.508 56.100 -0.015 0.000 0.966 287 R CB -0.179 30.086 30.300 -0.058 0.000 0.861 287 R HN 0.266 nan 8.270 nan 0.000 0.433 288 N N 1.491 120.218 118.700 0.045 0.000 2.438 288 N HA -0.017 4.723 4.740 -0.001 0.000 0.267 288 N C -1.912 173.640 175.510 0.071 0.000 1.222 288 N CA -1.397 51.695 53.050 0.070 0.000 0.930 288 N CB 1.479 40.037 38.487 0.118 0.000 1.083 288 N HN 0.069 nan 8.380 nan 0.000 0.476 289 P HA -0.046 nan 4.420 nan 0.000 0.226 289 P C 0.467 177.733 177.300 -0.058 0.000 1.153 289 P CA 1.092 64.180 63.100 -0.020 0.000 0.777 289 P CB 0.397 32.069 31.700 -0.048 0.000 0.794 290 R N -2.119 118.416 120.500 0.058 0.000 2.290 290 R HA 0.148 4.487 4.340 -0.001 0.000 0.197 290 R C 0.844 177.399 176.300 0.426 0.000 0.913 290 R CA 0.212 56.430 56.100 0.196 0.000 1.040 290 R CB 0.059 30.511 30.300 0.253 0.000 0.992 290 R HN 0.297 nan 8.270 nan 0.000 0.500 291 H N -0.759 118.438 119.070 0.211 0.000 3.087 291 H HA 0.350 4.906 4.556 -0.001 0.000 0.348 291 H C -0.404 175.028 175.328 0.172 0.000 1.092 291 H CA 0.481 56.673 56.048 0.241 0.000 1.285 291 H CB 1.738 31.613 29.762 0.189 0.000 1.875 291 H HN 0.280 nan 8.280 nan 0.000 0.512 292 G N 3.522 112.198 108.800 -0.207 0.000 2.301 292 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.194 292 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.194 292 G C -1.509 173.404 174.900 0.022 0.000 1.266 292 G CA -0.270 44.669 45.100 -0.268 0.000 1.210 292 G HN 0.551 nan 8.290 nan 0.000 0.524 293 I N 1.780 122.445 120.570 0.158 0.000 2.498 293 I HA 0.448 4.617 4.170 -0.001 0.000 0.290 293 I C 0.938 177.204 176.117 0.248 0.000 1.032 293 I CA -0.501 60.943 61.300 0.241 0.000 1.073 293 I CB 2.260 40.415 38.000 0.258 0.000 1.251 293 I HN 0.857 nan 8.210 nan 0.000 0.426 294 T N 1.649 116.300 114.554 0.161 0.000 2.856 294 T HA 0.080 4.430 4.350 -0.001 0.000 0.306 294 T C 0.823 175.603 174.700 0.134 0.000 1.062 294 T CA -0.490 61.677 62.100 0.112 0.000 1.083 294 T CB 1.056 69.949 68.868 0.042 0.000 0.984 294 T HN 0.649 nan 8.240 nan 0.000 0.542 295 M N 1.475 121.129 119.600 0.090 0.000 2.296 295 M HA 0.083 4.563 4.480 -0.001 0.000 0.265 295 M C 1.630 177.954 176.300 0.040 0.000 1.064 295 M CA 1.128 56.468 55.300 0.067 0.000 1.109 295 M CB -1.150 31.451 32.600 0.001 0.000 1.396 295 M HN 0.743 nan 8.290 nan 0.000 0.430 296 L N 0.368 121.584 121.223 -0.012 0.000 2.027 296 L HA 0.032 4.371 4.340 -0.001 0.000 0.206 296 L C 2.301 179.075 176.870 -0.161 0.000 1.074 296 L CA 2.235 57.005 54.840 -0.117 0.000 0.745 296 L CB -1.312 40.643 42.059 -0.174 0.000 0.898 296 L HN 0.287 nan 8.230 nan 0.000 0.433 297 A N -0.348 122.444 122.820 -0.047 0.000 1.908 297 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 297 A C 2.387 180.150 177.584 0.298 0.000 1.181 297 A CA 2.105 54.201 52.037 0.098 0.000 0.627 297 A CB -1.101 17.999 19.000 0.168 0.000 0.818 297 A HN 0.566 nan 8.150 nan 0.000 0.445 298 L N -0.669 120.752 121.223 0.331 0.000 1.989 298 L HA -0.197 4.143 4.340 -0.001 0.000 0.211 298 L C 2.889 179.989 176.870 0.383 0.000 1.071 298 L CA 1.605 56.740 54.840 0.491 0.000 0.749 298 L CB -0.389 41.941 42.059 0.452 0.000 0.890 298 L HN 0.405 nan 8.230 nan 0.000 0.431 299 A N -0.431 122.518 122.820 0.216 0.000 1.972 299 A HA -0.284 4.035 4.320 -0.001 0.000 0.219 299 A C 2.339 180.075 177.584 0.255 0.000 1.169 299 A CA 2.060 54.224 52.037 0.212 0.000 0.635 299 A CB -0.512 18.590 19.000 0.170 0.000 0.810 299 A HN 0.508 nan 8.150 nan 0.000 0.446 300 K N -0.346 120.073 120.400 0.033 0.000 2.025 300 K HA -0.008 4.312 4.320 -0.001 0.000 0.207 300 K C 2.162 178.895 176.600 0.221 0.000 1.049 300 K CA 1.139 57.380 56.287 -0.078 0.000 0.933 300 K CB -0.345 31.698 32.500 -0.762 0.000 0.714 300 K HN 0.325 nan 8.250 nan 0.000 0.438 301 A N 1.085 124.054 122.820 0.247 0.000 1.902 301 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 301 A C 2.332 179.959 177.584 0.072 0.000 1.181 301 A CA 1.890 53.934 52.037 0.011 0.000 0.623 301 A CB -0.845 17.810 19.000 -0.576 0.000 0.818 301 A HN 0.492 nan 8.150 nan 0.000 0.443 302 A N -0.451 122.550 122.820 0.301 0.000 1.930 302 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 302 A C 2.234 179.980 177.584 0.270 0.000 1.175 302 A CA 1.673 53.936 52.037 0.376 0.000 0.627 302 A CB -0.450 18.777 19.000 0.377 0.000 0.815 302 A HN 0.565 nan 8.150 nan 0.000 0.443 303 R N -1.137 119.535 120.500 0.287 0.000 2.075 303 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 303 R C 2.189 178.635 176.300 0.244 0.000 1.126 303 R CA 1.657 57.921 56.100 0.272 0.000 0.963 303 R CB -0.310 30.195 30.300 0.341 0.000 0.858 303 R HN 0.536 nan 8.270 nan 0.000 0.435 304 M N 0.303 120.053 119.600 0.250 0.000 2.065 304 M HA -0.181 4.298 4.480 -0.001 0.000 0.259 304 M C 2.024 178.380 176.300 0.093 0.000 1.069 304 M CA 1.813 57.139 55.300 0.044 0.000 1.110 304 M CB -0.080 32.424 32.600 -0.160 0.000 1.328 304 M HN 0.203 nan 8.290 nan 0.000 0.405 305 I N -0.648 120.009 120.570 0.146 0.000 2.127 305 I HA -0.184 3.986 4.170 -0.001 0.000 0.241 305 I C 1.130 177.368 176.117 0.201 0.000 1.075 305 I CA 1.437 62.896 61.300 0.265 0.000 1.334 305 I CB -0.358 37.796 38.000 0.256 0.000 1.040 305 I HN 0.628 nan 8.210 nan 0.000 0.405 306 G N 1.014 109.920 108.800 0.177 0.000 2.414 306 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.191 306 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.191 306 G C -0.073 174.922 174.900 0.159 0.000 1.082 306 G CA -0.243 44.944 45.100 0.145 0.000 0.785 306 G HN 0.285 nan 8.290 nan 0.000 0.484 307 V N -2.066 117.953 119.914 0.175 0.000 2.843 307 V HA 0.469 4.588 4.120 -0.001 0.000 0.305 307 V C 0.895 177.096 176.094 0.178 0.000 1.065 307 V CA 0.764 63.168 62.300 0.173 0.000 1.116 307 V CB 1.334 33.248 31.823 0.152 0.000 0.968 307 V HN 0.234 nan 8.190 nan 0.000 0.487 308 D N 2.009 122.541 120.400 0.221 0.000 2.355 308 D HA 0.083 4.722 4.640 -0.001 0.000 0.206 308 D C 0.564 177.028 176.300 0.273 0.000 1.010 308 D CA 0.739 54.889 54.000 0.249 0.000 0.875 308 D CB 0.585 41.579 40.800 0.324 0.000 0.966 308 D HN 0.926 nan 8.370 nan 0.000 0.512 309 Q N 0.377 120.331 119.800 0.258 0.000 2.377 309 Q HA 0.657 4.996 4.340 -0.001 0.000 0.279 309 Q C -1.423 174.580 176.000 0.005 0.000 1.049 309 Q CA -0.767 55.169 55.803 0.222 0.000 0.825 309 Q CB 2.849 31.798 28.738 0.351 0.000 1.401 309 Q HN 0.019 nan 8.270 nan 0.000 0.404 310 I N 0.522 121.058 120.570 -0.056 0.000 2.775 310 I HA 0.324 4.493 4.170 -0.001 0.000 0.295 310 I C -1.092 174.915 176.117 -0.183 0.000 1.287 310 I CA -0.835 60.362 61.300 -0.172 0.000 1.029 310 I CB 2.160 40.142 38.000 -0.030 0.000 1.282 310 I HN 0.767 nan 8.210 nan 0.000 0.426 311 H N 4.897 123.871 119.070 -0.160 0.000 2.848 311 H HA 0.188 4.743 4.556 -0.001 0.000 0.341 311 H C 0.472 175.704 175.328 -0.160 0.000 1.060 311 H CA 0.873 56.826 56.048 -0.158 0.000 1.444 311 H CB 1.099 30.710 29.762 -0.253 0.000 1.446 311 H HN 0.716 nan 8.280 nan 0.000 0.583 312 T N -0.328 114.218 114.554 -0.013 0.000 2.969 312 T HA 0.389 4.739 4.350 -0.001 0.000 0.258 312 T C 0.929 175.581 174.700 -0.079 0.000 0.962 312 T CA 0.168 62.229 62.100 -0.066 0.000 0.903 312 T CB 0.982 69.819 68.868 -0.052 0.000 1.177 312 T HN 0.910 nan 8.240 nan 0.000 0.511 313 G N 0.918 109.674 108.800 -0.073 0.000 2.371 313 G HA2 0.360 4.320 3.960 -0.001 0.000 0.663 313 G HA3 0.360 4.320 3.960 -0.001 0.000 0.663 313 G C -0.539 174.283 174.900 -0.131 0.000 1.311 313 G CA -0.185 44.873 45.100 -0.071 0.000 0.985 313 G HN 1.099 nan 8.290 nan 0.000 0.566 314 T N -2.865 111.636 114.554 -0.088 0.000 2.716 314 T HA 0.960 5.310 4.350 -0.001 0.000 0.286 314 T C -0.220 174.504 174.700 0.040 0.000 1.052 314 T CA 0.163 62.191 62.100 -0.118 0.000 1.024 314 T CB 1.816 70.653 68.868 -0.052 0.000 1.349 314 T HN 2.459 nan 8.240 nan 0.000 0.525 315 A N 1.146 124.053 122.820 0.145 0.000 2.815 315 A HA 0.653 4.972 4.320 -0.001 0.000 0.318 315 A C -0.704 176.974 177.584 0.156 0.000 1.186 315 A CA -0.621 51.568 52.037 0.254 0.000 0.754 315 A CB 0.336 19.636 19.000 0.500 0.000 1.151 315 A HN 0.811 nan 8.150 nan 0.000 0.452 316 V N 1.414 121.384 119.914 0.094 0.000 2.427 316 V HA 0.469 4.588 4.120 -0.001 0.000 0.286 316 V C 1.605 177.734 176.094 0.059 0.000 1.034 316 V CA 0.321 62.657 62.300 0.061 0.000 0.893 316 V CB 1.516 33.375 31.823 0.059 0.000 0.982 316 V HN 0.909 nan 8.190 nan 0.000 0.452 317 G N 2.787 111.615 108.800 0.046 0.000 2.564 317 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.216 317 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.216 317 G C 1.212 176.139 174.900 0.045 0.000 1.124 317 G CA 0.854 45.977 45.100 0.039 0.000 0.764 317 G HN 0.693 nan 8.290 nan 0.000 0.550 318 K N -1.335 119.100 120.400 0.059 0.000 2.230 318 K HA 0.422 4.741 4.320 -0.001 0.000 0.219 318 K C 1.814 178.444 176.600 0.050 0.000 1.033 318 K CA -0.260 56.059 56.287 0.055 0.000 0.937 318 K CB -0.022 32.520 32.500 0.069 0.000 1.018 318 K HN 0.192 nan 8.250 nan 0.000 0.463 319 M N 0.558 120.193 119.600 0.057 0.000 2.043 319 M HA 0.187 4.666 4.480 -0.001 0.000 0.159 319 M C -1.017 175.315 176.300 0.053 0.000 0.939 319 M CA 1.463 56.792 55.300 0.049 0.000 1.332 319 M CB 0.195 32.825 32.600 0.049 0.000 0.854 319 M HN 0.321 nan 8.290 nan 0.000 0.653 320 A N -0.609 122.246 122.820 0.057 0.000 2.435 320 A HA 0.299 4.618 4.320 -0.001 0.000 0.686 320 A C -0.114 177.516 177.584 0.076 0.000 0.138 320 A CA -0.076 52.007 52.037 0.078 0.000 0.024 320 A CB -2.351 16.706 19.000 0.094 0.000 3.974 320 A HN 1.292 nan 8.150 nan 0.000 0.548 321 G N 1.133 109.983 108.800 0.084 0.000 2.583 321 G HA2 0.555 4.515 3.960 -0.001 0.000 0.280 321 G HA3 0.555 4.515 3.960 -0.001 0.000 0.280 321 G C 0.298 175.265 174.900 0.112 0.000 1.376 321 G CA -0.042 45.105 45.100 0.078 0.000 1.043 321 G HN 1.276 nan 8.290 nan 0.000 0.538 322 N N -0.116 118.641 118.700 0.094 0.000 2.427 322 N HA -0.058 4.681 4.740 -0.001 0.000 0.269 322 N C 0.744 176.347 175.510 0.155 0.000 1.235 322 N CA -0.196 52.922 53.050 0.113 0.000 0.934 322 N CB 0.490 39.020 38.487 0.072 0.000 1.121 322 N HN 0.557 nan 8.380 nan 0.000 0.480 323 Y N 5.016 125.373 120.300 0.094 0.000 2.224 323 Y HA -0.164 4.386 4.550 -0.001 0.000 0.289 323 Y C 1.735 177.698 175.900 0.106 0.000 1.146 323 Y CA 1.531 59.713 58.100 0.136 0.000 1.182 323 Y CB 0.240 38.752 38.460 0.088 0.000 0.983 323 Y HN 0.575 nan 8.280 nan 0.000 0.524 324 E N 0.577 120.779 120.200 0.003 0.000 2.077 324 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 324 E C 2.055 178.578 176.600 -0.128 0.000 0.989 324 E CA 1.572 57.908 56.400 -0.105 0.000 0.800 324 E CB -0.302 29.420 29.700 0.037 0.000 0.746 324 E HN 0.749 nan 8.360 nan 0.000 0.452 325 E N 0.564 120.732 120.200 -0.053 0.000 2.046 325 E HA -0.112 4.237 4.350 -0.001 0.000 0.190 325 E C 2.265 178.840 176.600 -0.041 0.000 0.982 325 E CA 0.547 56.926 56.400 -0.035 0.000 0.800 325 E CB -0.031 29.667 29.700 -0.002 0.000 0.756 325 E HN 0.157 nan 8.360 nan 0.000 0.449 326 I N 0.925 121.478 120.570 -0.029 0.000 2.226 326 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 326 I C 2.674 178.811 176.117 0.034 0.000 1.100 326 I CA 0.867 62.172 61.300 0.009 0.000 1.374 326 I CB -0.247 37.792 38.000 0.064 0.000 1.057 326 I HN 0.036 nan 8.210 nan 0.000 0.413 327 K N 0.943 121.289 120.400 -0.091 0.000 2.097 327 K HA -0.187 4.132 4.320 -0.001 0.000 0.206 327 K C 2.182 178.745 176.600 -0.063 0.000 1.049 327 K CA 1.323 57.536 56.287 -0.123 0.000 0.933 327 K CB -0.317 31.858 32.500 -0.541 0.000 0.717 327 K HN 0.250 nan 8.250 nan 0.000 0.442 328 R N 0.522 120.974 120.500 -0.079 0.000 2.096 328 R HA -0.047 4.293 4.340 -0.001 0.000 0.235 328 R C 2.319 178.631 176.300 0.019 0.000 1.127 328 R CA 1.192 57.272 56.100 -0.034 0.000 0.968 328 R CB -0.176 30.096 30.300 -0.047 0.000 0.861 328 R HN 0.110 nan 8.270 nan 0.000 0.440 329 I N 0.694 121.278 120.570 0.023 0.000 2.202 329 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 329 I C 1.844 178.032 176.117 0.118 0.000 1.091 329 I CA 1.555 62.898 61.300 0.072 0.000 1.368 329 I CB -0.443 37.577 38.000 0.034 0.000 1.058 329 I HN 0.337 nan 8.210 nan 0.000 0.410 330 N N 0.606 119.354 118.700 0.079 0.000 2.166 330 N HA -0.187 4.552 4.740 -0.001 0.000 0.186 330 N C 1.292 176.830 175.510 0.046 0.000 1.019 330 N CA 1.142 54.238 53.050 0.076 0.000 0.856 330 N CB -0.055 38.512 38.487 0.134 0.000 0.993 330 N HN 0.300 nan 8.380 nan 0.000 0.426 331 D N 0.677 121.105 120.400 0.047 0.000 2.117 331 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 331 D C 1.593 177.883 176.300 -0.016 0.000 0.987 331 D CA 0.666 54.673 54.000 0.013 0.000 0.829 331 D CB -0.343 40.464 40.800 0.010 0.000 0.961 331 D HN 0.185 nan 8.370 nan 0.000 0.460 332 F N 1.552 121.442 119.950 -0.100 0.000 2.051 332 F HA -0.142 4.384 4.527 -0.001 0.000 0.296 332 F C 2.121 177.838 175.800 -0.139 0.000 1.122 332 F CA 1.206 59.107 58.000 -0.166 0.000 1.201 332 F CB -0.689 38.183 39.000 -0.213 0.000 0.978 332 F HN -0.124 nan 8.300 nan 0.000 0.472 333 L N 0.133 121.089 121.223 -0.444 0.000 2.064 333 L HA -0.289 4.050 4.340 -0.001 0.000 0.216 333 L C 2.369 179.013 176.870 -0.377 0.000 1.077 333 L CA 1.664 56.233 54.840 -0.452 0.000 0.766 333 L CB -0.828 41.178 42.059 -0.089 0.000 0.890 333 L HN 0.295 nan 8.230 nan 0.000 0.435 334 L N -0.831 120.248 121.223 -0.241 0.000 2.592 334 L HA 0.063 4.402 4.340 -0.001 0.000 0.227 334 L C 1.350 178.119 176.870 -0.168 0.000 1.127 334 L CA -0.410 54.323 54.840 -0.178 0.000 0.884 334 L CB -0.132 41.868 42.059 -0.099 0.000 1.065 334 L HN 0.256 nan 8.230 nan 0.000 0.457 335 S N -0.100 115.467 115.700 -0.221 0.000 2.593 335 S HA 0.111 4.581 4.470 -0.001 0.000 0.269 335 S C 0.048 174.592 174.600 -0.094 0.000 1.334 335 S CA -0.700 57.412 58.200 -0.146 0.000 1.015 335 S CB 1.118 64.225 63.200 -0.154 0.000 0.912 335 S HN 0.151 nan 8.310 nan 0.000 0.541 336 K N 0.703 121.090 120.400 -0.021 0.000 2.451 336 K HA 0.082 4.402 4.320 -0.001 0.000 0.280 336 K C -1.389 175.306 176.600 0.157 0.000 1.020 336 K CA -0.103 56.212 56.287 0.046 0.000 1.008 336 K CB 0.234 32.761 32.500 0.045 0.000 0.917 336 K HN 0.737 nan 8.250 nan 0.000 0.478 337 W N 7.278 128.533 121.300 -0.074 0.000 2.258 337 W HA 0.195 4.855 4.660 -0.001 0.000 0.287 337 W C -0.723 175.768 176.519 -0.047 0.000 1.024 337 W CA -0.512 56.801 57.345 -0.052 0.000 1.377 337 W CB -0.192 29.212 29.460 -0.094 0.000 1.351 337 W HN 0.919 nan 8.180 nan 0.000 0.334 338 E N 0.651 120.912 120.200 0.101 0.000 3.401 338 E HA -0.375 3.975 4.350 -0.001 0.000 0.352 338 E C 1.573 178.196 176.600 0.039 0.000 1.523 338 E CA 2.241 58.692 56.400 0.086 0.000 1.794 338 E CB -1.085 28.665 29.700 0.084 0.000 1.792 338 E HN 0.719 nan 8.360 nan 0.000 0.471 339 H N 1.303 120.334 119.070 -0.065 0.000 2.555 339 H HA 0.171 4.727 4.556 -0.001 0.000 0.269 339 H C 1.043 176.324 175.328 -0.078 0.000 0.988 339 H CA 0.303 56.314 56.048 -0.061 0.000 1.178 339 H CB -0.114 29.604 29.762 -0.072 0.000 1.373 339 H HN 0.129 nan 8.280 nan 0.000 0.588 340 I N 3.107 123.432 120.570 -0.408 0.000 2.379 340 I HA 0.113 4.283 4.170 -0.001 0.000 0.290 340 I C 0.733 176.795 176.117 -0.091 0.000 1.063 340 I CA -0.329 60.789 61.300 -0.303 0.000 1.351 340 I CB 0.373 38.135 38.000 -0.396 0.000 1.410 340 I HN 0.014 nan 8.210 nan 0.000 0.505 341 R N 7.488 127.954 120.500 -0.056 0.000 2.734 341 R HA 0.164 4.503 4.340 -0.001 0.000 0.266 341 R C -2.082 174.190 176.300 -0.046 0.000 1.044 341 R CA -1.032 55.045 56.100 -0.039 0.000 1.128 341 R CB 0.082 30.366 30.300 -0.027 0.000 1.010 341 R HN 0.419 nan 8.270 nan 0.000 0.461 342 P HA 0.058 nan 4.420 nan 0.000 0.274 342 P C -0.776 176.440 177.300 -0.141 0.000 1.231 342 P CA -0.137 62.882 63.100 -0.135 0.000 0.790 342 P CB 0.880 32.482 31.700 -0.164 0.000 0.951 343 V N 3.297 123.131 119.914 -0.133 0.000 2.513 343 V HA 0.292 4.412 4.120 -0.001 0.000 0.299 343 V C 0.295 176.356 176.094 -0.055 0.000 1.035 343 V CA -0.647 61.622 62.300 -0.052 0.000 0.889 343 V CB 0.846 32.675 31.823 0.010 0.000 0.988 343 V HN 0.387 nan 8.190 nan 0.000 0.440 344 F N 5.706 125.674 119.950 0.030 0.000 2.543 344 F HA 0.258 4.784 4.527 -0.001 0.000 0.375 344 F C -1.768 174.035 175.800 0.006 0.000 1.075 344 F CA -1.376 56.638 58.000 0.023 0.000 1.225 344 F CB 0.853 39.882 39.000 0.048 0.000 1.099 344 F HN 0.318 nan 8.300 nan 0.000 0.561 345 P HA 0.073 nan 4.420 nan 0.000 0.271 345 P C -0.973 176.376 177.300 0.081 0.000 1.216 345 P CA -0.102 63.059 63.100 0.101 0.000 0.776 345 P CB 0.878 32.614 31.700 0.059 0.000 0.881 346 V N 2.923 122.837 119.914 -0.000 0.000 2.334 346 V HA 0.540 4.659 4.120 -0.001 0.000 0.281 346 V C 0.336 176.433 176.094 0.004 0.000 1.016 346 V CA -0.697 61.584 62.300 -0.032 0.000 0.832 346 V CB 0.920 32.643 31.823 -0.167 0.000 0.999 346 V HN 0.625 nan 8.190 nan 0.000 0.439 347 A N 4.056 126.864 122.820 -0.019 0.000 2.274 347 A HA 0.832 5.152 4.320 -0.001 0.000 0.309 347 A C 0.028 177.623 177.584 0.019 0.000 1.226 347 A CA -0.243 51.765 52.037 -0.048 0.000 0.853 347 A CB 1.146 20.071 19.000 -0.125 0.000 1.146 347 A HN 0.771 nan 8.150 nan 0.000 0.518 348 S N 0.844 116.560 115.700 0.028 0.000 2.537 348 S HA 0.744 5.213 4.470 -0.001 0.000 0.270 348 S C -0.496 174.106 174.600 0.003 0.000 1.142 348 S CA 0.275 58.497 58.200 0.037 0.000 0.870 348 S CB 1.527 64.777 63.200 0.082 0.000 1.112 348 S HN 2.442 nan 8.310 nan 0.000 0.466 349 G N 1.491 110.299 108.800 0.013 0.000 2.243 349 G HA2 0.451 4.410 3.960 -0.001 0.000 0.231 349 G HA3 0.451 4.410 3.960 -0.001 0.000 0.231 349 G C 0.778 175.702 174.900 0.040 0.000 2.559 349 G CA 0.304 45.414 45.100 0.017 0.000 1.110 349 G HN 1.969 nan 8.290 nan 0.000 0.618 350 G N -0.453 108.379 108.800 0.054 0.000 2.179 350 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.257 350 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.257 350 G C 0.664 175.661 174.900 0.161 0.000 1.010 350 G CA 0.670 45.825 45.100 0.091 0.000 0.736 350 G HN 1.385 nan 8.290 nan 0.000 0.513 351 L N 1.188 122.472 121.223 0.103 0.000 2.452 351 L HA 0.602 4.941 4.340 -0.001 0.000 0.267 351 L C 1.118 178.077 176.870 0.148 0.000 1.188 351 L CA -0.390 54.488 54.840 0.063 0.000 0.821 351 L CB 0.566 42.629 42.059 0.006 0.000 1.102 351 L HN 0.578 nan 8.230 nan 0.000 0.470 352 H N -0.001 119.078 119.070 0.015 0.000 2.948 352 H HA 0.277 4.832 4.556 -0.001 0.000 0.315 352 H C -2.797 172.543 175.328 0.019 0.000 1.360 352 H CA -2.011 54.046 56.048 0.015 0.000 1.125 352 H CB 0.888 30.657 29.762 0.011 0.000 1.844 352 H HN 0.138 nan 8.280 nan 0.000 0.529 353 P HA -0.134 nan 4.420 nan 0.000 0.215 353 P C 1.757 179.047 177.300 -0.018 0.000 1.157 353 P CA 2.740 65.864 63.100 0.040 0.000 0.874 353 P CB -0.519 31.234 31.700 0.089 0.000 0.790 354 G N -0.462 108.345 108.800 0.011 0.000 2.485 354 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.221 354 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.221 354 G C 1.249 176.078 174.900 -0.118 0.000 1.115 354 G CA 0.571 45.659 45.100 -0.020 0.000 0.751 354 G HN 0.274 nan 8.290 nan 0.000 0.567 355 L N 0.200 121.259 121.223 -0.274 0.000 2.591 355 L HA 0.171 4.510 4.340 -0.001 0.000 0.228 355 L C 2.566 179.383 176.870 -0.088 0.000 1.133 355 L CA -0.323 54.397 54.840 -0.200 0.000 0.880 355 L CB -0.153 41.727 42.059 -0.299 0.000 1.033 355 L HN 0.102 nan 8.230 nan 0.000 0.450 356 M N 0.082 119.642 119.600 -0.066 0.000 2.117 356 M HA -0.068 4.411 4.480 -0.001 0.000 0.262 356 M C -0.155 176.148 176.300 0.005 0.000 1.065 356 M CA 1.813 57.102 55.300 -0.019 0.000 1.114 356 M CB -2.025 30.568 32.600 -0.012 0.000 1.361 356 M HN 0.038 nan 8.290 nan 0.000 0.408 357 P HA -0.180 nan 4.420 nan 0.000 0.214 357 P C 1.509 178.815 177.300 0.011 0.000 1.163 357 P CA 1.368 64.472 63.100 0.006 0.000 0.883 357 P CB -0.201 31.498 31.700 -0.001 0.000 0.788 358 E N -0.663 119.540 120.200 0.005 0.000 2.077 358 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 358 E C 1.903 178.541 176.600 0.062 0.000 0.989 358 E CA 0.809 57.215 56.400 0.011 0.000 0.800 358 E CB -0.529 29.170 29.700 -0.002 0.000 0.746 358 E HN -0.012 nan 8.360 nan 0.000 0.452 359 L N 1.199 122.479 121.223 0.096 0.000 1.994 359 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 359 L C 2.216 179.231 176.870 0.242 0.000 1.071 359 L CA 1.673 56.641 54.840 0.214 0.000 0.745 359 L CB -0.387 41.751 42.059 0.130 0.000 0.892 359 L HN 0.223 nan 8.230 nan 0.000 0.431 360 I N -1.060 119.591 120.570 0.134 0.000 2.394 360 I HA -0.244 3.926 4.170 -0.001 0.000 0.251 360 I C 2.693 178.861 176.117 0.086 0.000 1.136 360 I CA 0.918 62.289 61.300 0.118 0.000 1.425 360 I CB -0.381 37.662 38.000 0.072 0.000 1.079 360 I HN 0.282 nan 8.210 nan 0.000 0.425 361 R N 1.013 121.542 120.500 0.048 0.000 2.081 361 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 361 R C 2.249 178.532 176.300 -0.028 0.000 1.131 361 R CA 1.496 57.600 56.100 0.006 0.000 0.960 361 R CB -0.084 30.207 30.300 -0.015 0.000 0.856 361 R HN 0.343 nan 8.270 nan 0.000 0.436 362 L N -1.389 119.799 121.223 -0.059 0.000 2.270 362 L HA 0.017 4.356 4.340 -0.001 0.000 0.210 362 L C 1.136 177.744 176.870 -0.437 0.000 1.104 362 L CA 0.803 55.481 54.840 -0.270 0.000 0.804 362 L CB 0.128 41.956 42.059 -0.385 0.000 0.937 362 L HN 0.163 nan 8.230 nan 0.000 0.450 363 F N -1.003 119.011 119.950 0.106 0.000 2.767 363 F HA 0.422 4.948 4.527 -0.001 0.000 0.323 363 F C 1.228 177.068 175.800 0.067 0.000 1.091 363 F CA 0.216 58.270 58.000 0.090 0.000 1.192 363 F CB 0.813 39.865 39.000 0.088 0.000 1.056 363 F HN 0.041 nan 8.300 nan 0.000 0.571 364 G N 1.016 109.932 108.800 0.193 0.000 2.660 364 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.247 364 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.247 364 G C 0.232 175.213 174.900 0.134 0.000 1.328 364 G CA -0.419 44.760 45.100 0.132 0.000 0.884 364 G HN 0.167 nan 8.290 nan 0.000 0.531 365 K N -0.320 120.146 120.400 0.111 0.000 2.356 365 K HA 0.125 4.444 4.320 -0.001 0.000 0.195 365 K C -0.009 176.689 176.600 0.164 0.000 1.037 365 K CA 0.369 56.722 56.287 0.110 0.000 1.014 365 K CB 0.320 32.870 32.500 0.083 0.000 0.815 365 K HN 0.348 nan 8.250 nan 0.000 0.507 366 D N 1.850 122.366 120.400 0.192 0.000 2.558 366 D HA 0.217 4.857 4.640 -0.001 0.000 0.221 366 D C -0.694 175.856 176.300 0.417 0.000 1.143 366 D CA 0.365 54.560 54.000 0.326 0.000 1.010 366 D CB 0.098 40.964 40.800 0.111 0.000 1.068 366 D HN 0.043 nan 8.370 nan 0.000 0.511 367 L N 0.303 121.737 121.223 0.351 0.000 2.466 367 L HA 0.444 4.783 4.340 -0.001 0.000 0.258 367 L C -0.487 176.293 176.870 -0.149 0.000 0.973 367 L CA -1.204 53.737 54.840 0.169 0.000 0.826 367 L CB 2.538 44.646 42.059 0.082 0.000 1.372 367 L HN -0.209 nan 8.230 nan 0.000 0.409 368 V N 3.266 123.043 119.914 -0.229 0.000 2.407 368 V HA 0.407 4.526 4.120 -0.001 0.000 0.278 368 V C 0.006 176.029 176.094 -0.119 0.000 1.037 368 V CA -0.197 61.940 62.300 -0.271 0.000 0.900 368 V CB 1.572 33.222 31.823 -0.287 0.000 0.983 368 V HN 0.436 nan 8.190 nan 0.000 0.459 369 I N 4.779 125.290 120.570 -0.099 0.000 2.359 369 I HA 0.319 4.488 4.170 -0.001 0.000 0.284 369 I C 0.026 176.120 176.117 -0.039 0.000 1.018 369 I CA -0.332 60.938 61.300 -0.050 0.000 1.173 369 I CB 1.331 39.308 38.000 -0.038 0.000 1.326 369 I HN 0.523 nan 8.210 nan 0.000 0.462 370 Q N 5.666 125.463 119.800 -0.005 0.000 2.279 370 Q HA 0.503 4.842 4.340 -0.001 0.000 0.256 370 Q C -0.441 175.568 176.000 0.014 0.000 0.937 370 Q CA -0.129 55.682 55.803 0.013 0.000 0.933 370 Q CB 1.752 30.541 28.738 0.085 0.000 1.189 370 Q HN 0.801 nan 8.270 nan 0.000 0.417 371 A N 3.544 126.365 122.820 0.002 0.000 2.897 371 A HA 0.379 4.699 4.320 -0.001 0.000 0.230 371 A C 0.883 178.473 177.584 0.010 0.000 0.896 371 A CA 0.187 52.234 52.037 0.017 0.000 1.114 371 A CB 0.083 19.094 19.000 0.019 0.000 1.230 371 A HN 0.783 nan 8.150 nan 0.000 0.481 372 G N 0.587 109.386 108.800 -0.002 0.000 2.421 372 G HA2 0.045 4.004 3.960 -0.001 0.000 0.216 372 G HA3 0.045 4.004 3.960 -0.001 0.000 0.216 372 G C 1.459 176.358 174.900 -0.002 0.000 1.171 372 G CA 1.473 46.560 45.100 -0.021 0.000 0.775 372 G HN 0.861 nan 8.290 nan 0.000 0.543 373 G N 0.793 109.603 108.800 0.017 0.000 2.446 373 G HA2 0.024 3.984 3.960 -0.001 0.000 0.217 373 G HA3 0.024 3.984 3.960 -0.001 0.000 0.217 373 G C 1.773 176.685 174.900 0.020 0.000 1.168 373 G CA 1.412 46.523 45.100 0.019 0.000 0.771 373 G HN 0.609 nan 8.290 nan 0.000 0.551 374 G N -0.067 108.757 108.800 0.040 0.000 2.421 374 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.217 374 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.217 374 G C 1.731 176.668 174.900 0.062 0.000 1.143 374 G CA 1.038 46.169 45.100 0.052 0.000 0.784 374 G HN 0.330 nan 8.290 nan 0.000 0.541 375 V N 1.260 121.199 119.914 0.042 0.000 2.283 375 V HA -0.121 3.998 4.120 -0.001 0.000 0.243 375 V C 2.904 179.012 176.094 0.023 0.000 1.039 375 V CA 1.528 63.843 62.300 0.026 0.000 1.016 375 V CB -0.296 31.511 31.823 -0.026 0.000 0.650 375 V HN 0.253 nan 8.190 nan 0.000 0.449 376 M N 0.415 120.017 119.600 0.004 0.000 2.279 376 M HA -0.065 4.415 4.480 -0.001 0.000 0.264 376 M C 2.071 178.391 176.300 0.033 0.000 1.062 376 M CA 1.836 57.141 55.300 0.008 0.000 1.099 376 M CB -1.487 31.120 32.600 0.013 0.000 1.394 376 M HN 0.460 nan 8.290 nan 0.000 0.426 377 G N -1.900 106.921 108.800 0.035 0.000 2.939 377 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.210 377 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.210 377 G C 0.587 175.506 174.900 0.031 0.000 1.160 377 G CA -0.254 44.858 45.100 0.020 0.000 0.770 377 G HN 0.418 nan 8.290 nan 0.000 0.543 378 H N 1.489 120.546 119.070 -0.021 0.000 3.092 378 H HA -0.010 4.546 4.556 -0.001 0.000 0.332 378 H C -1.192 174.126 175.328 -0.017 0.000 1.029 378 H CA -0.573 55.464 56.048 -0.019 0.000 1.376 378 H CB 1.587 31.339 29.762 -0.017 0.000 1.329 378 H HN -0.012 nan 8.280 nan 0.000 0.598 379 P HA -0.108 nan 4.420 nan 0.000 0.218 379 P C 0.444 177.825 177.300 0.134 0.000 1.148 379 P CA 1.275 64.377 63.100 0.004 0.000 0.822 379 P CB 0.338 31.983 31.700 -0.091 0.000 0.784 380 D N -1.092 119.511 120.400 0.339 0.000 2.342 380 D HA 0.285 4.924 4.640 -0.001 0.000 0.221 380 D C 1.147 177.498 176.300 0.085 0.000 1.101 380 D CA 0.556 54.657 54.000 0.169 0.000 0.837 380 D CB 0.185 41.063 40.800 0.130 0.000 0.938 380 D HN 0.104 nan 8.370 nan 0.000 0.508 381 G N 1.354 110.221 108.800 0.112 0.000 2.661 381 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.685 381 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.685 381 G C -2.232 172.663 174.900 -0.007 0.000 1.298 381 G CA -0.865 44.258 45.100 0.039 0.000 0.855 381 G HN -0.141 nan 8.290 nan 0.000 0.560 382 P HA -0.073 nan 4.420 nan 0.000 0.216 382 P C 1.888 179.121 177.300 -0.112 0.000 1.150 382 P CA 1.679 64.742 63.100 -0.062 0.000 0.837 382 P CB 0.014 31.665 31.700 -0.082 0.000 0.786 383 R N -0.138 120.292 120.500 -0.116 0.000 2.073 383 R HA -0.079 4.261 4.340 -0.001 0.000 0.234 383 R C 2.154 178.348 176.300 -0.176 0.000 1.134 383 R CA 1.656 57.675 56.100 -0.135 0.000 0.952 383 R CB -0.927 29.309 30.300 -0.106 0.000 0.850 383 R HN 0.048 nan 8.270 nan 0.000 0.433 384 A N 0.075 122.754 122.820 -0.236 0.000 1.902 384 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 384 A C 2.333 179.578 177.584 -0.565 0.000 1.181 384 A CA 1.724 53.507 52.037 -0.425 0.000 0.623 384 A CB -1.244 17.422 19.000 -0.556 0.000 0.818 384 A HN 0.588 nan 8.150 nan 0.000 0.443 385 G N -0.818 107.725 108.800 -0.428 0.000 2.422 385 G HA2 0.072 4.031 3.960 -0.001 0.000 0.218 385 G HA3 0.072 4.031 3.960 -0.001 0.000 0.218 385 G C 1.655 176.509 174.900 -0.076 0.000 1.140 385 G CA 1.291 46.306 45.100 -0.141 0.000 0.775 385 G HN 0.763 nan 8.290 nan 0.000 0.545 386 A N 0.854 123.609 122.820 -0.109 0.000 1.873 386 A HA 0.034 4.353 4.320 -0.001 0.000 0.215 386 A C 2.185 179.724 177.584 -0.074 0.000 1.186 386 A CA 2.067 54.053 52.037 -0.085 0.000 0.616 386 A CB -0.402 18.536 19.000 -0.103 0.000 0.823 386 A HN 0.386 nan 8.150 nan 0.000 0.442 387 K N -0.195 120.145 120.400 -0.100 0.000 2.057 387 K HA -0.076 4.244 4.320 -0.001 0.000 0.207 387 K C 2.098 178.669 176.600 -0.049 0.000 1.049 387 K CA 1.335 57.576 56.287 -0.077 0.000 0.931 387 K CB -0.359 32.085 32.500 -0.093 0.000 0.714 387 K HN 0.344 nan 8.250 nan 0.000 0.440 388 A N 1.122 123.913 122.820 -0.049 0.000 1.883 388 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 388 A C 2.072 179.673 177.584 0.028 0.000 1.186 388 A CA 1.561 53.612 52.037 0.023 0.000 0.624 388 A CB -0.733 18.338 19.000 0.119 0.000 0.822 388 A HN 0.396 nan 8.150 nan 0.000 0.444 389 L N -0.493 120.742 121.223 0.019 0.000 2.012 389 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 389 L C 2.469 179.340 176.870 0.001 0.000 1.073 389 L CA 1.876 56.725 54.840 0.015 0.000 0.748 389 L CB -0.488 41.573 42.059 0.004 0.000 0.891 389 L HN 0.235 nan 8.230 nan 0.000 0.431 390 R N -0.153 120.341 120.500 -0.011 0.000 2.081 390 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 390 R C 1.970 178.267 176.300 -0.006 0.000 1.131 390 R CA 1.444 57.537 56.100 -0.012 0.000 0.960 390 R CB -0.949 29.338 30.300 -0.021 0.000 0.856 390 R HN 0.466 nan 8.270 nan 0.000 0.436 391 D N 0.521 120.919 120.400 -0.004 0.000 2.097 391 D HA -0.090 4.549 4.640 -0.001 0.000 0.195 391 D C 1.790 178.094 176.300 0.007 0.000 0.989 391 D CA 1.577 55.578 54.000 0.001 0.000 0.827 391 D CB -0.224 40.578 40.800 0.004 0.000 0.966 391 D HN 0.165 nan 8.370 nan 0.000 0.456 392 A N 0.547 123.374 122.820 0.011 0.000 1.908 392 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 392 A C 2.371 179.960 177.584 0.008 0.000 1.181 392 A CA 0.995 53.040 52.037 0.012 0.000 0.627 392 A CB -0.710 18.299 19.000 0.016 0.000 0.818 392 A HN 0.223 nan 8.150 nan 0.000 0.445 393 I N -0.305 120.268 120.570 0.005 0.000 2.353 393 I HA -0.185 3.985 4.170 -0.001 0.000 0.248 393 I C 1.660 177.782 176.117 0.008 0.000 1.119 393 I CA 1.140 62.443 61.300 0.006 0.000 1.417 393 I CB -0.339 37.662 38.000 0.002 0.000 1.078 393 I HN 0.240 nan 8.210 nan 0.000 0.421 394 D N 1.103 121.507 120.400 0.006 0.000 2.144 394 D HA -0.138 4.501 4.640 -0.001 0.000 0.199 394 D C 2.222 178.527 176.300 0.008 0.000 0.984 394 D CA 1.537 55.541 54.000 0.007 0.000 0.834 394 D CB -0.021 40.782 40.800 0.004 0.000 0.955 394 D HN 0.360 nan 8.370 nan 0.000 0.465 395 A N 1.017 123.842 122.820 0.008 0.000 1.898 395 A HA 0.118 4.438 4.320 -0.001 0.000 0.214 395 A C 2.326 179.915 177.584 0.009 0.000 1.183 395 A CA 1.631 53.673 52.037 0.008 0.000 0.622 395 A CB -0.617 18.388 19.000 0.008 0.000 0.824 395 A HN 0.195 nan 8.150 nan 0.000 0.444 396 A N 0.047 122.873 122.820 0.010 0.000 1.903 396 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 396 A C 2.026 179.619 177.584 0.014 0.000 1.191 396 A CA 1.972 54.016 52.037 0.012 0.000 0.638 396 A CB -0.624 18.385 19.000 0.015 0.000 0.823 396 A HN 0.448 nan 8.150 nan 0.000 0.451 397 I N -0.417 120.163 120.570 0.016 0.000 2.439 397 I HA -0.154 4.015 4.170 -0.001 0.000 0.251 397 I C 1.892 178.017 176.117 0.013 0.000 1.139 397 I CA 1.293 62.603 61.300 0.017 0.000 1.438 397 I CB -0.220 37.792 38.000 0.019 0.000 1.085 397 I HN 0.362 nan 8.210 nan 0.000 0.427 398 E N 0.471 120.678 120.200 0.011 0.000 2.494 398 E HA 0.120 4.470 4.350 -0.001 0.000 0.193 398 E C 1.383 177.988 176.600 0.008 0.000 1.074 398 E CA 0.479 56.884 56.400 0.009 0.000 0.867 398 E CB -0.077 29.627 29.700 0.007 0.000 0.924 398 E HN 0.471 nan 8.360 nan 0.000 0.502 399 G N 1.213 110.018 108.800 0.008 0.000 2.258 399 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.274 399 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.274 399 G C 0.225 175.128 174.900 0.005 0.000 1.021 399 G CA 0.340 45.444 45.100 0.006 0.000 0.798 399 G HN 0.188 nan 8.290 nan 0.000 0.507 400 V N 0.425 120.342 119.914 0.006 0.000 2.407 400 V HA 0.397 4.517 4.120 -0.001 0.000 0.278 400 V C 0.633 176.731 176.094 0.005 0.000 1.037 400 V CA -0.516 61.787 62.300 0.005 0.000 0.900 400 V CB 1.633 33.460 31.823 0.006 0.000 0.983 400 V HN 0.476 nan 8.190 nan 0.000 0.459 401 D N 3.373 123.776 120.400 0.005 0.000 2.488 401 D HA 0.015 4.654 4.640 -0.001 0.000 0.238 401 D C 1.056 177.360 176.300 0.007 0.000 1.138 401 D CA 0.263 54.266 54.000 0.005 0.000 0.873 401 D CB 0.811 41.614 40.800 0.004 0.000 1.183 401 D HN 0.440 nan 8.370 nan 0.000 0.458 402 L N 2.668 123.896 121.223 0.008 0.000 2.046 402 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 402 L C 1.660 178.538 176.870 0.013 0.000 1.077 402 L CA 1.007 55.854 54.840 0.012 0.000 0.747 402 L CB -0.378 41.689 42.059 0.014 0.000 0.896 402 L HN 0.543 nan 8.230 nan 0.000 0.432 403 D N -0.249 120.158 120.400 0.011 0.000 2.178 403 D HA -0.204 4.436 4.640 -0.001 0.000 0.201 403 D C 2.064 178.370 176.300 0.010 0.000 0.980 403 D CA 1.021 55.028 54.000 0.011 0.000 0.842 403 D CB 0.041 40.846 40.800 0.009 0.000 0.948 403 D HN 0.245 nan 8.370 nan 0.000 0.472 404 E N 1.067 121.272 120.200 0.008 0.000 2.051 404 E HA -0.184 4.165 4.350 -0.001 0.000 0.192 404 E C 1.833 178.438 176.600 0.008 0.000 0.991 404 E CA 1.224 57.629 56.400 0.007 0.000 0.799 404 E CB -0.048 29.656 29.700 0.006 0.000 0.748 404 E HN -0.033 nan 8.360 nan 0.000 0.449 405 K N 0.102 120.507 120.400 0.009 0.000 2.103 405 K HA -0.033 4.286 4.320 -0.001 0.000 0.207 405 K C 1.830 178.437 176.600 0.012 0.000 1.048 405 K CA 1.464 57.757 56.287 0.010 0.000 0.930 405 K CB -0.612 31.895 32.500 0.011 0.000 0.716 405 K HN 0.166 nan 8.250 nan 0.000 0.444 406 A N 0.652 123.480 122.820 0.014 0.000 2.070 406 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 406 A C 1.713 179.306 177.584 0.016 0.000 1.159 406 A CA 1.662 53.710 52.037 0.018 0.000 0.656 406 A CB -0.405 18.607 19.000 0.020 0.000 0.800 406 A HN 0.394 nan 8.150 nan 0.000 0.453 407 K N 0.308 120.715 120.400 0.012 0.000 2.288 407 K HA -0.053 4.266 4.320 -0.001 0.000 0.201 407 K C 1.559 178.164 176.600 0.008 0.000 1.048 407 K CA 1.342 57.634 56.287 0.009 0.000 0.956 407 K CB -0.031 32.473 32.500 0.007 0.000 0.746 407 K HN 0.605 nan 8.250 nan 0.000 0.461 408 S N -0.886 114.819 115.700 0.008 0.000 2.578 408 S HA 0.120 4.590 4.470 -0.001 0.000 0.231 408 S C 0.260 174.864 174.600 0.006 0.000 0.994 408 S CA -0.669 57.535 58.200 0.006 0.000 0.956 408 S CB 0.738 63.941 63.200 0.005 0.000 0.870 408 S HN 0.004 nan 8.310 nan 0.000 0.494 409 S N 1.846 117.552 115.700 0.010 0.000 2.496 409 S HA 0.511 4.980 4.470 -0.001 0.000 0.221 409 S C -2.591 172.023 174.600 0.022 0.000 1.260 409 S CA -1.092 57.115 58.200 0.011 0.000 1.181 409 S CB 1.235 64.442 63.200 0.011 0.000 1.136 409 S HN 0.015 nan 8.310 nan 0.000 0.467 410 P HA -0.050 nan 4.420 nan 0.000 0.219 410 P C 0.791 178.134 177.300 0.071 0.000 1.146 410 P CA 1.067 64.189 63.100 0.036 0.000 0.808 410 P CB 0.243 31.959 31.700 0.026 0.000 0.779 411 E N -0.835 119.398 120.200 0.054 0.000 2.076 411 E HA -0.084 4.265 4.350 -0.001 0.000 0.190 411 E C 1.815 178.550 176.600 0.225 0.000 0.979 411 E CA 0.550 56.998 56.400 0.080 0.000 0.807 411 E CB -1.067 28.577 29.700 -0.092 0.000 0.761 411 E HN 0.136 nan 8.360 nan 0.000 0.454 412 L N 1.132 122.421 121.223 0.110 0.000 2.141 412 L HA -0.094 4.245 4.340 -0.001 0.000 0.209 412 L C 1.992 178.912 176.870 0.084 0.000 1.094 412 L CA 1.725 56.625 54.840 0.100 0.000 0.763 412 L CB -0.162 41.930 42.059 0.054 0.000 0.908 412 L HN -0.051 nan 8.230 nan 0.000 0.437 413 K N -0.209 120.232 120.400 0.069 0.000 1.991 413 K HA -0.227 4.093 4.320 -0.001 0.000 0.212 413 K C 2.135 178.756 176.600 0.035 0.000 1.049 413 K CA 1.914 58.228 56.287 0.044 0.000 0.932 413 K CB -0.101 32.420 32.500 0.035 0.000 0.717 413 K HN 0.295 nan 8.250 nan 0.000 0.441 414 K N 0.264 120.692 120.400 0.047 0.000 2.103 414 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 414 K C 2.324 178.861 176.600 -0.106 0.000 1.048 414 K CA 1.420 57.690 56.287 -0.028 0.000 0.930 414 K CB -0.257 32.230 32.500 -0.023 0.000 0.716 414 K HN 0.172 nan 8.250 nan 0.000 0.444 415 S N 1.241 116.905 115.700 -0.061 0.000 2.383 415 S HA -0.068 4.401 4.470 -0.001 0.000 0.227 415 S C 2.023 176.618 174.600 -0.008 0.000 1.026 415 S CA 0.676 58.837 58.200 -0.066 0.000 0.981 415 S CB -0.114 63.132 63.200 0.077 0.000 0.818 415 S HN 0.197 nan 8.310 nan 0.000 0.472 416 L N 1.254 122.489 121.223 0.021 0.000 2.017 416 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 416 L C 3.078 179.953 176.870 0.008 0.000 1.073 416 L CA 1.540 56.399 54.840 0.030 0.000 0.745 416 L CB -0.628 41.449 42.059 0.030 0.000 0.894 416 L HN 0.338 nan 8.230 nan 0.000 0.432 417 R N 0.793 121.288 120.500 -0.009 0.000 2.096 417 R HA -0.206 4.133 4.340 -0.001 0.000 0.235 417 R C 1.915 178.195 176.300 -0.033 0.000 1.127 417 R CA 1.557 57.646 56.100 -0.018 0.000 0.968 417 R CB -0.295 29.992 30.300 -0.021 0.000 0.861 417 R HN 0.421 nan 8.270 nan 0.000 0.440 418 E N 0.144 120.309 120.200 -0.058 0.000 2.136 418 E HA -0.174 4.175 4.350 -0.001 0.000 0.202 418 E C 0.698 177.256 176.600 -0.069 0.000 1.019 418 E CA 1.620 57.971 56.400 -0.083 0.000 0.819 418 E CB -0.026 29.597 29.700 -0.128 0.000 0.739 418 E HN 0.129 nan 8.360 nan 0.000 0.458 419 V N 0.000 119.887 119.914 -0.046 0.000 2.409 419 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 419 V CA 0.000 62.284 62.300 -0.026 0.000 1.235 419 V CB 0.000 31.840 31.823 0.029 0.000 1.184 419 V HN 0.000 nan 8.190 nan 0.000 0.556