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 1v4y_1_A DATA FIRST_RESID 7 DATA SEQUENCE PFDYILSGGT VIDGTNAPGR LADVGVRGDR IAAVGDLSAS SARRRIDVAG DATA SEQUENCE KVVSPGFIDS HTHDDNYLLK HRDMTPKISQ GVTTVVTGNC GISLAPLAHA DATA SEQUENCE NPPAPLDLLD EGGSFRFARF SDYLEALRAA PPAVNAACMV GHSTLRAAVM DATA SEQUENCE PDLRREATAD EIQAMQALAD DALASGAIGI STGAFYPPAA HASTEEIIEV DATA SEQUENCE CRPLITHGGV YATAMRDEGE HIVQALEETF RIGRELDVPV VISHHKVMGK DATA SEQUENCE LNFGRSKETL ALIEAAMASQ DVSLDAYPYV AGSTMLKQDR VLLAGRTLIT DATA SEQUENCE WCKPYPELSG RDLEEIAAER GKSKYDVVPE LQPAGAIYFM MDEPDVQRIL DATA SEQUENCE AFGPTMIGSD GLPHDERPHP RLWGTFPRVL GHYSRDLGLF PLETAVWKMT DATA SEQUENCE GLTAAKFGLA ERGQVQPGYY ADLVVFDPAT VADSATFEHP TERAAGIHSV DATA SEQUENCE YVNGAAVWED QSFTGQHAGR VLNR 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.335 177.300 0.058 0.000 1.155 7 P CA 0.000 63.036 63.100 -0.107 0.000 0.800 7 P CB 0.000 31.660 31.700 -0.067 0.000 0.726 8 F N 0.944 120.872 119.950 -0.038 0.000 2.450 8 F HA 0.145 4.677 4.527 0.008 0.000 0.339 8 F C 1.979 177.754 175.800 -0.042 0.000 1.146 8 F CA -0.167 57.790 58.000 -0.072 0.000 1.267 8 F CB 0.142 39.075 39.000 -0.111 0.000 1.178 8 F HN 0.233 nan 8.300 nan 0.000 0.585 9 D N 0.437 120.920 120.400 0.139 0.000 2.144 9 D HA -0.119 4.526 4.640 0.008 0.000 0.200 9 D C -0.164 176.304 176.300 0.280 0.000 0.978 9 D CA 1.907 56.011 54.000 0.173 0.000 0.833 9 D CB -0.003 40.917 40.800 0.201 0.000 0.961 9 D HN 0.565 nan 8.370 nan 0.000 0.470 10 Y N -2.277 118.084 120.300 0.101 0.000 2.677 10 Y HA 0.557 5.112 4.550 0.008 0.000 0.334 10 Y C -1.612 174.326 175.900 0.063 0.000 1.196 10 Y CA -1.339 56.805 58.100 0.073 0.000 1.059 10 Y CB 0.788 39.271 38.460 0.038 0.000 1.315 10 Y HN -0.316 nan 8.280 nan 0.000 0.455 11 I N 3.038 123.732 120.570 0.208 0.000 2.533 11 I HA 0.363 4.537 4.170 0.008 0.000 0.290 11 I C -1.094 175.108 176.117 0.141 0.000 1.056 11 I CA -0.932 60.433 61.300 0.108 0.000 1.057 11 I CB 2.170 40.253 38.000 0.138 0.000 1.240 11 I HN 0.548 nan 8.210 nan 0.000 0.423 12 L N 6.167 127.440 121.223 0.083 0.000 2.268 12 L HA 0.356 4.701 4.340 0.008 0.000 0.289 12 L C 0.215 177.103 176.870 0.029 0.000 1.064 12 L CA -0.166 54.714 54.840 0.066 0.000 0.824 12 L CB 0.611 42.687 42.059 0.028 0.000 1.202 12 L HN 0.642 nan 8.230 nan 0.000 0.433 13 S N 0.590 116.310 115.700 0.032 0.000 2.578 13 S HA 0.796 5.271 4.470 0.008 0.000 0.301 13 S C 0.792 175.392 174.600 0.001 0.000 1.091 13 S CA 0.009 58.219 58.200 0.018 0.000 1.032 13 S CB 2.051 65.269 63.200 0.030 0.000 1.064 13 S HN 0.896 nan 8.310 nan 0.000 0.508 14 G N 0.554 109.351 108.800 -0.004 0.000 2.176 14 G HA2 -0.079 3.886 3.960 0.008 0.000 0.253 14 G HA3 -0.079 3.886 3.960 0.008 0.000 0.253 14 G C 0.524 175.409 174.900 -0.025 0.000 0.979 14 G CA 0.083 45.175 45.100 -0.012 0.000 0.641 14 G HN 1.354 nan 8.290 nan 0.000 0.530 15 G N -1.192 107.588 108.800 -0.033 0.000 2.583 15 G HA2 0.617 4.582 3.960 0.008 0.000 0.280 15 G HA3 0.617 4.582 3.960 0.008 0.000 0.280 15 G C -0.331 174.541 174.900 -0.045 0.000 1.376 15 G CA 0.435 45.505 45.100 -0.050 0.000 1.043 15 G HN 0.596 nan 8.290 nan 0.000 0.538 16 T N 0.246 114.762 114.554 -0.062 0.000 2.770 16 T HA 0.443 4.798 4.350 0.008 0.000 0.283 16 T C -0.249 174.421 174.700 -0.050 0.000 0.988 16 T CA -0.190 61.880 62.100 -0.050 0.000 0.957 16 T CB 1.522 70.359 68.868 -0.053 0.000 0.930 16 T HN 0.255 nan 8.240 nan 0.000 0.443 17 V N 5.398 125.296 119.914 -0.026 0.000 2.432 17 V HA 0.397 4.522 4.120 0.008 0.000 0.275 17 V C 0.108 176.209 176.094 0.012 0.000 1.043 17 V CA -0.541 61.753 62.300 -0.011 0.000 0.925 17 V CB 0.880 32.695 31.823 -0.014 0.000 0.985 17 V HN 0.795 nan 8.190 nan 0.000 0.466 18 I N 5.084 125.681 120.570 0.045 0.000 2.371 18 I HA 0.249 4.424 4.170 0.008 0.000 0.282 18 I C 0.590 176.768 176.117 0.102 0.000 1.031 18 I CA -0.490 60.861 61.300 0.086 0.000 1.180 18 I CB 1.459 39.547 38.000 0.148 0.000 1.336 18 I HN 0.737 nan 8.210 nan 0.000 0.467 19 D N 4.174 124.613 120.400 0.065 0.000 2.378 19 D HA -0.022 4.623 4.640 0.008 0.000 0.227 19 D C 1.400 177.752 176.300 0.086 0.000 1.012 19 D CA 0.690 54.720 54.000 0.050 0.000 0.905 19 D CB 0.213 41.011 40.800 -0.003 0.000 0.895 19 D HN 0.742 nan 8.370 nan 0.000 0.532 20 G N -0.126 108.764 108.800 0.150 0.000 2.159 20 G HA2 -0.310 3.655 3.960 0.008 0.000 0.256 20 G HA3 -0.310 3.655 3.960 0.008 0.000 0.256 20 G C 0.923 176.001 174.900 0.296 0.000 0.977 20 G CA 0.810 46.043 45.100 0.222 0.000 0.652 20 G HN 0.719 nan 8.290 nan 0.000 0.531 21 T N -2.444 112.217 114.554 0.178 0.000 3.134 21 T HA 0.376 4.731 4.350 0.008 0.000 0.260 21 T C 0.761 175.425 174.700 -0.059 0.000 1.027 21 T CA 0.704 62.879 62.100 0.125 0.000 0.913 21 T CB 0.095 68.983 68.868 0.033 0.000 1.046 21 T HN 1.180 nan 8.240 nan 0.000 0.553 22 N N 1.005 119.674 118.700 -0.052 0.000 2.726 22 N HA -0.129 4.615 4.740 0.008 0.000 0.253 22 N C -0.542 174.872 175.510 -0.160 0.000 1.059 22 N CA 0.738 53.647 53.050 -0.235 0.000 0.701 22 N CB -1.483 36.518 38.487 -0.810 0.000 0.899 22 N HN 1.008 nan 8.380 nan 0.000 0.548 23 A N 0.660 123.445 122.820 -0.059 0.000 2.414 23 A HA 0.778 5.103 4.320 0.008 0.000 0.306 23 A C -2.581 174.997 177.584 -0.009 0.000 1.054 23 A CA -1.326 50.684 52.037 -0.045 0.000 0.724 23 A CB 1.396 20.373 19.000 -0.038 0.000 1.267 23 A HN 0.128 nan 8.150 nan 0.000 0.418 24 P HA 0.194 nan 4.420 nan 0.000 0.265 24 P C 0.680 177.989 177.300 0.013 0.000 1.187 24 P CA 0.630 63.736 63.100 0.009 0.000 0.766 24 P CB 0.557 32.259 31.700 0.003 0.000 0.820 25 G N 2.705 111.519 108.800 0.024 0.000 2.554 25 G HA2 0.331 4.296 3.960 0.008 0.000 0.238 25 G HA3 0.331 4.296 3.960 0.008 0.000 0.238 25 G C -0.390 174.512 174.900 0.004 0.000 1.259 25 G CA -0.460 44.650 45.100 0.017 0.000 0.843 25 G HN 0.659 nan 8.290 nan 0.000 0.582 26 R N 0.808 121.306 120.500 -0.003 0.000 2.725 26 R HA 0.490 4.835 4.340 0.008 0.000 0.277 26 R C -0.930 175.363 176.300 -0.012 0.000 0.987 26 R CA -1.121 54.975 56.100 -0.007 0.000 0.901 26 R CB 1.358 31.653 30.300 -0.009 0.000 1.207 26 R HN 0.333 nan 8.270 nan 0.000 0.463 27 L N 2.226 123.442 121.223 -0.012 0.000 2.477 27 L HA 0.487 4.832 4.340 0.008 0.000 0.272 27 L C -0.018 176.844 176.870 -0.013 0.000 1.157 27 L CA 0.266 55.098 54.840 -0.014 0.000 0.889 27 L CB 0.844 42.896 42.059 -0.011 0.000 1.158 27 L HN 0.946 nan 8.230 nan 0.000 0.473 28 A N 3.293 126.104 122.820 -0.015 0.000 2.599 28 A HA 0.541 4.866 4.320 0.008 0.000 0.294 28 A C -1.617 175.958 177.584 -0.015 0.000 1.055 28 A CA -0.917 51.112 52.037 -0.014 0.000 0.683 28 A CB 1.266 20.255 19.000 -0.017 0.000 1.278 28 A HN 0.553 nan 8.150 nan 0.000 0.412 29 D N 0.125 120.520 120.400 -0.009 0.000 2.332 29 D HA 0.559 5.204 4.640 0.008 0.000 0.252 29 D C -0.611 175.672 176.300 -0.029 0.000 1.050 29 D CA -0.095 53.901 54.000 -0.007 0.000 0.970 29 D CB 1.898 42.708 40.800 0.018 0.000 1.141 29 D HN 0.274 nan 8.370 nan 0.000 0.485 30 V N 0.513 120.398 119.914 -0.048 0.000 2.443 30 V HA 0.570 4.694 4.120 0.008 0.000 0.293 30 V C 0.472 176.457 176.094 -0.181 0.000 1.021 30 V CA -0.860 61.374 62.300 -0.110 0.000 0.848 30 V CB 1.705 33.466 31.823 -0.103 0.000 0.998 30 V HN 0.618 nan 8.190 nan 0.000 0.424 31 G N 3.261 111.877 108.800 -0.306 0.000 2.371 31 G HA2 0.645 4.610 3.960 0.008 0.000 0.326 31 G HA3 0.645 4.610 3.960 0.008 0.000 0.326 31 G C -1.075 173.371 174.900 -0.757 0.000 1.127 31 G CA -0.471 44.302 45.100 -0.544 0.000 0.885 31 G HN 0.538 nan 8.290 nan 0.000 0.477 32 V N 1.988 121.415 119.914 -0.813 0.000 2.604 32 V HA 0.645 4.770 4.120 0.008 0.000 0.305 32 V C -0.032 175.748 176.094 -0.523 0.000 1.043 32 V CA -0.941 60.915 62.300 -0.739 0.000 0.888 32 V CB 1.963 33.165 31.823 -1.035 0.000 0.995 32 V HN 0.809 nan 8.190 nan 0.000 0.429 33 R N 2.559 122.871 120.500 -0.313 0.000 2.473 33 R HA 0.590 4.935 4.340 0.008 0.000 0.303 33 R C 0.575 176.844 176.300 -0.051 0.000 1.002 33 R CA 0.624 56.659 56.100 -0.109 0.000 0.884 33 R CB 1.392 31.674 30.300 -0.030 0.000 1.173 33 R HN 1.139 nan 8.270 nan 0.000 0.464 34 G N 3.972 112.778 108.800 0.011 0.000 2.561 34 G HA2 -0.409 3.556 3.960 0.008 0.000 0.289 34 G HA3 -0.409 3.556 3.960 0.008 0.000 0.289 34 G C 0.125 175.063 174.900 0.063 0.000 1.169 34 G CA 0.607 45.735 45.100 0.048 0.000 0.980 34 G HN 0.785 nan 8.290 nan 0.000 0.550 35 D N 1.000 121.448 120.400 0.080 0.000 2.340 35 D HA 0.215 4.859 4.640 0.008 0.000 0.217 35 D C 0.990 177.361 176.300 0.118 0.000 1.081 35 D CA 0.262 54.347 54.000 0.141 0.000 0.842 35 D CB 0.111 41.044 40.800 0.221 0.000 0.934 35 D HN 0.487 nan 8.370 nan 0.000 0.511 36 R N 0.353 120.850 120.500 -0.005 0.000 2.778 36 R HA 0.502 4.847 4.340 0.008 0.000 0.277 36 R C -0.065 176.150 176.300 -0.142 0.000 0.977 36 R CA -0.937 55.115 56.100 -0.079 0.000 0.950 36 R CB 1.729 31.951 30.300 -0.129 0.000 1.165 36 R HN 0.054 nan 8.270 nan 0.000 0.474 37 I N 2.078 122.571 120.570 -0.128 0.000 2.379 37 I HA 0.034 4.209 4.170 0.008 0.000 0.290 37 I C 1.355 177.322 176.117 -0.250 0.000 1.063 37 I CA 0.106 61.287 61.300 -0.198 0.000 1.351 37 I CB 1.408 39.339 38.000 -0.115 0.000 1.410 37 I HN 0.728 nan 8.210 nan 0.000 0.505 38 A N 5.676 128.237 122.820 -0.432 0.000 1.935 38 A HA 0.527 4.852 4.320 0.008 0.000 0.214 38 A C 1.005 178.373 177.584 -0.361 0.000 1.178 38 A CA 1.116 52.876 52.037 -0.461 0.000 0.640 38 A CB 0.106 18.589 19.000 -0.863 0.000 0.825 38 A HN 0.769 nan 8.150 nan 0.000 0.447 39 A N -2.140 120.430 122.820 -0.416 0.000 2.601 39 A HA 0.597 4.922 4.320 0.008 0.000 0.291 39 A C -1.525 175.964 177.584 -0.157 0.000 1.075 39 A CA -0.292 51.630 52.037 -0.192 0.000 0.671 39 A CB 0.906 19.885 19.000 -0.034 0.000 1.277 39 A HN 0.640 nan 8.150 nan 0.000 0.417 40 V N 0.478 120.344 119.914 -0.080 0.000 2.733 40 V HA 0.878 5.003 4.120 0.008 0.000 0.306 40 V C 0.597 176.674 176.094 -0.028 0.000 1.084 40 V CA 0.527 62.789 62.300 -0.063 0.000 0.905 40 V CB 1.072 32.852 31.823 -0.072 0.000 1.010 40 V HN 2.576 nan 8.190 nan 0.000 0.424 41 G N 3.529 112.319 108.800 -0.016 0.000 2.247 41 G HA2 0.064 4.029 3.960 0.008 0.000 0.229 41 G HA3 0.064 4.029 3.960 0.008 0.000 0.229 41 G C -1.397 173.508 174.900 0.008 0.000 1.345 41 G CA -0.219 44.878 45.100 -0.004 0.000 1.100 41 G HN 0.720 nan 8.290 nan 0.000 0.473 42 D N 1.352 121.759 120.400 0.011 0.000 2.352 42 D HA 0.415 5.060 4.640 0.008 0.000 0.245 42 D C 1.242 177.560 176.300 0.030 0.000 1.224 42 D CA -0.183 53.826 54.000 0.015 0.000 0.879 42 D CB 0.244 41.049 40.800 0.008 0.000 1.057 42 D HN 0.376 nan 8.370 nan 0.000 0.491 43 L N 3.028 124.278 121.223 0.045 0.000 2.872 43 L HA 0.049 4.394 4.340 0.008 0.000 0.245 43 L C 2.092 178.987 176.870 0.041 0.000 1.211 43 L CA -0.187 54.699 54.840 0.076 0.000 1.013 43 L CB -0.108 42.041 42.059 0.151 0.000 1.326 43 L HN 0.306 nan 8.230 nan 0.000 0.525 44 S N 0.431 116.143 115.700 0.019 0.000 2.400 44 S HA -0.196 4.279 4.470 0.008 0.000 0.232 44 S C 1.893 176.484 174.600 -0.016 0.000 1.025 44 S CA 1.056 59.259 58.200 0.004 0.000 0.993 44 S CB -0.147 63.054 63.200 0.002 0.000 0.808 44 S HN 0.424 nan 8.310 nan 0.000 0.478 45 A N 0.712 123.519 122.820 -0.022 0.000 2.251 45 A HA 0.462 4.787 4.320 0.008 0.000 0.209 45 A C 0.955 178.485 177.584 -0.090 0.000 1.187 45 A CA -0.169 51.842 52.037 -0.044 0.000 0.823 45 A CB -0.140 18.841 19.000 -0.032 0.000 0.846 45 A HN 0.398 nan 8.150 nan 0.000 0.486 46 S N 0.492 116.120 115.700 -0.119 0.000 2.457 46 S HA 0.363 4.838 4.470 0.008 0.000 0.289 46 S C 0.296 174.701 174.600 -0.324 0.000 1.163 46 S CA -0.358 57.662 58.200 -0.300 0.000 1.078 46 S CB 1.227 64.179 63.200 -0.413 0.000 0.987 46 S HN 0.423 nan 8.310 nan 0.000 0.482 47 S N 2.686 118.177 115.700 -0.347 0.000 2.549 47 S HA 0.546 5.020 4.470 0.008 0.000 0.283 47 S C -0.108 174.328 174.600 -0.273 0.000 1.320 47 S CA -0.368 57.689 58.200 -0.239 0.000 1.058 47 S CB 0.082 63.170 63.200 -0.186 0.000 0.882 47 S HN 0.901 nan 8.310 nan 0.000 0.498 48 A N 4.526 127.284 122.820 -0.103 0.000 2.549 48 A HA 0.570 4.895 4.320 0.008 0.000 0.297 48 A C 0.525 178.133 177.584 0.040 0.000 1.061 48 A CA -0.839 51.201 52.037 0.005 0.000 0.690 48 A CB 1.144 20.198 19.000 0.090 0.000 1.287 48 A HN 0.898 nan 8.150 nan 0.000 0.402 49 R N -0.092 120.455 120.500 0.079 0.000 2.189 49 R HA 0.060 4.405 4.340 0.008 0.000 0.218 49 R C -0.035 176.317 176.300 0.087 0.000 1.074 49 R CA 0.943 57.088 56.100 0.074 0.000 0.991 49 R CB 0.072 30.424 30.300 0.087 0.000 0.883 49 R HN 0.638 nan 8.270 nan 0.000 0.457 50 R N -0.206 120.370 120.500 0.125 0.000 2.584 50 R HA 0.334 4.679 4.340 0.008 0.000 0.276 50 R C -0.989 175.395 176.300 0.140 0.000 1.046 50 R CA -0.738 55.436 56.100 0.123 0.000 0.906 50 R CB 2.277 32.661 30.300 0.140 0.000 1.215 50 R HN -0.119 nan 8.270 nan 0.000 0.449 51 R N 3.471 124.032 120.500 0.101 0.000 2.415 51 R HA 0.373 4.717 4.340 0.008 0.000 0.292 51 R C -0.777 175.573 176.300 0.083 0.000 1.295 51 R CA -0.379 55.778 56.100 0.095 0.000 1.137 51 R CB 0.582 30.920 30.300 0.063 0.000 1.135 51 R HN 0.555 nan 8.270 nan 0.000 0.560 52 I N 2.726 123.359 120.570 0.105 0.000 2.452 52 I HA 0.026 4.200 4.170 0.008 0.000 0.287 52 I C 0.297 176.448 176.117 0.057 0.000 1.079 52 I CA -0.192 61.160 61.300 0.088 0.000 1.387 52 I CB 0.803 38.873 38.000 0.116 0.000 1.404 52 I HN 0.450 nan 8.210 nan 0.000 0.522 53 D N 6.905 127.327 120.400 0.036 0.000 2.339 53 D HA 0.186 4.830 4.640 0.008 0.000 0.256 53 D C 0.381 176.659 176.300 -0.037 0.000 1.214 53 D CA -0.289 53.715 54.000 0.007 0.000 0.877 53 D CB 1.059 41.864 40.800 0.009 0.000 1.111 53 D HN 0.327 nan 8.370 nan 0.000 0.478 54 V N 1.896 121.777 119.914 -0.055 0.000 2.915 54 V HA 0.618 4.742 4.120 0.008 0.000 0.364 54 V C 0.571 176.610 176.094 -0.092 0.000 1.354 54 V CA -0.461 61.767 62.300 -0.121 0.000 1.213 54 V CB -0.299 31.456 31.823 -0.114 0.000 1.268 54 V HN 0.604 nan 8.190 nan 0.000 0.557 55 A N 0.747 123.532 122.820 -0.059 0.000 2.540 55 A HA 0.509 4.833 4.320 0.008 0.000 0.239 55 A C 1.720 179.276 177.584 -0.047 0.000 1.061 55 A CA 1.047 53.059 52.037 -0.041 0.000 0.758 55 A CB -0.485 18.502 19.000 -0.022 0.000 0.991 55 A HN 2.189 nan 8.150 nan 0.000 0.502 56 G N 1.337 110.112 108.800 -0.041 0.000 2.205 56 G HA2 -0.208 3.757 3.960 0.008 0.000 0.261 56 G HA3 -0.208 3.757 3.960 0.008 0.000 0.261 56 G C 0.325 175.190 174.900 -0.058 0.000 0.980 56 G CA 0.769 45.848 45.100 -0.035 0.000 0.632 56 G HN 0.783 nan 8.290 nan 0.000 0.533 57 K N -0.241 120.103 120.400 -0.093 0.000 2.211 57 K HA 0.790 5.115 4.320 0.008 0.000 0.237 57 K C -0.131 176.345 176.600 -0.208 0.000 1.002 57 K CA -0.827 55.372 56.287 -0.146 0.000 0.885 57 K CB 2.124 34.533 32.500 -0.152 0.000 1.136 57 K HN 0.140 nan 8.250 nan 0.000 0.448 58 V N 1.285 120.966 119.914 -0.388 0.000 2.513 58 V HA 0.296 4.421 4.120 0.008 0.000 0.299 58 V C -0.553 175.353 176.094 -0.313 0.000 1.035 58 V CA -0.925 61.110 62.300 -0.442 0.000 0.889 58 V CB 1.993 33.303 31.823 -0.856 0.000 0.988 58 V HN 0.373 nan 8.190 nan 0.000 0.440 59 V N 4.861 124.702 119.914 -0.122 0.000 2.357 59 V HA 0.662 4.787 4.120 0.008 0.000 0.284 59 V C 0.176 176.306 176.094 0.059 0.000 1.018 59 V CA -0.139 62.157 62.300 -0.006 0.000 0.841 59 V CB 1.501 33.321 31.823 -0.006 0.000 0.991 59 V HN 1.030 nan 8.190 nan 0.000 0.437 60 S N 5.779 121.576 115.700 0.161 0.000 2.704 60 S HA 0.830 5.305 4.470 0.008 0.000 0.296 60 S C -3.158 171.539 174.600 0.163 0.000 1.138 60 S CA -1.968 56.368 58.200 0.226 0.000 0.875 60 S CB 2.550 66.035 63.200 0.475 0.000 1.151 60 S HN 0.397 nan 8.310 nan 0.000 0.500 61 P HA 0.328 nan 4.420 nan 0.000 0.274 61 P C 0.146 177.468 177.300 0.036 0.000 1.237 61 P CA -0.024 63.146 63.100 0.117 0.000 0.793 61 P CB 0.045 31.835 31.700 0.150 0.000 0.977 62 G N 0.937 109.720 108.800 -0.028 0.000 2.491 62 G HA2 0.251 4.216 3.960 0.008 0.000 0.238 62 G HA3 0.251 4.216 3.960 0.008 0.000 0.238 62 G C -0.674 174.151 174.900 -0.124 0.000 1.277 62 G CA -0.242 44.738 45.100 -0.200 0.000 0.851 62 G HN 0.212 nan 8.290 nan 0.000 0.573 63 F N 0.344 120.199 119.950 -0.157 0.000 2.443 63 F HA 0.368 4.901 4.527 0.010 0.000 0.353 63 F C 0.899 176.483 175.800 -0.360 0.000 1.101 63 F CA -1.214 56.604 58.000 -0.303 0.000 1.226 63 F CB 0.766 39.420 39.000 -0.576 0.000 1.140 63 F HN 0.138 nan 8.300 nan 0.000 0.557 64 I N 2.924 123.448 120.570 -0.076 0.000 2.330 64 I HA 0.132 4.307 4.170 0.008 0.000 0.289 64 I C -0.179 175.865 176.117 -0.122 0.000 1.001 64 I CA -0.661 60.571 61.300 -0.114 0.000 1.193 64 I CB 1.053 39.029 38.000 -0.040 0.000 1.345 64 I HN 0.394 nan 8.210 nan 0.000 0.461 65 D N 4.763 125.068 120.400 -0.158 0.000 2.374 65 D HA 0.032 4.676 4.640 0.008 0.000 0.240 65 D C 1.338 177.630 176.300 -0.012 0.000 1.229 65 D CA 0.058 54.095 54.000 0.062 0.000 0.895 65 D CB 1.101 41.931 40.800 0.050 0.000 1.046 65 D HN 0.607 nan 8.370 nan 0.000 0.498 66 S N 3.039 118.776 115.700 0.063 0.000 2.474 66 S HA -0.171 4.303 4.470 0.008 0.000 0.235 66 S C 0.773 175.361 174.600 -0.021 0.000 0.997 66 S CA 0.605 58.773 58.200 -0.054 0.000 0.949 66 S CB -0.143 63.191 63.200 0.224 0.000 0.766 66 S HN 0.632 nan 8.310 nan 0.000 0.517 67 H N 0.982 120.029 119.070 -0.038 0.000 3.108 67 H HA 0.485 5.046 4.556 0.009 0.000 0.301 67 H C -0.416 174.829 175.328 -0.138 0.000 1.139 67 H CA 0.094 56.098 56.048 -0.073 0.000 1.552 67 H CB 1.010 30.787 29.762 0.026 0.000 1.663 67 H HN 0.337 nan 8.280 nan 0.000 0.517 68 T N 0.713 115.035 114.554 -0.387 0.000 2.907 68 T HA 0.314 4.668 4.350 0.008 0.000 0.290 68 T C -0.317 174.035 174.700 -0.579 0.000 1.066 68 T CA -0.850 61.049 62.100 -0.335 0.000 1.012 68 T CB 1.719 70.475 68.868 -0.187 0.000 1.184 68 T HN 0.644 nan 8.240 nan 0.000 0.522 69 H N 0.676 119.693 119.070 -0.087 0.000 2.591 69 H HA 0.295 4.856 4.556 0.008 0.000 0.241 69 H C -0.428 174.885 175.328 -0.025 0.000 1.292 69 H CA -0.440 55.578 56.048 -0.050 0.000 1.022 69 H CB 0.289 30.048 29.762 -0.006 0.000 1.875 69 H HN 0.628 nan 8.280 nan 0.000 0.570 70 D N 0.236 120.641 120.400 0.009 0.000 2.328 70 D HA -0.027 4.617 4.640 0.008 0.000 0.221 70 D C 0.991 177.357 176.300 0.110 0.000 1.072 70 D CA 0.074 54.098 54.000 0.041 0.000 0.850 70 D CB 0.358 41.143 40.800 -0.025 0.000 0.922 70 D HN 0.340 nan 8.370 nan 0.000 0.516 71 D N 0.869 121.318 120.400 0.081 0.000 2.204 71 D HA -0.233 4.412 4.640 0.008 0.000 0.189 71 D C 1.727 178.102 176.300 0.126 0.000 1.006 71 D CA 1.296 55.327 54.000 0.053 0.000 0.855 71 D CB -0.132 40.598 40.800 -0.117 0.000 0.946 71 D HN 0.133 nan 8.370 nan 0.000 0.448 72 N N -1.543 117.239 118.700 0.138 0.000 2.368 72 N HA -0.096 4.649 4.740 0.008 0.000 0.176 72 N C 1.459 177.125 175.510 0.260 0.000 1.021 72 N CA 0.338 53.484 53.050 0.160 0.000 0.888 72 N CB -0.227 38.283 38.487 0.038 0.000 0.995 72 N HN 0.151 nan 8.380 nan 0.000 0.437 73 Y N 1.035 121.454 120.300 0.199 0.000 2.256 73 Y HA -0.050 4.506 4.550 0.009 0.000 0.288 73 Y C 1.796 177.721 175.900 0.042 0.000 1.155 73 Y CA 1.332 59.494 58.100 0.103 0.000 1.203 73 Y CB -0.151 38.237 38.460 -0.119 0.000 0.980 73 Y HN 0.086 nan 8.280 nan 0.000 0.530 74 L N -0.932 120.359 121.223 0.114 0.000 2.191 74 L HA -0.259 4.086 4.340 0.008 0.000 0.212 74 L C 2.097 178.923 176.870 -0.073 0.000 1.103 74 L CA 1.101 55.943 54.840 0.003 0.000 0.769 74 L CB -0.469 41.585 42.059 -0.007 0.000 0.908 74 L HN 0.279 nan 8.230 nan 0.000 0.438 75 L N -1.115 120.075 121.223 -0.054 0.000 2.168 75 L HA -0.050 4.295 4.340 0.008 0.000 0.203 75 L C 2.451 179.222 176.870 -0.165 0.000 1.078 75 L CA 0.641 55.429 54.840 -0.087 0.000 0.780 75 L CB -0.323 41.737 42.059 0.002 0.000 0.939 75 L HN 0.100 nan 8.230 nan 0.000 0.451 76 K N -0.969 119.290 120.400 -0.235 0.000 2.305 76 K HA 0.094 4.419 4.320 0.008 0.000 0.199 76 K C 0.195 176.244 176.600 -0.918 0.000 1.047 76 K CA 0.803 56.791 56.287 -0.499 0.000 0.976 76 K CB 0.144 32.365 32.500 -0.465 0.000 0.765 76 K HN 0.340 nan 8.250 nan 0.000 0.474 77 H N 0.325 119.132 119.070 -0.439 0.000 2.429 77 H HA 0.283 4.844 4.556 0.008 0.000 0.231 77 H C 0.514 175.630 175.328 -0.354 0.000 1.416 77 H CA -0.194 55.556 56.048 -0.497 0.000 1.443 77 H CB 0.566 29.710 29.762 -1.030 0.000 1.591 77 H HN -0.016 nan 8.280 nan 0.000 0.507 78 R N 0.597 121.006 120.500 -0.153 0.000 2.211 78 R HA -0.134 4.211 4.340 0.008 0.000 0.240 78 R C 1.527 177.710 176.300 -0.196 0.000 1.144 78 R CA 1.682 57.733 56.100 -0.081 0.000 0.992 78 R CB 0.094 30.409 30.300 0.026 0.000 0.869 78 R HN 0.579 nan 8.270 nan 0.000 0.462 79 D N 0.506 120.682 120.400 -0.374 0.000 2.218 79 D HA -0.197 4.448 4.640 0.008 0.000 0.204 79 D C 0.714 176.654 176.300 -0.600 0.000 0.976 79 D CA 0.569 53.969 54.000 -0.999 0.000 0.853 79 D CB -0.052 40.346 40.800 -0.670 0.000 0.939 79 D HN 0.037 nan 8.370 nan 0.000 0.481 80 M N 0.801 120.258 119.600 -0.239 0.000 2.393 80 M HA -0.180 4.305 4.480 0.008 0.000 0.201 80 M C 0.795 176.970 176.300 -0.209 0.000 0.403 80 M CA 0.637 55.872 55.300 -0.108 0.000 0.471 80 M CB -2.895 29.623 32.600 -0.137 0.000 1.669 80 M HN 0.085 nan 8.290 nan 0.000 0.864 81 T N -0.003 114.449 114.554 -0.170 0.000 2.699 81 T HA -0.138 4.217 4.350 0.008 0.000 0.268 81 T C -0.729 173.628 174.700 -0.573 0.000 1.036 81 T CA 2.026 64.009 62.100 -0.195 0.000 1.147 81 T CB -0.644 68.295 68.868 0.118 0.000 0.862 81 T HN 0.391 nan 8.240 nan 0.000 0.446 82 P HA -0.068 nan 4.420 nan 0.000 0.218 82 P C 1.496 178.260 177.300 -0.893 0.000 1.148 82 P CA 1.145 63.206 63.100 -1.732 0.000 0.822 82 P CB 0.071 30.781 31.700 -1.650 0.000 0.784 83 K N -0.567 119.490 120.400 -0.570 0.000 2.190 83 K HA 0.139 4.464 4.320 0.008 0.000 0.202 83 K C 2.115 178.503 176.600 -0.354 0.000 1.045 83 K CA 0.838 56.905 56.287 -0.367 0.000 0.976 83 K CB -1.055 31.277 32.500 -0.279 0.000 0.849 83 K HN 0.273 nan 8.250 nan 0.000 0.468 84 I N 0.403 120.747 120.570 -0.377 0.000 2.493 84 I HA -0.155 4.020 4.170 0.008 0.000 0.254 84 I C 1.937 177.619 176.117 -0.725 0.000 1.160 84 I CA 1.526 62.598 61.300 -0.380 0.000 1.445 84 I CB -0.629 37.259 38.000 -0.186 0.000 1.086 84 I HN -0.056 nan 8.210 nan 0.000 0.433 85 S N 0.534 115.635 115.700 -0.998 0.000 2.515 85 S HA -0.090 4.385 4.470 0.008 0.000 0.231 85 S C 1.735 175.989 174.600 -0.576 0.000 0.987 85 S CA 0.629 57.989 58.200 -1.400 0.000 0.936 85 S CB -0.417 62.216 63.200 -0.945 0.000 0.766 85 S HN 0.702 nan 8.310 nan 0.000 0.528 86 Q N 0.166 119.773 119.800 -0.323 0.000 2.319 86 Q HA 0.354 4.699 4.340 0.008 0.000 0.209 86 Q C 1.156 177.193 176.000 0.061 0.000 0.884 86 Q CA 0.270 56.057 55.803 -0.026 0.000 0.938 86 Q CB 0.628 29.438 28.738 0.120 0.000 1.098 86 Q HN 0.741 nan 8.270 nan 0.000 0.517 87 G N 0.709 109.412 108.800 -0.162 0.000 2.159 87 G HA2 -0.213 3.752 3.960 0.008 0.000 0.227 87 G HA3 -0.213 3.752 3.960 0.008 0.000 0.227 87 G C 0.082 174.719 174.900 -0.438 0.000 0.986 87 G CA -0.203 44.701 45.100 -0.326 0.000 0.651 87 G HN 0.176 nan 8.290 nan 0.000 0.523 88 V N 1.798 121.540 119.914 -0.286 0.000 2.555 88 V HA 0.499 4.624 4.120 0.008 0.000 0.286 88 V C 1.613 177.558 176.094 -0.248 0.000 1.044 88 V CA 1.216 63.322 62.300 -0.324 0.000 1.026 88 V CB 1.289 32.899 31.823 -0.354 0.000 0.981 88 V HN 0.716 nan 8.190 nan 0.000 0.480 89 T N -0.345 114.084 114.554 -0.209 0.000 2.975 89 T HA 0.196 4.551 4.350 0.008 0.000 0.257 89 T C 0.532 175.162 174.700 -0.117 0.000 1.003 89 T CA 0.010 62.030 62.100 -0.135 0.000 0.932 89 T CB 0.442 69.253 68.868 -0.095 0.000 1.087 89 T HN 0.567 nan 8.240 nan 0.000 0.512 90 T N 2.218 116.688 114.554 -0.139 0.000 2.952 90 T HA 0.646 5.001 4.350 0.008 0.000 0.305 90 T C -1.139 173.468 174.700 -0.156 0.000 1.064 90 T CA -0.672 61.349 62.100 -0.131 0.000 1.008 90 T CB 2.277 71.078 68.868 -0.112 0.000 1.078 90 T HN 0.449 nan 8.240 nan 0.000 0.459 91 V N 0.284 120.108 119.914 -0.151 0.000 2.735 91 V HA 0.888 5.013 4.120 0.008 0.000 0.310 91 V C -0.594 175.385 176.094 -0.192 0.000 1.061 91 V CA -0.908 61.295 62.300 -0.163 0.000 0.913 91 V CB 1.762 33.504 31.823 -0.134 0.000 1.005 91 V HN 0.626 nan 8.190 nan 0.000 0.428 92 V N 4.580 124.337 119.914 -0.262 0.000 2.364 92 V HA 0.582 4.707 4.120 0.008 0.000 0.272 92 V C 0.851 176.792 176.094 -0.254 0.000 1.036 92 V CA 0.528 62.628 62.300 -0.333 0.000 0.880 92 V CB 1.226 32.668 31.823 -0.634 0.000 0.991 92 V HN 1.243 nan 8.190 nan 0.000 0.460 93 T N 0.900 115.358 114.554 -0.160 0.000 2.922 93 T HA 0.685 5.040 4.350 0.008 0.000 0.281 93 T C 0.746 175.391 174.700 -0.092 0.000 1.005 93 T CA -0.038 61.988 62.100 -0.124 0.000 0.982 93 T CB 1.606 70.457 68.868 -0.028 0.000 1.158 93 T HN 1.818 nan 8.240 nan 0.000 0.566 94 G N 1.206 109.968 108.800 -0.064 0.000 2.324 94 G HA2 -0.200 3.765 3.960 0.008 0.000 0.292 94 G HA3 -0.200 3.765 3.960 0.008 0.000 0.292 94 G C -0.386 174.496 174.900 -0.030 0.000 1.079 94 G CA -0.076 45.022 45.100 -0.003 0.000 1.026 94 G HN 1.011 nan 8.290 nan 0.000 0.506 95 N N -1.519 117.115 118.700 -0.110 0.000 2.482 95 N HA 0.587 5.331 4.740 0.008 0.000 0.279 95 N C 1.213 176.824 175.510 0.167 0.000 1.182 95 N CA 0.070 53.042 53.050 -0.130 0.000 0.969 95 N CB 0.998 39.054 38.487 -0.717 0.000 1.201 95 N HN 0.629 nan 8.380 nan 0.000 0.523 96 C N 0.703 120.136 119.300 0.223 0.000 4.331 96 C HA -0.107 4.358 4.460 0.008 0.000 0.293 96 C C 1.455 176.599 174.990 0.256 0.000 1.436 96 C CA 0.662 59.880 59.018 0.333 0.000 1.993 96 C CB -2.625 25.411 27.740 0.494 0.000 1.266 96 C HN 1.199 nan 8.230 nan 0.000 0.795 97 G N -0.717 108.190 108.800 0.179 0.000 2.162 97 G HA2 -0.291 3.673 3.960 0.008 0.000 0.260 97 G HA3 -0.291 3.673 3.960 0.008 0.000 0.260 97 G C -0.148 174.833 174.900 0.136 0.000 0.976 97 G CA 0.390 45.595 45.100 0.175 0.000 0.655 97 G HN 0.890 nan 8.290 nan 0.000 0.533 98 I N 2.388 123.039 120.570 0.135 0.000 2.330 98 I HA 0.499 4.674 4.170 0.008 0.000 0.286 98 I C 0.483 176.677 176.117 0.129 0.000 1.025 98 I CA -0.180 61.192 61.300 0.119 0.000 1.197 98 I CB 1.437 39.487 38.000 0.084 0.000 1.358 98 I HN 0.284 nan 8.210 nan 0.000 0.467 99 S N 5.112 120.885 115.700 0.122 0.000 2.568 99 S HA 0.446 4.921 4.470 0.008 0.000 0.293 99 S C 0.286 174.895 174.600 0.015 0.000 1.089 99 S CA -0.847 57.389 58.200 0.059 0.000 0.945 99 S CB 2.386 65.654 63.200 0.113 0.000 1.077 99 S HN 0.508 nan 8.310 nan 0.000 0.485 100 L N 1.468 122.529 121.223 -0.270 0.000 2.093 100 L HA 0.376 4.721 4.340 0.008 0.000 0.208 100 L C 0.839 177.539 176.870 -0.284 0.000 1.085 100 L CA 1.992 56.522 54.840 -0.517 0.000 0.755 100 L CB -0.916 40.704 42.059 -0.732 0.000 0.904 100 L HN 0.987 nan 8.230 nan 0.000 0.435 101 A N -0.585 122.066 122.820 -0.283 0.000 2.384 101 A HA 0.779 5.104 4.320 0.008 0.000 0.312 101 A C -2.646 175.089 177.584 0.251 0.000 1.113 101 A CA -1.396 50.630 52.037 -0.019 0.000 0.779 101 A CB 0.995 19.860 19.000 -0.225 0.000 1.307 101 A HN 0.071 nan 8.150 nan 0.000 0.436 102 P HA 0.555 nan 4.420 nan 0.000 0.301 102 P C -1.428 175.997 177.300 0.208 0.000 1.348 102 P CA -0.219 63.020 63.100 0.232 0.000 0.826 102 P CB 1.203 33.040 31.700 0.228 0.000 0.945 103 L N 3.134 124.499 121.223 0.237 0.000 2.847 103 L HA 0.577 4.922 4.340 0.008 0.000 0.261 103 L C -1.646 175.379 176.870 0.260 0.000 0.926 103 L CA -0.468 54.518 54.840 0.243 0.000 1.010 103 L CB 1.485 43.718 42.059 0.290 0.000 1.538 103 L HN 0.420 nan 8.230 nan 0.000 0.465 104 A N 3.849 126.770 122.820 0.167 0.000 2.322 104 A HA 0.725 5.050 4.320 0.008 0.000 0.327 104 A C -1.124 176.532 177.584 0.119 0.000 1.394 104 A CA -0.216 51.893 52.037 0.120 0.000 0.921 104 A CB -0.044 18.982 19.000 0.044 0.000 1.153 104 A HN 0.724 nan 8.150 nan 0.000 0.523 105 H N 1.932 121.032 119.070 0.050 0.000 2.947 105 H HA 0.551 5.112 4.556 0.008 0.000 0.354 105 H C 0.337 175.648 175.328 -0.028 0.000 1.085 105 H CA 0.079 56.111 56.048 -0.028 0.000 1.253 105 H CB 2.203 31.895 29.762 -0.116 0.000 1.757 105 H HN 0.490 nan 8.280 nan 0.000 0.523 106 A N 3.433 126.405 122.820 0.254 0.000 2.072 106 A HA 0.039 4.364 4.320 0.008 0.000 0.216 106 A C 0.331 178.007 177.584 0.153 0.000 1.156 106 A CA 0.453 52.582 52.037 0.154 0.000 0.701 106 A CB 0.174 19.208 19.000 0.057 0.000 0.816 106 A HN 0.620 nan 8.150 nan 0.000 0.458 107 N N 0.699 119.578 118.700 0.298 0.000 2.711 107 N HA 0.206 4.951 4.740 0.008 0.000 0.263 107 N C -3.237 171.946 175.510 -0.545 0.000 1.667 107 N CA -0.804 52.223 53.050 -0.038 0.000 0.785 107 N CB 1.184 39.707 38.487 0.061 0.000 1.231 107 N HN 0.249 nan 8.380 nan 0.000 0.503 108 P HA 0.130 nan 4.420 nan 0.000 0.268 108 P C -2.525 174.439 177.300 -0.559 0.000 1.205 108 P CA -0.569 61.935 63.100 -0.994 0.000 0.771 108 P CB 0.252 31.223 31.700 -1.215 0.000 0.858 109 P HA 0.112 nan 4.420 nan 0.000 0.275 109 P C -0.189 177.014 177.300 -0.161 0.000 1.228 109 P CA -0.149 62.818 63.100 -0.221 0.000 0.786 109 P CB 0.537 32.141 31.700 -0.160 0.000 0.927 110 A N 5.133 127.906 122.820 -0.078 0.000 2.520 110 A HA 0.212 4.536 4.320 0.008 0.000 0.235 110 A C -1.271 176.283 177.584 -0.050 0.000 1.065 110 A CA -0.827 51.190 52.037 -0.032 0.000 0.764 110 A CB -0.865 18.148 19.000 0.022 0.000 1.002 110 A HN 0.487 nan 8.150 nan 0.000 0.502 111 P HA 0.083 nan 4.420 nan 0.000 0.256 111 P C 0.653 177.892 177.300 -0.103 0.000 1.384 111 P CA 0.004 63.023 63.100 -0.136 0.000 0.879 111 P CB 0.178 31.641 31.700 -0.395 0.000 1.403 112 L N 1.608 122.769 121.223 -0.103 0.000 2.191 112 L HA -0.150 4.195 4.340 0.008 0.000 0.212 112 L C 1.988 178.851 176.870 -0.012 0.000 1.103 112 L CA 1.890 56.690 54.840 -0.066 0.000 0.769 112 L CB -1.413 40.497 42.059 -0.249 0.000 0.908 112 L HN 0.088 nan 8.230 nan 0.000 0.438 113 D N -0.861 119.499 120.400 -0.067 0.000 2.384 113 D HA -0.205 4.440 4.640 0.008 0.000 0.222 113 D C 1.959 178.238 176.300 -0.035 0.000 0.976 113 D CA 0.723 54.702 54.000 -0.035 0.000 0.915 113 D CB -0.544 40.259 40.800 0.004 0.000 0.896 113 D HN 0.331 nan 8.370 nan 0.000 0.523 114 L N -0.513 120.724 121.223 0.024 0.000 2.362 114 L HA -0.008 4.337 4.340 0.008 0.000 0.219 114 L C 2.101 178.968 176.870 -0.005 0.000 1.134 114 L CA 0.594 55.438 54.840 0.007 0.000 0.807 114 L CB -0.170 41.894 42.059 0.007 0.000 0.927 114 L HN 0.086 nan 8.230 nan 0.000 0.447 115 L N -1.827 119.408 121.223 0.021 0.000 2.554 115 L HA 0.142 4.486 4.340 0.008 0.000 0.225 115 L C 0.410 177.090 176.870 -0.317 0.000 1.104 115 L CA -0.217 54.587 54.840 -0.060 0.000 0.866 115 L CB -0.039 42.029 42.059 0.015 0.000 1.047 115 L HN 0.046 nan 8.230 nan 0.000 0.468 116 D N 0.947 121.276 120.400 -0.117 0.000 2.304 116 D HA 0.058 4.703 4.640 0.008 0.000 0.250 116 D C 0.425 176.555 176.300 -0.283 0.000 1.107 116 D CA 0.365 54.309 54.000 -0.093 0.000 0.885 116 D CB 1.479 42.333 40.800 0.091 0.000 1.192 116 D HN 0.054 nan 8.370 nan 0.000 0.436 117 E N 0.814 120.885 120.200 -0.216 0.000 2.562 117 E HA 0.322 4.676 4.350 0.008 0.000 0.214 117 E C -0.220 176.334 176.600 -0.077 0.000 0.979 117 E CA -0.338 55.972 56.400 -0.150 0.000 1.002 117 E CB 0.564 30.210 29.700 -0.090 0.000 1.048 117 E HN 0.651 nan 8.360 nan 0.000 0.488 118 G N -0.259 108.507 108.800 -0.057 0.000 2.949 118 G HA2 0.110 4.075 3.960 0.008 0.000 0.658 118 G HA3 0.110 4.075 3.960 0.008 0.000 0.658 118 G C 0.459 175.351 174.900 -0.013 0.000 1.194 118 G CA -0.385 44.698 45.100 -0.028 0.000 1.204 118 G HN 0.424 nan 8.290 nan 0.000 0.524 119 G N 0.477 109.288 108.800 0.019 0.000 2.198 119 G HA2 -0.115 3.850 3.960 0.008 0.000 0.260 119 G HA3 -0.115 3.850 3.960 0.008 0.000 0.260 119 G C 1.474 176.378 174.900 0.005 0.000 1.025 119 G CA 1.044 46.156 45.100 0.020 0.000 0.769 119 G HN 1.776 nan 8.290 nan 0.000 0.507 120 S N -0.809 114.912 115.700 0.035 0.000 2.406 120 S HA 0.159 4.634 4.470 0.008 0.000 0.228 120 S C 0.888 175.422 174.600 -0.110 0.000 1.020 120 S CA 0.374 58.538 58.200 -0.059 0.000 0.965 120 S CB -0.063 63.060 63.200 -0.128 0.000 0.798 120 S HN 0.389 nan 8.310 nan 0.000 0.488 121 F N 3.080 122.999 119.950 -0.051 0.000 2.619 121 F HA 0.233 4.764 4.527 0.008 0.000 0.350 121 F C 1.504 177.256 175.800 -0.079 0.000 1.259 121 F CA -0.477 57.514 58.000 -0.016 0.000 1.204 121 F CB -0.121 38.886 39.000 0.012 0.000 1.556 121 F HN 0.144 nan 8.300 nan 0.000 0.650 122 R N 0.014 120.409 120.500 -0.175 0.000 2.476 122 R HA 0.233 4.578 4.340 0.008 0.000 0.276 122 R C -0.826 175.219 176.300 -0.425 0.000 0.941 122 R CA -0.178 55.730 56.100 -0.321 0.000 1.088 122 R CB -0.075 29.945 30.300 -0.467 0.000 1.216 122 R HN 0.168 nan 8.270 nan 0.000 0.533 123 F N 1.527 121.487 119.950 0.016 0.000 2.350 123 F HA 0.457 4.989 4.527 0.008 0.000 0.365 123 F C 1.349 177.177 175.800 0.046 0.000 1.122 123 F CA -0.806 57.204 58.000 0.017 0.000 1.139 123 F CB 1.667 40.663 39.000 -0.007 0.000 1.220 123 F HN 0.072 nan 8.300 nan 0.000 0.499 124 A N 4.257 127.179 122.820 0.170 0.000 1.969 124 A HA 0.043 4.368 4.320 0.008 0.000 0.218 124 A C 1.134 178.813 177.584 0.158 0.000 1.169 124 A CA 0.881 52.998 52.037 0.134 0.000 0.635 124 A CB -0.067 18.983 19.000 0.083 0.000 0.810 124 A HN 0.659 nan 8.150 nan 0.000 0.445 125 R N -2.921 117.689 120.500 0.184 0.000 2.740 125 R HA 0.482 4.826 4.340 0.008 0.000 0.282 125 R C 0.063 176.488 176.300 0.208 0.000 0.969 125 R CA -0.740 55.469 56.100 0.182 0.000 0.918 125 R CB 0.945 31.329 30.300 0.141 0.000 1.175 125 R HN 0.196 nan 8.270 nan 0.000 0.464 126 F N 1.540 121.535 119.950 0.076 0.000 2.171 126 F HA -0.234 4.298 4.527 0.008 0.000 0.300 126 F C 2.288 178.124 175.800 0.060 0.000 1.090 126 F CA 2.288 60.325 58.000 0.061 0.000 1.293 126 F CB 0.124 39.143 39.000 0.032 0.000 1.013 126 F HN 0.621 nan 8.300 nan 0.000 0.486 127 S N -0.668 115.140 115.700 0.181 0.000 2.399 127 S HA -0.213 4.262 4.470 0.008 0.000 0.231 127 S C 1.736 176.326 174.600 -0.017 0.000 1.022 127 S CA 1.404 59.650 58.200 0.075 0.000 0.983 127 S CB -0.706 62.546 63.200 0.087 0.000 0.803 127 S HN 0.410 nan 8.310 nan 0.000 0.480 128 D N 0.540 120.961 120.400 0.035 0.000 2.144 128 D HA -0.095 4.550 4.640 0.008 0.000 0.199 128 D C 1.631 177.859 176.300 -0.120 0.000 0.984 128 D CA 1.337 55.385 54.000 0.080 0.000 0.834 128 D CB -0.474 40.496 40.800 0.282 0.000 0.955 128 D HN 0.598 nan 8.370 nan 0.000 0.465 129 Y N 1.696 121.653 120.300 -0.572 0.000 2.163 129 Y HA -0.121 4.433 4.550 0.008 0.000 0.288 129 Y C 2.229 177.695 175.900 -0.722 0.000 1.136 129 Y CA 1.216 58.600 58.100 -1.195 0.000 1.147 129 Y CB -0.521 37.188 38.460 -1.253 0.000 0.987 129 Y HN -0.124 nan 8.280 nan 0.000 0.509 130 L N 0.002 120.823 121.223 -0.670 0.000 2.083 130 L HA -0.202 4.143 4.340 0.008 0.000 0.209 130 L C 2.327 178.965 176.870 -0.387 0.000 1.083 130 L CA 1.767 56.283 54.840 -0.541 0.000 0.752 130 L CB -0.594 41.326 42.059 -0.231 0.000 0.899 130 L HN 0.279 nan 8.230 nan 0.000 0.433 131 E N 0.233 120.273 120.200 -0.266 0.000 2.110 131 E HA -0.207 4.148 4.350 0.008 0.000 0.193 131 E C 2.321 178.807 176.600 -0.191 0.000 0.988 131 E CA 1.144 57.444 56.400 -0.167 0.000 0.804 131 E CB -0.154 29.496 29.700 -0.083 0.000 0.745 131 E HN 0.494 nan 8.360 nan 0.000 0.458 132 A N 0.988 123.656 122.820 -0.253 0.000 1.902 132 A HA -0.160 4.165 4.320 0.008 0.000 0.217 132 A C 2.159 179.580 177.584 -0.271 0.000 1.181 132 A CA 1.040 52.955 52.037 -0.203 0.000 0.623 132 A CB -0.560 18.346 19.000 -0.157 0.000 0.818 132 A HN 0.135 nan 8.150 nan 0.000 0.443 133 L N -1.074 119.890 121.223 -0.432 0.000 2.056 133 L HA -0.172 4.173 4.340 0.008 0.000 0.207 133 L C 2.865 179.593 176.870 -0.236 0.000 1.078 133 L CA 1.381 55.997 54.840 -0.373 0.000 0.749 133 L CB -0.474 41.283 42.059 -0.503 0.000 0.901 133 L HN 0.357 nan 8.230 nan 0.000 0.433 134 R N -0.030 120.341 120.500 -0.215 0.000 2.092 134 R HA -0.099 4.246 4.340 0.008 0.000 0.231 134 R C 2.351 178.585 176.300 -0.109 0.000 1.119 134 R CA 1.244 57.260 56.100 -0.140 0.000 0.970 134 R CB -0.444 29.785 30.300 -0.119 0.000 0.864 134 R HN 0.335 nan 8.270 nan 0.000 0.440 135 A N 1.000 123.751 122.820 -0.114 0.000 1.968 135 A HA 0.119 4.443 4.320 0.008 0.000 0.217 135 A C 1.310 178.835 177.584 -0.098 0.000 1.169 135 A CA 1.322 53.306 52.037 -0.089 0.000 0.638 135 A CB 0.169 19.123 19.000 -0.077 0.000 0.812 135 A HN 0.297 nan 8.150 nan 0.000 0.446 136 A N 0.383 123.128 122.820 -0.126 0.000 3.216 136 A HA 0.560 4.884 4.320 0.008 0.000 0.321 136 A C -2.831 174.656 177.584 -0.161 0.000 1.042 136 A CA -1.368 50.575 52.037 -0.157 0.000 0.838 136 A CB 0.262 19.166 19.000 -0.159 0.000 1.136 136 A HN 0.216 nan 8.150 nan 0.000 0.483 137 P HA 0.153 nan 4.420 nan 0.000 0.265 137 P C -2.698 174.601 177.300 -0.001 0.000 1.187 137 P CA -0.339 62.723 63.100 -0.064 0.000 0.766 137 P CB 0.696 32.387 31.700 -0.016 0.000 0.820 138 P HA 0.125 nan 4.420 nan 0.000 0.282 138 P C 0.376 177.718 177.300 0.070 0.000 1.287 138 P CA -0.314 62.803 63.100 0.028 0.000 0.792 138 P CB 0.633 32.305 31.700 -0.047 0.000 1.163 139 A N -0.069 122.753 122.820 0.004 0.000 2.066 139 A HA 0.113 4.438 4.320 0.008 0.000 0.218 139 A C 1.203 178.785 177.584 -0.003 0.000 1.157 139 A CA 1.263 53.310 52.037 0.017 0.000 0.670 139 A CB -1.035 17.898 19.000 -0.113 0.000 0.804 139 A HN 0.479 nan 8.150 nan 0.000 0.453 140 V N -3.085 116.800 119.914 -0.048 0.000 2.994 140 V HA 0.497 4.622 4.120 0.008 0.000 0.318 140 V C -0.565 175.486 176.094 -0.073 0.000 1.085 140 V CA -1.646 60.614 62.300 -0.067 0.000 0.998 140 V CB 1.148 32.910 31.823 -0.102 0.000 1.063 140 V HN 0.234 nan 8.190 nan 0.000 0.447 141 N N 1.089 119.736 118.700 -0.088 0.000 2.467 141 N HA 0.630 5.375 4.740 0.008 0.000 0.262 141 N C -0.309 175.138 175.510 -0.105 0.000 1.234 141 N CA 0.299 53.287 53.050 -0.103 0.000 0.952 141 N CB 1.585 39.999 38.487 -0.122 0.000 1.158 141 N HN 1.196 nan 8.380 nan 0.000 0.463 142 A N 0.069 122.827 122.820 -0.104 0.000 2.359 142 A HA 0.696 5.021 4.320 0.008 0.000 0.303 142 A C -0.912 176.626 177.584 -0.077 0.000 1.066 142 A CA -0.748 51.233 52.037 -0.093 0.000 0.730 142 A CB 1.007 19.954 19.000 -0.089 0.000 1.211 142 A HN 0.630 nan 8.150 nan 0.000 0.439 143 A N 1.731 124.502 122.820 -0.083 0.000 2.277 143 A HA 0.578 4.902 4.320 0.008 0.000 0.318 143 A C -0.308 177.260 177.584 -0.027 0.000 1.339 143 A CA -0.337 51.665 52.037 -0.058 0.000 0.875 143 A CB -0.215 18.720 19.000 -0.108 0.000 1.158 143 A HN 0.979 nan 8.150 nan 0.000 0.514 144 C N 3.351 122.691 119.300 0.067 0.000 2.319 144 C HA 0.705 5.170 4.460 0.008 0.000 0.335 144 C C 0.487 175.589 174.990 0.186 0.000 1.274 144 C CA -0.546 58.574 59.018 0.169 0.000 1.806 144 C CB -0.052 27.889 27.740 0.336 0.000 2.329 144 C HN 0.846 nan 8.230 nan 0.000 0.524 145 M N 2.086 121.765 119.600 0.132 0.000 2.644 145 M HA 0.548 5.033 4.480 0.008 0.000 0.316 145 M C -0.379 175.950 176.300 0.049 0.000 1.200 145 M CA -0.592 54.734 55.300 0.043 0.000 0.944 145 M CB 1.855 34.467 32.600 0.020 0.000 1.691 145 M HN 0.511 nan 8.290 nan 0.000 0.471 146 V N 1.022 120.859 119.914 -0.129 0.000 2.532 146 V HA 0.791 4.916 4.120 0.008 0.000 0.295 146 V C -0.139 175.962 176.094 0.011 0.000 1.041 146 V CA -0.230 62.004 62.300 -0.110 0.000 0.926 146 V CB 1.649 33.230 31.823 -0.403 0.000 0.992 146 V HN 0.920 nan 8.190 nan 0.000 0.457 147 G N 3.431 112.277 108.800 0.078 0.000 2.332 147 G HA2 0.249 4.213 3.960 0.008 0.000 0.310 147 G HA3 0.249 4.213 3.960 0.008 0.000 0.310 147 G C 0.589 175.567 174.900 0.131 0.000 1.123 147 G CA -0.009 45.154 45.100 0.105 0.000 0.873 147 G HN 1.040 nan 8.290 nan 0.000 0.460 148 H N 1.938 121.050 119.070 0.070 0.000 2.387 148 H HA -0.135 4.426 4.556 0.008 0.000 0.299 148 H C 2.043 177.423 175.328 0.087 0.000 1.099 148 H CA 1.899 57.997 56.048 0.083 0.000 1.315 148 H CB 0.290 30.115 29.762 0.105 0.000 1.380 148 H HN 0.471 nan 8.280 nan 0.000 0.513 149 S N -0.348 115.312 115.700 -0.065 0.000 2.402 149 S HA -0.100 4.375 4.470 0.008 0.000 0.229 149 S C 2.109 176.664 174.600 -0.075 0.000 1.021 149 S CA 1.395 59.522 58.200 -0.122 0.000 0.974 149 S CB -0.177 63.031 63.200 0.013 0.000 0.800 149 S HN 0.514 nan 8.310 nan 0.000 0.484 150 T N 2.786 117.342 114.554 0.005 0.000 2.821 150 T HA 0.089 4.443 4.350 0.008 0.000 0.267 150 T C 1.712 176.431 174.700 0.032 0.000 1.046 150 T CA 0.795 62.924 62.100 0.048 0.000 1.139 150 T CB -0.317 68.629 68.868 0.130 0.000 0.871 150 T HN 0.264 nan 8.240 nan 0.000 0.454 151 L N 0.373 121.605 121.223 0.014 0.000 2.046 151 L HA -0.068 4.277 4.340 0.008 0.000 0.208 151 L C 2.908 179.765 176.870 -0.022 0.000 1.077 151 L CA 1.363 56.215 54.840 0.020 0.000 0.747 151 L CB -0.486 41.604 42.059 0.051 0.000 0.896 151 L HN 0.158 nan 8.230 nan 0.000 0.432 152 R N -0.008 120.421 120.500 -0.119 0.000 2.081 152 R HA -0.134 4.211 4.340 0.008 0.000 0.235 152 R C 2.420 178.695 176.300 -0.041 0.000 1.131 152 R CA 1.367 57.402 56.100 -0.107 0.000 0.960 152 R CB -0.477 29.703 30.300 -0.201 0.000 0.856 152 R HN 0.347 nan 8.270 nan 0.000 0.436 153 A N 1.013 123.810 122.820 -0.038 0.000 1.972 153 A HA -0.072 4.253 4.320 0.008 0.000 0.219 153 A C 2.257 179.865 177.584 0.041 0.000 1.169 153 A CA 1.627 53.659 52.037 -0.008 0.000 0.635 153 A CB -0.395 18.576 19.000 -0.049 0.000 0.810 153 A HN 0.401 nan 8.150 nan 0.000 0.446 154 A N -1.165 121.681 122.820 0.044 0.000 2.067 154 A HA 0.254 4.578 4.320 0.008 0.000 0.217 154 A C 1.984 179.593 177.584 0.043 0.000 1.156 154 A CA 1.539 53.613 52.037 0.061 0.000 0.683 154 A CB -0.209 18.838 19.000 0.078 0.000 0.808 154 A HN 0.340 nan 8.150 nan 0.000 0.455 155 V N -0.593 119.340 119.914 0.031 0.000 2.806 155 V HA 0.137 4.262 4.120 0.008 0.000 0.239 155 V C 0.975 177.080 176.094 0.019 0.000 1.113 155 V CA 0.518 62.834 62.300 0.027 0.000 1.137 155 V CB -0.327 31.515 31.823 0.031 0.000 0.865 155 V HN 0.459 nan 8.190 nan 0.000 0.482 156 M N 1.327 120.935 119.600 0.013 0.000 2.162 156 M HA 0.224 4.708 4.480 0.008 0.000 0.356 156 M C -1.621 174.683 176.300 0.006 0.000 1.303 156 M CA -1.210 54.095 55.300 0.008 0.000 1.116 156 M CB 1.047 33.649 32.600 0.004 0.000 1.632 156 M HN -0.012 nan 8.290 nan 0.000 0.469 157 P HA -0.043 nan 4.420 nan 0.000 0.220 157 P C -0.471 176.826 177.300 -0.005 0.000 1.152 157 P CA 1.171 64.270 63.100 -0.002 0.000 0.812 157 P CB 0.219 31.915 31.700 -0.005 0.000 0.792 158 D N -1.177 119.215 120.400 -0.013 0.000 2.549 158 D HA 0.185 4.829 4.640 0.008 0.000 0.251 158 D C 0.553 176.834 176.300 -0.032 0.000 1.153 158 D CA -0.334 53.651 54.000 -0.026 0.000 0.861 158 D CB 0.734 41.512 40.800 -0.037 0.000 1.207 158 D HN -0.195 nan 8.370 nan 0.000 0.543 159 L N 2.763 123.968 121.223 -0.029 0.000 2.418 159 L HA 0.199 4.544 4.340 0.008 0.000 0.218 159 L C 1.554 178.400 176.870 -0.040 0.000 1.125 159 L CA 0.234 55.064 54.840 -0.016 0.000 0.835 159 L CB -0.031 42.029 42.059 0.000 0.000 0.953 159 L HN 0.263 nan 8.230 nan 0.000 0.454 160 R N 1.804 122.224 120.500 -0.133 0.000 4.054 160 R HA 0.103 4.448 4.340 0.008 0.000 0.227 160 R C -0.197 175.660 176.300 -0.739 0.000 1.902 160 R CA 0.020 55.872 56.100 -0.414 0.000 1.590 160 R CB -0.361 29.765 30.300 -0.289 0.000 1.245 160 R HN 0.424 nan 8.270 nan 0.000 0.647 161 R N -1.945 118.334 120.500 -0.369 0.000 2.752 161 R HA 0.238 4.583 4.340 0.008 0.000 0.277 161 R C -1.284 175.028 176.300 0.020 0.000 1.024 161 R CA -1.009 54.978 56.100 -0.188 0.000 0.866 161 R CB 0.803 31.027 30.300 -0.127 0.000 1.278 161 R HN -0.032 nan 8.270 nan 0.000 0.473 162 E N 0.446 120.679 120.200 0.055 0.000 2.373 162 E HA 0.391 4.746 4.350 0.008 0.000 0.263 162 E C -0.521 176.112 176.600 0.055 0.000 1.073 162 E CA -0.201 56.246 56.400 0.080 0.000 0.894 162 E CB 1.191 30.933 29.700 0.070 0.000 1.008 162 E HN 0.556 nan 8.360 nan 0.000 0.420 163 A N 2.389 125.252 122.820 0.071 0.000 2.371 163 A HA 0.274 4.598 4.320 0.008 0.000 0.257 163 A C 0.323 177.934 177.584 0.045 0.000 1.089 163 A CA -0.199 51.873 52.037 0.059 0.000 0.794 163 A CB 0.492 19.541 19.000 0.082 0.000 1.029 163 A HN 0.713 nan 8.150 nan 0.000 0.488 164 T N -1.168 113.406 114.554 0.035 0.000 2.788 164 T HA 0.511 4.865 4.350 0.008 0.000 0.280 164 T C 1.390 176.109 174.700 0.031 0.000 0.984 164 T CA -0.006 62.110 62.100 0.028 0.000 0.972 164 T CB 0.972 69.852 68.868 0.020 0.000 1.039 164 T HN 1.228 nan 8.240 nan 0.000 0.530 165 A N 0.698 123.533 122.820 0.026 0.000 1.908 165 A HA -0.117 4.207 4.320 0.008 0.000 0.218 165 A C 2.073 179.674 177.584 0.027 0.000 1.181 165 A CA 1.828 53.881 52.037 0.025 0.000 0.627 165 A CB -1.102 17.910 19.000 0.020 0.000 0.818 165 A HN 0.926 nan 8.150 nan 0.000 0.445 166 D N -0.383 120.031 120.400 0.024 0.000 2.117 166 D HA -0.129 4.515 4.640 0.008 0.000 0.197 166 D C 1.927 178.245 176.300 0.029 0.000 0.987 166 D CA 1.513 55.528 54.000 0.024 0.000 0.829 166 D CB -0.340 40.471 40.800 0.019 0.000 0.961 166 D HN 0.680 nan 8.370 nan 0.000 0.460 167 E N 0.414 120.633 120.200 0.032 0.000 2.072 167 E HA -0.071 4.284 4.350 0.008 0.000 0.191 167 E C 2.401 179.031 176.600 0.050 0.000 0.985 167 E CA 0.339 56.761 56.400 0.038 0.000 0.801 167 E CB 0.054 29.776 29.700 0.036 0.000 0.750 167 E HN 0.292 nan 8.360 nan 0.000 0.452 168 I N 1.247 121.849 120.570 0.054 0.000 2.226 168 I HA -0.307 3.868 4.170 0.008 0.000 0.245 168 I C 2.448 178.598 176.117 0.055 0.000 1.100 168 I CA 1.283 62.621 61.300 0.064 0.000 1.374 168 I CB -0.221 37.812 38.000 0.056 0.000 1.057 168 I HN 0.129 nan 8.210 nan 0.000 0.413 169 Q N 0.441 120.267 119.800 0.043 0.000 2.124 169 Q HA -0.180 4.165 4.340 0.008 0.000 0.202 169 Q C 2.439 178.464 176.000 0.042 0.000 0.977 169 Q CA 1.781 57.608 55.803 0.039 0.000 0.850 169 Q CB -0.237 28.520 28.738 0.032 0.000 0.901 169 Q HN 0.579 nan 8.270 nan 0.000 0.429 170 A N 0.493 123.338 122.820 0.042 0.000 1.898 170 A HA -0.163 4.162 4.320 0.008 0.000 0.216 170 A C 2.022 179.636 177.584 0.050 0.000 1.181 170 A CA 1.248 53.311 52.037 0.042 0.000 0.620 170 A CB -0.405 18.618 19.000 0.038 0.000 0.819 170 A HN 0.283 nan 8.150 nan 0.000 0.442 171 M N -1.095 118.541 119.600 0.059 0.000 2.132 171 M HA -0.158 4.326 4.480 0.008 0.000 0.263 171 M C 2.481 178.823 176.300 0.070 0.000 1.065 171 M CA 1.577 56.920 55.300 0.072 0.000 1.122 171 M CB -0.352 32.309 32.600 0.101 0.000 1.365 171 M HN 0.534 nan 8.290 nan 0.000 0.411 172 Q N 0.769 120.609 119.800 0.066 0.000 2.170 172 Q HA -0.156 4.188 4.340 0.008 0.000 0.203 172 Q C 1.910 177.939 176.000 0.048 0.000 0.976 172 Q CA 1.910 57.747 55.803 0.057 0.000 0.858 172 Q CB -0.077 28.692 28.738 0.052 0.000 0.907 172 Q HN 0.529 nan 8.270 nan 0.000 0.433 173 A N 0.806 123.654 122.820 0.046 0.000 1.898 173 A HA -0.110 4.215 4.320 0.008 0.000 0.216 173 A C 2.239 179.845 177.584 0.037 0.000 1.181 173 A CA 1.035 53.098 52.037 0.043 0.000 0.620 173 A CB -0.622 18.403 19.000 0.042 0.000 0.819 173 A HN 0.406 nan 8.150 nan 0.000 0.442 174 L N -0.831 120.416 121.223 0.040 0.000 2.056 174 L HA -0.169 4.176 4.340 0.008 0.000 0.207 174 L C 3.111 179.979 176.870 -0.004 0.000 1.078 174 L CA 0.985 55.847 54.840 0.037 0.000 0.749 174 L CB -0.566 41.526 42.059 0.055 0.000 0.901 174 L HN 0.442 nan 8.230 nan 0.000 0.433 175 A N 0.104 122.922 122.820 -0.004 0.000 1.877 175 A HA -0.309 4.016 4.320 0.008 0.000 0.216 175 A C 1.961 179.491 177.584 -0.091 0.000 1.186 175 A CA 2.252 54.260 52.037 -0.049 0.000 0.620 175 A CB -0.718 18.286 19.000 0.007 0.000 0.822 175 A HN 0.464 nan 8.150 nan 0.000 0.443 176 D N -0.467 119.914 120.400 -0.030 0.000 2.117 176 D HA -0.151 4.494 4.640 0.008 0.000 0.197 176 D C 1.328 177.565 176.300 -0.106 0.000 0.987 176 D CA 1.467 55.450 54.000 -0.028 0.000 0.829 176 D CB -0.088 40.765 40.800 0.088 0.000 0.961 176 D HN 0.386 nan 8.370 nan 0.000 0.460 177 D N -0.071 120.302 120.400 -0.046 0.000 2.117 177 D HA -0.134 4.511 4.640 0.008 0.000 0.197 177 D C 2.036 178.291 176.300 -0.075 0.000 0.987 177 D CA 1.256 55.240 54.000 -0.026 0.000 0.829 177 D CB -0.404 40.414 40.800 0.029 0.000 0.961 177 D HN 0.328 nan 8.370 nan 0.000 0.460 178 A N 0.997 123.728 122.820 -0.148 0.000 1.877 178 A HA -0.137 4.187 4.320 0.008 0.000 0.216 178 A C 2.442 179.814 177.584 -0.353 0.000 1.186 178 A CA 0.967 52.808 52.037 -0.327 0.000 0.620 178 A CB -0.846 17.713 19.000 -0.734 0.000 0.822 178 A HN 0.188 nan 8.150 nan 0.000 0.443 179 L N -0.819 120.165 121.223 -0.398 0.000 2.046 179 L HA -0.197 4.148 4.340 0.008 0.000 0.208 179 L C 3.084 179.683 176.870 -0.453 0.000 1.077 179 L CA 1.040 55.607 54.840 -0.455 0.000 0.747 179 L CB -0.536 41.143 42.059 -0.633 0.000 0.896 179 L HN 0.447 nan 8.230 nan 0.000 0.432 180 A N -0.811 121.726 122.820 -0.473 0.000 1.972 180 A HA -0.171 4.153 4.320 0.008 0.000 0.219 180 A C 2.420 179.983 177.584 -0.034 0.000 1.169 180 A CA 1.993 53.932 52.037 -0.164 0.000 0.635 180 A CB -0.473 18.514 19.000 -0.021 0.000 0.810 180 A HN 0.386 nan 8.150 nan 0.000 0.446 181 S N -2.000 113.690 115.700 -0.017 0.000 2.522 181 S HA 0.318 4.792 4.470 0.008 0.000 0.227 181 S C 1.380 176.030 174.600 0.083 0.000 0.986 181 S CA 0.994 59.234 58.200 0.066 0.000 0.929 181 S CB 0.224 63.516 63.200 0.154 0.000 0.769 181 S HN 1.433 nan 8.310 nan 0.000 0.529 182 G N 0.443 109.271 108.800 0.047 0.000 2.425 182 G HA2 0.024 3.989 3.960 0.008 0.000 0.177 182 G HA3 0.024 3.989 3.960 0.008 0.000 0.177 182 G C 0.132 175.077 174.900 0.075 0.000 0.999 182 G CA -0.320 44.819 45.100 0.065 0.000 0.723 182 G HN 0.681 nan 8.290 nan 0.000 0.491 183 A N 0.848 123.681 122.820 0.023 0.000 2.531 183 A HA 0.546 4.871 4.320 0.008 0.000 0.236 183 A C 1.530 179.094 177.584 -0.034 0.000 1.062 183 A CA 0.675 52.682 52.037 -0.051 0.000 0.760 183 A CB -0.116 18.602 19.000 -0.470 0.000 0.995 183 A HN 1.400 nan 8.150 nan 0.000 0.501 184 I N -0.282 120.300 120.570 0.020 0.000 3.793 184 I HA 0.535 4.710 4.170 0.008 0.000 0.315 184 I C 0.686 176.839 176.117 0.061 0.000 1.275 184 I CA 0.424 61.756 61.300 0.053 0.000 1.214 184 I CB -0.253 37.804 38.000 0.095 0.000 1.018 184 I HN 0.720 nan 8.210 nan 0.000 0.439 185 G N 1.135 109.945 108.800 0.016 0.000 2.321 185 G HA2 0.479 4.444 3.960 0.008 0.000 0.296 185 G HA3 0.479 4.444 3.960 0.008 0.000 0.296 185 G C -1.735 173.160 174.900 -0.009 0.000 1.287 185 G CA -0.797 44.323 45.100 0.032 0.000 0.846 185 G HN 0.096 nan 8.290 nan 0.000 0.508 186 I N 1.020 121.605 120.570 0.026 0.000 2.582 186 I HA 0.586 4.761 4.170 0.008 0.000 0.292 186 I C 0.187 176.289 176.117 -0.025 0.000 1.066 186 I CA -0.888 60.424 61.300 0.020 0.000 1.053 186 I CB 2.430 40.476 38.000 0.078 0.000 1.241 186 I HN 0.719 nan 8.210 nan 0.000 0.421 187 S N 2.796 118.482 115.700 -0.023 0.000 2.600 187 S HA 0.886 5.361 4.470 0.008 0.000 0.300 187 S C -0.447 174.154 174.600 0.003 0.000 1.087 187 S CA -0.515 57.628 58.200 -0.095 0.000 0.965 187 S CB 2.140 65.323 63.200 -0.029 0.000 1.089 187 S HN 0.719 nan 8.310 nan 0.000 0.496 188 T N -2.577 111.955 114.554 -0.037 0.000 2.901 188 T HA 0.821 5.175 4.350 0.008 0.000 0.293 188 T C -0.038 174.777 174.700 0.193 0.000 1.084 188 T CA -0.619 61.565 62.100 0.140 0.000 1.008 188 T CB 1.480 70.430 68.868 0.136 0.000 1.170 188 T HN 1.459 nan 8.240 nan 0.000 0.509 189 G N -0.330 108.652 108.800 0.302 0.000 4.079 189 G HA2 0.559 4.523 3.960 0.008 0.000 0.271 189 G HA3 0.559 4.523 3.960 0.008 0.000 0.271 189 G C 0.640 175.771 174.900 0.385 0.000 1.144 189 G CA -0.033 45.310 45.100 0.405 0.000 0.700 189 G HN 1.080 nan 8.290 nan 0.000 0.500 190 A N 0.427 123.408 122.820 0.269 0.000 2.248 190 A HA 0.119 4.444 4.320 0.008 0.000 0.210 190 A C 1.618 179.286 177.584 0.140 0.000 1.174 190 A CA 0.898 53.056 52.037 0.201 0.000 0.750 190 A CB -0.317 18.775 19.000 0.153 0.000 0.780 190 A HN 0.805 nan 8.150 nan 0.000 0.478 191 F N -0.544 119.355 119.950 -0.084 0.000 2.367 191 F HA 0.132 4.664 4.527 0.010 0.000 0.298 191 F C 0.267 175.846 175.800 -0.367 0.000 1.094 191 F CA -0.254 57.573 58.000 -0.288 0.000 1.409 191 F CB -0.202 38.511 39.000 -0.479 0.000 1.064 191 F HN 0.237 nan 8.300 nan 0.000 0.528 192 Y N 0.951 121.255 120.300 0.007 0.000 2.307 192 Y HA 0.269 4.824 4.550 0.008 0.000 0.324 192 Y C -1.007 174.847 175.900 -0.076 0.000 1.238 192 Y CA -2.665 55.378 58.100 -0.096 0.000 1.280 192 Y CB -0.580 37.901 38.460 0.035 0.000 1.248 192 Y HN -0.178 nan 8.280 nan 0.000 0.508 193 P HA -0.208 nan 4.420 nan 0.000 0.217 193 P C -1.283 176.066 177.300 0.082 0.000 1.158 193 P CA 2.286 65.412 63.100 0.042 0.000 0.887 193 P CB -0.824 30.892 31.700 0.027 0.000 0.792 194 P HA -0.103 nan 4.420 nan 0.000 0.219 194 P C 0.785 178.126 177.300 0.068 0.000 1.146 194 P CA 1.992 65.121 63.100 0.049 0.000 0.808 194 P CB -0.405 31.303 31.700 0.013 0.000 0.779 195 A N -1.779 121.111 122.820 0.117 0.000 2.585 195 A HA 0.577 4.901 4.320 0.008 0.000 0.266 195 A C 1.808 179.483 177.584 0.151 0.000 1.178 195 A CA 0.455 52.589 52.037 0.161 0.000 0.966 195 A CB -0.492 18.654 19.000 0.242 0.000 1.170 195 A HN 0.075 nan 8.150 nan 0.000 0.558 196 A N -0.491 122.375 122.820 0.078 0.000 2.019 196 A HA -0.160 4.165 4.320 0.008 0.000 0.219 196 A C 1.683 179.190 177.584 -0.129 0.000 1.164 196 A CA 1.471 53.477 52.037 -0.051 0.000 0.644 196 A CB -0.749 18.156 19.000 -0.158 0.000 0.805 196 A HN 0.633 nan 8.150 nan 0.000 0.449 197 H N -0.833 118.266 119.070 0.048 0.000 2.539 197 H HA 0.366 4.927 4.556 0.008 0.000 0.269 197 H C 0.931 176.297 175.328 0.064 0.000 0.980 197 H CA 0.407 56.481 56.048 0.043 0.000 1.152 197 H CB -0.101 29.679 29.762 0.031 0.000 1.407 197 H HN 0.495 nan 8.280 nan 0.000 0.564 198 A N 2.106 125.037 122.820 0.186 0.000 2.454 198 A HA 0.246 4.571 4.320 0.008 0.000 0.260 198 A C 0.886 178.535 177.584 0.109 0.000 1.106 198 A CA -0.172 51.976 52.037 0.184 0.000 0.780 198 A CB 0.127 19.313 19.000 0.310 0.000 1.044 198 A HN 0.371 nan 8.150 nan 0.000 0.498 199 S N 2.149 117.899 115.700 0.083 0.000 2.624 199 S HA 0.258 4.733 4.470 0.008 0.000 0.263 199 S C 1.099 175.712 174.600 0.020 0.000 1.287 199 S CA 0.258 58.484 58.200 0.044 0.000 0.990 199 S CB 0.631 63.854 63.200 0.038 0.000 0.950 199 S HN 0.638 nan 8.310 nan 0.000 0.561 200 T N 1.200 115.756 114.554 0.003 0.000 2.788 200 T HA -0.059 4.296 4.350 0.008 0.000 0.268 200 T C 1.586 176.267 174.700 -0.031 0.000 1.044 200 T CA 1.322 63.410 62.100 -0.019 0.000 1.139 200 T CB -0.375 68.479 68.868 -0.023 0.000 0.867 200 T HN 0.608 nan 8.240 nan 0.000 0.454 201 E N 1.106 121.297 120.200 -0.015 0.000 2.110 201 E HA -0.124 4.231 4.350 0.008 0.000 0.193 201 E C 2.172 178.766 176.600 -0.011 0.000 0.988 201 E CA 0.802 57.193 56.400 -0.015 0.000 0.804 201 E CB -0.261 29.438 29.700 -0.002 0.000 0.745 201 E HN 0.666 nan 8.360 nan 0.000 0.458 202 E N 0.652 120.855 120.200 0.006 0.000 2.051 202 E HA -0.166 4.189 4.350 0.008 0.000 0.192 202 E C 2.236 178.822 176.600 -0.023 0.000 0.991 202 E CA 0.847 57.261 56.400 0.024 0.000 0.799 202 E CB -0.100 29.645 29.700 0.075 0.000 0.748 202 E HN 0.196 nan 8.360 nan 0.000 0.449 203 I N 0.902 121.418 120.570 -0.090 0.000 2.163 203 I HA -0.300 3.875 4.170 0.008 0.000 0.243 203 I C 2.474 178.524 176.117 -0.111 0.000 1.085 203 I CA 1.024 62.217 61.300 -0.178 0.000 1.347 203 I CB -0.237 37.670 38.000 -0.155 0.000 1.044 203 I HN 0.223 nan 8.210 nan 0.000 0.408 204 I N 0.342 120.852 120.570 -0.100 0.000 2.179 204 I HA -0.268 3.906 4.170 0.008 0.000 0.242 204 I C 2.579 178.666 176.117 -0.050 0.000 1.088 204 I CA 1.280 62.521 61.300 -0.098 0.000 1.357 204 I CB -0.424 37.525 38.000 -0.085 0.000 1.051 204 I HN 0.232 nan 8.210 nan 0.000 0.409 205 E N 0.476 120.662 120.200 -0.024 0.000 2.077 205 E HA -0.142 4.213 4.350 0.008 0.000 0.193 205 E C 2.423 179.033 176.600 0.018 0.000 0.989 205 E CA 1.069 57.469 56.400 0.001 0.000 0.800 205 E CB -0.449 29.258 29.700 0.012 0.000 0.746 205 E HN 0.326 nan 8.360 nan 0.000 0.452 206 V N 0.604 120.534 119.914 0.026 0.000 2.490 206 V HA -0.223 3.902 4.120 0.008 0.000 0.250 206 V C 2.154 178.281 176.094 0.054 0.000 1.061 206 V CA 1.378 63.713 62.300 0.058 0.000 1.064 206 V CB -0.384 31.502 31.823 0.105 0.000 0.670 206 V HN 0.275 nan 8.190 nan 0.000 0.461 207 C N -0.110 119.211 119.300 0.034 0.000 2.673 207 C HA 0.140 4.605 4.460 0.008 0.000 0.274 207 C C 2.532 177.544 174.990 0.036 0.000 1.276 207 C CA -0.581 58.468 59.018 0.051 0.000 1.701 207 C CB -1.344 26.436 27.740 0.066 0.000 1.836 207 C HN 0.444 nan 8.230 nan 0.000 0.596 208 R N 2.166 122.680 120.500 0.025 0.000 2.117 208 R HA -0.124 4.221 4.340 0.008 0.000 0.243 208 R C -0.431 175.897 176.300 0.046 0.000 1.143 208 R CA 1.500 57.613 56.100 0.022 0.000 0.968 208 R CB -2.119 28.192 30.300 0.018 0.000 0.863 208 R HN 0.380 nan 8.270 nan 0.000 0.444 209 P HA -0.082 nan 4.420 nan 0.000 0.223 209 P C 1.292 178.702 177.300 0.183 0.000 1.144 209 P CA 0.850 64.041 63.100 0.152 0.000 0.783 209 P CB -0.138 31.671 31.700 0.181 0.000 0.771 210 L N -1.499 119.793 121.223 0.116 0.000 2.079 210 L HA -0.193 4.152 4.340 0.008 0.000 0.210 210 L C 2.233 179.152 176.870 0.082 0.000 1.081 210 L CA 1.115 56.020 54.840 0.108 0.000 0.752 210 L CB -0.744 41.369 42.059 0.090 0.000 0.896 210 L HN 0.006 nan 8.230 nan 0.000 0.433 211 I N -0.482 120.115 120.570 0.046 0.000 2.315 211 I HA -0.226 3.949 4.170 0.008 0.000 0.248 211 I C 2.299 178.412 176.117 -0.008 0.000 1.117 211 I CA 1.729 63.039 61.300 0.017 0.000 1.404 211 I CB -0.207 37.793 38.000 0.001 0.000 1.071 211 I HN 0.113 nan 8.210 nan 0.000 0.419 212 T N -0.453 114.078 114.554 -0.039 0.000 2.857 212 T HA -0.096 4.258 4.350 0.008 0.000 0.266 212 T C 1.691 176.255 174.700 -0.228 0.000 1.048 212 T CA 1.397 63.405 62.100 -0.154 0.000 1.139 212 T CB -0.350 68.368 68.868 -0.250 0.000 0.874 212 T HN 0.408 nan 8.240 nan 0.000 0.455 213 H N 0.074 119.149 119.070 0.009 0.000 2.563 213 H HA 0.299 4.859 4.556 0.008 0.000 0.264 213 H C 1.775 177.112 175.328 0.014 0.000 0.957 213 H CA 0.570 56.624 56.048 0.010 0.000 1.173 213 H CB 0.109 29.875 29.762 0.006 0.000 1.420 213 H HN 0.499 nan 8.280 nan 0.000 0.551 214 G N 1.211 110.072 108.800 0.102 0.000 2.256 214 G HA2 -0.208 3.757 3.960 0.008 0.000 0.272 214 G HA3 -0.208 3.757 3.960 0.008 0.000 0.272 214 G C 0.630 175.577 174.900 0.079 0.000 1.076 214 G CA 0.314 45.456 45.100 0.071 0.000 0.882 214 G HN 0.697 nan 8.290 nan 0.000 0.497 215 G N -1.734 107.120 108.800 0.090 0.000 2.613 215 G HA2 0.927 4.892 3.960 0.008 0.000 0.303 215 G HA3 0.927 4.892 3.960 0.008 0.000 0.303 215 G C 0.293 175.239 174.900 0.076 0.000 1.312 215 G CA 0.100 45.248 45.100 0.080 0.000 1.036 215 G HN 1.593 nan 8.290 nan 0.000 0.513 216 V N -2.706 117.257 119.914 0.082 0.000 2.881 216 V HA 0.727 4.852 4.120 0.008 0.000 0.316 216 V C -1.074 175.097 176.094 0.129 0.000 1.070 216 V CA -1.343 61.004 62.300 0.078 0.000 0.976 216 V CB 1.676 33.505 31.823 0.010 0.000 1.038 216 V HN 0.687 nan 8.190 nan 0.000 0.446 217 Y N 2.391 122.699 120.300 0.012 0.000 2.334 217 Y HA 0.802 5.356 4.550 0.007 0.000 0.336 217 Y C 0.062 175.981 175.900 0.032 0.000 0.960 217 Y CA -0.355 57.758 58.100 0.023 0.000 1.164 217 Y CB 0.718 39.185 38.460 0.012 0.000 1.155 217 Y HN 1.139 nan 8.280 nan 0.000 0.478 218 A N 4.351 126.906 122.820 -0.442 0.000 2.340 218 A HA 0.791 5.116 4.320 0.008 0.000 0.331 218 A C -0.659 176.616 177.584 -0.516 0.000 1.140 218 A CA -0.461 51.390 52.037 -0.309 0.000 0.801 218 A CB 1.464 20.436 19.000 -0.047 0.000 1.234 218 A HN 0.705 nan 8.150 nan 0.000 0.469 219 T N 0.020 114.403 114.554 -0.285 0.000 3.041 219 T HA 0.574 4.929 4.350 0.008 0.000 0.321 219 T C -1.031 173.626 174.700 -0.072 0.000 1.184 219 T CA 0.277 62.260 62.100 -0.195 0.000 1.050 219 T CB 1.089 69.846 68.868 -0.184 0.000 1.159 219 T HN 1.685 nan 8.240 nan 0.000 0.469 220 A N 6.222 129.065 122.820 0.038 0.000 2.366 220 A HA 0.624 4.949 4.320 0.008 0.000 0.322 220 A C 0.765 178.418 177.584 0.115 0.000 1.397 220 A CA -0.577 51.514 52.037 0.089 0.000 0.984 220 A CB -0.331 18.917 19.000 0.414 0.000 1.149 220 A HN 0.919 nan 8.150 nan 0.000 0.540 221 M N 1.489 121.116 119.600 0.045 0.000 2.234 221 M HA -0.019 4.466 4.480 0.008 0.000 0.326 221 M C 1.706 178.032 176.300 0.044 0.000 1.077 221 M CA 0.289 55.607 55.300 0.031 0.000 1.052 221 M CB 0.325 32.917 32.600 -0.013 0.000 1.607 221 M HN 0.886 nan 8.290 nan 0.000 0.445 222 R N 0.892 121.428 120.500 0.060 0.000 2.139 222 R HA -0.141 4.204 4.340 0.008 0.000 0.243 222 R C 0.134 176.497 176.300 0.106 0.000 1.145 222 R CA 1.450 57.610 56.100 0.100 0.000 0.976 222 R CB 0.227 30.568 30.300 0.069 0.000 0.866 222 R HN 0.721 nan 8.270 nan 0.000 0.449 223 D N -1.309 119.094 120.400 0.005 0.000 2.927 223 D HA 0.066 4.710 4.640 0.008 0.000 0.219 223 D C -1.103 175.131 176.300 -0.109 0.000 1.248 223 D CA -0.285 53.687 54.000 -0.048 0.000 0.861 223 D CB 1.651 42.499 40.800 0.080 0.000 1.677 223 D HN 0.088 nan 8.370 nan 0.000 0.511 224 E N 1.377 121.454 120.200 -0.205 0.000 2.734 224 E HA 0.294 4.649 4.350 0.008 0.000 0.211 224 E C 0.476 176.999 176.600 -0.128 0.000 0.991 224 E CA -0.433 55.876 56.400 -0.152 0.000 1.065 224 E CB 1.707 31.291 29.700 -0.194 0.000 1.047 224 E HN 0.490 nan 8.360 nan 0.000 0.470 225 G N 1.149 109.886 108.800 -0.105 0.000 3.244 225 G HA2 -0.037 3.928 3.960 0.008 0.000 0.197 225 G HA3 -0.037 3.928 3.960 0.008 0.000 0.197 225 G C 0.755 175.588 174.900 -0.112 0.000 1.531 225 G CA -0.126 44.915 45.100 -0.099 0.000 0.747 225 G HN 0.138 nan 8.290 nan 0.000 0.763 226 E N -0.138 119.956 120.200 -0.177 0.000 2.130 226 E HA -0.203 4.152 4.350 0.008 0.000 0.196 226 E C 0.854 177.232 176.600 -0.370 0.000 0.998 226 E CA 1.208 57.421 56.400 -0.312 0.000 0.806 226 E CB -0.106 29.315 29.700 -0.465 0.000 0.738 226 E HN 0.473 nan 8.360 nan 0.000 0.459 227 H N -0.176 118.880 119.070 -0.024 0.000 2.488 227 H HA 0.133 4.694 4.556 0.008 0.000 0.294 227 H C 1.393 176.705 175.328 -0.027 0.000 1.088 227 H CA -0.092 55.945 56.048 -0.019 0.000 1.086 227 H CB 0.132 29.887 29.762 -0.012 0.000 1.569 227 H HN 0.303 nan 8.280 nan 0.000 0.548 228 I N 0.176 120.766 120.570 0.033 0.000 2.361 228 I HA -0.235 3.939 4.170 0.008 0.000 0.251 228 I C 1.687 177.809 176.117 0.009 0.000 1.133 228 I CA 0.639 61.946 61.300 0.011 0.000 1.413 228 I CB 0.173 38.171 38.000 -0.004 0.000 1.073 228 I HN 0.011 nan 8.210 nan 0.000 0.424 229 V N 0.814 120.743 119.914 0.025 0.000 2.295 229 V HA -0.311 3.813 4.120 0.008 0.000 0.246 229 V C 2.403 178.503 176.094 0.010 0.000 1.049 229 V CA 1.892 64.207 62.300 0.025 0.000 1.024 229 V CB -0.728 31.120 31.823 0.041 0.000 0.648 229 V HN 0.459 nan 8.190 nan 0.000 0.447 230 Q N 0.214 120.034 119.800 0.033 0.000 2.124 230 Q HA -0.050 4.295 4.340 0.008 0.000 0.202 230 Q C 2.270 178.253 176.000 -0.028 0.000 0.977 230 Q CA 1.804 57.615 55.803 0.012 0.000 0.850 230 Q CB -0.761 27.991 28.738 0.023 0.000 0.901 230 Q HN 0.653 nan 8.270 nan 0.000 0.429 231 A N 0.023 122.827 122.820 -0.027 0.000 1.930 231 A HA -0.096 4.229 4.320 0.008 0.000 0.217 231 A C 2.023 179.512 177.584 -0.159 0.000 1.175 231 A CA 0.954 52.956 52.037 -0.058 0.000 0.627 231 A CB -0.590 18.393 19.000 -0.028 0.000 0.815 231 A HN 0.338 nan 8.150 nan 0.000 0.443 232 L N -0.585 120.505 121.223 -0.222 0.000 2.056 232 L HA -0.150 4.195 4.340 0.008 0.000 0.207 232 L C 2.621 179.048 176.870 -0.739 0.000 1.078 232 L CA 1.139 55.656 54.840 -0.539 0.000 0.749 232 L CB -0.426 41.394 42.059 -0.399 0.000 0.901 232 L HN 0.307 nan 8.230 nan 0.000 0.433 233 E N -0.038 120.000 120.200 -0.271 0.000 2.077 233 E HA -0.277 4.078 4.350 0.008 0.000 0.193 233 E C 1.935 178.493 176.600 -0.070 0.000 0.989 233 E CA 1.231 57.597 56.400 -0.057 0.000 0.800 233 E CB -0.139 29.583 29.700 0.036 0.000 0.746 233 E HN 0.532 nan 8.360 nan 0.000 0.452 234 E N 0.373 120.514 120.200 -0.098 0.000 2.051 234 E HA -0.153 4.202 4.350 0.008 0.000 0.192 234 E C 1.792 178.346 176.600 -0.077 0.000 0.991 234 E CA 1.694 58.057 56.400 -0.062 0.000 0.799 234 E CB 0.060 29.733 29.700 -0.045 0.000 0.748 234 E HN 0.090 nan 8.360 nan 0.000 0.449 235 T N 0.520 114.982 114.554 -0.152 0.000 2.746 235 T HA -0.137 4.218 4.350 0.008 0.000 0.267 235 T C 1.397 176.080 174.700 -0.028 0.000 1.039 235 T CA 1.430 63.468 62.100 -0.102 0.000 1.142 235 T CB -0.353 68.405 68.868 -0.184 0.000 0.866 235 T HN 0.169 nan 8.240 nan 0.000 0.444 236 F N 1.530 121.482 119.950 0.004 0.000 2.134 236 F HA 0.071 4.603 4.527 0.007 0.000 0.299 236 F C 2.506 178.285 175.800 -0.034 0.000 1.097 236 F CA 0.451 58.444 58.000 -0.011 0.000 1.264 236 F CB -0.918 38.077 39.000 -0.008 0.000 1.001 236 F HN -0.011 nan 8.300 nan 0.000 0.479 237 R N 1.173 121.754 120.500 0.135 0.000 2.073 237 R HA -0.122 4.222 4.340 0.008 0.000 0.234 237 R C 2.085 178.372 176.300 -0.022 0.000 1.134 237 R CA 1.578 57.706 56.100 0.046 0.000 0.952 237 R CB -1.095 29.216 30.300 0.019 0.000 0.850 237 R HN 0.341 nan 8.270 nan 0.000 0.433 238 I N -0.072 120.448 120.570 -0.083 0.000 2.208 238 I HA -0.185 3.989 4.170 0.008 0.000 0.245 238 I C 2.271 178.264 176.117 -0.206 0.000 1.097 238 I CA 1.579 62.752 61.300 -0.211 0.000 1.363 238 I CB -0.736 37.017 38.000 -0.411 0.000 1.051 238 I HN 0.456 nan 8.210 nan 0.000 0.413 239 G N 0.720 109.454 108.800 -0.108 0.000 2.440 239 G HA2 -0.230 3.735 3.960 0.008 0.000 0.218 239 G HA3 -0.230 3.735 3.960 0.008 0.000 0.218 239 G C 1.824 176.708 174.900 -0.027 0.000 1.154 239 G CA 0.482 45.558 45.100 -0.041 0.000 0.767 239 G HN 0.306 nan 8.290 nan 0.000 0.552 240 R N 0.065 120.560 120.500 -0.008 0.000 2.075 240 R HA -0.007 4.338 4.340 0.008 0.000 0.232 240 R C 2.476 178.760 176.300 -0.027 0.000 1.126 240 R CA 1.100 57.193 56.100 -0.011 0.000 0.963 240 R CB -0.183 30.119 30.300 0.002 0.000 0.858 240 R HN 0.273 nan 8.270 nan 0.000 0.435 241 E N 0.854 121.028 120.200 -0.043 0.000 2.110 241 E HA -0.141 4.214 4.350 0.008 0.000 0.193 241 E C 2.046 178.615 176.600 -0.052 0.000 0.988 241 E CA 1.045 57.416 56.400 -0.048 0.000 0.804 241 E CB -0.012 29.651 29.700 -0.061 0.000 0.745 241 E HN 0.371 nan 8.360 nan 0.000 0.458 242 L N 0.088 121.268 121.223 -0.072 0.000 2.307 242 L HA 0.009 4.354 4.340 0.008 0.000 0.211 242 L C 0.438 177.290 176.870 -0.031 0.000 1.099 242 L CA 0.189 54.993 54.840 -0.060 0.000 0.816 242 L CB -0.104 41.898 42.059 -0.095 0.000 0.952 242 L HN 0.050 nan 8.230 nan 0.000 0.455 243 D N 0.599 120.983 120.400 -0.027 0.000 2.699 243 D HA -0.144 4.501 4.640 0.008 0.000 0.239 243 D C -0.553 175.746 176.300 -0.003 0.000 1.136 243 D CA 0.808 54.800 54.000 -0.013 0.000 0.668 243 D CB -0.679 40.114 40.800 -0.011 0.000 1.060 243 D HN 0.164 nan 8.370 nan 0.000 0.429 244 V N -3.659 116.257 119.914 0.003 0.000 3.130 244 V HA 0.917 5.042 4.120 0.008 0.000 0.310 244 V C -2.541 173.574 176.094 0.035 0.000 1.158 244 V CA -2.089 60.225 62.300 0.023 0.000 1.029 244 V CB 2.033 33.880 31.823 0.041 0.000 1.057 244 V HN -0.063 nan 8.190 nan 0.000 0.436 245 P HA 0.391 nan 4.420 nan 0.000 0.271 245 P C -0.571 176.771 177.300 0.070 0.000 1.216 245 P CA -0.010 63.104 63.100 0.022 0.000 0.776 245 P CB 0.927 32.611 31.700 -0.026 0.000 0.881 246 V N 1.126 121.093 119.914 0.088 0.000 2.628 246 V HA 0.677 4.802 4.120 0.008 0.000 0.306 246 V C -0.617 175.514 176.094 0.061 0.000 1.045 246 V CA -0.869 61.532 62.300 0.169 0.000 0.905 246 V CB 2.170 34.147 31.823 0.257 0.000 0.997 246 V HN 0.168 nan 8.190 nan 0.000 0.436 247 V N 5.509 125.436 119.914 0.022 0.000 2.407 247 V HA 0.473 4.598 4.120 0.008 0.000 0.291 247 V C -0.075 176.011 176.094 -0.014 0.000 1.018 247 V CA -0.360 61.922 62.300 -0.030 0.000 0.842 247 V CB 1.541 33.319 31.823 -0.076 0.000 0.996 247 V HN 0.845 nan 8.190 nan 0.000 0.426 248 I N 3.973 124.537 120.570 -0.011 0.000 2.322 248 I HA 0.222 4.397 4.170 0.008 0.000 0.292 248 I C 0.732 176.807 176.117 -0.071 0.000 1.060 248 I CA 0.413 61.684 61.300 -0.048 0.000 1.309 248 I CB 1.047 39.003 38.000 -0.073 0.000 1.415 248 I HN 0.568 nan 8.210 nan 0.000 0.492 249 S N 4.472 120.075 115.700 -0.162 0.000 2.580 249 S HA 0.101 4.575 4.470 0.008 0.000 0.274 249 S C 0.154 174.396 174.600 -0.596 0.000 1.329 249 S CA -0.426 57.572 58.200 -0.337 0.000 1.036 249 S CB 0.282 63.260 63.200 -0.370 0.000 0.919 249 S HN 0.893 nan 8.310 nan 0.000 0.515 250 H N -0.620 118.352 119.070 -0.163 0.000 2.166 250 H HA -0.238 4.323 4.556 0.007 0.000 0.323 250 H C -0.301 174.947 175.328 -0.132 0.000 0.936 250 H CA 0.806 56.743 56.048 -0.186 0.000 1.073 250 H CB -2.464 27.233 29.762 -0.107 0.000 1.592 250 H HN 0.677 nan 8.280 nan 0.000 0.346 251 H N 2.053 121.078 119.070 -0.075 0.000 2.928 251 H HA 0.391 4.951 4.556 0.006 0.000 0.338 251 H C 0.753 176.017 175.328 -0.108 0.000 1.047 251 H CA 0.711 56.718 56.048 -0.068 0.000 1.435 251 H CB 0.518 30.235 29.762 -0.075 0.000 1.428 251 H HN 0.875 nan 8.280 nan 0.000 0.590 252 K N 1.612 121.651 120.400 -0.603 0.000 2.672 252 K HA 0.510 4.835 4.320 0.008 0.000 0.295 252 K C -1.922 174.426 176.600 -0.419 0.000 1.042 252 K CA -0.792 55.207 56.287 -0.479 0.000 0.869 252 K CB 0.918 33.263 32.500 -0.259 0.000 1.541 252 K HN 0.324 nan 8.250 nan 0.000 0.396 253 V N -1.168 118.602 119.914 -0.240 0.000 2.447 253 V HA 0.574 4.698 4.120 0.008 0.000 0.292 253 V C -0.322 175.773 176.094 0.003 0.000 1.021 253 V CA -0.788 61.444 62.300 -0.114 0.000 0.850 253 V CB 0.802 32.585 31.823 -0.067 0.000 1.005 253 V HN 0.893 nan 8.190 nan 0.000 0.426 254 M N 3.414 123.005 119.600 -0.014 0.000 2.363 254 M HA 1.007 5.492 4.480 0.008 0.000 0.343 254 M C 0.200 176.512 176.300 0.020 0.000 1.165 254 M CA 0.399 55.727 55.300 0.046 0.000 1.046 254 M CB 1.668 34.246 32.600 -0.036 0.000 1.648 254 M HN 1.771 nan 8.290 nan 0.000 0.452 255 G N 2.337 111.163 108.800 0.044 0.000 2.907 255 G HA2 -0.137 3.828 3.960 0.008 0.000 0.686 255 G HA3 -0.137 3.828 3.960 0.008 0.000 0.686 255 G C -0.284 174.212 174.900 -0.673 0.000 1.115 255 G CA -0.366 44.617 45.100 -0.194 0.000 0.760 255 G HN 0.989 nan 8.290 nan 0.000 0.620 256 K N 0.643 120.463 120.400 -0.965 0.000 2.160 256 K HA -0.072 4.253 4.320 0.008 0.000 0.206 256 K C 2.409 178.577 176.600 -0.720 0.000 1.047 256 K CA 1.609 57.066 56.287 -1.383 0.000 0.930 256 K CB -0.105 31.991 32.500 -0.673 0.000 0.720 256 K HN 0.512 nan 8.250 nan 0.000 0.450 257 L N 0.983 121.965 121.223 -0.402 0.000 2.551 257 L HA -0.075 4.269 4.340 0.008 0.000 0.228 257 L C 1.070 177.848 176.870 -0.153 0.000 1.153 257 L CA 0.478 55.186 54.840 -0.220 0.000 0.851 257 L CB -0.142 41.818 42.059 -0.165 0.000 0.959 257 L HN 0.228 nan 8.230 nan 0.000 0.451 258 N N -1.186 117.419 118.700 -0.158 0.000 2.171 258 N HA 0.094 4.839 4.740 0.008 0.000 0.212 258 N C 0.019 175.612 175.510 0.138 0.000 1.184 258 N CA -0.118 52.917 53.050 -0.024 0.000 0.888 258 N CB 0.676 39.145 38.487 -0.031 0.000 1.038 258 N HN 0.012 nan 8.380 nan 0.000 0.517 259 F N 1.503 121.429 119.950 -0.040 0.000 2.607 259 F HA 0.220 4.752 4.527 0.009 0.000 0.374 259 F C 1.911 177.692 175.800 -0.031 0.000 1.104 259 F CA 0.648 58.629 58.000 -0.033 0.000 1.296 259 F CB -0.079 38.910 39.000 -0.017 0.000 1.085 259 F HN 0.293 nan 8.300 nan 0.000 0.584 260 G N 3.346 112.224 108.800 0.130 0.000 2.217 260 G HA2 -0.345 3.620 3.960 0.008 0.000 0.246 260 G HA3 -0.345 3.620 3.960 0.008 0.000 0.246 260 G C 1.376 176.293 174.900 0.030 0.000 0.990 260 G CA 0.132 45.266 45.100 0.055 0.000 0.627 260 G HN 0.602 nan 8.290 nan 0.000 0.522 261 R N 1.080 121.600 120.500 0.034 0.000 2.323 261 R HA 0.122 4.466 4.340 0.008 0.000 0.198 261 R C 2.676 178.972 176.300 -0.006 0.000 0.988 261 R CA 1.099 57.206 56.100 0.011 0.000 1.041 261 R CB -0.129 30.175 30.300 0.008 0.000 0.926 261 R HN 0.634 nan 8.270 nan 0.000 0.476 262 S N 0.809 116.493 115.700 -0.026 0.000 2.423 262 S HA -0.131 4.344 4.470 0.008 0.000 0.231 262 S C 1.631 176.212 174.600 -0.032 0.000 1.014 262 S CA 0.739 58.912 58.200 -0.044 0.000 0.965 262 S CB 0.022 63.174 63.200 -0.080 0.000 0.785 262 S HN 0.273 nan 8.310 nan 0.000 0.495 263 K N 1.218 121.606 120.400 -0.020 0.000 2.057 263 K HA -0.103 4.222 4.320 0.008 0.000 0.207 263 K C 2.401 178.992 176.600 -0.016 0.000 1.049 263 K CA 1.529 57.807 56.287 -0.016 0.000 0.931 263 K CB -0.204 32.295 32.500 -0.000 0.000 0.714 263 K HN 0.595 nan 8.250 nan 0.000 0.440 264 E N 0.497 120.696 120.200 -0.002 0.000 2.031 264 E HA -0.186 4.169 4.350 0.008 0.000 0.193 264 E C 2.001 178.608 176.600 0.012 0.000 0.994 264 E CA 1.973 58.377 56.400 0.008 0.000 0.800 264 E CB 0.033 29.741 29.700 0.013 0.000 0.752 264 E HN 0.403 nan 8.360 nan 0.000 0.447 265 T N -0.388 114.182 114.554 0.026 0.000 2.746 265 T HA -0.126 4.229 4.350 0.008 0.000 0.267 265 T C 2.101 176.779 174.700 -0.036 0.000 1.039 265 T CA 1.139 63.274 62.100 0.058 0.000 1.142 265 T CB -0.517 68.475 68.868 0.206 0.000 0.866 265 T HN 0.147 nan 8.240 nan 0.000 0.444 266 L N 0.919 122.066 121.223 -0.128 0.000 2.131 266 L HA 0.054 4.399 4.340 0.008 0.000 0.210 266 L C 3.303 180.019 176.870 -0.257 0.000 1.092 266 L CA 1.058 55.641 54.840 -0.429 0.000 0.759 266 L CB -0.735 40.976 42.059 -0.579 0.000 0.903 266 L HN 0.411 nan 8.230 nan 0.000 0.435 267 A N 0.119 122.885 122.820 -0.090 0.000 1.898 267 A HA -0.117 4.207 4.320 0.008 0.000 0.216 267 A C 2.239 179.825 177.584 0.003 0.000 1.181 267 A CA 1.141 53.171 52.037 -0.013 0.000 0.620 267 A CB -0.527 18.476 19.000 0.006 0.000 0.819 267 A HN 0.332 nan 8.150 nan 0.000 0.442 268 L N -0.586 120.649 121.223 0.019 0.000 2.056 268 L HA -0.158 4.187 4.340 0.008 0.000 0.207 268 L C 2.454 179.356 176.870 0.054 0.000 1.078 268 L CA 1.159 56.041 54.840 0.071 0.000 0.749 268 L CB -0.459 41.699 42.059 0.165 0.000 0.901 268 L HN 0.378 nan 8.230 nan 0.000 0.433 269 I N -0.397 120.215 120.570 0.070 0.000 2.252 269 I HA -0.282 3.893 4.170 0.008 0.000 0.245 269 I C 2.603 178.747 176.117 0.046 0.000 1.102 269 I CA 1.259 62.611 61.300 0.086 0.000 1.385 269 I CB -0.255 37.738 38.000 -0.011 0.000 1.064 269 I HN 0.317 nan 8.210 nan 0.000 0.414 270 E N 1.269 121.537 120.200 0.113 0.000 2.085 270 E HA -0.261 4.094 4.350 0.008 0.000 0.194 270 E C 2.253 178.877 176.600 0.041 0.000 0.994 270 E CA 1.390 57.908 56.400 0.197 0.000 0.801 270 E CB -0.004 29.852 29.700 0.260 0.000 0.743 270 E HN 0.494 nan 8.360 nan 0.000 0.453 271 A N 1.099 123.906 122.820 -0.021 0.000 1.898 271 A HA -0.078 4.247 4.320 0.008 0.000 0.216 271 A C 2.389 179.876 177.584 -0.162 0.000 1.181 271 A CA 1.721 53.715 52.037 -0.072 0.000 0.620 271 A CB -0.741 18.219 19.000 -0.067 0.000 0.819 271 A HN 0.406 nan 8.150 nan 0.000 0.442 272 A N -0.459 122.170 122.820 -0.319 0.000 1.933 272 A HA -0.115 4.210 4.320 0.008 0.000 0.218 272 A C 2.198 179.618 177.584 -0.274 0.000 1.175 272 A CA 1.735 53.464 52.037 -0.514 0.000 0.628 272 A CB -0.586 17.633 19.000 -1.303 0.000 0.814 272 A HN 0.541 nan 8.150 nan 0.000 0.444 273 M N -0.525 118.984 119.600 -0.151 0.000 2.358 273 M HA -0.127 4.357 4.480 0.008 0.000 0.264 273 M C 2.281 178.549 176.300 -0.053 0.000 1.064 273 M CA 1.192 56.455 55.300 -0.062 0.000 1.093 273 M CB -0.321 32.283 32.600 0.007 0.000 1.401 273 M HN 0.479 nan 8.290 nan 0.000 0.440 274 A N -1.036 121.748 122.820 -0.060 0.000 2.067 274 A HA -0.014 4.310 4.320 0.008 0.000 0.217 274 A C 2.194 179.747 177.584 -0.051 0.000 1.156 274 A CA 1.426 53.437 52.037 -0.044 0.000 0.683 274 A CB -0.194 18.784 19.000 -0.037 0.000 0.808 274 A HN 0.393 nan 8.150 nan 0.000 0.455 275 S N -1.371 114.283 115.700 -0.076 0.000 2.524 275 S HA 0.141 4.616 4.470 0.008 0.000 0.222 275 S C 0.633 175.195 174.600 -0.063 0.000 1.040 275 S CA 0.230 58.389 58.200 -0.068 0.000 0.915 275 S CB 0.174 63.325 63.200 -0.082 0.000 0.831 275 S HN 0.854 nan 8.310 nan 0.000 0.492 276 Q N -0.008 119.747 119.800 -0.075 0.000 2.626 276 Q HA 0.429 4.773 4.340 0.008 0.000 0.300 276 Q C -2.086 173.893 176.000 -0.035 0.000 0.988 276 Q CA -0.902 54.871 55.803 -0.050 0.000 0.761 276 Q CB 0.734 29.443 28.738 -0.050 0.000 1.494 276 Q HN -0.133 nan 8.270 nan 0.000 0.439 277 D N 1.263 121.656 120.400 -0.011 0.000 2.374 277 D HA 0.336 4.980 4.640 0.008 0.000 0.240 277 D C -1.233 175.079 176.300 0.019 0.000 1.229 277 D CA 0.117 54.116 54.000 -0.002 0.000 0.895 277 D CB 0.784 41.583 40.800 -0.001 0.000 1.046 277 D HN 0.365 nan 8.370 nan 0.000 0.498 278 V N 2.528 122.454 119.914 0.020 0.000 2.709 278 V HA 0.507 4.632 4.120 0.008 0.000 0.308 278 V C 0.065 176.183 176.094 0.040 0.000 1.062 278 V CA -0.685 61.652 62.300 0.061 0.000 0.901 278 V CB 2.209 34.090 31.823 0.097 0.000 1.003 278 V HN 0.470 nan 8.190 nan 0.000 0.425 279 S N 3.882 119.597 115.700 0.026 0.000 2.697 279 S HA 0.939 5.414 4.470 0.008 0.000 0.289 279 S C -0.993 173.618 174.600 0.018 0.000 1.149 279 S CA -0.745 57.452 58.200 -0.004 0.000 0.850 279 S CB 2.282 65.419 63.200 -0.104 0.000 1.151 279 S HN 0.906 nan 8.310 nan 0.000 0.491 280 L N -0.231 121.008 121.223 0.027 0.000 2.710 280 L HA 0.913 5.257 4.340 0.008 0.000 0.260 280 L C -2.282 174.621 176.870 0.056 0.000 0.993 280 L CA -1.008 53.854 54.840 0.036 0.000 0.877 280 L CB 2.069 44.147 42.059 0.032 0.000 1.461 280 L HN 0.717 nan 8.230 nan 0.000 0.413 281 D N 0.994 121.428 120.400 0.056 0.000 2.592 281 D HA 0.935 5.580 4.640 0.008 0.000 0.263 281 D C -0.887 175.426 176.300 0.022 0.000 1.132 281 D CA -0.247 53.789 54.000 0.061 0.000 0.996 281 D CB 2.191 43.060 40.800 0.116 0.000 1.442 281 D HN 1.116 nan 8.370 nan 0.000 0.486 282 A N -0.741 122.076 122.820 -0.004 0.000 2.601 282 A HA 0.618 4.943 4.320 0.008 0.000 0.291 282 A C -1.936 175.604 177.584 -0.072 0.000 1.075 282 A CA -1.183 50.789 52.037 -0.109 0.000 0.671 282 A CB 0.757 19.677 19.000 -0.134 0.000 1.277 282 A HN 0.802 nan 8.150 nan 0.000 0.417 283 Y N -0.664 119.634 120.300 -0.004 0.000 2.446 283 Y HA 0.778 5.334 4.550 0.010 0.000 0.338 283 Y C -2.307 173.622 175.900 0.048 0.000 1.055 283 Y CA -3.254 54.854 58.100 0.013 0.000 1.101 283 Y CB 0.947 39.432 38.460 0.042 0.000 1.221 283 Y HN 0.358 nan 8.280 nan 0.000 0.460 284 P HA 0.142 nan 4.420 nan 0.000 0.237 284 P C -1.614 175.599 177.300 -0.146 0.000 1.723 284 P CA 0.541 63.609 63.100 -0.053 0.000 0.882 284 P CB -0.725 30.928 31.700 -0.079 0.000 1.810 285 Y N -1.558 118.946 120.300 0.339 0.000 2.615 285 Y HA 0.220 4.776 4.550 0.010 0.000 0.341 285 Y C 1.336 177.426 175.900 0.318 0.000 1.089 285 Y CA -1.115 57.214 58.100 0.382 0.000 1.049 285 Y CB 1.607 40.365 38.460 0.496 0.000 1.296 285 Y HN -0.250 nan 8.280 nan 0.000 0.470 286 V N -1.572 118.605 119.914 0.438 0.000 3.596 286 V HA 0.714 4.839 4.120 0.008 0.000 0.289 286 V C 0.272 176.471 176.094 0.176 0.000 1.336 286 V CA 0.339 62.788 62.300 0.249 0.000 1.137 286 V CB -0.672 31.268 31.823 0.196 0.000 0.966 286 V HN 0.644 nan 8.190 nan 0.000 0.428 287 A N -0.185 122.757 122.820 0.202 0.000 2.386 287 A HA 0.919 5.244 4.320 0.008 0.000 0.311 287 A C 0.164 177.891 177.584 0.238 0.000 1.068 287 A CA 0.009 51.979 52.037 -0.112 0.000 0.743 287 A CB 1.429 19.768 19.000 -1.100 0.000 1.258 287 A HN 0.657 nan 8.150 nan 0.000 0.429 288 G N -0.422 108.485 108.800 0.178 0.000 2.552 288 G HA2 0.628 4.593 3.960 0.008 0.000 0.318 288 G HA3 0.628 4.593 3.960 0.008 0.000 0.318 288 G C -0.456 174.552 174.900 0.181 0.000 1.240 288 G CA -0.151 45.059 45.100 0.185 0.000 1.002 288 G HN 1.368 nan 8.290 nan 0.000 0.493 289 S N -1.852 113.919 115.700 0.118 0.000 2.543 289 S HA 0.701 5.176 4.470 0.008 0.000 0.273 289 S C -0.612 174.088 174.600 0.166 0.000 1.152 289 S CA 0.190 58.469 58.200 0.130 0.000 0.910 289 S CB 1.729 64.966 63.200 0.063 0.000 1.105 289 S HN 1.238 nan 8.310 nan 0.000 0.465 290 T N 2.676 117.369 114.554 0.232 0.000 2.676 290 T HA 0.391 4.746 4.350 0.008 0.000 0.294 290 T C -1.003 173.825 174.700 0.213 0.000 1.647 290 T CA -0.179 62.052 62.100 0.219 0.000 0.992 290 T CB 0.009 69.069 68.868 0.321 0.000 1.951 290 T HN 0.983 nan 8.240 nan 0.000 0.446 291 M N 1.863 121.574 119.600 0.185 0.000 2.250 291 M HA 0.528 5.013 4.480 0.008 0.000 0.325 291 M C -0.114 176.277 176.300 0.152 0.000 1.084 291 M CA -0.397 54.976 55.300 0.121 0.000 1.161 291 M CB -0.024 32.633 32.600 0.096 0.000 1.481 291 M HN 0.476 nan 8.290 nan 0.000 0.449 292 L N 2.877 124.090 121.223 -0.016 0.000 2.360 292 L HA 0.377 4.722 4.340 0.008 0.000 0.276 292 L C -0.490 176.423 176.870 0.072 0.000 1.121 292 L CA 0.899 55.764 54.840 0.040 0.000 0.845 292 L CB 0.149 42.129 42.059 -0.131 0.000 1.143 292 L HN 0.857 nan 8.230 nan 0.000 0.452 293 K N 3.403 123.885 120.400 0.138 0.000 2.469 293 K HA 0.341 4.665 4.320 0.008 0.000 0.254 293 K C -0.905 175.658 176.600 -0.062 0.000 0.939 293 K CA -0.666 55.627 56.287 0.011 0.000 0.812 293 K CB 1.526 34.026 32.500 0.001 0.000 1.301 293 K HN 0.614 nan 8.250 nan 0.000 0.433 294 Q N 2.658 122.354 119.800 -0.173 0.000 2.513 294 Q HA 0.029 4.374 4.340 0.008 0.000 0.227 294 Q C -1.274 174.627 176.000 -0.165 0.000 1.257 294 Q CA 0.418 55.999 55.803 -0.370 0.000 0.915 294 Q CB 0.338 28.724 28.738 -0.587 0.000 1.507 294 Q HN 0.358 nan 8.270 nan 0.000 0.543 295 D N 1.920 122.330 120.400 0.016 0.000 2.788 295 D HA 0.124 4.769 4.640 0.008 0.000 0.247 295 D C 0.634 177.068 176.300 0.223 0.000 1.236 295 D CA -0.447 53.636 54.000 0.138 0.000 0.898 295 D CB 1.006 41.829 40.800 0.038 0.000 1.401 295 D HN 0.273 nan 8.370 nan 0.000 0.549 296 R N 2.002 122.650 120.500 0.248 0.000 2.096 296 R HA -0.088 4.256 4.340 0.008 0.000 0.240 296 R C 1.826 178.160 176.300 0.056 0.000 1.139 296 R CA 1.158 57.325 56.100 0.110 0.000 0.952 296 R CB -0.699 29.584 30.300 -0.029 0.000 0.854 296 R HN 0.360 nan 8.270 nan 0.000 0.436 297 V N 1.599 121.535 119.914 0.036 0.000 2.323 297 V HA -0.174 3.951 4.120 0.008 0.000 0.244 297 V C 2.627 178.716 176.094 -0.009 0.000 1.041 297 V CA 1.386 63.685 62.300 -0.002 0.000 1.025 297 V CB -0.580 31.232 31.823 -0.017 0.000 0.656 297 V HN 0.186 nan 8.190 nan 0.000 0.451 298 L N -0.498 120.696 121.223 -0.049 0.000 2.079 298 L HA -0.170 4.174 4.340 0.008 0.000 0.210 298 L C 2.110 178.962 176.870 -0.029 0.000 1.081 298 L CA 1.594 56.309 54.840 -0.209 0.000 0.752 298 L CB -0.311 41.417 42.059 -0.552 0.000 0.896 298 L HN 0.333 nan 8.230 nan 0.000 0.433 299 L N -1.160 120.107 121.223 0.072 0.000 2.612 299 L HA 0.086 4.431 4.340 0.008 0.000 0.230 299 L C 2.437 179.387 176.870 0.133 0.000 1.140 299 L CA -0.019 54.928 54.840 0.178 0.000 0.896 299 L CB -0.399 41.773 42.059 0.188 0.000 1.065 299 L HN 0.129 nan 8.230 nan 0.000 0.447 300 A N 0.480 123.354 122.820 0.090 0.000 1.902 300 A HA 0.090 4.415 4.320 0.008 0.000 0.217 300 A C 1.539 179.162 177.584 0.066 0.000 1.181 300 A CA 1.462 53.532 52.037 0.054 0.000 0.623 300 A CB -0.558 18.448 19.000 0.010 0.000 0.818 300 A HN 0.392 nan 8.150 nan 0.000 0.443 301 G N -1.479 107.387 108.800 0.109 0.000 2.702 301 G HA2 0.454 4.419 3.960 0.008 0.000 0.254 301 G HA3 0.454 4.419 3.960 0.008 0.000 0.254 301 G C -0.140 174.834 174.900 0.124 0.000 1.380 301 G CA -0.806 44.364 45.100 0.115 0.000 1.042 301 G HN 0.452 nan 8.290 nan 0.000 0.557 302 R N -0.361 120.191 120.500 0.087 0.000 2.502 302 R HA 0.217 4.562 4.340 0.008 0.000 0.292 302 R C -0.896 175.507 176.300 0.172 0.000 0.998 302 R CA 0.667 56.778 56.100 0.018 0.000 1.056 302 R CB -0.221 29.923 30.300 -0.260 0.000 0.939 302 R HN 0.337 nan 8.270 nan 0.000 0.411 303 T N 6.071 120.680 114.554 0.090 0.000 2.879 303 T HA 0.401 4.756 4.350 0.008 0.000 0.290 303 T C -0.619 174.065 174.700 -0.026 0.000 0.993 303 T CA -0.639 61.496 62.100 0.058 0.000 0.975 303 T CB 1.122 70.038 68.868 0.080 0.000 0.981 303 T HN 0.417 nan 8.240 nan 0.000 0.439 304 L N 3.340 124.522 121.223 -0.068 0.000 2.346 304 L HA 0.602 4.947 4.340 0.008 0.000 0.274 304 L C -0.345 176.449 176.870 -0.127 0.000 1.007 304 L CA -1.373 53.428 54.840 -0.065 0.000 0.818 304 L CB 1.548 43.605 42.059 -0.004 0.000 1.284 304 L HN 0.397 nan 8.230 nan 0.000 0.424 305 I N 1.596 122.107 120.570 -0.098 0.000 2.441 305 I HA 0.074 4.248 4.170 0.008 0.000 0.287 305 I C 1.404 177.481 176.117 -0.066 0.000 1.049 305 I CA 0.187 61.411 61.300 -0.126 0.000 1.381 305 I CB 1.429 39.372 38.000 -0.096 0.000 1.409 305 I HN 0.773 nan 8.210 nan 0.000 0.523 306 T N 2.959 117.462 114.554 -0.085 0.000 3.031 306 T HA 0.089 4.444 4.350 0.008 0.000 0.254 306 T C 0.153 174.997 174.700 0.240 0.000 1.060 306 T CA 0.016 62.166 62.100 0.084 0.000 1.135 306 T CB 0.393 69.362 68.868 0.168 0.000 0.896 306 T HN 0.677 nan 8.240 nan 0.000 0.472 307 W N -0.858 120.454 121.300 0.020 0.000 3.161 307 W HA 0.628 5.292 4.660 0.008 0.000 0.314 307 W C -2.267 174.271 176.519 0.032 0.000 1.245 307 W CA -2.031 55.333 57.345 0.032 0.000 1.191 307 W CB 0.785 30.268 29.460 0.040 0.000 1.392 307 W HN 0.017 nan 8.180 nan 0.000 0.568 308 C N 3.746 123.180 119.300 0.224 0.000 2.607 308 C HA 0.332 4.797 4.460 0.008 0.000 0.350 308 C C 1.317 176.433 174.990 0.209 0.000 1.101 308 C CA -0.349 58.705 59.018 0.060 0.000 1.282 308 C CB 1.298 29.062 27.740 0.040 0.000 1.825 308 C HN 0.929 nan 8.230 nan 0.000 0.460 309 K N 4.674 125.207 120.400 0.222 0.000 1.984 309 K HA 0.015 4.340 4.320 0.008 0.000 0.209 309 K C -0.608 175.988 176.600 -0.006 0.000 1.046 309 K CA 1.887 58.277 56.287 0.172 0.000 0.934 309 K CB -0.336 32.283 32.500 0.198 0.000 0.717 309 K HN 0.711 nan 8.250 nan 0.000 0.438 310 P HA -0.132 nan 4.420 nan 0.000 0.221 310 P C -0.445 176.446 177.300 -0.682 0.000 1.150 310 P CA 1.268 64.097 63.100 -0.451 0.000 0.800 310 P CB 0.154 31.502 31.700 -0.587 0.000 0.787 311 Y N -1.465 118.853 120.300 0.029 0.000 2.592 311 Y HA 0.367 4.922 4.550 0.008 0.000 0.354 311 Y C -1.818 174.105 175.900 0.038 0.000 1.063 311 Y CA -2.509 55.605 58.100 0.024 0.000 1.205 311 Y CB 0.789 39.252 38.460 0.005 0.000 1.106 311 Y HN -0.077 nan 8.280 nan 0.000 0.649 312 P HA -0.243 nan 4.420 nan 0.000 0.217 312 P C 1.532 178.906 177.300 0.123 0.000 1.148 312 P CA 1.777 64.957 63.100 0.133 0.000 0.828 312 P CB 0.399 32.161 31.700 0.103 0.000 0.783 313 E N 0.315 120.586 120.200 0.119 0.000 2.333 313 E HA -0.148 4.207 4.350 0.008 0.000 0.198 313 E C 1.649 178.292 176.600 0.071 0.000 1.007 313 E CA 0.986 57.438 56.400 0.087 0.000 0.845 313 E CB -1.212 28.533 29.700 0.076 0.000 0.766 313 E HN 0.319 nan 8.360 nan 0.000 0.507 314 L N 1.367 122.640 121.223 0.083 0.000 2.465 314 L HA 0.026 4.370 4.340 0.008 0.000 0.224 314 L C 1.520 178.412 176.870 0.036 0.000 1.145 314 L CA 0.101 54.967 54.840 0.044 0.000 0.834 314 L CB -0.322 41.761 42.059 0.041 0.000 0.944 314 L HN -0.033 nan 8.230 nan 0.000 0.451 315 S N 0.309 116.048 115.700 0.066 0.000 2.596 315 S HA 0.230 4.705 4.470 0.008 0.000 0.298 315 S C 1.258 175.889 174.600 0.052 0.000 1.255 315 S CA 0.774 59.018 58.200 0.074 0.000 1.083 315 S CB 0.236 63.508 63.200 0.120 0.000 0.837 315 S HN 0.648 nan 8.310 nan 0.000 0.499 316 G N 4.911 113.733 108.800 0.037 0.000 2.213 316 G HA2 -0.213 3.751 3.960 0.008 0.000 0.236 316 G HA3 -0.213 3.751 3.960 0.008 0.000 0.236 316 G C 0.232 175.135 174.900 0.005 0.000 0.991 316 G CA 0.036 45.153 45.100 0.028 0.000 0.629 316 G HN 0.748 nan 8.290 nan 0.000 0.517 317 R N 0.845 121.342 120.500 -0.005 0.000 2.637 317 R HA 0.384 4.729 4.340 0.008 0.000 0.269 317 R C -0.413 175.867 176.300 -0.033 0.000 1.089 317 R CA -0.340 55.749 56.100 -0.019 0.000 1.177 317 R CB 0.521 30.809 30.300 -0.021 0.000 1.091 317 R HN 0.272 nan 8.270 nan 0.000 0.540 318 D N 1.841 122.217 120.400 -0.039 0.000 2.312 318 D HA -0.026 4.619 4.640 0.008 0.000 0.252 318 D C 0.847 177.123 176.300 -0.040 0.000 1.150 318 D CA -0.231 53.741 54.000 -0.046 0.000 0.870 318 D CB 1.309 42.077 40.800 -0.054 0.000 1.153 318 D HN 0.233 nan 8.370 nan 0.000 0.457 319 L N 4.838 126.039 121.223 -0.037 0.000 2.131 319 L HA -0.133 4.212 4.340 0.008 0.000 0.210 319 L C 2.030 178.889 176.870 -0.018 0.000 1.092 319 L CA 1.771 56.594 54.840 -0.028 0.000 0.759 319 L CB -0.516 41.533 42.059 -0.016 0.000 0.903 319 L HN 0.508 nan 8.230 nan 0.000 0.435 320 E N -0.015 120.177 120.200 -0.015 0.000 2.077 320 E HA -0.269 4.086 4.350 0.008 0.000 0.193 320 E C 2.127 178.714 176.600 -0.021 0.000 0.989 320 E CA 1.792 58.185 56.400 -0.011 0.000 0.800 320 E CB -0.201 29.489 29.700 -0.016 0.000 0.746 320 E HN 0.620 nan 8.360 nan 0.000 0.452 321 E N -0.332 119.850 120.200 -0.029 0.000 2.051 321 E HA -0.155 4.200 4.350 0.008 0.000 0.192 321 E C 2.156 178.734 176.600 -0.037 0.000 0.991 321 E CA 1.369 57.749 56.400 -0.033 0.000 0.799 321 E CB -0.151 29.528 29.700 -0.036 0.000 0.748 321 E HN 0.359 nan 8.360 nan 0.000 0.449 322 I N 0.780 121.325 120.570 -0.042 0.000 2.127 322 I HA -0.302 3.873 4.170 0.008 0.000 0.241 322 I C 2.566 178.652 176.117 -0.052 0.000 1.075 322 I CA 1.115 62.382 61.300 -0.055 0.000 1.334 322 I CB -0.390 37.573 38.000 -0.061 0.000 1.040 322 I HN 0.145 nan 8.210 nan 0.000 0.405 323 A N 0.821 123.621 122.820 -0.034 0.000 1.865 323 A HA -0.205 4.120 4.320 0.008 0.000 0.217 323 A C 2.567 180.139 177.584 -0.021 0.000 1.191 323 A CA 2.097 54.121 52.037 -0.022 0.000 0.623 323 A CB -1.044 17.955 19.000 -0.001 0.000 0.826 323 A HN 0.442 nan 8.150 nan 0.000 0.444 324 A N -0.283 122.526 122.820 -0.019 0.000 1.883 324 A HA -0.224 4.101 4.320 0.008 0.000 0.217 324 A C 1.892 179.462 177.584 -0.024 0.000 1.186 324 A CA 1.870 53.896 52.037 -0.018 0.000 0.624 324 A CB -0.638 18.351 19.000 -0.018 0.000 0.822 324 A HN 0.644 nan 8.150 nan 0.000 0.444 325 E N -0.851 119.330 120.200 -0.032 0.000 2.338 325 E HA -0.091 4.264 4.350 0.008 0.000 0.197 325 E C 1.838 178.412 176.600 -0.043 0.000 1.007 325 E CA 0.555 56.932 56.400 -0.037 0.000 0.849 325 E CB -0.038 29.636 29.700 -0.044 0.000 0.774 325 E HN 0.491 nan 8.360 nan 0.000 0.506 326 R N -0.515 119.957 120.500 -0.046 0.000 2.334 326 R HA 0.102 4.447 4.340 0.008 0.000 0.216 326 R C 0.719 177.001 176.300 -0.029 0.000 0.905 326 R CA 0.522 56.593 56.100 -0.049 0.000 1.064 326 R CB 0.742 31.003 30.300 -0.065 0.000 1.046 326 R HN 0.157 nan 8.270 nan 0.000 0.508 327 G N 2.238 111.024 108.800 -0.022 0.000 2.225 327 G HA2 -0.301 3.664 3.960 0.008 0.000 0.264 327 G HA3 -0.301 3.664 3.960 0.008 0.000 0.264 327 G C -0.295 174.603 174.900 -0.004 0.000 1.060 327 G CA 0.479 45.571 45.100 -0.012 0.000 0.833 327 G HN 0.286 nan 8.290 nan 0.000 0.498 328 K N -0.721 119.678 120.400 -0.002 0.000 2.522 328 K HA 0.662 4.987 4.320 0.008 0.000 0.275 328 K C 0.377 176.990 176.600 0.021 0.000 1.006 328 K CA -0.328 55.967 56.287 0.013 0.000 0.890 328 K CB 1.528 34.037 32.500 0.015 0.000 1.475 328 K HN 0.421 nan 8.250 nan 0.000 0.441 329 S N 0.085 115.811 115.700 0.043 0.000 2.614 329 S HA 0.176 4.650 4.470 0.008 0.000 0.265 329 S C 0.875 175.520 174.600 0.074 0.000 1.303 329 S CA -0.516 57.718 58.200 0.057 0.000 1.000 329 S CB 1.087 64.332 63.200 0.076 0.000 0.935 329 S HN 0.581 nan 8.310 nan 0.000 0.551 330 K N -0.010 120.438 120.400 0.079 0.000 2.044 330 K HA -0.192 4.133 4.320 0.008 0.000 0.210 330 K C 1.837 178.500 176.600 0.105 0.000 1.049 330 K CA 1.883 58.218 56.287 0.079 0.000 0.927 330 K CB -0.559 31.997 32.500 0.093 0.000 0.713 330 K HN 0.738 nan 8.250 nan 0.000 0.443 331 Y N 2.543 122.854 120.300 0.018 0.000 2.128 331 Y HA -0.269 4.286 4.550 0.008 0.000 0.284 331 Y C 1.804 177.709 175.900 0.010 0.000 1.154 331 Y CA 1.793 59.903 58.100 0.015 0.000 1.149 331 Y CB -0.098 38.367 38.460 0.008 0.000 0.976 331 Y HN 0.099 nan 8.280 nan 0.000 0.505 332 D N -0.981 119.539 120.400 0.201 0.000 2.224 332 D HA -0.136 4.509 4.640 0.008 0.000 0.205 332 D C 2.142 178.449 176.300 0.012 0.000 0.965 332 D CA 1.034 55.096 54.000 0.103 0.000 0.852 332 D CB -0.187 40.686 40.800 0.121 0.000 0.947 332 D HN 0.354 nan 8.370 nan 0.000 0.494 333 V N 0.289 120.207 119.914 0.006 0.000 3.129 333 V HA -0.103 4.022 4.120 0.008 0.000 0.259 333 V C 2.207 178.282 176.094 -0.031 0.000 1.116 333 V CA 0.519 62.811 62.300 -0.012 0.000 1.127 333 V CB 0.092 31.907 31.823 -0.013 0.000 0.742 333 V HN -0.053 nan 8.190 nan 0.000 0.474 334 V N 1.310 121.186 119.914 -0.062 0.000 2.252 334 V HA -0.189 3.935 4.120 0.008 0.000 0.249 334 V C 0.229 176.284 176.094 -0.066 0.000 1.056 334 V CA 2.939 65.193 62.300 -0.077 0.000 1.022 334 V CB -1.762 29.982 31.823 -0.132 0.000 0.641 334 V HN 0.521 nan 8.190 nan 0.000 0.445 335 P HA -0.219 nan 4.420 nan 0.000 0.215 335 P C 1.585 178.881 177.300 -0.007 0.000 1.157 335 P CA 1.883 64.954 63.100 -0.049 0.000 0.874 335 P CB -0.171 31.499 31.700 -0.050 0.000 0.790 336 E N -0.337 119.875 120.200 0.019 0.000 2.418 336 E HA -0.088 4.267 4.350 0.008 0.000 0.197 336 E C 1.451 178.146 176.600 0.157 0.000 1.026 336 E CA 0.741 57.190 56.400 0.081 0.000 0.862 336 E CB -0.807 28.945 29.700 0.086 0.000 0.799 336 E HN 0.288 nan 8.360 nan 0.000 0.518 337 L N 0.505 121.783 121.223 0.092 0.000 2.616 337 L HA 0.156 4.501 4.340 0.008 0.000 0.229 337 L C 0.975 177.852 176.870 0.011 0.000 1.110 337 L CA -0.128 54.782 54.840 0.117 0.000 0.884 337 L CB 0.036 42.121 42.059 0.045 0.000 1.115 337 L HN 0.056 nan 8.230 nan 0.000 0.481 338 Q N 1.945 121.732 119.800 -0.022 0.000 2.340 338 Q HA 0.238 4.582 4.340 0.008 0.000 0.249 338 Q C -2.086 173.895 176.000 -0.033 0.000 0.957 338 Q CA -1.786 53.983 55.803 -0.057 0.000 0.882 338 Q CB 0.689 29.396 28.738 -0.052 0.000 1.235 338 Q HN -0.024 nan 8.270 nan 0.000 0.439 339 P HA 0.348 nan 4.420 nan 0.000 0.278 339 P C -1.481 175.677 177.300 -0.236 0.000 1.238 339 P CA -0.105 62.977 63.100 -0.030 0.000 0.794 339 P CB 1.353 33.129 31.700 0.127 0.000 0.955 340 A N 1.630 124.090 122.820 -0.600 0.000 2.581 340 A HA 0.813 5.138 4.320 0.008 0.000 0.290 340 A C -0.744 175.998 177.584 -1.403 0.000 1.119 340 A CA -0.350 50.931 52.037 -1.260 0.000 0.670 340 A CB 1.297 19.942 19.000 -0.593 0.000 1.280 340 A HN 0.631 nan 8.150 nan 0.000 0.425 341 G N -1.436 106.364 108.800 -1.667 0.000 2.569 341 G HA2 0.918 4.883 3.960 0.008 0.000 0.300 341 G HA3 0.918 4.883 3.960 0.008 0.000 0.300 341 G C -0.549 174.068 174.900 -0.473 0.000 1.269 341 G CA 0.041 44.645 45.100 -0.825 0.000 0.959 341 G HN 2.092 nan 8.290 nan 0.000 0.478 342 A N -0.315 122.323 122.820 -0.305 0.000 2.599 342 A HA 0.792 5.117 4.320 0.008 0.000 0.290 342 A C -1.491 175.805 177.584 -0.480 0.000 1.101 342 A CA -0.606 51.169 52.037 -0.436 0.000 0.674 342 A CB 1.036 19.638 19.000 -0.663 0.000 1.277 342 A HN 0.700 nan 8.150 nan 0.000 0.419 343 I N 0.572 120.860 120.570 -0.469 0.000 2.433 343 I HA 0.459 4.634 4.170 0.008 0.000 0.292 343 I C -1.596 174.282 176.117 -0.398 0.000 1.001 343 I CA -0.428 60.693 61.300 -0.298 0.000 1.119 343 I CB 1.693 39.617 38.000 -0.126 0.000 1.289 343 I HN 0.604 nan 8.210 nan 0.000 0.438 344 Y N 5.401 125.685 120.300 -0.027 0.000 2.326 344 Y HA 0.389 4.944 4.550 0.008 0.000 0.331 344 Y C -0.508 175.364 175.900 -0.047 0.000 0.962 344 Y CA -0.718 57.401 58.100 0.031 0.000 1.167 344 Y CB 0.997 39.495 38.460 0.063 0.000 1.148 344 Y HN 0.329 nan 8.280 nan 0.000 0.463 345 F N 5.203 125.228 119.950 0.125 0.000 2.567 345 F HA 0.165 4.696 4.527 0.007 0.000 0.352 345 F C 0.418 176.306 175.800 0.146 0.000 1.229 345 F CA -0.655 57.393 58.000 0.079 0.000 1.228 345 F CB 0.291 39.270 39.000 -0.035 0.000 1.568 345 F HN 0.488 nan 8.300 nan 0.000 0.634 346 M N 0.002 119.760 119.600 0.263 0.000 2.504 346 M HA 0.438 4.923 4.480 0.008 0.000 0.370 346 M C -0.674 175.831 176.300 0.342 0.000 1.110 346 M CA 0.092 55.557 55.300 0.276 0.000 0.938 346 M CB -0.037 32.665 32.600 0.170 0.000 1.460 346 M HN 0.155 nan 8.290 nan 0.000 0.535 347 M N -0.101 119.638 119.600 0.230 0.000 2.777 347 M HA 0.593 5.078 4.480 0.008 0.000 0.307 347 M C -1.248 174.873 176.300 -0.298 0.000 1.228 347 M CA -0.594 54.733 55.300 0.046 0.000 0.871 347 M CB 2.137 34.744 32.600 0.012 0.000 1.721 347 M HN 0.044 nan 8.290 nan 0.000 0.487 348 D N 0.140 120.138 120.400 -0.670 0.000 2.375 348 D HA 0.190 4.835 4.640 0.008 0.000 0.247 348 D C 0.382 176.488 176.300 -0.324 0.000 1.061 348 D CA -0.163 53.383 54.000 -0.758 0.000 0.834 348 D CB 1.712 41.657 40.800 -1.424 0.000 1.247 348 D HN 0.601 nan 8.370 nan 0.000 0.489 349 E N 3.427 123.528 120.200 -0.165 0.000 2.086 349 E HA -0.158 4.197 4.350 0.008 0.000 0.200 349 E C -1.156 175.405 176.600 -0.065 0.000 1.012 349 E CA 1.984 58.356 56.400 -0.047 0.000 0.812 349 E CB -0.647 29.066 29.700 0.022 0.000 0.743 349 E HN 0.420 nan 8.360 nan 0.000 0.453 350 P HA -0.120 nan 4.420 nan 0.000 0.215 350 P C 0.664 177.912 177.300 -0.087 0.000 1.153 350 P CA 1.780 64.837 63.100 -0.072 0.000 0.853 350 P CB -0.033 31.626 31.700 -0.068 0.000 0.788 351 D N -0.973 119.350 120.400 -0.129 0.000 2.117 351 D HA -0.088 4.556 4.640 0.008 0.000 0.198 351 D C 2.040 178.263 176.300 -0.128 0.000 0.982 351 D CA 1.046 54.971 54.000 -0.124 0.000 0.828 351 D CB -0.585 40.124 40.800 -0.153 0.000 0.967 351 D HN -0.022 nan 8.370 nan 0.000 0.464 352 V N 1.342 121.174 119.914 -0.136 0.000 2.287 352 V HA -0.270 3.855 4.120 0.008 0.000 0.248 352 V C 2.550 178.542 176.094 -0.169 0.000 1.053 352 V CA 1.653 63.866 62.300 -0.146 0.000 1.027 352 V CB -0.560 31.203 31.823 -0.100 0.000 0.646 352 V HN 0.193 nan 8.190 nan 0.000 0.447 353 Q N -0.540 119.170 119.800 -0.149 0.000 2.084 353 Q HA -0.235 4.110 4.340 0.008 0.000 0.202 353 Q C 2.515 178.449 176.000 -0.109 0.000 0.978 353 Q CA 1.773 57.466 55.803 -0.183 0.000 0.844 353 Q CB -0.249 28.431 28.738 -0.098 0.000 0.898 353 Q HN 0.545 nan 8.270 nan 0.000 0.426 354 R N 0.683 121.146 120.500 -0.062 0.000 2.081 354 R HA -0.131 4.214 4.340 0.008 0.000 0.235 354 R C 2.092 178.417 176.300 0.041 0.000 1.131 354 R CA 1.199 57.294 56.100 -0.007 0.000 0.960 354 R CB -0.143 30.146 30.300 -0.017 0.000 0.856 354 R HN 0.232 nan 8.270 nan 0.000 0.436 355 I N 0.687 121.257 120.570 -0.000 0.000 2.252 355 I HA -0.276 3.898 4.170 0.008 0.000 0.245 355 I C 2.138 178.328 176.117 0.121 0.000 1.102 355 I CA 1.014 62.348 61.300 0.056 0.000 1.385 355 I CB -0.146 37.845 38.000 -0.014 0.000 1.064 355 I HN 0.230 nan 8.210 nan 0.000 0.414 356 L N 0.485 121.726 121.223 0.030 0.000 2.046 356 L HA -0.176 4.169 4.340 0.008 0.000 0.208 356 L C 2.769 179.808 176.870 0.281 0.000 1.077 356 L CA 1.335 56.227 54.840 0.086 0.000 0.747 356 L CB -0.629 41.380 42.059 -0.083 0.000 0.896 356 L HN 0.231 nan 8.230 nan 0.000 0.432 357 A N -0.370 122.580 122.820 0.216 0.000 2.014 357 A HA -0.155 4.170 4.320 0.008 0.000 0.218 357 A C 1.000 178.759 177.584 0.292 0.000 1.163 357 A CA -0.027 52.182 52.037 0.287 0.000 0.652 357 A CB -0.585 18.476 19.000 0.103 0.000 0.808 357 A HN 0.268 nan 8.150 nan 0.000 0.449 358 F N 1.886 121.903 119.950 0.111 0.000 2.580 358 F HA 0.297 4.824 4.527 0.001 0.000 0.398 358 F C 1.496 177.373 175.800 0.128 0.000 1.023 358 F CA -0.134 57.924 58.000 0.097 0.000 1.188 358 F CB -0.025 39.021 39.000 0.077 0.000 1.005 358 F HN 0.158 nan 8.300 nan 0.000 0.546 359 G N 6.337 114.930 108.800 -0.346 0.000 2.833 359 G HA2 -0.320 3.645 3.960 0.008 0.000 0.226 359 G HA3 -0.320 3.645 3.960 0.008 0.000 0.226 359 G C -0.808 174.043 174.900 -0.082 0.000 1.228 359 G CA 1.077 46.047 45.100 -0.217 0.000 0.779 359 G HN 0.629 nan 8.290 nan 0.000 0.651 360 P HA 0.093 nan 4.420 nan 0.000 0.228 360 P C 0.514 177.793 177.300 -0.036 0.000 1.151 360 P CA 0.696 63.728 63.100 -0.113 0.000 0.770 360 P CB -0.093 31.518 31.700 -0.149 0.000 0.786 361 T N 1.648 116.238 114.554 0.060 0.000 2.793 361 T HA 0.127 4.482 4.350 0.008 0.000 0.289 361 T C 0.572 175.264 174.700 -0.014 0.000 0.956 361 T CA 0.428 62.591 62.100 0.105 0.000 1.177 361 T CB -0.237 68.752 68.868 0.202 0.000 0.897 361 T HN -0.022 nan 8.240 nan 0.000 0.533 362 M N 3.340 122.926 119.600 -0.024 0.000 2.283 362 M HA 0.434 4.919 4.480 0.008 0.000 0.314 362 M C -0.007 176.296 176.300 0.006 0.000 1.153 362 M CA -0.915 54.356 55.300 -0.048 0.000 1.084 362 M CB 0.753 33.358 32.600 0.010 0.000 1.468 362 M HN 0.264 nan 8.290 nan 0.000 0.474 363 I N 1.374 121.957 120.570 0.021 0.000 2.331 363 I HA 0.496 4.671 4.170 0.008 0.000 0.292 363 I C 0.403 176.587 176.117 0.110 0.000 0.998 363 I CA -0.216 61.091 61.300 0.011 0.000 1.267 363 I CB 0.408 38.373 38.000 -0.058 0.000 1.386 363 I HN 0.754 nan 8.210 nan 0.000 0.476 364 G N 2.942 111.779 108.800 0.060 0.000 2.687 364 G HA2 0.403 4.368 3.960 0.008 0.000 0.301 364 G HA3 0.403 4.368 3.960 0.008 0.000 0.301 364 G C 0.475 175.435 174.900 0.100 0.000 1.416 364 G CA -0.141 45.057 45.100 0.164 0.000 1.005 364 G HN 0.615 nan 8.290 nan 0.000 0.509 365 S N 1.466 117.217 115.700 0.086 0.000 2.387 365 S HA -0.046 4.429 4.470 0.008 0.000 0.226 365 S C 1.180 175.765 174.600 -0.026 0.000 1.026 365 S CA 1.339 59.534 58.200 -0.009 0.000 0.972 365 S CB -0.116 63.096 63.200 0.019 0.000 0.814 365 S HN 0.800 nan 8.310 nan 0.000 0.477 366 D N 1.280 121.754 120.400 0.124 0.000 2.945 366 D HA -0.101 4.544 4.640 0.008 0.000 0.225 366 D C 0.251 176.566 176.300 0.026 0.000 1.158 366 D CA 1.003 55.132 54.000 0.215 0.000 0.805 366 D CB -1.651 39.220 40.800 0.119 0.000 1.098 366 D HN 0.699 nan 8.370 nan 0.000 0.426 367 G N 0.168 108.940 108.800 -0.046 0.000 2.441 367 G HA2 0.420 4.385 3.960 0.008 0.000 0.243 367 G HA3 0.420 4.385 3.960 0.008 0.000 0.243 367 G C 0.394 175.274 174.900 -0.033 0.000 1.281 367 G CA -0.437 44.595 45.100 -0.114 0.000 0.854 367 G HN 0.312 nan 8.290 nan 0.000 0.560 368 L N 4.451 125.643 121.223 -0.051 0.000 2.387 368 L HA 0.251 4.596 4.340 0.008 0.000 0.259 368 L C -1.212 175.591 176.870 -0.113 0.000 1.050 368 L CA -1.669 53.166 54.840 -0.008 0.000 0.922 368 L CB 2.214 44.306 42.059 0.056 0.000 1.280 368 L HN 0.475 nan 8.230 nan 0.000 0.449 369 P HA -0.173 nan 4.420 nan 0.000 0.221 369 P C 0.762 177.776 177.300 -0.476 0.000 1.145 369 P CA 1.444 64.157 63.100 -0.645 0.000 0.795 369 P CB 0.189 31.104 31.700 -1.308 0.000 0.775 370 H N -1.557 117.479 119.070 -0.057 0.000 2.553 370 H HA 0.138 4.699 4.556 0.008 0.000 0.265 370 H C 0.206 175.482 175.328 -0.086 0.000 0.964 370 H CA -0.274 55.764 56.048 -0.017 0.000 1.156 370 H CB -0.395 29.337 29.762 -0.049 0.000 1.411 370 H HN 0.099 nan 8.280 nan 0.000 0.558 371 D N 0.872 121.291 120.400 0.032 0.000 2.458 371 D HA -0.060 4.584 4.640 0.008 0.000 0.243 371 D C 1.473 177.847 176.300 0.124 0.000 1.146 371 D CA 0.206 54.267 54.000 0.100 0.000 0.877 371 D CB 1.071 41.997 40.800 0.209 0.000 1.176 371 D HN 0.320 nan 8.370 nan 0.000 0.461 372 E N 2.106 122.407 120.200 0.169 0.000 2.051 372 E HA -0.154 4.200 4.350 0.008 0.000 0.192 372 E C 0.024 176.702 176.600 0.129 0.000 0.991 372 E CA 1.265 57.752 56.400 0.145 0.000 0.799 372 E CB 0.367 30.172 29.700 0.175 0.000 0.748 372 E HN 0.130 nan 8.360 nan 0.000 0.449 373 R N 1.140 121.730 120.500 0.149 0.000 2.477 373 R HA 0.326 4.671 4.340 0.008 0.000 0.285 373 R C -2.432 173.942 176.300 0.124 0.000 1.415 373 R CA -2.210 53.958 56.100 0.112 0.000 1.446 373 R CB 0.861 31.218 30.300 0.095 0.000 1.110 373 R HN 0.294 nan 8.270 nan 0.000 0.590 374 P HA 0.005 nan 4.420 nan 0.000 0.274 374 P C -0.318 177.049 177.300 0.111 0.000 1.246 374 P CA -0.285 62.890 63.100 0.125 0.000 0.795 374 P CB 0.796 32.569 31.700 0.122 0.000 1.006 375 H N 3.051 122.104 119.070 -0.028 0.000 2.764 375 H HA 0.089 4.649 4.556 0.007 0.000 0.341 375 H C -1.357 173.820 175.328 -0.251 0.000 1.072 375 H CA -1.753 54.222 56.048 -0.122 0.000 1.444 375 H CB 0.684 30.330 29.762 -0.192 0.000 1.458 375 H HN 0.237 nan 8.280 nan 0.000 0.572 376 P HA -0.181 nan 4.420 nan 0.000 0.223 376 P C 1.100 178.308 177.300 -0.155 0.000 1.144 376 P CA 0.985 63.969 63.100 -0.193 0.000 0.783 376 P CB 0.035 31.480 31.700 -0.425 0.000 0.771 377 R N 0.047 120.319 120.500 -0.380 0.000 2.159 377 R HA -0.119 4.226 4.340 0.008 0.000 0.237 377 R C 2.160 178.357 176.300 -0.171 0.000 1.131 377 R CA 1.005 56.803 56.100 -0.503 0.000 0.982 377 R CB -1.649 28.089 30.300 -0.937 0.000 0.868 377 R HN 0.158 nan 8.270 nan 0.000 0.453 378 L N -0.107 121.039 121.223 -0.128 0.000 2.127 378 L HA -0.069 4.275 4.340 0.008 0.000 0.211 378 L C 1.009 177.761 176.870 -0.196 0.000 1.089 378 L CA 1.625 56.374 54.840 -0.152 0.000 0.757 378 L CB -0.243 41.752 42.059 -0.107 0.000 0.899 378 L HN 0.240 nan 8.230 nan 0.000 0.434 379 W N -2.021 119.231 121.300 -0.081 0.000 2.975 379 W HA 0.433 5.097 4.660 0.007 0.000 0.316 379 W C 1.839 178.364 176.519 0.010 0.000 1.131 379 W CA 0.304 57.622 57.345 -0.045 0.000 1.624 379 W CB 0.234 29.662 29.460 -0.052 0.000 1.038 379 W HN 0.122 nan 8.180 nan 0.000 0.571 380 G N -1.166 107.778 108.800 0.240 0.000 3.342 380 G HA2 0.036 4.001 3.960 0.008 0.000 0.252 380 G HA3 0.036 4.001 3.960 0.008 0.000 0.252 380 G C 1.126 176.142 174.900 0.193 0.000 1.011 380 G CA 0.424 45.657 45.100 0.222 0.000 0.869 380 G HN -0.079 nan 8.290 nan 0.000 0.514 381 T N 1.435 116.075 114.554 0.143 0.000 2.570 381 T HA -0.200 4.154 4.350 0.008 0.000 0.266 381 T C 1.927 176.447 174.700 -0.301 0.000 1.071 381 T CA 1.691 63.752 62.100 -0.064 0.000 1.172 381 T CB -0.353 68.300 68.868 -0.359 0.000 0.864 381 T HN 0.227 nan 8.240 nan 0.000 0.421 382 F N 1.075 121.030 119.950 0.007 0.000 2.113 382 F HA 0.068 4.600 4.527 0.008 0.000 0.297 382 F C -0.511 175.201 175.800 -0.147 0.000 1.103 382 F CA 0.581 58.498 58.000 -0.139 0.000 1.248 382 F CB -1.776 37.102 39.000 -0.203 0.000 0.999 382 F HN 0.219 nan 8.300 nan 0.000 0.475 383 P HA -0.121 nan 4.420 nan 0.000 0.221 383 P C 1.417 178.748 177.300 0.051 0.000 1.150 383 P CA 1.281 64.411 63.100 0.050 0.000 0.800 383 P CB -0.093 31.669 31.700 0.104 0.000 0.787 384 R N -0.183 120.346 120.500 0.049 0.000 2.092 384 R HA -0.075 4.269 4.340 0.008 0.000 0.231 384 R C 1.718 178.120 176.300 0.170 0.000 1.119 384 R CA 1.216 57.350 56.100 0.056 0.000 0.970 384 R CB -0.645 29.631 30.300 -0.040 0.000 0.864 384 R HN 0.017 nan 8.270 nan 0.000 0.440 385 V N 1.042 121.040 119.914 0.140 0.000 2.379 385 V HA -0.194 3.931 4.120 0.008 0.000 0.245 385 V C 2.241 178.479 176.094 0.240 0.000 1.044 385 V CA 1.449 63.900 62.300 0.251 0.000 1.036 385 V CB -0.260 31.603 31.823 0.066 0.000 0.664 385 V HN 0.321 nan 8.190 nan 0.000 0.453 386 L N -0.136 121.129 121.223 0.070 0.000 2.109 386 L HA 0.030 4.375 4.340 0.008 0.000 0.207 386 L C 2.373 179.320 176.870 0.128 0.000 1.086 386 L CA 1.619 56.491 54.840 0.052 0.000 0.760 386 L CB -0.925 41.043 42.059 -0.151 0.000 0.910 386 L HN 0.458 nan 8.230 nan 0.000 0.437 387 G N -1.453 107.414 108.800 0.112 0.000 2.695 387 G HA2 -0.199 3.766 3.960 0.008 0.000 0.219 387 G HA3 -0.199 3.766 3.960 0.008 0.000 0.219 387 G C 1.246 176.199 174.900 0.089 0.000 1.295 387 G CA 0.549 45.718 45.100 0.116 0.000 0.882 387 G HN 0.266 nan 8.290 nan 0.000 0.570 388 H N -0.229 118.809 119.070 -0.053 0.000 2.265 388 H HA -0.152 4.410 4.556 0.011 0.000 0.293 388 H C 2.304 177.483 175.328 -0.248 0.000 1.089 388 H CA 2.270 58.197 56.048 -0.201 0.000 1.244 388 H CB -0.394 29.146 29.762 -0.371 0.000 1.355 388 H HN 0.380 nan 8.280 nan 0.000 0.485 389 Y N -0.750 119.481 120.300 -0.115 0.000 2.206 389 Y HA -0.077 4.476 4.550 0.006 0.000 0.292 389 Y C 3.252 179.040 175.900 -0.187 0.000 1.123 389 Y CA 1.356 59.313 58.100 -0.238 0.000 1.142 389 Y CB -0.811 37.575 38.460 -0.123 0.000 1.006 389 Y HN 0.263 nan 8.280 nan 0.000 0.518 390 S N -0.174 115.670 115.700 0.240 0.000 2.329 390 S HA -0.157 4.318 4.470 0.008 0.000 0.215 390 S C 2.298 176.974 174.600 0.126 0.000 1.031 390 S CA 1.262 59.631 58.200 0.281 0.000 0.985 390 S CB -0.235 63.218 63.200 0.421 0.000 0.917 390 S HN 0.383 nan 8.310 nan 0.000 0.441 391 R N 0.383 120.949 120.500 0.111 0.000 2.061 391 R HA -0.074 4.271 4.340 0.008 0.000 0.230 391 R C 1.721 178.029 176.300 0.013 0.000 1.140 391 R CA 2.028 58.173 56.100 0.076 0.000 0.940 391 R CB -0.545 29.815 30.300 0.100 0.000 0.839 391 R HN 0.403 nan 8.270 nan 0.000 0.429 392 D N 0.382 120.761 120.400 -0.035 0.000 2.123 392 D HA -0.097 4.548 4.640 0.008 0.000 0.200 392 D C 1.888 178.104 176.300 -0.139 0.000 0.976 392 D CA 1.090 55.041 54.000 -0.081 0.000 0.831 392 D CB 0.060 40.807 40.800 -0.089 0.000 0.974 392 D HN 0.306 nan 8.370 nan 0.000 0.469 393 L N -0.555 120.534 121.223 -0.224 0.000 2.554 393 L HA 0.224 4.568 4.340 0.008 0.000 0.225 393 L C 1.228 178.020 176.870 -0.131 0.000 1.104 393 L CA 0.270 54.987 54.840 -0.205 0.000 0.866 393 L CB 0.114 41.991 42.059 -0.303 0.000 1.047 393 L HN 0.065 nan 8.230 nan 0.000 0.468 394 G N 1.141 109.881 108.800 -0.101 0.000 2.249 394 G HA2 -0.317 3.647 3.960 0.008 0.000 0.273 394 G HA3 -0.317 3.647 3.960 0.008 0.000 0.273 394 G C 0.764 175.585 174.900 -0.132 0.000 1.036 394 G CA 0.539 45.600 45.100 -0.064 0.000 0.824 394 G HN 0.274 nan 8.290 nan 0.000 0.504 395 L N -0.820 120.220 121.223 -0.305 0.000 2.191 395 L HA 0.359 4.704 4.340 0.008 0.000 0.212 395 L C 0.916 177.456 176.870 -0.550 0.000 1.103 395 L CA 2.124 56.627 54.840 -0.562 0.000 0.769 395 L CB -0.303 41.175 42.059 -0.968 0.000 0.908 395 L HN 0.704 nan 8.230 nan 0.000 0.438 396 F N -3.929 116.048 119.950 0.046 0.000 2.744 396 F HA 0.583 5.115 4.527 0.008 0.000 0.311 396 F C -2.836 172.994 175.800 0.051 0.000 1.144 396 F CA -3.134 54.893 58.000 0.044 0.000 0.938 396 F CB -0.503 38.529 39.000 0.054 0.000 1.292 396 F HN -0.358 nan 8.300 nan 0.000 0.444 397 P HA 0.100 nan 4.420 nan 0.000 0.272 397 P C 0.780 178.203 177.300 0.206 0.000 1.230 397 P CA -0.277 62.940 63.100 0.196 0.000 0.788 397 P CB 1.409 33.178 31.700 0.115 0.000 0.949 398 L N 1.884 123.215 121.223 0.180 0.000 2.042 398 L HA -0.206 4.138 4.340 0.008 0.000 0.210 398 L C 2.380 179.343 176.870 0.155 0.000 1.076 398 L CA 1.995 56.949 54.840 0.189 0.000 0.749 398 L CB -1.313 40.874 42.059 0.213 0.000 0.893 398 L HN 0.479 nan 8.230 nan 0.000 0.432 399 E N -2.043 118.232 120.200 0.126 0.000 2.204 399 E HA -0.195 4.160 4.350 0.008 0.000 0.195 399 E C 1.727 178.393 176.600 0.110 0.000 0.990 399 E CA 1.769 58.238 56.400 0.115 0.000 0.821 399 E CB -0.907 28.833 29.700 0.067 0.000 0.750 399 E HN 0.485 nan 8.360 nan 0.000 0.477 400 T N 1.138 115.731 114.554 0.064 0.000 2.896 400 T HA 0.147 4.501 4.350 0.008 0.000 0.263 400 T C 2.005 176.675 174.700 -0.050 0.000 1.050 400 T CA 1.225 63.355 62.100 0.050 0.000 1.140 400 T CB -0.134 68.741 68.868 0.012 0.000 0.877 400 T HN 0.400 nan 8.240 nan 0.000 0.457 401 A N 1.074 123.764 122.820 -0.216 0.000 1.902 401 A HA -0.030 4.295 4.320 0.008 0.000 0.217 401 A C 2.526 180.013 177.584 -0.162 0.000 1.181 401 A CA 1.211 52.997 52.037 -0.419 0.000 0.623 401 A CB -0.967 17.906 19.000 -0.212 0.000 0.818 401 A HN 0.341 nan 8.150 nan 0.000 0.443 402 V N -2.038 117.882 119.914 0.011 0.000 2.358 402 V HA -0.240 3.885 4.120 0.008 0.000 0.246 402 V C 2.182 178.356 176.094 0.134 0.000 1.047 402 V CA 1.808 64.162 62.300 0.089 0.000 1.035 402 V CB -0.939 31.030 31.823 0.243 0.000 0.658 402 V HN 0.882 nan 8.190 nan 0.000 0.452 403 W N 1.557 122.845 121.300 -0.021 0.000 2.338 403 W HA -0.222 4.443 4.660 0.008 0.000 0.304 403 W C 2.287 178.791 176.519 -0.024 0.000 1.212 403 W CA 1.816 59.155 57.345 -0.010 0.000 1.264 403 W CB -0.186 29.255 29.460 -0.031 0.000 1.142 403 W HN 0.096 nan 8.180 nan 0.000 0.512 404 K N -0.180 120.143 120.400 -0.129 0.000 2.442 404 K HA -0.124 4.201 4.320 0.008 0.000 0.198 404 K C 1.544 178.012 176.600 -0.220 0.000 1.044 404 K CA 1.459 57.547 56.287 -0.330 0.000 0.948 404 K CB -0.362 31.997 32.500 -0.235 0.000 0.762 404 K HN 0.432 nan 8.250 nan 0.000 0.472 405 M N -2.675 116.853 119.600 -0.121 0.000 2.414 405 M HA 0.190 4.675 4.480 0.008 0.000 0.357 405 M C 0.619 176.943 176.300 0.039 0.000 1.059 405 M CA -0.208 55.091 55.300 -0.002 0.000 0.959 405 M CB 0.848 33.460 32.600 0.020 0.000 1.522 405 M HN -0.082 nan 8.290 nan 0.000 0.551 406 T N -3.547 111.004 114.554 -0.005 0.000 3.359 406 T HA 0.377 4.732 4.350 0.008 0.000 0.160 406 T C 1.690 176.394 174.700 0.007 0.000 0.924 406 T CA 0.684 62.823 62.100 0.066 0.000 0.951 406 T CB -0.756 68.215 68.868 0.171 0.000 1.404 406 T HN 0.172 nan 8.240 nan 0.000 0.309 407 G N 1.675 110.487 108.800 0.021 0.000 2.440 407 G HA2 -0.086 3.879 3.960 0.008 0.000 0.218 407 G HA3 -0.086 3.879 3.960 0.008 0.000 0.218 407 G C 1.529 176.356 174.900 -0.121 0.000 1.154 407 G CA 1.331 46.465 45.100 0.057 0.000 0.767 407 G HN 0.488 nan 8.290 nan 0.000 0.552 408 L N 0.984 121.837 121.223 -0.617 0.000 1.994 408 L HA -0.019 4.326 4.340 0.008 0.000 0.208 408 L C 2.905 179.609 176.870 -0.277 0.000 1.071 408 L CA 2.836 57.258 54.840 -0.696 0.000 0.745 408 L CB -1.131 40.036 42.059 -1.486 0.000 0.892 408 L HN 0.198 nan 8.230 nan 0.000 0.431 409 T N 0.150 114.592 114.554 -0.187 0.000 2.746 409 T HA -0.156 4.199 4.350 0.008 0.000 0.267 409 T C 1.932 176.728 174.700 0.160 0.000 1.039 409 T CA 1.400 63.535 62.100 0.057 0.000 1.142 409 T CB -0.697 68.223 68.868 0.085 0.000 0.866 409 T HN 0.535 nan 8.240 nan 0.000 0.444 410 A N 1.526 124.400 122.820 0.090 0.000 1.908 410 A HA 0.119 4.444 4.320 0.008 0.000 0.218 410 A C 2.657 180.308 177.584 0.113 0.000 1.181 410 A CA 1.901 54.009 52.037 0.119 0.000 0.627 410 A CB -1.129 17.942 19.000 0.118 0.000 0.818 410 A HN 0.522 nan 8.150 nan 0.000 0.445 411 A N -0.390 122.473 122.820 0.072 0.000 1.873 411 A HA -0.119 4.206 4.320 0.008 0.000 0.215 411 A C 2.055 179.644 177.584 0.009 0.000 1.186 411 A CA 1.772 53.842 52.037 0.055 0.000 0.616 411 A CB -0.336 18.699 19.000 0.059 0.000 0.823 411 A HN 0.328 nan 8.150 nan 0.000 0.442 412 K N -0.856 119.514 120.400 -0.050 0.000 2.148 412 K HA -0.026 4.299 4.320 0.008 0.000 0.204 412 K C 1.098 177.509 176.600 -0.316 0.000 1.050 412 K CA 1.052 57.219 56.287 -0.201 0.000 0.942 412 K CB -0.515 31.797 32.500 -0.314 0.000 0.724 412 K HN 0.566 nan 8.250 nan 0.000 0.446 413 F N 0.089 120.038 119.950 -0.002 0.000 2.727 413 F HA 0.216 4.748 4.527 0.008 0.000 0.302 413 F C 1.140 176.945 175.800 0.008 0.000 1.097 413 F CA 0.280 58.282 58.000 0.003 0.000 1.330 413 F CB 0.110 39.108 39.000 -0.005 0.000 1.084 413 F HN 0.167 nan 8.300 nan 0.000 0.578 414 G N 1.513 110.388 108.800 0.125 0.000 2.246 414 G HA2 -0.301 3.664 3.960 0.008 0.000 0.273 414 G HA3 -0.301 3.664 3.960 0.008 0.000 0.273 414 G C 0.028 174.982 174.900 0.089 0.000 1.055 414 G CA -0.242 44.911 45.100 0.089 0.000 0.851 414 G HN 0.314 nan 8.290 nan 0.000 0.500 415 L N 0.699 121.982 121.223 0.101 0.000 2.356 415 L HA 0.549 4.894 4.340 0.008 0.000 0.282 415 L C 1.260 178.157 176.870 0.044 0.000 1.132 415 L CA -0.182 54.697 54.840 0.065 0.000 0.923 415 L CB 0.471 42.567 42.059 0.062 0.000 1.278 415 L HN 0.410 nan 8.230 nan 0.000 0.436 416 A N 2.905 125.738 122.820 0.023 0.000 2.511 416 A HA 0.144 4.468 4.320 0.008 0.000 0.242 416 A C 1.000 178.531 177.584 -0.089 0.000 1.069 416 A CA 0.044 52.062 52.037 -0.031 0.000 0.763 416 A CB -0.102 18.887 19.000 -0.019 0.000 1.001 416 A HN 0.908 nan 8.150 nan 0.000 0.498 417 E N -0.380 119.577 120.200 -0.404 0.000 2.791 417 E HA -0.221 4.134 4.350 0.008 0.000 0.271 417 E C -0.078 176.350 176.600 -0.287 0.000 1.044 417 E CA 1.241 57.100 56.400 -0.901 0.000 0.814 417 E CB -1.203 28.157 29.700 -0.566 0.000 1.400 417 E HN 0.757 nan 8.360 nan 0.000 0.423 418 R N -1.441 119.067 120.500 0.013 0.000 2.855 418 R HA 0.547 4.891 4.340 0.008 0.000 0.266 418 R C 0.870 177.335 176.300 0.275 0.000 1.034 418 R CA -0.298 55.933 56.100 0.217 0.000 0.944 418 R CB 1.666 32.040 30.300 0.123 0.000 1.219 418 R HN 0.130 nan 8.270 nan 0.000 0.474 419 G N 0.423 109.360 108.800 0.228 0.000 2.176 419 G HA2 -0.275 3.690 3.960 0.008 0.000 0.253 419 G HA3 -0.275 3.690 3.960 0.008 0.000 0.253 419 G C -0.204 174.815 174.900 0.198 0.000 0.979 419 G CA 0.061 45.275 45.100 0.190 0.000 0.641 419 G HN 0.431 nan 8.290 nan 0.000 0.530 420 Q N -0.953 118.980 119.800 0.220 0.000 2.345 420 Q HA 0.543 4.888 4.340 0.008 0.000 0.275 420 Q C -0.673 175.312 176.000 -0.026 0.000 1.063 420 Q CA -0.940 54.895 55.803 0.052 0.000 0.819 420 Q CB 3.022 31.683 28.738 -0.129 0.000 1.356 420 Q HN 0.159 nan 8.270 nan 0.000 0.418 421 V N 3.400 123.287 119.914 -0.044 0.000 2.276 421 V HA 0.170 4.294 4.120 0.008 0.000 0.249 421 V C -0.360 175.642 176.094 -0.154 0.000 1.160 421 V CA 0.041 62.306 62.300 -0.058 0.000 1.042 421 V CB -0.017 31.793 31.823 -0.021 0.000 1.224 421 V HN 0.561 nan 8.190 nan 0.000 0.496 422 Q N 4.532 124.184 119.800 -0.247 0.000 2.359 422 Q HA 0.443 4.787 4.340 0.008 0.000 0.274 422 Q C -2.841 173.054 176.000 -0.176 0.000 1.074 422 Q CA -2.233 53.380 55.803 -0.317 0.000 0.810 422 Q CB 2.819 31.129 28.738 -0.714 0.000 1.342 422 Q HN 0.260 nan 8.270 nan 0.000 0.427 423 P HA 0.071 nan 4.420 nan 0.000 0.264 423 P C 0.703 178.002 177.300 -0.002 0.000 1.193 423 P CA 1.215 64.269 63.100 -0.077 0.000 0.763 423 P CB 0.446 32.105 31.700 -0.069 0.000 0.810 424 G N 1.252 110.049 108.800 -0.005 0.000 2.258 424 G HA2 -0.250 3.715 3.960 0.008 0.000 0.233 424 G HA3 -0.250 3.715 3.960 0.008 0.000 0.233 424 G C -0.074 174.847 174.900 0.035 0.000 1.006 424 G CA -0.436 44.674 45.100 0.017 0.000 0.620 424 G HN 0.383 nan 8.290 nan 0.000 0.511 425 Y N 0.445 120.658 120.300 -0.145 0.000 2.299 425 Y HA 0.612 5.167 4.550 0.008 0.000 0.335 425 Y C 1.106 176.913 175.900 -0.154 0.000 1.287 425 Y CA -1.320 56.699 58.100 -0.135 0.000 1.424 425 Y CB 0.056 38.499 38.460 -0.028 0.000 1.326 425 Y HN 0.193 nan 8.280 nan 0.000 0.567 426 Y N -0.113 120.235 120.300 0.080 0.000 2.480 426 Y HA 0.269 4.823 4.550 0.008 0.000 0.338 426 Y C 0.653 176.589 175.900 0.059 0.000 1.220 426 Y CA -0.221 57.903 58.100 0.040 0.000 1.430 426 Y CB 0.427 38.894 38.460 0.012 0.000 1.311 426 Y HN 0.606 nan 8.280 nan 0.000 0.575 427 A N 3.084 126.029 122.820 0.208 0.000 3.077 427 A HA 0.152 4.477 4.320 0.008 0.000 0.255 427 A C -0.714 176.966 177.584 0.159 0.000 1.728 427 A CA -0.509 51.602 52.037 0.123 0.000 1.383 427 A CB -1.109 17.925 19.000 0.056 0.000 1.097 427 A HN 0.581 nan 8.150 nan 0.000 0.634 428 D N 1.137 121.629 120.400 0.153 0.000 2.359 428 D HA 0.586 5.231 4.640 0.008 0.000 0.230 428 D C -0.261 176.102 176.300 0.105 0.000 1.118 428 D CA 0.471 54.543 54.000 0.119 0.000 0.844 428 D CB 1.189 42.033 40.800 0.075 0.000 1.059 428 D HN 0.370 nan 8.370 nan 0.000 0.493 429 L N 1.038 122.348 121.223 0.145 0.000 2.415 429 L HA 0.640 4.985 4.340 0.008 0.000 0.256 429 L C -0.732 176.229 176.870 0.152 0.000 1.010 429 L CA -1.136 53.782 54.840 0.131 0.000 0.826 429 L CB 2.407 44.537 42.059 0.118 0.000 1.405 429 L HN -0.051 nan 8.230 nan 0.000 0.410 430 V N 1.405 121.370 119.914 0.085 0.000 2.789 430 V HA 0.522 4.647 4.120 0.008 0.000 0.311 430 V C -0.719 175.523 176.094 0.247 0.000 1.073 430 V CA -0.691 61.657 62.300 0.080 0.000 0.921 430 V CB 2.533 34.186 31.823 -0.284 0.000 1.009 430 V HN 0.401 nan 8.190 nan 0.000 0.426 431 V N 5.634 125.739 119.914 0.318 0.000 2.350 431 V HA 0.623 4.748 4.120 0.008 0.000 0.285 431 V C -0.608 175.706 176.094 0.367 0.000 1.014 431 V CA -0.406 62.057 62.300 0.272 0.000 0.831 431 V CB 0.910 32.909 31.823 0.293 0.000 1.000 431 V HN 0.782 nan 8.190 nan 0.000 0.433 432 F N 1.391 121.446 119.950 0.175 0.000 2.603 432 F HA 0.730 5.261 4.527 0.007 0.000 0.317 432 F C -0.593 175.300 175.800 0.155 0.000 1.066 432 F CA -1.327 56.792 58.000 0.198 0.000 0.941 432 F CB 1.537 40.681 39.000 0.240 0.000 1.291 432 F HN 0.345 nan 8.300 nan 0.000 0.472 433 D N 3.801 124.390 120.400 0.315 0.000 2.380 433 D HA 0.268 4.912 4.640 0.008 0.000 0.230 433 D C -1.636 174.838 176.300 0.291 0.000 1.154 433 D CA -2.439 51.664 54.000 0.172 0.000 0.859 433 D CB 1.726 42.631 40.800 0.175 0.000 1.045 433 D HN 0.342 nan 8.370 nan 0.000 0.495 434 P HA -0.145 nan 4.420 nan 0.000 0.219 434 P C 0.945 178.379 177.300 0.223 0.000 1.146 434 P CA 0.738 64.011 63.100 0.288 0.000 0.808 434 P CB 0.348 32.127 31.700 0.132 0.000 0.779 435 A N -0.007 122.904 122.820 0.151 0.000 2.016 435 A HA -0.037 4.288 4.320 0.008 0.000 0.217 435 A C 2.062 179.723 177.584 0.129 0.000 1.162 435 A CA 2.023 54.133 52.037 0.120 0.000 0.662 435 A CB -1.261 17.791 19.000 0.085 0.000 0.812 435 A HN 0.397 nan 8.150 nan 0.000 0.450 436 T N -4.371 110.277 114.554 0.158 0.000 2.975 436 T HA 0.270 4.625 4.350 0.008 0.000 0.257 436 T C 0.457 175.261 174.700 0.174 0.000 1.003 436 T CA 0.374 62.563 62.100 0.148 0.000 0.932 436 T CB -0.629 68.321 68.868 0.137 0.000 1.087 436 T HN 0.254 nan 8.240 nan 0.000 0.512 437 V N 2.564 122.617 119.914 0.232 0.000 2.584 437 V HA 0.519 4.644 4.120 0.008 0.000 0.303 437 V C 0.041 176.225 176.094 0.151 0.000 1.035 437 V CA 0.660 63.092 62.300 0.221 0.000 1.172 437 V CB -0.431 31.548 31.823 0.260 0.000 0.896 437 V HN 0.890 nan 8.190 nan 0.000 0.486 438 A N 5.424 128.322 122.820 0.130 0.000 2.599 438 A HA 0.580 4.905 4.320 0.008 0.000 0.294 438 A C -0.947 176.694 177.584 0.095 0.000 1.055 438 A CA -0.435 51.662 52.037 0.101 0.000 0.683 438 A CB 1.218 20.272 19.000 0.091 0.000 1.278 438 A HN 0.942 nan 8.150 nan 0.000 0.412 439 D N 1.286 121.730 120.400 0.074 0.000 2.312 439 D HA 0.328 4.973 4.640 0.008 0.000 0.252 439 D C 0.332 176.671 176.300 0.065 0.000 1.150 439 D CA 0.093 54.143 54.000 0.083 0.000 0.870 439 D CB 1.569 42.414 40.800 0.075 0.000 1.153 439 D HN 0.166 nan 8.370 nan 0.000 0.457 440 S N 0.887 116.634 115.700 0.078 0.000 2.497 440 S HA 0.208 4.683 4.470 0.008 0.000 0.218 440 S C 0.983 175.605 174.600 0.037 0.000 1.023 440 S CA -0.175 58.058 58.200 0.054 0.000 0.913 440 S CB 0.274 63.507 63.200 0.054 0.000 0.800 440 S HN 0.785 nan 8.310 nan 0.000 0.505 441 A N 2.791 125.639 122.820 0.047 0.000 2.488 441 A HA 0.491 4.816 4.320 0.008 0.000 0.249 441 A C 0.682 178.252 177.584 -0.025 0.000 1.083 441 A CA -0.041 52.002 52.037 0.009 0.000 0.768 441 A CB -0.068 18.961 19.000 0.049 0.000 1.017 441 A HN 0.376 nan 8.150 nan 0.000 0.496 442 T N -1.140 113.381 114.554 -0.055 0.000 2.907 442 T HA 0.596 4.951 4.350 0.008 0.000 0.290 442 T C 0.460 175.060 174.700 -0.167 0.000 1.066 442 T CA -0.450 61.591 62.100 -0.097 0.000 1.012 442 T CB 0.543 69.406 68.868 -0.009 0.000 1.184 442 T HN 0.242 nan 8.240 nan 0.000 0.522 443 F N 0.379 120.317 119.950 -0.021 0.000 2.216 443 F HA 0.070 4.601 4.527 0.007 0.000 0.300 443 F C 2.615 178.365 175.800 -0.083 0.000 1.085 443 F CA 1.588 59.557 58.000 -0.051 0.000 1.326 443 F CB -0.308 38.708 39.000 0.028 0.000 1.027 443 F HN 0.846 nan 8.300 nan 0.000 0.497 444 E N -0.429 119.777 120.200 0.010 0.000 2.072 444 E HA -0.165 4.190 4.350 0.008 0.000 0.191 444 E C -0.004 176.405 176.600 -0.320 0.000 0.985 444 E CA 1.119 57.385 56.400 -0.223 0.000 0.801 444 E CB -0.083 29.372 29.700 -0.409 0.000 0.750 444 E HN 0.494 nan 8.360 nan 0.000 0.452 445 H N 0.018 119.079 119.070 -0.016 0.000 2.423 445 H HA 0.183 4.744 4.556 0.008 0.000 0.237 445 H C -2.025 173.236 175.328 -0.112 0.000 1.391 445 H CA -1.822 54.187 56.048 -0.065 0.000 1.453 445 H CB 1.459 31.181 29.762 -0.066 0.000 1.484 445 H HN 0.190 nan 8.280 nan 0.000 0.505 446 P HA -0.100 nan 4.420 nan 0.000 0.242 446 P C 1.010 178.184 177.300 -0.210 0.000 1.197 446 P CA 0.913 63.961 63.100 -0.088 0.000 0.765 446 P CB 0.267 31.943 31.700 -0.040 0.000 0.936 447 T N -4.503 109.796 114.554 -0.425 0.000 3.182 447 T HA 0.178 4.533 4.350 0.008 0.000 0.277 447 T C 0.385 174.435 174.700 -1.083 0.000 1.013 447 T CA -0.404 60.990 62.100 -1.176 0.000 0.900 447 T CB -0.237 68.059 68.868 -0.952 0.000 1.098 447 T HN -0.155 nan 8.240 nan 0.000 0.543 448 E N 2.273 122.185 120.200 -0.479 0.000 2.360 448 E HA 0.311 4.666 4.350 0.008 0.000 0.269 448 E C -0.041 176.469 176.600 -0.149 0.000 1.022 448 E CA -0.292 55.943 56.400 -0.276 0.000 0.887 448 E CB 0.686 30.322 29.700 -0.108 0.000 0.990 448 E HN 0.246 nan 8.360 nan 0.000 0.426 449 R N 0.908 121.376 120.500 -0.052 0.000 2.491 449 R HA 0.251 4.596 4.340 0.008 0.000 0.283 449 R C 0.135 176.528 176.300 0.155 0.000 1.072 449 R CA -0.095 56.099 56.100 0.157 0.000 1.048 449 R CB 0.324 30.766 30.300 0.237 0.000 0.983 449 R HN 0.572 nan 8.270 nan 0.000 0.450 450 A N 2.029 124.958 122.820 0.181 0.000 2.466 450 A HA 0.498 4.823 4.320 0.008 0.000 0.238 450 A C 0.039 177.723 177.584 0.167 0.000 1.074 450 A CA 0.184 52.315 52.037 0.156 0.000 0.774 450 A CB 0.134 19.224 19.000 0.150 0.000 1.015 450 A HN 0.767 nan 8.150 nan 0.000 0.498 451 A N -0.105 122.806 122.820 0.152 0.000 2.282 451 A HA 0.649 4.973 4.320 0.008 0.000 0.319 451 A C 1.338 179.038 177.584 0.193 0.000 1.121 451 A CA 0.229 52.363 52.037 0.162 0.000 0.836 451 A CB 0.208 19.286 19.000 0.130 0.000 1.146 451 A HN 2.736 nan 8.150 nan 0.000 0.494 452 G N -0.479 108.450 108.800 0.215 0.000 2.184 452 G HA2 -0.174 3.791 3.960 0.008 0.000 0.264 452 G HA3 -0.174 3.791 3.960 0.008 0.000 0.264 452 G C 0.030 175.133 174.900 0.340 0.000 0.975 452 G CA 0.334 45.594 45.100 0.265 0.000 0.642 452 G HN 0.681 nan 8.290 nan 0.000 0.536 453 I N 1.972 122.735 120.570 0.321 0.000 2.287 453 I HA 0.236 4.411 4.170 0.008 0.000 0.290 453 I C 1.486 177.841 176.117 0.398 0.000 1.069 453 I CA -0.498 61.017 61.300 0.357 0.000 1.237 453 I CB 0.400 38.555 38.000 0.258 0.000 1.418 453 I HN 0.249 nan 8.210 nan 0.000 0.481 454 H N 5.914 125.154 119.070 0.284 0.000 2.284 454 H HA 0.003 4.563 4.556 0.008 0.000 0.304 454 H C 0.208 175.655 175.328 0.198 0.000 1.069 454 H CA 1.268 57.442 56.048 0.210 0.000 1.327 454 H CB 0.942 30.804 29.762 0.166 0.000 1.387 454 H HN 0.611 nan 8.280 nan 0.000 0.498 455 S N -0.391 115.500 115.700 0.317 0.000 2.570 455 S HA 0.565 5.040 4.470 0.008 0.000 0.270 455 S C -1.299 173.387 174.600 0.144 0.000 1.149 455 S CA -0.911 57.375 58.200 0.143 0.000 0.837 455 S CB 2.665 65.900 63.200 0.059 0.000 1.124 455 S HN 0.041 nan 8.310 nan 0.000 0.465 456 V N 1.827 121.709 119.914 -0.052 0.000 2.686 456 V HA 0.575 4.700 4.120 0.008 0.000 0.306 456 V C -1.838 174.105 176.094 -0.252 0.000 1.065 456 V CA -0.602 61.677 62.300 -0.036 0.000 0.894 456 V CB 1.433 33.263 31.823 0.011 0.000 1.004 456 V HN 0.934 nan 8.190 nan 0.000 0.424 457 Y N 2.484 122.819 120.300 0.058 0.000 2.409 457 Y HA 0.753 5.307 4.550 0.008 0.000 0.343 457 Y C -0.161 175.771 175.900 0.052 0.000 0.973 457 Y CA -1.071 57.072 58.100 0.072 0.000 1.064 457 Y CB 2.272 40.804 38.460 0.121 0.000 1.207 457 Y HN 0.345 nan 8.280 nan 0.000 0.452 458 V N 2.972 122.997 119.914 0.186 0.000 2.483 458 V HA 0.254 4.379 4.120 0.008 0.000 0.297 458 V C -0.355 175.814 176.094 0.125 0.000 1.027 458 V CA -1.492 60.874 62.300 0.110 0.000 0.855 458 V CB 1.208 33.063 31.823 0.052 0.000 0.995 458 V HN 0.972 nan 8.190 nan 0.000 0.424 459 N N 4.011 122.780 118.700 0.116 0.000 2.721 459 N HA -0.242 4.503 4.740 0.008 0.000 0.249 459 N C 1.156 176.772 175.510 0.177 0.000 1.072 459 N CA 0.874 54.005 53.050 0.135 0.000 0.710 459 N CB -0.773 37.750 38.487 0.060 0.000 0.993 459 N HN 1.398 nan 8.380 nan 0.000 0.547 460 G N -1.904 107.029 108.800 0.222 0.000 2.253 460 G HA2 -0.246 3.719 3.960 0.008 0.000 0.251 460 G HA3 -0.246 3.719 3.960 0.008 0.000 0.251 460 G C 0.213 175.349 174.900 0.392 0.000 0.998 460 G CA 0.395 45.665 45.100 0.284 0.000 0.621 460 G HN 1.020 nan 8.290 nan 0.000 0.524 461 A N 0.399 123.385 122.820 0.276 0.000 2.301 461 A HA 0.887 5.211 4.320 0.008 0.000 0.298 461 A C 0.657 178.330 177.584 0.149 0.000 1.185 461 A CA 0.858 53.016 52.037 0.202 0.000 0.830 461 A CB 0.939 20.003 19.000 0.106 0.000 1.112 461 A HN 2.050 nan 8.150 nan 0.000 0.508 462 A N 1.964 124.790 122.820 0.009 0.000 2.491 462 A HA 0.429 4.754 4.320 0.008 0.000 0.261 462 A C 1.070 178.538 177.584 -0.193 0.000 1.101 462 A CA 0.305 52.123 52.037 -0.364 0.000 0.772 462 A CB -0.191 18.515 19.000 -0.491 0.000 1.043 462 A HN 1.918 nan 8.150 nan 0.000 0.501 463 V N -0.023 119.823 119.914 -0.114 0.000 3.379 463 V HA 0.296 4.421 4.120 0.008 0.000 0.249 463 V C 0.506 176.734 176.094 0.224 0.000 1.184 463 V CA -0.057 62.296 62.300 0.088 0.000 1.106 463 V CB -0.325 31.612 31.823 0.191 0.000 0.826 463 V HN 0.852 nan 8.190 nan 0.000 0.465 464 W N 1.614 122.832 121.300 -0.136 0.000 2.554 464 W HA 0.688 5.353 4.660 0.009 0.000 0.324 464 W C -1.411 174.991 176.519 -0.195 0.000 1.018 464 W CA -0.381 56.906 57.345 -0.097 0.000 1.243 464 W CB 1.835 31.261 29.460 -0.056 0.000 1.345 464 W HN 0.235 nan 8.180 nan 0.000 0.441 465 E N 4.187 124.040 120.200 -0.578 0.000 2.352 465 E HA 0.075 4.430 4.350 0.008 0.000 0.280 465 E C -0.763 175.470 176.600 -0.612 0.000 0.930 465 E CA -0.676 55.410 56.400 -0.523 0.000 0.765 465 E CB 1.979 31.455 29.700 -0.372 0.000 1.219 465 E HN 0.362 nan 8.360 nan 0.000 0.434 466 D N 2.867 122.971 120.400 -0.493 0.000 2.708 466 D HA -0.178 4.467 4.640 0.008 0.000 0.236 466 D C -0.427 175.593 176.300 -0.466 0.000 1.146 466 D CA 0.940 54.712 54.000 -0.380 0.000 0.662 466 D CB -0.532 40.099 40.800 -0.282 0.000 1.059 466 D HN 0.539 nan 8.370 nan 0.000 0.428 467 Q N -2.057 117.354 119.800 -0.648 0.000 2.453 467 Q HA -0.241 4.103 4.340 0.008 0.000 0.294 467 Q C -0.266 175.112 176.000 -1.037 0.000 1.295 467 Q CA 1.663 57.066 55.803 -0.667 0.000 0.853 467 Q CB -1.718 26.968 28.738 -0.087 0.000 1.193 467 Q HN 0.593 nan 8.270 nan 0.000 0.461 468 S N -0.797 113.932 115.700 -1.618 0.000 2.547 468 S HA 0.622 5.096 4.470 0.008 0.000 0.270 468 S C -1.265 172.960 174.600 -0.626 0.000 1.150 468 S CA -0.894 56.766 58.200 -0.899 0.000 0.850 468 S CB 1.077 64.034 63.200 -0.404 0.000 1.118 468 S HN 0.242 nan 8.310 nan 0.000 0.461 469 F N 3.854 123.707 119.950 -0.161 0.000 2.495 469 F HA 0.349 4.880 4.527 0.008 0.000 0.365 469 F C 1.755 177.492 175.800 -0.106 0.000 1.090 469 F CA 0.369 58.393 58.000 0.041 0.000 1.235 469 F CB 1.028 40.105 39.000 0.130 0.000 1.119 469 F HN 0.748 nan 8.300 nan 0.000 0.562 470 T N 1.633 115.822 114.554 -0.609 0.000 3.023 470 T HA 0.222 4.577 4.350 0.008 0.000 0.266 470 T C 1.497 175.655 174.700 -0.902 0.000 1.093 470 T CA 0.691 62.412 62.100 -0.633 0.000 1.129 470 T CB -0.507 68.112 68.868 -0.416 0.000 0.899 470 T HN 1.552 nan 8.240 nan 0.000 0.491 471 G N 0.538 108.189 108.800 -1.915 0.000 2.179 471 G HA2 -0.185 3.779 3.960 0.008 0.000 0.220 471 G HA3 -0.185 3.779 3.960 0.008 0.000 0.220 471 G C -0.058 174.330 174.900 -0.853 0.000 0.990 471 G CA -0.286 44.010 45.100 -1.341 0.000 0.646 471 G HN 0.569 nan 8.290 nan 0.000 0.517 472 Q N 0.991 120.385 119.800 -0.676 0.000 2.344 472 Q HA 0.320 4.665 4.340 0.008 0.000 0.253 472 Q C -0.419 175.547 176.000 -0.056 0.000 1.050 472 Q CA 0.022 55.686 55.803 -0.232 0.000 0.912 472 Q CB 0.242 28.909 28.738 -0.117 0.000 1.258 472 Q HN 0.665 nan 8.270 nan 0.000 0.443 473 H N 0.832 120.001 119.070 0.165 0.000 2.820 473 H HA 0.252 4.813 4.556 0.008 0.000 0.248 473 H C 0.762 176.135 175.328 0.075 0.000 1.714 473 H CA -0.086 56.056 56.048 0.156 0.000 1.334 473 H CB 0.460 30.285 29.762 0.106 0.000 1.693 473 H HN 0.695 nan 8.280 nan 0.000 0.548 474 A N 2.320 125.219 122.820 0.132 0.000 2.238 474 A HA 0.217 4.542 4.320 0.008 0.000 0.210 474 A C 1.682 179.289 177.584 0.038 0.000 1.179 474 A CA 0.264 52.349 52.037 0.080 0.000 0.827 474 A CB 0.010 19.056 19.000 0.076 0.000 0.856 474 A HN 0.628 nan 8.150 nan 0.000 0.488 475 G N -0.083 108.735 108.800 0.029 0.000 2.527 475 G HA2 0.471 4.436 3.960 0.008 0.000 0.248 475 G HA3 0.471 4.436 3.960 0.008 0.000 0.248 475 G C -0.084 174.785 174.900 -0.052 0.000 1.231 475 G CA -0.454 44.631 45.100 -0.025 0.000 0.838 475 G HN 0.477 nan 8.290 nan 0.000 0.570 476 R N -0.260 120.185 120.500 -0.092 0.000 2.795 476 R HA 0.431 4.776 4.340 0.008 0.000 0.275 476 R C -1.053 175.177 176.300 -0.117 0.000 0.981 476 R CA -0.937 55.099 56.100 -0.107 0.000 0.917 476 R CB 2.547 32.765 30.300 -0.138 0.000 1.202 476 R HN 0.333 nan 8.270 nan 0.000 0.469 477 V N 4.295 124.141 119.914 -0.112 0.000 2.455 477 V HA 0.178 4.302 4.120 0.008 0.000 0.273 477 V C 0.261 176.304 176.094 -0.085 0.000 1.045 477 V CA -0.084 62.153 62.300 -0.106 0.000 0.976 477 V CB 0.498 32.250 31.823 -0.118 0.000 0.993 477 V HN 0.453 nan 8.190 nan 0.000 0.475 478 L N 5.384 126.562 121.223 -0.075 0.000 2.379 478 L HA 0.537 4.881 4.340 0.008 0.000 0.269 478 L C 0.109 176.969 176.870 -0.018 0.000 1.084 478 L CA -0.384 54.419 54.840 -0.062 0.000 0.802 478 L CB 1.039 43.053 42.059 -0.074 0.000 1.175 478 L HN 0.626 nan 8.230 nan 0.000 0.448 479 N N -0.318 118.379 118.700 -0.005 0.000 2.272 479 N HA 0.705 5.450 4.740 0.008 0.000 0.305 479 N C -0.496 175.033 175.510 0.033 0.000 1.103 479 N CA -0.700 52.362 53.050 0.021 0.000 0.791 479 N CB 1.718 40.219 38.487 0.023 0.000 1.356 479 N HN 0.617 nan 8.380 nan 0.000 0.486 480 R N 0.000 120.529 120.500 0.048 0.000 2.786 480 R HA 0.000 4.345 4.340 0.008 0.000 0.208 480 R CA 0.000 56.135 56.100 0.059 0.000 0.921 480 R CB 0.000 30.347 30.300 0.078 0.000 0.687 480 R HN 0.000 nan 8.270 nan 0.000 0.535