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 3feq_1_E DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 3 I N -0.310 120.252 120.570 -0.013 0.000 2.842 3 I HA 0.666 4.830 4.170 -0.010 0.000 0.297 3 I C -1.872 174.235 176.117 -0.017 0.000 1.380 3 I CA -0.229 61.063 61.300 -0.014 0.000 1.018 3 I CB 2.302 40.295 38.000 -0.011 0.000 1.311 3 I HN 0.997 nan 8.210 nan 0.000 0.439 4 T N 5.292 119.835 114.554 -0.019 0.000 2.912 4 T HA 0.614 4.958 4.350 -0.010 0.000 0.299 4 T C -1.450 173.239 174.700 -0.020 0.000 1.052 4 T CA -0.486 61.598 62.100 -0.026 0.000 0.996 4 T CB 2.128 70.973 68.868 -0.039 0.000 1.070 4 T HN 0.308 nan 8.240 nan 0.000 0.465 5 V N 3.876 123.778 119.914 -0.020 0.000 2.483 5 V HA 0.399 4.513 4.120 -0.010 0.000 0.297 5 V C -0.906 175.173 176.094 -0.026 0.000 1.027 5 V CA -0.983 61.317 62.300 0.001 0.000 0.855 5 V CB 1.623 33.469 31.823 0.038 0.000 0.995 5 V HN 0.643 nan 8.190 nan 0.000 0.424 6 L N 5.950 127.152 121.223 -0.035 0.000 2.278 6 L HA 0.437 4.771 4.340 -0.010 0.000 0.287 6 L C 0.366 177.194 176.870 -0.069 0.000 1.072 6 L CA 0.277 55.073 54.840 -0.074 0.000 0.819 6 L CB 0.722 42.732 42.059 -0.082 0.000 1.176 6 L HN 0.832 nan 8.230 nan 0.000 0.435 7 Q N 1.141 120.869 119.800 -0.119 0.000 2.316 7 Q HA 0.643 4.977 4.340 -0.010 0.000 0.264 7 Q C 0.597 176.375 176.000 -0.370 0.000 0.987 7 Q CA -0.406 55.235 55.803 -0.271 0.000 0.852 7 Q CB 1.938 30.629 28.738 -0.079 0.000 1.287 7 Q HN 0.770 nan 8.270 nan 0.000 0.448 8 G N 1.827 110.235 108.800 -0.653 0.000 2.148 8 G HA2 -0.257 3.697 3.960 -0.010 0.000 0.254 8 G HA3 -0.257 3.697 3.960 -0.010 0.000 0.254 8 G C 0.383 175.110 174.900 -0.288 0.000 0.981 8 G CA -0.194 44.700 45.100 -0.344 0.000 0.670 8 G HN 1.015 nan 8.290 nan 0.000 0.528 9 G N -0.530 108.138 108.800 -0.222 0.000 2.634 9 G HA2 0.468 4.422 3.960 -0.010 0.000 0.255 9 G HA3 0.468 4.422 3.960 -0.010 0.000 0.255 9 G C -0.037 174.774 174.900 -0.147 0.000 1.205 9 G CA -0.223 44.780 45.100 -0.161 0.000 0.884 9 G HN 0.522 nan 8.290 nan 0.000 0.549 10 N N -0.279 118.346 118.700 -0.126 0.000 2.589 10 N HA 0.336 5.070 4.740 -0.010 0.000 0.232 10 N C -0.596 174.867 175.510 -0.077 0.000 1.015 10 N CA -0.541 52.451 53.050 -0.096 0.000 0.931 10 N CB 2.129 40.559 38.487 -0.096 0.000 1.150 10 N HN 0.192 nan 8.380 nan 0.000 0.512 11 V N 3.028 122.892 119.914 -0.083 0.000 2.470 11 V HA 0.026 4.140 4.120 -0.010 0.000 0.276 11 V C 0.589 176.627 176.094 -0.093 0.000 1.040 11 V CA -0.421 61.831 62.300 -0.081 0.000 1.008 11 V CB 0.638 32.413 31.823 -0.079 0.000 0.990 11 V HN 0.637 nan 8.190 nan 0.000 0.477 12 L N 5.469 126.656 121.223 -0.060 0.000 2.369 12 L HA 0.269 4.603 4.340 -0.010 0.000 0.279 12 L C 0.307 177.151 176.870 -0.042 0.000 1.108 12 L CA 0.195 55.006 54.840 -0.047 0.000 0.852 12 L CB 0.446 42.489 42.059 -0.026 0.000 1.169 12 L HN 0.684 nan 8.230 nan 0.000 0.452 13 D N 4.674 125.046 120.400 -0.047 0.000 2.303 13 D HA 0.175 4.809 4.640 -0.010 0.000 0.236 13 D C 0.582 176.874 176.300 -0.013 0.000 1.068 13 D CA -0.388 53.593 54.000 -0.032 0.000 0.830 13 D CB 1.826 42.599 40.800 -0.045 0.000 1.109 13 D HN 0.504 nan 8.370 nan 0.000 0.496 14 L N 3.173 124.398 121.223 0.002 0.000 2.354 14 L HA -0.010 4.324 4.340 -0.010 0.000 0.212 14 L C 2.346 179.228 176.870 0.019 0.000 1.091 14 L CA 0.327 55.176 54.840 0.015 0.000 0.828 14 L CB 0.083 42.160 42.059 0.029 0.000 0.973 14 L HN 0.475 nan 8.230 nan 0.000 0.461 15 E N 0.270 120.479 120.200 0.016 0.000 2.299 15 E HA -0.130 4.214 4.350 -0.010 0.000 0.193 15 E C 1.745 178.354 176.600 0.014 0.000 0.998 15 E CA 0.670 57.081 56.400 0.019 0.000 0.851 15 E CB 0.072 29.784 29.700 0.020 0.000 0.795 15 E HN 0.441 nan 8.360 nan 0.000 0.492 16 R N -0.059 120.445 120.500 0.007 0.000 2.225 16 R HA 0.195 4.529 4.340 -0.010 0.000 0.194 16 R C 0.954 177.256 176.300 0.003 0.000 0.957 16 R CA 0.640 56.742 56.100 0.004 0.000 1.042 16 R CB 0.664 30.963 30.300 -0.002 0.000 1.004 16 R HN 0.267 nan 8.270 nan 0.000 0.509 17 G N 1.093 109.893 108.800 0.001 0.000 2.203 17 G HA2 -0.194 3.760 3.960 -0.010 0.000 0.231 17 G HA3 -0.194 3.760 3.960 -0.010 0.000 0.231 17 G C -0.241 174.655 174.900 -0.006 0.000 1.058 17 G CA 0.083 45.184 45.100 0.002 0.000 0.781 17 G HN 0.233 nan 8.290 nan 0.000 0.496 18 V N -2.737 117.167 119.914 -0.016 0.000 3.049 18 V HA 0.790 4.904 4.120 -0.010 0.000 0.309 18 V C 0.662 176.731 176.094 -0.042 0.000 1.148 18 V CA -1.723 60.563 62.300 -0.024 0.000 0.990 18 V CB 2.019 33.829 31.823 -0.021 0.000 1.039 18 V HN 0.312 nan 8.190 nan 0.000 0.430 19 L N 2.860 124.058 121.223 -0.042 0.000 2.439 19 L HA 0.423 4.756 4.340 -0.010 0.000 0.269 19 L C -0.511 176.306 176.870 -0.089 0.000 1.179 19 L CA -0.221 54.582 54.840 -0.062 0.000 0.828 19 L CB 0.828 42.860 42.059 -0.045 0.000 1.106 19 L HN 0.545 nan 8.230 nan 0.000 0.467 20 L N 3.901 125.026 121.223 -0.162 0.000 2.337 20 L HA 0.274 4.608 4.340 -0.010 0.000 0.269 20 L C 0.176 176.972 176.870 -0.122 0.000 1.018 20 L CA -0.747 53.922 54.840 -0.285 0.000 0.876 20 L CB 0.994 42.602 42.059 -0.753 0.000 1.236 20 L HN 0.603 nan 8.230 nan 0.000 0.436 21 E N 3.007 123.245 120.200 0.064 0.000 2.404 21 E HA 0.010 4.354 4.350 -0.010 0.000 0.261 21 E C 0.111 176.888 176.600 0.295 0.000 1.074 21 E CA -0.446 56.017 56.400 0.104 0.000 0.917 21 E CB 0.311 30.089 29.700 0.129 0.000 0.965 21 E HN 0.540 nan 8.360 nan 0.000 0.433 22 H N 0.098 119.238 119.070 0.117 0.000 2.690 22 H HA -0.168 4.382 4.556 -0.010 0.000 0.309 22 H C -0.652 174.737 175.328 0.101 0.000 1.138 22 H CA 1.119 57.201 56.048 0.057 0.000 1.142 22 H CB -1.909 27.875 29.762 0.037 0.000 1.410 22 H HN 0.494 nan 8.280 nan 0.000 0.409 23 H N 0.466 119.565 119.070 0.049 0.000 2.527 23 H HA 0.255 4.805 4.556 -0.010 0.000 0.321 23 H C 0.902 176.251 175.328 0.036 0.000 1.087 23 H CA -0.149 55.956 56.048 0.094 0.000 1.337 23 H CB 0.617 30.413 29.762 0.056 0.000 1.440 23 H HN 0.317 nan 8.280 nan 0.000 0.490 24 H N 1.348 120.458 119.070 0.067 0.000 2.511 24 H HA 0.340 4.890 4.556 -0.010 0.000 0.346 24 H C -0.273 175.078 175.328 0.039 0.000 1.128 24 H CA -0.670 55.398 56.048 0.033 0.000 1.342 24 H CB 2.146 31.910 29.762 0.004 0.000 1.470 24 H HN 0.298 nan 8.280 nan 0.000 0.546 25 V N 3.378 123.365 119.914 0.122 0.000 2.540 25 V HA 0.325 4.439 4.120 -0.010 0.000 0.302 25 V C -0.904 175.218 176.094 0.048 0.000 1.035 25 V CA -0.585 61.758 62.300 0.072 0.000 0.873 25 V CB 1.486 33.331 31.823 0.036 0.000 0.992 25 V HN 0.454 nan 8.190 nan 0.000 0.428 26 V N 7.947 127.883 119.914 0.037 0.000 2.384 26 V HA 0.533 4.647 4.120 -0.010 0.000 0.287 26 V C -0.205 175.893 176.094 0.006 0.000 1.020 26 V CA -0.581 61.731 62.300 0.019 0.000 0.850 26 V CB 1.361 33.193 31.823 0.015 0.000 0.987 26 V HN 0.715 nan 8.190 nan 0.000 0.436 27 I N 3.695 124.263 120.570 -0.004 0.000 2.336 27 I HA 0.461 4.625 4.170 -0.010 0.000 0.292 27 I C -0.338 175.773 176.117 -0.009 0.000 0.991 27 I CA -0.320 60.975 61.300 -0.009 0.000 1.227 27 I CB 1.393 39.382 38.000 -0.019 0.000 1.366 27 I HN 0.620 nan 8.210 nan 0.000 0.466 28 D N 4.054 124.450 120.400 -0.007 0.000 2.391 28 D HA 0.588 5.222 4.640 -0.010 0.000 0.245 28 D C 0.774 177.070 176.300 -0.008 0.000 1.069 28 D CA 0.612 54.608 54.000 -0.008 0.000 0.831 28 D CB 1.758 42.554 40.800 -0.005 0.000 1.204 28 D HN 0.816 nan 8.370 nan 0.000 0.503 29 G N 4.015 112.809 108.800 -0.010 0.000 2.620 29 G HA2 -0.360 3.594 3.960 -0.010 0.000 0.315 29 G HA3 -0.360 3.594 3.960 -0.010 0.000 0.315 29 G C 0.748 175.641 174.900 -0.011 0.000 1.179 29 G CA 0.643 45.738 45.100 -0.010 0.000 0.971 29 G HN 0.598 nan 8.290 nan 0.000 0.544 30 E N 0.931 121.125 120.200 -0.009 0.000 2.498 30 E HA 0.196 4.540 4.350 -0.010 0.000 0.203 30 E C 1.039 177.636 176.600 -0.006 0.000 1.013 30 E CA -0.169 56.225 56.400 -0.010 0.000 0.927 30 E CB 0.580 30.274 29.700 -0.009 0.000 1.012 30 E HN 0.346 nan 8.360 nan 0.000 0.482 31 R N 0.863 121.361 120.500 -0.004 0.000 2.778 31 R HA 0.473 4.807 4.340 -0.010 0.000 0.277 31 R C -0.248 176.051 176.300 -0.001 0.000 0.977 31 R CA -0.799 55.301 56.100 -0.000 0.000 0.950 31 R CB 1.940 32.242 30.300 0.003 0.000 1.165 31 R HN -0.033 nan 8.270 nan 0.000 0.474 32 I N 2.515 123.086 120.570 0.002 0.000 2.379 32 I HA 0.000 4.164 4.170 -0.010 0.000 0.290 32 I C 1.155 177.276 176.117 0.008 0.000 1.063 32 I CA -0.059 61.243 61.300 0.004 0.000 1.351 32 I CB 1.258 39.262 38.000 0.006 0.000 1.410 32 I HN 0.421 nan 8.210 nan 0.000 0.505 33 V N 4.571 124.490 119.914 0.008 0.000 3.085 33 V HA 0.162 4.276 4.120 -0.010 0.000 0.245 33 V C 0.633 176.734 176.094 0.011 0.000 1.114 33 V CA 0.676 62.980 62.300 0.008 0.000 1.108 33 V CB -0.164 31.661 31.823 0.003 0.000 0.798 33 V HN 0.700 nan 8.190 nan 0.000 0.471 34 E N -0.223 119.987 120.200 0.016 0.000 2.290 34 E HA 0.549 4.893 4.350 -0.010 0.000 0.274 34 E C -1.901 174.725 176.600 0.044 0.000 0.889 34 E CA -0.269 56.145 56.400 0.024 0.000 0.760 34 E CB 3.064 32.771 29.700 0.012 0.000 1.206 34 E HN 0.050 nan 8.360 nan 0.000 0.419 35 V N 2.571 122.521 119.914 0.059 0.000 2.407 35 V HA 0.622 4.736 4.120 -0.010 0.000 0.291 35 V C -0.194 175.981 176.094 0.134 0.000 1.018 35 V CA -0.455 61.906 62.300 0.102 0.000 0.842 35 V CB 1.525 33.405 31.823 0.095 0.000 0.996 35 V HN 0.708 nan 8.190 nan 0.000 0.426 36 T N 1.752 116.388 114.554 0.137 0.000 2.830 36 T HA 0.339 4.683 4.350 -0.010 0.000 0.322 36 T C -0.857 173.776 174.700 -0.113 0.000 1.501 36 T CA -0.261 61.855 62.100 0.027 0.000 1.036 36 T CB 2.002 70.858 68.868 -0.021 0.000 1.379 36 T HN 0.804 nan 8.240 nan 0.000 0.493 37 D N 1.189 121.374 120.400 -0.359 0.000 2.388 37 D HA 0.162 4.796 4.640 -0.010 0.000 0.221 37 D C 0.507 176.721 176.300 -0.143 0.000 1.133 37 D CA -0.495 53.317 54.000 -0.314 0.000 0.831 37 D CB 0.107 40.552 40.800 -0.591 0.000 0.962 37 D HN 0.084 nan 8.370 nan 0.000 0.502 38 R N 2.254 122.654 120.500 -0.167 0.000 2.640 38 R HA 0.164 4.498 4.340 -0.010 0.000 0.270 38 R C -2.122 173.987 176.300 -0.317 0.000 1.024 38 R CA -1.785 54.203 56.100 -0.186 0.000 1.085 38 R CB -0.684 29.516 30.300 -0.167 0.000 0.963 38 R HN 0.166 nan 8.270 nan 0.000 0.426 39 P HA -0.038 nan 4.420 nan 0.000 0.262 39 P C -0.199 176.946 177.300 -0.259 0.000 1.199 39 P CA 0.219 63.182 63.100 -0.227 0.000 0.763 39 P CB 0.617 32.256 31.700 -0.103 0.000 0.790 40 V N 3.255 122.961 119.914 -0.347 0.000 2.732 40 V HA 0.201 4.315 4.120 -0.010 0.000 0.310 40 V C 0.284 176.307 176.094 -0.118 0.000 1.053 40 V CA -0.420 61.737 62.300 -0.238 0.000 0.957 40 V CB 1.825 33.479 31.823 -0.281 0.000 1.018 40 V HN 0.358 nan 8.190 nan 0.000 0.452 41 D N 3.695 124.047 120.400 -0.080 0.000 2.741 41 D HA 0.260 4.894 4.640 -0.010 0.000 0.233 41 D C -0.036 176.244 176.300 -0.033 0.000 1.160 41 D CA -0.232 53.738 54.000 -0.050 0.000 1.003 41 D CB -0.313 40.461 40.800 -0.043 0.000 1.064 41 D HN 0.454 nan 8.370 nan 0.000 0.503 42 L N 0.363 121.571 121.223 -0.026 0.000 2.295 42 L HA 0.552 4.886 4.340 -0.010 0.000 0.288 42 L C -1.621 175.243 176.870 -0.011 0.000 1.079 42 L CA -1.056 53.776 54.840 -0.014 0.000 0.830 42 L CB 0.595 42.653 42.059 -0.002 0.000 1.200 42 L HN -0.024 nan 8.230 nan 0.000 0.438 43 P HA 0.110 nan 4.420 nan 0.000 0.209 43 P C 0.221 177.516 177.300 -0.008 0.000 1.196 43 P CA 0.665 63.759 63.100 -0.010 0.000 0.906 43 P CB 0.264 31.957 31.700 -0.010 0.000 0.754 44 N N -0.650 118.044 118.700 -0.009 0.000 2.389 44 N HA 0.414 5.147 4.740 -0.010 0.000 0.260 44 N C -0.695 174.809 175.510 -0.010 0.000 1.191 44 N CA -0.216 52.829 53.050 -0.009 0.000 0.885 44 N CB 0.260 38.742 38.487 -0.009 0.000 1.162 44 N HN 0.158 nan 8.380 nan 0.000 0.512 45 A N 0.353 123.167 122.820 -0.010 0.000 2.301 45 A HA 0.327 4.641 4.320 -0.010 0.000 0.298 45 A C 0.152 177.727 177.584 -0.015 0.000 1.185 45 A CA -0.400 51.630 52.037 -0.012 0.000 0.830 45 A CB 0.453 19.449 19.000 -0.008 0.000 1.112 45 A HN 0.226 nan 8.150 nan 0.000 0.508 46 Q N 1.442 121.229 119.800 -0.022 0.000 2.320 46 Q HA 0.347 4.681 4.340 -0.010 0.000 0.262 46 Q C 0.302 176.279 176.000 -0.039 0.000 1.225 46 Q CA 0.602 56.387 55.803 -0.031 0.000 0.916 46 Q CB 0.175 28.890 28.738 -0.038 0.000 1.417 46 Q HN 0.781 nan 8.270 nan 0.000 0.462 47 A N 4.611 127.412 122.820 -0.031 0.000 2.404 47 A HA 0.402 4.716 4.320 -0.010 0.000 0.273 47 A C -0.422 177.121 177.584 -0.069 0.000 1.144 47 A CA -0.268 51.749 52.037 -0.035 0.000 0.806 47 A CB 0.057 19.049 19.000 -0.013 0.000 1.080 47 A HN 0.761 nan 8.150 nan 0.000 0.509 48 I N 2.186 122.690 120.570 -0.111 0.000 2.362 48 I HA 0.194 4.358 4.170 -0.010 0.000 0.289 48 I C -0.418 175.606 176.117 -0.155 0.000 0.994 48 I CA -0.414 60.774 61.300 -0.186 0.000 1.158 48 I CB 1.952 39.747 38.000 -0.342 0.000 1.315 48 I HN 0.661 nan 8.210 nan 0.000 0.451 49 D N 5.676 126.010 120.400 -0.109 0.000 2.339 49 D HA 0.303 4.937 4.640 -0.010 0.000 0.241 49 D C -0.236 176.033 176.300 -0.053 0.000 1.183 49 D CA -0.092 53.870 54.000 -0.063 0.000 0.859 49 D CB 0.966 41.754 40.800 -0.020 0.000 1.067 49 D HN 0.243 nan 8.370 nan 0.000 0.484 50 V N 5.286 125.154 119.914 -0.076 0.000 2.802 50 V HA 0.176 4.290 4.120 -0.010 0.000 0.350 50 V C 0.420 176.468 176.094 -0.077 0.000 1.233 50 V CA -0.835 61.432 62.300 -0.056 0.000 1.337 50 V CB -0.600 31.176 31.823 -0.078 0.000 1.497 50 V HN 0.509 nan 8.190 nan 0.000 0.616 51 R N 1.819 122.286 120.500 -0.055 0.000 2.442 51 R HA 0.292 4.626 4.340 -0.010 0.000 0.291 51 R C 0.821 177.078 176.300 -0.072 0.000 1.069 51 R CA 0.852 56.910 56.100 -0.069 0.000 1.022 51 R CB 0.280 30.578 30.300 -0.003 0.000 0.976 51 R HN 0.799 nan 8.270 nan 0.000 0.443 52 G N 2.844 111.560 108.800 -0.139 0.000 2.341 52 G HA2 -0.335 3.619 3.960 -0.010 0.000 0.292 52 G HA3 -0.335 3.619 3.960 -0.010 0.000 0.292 52 G C -0.523 174.338 174.900 -0.066 0.000 1.021 52 G CA 0.984 46.023 45.100 -0.100 0.000 0.905 52 G HN 0.685 nan 8.290 nan 0.000 0.508 53 K N -0.337 120.019 120.400 -0.073 0.000 2.422 53 K HA 0.488 4.801 4.320 -0.010 0.000 0.251 53 K C -0.076 176.493 176.600 -0.052 0.000 0.933 53 K CA -0.711 55.551 56.287 -0.042 0.000 0.798 53 K CB 1.589 34.084 32.500 -0.008 0.000 1.238 53 K HN 0.054 nan 8.250 nan 0.000 0.428 54 T N 1.516 116.045 114.554 -0.042 0.000 2.814 54 T HA 0.107 4.451 4.350 -0.010 0.000 0.297 54 T C -0.518 174.160 174.700 -0.038 0.000 0.956 54 T CA -0.399 61.675 62.100 -0.044 0.000 1.123 54 T CB 0.733 69.579 68.868 -0.038 0.000 0.902 54 T HN 0.294 nan 8.240 nan 0.000 0.528 55 V N 7.129 127.016 119.914 -0.045 0.000 2.357 55 V HA 0.769 4.883 4.120 -0.010 0.000 0.284 55 V C -0.482 175.584 176.094 -0.047 0.000 1.018 55 V CA -0.837 61.435 62.300 -0.046 0.000 0.841 55 V CB 0.598 32.392 31.823 -0.047 0.000 0.991 55 V HN 0.946 nan 8.190 nan 0.000 0.437 56 M N 6.237 125.804 119.600 -0.056 0.000 2.691 56 M HA 0.836 5.310 4.480 -0.010 0.000 0.293 56 M C -2.961 173.291 176.300 -0.079 0.000 1.259 56 M CA -2.264 53.011 55.300 -0.043 0.000 0.827 56 M CB 2.096 34.697 32.600 0.003 0.000 1.753 56 M HN 0.268 nan 8.290 nan 0.000 0.465 57 P HA 0.198 nan 4.420 nan 0.000 0.269 57 P C -0.021 177.178 177.300 -0.167 0.000 1.209 57 P CA 0.119 63.179 63.100 -0.066 0.000 0.776 57 P CB 0.282 31.981 31.700 -0.002 0.000 0.876 58 G N 2.075 110.745 108.800 -0.217 0.000 2.491 58 G HA2 0.220 4.174 3.960 -0.010 0.000 0.238 58 G HA3 0.220 4.174 3.960 -0.010 0.000 0.238 58 G C -0.586 174.183 174.900 -0.219 0.000 1.277 58 G CA -0.270 44.601 45.100 -0.381 0.000 0.851 58 G HN 0.224 nan 8.290 nan 0.000 0.573 59 F N 0.129 119.994 119.950 -0.142 0.000 2.418 59 F HA 0.469 4.990 4.527 -0.009 0.000 0.341 59 F C 0.887 176.723 175.800 0.061 0.000 1.120 59 F CA -1.017 56.888 58.000 -0.158 0.000 1.232 59 F CB 0.809 39.454 39.000 -0.592 0.000 1.175 59 F HN 0.147 nan 8.300 nan 0.000 0.569 60 I N 2.004 122.758 120.570 0.307 0.000 2.436 60 I HA 0.235 4.399 4.170 -0.010 0.000 0.289 60 I C -0.898 175.383 176.117 0.273 0.000 1.010 60 I CA -0.715 60.747 61.300 0.271 0.000 1.098 60 I CB 1.779 39.865 38.000 0.142 0.000 1.266 60 I HN 0.409 nan 8.210 nan 0.000 0.434 61 D N 5.243 125.800 120.400 0.262 0.000 2.381 61 D HA 0.280 4.914 4.640 -0.010 0.000 0.235 61 D C 0.136 176.511 176.300 0.125 0.000 1.068 61 D CA -0.438 53.686 54.000 0.207 0.000 0.832 61 D CB 1.807 42.570 40.800 -0.060 0.000 1.101 61 D HN 0.551 nan 8.370 nan 0.000 0.515 62 C N 2.600 121.977 119.300 0.129 0.000 2.697 62 C HA 0.177 4.631 4.460 -0.010 0.000 0.267 62 C C 0.772 175.791 174.990 0.049 0.000 1.278 62 C CA -0.177 58.868 59.018 0.045 0.000 1.708 62 C CB -1.725 26.023 27.740 0.014 0.000 1.860 62 C HN 0.595 nan 8.230 nan 0.000 0.589 63 H N 0.116 119.144 119.070 -0.069 0.000 3.059 63 H HA 0.471 5.021 4.556 -0.009 0.000 0.302 63 H C -0.739 174.497 175.328 -0.153 0.000 1.264 63 H CA -0.166 55.801 56.048 -0.134 0.000 1.615 63 H CB 0.521 30.189 29.762 -0.156 0.000 1.795 63 H HN 0.109 nan 8.280 nan 0.000 0.556 64 V N 0.851 120.659 119.914 -0.177 0.000 2.960 64 V HA 0.559 4.673 4.120 -0.010 0.000 0.315 64 V C -0.496 175.402 176.094 -0.327 0.000 1.087 64 V CA -0.786 61.437 62.300 -0.128 0.000 0.982 64 V CB 2.360 34.160 31.823 -0.038 0.000 1.039 64 V HN 0.707 nan 8.190 nan 0.000 0.437 65 H N 1.953 121.062 119.070 0.064 0.000 2.736 65 H HA 0.371 4.921 4.556 -0.010 0.000 0.271 65 H C 0.734 176.146 175.328 0.141 0.000 1.184 65 H CA -0.296 55.794 56.048 0.070 0.000 1.378 65 H CB 1.816 31.620 29.762 0.070 0.000 1.428 65 H HN 0.553 nan 8.280 nan 0.000 0.500 66 V N 2.655 122.660 119.914 0.152 0.000 2.546 66 V HA -0.259 3.855 4.120 -0.010 0.000 0.254 66 V C 2.032 178.144 176.094 0.031 0.000 1.076 66 V CA 1.689 64.037 62.300 0.079 0.000 1.087 66 V CB -0.240 31.596 31.823 0.023 0.000 0.674 66 V HN 0.568 nan 8.190 nan 0.000 0.470 67 L N -0.350 120.915 121.223 0.070 0.000 2.585 67 L HA 0.353 4.687 4.340 -0.010 0.000 0.226 67 L C 1.509 178.396 176.870 0.029 0.000 1.113 67 L CA 0.188 55.045 54.840 0.028 0.000 0.876 67 L CB -0.133 41.943 42.059 0.029 0.000 1.072 67 L HN 0.214 nan 8.230 nan 0.000 0.468 68 A N 0.236 123.112 122.820 0.094 0.000 2.897 68 A HA 0.151 4.465 4.320 -0.010 0.000 0.287 68 A C 1.423 179.045 177.584 0.063 0.000 1.748 68 A CA 0.483 52.565 52.037 0.076 0.000 1.397 68 A CB -0.373 18.702 19.000 0.126 0.000 1.049 68 A HN 0.390 nan 8.150 nan 0.000 0.592 69 S N 1.091 116.779 115.700 -0.020 0.000 2.548 69 S HA 0.084 4.548 4.470 -0.010 0.000 0.215 69 S C 0.327 174.892 174.600 -0.059 0.000 0.976 69 S CA 0.141 58.303 58.200 -0.064 0.000 0.908 69 S CB -0.522 62.631 63.200 -0.079 0.000 0.781 69 S HN 0.958 nan 8.310 nan 0.000 0.519 70 N N -1.256 117.417 118.700 -0.046 0.000 2.405 70 N HA 0.630 5.364 4.740 -0.010 0.000 0.274 70 N C 0.282 175.766 175.510 -0.043 0.000 1.170 70 N CA -0.352 52.666 53.050 -0.053 0.000 0.848 70 N CB 1.049 39.501 38.487 -0.058 0.000 1.629 70 N HN -0.064 nan 8.380 nan 0.000 0.481 71 A N 1.197 124.008 122.820 -0.016 0.000 2.070 71 A HA -0.099 4.215 4.320 -0.010 0.000 0.220 71 A C 0.876 178.441 177.584 -0.031 0.000 1.159 71 A CA 0.872 52.915 52.037 0.010 0.000 0.656 71 A CB -0.671 18.385 19.000 0.092 0.000 0.800 71 A HN 0.732 nan 8.150 nan 0.000 0.453 72 N N 0.955 119.623 118.700 -0.053 0.000 2.482 72 N HA 0.248 4.982 4.740 -0.010 0.000 0.242 72 N C 0.654 176.028 175.510 -0.227 0.000 1.100 72 N CA -0.079 52.907 53.050 -0.108 0.000 0.946 72 N CB 0.317 38.764 38.487 -0.067 0.000 1.227 72 N HN 0.347 nan 8.380 nan 0.000 0.508 73 L N 2.180 123.171 121.223 -0.386 0.000 2.131 73 L HA -0.073 4.261 4.340 -0.010 0.000 0.210 73 L C 2.250 178.613 176.870 -0.846 0.000 1.092 73 L CA 1.207 55.653 54.840 -0.657 0.000 0.759 73 L CB -0.395 41.100 42.059 -0.940 0.000 0.903 73 L HN 0.562 nan 8.230 nan 0.000 0.435 74 G N -0.588 107.729 108.800 -0.805 0.000 2.446 74 G HA2 -0.259 3.695 3.960 -0.010 0.000 0.217 74 G HA3 -0.259 3.695 3.960 -0.010 0.000 0.217 74 G C 1.597 176.380 174.900 -0.196 0.000 1.168 74 G CA 1.011 45.868 45.100 -0.405 0.000 0.771 74 G HN 0.225 nan 8.290 nan 0.000 0.551 75 V N 0.685 120.503 119.914 -0.159 0.000 2.871 75 V HA -0.024 4.090 4.120 -0.010 0.000 0.256 75 V C 2.398 178.436 176.094 -0.094 0.000 1.082 75 V CA 1.803 64.048 62.300 -0.091 0.000 1.105 75 V CB -0.275 31.512 31.823 -0.059 0.000 0.713 75 V HN 0.454 nan 8.190 nan 0.000 0.473 76 N N 0.428 119.044 118.700 -0.140 0.000 2.188 76 N HA -0.099 4.635 4.740 -0.010 0.000 0.184 76 N C 1.756 177.214 175.510 -0.086 0.000 1.018 76 N CA 1.479 54.460 53.050 -0.115 0.000 0.858 76 N CB -0.229 38.171 38.487 -0.146 0.000 0.989 76 N HN 0.482 nan 8.380 nan 0.000 0.426 77 A N -0.754 122.005 122.820 -0.103 0.000 1.969 77 A HA -0.079 4.235 4.320 -0.010 0.000 0.218 77 A C 2.080 179.664 177.584 -0.001 0.000 1.169 77 A CA 1.838 53.858 52.037 -0.029 0.000 0.635 77 A CB -0.881 18.124 19.000 0.009 0.000 0.810 77 A HN 0.522 nan 8.150 nan 0.000 0.445 78 T N -1.279 113.266 114.554 -0.015 0.000 3.086 78 T HA 0.139 4.483 4.350 -0.010 0.000 0.250 78 T C 0.801 175.499 174.700 -0.005 0.000 1.074 78 T CA 0.178 62.278 62.100 -0.000 0.000 0.988 78 T CB -0.471 68.397 68.868 -0.001 0.000 0.988 78 T HN 0.690 nan 8.240 nan 0.000 0.530 79 Q N 1.683 121.475 119.800 -0.014 0.000 2.392 79 Q HA 0.340 4.674 4.340 -0.010 0.000 0.262 79 Q C -2.693 173.305 176.000 -0.003 0.000 1.003 79 Q CA -1.980 53.815 55.803 -0.013 0.000 0.888 79 Q CB -0.139 28.585 28.738 -0.022 0.000 1.260 79 Q HN 0.099 nan 8.270 nan 0.000 0.435 80 P HA -0.018 nan 4.420 nan 0.000 0.267 80 P C -0.070 177.232 177.300 0.004 0.000 1.200 80 P CA -0.223 62.879 63.100 0.003 0.000 0.772 80 P CB 0.555 32.255 31.700 -0.000 0.000 0.855 81 N N 1.732 120.438 118.700 0.012 0.000 2.007 81 N HA -0.188 4.546 4.740 -0.010 0.000 0.197 81 N C 1.650 177.165 175.510 0.008 0.000 1.050 81 N CA 1.636 54.695 53.050 0.016 0.000 0.856 81 N CB -1.077 37.424 38.487 0.024 0.000 1.050 81 N HN 0.542 nan 8.380 nan 0.000 0.423 82 I N -0.519 120.055 120.570 0.005 0.000 2.248 82 I HA -0.175 3.989 4.170 -0.010 0.000 0.248 82 I C 2.006 178.118 176.117 -0.007 0.000 1.107 82 I CA 1.495 62.795 61.300 -0.000 0.000 1.373 82 I CB -0.507 37.492 38.000 -0.001 0.000 1.055 82 I HN 0.075 nan 8.210 nan 0.000 0.418 83 L N 0.399 121.616 121.223 -0.009 0.000 2.156 83 L HA -0.067 4.266 4.340 -0.010 0.000 0.208 83 L C 2.834 179.692 176.870 -0.020 0.000 1.095 83 L CA 1.209 56.039 54.840 -0.015 0.000 0.770 83 L CB -0.591 41.459 42.059 -0.015 0.000 0.914 83 L HN 0.473 nan 8.230 nan 0.000 0.439 84 A N -0.176 122.635 122.820 -0.015 0.000 1.902 84 A HA -0.173 4.140 4.320 -0.010 0.000 0.217 84 A C 2.464 180.036 177.584 -0.020 0.000 1.181 84 A CA 1.651 53.677 52.037 -0.017 0.000 0.623 84 A CB -0.586 18.411 19.000 -0.006 0.000 0.818 84 A HN 0.436 nan 8.150 nan 0.000 0.443 85 A N 0.034 122.845 122.820 -0.014 0.000 1.873 85 A HA -0.024 4.290 4.320 -0.010 0.000 0.215 85 A C 1.993 179.560 177.584 -0.029 0.000 1.186 85 A CA 1.583 53.609 52.037 -0.018 0.000 0.616 85 A CB -0.525 18.469 19.000 -0.011 0.000 0.823 85 A HN 0.371 nan 8.150 nan 0.000 0.442 86 I N 0.055 120.608 120.570 -0.028 0.000 2.118 86 I HA -0.231 3.933 4.170 -0.010 0.000 0.241 86 I C 2.421 178.511 176.117 -0.045 0.000 1.070 86 I CA 1.574 62.854 61.300 -0.033 0.000 1.327 86 I CB -1.368 36.615 38.000 -0.029 0.000 1.034 86 I HN 0.334 nan 8.210 nan 0.000 0.405 87 R N 0.556 121.027 120.500 -0.048 0.000 2.293 87 R HA -0.097 4.237 4.340 -0.010 0.000 0.219 87 R C 2.220 178.468 176.300 -0.085 0.000 1.091 87 R CA 1.262 57.323 56.100 -0.065 0.000 1.004 87 R CB -0.194 30.068 30.300 -0.063 0.000 0.865 87 R HN 0.537 nan 8.270 nan 0.000 0.469 88 S N -0.190 115.466 115.700 -0.074 0.000 2.501 88 S HA 0.046 4.510 4.470 -0.010 0.000 0.220 88 S C 1.923 176.471 174.600 -0.087 0.000 0.997 88 S CA 0.063 58.209 58.200 -0.088 0.000 0.919 88 S CB -0.026 63.139 63.200 -0.060 0.000 0.778 88 S HN 0.200 nan 8.310 nan 0.000 0.523 89 L N 1.367 122.549 121.223 -0.069 0.000 2.017 89 L HA 0.017 4.351 4.340 -0.010 0.000 0.208 89 L C -0.541 176.291 176.870 -0.064 0.000 1.073 89 L CA 1.385 56.189 54.840 -0.059 0.000 0.745 89 L CB -1.867 40.163 42.059 -0.048 0.000 0.894 89 L HN 0.278 nan 8.230 nan 0.000 0.432 90 P HA -0.173 nan 4.420 nan 0.000 0.215 90 P C 1.828 179.071 177.300 -0.095 0.000 1.153 90 P CA 1.472 64.526 63.100 -0.077 0.000 0.853 90 P CB 0.036 31.685 31.700 -0.085 0.000 0.788 91 I N -1.425 119.056 120.570 -0.148 0.000 2.208 91 I HA -0.250 3.913 4.170 -0.010 0.000 0.245 91 I C 2.343 178.398 176.117 -0.104 0.000 1.097 91 I CA 1.425 62.597 61.300 -0.213 0.000 1.363 91 I CB -0.653 37.116 38.000 -0.386 0.000 1.051 91 I HN -0.098 nan 8.210 nan 0.000 0.413 92 L N -0.031 121.148 121.223 -0.073 0.000 2.093 92 L HA -0.232 4.102 4.340 -0.010 0.000 0.208 92 L C 2.187 179.054 176.870 -0.004 0.000 1.085 92 L CA 1.330 56.153 54.840 -0.028 0.000 0.755 92 L CB -0.517 41.522 42.059 -0.034 0.000 0.904 92 L HN 0.251 nan 8.230 nan 0.000 0.435 93 D N -0.135 120.255 120.400 -0.017 0.000 2.097 93 D HA -0.163 4.471 4.640 -0.010 0.000 0.195 93 D C 2.162 178.473 176.300 0.019 0.000 0.989 93 D CA 1.392 55.390 54.000 -0.003 0.000 0.827 93 D CB 0.135 40.925 40.800 -0.017 0.000 0.966 93 D HN 0.252 nan 8.370 nan 0.000 0.456 94 A N 0.000 122.828 122.820 0.013 0.000 1.902 94 A HA -0.162 4.152 4.320 -0.010 0.000 0.217 94 A C 2.324 179.972 177.584 0.105 0.000 1.181 94 A CA 1.476 53.537 52.037 0.040 0.000 0.623 94 A CB -0.622 18.386 19.000 0.014 0.000 0.818 94 A HN 0.261 nan 8.150 nan 0.000 0.443 95 M N -1.335 118.335 119.600 0.116 0.000 2.082 95 M HA -0.189 4.285 4.480 -0.010 0.000 0.258 95 M C 2.217 178.687 176.300 0.284 0.000 1.069 95 M CA 1.818 57.243 55.300 0.208 0.000 1.102 95 M CB -0.408 32.266 32.600 0.124 0.000 1.336 95 M HN 0.490 nan 8.290 nan 0.000 0.404 96 L N 0.209 121.529 121.223 0.163 0.000 2.056 96 L HA -0.133 4.201 4.340 -0.010 0.000 0.207 96 L C 2.601 179.529 176.870 0.096 0.000 1.078 96 L CA 2.175 57.090 54.840 0.125 0.000 0.749 96 L CB -0.679 41.417 42.059 0.062 0.000 0.901 96 L HN 0.367 nan 8.230 nan 0.000 0.433 97 S N -1.156 114.594 115.700 0.084 0.000 2.474 97 S HA -0.141 4.323 4.470 -0.010 0.000 0.235 97 S C 1.941 176.592 174.600 0.084 0.000 0.997 97 S CA 0.609 58.843 58.200 0.056 0.000 0.949 97 S CB -0.638 62.585 63.200 0.038 0.000 0.766 97 S HN 0.534 nan 8.310 nan 0.000 0.517 98 R N 0.660 121.264 120.500 0.174 0.000 2.310 98 R HA 0.232 4.566 4.340 -0.010 0.000 0.202 98 R C 1.457 177.856 176.300 0.166 0.000 0.933 98 R CA 0.473 56.715 56.100 0.236 0.000 1.054 98 R CB -0.103 30.455 30.300 0.430 0.000 0.985 98 R HN 0.631 nan 8.270 nan 0.000 0.489 99 G N 0.311 109.131 108.800 0.032 0.000 2.179 99 G HA2 -0.244 3.709 3.960 -0.010 0.000 0.220 99 G HA3 -0.244 3.709 3.960 -0.010 0.000 0.220 99 G C -0.116 174.563 174.900 -0.368 0.000 0.990 99 G CA -0.626 44.304 45.100 -0.282 0.000 0.646 99 G HN 0.185 nan 8.290 nan 0.000 0.517 100 F N 2.459 122.480 119.950 0.118 0.000 2.404 100 F HA 0.466 4.987 4.527 -0.010 0.000 0.359 100 F C 1.780 177.603 175.800 0.038 0.000 1.134 100 F CA 0.628 58.702 58.000 0.124 0.000 1.160 100 F CB 1.455 40.546 39.000 0.152 0.000 1.186 100 F HN 0.088 nan 8.300 nan 0.000 0.526 101 T N -2.327 112.304 114.554 0.130 0.000 3.086 101 T HA 0.257 4.601 4.350 -0.010 0.000 0.250 101 T C 0.449 175.221 174.700 0.121 0.000 1.074 101 T CA -0.122 62.022 62.100 0.072 0.000 0.988 101 T CB 0.085 68.944 68.868 -0.014 0.000 0.988 101 T HN 0.315 nan 8.240 nan 0.000 0.530 102 S N 0.666 116.486 115.700 0.200 0.000 2.543 102 S HA 0.658 5.122 4.470 -0.010 0.000 0.271 102 S C -1.120 173.634 174.600 0.257 0.000 1.148 102 S CA -0.798 57.545 58.200 0.239 0.000 0.914 102 S CB 2.188 65.567 63.200 0.298 0.000 1.096 102 S HN 0.641 nan 8.310 nan 0.000 0.471 103 V N 0.918 120.979 119.914 0.246 0.000 2.841 103 V HA 0.703 4.817 4.120 -0.010 0.000 0.310 103 V C -0.668 175.562 176.094 0.226 0.000 1.090 103 V CA -1.137 61.270 62.300 0.177 0.000 0.930 103 V CB 1.842 33.715 31.823 0.083 0.000 1.014 103 V HN 0.852 nan 8.190 nan 0.000 0.425 104 R N 2.726 123.296 120.500 0.117 0.000 2.205 104 R HA 0.304 4.638 4.340 -0.010 0.000 0.342 104 R C -0.458 175.816 176.300 -0.042 0.000 1.058 104 R CA -0.336 55.806 56.100 0.071 0.000 0.904 104 R CB 0.505 30.794 30.300 -0.018 0.000 1.089 104 R HN 1.008 nan 8.270 nan 0.000 0.471 105 D N 3.065 123.442 120.400 -0.038 0.000 2.308 105 D HA 0.092 4.726 4.640 -0.010 0.000 0.251 105 D C -0.269 175.889 176.300 -0.237 0.000 1.127 105 D CA 0.028 53.943 54.000 -0.143 0.000 0.876 105 D CB 1.621 42.385 40.800 -0.059 0.000 1.176 105 D HN 0.660 nan 8.370 nan 0.000 0.446 106 A N 2.802 125.325 122.820 -0.494 0.000 2.507 106 A HA 0.543 4.857 4.320 -0.010 0.000 0.270 106 A C 0.660 178.138 177.584 -0.175 0.000 1.318 106 A CA 0.307 52.029 52.037 -0.523 0.000 0.924 106 A CB -0.214 18.072 19.000 -1.190 0.000 1.061 106 A HN 0.736 nan 8.150 nan 0.000 0.516 107 G N -2.428 106.346 108.800 -0.044 0.000 2.873 107 G HA2 0.510 4.464 3.960 -0.010 0.000 0.507 107 G HA3 0.510 4.464 3.960 -0.010 0.000 0.507 107 G C 0.441 175.437 174.900 0.161 0.000 1.440 107 G CA 0.272 45.428 45.100 0.095 0.000 1.016 107 G HN 1.898 nan 8.290 nan 0.000 0.615 108 G N 0.660 109.500 108.800 0.067 0.000 2.793 108 G HA2 0.428 4.382 3.960 -0.010 0.000 0.197 108 G HA3 0.428 4.382 3.960 -0.010 0.000 0.197 108 G C 1.134 176.051 174.900 0.029 0.000 2.112 108 G CA 1.317 46.453 45.100 0.060 0.000 1.556 108 G HN 2.542 nan 8.290 nan 0.000 0.534 109 A N 1.605 124.440 122.820 0.025 0.000 2.483 109 A HA 0.533 4.847 4.320 -0.010 0.000 0.238 109 A C 0.450 178.045 177.584 0.018 0.000 1.070 109 A CA 1.442 53.487 52.037 0.013 0.000 0.770 109 A CB -0.025 18.976 19.000 0.001 0.000 1.008 109 A HN 1.193 nan 8.150 nan 0.000 0.497 110 D N -0.090 120.329 120.400 0.031 0.000 2.689 110 D HA 0.187 4.821 4.640 -0.010 0.000 0.255 110 D C 0.581 176.950 176.300 0.115 0.000 1.113 110 D CA -0.689 53.357 54.000 0.077 0.000 1.115 110 D CB -0.267 40.590 40.800 0.095 0.000 1.334 110 D HN 0.551 nan 8.370 nan 0.000 0.621 111 W N 0.553 121.834 121.300 -0.033 0.000 2.402 111 W HA -0.087 4.567 4.660 -0.010 0.000 0.286 111 W C 1.758 178.256 176.519 -0.035 0.000 1.221 111 W CA 2.134 59.457 57.345 -0.037 0.000 1.257 111 W CB -0.144 29.298 29.460 -0.030 0.000 1.120 111 W HN 0.317 nan 8.180 nan 0.000 0.551 112 S N 0.977 116.711 115.700 0.057 0.000 2.368 112 S HA -0.243 4.221 4.470 -0.010 0.000 0.225 112 S C 1.923 176.387 174.600 -0.227 0.000 1.030 112 S CA 1.395 59.496 58.200 -0.166 0.000 0.999 112 S CB -0.989 62.237 63.200 0.042 0.000 0.844 112 S HN 0.378 nan 8.310 nan 0.000 0.459 113 L N 1.099 122.248 121.223 -0.123 0.000 2.046 113 L HA -0.063 4.271 4.340 -0.010 0.000 0.208 113 L C 2.689 179.455 176.870 -0.173 0.000 1.077 113 L CA 1.534 56.304 54.840 -0.117 0.000 0.747 113 L CB -0.360 41.662 42.059 -0.062 0.000 0.896 113 L HN 0.430 nan 8.230 nan 0.000 0.432 114 M N -1.042 118.431 119.600 -0.211 0.000 2.159 114 M HA -0.255 4.219 4.480 -0.010 0.000 0.263 114 M C 2.135 178.230 176.300 -0.342 0.000 1.063 114 M CA 1.643 56.790 55.300 -0.256 0.000 1.110 114 M CB -0.138 32.312 32.600 -0.250 0.000 1.374 114 M HN 0.283 nan 8.290 nan 0.000 0.411 115 Q N 0.178 119.673 119.800 -0.508 0.000 2.119 115 Q HA -0.051 4.283 4.340 -0.010 0.000 0.201 115 Q C 2.162 177.977 176.000 -0.308 0.000 0.972 115 Q CA 1.790 57.284 55.803 -0.515 0.000 0.847 115 Q CB -0.588 27.660 28.738 -0.816 0.000 0.903 115 Q HN 0.715 nan 8.270 nan 0.000 0.433 116 A N 0.790 123.459 122.820 -0.252 0.000 1.969 116 A HA -0.116 4.198 4.320 -0.010 0.000 0.218 116 A C 2.245 179.750 177.584 -0.131 0.000 1.169 116 A CA 1.695 53.634 52.037 -0.163 0.000 0.635 116 A CB -0.637 18.287 19.000 -0.128 0.000 0.810 116 A HN 0.297 nan 8.150 nan 0.000 0.445 117 V N -2.597 117.235 119.914 -0.137 0.000 2.591 117 V HA -0.059 4.055 4.120 -0.010 0.000 0.249 117 V C 1.758 177.784 176.094 -0.112 0.000 1.053 117 V CA 2.159 64.394 62.300 -0.108 0.000 1.068 117 V CB -0.551 31.214 31.823 -0.095 0.000 0.689 117 V HN 0.552 nan 8.190 nan 0.000 0.462 118 E N 1.124 121.237 120.200 -0.146 0.000 2.158 118 E HA -0.094 4.250 4.350 -0.010 0.000 0.191 118 E C 2.244 178.779 176.600 -0.108 0.000 0.982 118 E CA 1.530 57.850 56.400 -0.133 0.000 0.823 118 E CB -0.046 29.554 29.700 -0.167 0.000 0.766 118 E HN 0.893 nan 8.360 nan 0.000 0.468 119 T N -3.396 111.088 114.554 -0.117 0.000 3.081 119 T HA 0.174 4.518 4.350 -0.010 0.000 0.255 119 T C 1.463 176.121 174.700 -0.070 0.000 1.113 119 T CA 0.506 62.553 62.100 -0.089 0.000 1.082 119 T CB 0.592 69.403 68.868 -0.096 0.000 0.939 119 T HN 0.225 nan 8.240 nan 0.000 0.506 120 G N 0.842 109.598 108.800 -0.073 0.000 2.132 120 G HA2 -0.204 3.750 3.960 -0.010 0.000 0.234 120 G HA3 -0.204 3.750 3.960 -0.010 0.000 0.234 120 G C 0.450 175.319 174.900 -0.053 0.000 0.989 120 G CA 0.198 45.264 45.100 -0.057 0.000 0.676 120 G HN 0.465 nan 8.290 nan 0.000 0.522 121 L N -0.352 120.834 121.223 -0.062 0.000 2.376 121 L HA 0.484 4.818 4.340 -0.010 0.000 0.219 121 L C 1.043 177.883 176.870 -0.051 0.000 1.133 121 L CA 1.105 55.912 54.840 -0.055 0.000 0.816 121 L CB 0.380 42.400 42.059 -0.064 0.000 0.933 121 L HN 0.271 nan 8.230 nan 0.000 0.449 122 V N -1.658 118.223 119.914 -0.055 0.000 2.817 122 V HA 0.257 4.371 4.120 -0.010 0.000 0.303 122 V C -0.507 175.560 176.094 -0.046 0.000 1.151 122 V CA -0.776 61.494 62.300 -0.050 0.000 0.929 122 V CB 2.196 33.984 31.823 -0.058 0.000 1.030 122 V HN -0.044 nan 8.190 nan 0.000 0.427 123 S N 2.863 118.541 115.700 -0.036 0.000 2.499 123 S HA 0.831 5.295 4.470 -0.010 0.000 0.275 123 S C 0.178 174.763 174.600 -0.024 0.000 1.257 123 S CA 0.590 58.773 58.200 -0.028 0.000 1.050 123 S CB 0.567 63.755 63.200 -0.020 0.000 0.937 123 S HN 1.452 nan 8.310 nan 0.000 0.490 124 G N 4.522 113.311 108.800 -0.019 0.000 2.342 124 G HA2 0.462 4.416 3.960 -0.010 0.000 0.297 124 G HA3 0.462 4.416 3.960 -0.010 0.000 0.297 124 G C -3.604 171.299 174.900 0.004 0.000 1.313 124 G CA -0.860 44.236 45.100 -0.005 0.000 0.830 124 G HN 0.493 nan 8.290 nan 0.000 0.506 125 P HA 0.351 nan 4.420 nan 0.000 0.274 125 P C -0.168 177.135 177.300 0.004 0.000 1.237 125 P CA -0.552 62.576 63.100 0.047 0.000 0.793 125 P CB 0.589 32.352 31.700 0.105 0.000 0.977 126 R N 2.274 122.770 120.500 -0.008 0.000 2.538 126 R HA 0.125 4.459 4.340 -0.010 0.000 0.282 126 R C -0.442 175.806 176.300 -0.086 0.000 1.009 126 R CA 0.257 56.301 56.100 -0.093 0.000 1.063 126 R CB -0.531 29.694 30.300 -0.124 0.000 0.945 126 R HN 0.422 nan 8.270 nan 0.000 0.414 127 I N 5.053 125.518 120.570 -0.176 0.000 2.412 127 I HA 0.228 4.392 4.170 -0.010 0.000 0.296 127 I C -0.622 175.356 176.117 -0.230 0.000 0.987 127 I CA -0.653 60.590 61.300 -0.095 0.000 1.180 127 I CB 1.376 39.333 38.000 -0.072 0.000 1.340 127 I HN 0.531 nan 8.210 nan 0.000 0.455 128 F N 6.623 126.566 119.950 -0.012 0.000 2.363 128 F HA 0.348 4.869 4.527 -0.010 0.000 0.366 128 F C -2.184 173.601 175.800 -0.025 0.000 1.083 128 F CA -2.219 55.777 58.000 -0.006 0.000 1.176 128 F CB 0.768 39.773 39.000 0.008 0.000 1.432 128 F HN 0.182 nan 8.300 nan 0.000 0.482 129 P HA 0.164 nan 4.420 nan 0.000 0.280 129 P C 0.169 177.484 177.300 0.025 0.000 1.244 129 P CA -0.191 62.938 63.100 0.047 0.000 0.784 129 P CB 1.902 33.627 31.700 0.042 0.000 0.913 130 S N 1.396 117.088 115.700 -0.014 0.000 2.558 130 S HA 0.223 4.687 4.470 -0.010 0.000 0.217 130 S C 1.354 175.930 174.600 -0.040 0.000 0.975 130 S CA 0.627 58.801 58.200 -0.044 0.000 0.912 130 S CB -0.681 62.480 63.200 -0.065 0.000 0.776 130 S HN 0.885 nan 8.310 nan 0.000 0.526 131 G N 2.162 110.948 108.800 -0.024 0.000 2.557 131 G HA2 -0.274 3.680 3.960 -0.010 0.000 0.292 131 G HA3 -0.274 3.680 3.960 -0.010 0.000 0.292 131 G C -0.451 174.411 174.900 -0.064 0.000 1.162 131 G CA 0.031 45.105 45.100 -0.044 0.000 0.964 131 G HN 0.428 nan 8.290 nan 0.000 0.541 132 K N 1.149 121.484 120.400 -0.108 0.000 2.270 132 K HA 0.683 4.997 4.320 -0.010 0.000 0.255 132 K C 0.298 176.863 176.600 -0.059 0.000 0.936 132 K CA -0.108 56.114 56.287 -0.108 0.000 0.809 132 K CB 2.182 34.536 32.500 -0.243 0.000 1.131 132 K HN 0.999 nan 8.250 nan 0.000 0.427 133 A N 3.637 126.453 122.820 -0.008 0.000 2.498 133 A HA 0.170 4.484 4.320 -0.010 0.000 0.239 133 A C 0.126 177.726 177.584 0.026 0.000 1.068 133 A CA -0.141 51.912 52.037 0.026 0.000 0.766 133 A CB -0.087 18.949 19.000 0.060 0.000 1.003 133 A HN 0.653 nan 8.150 nan 0.000 0.497 134 L N 2.172 123.437 121.223 0.070 0.000 2.305 134 L HA 0.488 4.822 4.340 -0.010 0.000 0.281 134 L C 0.618 177.611 176.870 0.206 0.000 1.085 134 L CA -0.111 54.810 54.840 0.135 0.000 0.813 134 L CB 1.241 43.387 42.059 0.145 0.000 1.157 134 L HN 0.693 nan 8.230 nan 0.000 0.436 135 S N 2.344 118.120 115.700 0.127 0.000 2.538 135 S HA 0.371 4.835 4.470 -0.010 0.000 0.288 135 S C -0.537 173.975 174.600 -0.147 0.000 1.108 135 S CA -0.857 57.309 58.200 -0.057 0.000 0.971 135 S CB 1.694 64.812 63.200 -0.137 0.000 1.041 135 S HN 0.664 nan 8.310 nan 0.000 0.483 136 Q N 2.471 121.893 119.800 -0.630 0.000 2.535 136 Q HA 0.350 4.684 4.340 -0.010 0.000 0.228 136 Q C -0.393 175.474 176.000 -0.222 0.000 1.062 136 Q CA -0.208 55.314 55.803 -0.468 0.000 0.967 136 Q CB -0.128 28.180 28.738 -0.717 0.000 1.273 136 Q HN 0.485 nan 8.270 nan 0.000 0.554 137 T N 0.899 115.380 114.554 -0.121 0.000 2.870 137 T HA 0.392 4.736 4.350 -0.010 0.000 0.300 137 T C 0.887 175.532 174.700 -0.092 0.000 0.989 137 T CA 0.632 62.684 62.100 -0.080 0.000 1.139 137 T CB 0.354 69.201 68.868 -0.035 0.000 0.920 137 T HN 0.989 nan 8.240 nan 0.000 0.537 138 G N 2.505 111.251 108.800 -0.090 0.000 2.153 138 G HA2 -0.156 3.798 3.960 -0.010 0.000 0.252 138 G HA3 -0.156 3.798 3.960 -0.010 0.000 0.252 138 G C 0.472 175.313 174.900 -0.099 0.000 0.994 138 G CA -0.078 44.974 45.100 -0.079 0.000 0.698 138 G HN 1.111 nan 8.290 nan 0.000 0.521 139 G N -2.038 106.674 108.800 -0.147 0.000 2.537 139 G HA2 0.471 4.424 3.960 -0.010 0.000 0.297 139 G HA3 0.471 4.424 3.960 -0.010 0.000 0.297 139 G C 0.574 175.385 174.900 -0.147 0.000 1.310 139 G CA 0.371 45.382 45.100 -0.149 0.000 1.027 139 G HN 0.478 nan 8.290 nan 0.000 0.505 140 H N -0.860 118.077 119.070 -0.223 0.000 2.541 140 H HA -0.020 4.530 4.556 -0.009 0.000 0.289 140 H C 2.172 177.247 175.328 -0.423 0.000 1.054 140 H CA 1.700 57.597 56.048 -0.251 0.000 1.250 140 H CB -0.019 29.591 29.762 -0.253 0.000 1.369 140 H HN 0.415 nan 8.280 nan 0.000 0.578 141 G N -1.366 107.129 108.800 -0.508 0.000 3.159 141 G HA2 -0.041 3.913 3.960 -0.010 0.000 0.232 141 G HA3 -0.041 3.913 3.960 -0.010 0.000 0.232 141 G C -0.140 174.236 174.900 -0.873 0.000 1.116 141 G CA -0.055 44.619 45.100 -0.711 0.000 0.767 141 G HN 0.278 nan 8.290 nan 0.000 0.547 142 D N 0.565 120.579 120.400 -0.644 0.000 2.393 142 D HA 0.232 4.866 4.640 -0.010 0.000 0.232 142 D C -0.138 175.887 176.300 -0.459 0.000 1.192 142 D CA -0.751 52.993 54.000 -0.426 0.000 0.882 142 D CB 0.399 41.071 40.800 -0.213 0.000 1.038 142 D HN 0.042 nan 8.370 nan 0.000 0.499 143 F N 2.257 122.191 119.950 -0.027 0.000 2.664 143 F HA 0.231 4.751 4.527 -0.010 0.000 0.301 143 F C 1.246 177.042 175.800 -0.008 0.000 1.126 143 F CA -0.338 57.648 58.000 -0.023 0.000 1.373 143 F CB -0.048 38.933 39.000 -0.032 0.000 1.042 143 F HN -0.028 nan 8.300 nan 0.000 0.535 144 R N 2.162 122.719 120.500 0.095 0.000 2.438 144 R HA 0.212 4.546 4.340 -0.010 0.000 0.287 144 R C -2.097 174.238 176.300 0.058 0.000 1.077 144 R CA -1.559 54.583 56.100 0.070 0.000 1.034 144 R CB -0.096 30.226 30.300 0.037 0.000 0.993 144 R HN -0.033 nan 8.270 nan 0.000 0.459 145 P HA 0.046 nan 4.420 nan 0.000 0.273 145 P C -0.401 176.916 177.300 0.030 0.000 1.250 145 P CA -0.459 62.668 63.100 0.045 0.000 0.793 145 P CB 0.653 32.377 31.700 0.039 0.000 1.011 151 E N 2.679 122.885 120.200 0.009 0.000 2.317 151 E HA 0.747 5.091 4.350 -0.010 0.000 0.270 151 E C -2.847 173.758 176.600 0.009 0.000 0.899 151 E CA -1.293 55.113 56.400 0.011 0.000 0.814 151 E CB 1.697 31.404 29.700 0.011 0.000 1.296 151 E HN 0.734 nan 8.360 nan 0.000 0.404 152 P HA 0.380 nan 4.420 nan 0.000 0.292 152 P C -0.584 176.722 177.300 0.009 0.000 1.283 152 P CA -0.627 62.477 63.100 0.007 0.000 0.835 152 P CB 1.206 32.909 31.700 0.005 0.000 1.017 153 C N 0.635 119.940 119.300 0.009 0.000 2.097 153 C HA 0.618 5.072 4.460 -0.010 0.000 0.316 153 C C 0.545 175.537 174.990 0.003 0.000 2.863 153 C CA 0.030 59.055 59.018 0.012 0.000 1.809 153 C CB 0.487 28.237 27.740 0.017 0.000 2.092 153 C HN 0.707 nan 8.230 nan 0.000 0.382 154 S N -0.406 115.292 115.700 -0.002 0.000 2.423 154 S HA 0.259 4.722 4.470 -0.010 0.000 0.213 154 S C -0.621 173.947 174.600 -0.054 0.000 1.131 154 S CA -0.431 57.762 58.200 -0.011 0.000 1.155 154 S CB 0.228 63.441 63.200 0.021 0.000 1.202 154 S HN 0.764 nan 8.310 nan 0.000 0.441 155 C N 4.031 123.280 119.300 -0.085 0.000 2.271 155 C HA 0.569 5.023 4.460 -0.010 0.000 0.364 155 C C 0.359 175.197 174.990 -0.253 0.000 1.337 155 C CA -0.019 58.902 59.018 -0.161 0.000 1.753 155 C CB -2.423 25.245 27.740 -0.120 0.000 2.123 155 C HN 0.822 nan 8.230 nan 0.000 0.577 156 C N -0.013 119.134 119.300 -0.254 0.000 2.811 156 C HA 0.430 4.884 4.460 -0.010 0.000 0.352 156 C C -0.599 174.298 174.990 -0.155 0.000 1.098 156 C CA -0.884 57.973 59.018 -0.269 0.000 1.295 156 C CB 0.643 28.315 27.740 -0.114 0.000 1.758 156 C HN 0.568 nan 8.230 nan 0.000 0.488 157 F N 5.065 125.027 119.950 0.019 0.000 2.438 157 F HA 0.363 4.884 4.527 -0.010 0.000 0.360 157 F C 1.297 177.112 175.800 0.023 0.000 1.118 157 F CA -0.386 57.629 58.000 0.024 0.000 1.164 157 F CB 0.595 39.611 39.000 0.025 0.000 1.131 157 F HN 0.342 nan 8.300 nan 0.000 0.527 158 R N 1.539 122.176 120.500 0.228 0.000 2.438 158 R HA 0.102 4.436 4.340 -0.010 0.000 0.287 158 R C 1.017 177.382 176.300 0.110 0.000 1.077 158 R CA 0.033 56.210 56.100 0.129 0.000 1.034 158 R CB 0.537 30.895 30.300 0.098 0.000 0.993 158 R HN 0.650 nan 8.270 nan 0.000 0.459 159 T N -1.395 113.205 114.554 0.076 0.000 3.160 159 T HA -0.003 4.341 4.350 -0.010 0.000 0.257 159 T C 1.408 176.129 174.700 0.036 0.000 1.147 159 T CA 0.692 62.826 62.100 0.056 0.000 1.064 159 T CB 0.204 69.099 68.868 0.046 0.000 0.949 159 T HN 0.740 nan 8.240 nan 0.000 0.526 160 G N 0.324 109.143 108.800 0.032 0.000 3.324 160 G HA2 0.561 4.515 3.960 -0.010 0.000 0.251 160 G HA3 0.561 4.515 3.960 -0.010 0.000 0.251 160 G C 0.362 175.270 174.900 0.012 0.000 1.072 160 G CA -0.118 44.990 45.100 0.012 0.000 0.787 160 G HN 0.702 nan 8.290 nan 0.000 0.537 161 A N 0.766 123.611 122.820 0.042 0.000 2.366 161 A HA 0.565 4.879 4.320 -0.010 0.000 0.272 161 A C 1.200 178.817 177.584 0.056 0.000 1.135 161 A CA -0.429 51.648 52.037 0.066 0.000 0.804 161 A CB 0.511 19.575 19.000 0.106 0.000 1.064 161 A HN 0.055 nan 8.150 nan 0.000 0.499 162 I N 1.277 121.894 120.570 0.078 0.000 2.353 162 I HA -0.014 4.150 4.170 -0.010 0.000 0.248 162 I C 1.491 177.651 176.117 0.072 0.000 1.119 162 I CA 1.644 62.990 61.300 0.078 0.000 1.417 162 I CB -1.388 36.630 38.000 0.030 0.000 1.078 162 I HN 0.681 nan 8.210 nan 0.000 0.421 163 A N 0.925 123.793 122.820 0.080 0.000 2.486 163 A HA 0.815 5.129 4.320 -0.010 0.000 0.289 163 A C -0.145 177.441 177.584 0.004 0.000 1.176 163 A CA -0.654 51.393 52.037 0.017 0.000 0.757 163 A CB 1.630 20.610 19.000 -0.033 0.000 1.337 163 A HN 0.258 nan 8.150 nan 0.000 0.423 164 R N -0.505 119.989 120.500 -0.011 0.000 2.795 164 R HA 0.733 5.067 4.340 -0.010 0.000 0.275 164 R C -1.883 174.449 176.300 0.055 0.000 0.981 164 R CA -0.730 55.397 56.100 0.045 0.000 0.917 164 R CB 1.562 31.872 30.300 0.018 0.000 1.202 164 R HN 0.309 nan 8.270 nan 0.000 0.469 165 V N 2.492 122.452 119.914 0.077 0.000 2.383 165 V HA 0.456 4.570 4.120 -0.010 0.000 0.275 165 V C -0.232 175.918 176.094 0.094 0.000 1.036 165 V CA -0.462 61.868 62.300 0.051 0.000 0.889 165 V CB 1.185 33.019 31.823 0.018 0.000 0.985 165 V HN 0.642 nan 8.190 nan 0.000 0.459 166 V N 1.597 121.585 119.914 0.123 0.000 2.777 166 V HA 0.718 4.832 4.120 -0.010 0.000 0.306 166 V C -1.278 174.939 176.094 0.205 0.000 1.112 166 V CA -0.896 61.489 62.300 0.142 0.000 0.917 166 V CB 1.998 33.902 31.823 0.134 0.000 1.018 166 V HN 0.760 nan 8.190 nan 0.000 0.426 167 D N 1.871 122.361 120.400 0.150 0.000 2.433 167 D HA 0.841 5.475 4.640 -0.010 0.000 0.236 167 D C 0.239 176.607 176.300 0.113 0.000 1.026 167 D CA 0.568 54.673 54.000 0.176 0.000 0.884 167 D CB 1.869 42.735 40.800 0.110 0.000 1.384 167 D HN 1.497 nan 8.370 nan 0.000 0.477 168 G N -0.739 108.127 108.800 0.110 0.000 2.705 168 G HA2 -0.170 3.784 3.960 -0.010 0.000 0.686 168 G HA3 -0.170 3.784 3.960 -0.010 0.000 0.686 168 G C 0.681 175.591 174.900 0.016 0.000 1.285 168 G CA -0.498 44.635 45.100 0.055 0.000 0.800 168 G HN 0.415 nan 8.290 nan 0.000 0.611 169 V N 1.398 121.314 119.914 0.003 0.000 2.255 169 V HA -0.183 3.931 4.120 -0.010 0.000 0.247 169 V C 2.710 178.794 176.094 -0.018 0.000 1.051 169 V CA 2.824 65.113 62.300 -0.020 0.000 1.018 169 V CB -0.459 31.357 31.823 -0.012 0.000 0.641 169 V HN 0.799 nan 8.190 nan 0.000 0.445 170 E N 0.464 120.661 120.200 -0.004 0.000 2.106 170 E HA -0.104 4.240 4.350 -0.010 0.000 0.192 170 E C 2.348 178.950 176.600 0.002 0.000 0.984 170 E CA 1.278 57.677 56.400 -0.002 0.000 0.806 170 E CB -0.739 28.963 29.700 0.003 0.000 0.750 170 E HN 0.620 nan 8.360 nan 0.000 0.458 171 G N 1.932 110.739 108.800 0.012 0.000 2.459 171 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.217 171 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.217 171 G C 1.848 176.757 174.900 0.015 0.000 1.183 171 G CA 1.905 47.020 45.100 0.024 0.000 0.776 171 G HN 0.315 nan 8.290 nan 0.000 0.552 172 V N -1.325 118.580 119.914 -0.015 0.000 2.548 172 V HA 0.075 4.189 4.120 -0.010 0.000 0.249 172 V C 2.505 178.569 176.094 -0.050 0.000 1.055 172 V CA 1.970 64.237 62.300 -0.055 0.000 1.065 172 V CB -0.598 31.123 31.823 -0.171 0.000 0.681 172 V HN 0.304 nan 8.190 nan 0.000 0.462 173 R N -0.312 120.165 120.500 -0.039 0.000 2.073 173 R HA -0.104 4.230 4.340 -0.010 0.000 0.234 173 R C 2.285 178.575 176.300 -0.018 0.000 1.134 173 R CA 2.050 58.132 56.100 -0.031 0.000 0.952 173 R CB -0.404 29.882 30.300 -0.022 0.000 0.850 173 R HN 0.564 nan 8.270 nan 0.000 0.433 174 L N 0.401 121.621 121.223 -0.005 0.000 2.027 174 L HA -0.023 4.311 4.340 -0.010 0.000 0.206 174 L C 2.195 179.072 176.870 0.013 0.000 1.074 174 L CA 2.121 56.965 54.840 0.006 0.000 0.745 174 L CB -0.778 41.290 42.059 0.015 0.000 0.898 174 L HN 0.177 nan 8.230 nan 0.000 0.433 175 A N -0.933 121.899 122.820 0.019 0.000 1.917 175 A HA -0.185 4.129 4.320 -0.010 0.000 0.219 175 A C 2.258 179.839 177.584 -0.005 0.000 1.182 175 A CA 2.260 54.312 52.037 0.024 0.000 0.633 175 A CB -1.185 17.835 19.000 0.034 0.000 0.819 175 A HN 0.347 nan 8.150 nan 0.000 0.448 176 V N -0.185 119.716 119.914 -0.022 0.000 2.307 176 V HA -0.263 3.851 4.120 -0.010 0.000 0.245 176 V C 2.596 178.673 176.094 -0.029 0.000 1.045 176 V CA 2.198 64.478 62.300 -0.034 0.000 1.024 176 V CB -0.847 30.950 31.823 -0.043 0.000 0.651 176 V HN 0.538 nan 8.190 nan 0.000 0.449 177 R N -0.021 120.467 120.500 -0.021 0.000 2.091 177 R HA -0.219 4.115 4.340 -0.010 0.000 0.238 177 R C 2.302 178.591 176.300 -0.018 0.000 1.136 177 R CA 1.943 58.031 56.100 -0.020 0.000 0.959 177 R CB -0.372 29.920 30.300 -0.014 0.000 0.856 177 R HN 0.644 nan 8.270 nan 0.000 0.437 178 E N 0.340 120.538 120.200 -0.004 0.000 2.023 178 E HA -0.201 4.143 4.350 -0.010 0.000 0.196 178 E C 2.040 178.630 176.600 -0.017 0.000 1.003 178 E CA 1.125 57.528 56.400 0.005 0.000 0.809 178 E CB -0.006 29.722 29.700 0.048 0.000 0.755 178 E HN 0.246 nan 8.360 nan 0.000 0.449 179 E N 0.573 120.755 120.200 -0.029 0.000 2.085 179 E HA -0.185 4.159 4.350 -0.010 0.000 0.194 179 E C 2.192 178.763 176.600 -0.049 0.000 0.994 179 E CA 0.904 57.275 56.400 -0.049 0.000 0.801 179 E CB -0.262 29.402 29.700 -0.061 0.000 0.743 179 E HN 0.334 nan 8.360 nan 0.000 0.453 180 I N 1.122 121.664 120.570 -0.047 0.000 2.315 180 I HA -0.256 3.908 4.170 -0.010 0.000 0.248 180 I C 2.764 178.839 176.117 -0.069 0.000 1.117 180 I CA 0.937 62.207 61.300 -0.050 0.000 1.404 180 I CB -0.144 37.831 38.000 -0.042 0.000 1.071 180 I HN 0.077 nan 8.210 nan 0.000 0.419 181 Q N 1.526 121.284 119.800 -0.070 0.000 2.050 181 Q HA -0.236 4.098 4.340 -0.010 0.000 0.202 181 Q C 1.953 177.861 176.000 -0.152 0.000 0.980 181 Q CA 1.670 57.414 55.803 -0.098 0.000 0.840 181 Q CB -0.064 28.631 28.738 -0.072 0.000 0.898 181 Q HN 0.481 nan 8.270 nan 0.000 0.424 182 K N -0.886 119.445 120.400 -0.115 0.000 2.519 182 K HA -0.033 4.281 4.320 -0.010 0.000 0.196 182 K C 0.878 177.374 176.600 -0.173 0.000 1.041 182 K CA 0.608 56.812 56.287 -0.138 0.000 0.954 182 K CB -0.033 32.440 32.500 -0.046 0.000 0.774 182 K HN 0.459 nan 8.250 nan 0.000 0.480 183 G N 0.981 109.692 108.800 -0.148 0.000 2.141 183 G HA2 -0.224 3.730 3.960 -0.010 0.000 0.195 183 G HA3 -0.224 3.730 3.960 -0.010 0.000 0.195 183 G C 0.147 175.090 174.900 0.071 0.000 1.012 183 G CA -0.177 44.868 45.100 -0.092 0.000 0.696 183 G HN 0.457 nan 8.290 nan 0.000 0.508 184 A N -0.054 122.781 122.820 0.024 0.000 2.520 184 A HA 0.589 4.903 4.320 -0.010 0.000 0.235 184 A C 1.700 179.300 177.584 0.026 0.000 1.065 184 A CA 1.655 53.704 52.037 0.021 0.000 0.764 184 A CB 0.240 19.224 19.000 -0.026 0.000 1.002 184 A HN 1.631 nan 8.150 nan 0.000 0.502 185 T N -1.364 113.214 114.554 0.041 0.000 3.037 185 T HA 0.235 4.579 4.350 -0.010 0.000 0.252 185 T C 0.544 175.204 174.700 -0.067 0.000 1.073 185 T CA 0.806 62.942 62.100 0.059 0.000 1.091 185 T CB -0.046 68.944 68.868 0.203 0.000 0.935 185 T HN 0.973 nan 8.240 nan 0.000 0.488 186 Q N 0.249 119.951 119.800 -0.162 0.000 2.648 186 Q HA 0.486 4.820 4.340 -0.010 0.000 0.300 186 Q C -2.048 173.798 176.000 -0.257 0.000 0.954 186 Q CA -1.116 54.445 55.803 -0.403 0.000 0.757 186 Q CB 1.049 29.247 28.738 -0.899 0.000 1.482 186 Q HN 0.168 nan 8.270 nan 0.000 0.437 187 I N 1.312 121.720 120.570 -0.270 0.000 2.406 187 I HA 0.435 4.599 4.170 -0.010 0.000 0.290 187 I C -0.336 175.729 176.117 -0.086 0.000 0.999 187 I CA -0.581 60.637 61.300 -0.136 0.000 1.124 187 I CB 1.445 39.384 38.000 -0.102 0.000 1.289 187 I HN 0.708 nan 8.210 nan 0.000 0.441 188 K N 7.824 128.201 120.400 -0.038 0.000 2.206 188 K HA 0.741 5.054 4.320 -0.010 0.000 0.264 188 K C -0.842 175.798 176.600 0.068 0.000 0.967 188 K CA -0.412 55.888 56.287 0.021 0.000 0.844 188 K CB 1.316 33.825 32.500 0.016 0.000 1.099 188 K HN 0.642 nan 8.250 nan 0.000 0.441 189 I N -0.362 120.279 120.570 0.118 0.000 3.002 189 I HA 0.559 4.723 4.170 -0.010 0.000 0.310 189 I C -0.858 175.396 176.117 0.230 0.000 1.087 189 I CA -1.148 60.264 61.300 0.187 0.000 1.017 189 I CB 2.088 40.209 38.000 0.201 0.000 1.226 189 I HN 0.335 nan 8.210 nan 0.000 0.443 190 M N 3.468 123.211 119.600 0.239 0.000 2.047 190 M HA 0.410 4.884 4.480 -0.010 0.000 0.342 190 M C 0.220 176.642 176.300 0.203 0.000 1.058 190 M CA -0.416 55.005 55.300 0.202 0.000 0.991 190 M CB 0.722 33.363 32.600 0.068 0.000 1.474 190 M HN 0.904 nan 8.290 nan 0.000 0.419 191 A N 2.426 125.391 122.820 0.241 0.000 2.387 191 A HA 0.440 4.754 4.320 -0.010 0.000 0.234 191 A C 0.610 178.275 177.584 0.136 0.000 1.253 191 A CA 0.213 52.363 52.037 0.188 0.000 0.894 191 A CB 0.162 19.258 19.000 0.159 0.000 0.963 191 A HN 0.787 nan 8.150 nan 0.000 0.508 192 S N -2.349 113.453 115.700 0.170 0.000 2.611 192 S HA 0.620 5.084 4.470 -0.010 0.000 0.268 192 S C 0.238 174.926 174.600 0.147 0.000 1.156 192 S CA -0.167 58.114 58.200 0.134 0.000 0.817 192 S CB 0.386 63.646 63.200 0.101 0.000 1.122 192 S HN 1.043 nan 8.310 nan 0.000 0.466 193 G N -0.449 108.414 108.800 0.105 0.000 2.699 193 G HA2 0.521 4.475 3.960 -0.010 0.000 0.246 193 G HA3 0.521 4.475 3.960 -0.010 0.000 0.246 193 G C 0.435 175.396 174.900 0.102 0.000 1.219 193 G CA 0.036 45.181 45.100 0.074 0.000 0.866 193 G HN 1.326 nan 8.290 nan 0.000 0.572 194 G N -2.122 106.632 108.800 -0.075 0.000 3.107 194 G HA2 0.457 4.411 3.960 -0.010 0.000 0.233 194 G HA3 0.457 4.411 3.960 -0.010 0.000 0.233 194 G C 0.158 175.078 174.900 0.032 0.000 1.168 194 G CA 0.482 45.486 45.100 -0.160 0.000 0.801 194 G HN 0.733 nan 8.290 nan 0.000 0.605 195 V N 0.218 120.234 119.914 0.171 0.000 2.911 195 V HA 0.296 4.410 4.120 -0.010 0.000 0.237 195 V C 2.627 178.869 176.094 0.247 0.000 1.156 195 V CA 1.412 63.817 62.300 0.175 0.000 1.180 195 V CB 0.286 32.217 31.823 0.179 0.000 0.932 195 V HN 0.795 nan 8.190 nan 0.000 0.483 196 A N 1.010 124.057 122.820 0.378 0.000 2.252 196 A HA 0.256 4.570 4.320 -0.010 0.000 0.207 196 A C 1.012 178.788 177.584 0.320 0.000 1.194 196 A CA 0.686 52.887 52.037 0.273 0.000 0.809 196 A CB -0.517 18.602 19.000 0.199 0.000 0.814 196 A HN 0.586 nan 8.150 nan 0.000 0.482 197 S N -1.133 114.773 115.700 0.342 0.000 2.532 197 S HA 0.579 5.043 4.470 -0.010 0.000 0.301 197 S C -1.996 172.717 174.600 0.190 0.000 1.083 197 S CA -1.372 57.004 58.200 0.293 0.000 1.025 197 S CB 1.980 65.273 63.200 0.156 0.000 1.056 197 S HN 0.077 nan 8.310 nan 0.000 0.494 198 P HA -0.054 nan 4.420 nan 0.000 0.216 198 P C 1.268 178.606 177.300 0.065 0.000 1.153 198 P CA 1.629 64.791 63.100 0.104 0.000 0.844 198 P CB -0.266 31.495 31.700 0.102 0.000 0.787 199 T N -4.218 110.363 114.554 0.045 0.000 2.971 199 T HA 0.052 4.396 4.350 -0.010 0.000 0.252 199 T C 0.387 175.098 174.700 0.019 0.000 1.022 199 T CA -0.339 61.775 62.100 0.024 0.000 0.980 199 T CB -0.503 68.370 68.868 0.007 0.000 1.044 199 T HN 0.072 nan 8.240 nan 0.000 0.501 200 D N 3.186 123.604 120.400 0.030 0.000 2.373 200 D HA 0.323 4.957 4.640 -0.010 0.000 0.227 200 D C -2.824 173.493 176.300 0.028 0.000 1.091 200 D CA -2.122 51.893 54.000 0.025 0.000 0.840 200 D CB 1.540 42.356 40.800 0.028 0.000 1.060 200 D HN 0.158 nan 8.370 nan 0.000 0.502 201 P HA -0.027 nan 4.420 nan 0.000 0.267 201 P C 1.225 178.528 177.300 0.006 0.000 1.200 201 P CA -0.418 62.684 63.100 0.002 0.000 0.772 201 P CB 1.393 33.091 31.700 -0.004 0.000 0.855 202 I N 1.000 121.560 120.570 -0.017 0.000 2.676 202 I HA -0.151 4.013 4.170 -0.010 0.000 0.259 202 I C 1.603 177.736 176.117 0.026 0.000 1.194 202 I CA 1.360 62.655 61.300 -0.009 0.000 1.473 202 I CB -0.264 37.648 38.000 -0.146 0.000 1.096 202 I HN 0.268 nan 8.210 nan 0.000 0.443 203 A N 1.640 124.460 122.820 -0.000 0.000 2.119 203 A HA -0.124 4.190 4.320 -0.010 0.000 0.217 203 A C 1.058 178.655 177.584 0.022 0.000 1.153 203 A CA 0.697 52.738 52.037 0.007 0.000 0.692 203 A CB -1.090 17.903 19.000 -0.011 0.000 0.799 203 A HN 0.821 nan 8.150 nan 0.000 0.458 204 N N 0.040 118.755 118.700 0.025 0.000 2.530 204 N HA 0.305 5.039 4.740 -0.010 0.000 0.277 204 N C -0.036 175.496 175.510 0.035 0.000 1.168 204 N CA 0.194 53.258 53.050 0.024 0.000 0.979 204 N CB 0.673 39.168 38.487 0.014 0.000 1.141 204 N HN 0.134 nan 8.380 nan 0.000 0.459 205 T N -0.723 113.850 114.554 0.031 0.000 2.922 205 T HA 0.260 4.604 4.350 -0.010 0.000 0.285 205 T C -0.338 174.379 174.700 0.028 0.000 1.005 205 T CA -0.735 61.389 62.100 0.040 0.000 1.061 205 T CB 1.357 70.250 68.868 0.042 0.000 1.007 205 T HN 0.637 nan 8.240 nan 0.000 0.502 206 Q N 0.629 120.450 119.800 0.035 0.000 2.394 206 Q HA 0.435 4.768 4.340 -0.010 0.000 0.273 206 Q C -1.438 174.595 176.000 0.056 0.000 1.089 206 Q CA -0.966 54.819 55.803 -0.030 0.000 0.812 206 Q CB 2.371 31.048 28.738 -0.103 0.000 1.353 206 Q HN 0.876 nan 8.270 nan 0.000 0.438 207 Y N -0.332 119.986 120.300 0.029 0.000 2.543 207 Y HA -0.307 4.237 4.550 -0.010 0.000 0.026 207 Y C 0.646 176.559 175.900 0.022 0.000 1.737 207 Y CA 0.061 58.175 58.100 0.024 0.000 1.393 207 Y CB -0.346 38.130 38.460 0.027 0.000 2.040 207 Y HN 0.843 nan 8.280 nan 0.000 0.260 208 S N 1.626 117.452 115.700 0.209 0.000 2.612 208 S HA 0.082 4.546 4.470 -0.010 0.000 0.253 208 S C 0.863 175.516 174.600 0.088 0.000 1.346 208 S CA 0.130 58.398 58.200 0.114 0.000 0.976 208 S CB 0.991 64.240 63.200 0.081 0.000 0.949 208 S HN 0.690 nan 8.310 nan 0.000 0.584 209 E N 0.166 120.397 120.200 0.052 0.000 2.216 209 E HA -0.089 4.255 4.350 -0.010 0.000 0.192 209 E C 1.108 177.715 176.600 0.012 0.000 0.988 209 E CA 0.756 57.175 56.400 0.031 0.000 0.834 209 E CB -0.185 29.530 29.700 0.025 0.000 0.772 209 E HN 0.609 nan 8.360 nan 0.000 0.479 210 D N 1.378 121.785 120.400 0.012 0.000 2.144 210 D HA -0.130 4.504 4.640 -0.010 0.000 0.200 210 D C 1.710 177.993 176.300 -0.029 0.000 0.978 210 D CA 0.987 54.985 54.000 -0.002 0.000 0.833 210 D CB -0.010 40.794 40.800 0.006 0.000 0.961 210 D HN 0.250 nan 8.370 nan 0.000 0.470 211 E N 0.330 120.505 120.200 -0.041 0.000 2.028 211 E HA -0.093 4.251 4.350 -0.010 0.000 0.191 211 E C 2.390 178.874 176.600 -0.194 0.000 0.988 211 E CA 0.556 56.872 56.400 -0.140 0.000 0.799 211 E CB -0.014 29.572 29.700 -0.190 0.000 0.755 211 E HN 0.266 nan 8.360 nan 0.000 0.447 212 I N 0.732 121.220 120.570 -0.136 0.000 2.163 212 I HA -0.303 3.861 4.170 -0.010 0.000 0.243 212 I C 2.595 178.672 176.117 -0.066 0.000 1.085 212 I CA 1.178 62.416 61.300 -0.103 0.000 1.347 212 I CB -0.370 37.620 38.000 -0.016 0.000 1.044 212 I HN 0.054 nan 8.210 nan 0.000 0.408 213 R N 0.791 121.268 120.500 -0.039 0.000 2.096 213 R HA -0.203 4.131 4.340 -0.010 0.000 0.240 213 R C 2.516 178.797 176.300 -0.031 0.000 1.139 213 R CA 1.759 57.846 56.100 -0.023 0.000 0.952 213 R CB -0.529 29.765 30.300 -0.010 0.000 0.854 213 R HN 0.417 nan 8.270 nan 0.000 0.436 214 A N 1.092 123.884 122.820 -0.047 0.000 1.892 214 A HA -0.210 4.104 4.320 -0.010 0.000 0.218 214 A C 2.147 179.697 177.584 -0.057 0.000 1.188 214 A CA 1.599 53.606 52.037 -0.049 0.000 0.631 214 A CB -0.597 18.368 19.000 -0.059 0.000 0.822 214 A HN 0.241 nan 8.150 nan 0.000 0.447 215 I N -0.635 119.882 120.570 -0.087 0.000 2.163 215 I HA -0.234 3.930 4.170 -0.010 0.000 0.243 215 I C 2.378 178.468 176.117 -0.046 0.000 1.085 215 I CA 1.302 62.551 61.300 -0.085 0.000 1.347 215 I CB -0.414 37.508 38.000 -0.129 0.000 1.044 215 I HN 0.163 nan 8.210 nan 0.000 0.408 216 V N 0.839 120.736 119.914 -0.030 0.000 2.324 216 V HA -0.338 3.776 4.120 -0.010 0.000 0.250 216 V C 2.076 178.172 176.094 0.004 0.000 1.060 216 V CA 2.159 64.460 62.300 0.001 0.000 1.042 216 V CB -0.702 31.129 31.823 0.013 0.000 0.650 216 V HN 0.424 nan 8.190 nan 0.000 0.450 217 D N -0.519 119.878 120.400 -0.005 0.000 2.097 217 D HA -0.122 4.512 4.640 -0.010 0.000 0.197 217 D C 2.306 178.604 176.300 -0.004 0.000 0.984 217 D CA 0.970 54.969 54.000 -0.001 0.000 0.826 217 D CB -0.254 40.543 40.800 -0.005 0.000 0.973 217 D HN 0.387 nan 8.370 nan 0.000 0.460 218 E N 0.691 120.882 120.200 -0.015 0.000 2.110 218 E HA -0.104 4.240 4.350 -0.010 0.000 0.193 218 E C 2.048 178.637 176.600 -0.018 0.000 0.988 218 E CA 0.798 57.188 56.400 -0.018 0.000 0.804 218 E CB -0.315 29.369 29.700 -0.027 0.000 0.745 218 E HN 0.232 nan 8.360 nan 0.000 0.458 219 A N 1.379 124.187 122.820 -0.019 0.000 1.877 219 A HA -0.198 4.116 4.320 -0.010 0.000 0.216 219 A C 2.060 179.648 177.584 0.006 0.000 1.186 219 A CA 1.518 53.543 52.037 -0.021 0.000 0.620 219 A CB -0.441 18.542 19.000 -0.030 0.000 0.822 219 A HN 0.204 nan 8.150 nan 0.000 0.443 220 E N -0.328 119.885 120.200 0.022 0.000 2.150 220 E HA -0.053 4.291 4.350 -0.010 0.000 0.193 220 E C 2.188 178.803 176.600 0.025 0.000 0.985 220 E CA 0.724 57.146 56.400 0.036 0.000 0.814 220 E CB -0.252 29.472 29.700 0.040 0.000 0.752 220 E HN 0.616 nan 8.360 nan 0.000 0.466 221 A N 1.123 123.950 122.820 0.013 0.000 2.019 221 A HA -0.045 4.269 4.320 -0.010 0.000 0.219 221 A C 2.054 179.643 177.584 0.007 0.000 1.164 221 A CA 1.477 53.518 52.037 0.008 0.000 0.644 221 A CB -0.174 18.826 19.000 0.001 0.000 0.805 221 A HN 0.229 nan 8.150 nan 0.000 0.449 222 A N -0.361 122.462 122.820 0.005 0.000 2.610 222 A HA 0.348 4.662 4.320 -0.010 0.000 0.286 222 A C 0.377 177.972 177.584 0.018 0.000 1.306 222 A CA -0.059 51.981 52.037 0.004 0.000 0.942 222 A CB -0.449 18.545 19.000 -0.009 0.000 1.112 222 A HN 0.477 nan 8.150 nan 0.000 0.527 223 N N 0.395 119.113 118.700 0.030 0.000 2.714 223 N HA -0.155 4.579 4.740 -0.010 0.000 0.252 223 N C 0.101 175.653 175.510 0.070 0.000 1.014 223 N CA 1.647 54.728 53.050 0.051 0.000 0.735 223 N CB -1.489 37.027 38.487 0.047 0.000 0.924 223 N HN 0.646 nan 8.380 nan 0.000 0.540 224 T N -1.398 113.194 114.554 0.063 0.000 2.618 224 T HA 0.704 5.048 4.350 -0.010 0.000 0.286 224 T C -1.387 173.380 174.700 0.111 0.000 1.027 224 T CA -0.606 61.543 62.100 0.081 0.000 1.063 224 T CB 1.293 70.127 68.868 -0.056 0.000 1.440 224 T HN 0.237 nan 8.240 nan 0.000 0.505 225 Y N -1.277 119.031 120.300 0.014 0.000 2.665 225 Y HA 0.852 5.396 4.550 -0.010 0.000 0.336 225 Y C -1.284 174.623 175.900 0.012 0.000 1.085 225 Y CA -1.332 56.778 58.100 0.017 0.000 1.096 225 Y CB 0.761 39.234 38.460 0.022 0.000 1.301 225 Y HN 0.330 nan 8.280 nan 0.000 0.493 226 V N 3.992 123.980 119.914 0.124 0.000 2.435 226 V HA 0.369 4.483 4.120 -0.010 0.000 0.290 226 V C 0.107 176.318 176.094 0.195 0.000 1.030 226 V CA -0.863 61.469 62.300 0.054 0.000 0.881 226 V CB 1.242 33.095 31.823 0.051 0.000 0.983 226 V HN 0.841 nan 8.190 nan 0.000 0.445 227 M N 3.690 123.366 119.600 0.126 0.000 2.264 227 M HA 0.918 5.392 4.480 -0.010 0.000 0.352 227 M C -0.452 175.924 176.300 0.127 0.000 1.173 227 M CA -0.352 55.045 55.300 0.162 0.000 1.075 227 M CB 1.677 34.369 32.600 0.154 0.000 1.621 227 M HN 0.559 nan 8.290 nan 0.000 0.457 228 A N 1.766 124.664 122.820 0.130 0.000 2.359 228 A HA 0.499 4.813 4.320 -0.010 0.000 0.303 228 A C -1.411 176.264 177.584 0.152 0.000 1.066 228 A CA -0.665 51.458 52.037 0.144 0.000 0.730 228 A CB 0.675 19.742 19.000 0.113 0.000 1.211 228 A HN 1.013 nan 8.150 nan 0.000 0.439 229 H N 1.881 121.020 119.070 0.114 0.000 2.742 229 H HA 0.632 5.182 4.556 -0.010 0.000 0.302 229 H C -0.155 175.175 175.328 0.004 0.000 1.069 229 H CA 0.735 56.851 56.048 0.115 0.000 1.446 229 H CB 0.687 30.592 29.762 0.238 0.000 1.462 229 H HN 0.955 nan 8.280 nan 0.000 0.499 230 A N 4.789 127.333 122.820 -0.460 0.000 2.540 230 A HA 0.318 4.632 4.320 -0.010 0.000 0.297 230 A C -1.424 175.874 177.584 -0.476 0.000 1.056 230 A CA -0.735 51.090 52.037 -0.355 0.000 0.700 230 A CB 0.405 19.352 19.000 -0.088 0.000 1.280 230 A HN 0.707 nan 8.150 nan 0.000 0.398 231 Y N 1.044 121.261 120.300 -0.138 0.000 2.259 231 Y HA 0.156 4.700 4.550 -0.010 0.000 0.285 231 Y C 2.202 178.072 175.900 -0.050 0.000 1.130 231 Y CA 1.464 59.503 58.100 -0.101 0.000 1.144 231 Y CB -0.428 37.953 38.460 -0.132 0.000 1.093 231 Y HN 0.759 nan 8.280 nan 0.000 0.507 232 T N -1.371 113.261 114.554 0.129 0.000 2.813 232 T HA 0.268 4.612 4.350 -0.010 0.000 0.297 232 T C 1.641 176.365 174.700 0.040 0.000 1.036 232 T CA -0.053 62.084 62.100 0.061 0.000 1.044 232 T CB 1.189 70.080 68.868 0.038 0.000 0.993 232 T HN 0.406 nan 8.240 nan 0.000 0.535 233 G N 0.033 108.845 108.800 0.020 0.000 2.422 233 G HA2 -0.194 3.760 3.960 -0.010 0.000 0.218 233 G HA3 -0.194 3.760 3.960 -0.010 0.000 0.218 233 G C 1.572 176.483 174.900 0.017 0.000 1.146 233 G CA 0.715 45.824 45.100 0.015 0.000 0.769 233 G HN 0.863 nan 8.290 nan 0.000 0.547 234 R N 0.543 121.052 120.500 0.016 0.000 2.073 234 R HA 0.037 4.371 4.340 -0.010 0.000 0.234 234 R C 2.771 179.084 176.300 0.021 0.000 1.134 234 R CA 1.582 57.692 56.100 0.016 0.000 0.952 234 R CB -0.415 29.894 30.300 0.015 0.000 0.850 234 R HN 0.251 nan 8.270 nan 0.000 0.433 235 A N 0.571 123.408 122.820 0.028 0.000 2.015 235 A HA -0.051 4.263 4.320 -0.010 0.000 0.219 235 A C 2.092 179.692 177.584 0.027 0.000 1.163 235 A CA 1.050 53.107 52.037 0.034 0.000 0.646 235 A CB -0.320 18.704 19.000 0.041 0.000 0.806 235 A HN 0.384 nan 8.150 nan 0.000 0.448 236 I N -0.592 119.992 120.570 0.024 0.000 2.333 236 I HA -0.180 3.984 4.170 -0.010 0.000 0.246 236 I C 2.952 179.073 176.117 0.007 0.000 1.106 236 I CA 0.866 62.179 61.300 0.022 0.000 1.411 236 I CB -0.280 37.747 38.000 0.045 0.000 1.082 236 I HN 0.329 nan 8.210 nan 0.000 0.420 237 A N 1.918 124.741 122.820 0.005 0.000 1.883 237 A HA -0.232 4.082 4.320 -0.010 0.000 0.217 237 A C 2.365 179.928 177.584 -0.034 0.000 1.186 237 A CA 2.014 54.043 52.037 -0.014 0.000 0.624 237 A CB -0.672 18.328 19.000 -0.000 0.000 0.822 237 A HN 0.497 nan 8.150 nan 0.000 0.444 238 R N -0.604 119.890 120.500 -0.011 0.000 2.115 238 R HA 0.204 4.537 4.340 -0.010 0.000 0.226 238 R C 2.217 178.510 176.300 -0.012 0.000 1.100 238 R CA 1.156 57.251 56.100 -0.008 0.000 0.980 238 R CB -0.641 29.668 30.300 0.014 0.000 0.875 238 R HN 0.317 nan 8.270 nan 0.000 0.445 239 A N 1.667 124.487 122.820 -0.001 0.000 1.877 239 A HA -0.075 4.239 4.320 -0.010 0.000 0.216 239 A C 2.404 179.968 177.584 -0.033 0.000 1.186 239 A CA 1.594 53.635 52.037 0.006 0.000 0.620 239 A CB -0.555 18.462 19.000 0.029 0.000 0.822 239 A HN 0.157 nan 8.150 nan 0.000 0.443 240 V N -0.101 119.766 119.914 -0.079 0.000 2.427 240 V HA -0.211 3.903 4.120 -0.010 0.000 0.248 240 V C 2.563 178.470 176.094 -0.310 0.000 1.051 240 V CA 1.989 64.184 62.300 -0.175 0.000 1.048 240 V CB -0.797 30.906 31.823 -0.200 0.000 0.666 240 V HN 0.501 nan 8.190 nan 0.000 0.456 241 R N -0.969 119.380 120.500 -0.253 0.000 2.152 241 R HA -0.149 4.185 4.340 -0.010 0.000 0.232 241 R C 2.191 178.449 176.300 -0.069 0.000 1.117 241 R CA 1.643 57.633 56.100 -0.184 0.000 0.981 241 R CB -0.552 29.703 30.300 -0.076 0.000 0.870 241 R HN 0.459 nan 8.270 nan 0.000 0.451 242 C N -1.169 118.102 119.300 -0.048 0.000 2.495 242 C HA 0.189 4.643 4.460 -0.010 0.000 0.275 242 C C 1.449 176.439 174.990 -0.001 0.000 1.392 242 C CA 0.773 59.784 59.018 -0.012 0.000 1.766 242 C CB -0.140 27.598 27.740 -0.003 0.000 1.933 242 C HN 0.798 nan 8.230 nan 0.000 0.519 243 G N 0.487 109.280 108.800 -0.012 0.000 2.157 243 G HA2 -0.059 3.895 3.960 -0.010 0.000 0.118 243 G HA3 -0.059 3.895 3.960 -0.010 0.000 0.118 243 G C -0.048 174.877 174.900 0.042 0.000 1.032 243 G CA 0.119 45.232 45.100 0.022 0.000 0.697 243 G HN 0.824 nan 8.290 nan 0.000 0.495 244 V N -1.503 118.431 119.914 0.032 0.000 2.732 244 V HA 0.777 4.891 4.120 -0.010 0.000 0.297 244 V C 1.382 177.531 176.094 0.090 0.000 1.060 244 V CA 0.324 62.667 62.300 0.073 0.000 1.038 244 V CB 1.646 33.510 31.823 0.069 0.000 1.003 244 V HN 0.379 nan 8.190 nan 0.000 0.481 245 R N 2.387 122.978 120.500 0.152 0.000 2.074 245 R HA 0.163 4.497 4.340 -0.010 0.000 0.218 245 R C 0.958 177.362 176.300 0.174 0.000 1.137 245 R CA 1.105 57.294 56.100 0.149 0.000 0.998 245 R CB 0.010 30.384 30.300 0.123 0.000 0.895 245 R HN 0.990 nan 8.270 nan 0.000 0.442 246 T N -0.859 113.797 114.554 0.171 0.000 2.829 246 T HA 0.487 4.831 4.350 -0.010 0.000 0.280 246 T C -0.198 174.559 174.700 0.095 0.000 0.999 246 T CA -0.926 61.260 62.100 0.143 0.000 0.983 246 T CB 1.585 70.502 68.868 0.082 0.000 0.968 246 T HN -0.075 nan 8.240 nan 0.000 0.446 247 I N 3.243 123.839 120.570 0.043 0.000 2.336 247 I HA 0.351 4.515 4.170 -0.010 0.000 0.292 247 I C 0.303 176.382 176.117 -0.064 0.000 0.991 247 I CA -0.729 60.570 61.300 -0.001 0.000 1.227 247 I CB 1.479 39.470 38.000 -0.014 0.000 1.366 247 I HN 0.745 nan 8.210 nan 0.000 0.466 248 E N 6.754 126.899 120.200 -0.092 0.000 2.301 248 E HA 0.285 4.629 4.350 -0.010 0.000 0.275 248 E C 0.476 176.817 176.600 -0.431 0.000 1.030 248 E CA -0.292 55.926 56.400 -0.304 0.000 0.852 248 E CB 1.024 30.565 29.700 -0.265 0.000 1.060 248 E HN 0.530 nan 8.360 nan 0.000 0.401 249 H N 2.005 120.957 119.070 -0.198 0.000 1.967 249 H HA -0.287 4.263 4.556 -0.010 0.000 0.090 249 H C 1.093 176.403 175.328 -0.031 0.000 0.617 249 H CA 1.485 57.460 56.048 -0.121 0.000 1.836 249 H CB -1.453 28.132 29.762 -0.295 0.000 2.161 249 H HN 0.863 nan 8.280 nan 0.000 0.950 250 G N 1.534 110.374 108.800 0.066 0.000 2.176 250 G HA2 -0.348 3.606 3.960 -0.010 0.000 0.252 250 G HA3 -0.348 3.606 3.960 -0.010 0.000 0.252 250 G C 0.636 175.691 174.900 0.258 0.000 1.024 250 G CA 1.106 46.307 45.100 0.168 0.000 0.755 250 G HN 0.620 nan 8.290 nan 0.000 0.507 251 N N -0.301 118.563 118.700 0.274 0.000 2.364 251 N HA 0.041 4.775 4.740 -0.010 0.000 0.183 251 N C 1.535 177.071 175.510 0.042 0.000 1.022 251 N CA 1.116 54.252 53.050 0.143 0.000 0.883 251 N CB -0.058 38.444 38.487 0.026 0.000 0.965 251 N HN 0.580 nan 8.380 nan 0.000 0.438 252 L N 0.622 121.885 121.223 0.068 0.000 3.154 252 L HA 0.312 4.646 4.340 -0.010 0.000 0.266 252 L C -0.411 176.448 176.870 -0.018 0.000 1.300 252 L CA -0.521 54.316 54.840 -0.005 0.000 1.028 252 L CB 0.139 42.191 42.059 -0.012 0.000 1.412 252 L HN -0.106 nan 8.230 nan 0.000 0.564 253 V N -2.062 117.820 119.914 -0.053 0.000 2.999 253 V HA 0.109 4.223 4.120 -0.010 0.000 0.307 253 V C 0.156 176.185 176.094 -0.108 0.000 1.084 253 V CA -0.697 61.547 62.300 -0.093 0.000 1.155 253 V CB 0.226 31.901 31.823 -0.247 0.000 0.975 253 V HN 0.413 nan 8.190 nan 0.000 0.490 254 D N 1.817 122.171 120.400 -0.076 0.000 2.440 254 D HA 0.307 4.941 4.640 -0.010 0.000 0.258 254 D C 0.941 177.192 176.300 -0.082 0.000 1.092 254 D CA -0.469 53.486 54.000 -0.074 0.000 1.016 254 D CB 0.677 41.451 40.800 -0.043 0.000 1.141 254 D HN 0.643 nan 8.370 nan 0.000 0.552 255 E N 0.193 120.351 120.200 -0.071 0.000 2.274 255 E HA -0.166 4.178 4.350 -0.010 0.000 0.194 255 E C 1.759 178.345 176.600 -0.023 0.000 0.996 255 E CA 0.810 57.175 56.400 -0.060 0.000 0.840 255 E CB -0.496 29.172 29.700 -0.054 0.000 0.772 255 E HN 0.483 nan 8.360 nan 0.000 0.491 256 A N 2.218 125.029 122.820 -0.014 0.000 1.892 256 A HA -0.096 4.218 4.320 -0.010 0.000 0.218 256 A C 2.540 180.137 177.584 0.022 0.000 1.188 256 A CA 2.584 54.624 52.037 0.006 0.000 0.631 256 A CB -0.810 18.192 19.000 0.003 0.000 0.822 256 A HN 0.418 nan 8.150 nan 0.000 0.447 257 A N -0.625 122.203 122.820 0.015 0.000 1.929 257 A HA 0.294 4.608 4.320 -0.010 0.000 0.216 257 A C 2.477 180.100 177.584 0.066 0.000 1.176 257 A CA 1.744 53.801 52.037 0.034 0.000 0.628 257 A CB -0.906 18.109 19.000 0.026 0.000 0.816 257 A HN 1.047 nan 8.150 nan 0.000 0.444 258 A N 0.028 122.881 122.820 0.055 0.000 1.902 258 A HA -0.173 4.141 4.320 -0.010 0.000 0.217 258 A C 2.131 179.788 177.584 0.122 0.000 1.181 258 A CA 1.961 54.061 52.037 0.106 0.000 0.623 258 A CB -0.457 18.552 19.000 0.015 0.000 0.818 258 A HN 0.528 nan 8.150 nan 0.000 0.443 259 K N -0.816 119.635 120.400 0.085 0.000 2.026 259 K HA -0.155 4.159 4.320 -0.010 0.000 0.208 259 K C 1.929 178.615 176.600 0.143 0.000 1.048 259 K CA 1.579 57.933 56.287 0.111 0.000 0.929 259 K CB -0.301 32.240 32.500 0.069 0.000 0.713 259 K HN 0.335 nan 8.250 nan 0.000 0.439 260 L N 1.293 122.588 121.223 0.120 0.000 2.017 260 L HA -0.166 4.168 4.340 -0.010 0.000 0.208 260 L C 2.345 179.330 176.870 0.192 0.000 1.073 260 L CA 1.642 56.576 54.840 0.157 0.000 0.745 260 L CB -0.322 41.798 42.059 0.102 0.000 0.894 260 L HN 0.293 nan 8.230 nan 0.000 0.432 261 M N -1.587 118.090 119.600 0.130 0.000 2.073 261 M HA -0.310 4.164 4.480 -0.010 0.000 0.258 261 M C 2.384 178.744 176.300 0.101 0.000 1.070 261 M CA 2.196 57.558 55.300 0.104 0.000 1.103 261 M CB -0.510 32.158 32.600 0.113 0.000 1.321 261 M HN 0.496 nan 8.290 nan 0.000 0.405 262 H N -0.031 119.058 119.070 0.032 0.000 2.352 262 H HA -0.163 4.387 4.556 -0.010 0.000 0.299 262 H C 1.761 177.080 175.328 -0.015 0.000 1.097 262 H CA 2.354 58.396 56.048 -0.010 0.000 1.311 262 H CB -0.113 29.651 29.762 0.003 0.000 1.377 262 H HN 0.429 nan 8.280 nan 0.000 0.504 263 E N -1.144 118.984 120.200 -0.121 0.000 2.110 263 E HA -0.191 4.153 4.350 -0.010 0.000 0.193 263 E C 1.689 178.150 176.600 -0.232 0.000 0.988 263 E CA 1.337 57.610 56.400 -0.211 0.000 0.804 263 E CB -0.022 29.633 29.700 -0.075 0.000 0.745 263 E HN 0.690 nan 8.360 nan 0.000 0.458 264 H N -1.544 117.450 119.070 -0.127 0.000 2.535 264 H HA 0.151 4.700 4.556 -0.010 0.000 0.273 264 H C 0.928 176.172 175.328 -0.140 0.000 0.983 264 H CA 0.859 56.846 56.048 -0.102 0.000 1.238 264 H CB 0.764 30.493 29.762 -0.055 0.000 1.412 264 H HN 0.284 nan 8.280 nan 0.000 0.562 265 G N -0.105 108.630 108.800 -0.109 0.000 2.204 265 G HA2 -0.154 3.800 3.960 -0.010 0.000 0.244 265 G HA3 -0.154 3.800 3.960 -0.010 0.000 0.244 265 G C 0.069 174.790 174.900 -0.299 0.000 1.062 265 G CA 0.109 45.072 45.100 -0.227 0.000 0.798 265 G HN 0.657 nan 8.290 nan 0.000 0.496 266 A N -0.496 122.197 122.820 -0.213 0.000 2.303 266 A HA 0.890 5.204 4.320 -0.010 0.000 0.317 266 A C -0.000 177.406 177.584 -0.297 0.000 1.149 266 A CA -0.515 51.419 52.037 -0.170 0.000 0.822 266 A CB 0.755 19.736 19.000 -0.032 0.000 1.131 266 A HN 0.602 nan 8.150 nan 0.000 0.493 267 F N 0.644 120.553 119.950 -0.068 0.000 2.408 267 F HA 0.549 5.070 4.527 -0.010 0.000 0.325 267 F C 0.354 176.067 175.800 -0.146 0.000 1.082 267 F CA -0.472 57.467 58.000 -0.102 0.000 1.032 267 F CB 1.697 40.629 39.000 -0.114 0.000 1.259 267 F HN 0.334 nan 8.300 nan 0.000 0.503 268 V N 1.102 120.997 119.914 -0.031 0.000 2.715 268 V HA 0.575 4.689 4.120 -0.010 0.000 0.310 268 V C -0.700 175.309 176.094 -0.143 0.000 1.054 268 V CA -0.926 61.248 62.300 -0.209 0.000 0.928 268 V CB 1.727 33.159 31.823 -0.652 0.000 1.007 268 V HN 0.479 nan 8.190 nan 0.000 0.437 269 V N 4.811 124.637 119.914 -0.148 0.000 2.327 269 V HA 0.348 4.462 4.120 -0.010 0.000 0.272 269 V C -2.479 173.497 176.094 -0.197 0.000 1.019 269 V CA -1.527 60.689 62.300 -0.140 0.000 0.814 269 V CB 1.332 33.101 31.823 -0.090 0.000 1.040 269 V HN 0.762 nan 8.190 nan 0.000 0.440 270 P HA 0.276 nan 4.420 nan 0.000 0.272 270 P C 0.291 177.512 177.300 -0.131 0.000 1.223 270 P CA 0.040 63.090 63.100 -0.085 0.000 0.784 270 P CB 0.543 32.233 31.700 -0.017 0.000 0.923 271 T N -1.935 112.614 114.554 -0.009 0.000 3.624 271 T HA 0.285 4.629 4.350 -0.010 0.000 0.244 271 T C 1.001 175.709 174.700 0.013 0.000 1.063 271 T CA -0.423 61.628 62.100 -0.082 0.000 1.252 271 T CB -1.125 67.666 68.868 -0.128 0.000 1.021 271 T HN 0.069 nan 8.240 nan 0.000 0.590 272 L N 0.059 121.326 121.223 0.073 0.000 2.079 272 L HA -0.053 4.281 4.340 -0.010 0.000 0.210 272 L C 2.691 179.615 176.870 0.090 0.000 1.081 272 L CA 0.876 55.834 54.840 0.196 0.000 0.752 272 L CB -0.690 41.428 42.059 0.098 0.000 0.896 272 L HN 0.401 nan 8.230 nan 0.000 0.433 273 V N -0.647 119.240 119.914 -0.046 0.000 2.720 273 V HA -0.274 3.840 4.120 -0.010 0.000 0.256 273 V C 2.492 178.538 176.094 -0.081 0.000 1.082 273 V CA 2.335 64.605 62.300 -0.050 0.000 1.101 273 V CB -0.140 31.655 31.823 -0.046 0.000 0.693 273 V HN 0.508 nan 8.190 nan 0.000 0.479 274 T N -1.246 113.186 114.554 -0.204 0.000 2.995 274 T HA -0.094 4.250 4.350 -0.010 0.000 0.269 274 T C 1.425 175.945 174.700 -0.301 0.000 1.091 274 T CA 1.468 63.403 62.100 -0.275 0.000 1.128 274 T CB -0.203 68.443 68.868 -0.369 0.000 0.891 274 T HN 0.707 nan 8.240 nan 0.000 0.492 275 Y N 0.960 121.266 120.300 0.010 0.000 2.365 275 Y HA 0.155 4.700 4.550 -0.008 0.000 0.293 275 Y C 2.300 178.175 175.900 -0.042 0.000 1.119 275 Y CA 0.220 58.313 58.100 -0.011 0.000 1.203 275 Y CB -0.301 38.147 38.460 -0.021 0.000 1.026 275 Y HN 0.182 nan 8.280 nan 0.000 0.549 276 D N 0.059 120.496 120.400 0.061 0.000 2.144 276 D HA -0.116 4.518 4.640 -0.010 0.000 0.200 276 D C 2.241 178.471 176.300 -0.115 0.000 0.978 276 D CA 1.388 55.366 54.000 -0.036 0.000 0.833 276 D CB -0.371 40.393 40.800 -0.060 0.000 0.961 276 D HN 0.305 nan 8.370 nan 0.000 0.470 277 A N 0.312 123.074 122.820 -0.097 0.000 1.897 277 A HA -0.039 4.275 4.320 -0.010 0.000 0.215 277 A C 2.260 179.865 177.584 0.035 0.000 1.181 277 A CA 0.683 52.690 52.037 -0.051 0.000 0.620 277 A CB -0.640 18.414 19.000 0.091 0.000 0.821 277 A HN 0.196 nan 8.150 nan 0.000 0.443 278 L N -0.857 120.387 121.223 0.036 0.000 2.217 278 L HA -0.105 4.229 4.340 -0.010 0.000 0.211 278 L C 2.989 179.862 176.870 0.005 0.000 1.107 278 L CA 0.623 55.497 54.840 0.057 0.000 0.783 278 L CB -0.437 41.665 42.059 0.071 0.000 0.919 278 L HN 0.459 nan 8.230 nan 0.000 0.442 279 A N 0.402 123.203 122.820 -0.032 0.000 1.845 279 A HA -0.249 4.065 4.320 -0.010 0.000 0.215 279 A C 2.296 179.782 177.584 -0.164 0.000 1.195 279 A CA 1.881 53.872 52.037 -0.076 0.000 0.616 279 A CB -0.385 18.572 19.000 -0.072 0.000 0.832 279 A HN 0.169 nan 8.150 nan 0.000 0.443 280 K N -0.733 119.484 120.400 -0.306 0.000 1.985 280 K HA -0.105 4.209 4.320 -0.010 0.000 0.210 280 K C 0.797 177.058 176.600 -0.564 0.000 1.047 280 K CA 1.702 57.647 56.287 -0.570 0.000 0.932 280 K CB -0.137 31.743 32.500 -1.033 0.000 0.716 280 K HN 0.705 nan 8.250 nan 0.000 0.439 281 H N -1.426 117.589 119.070 -0.091 0.000 2.502 281 H HA 0.274 4.824 4.556 -0.009 0.000 0.268 281 H C 1.010 176.278 175.328 -0.101 0.000 1.177 281 H CA 0.176 56.096 56.048 -0.213 0.000 0.961 281 H CB 0.383 29.936 29.762 -0.349 0.000 1.737 281 H HN 0.308 nan 8.280 nan 0.000 0.569 282 G N 1.132 109.934 108.800 0.003 0.000 2.679 282 G HA2 -0.147 3.807 3.960 -0.010 0.000 0.214 282 G HA3 -0.147 3.807 3.960 -0.010 0.000 0.214 282 G C 1.692 176.623 174.900 0.053 0.000 1.315 282 G CA 0.918 46.048 45.100 0.051 0.000 0.836 282 G HN 0.434 nan 8.290 nan 0.000 0.580 283 A N 0.109 122.939 122.820 0.016 0.000 2.125 283 A HA 0.017 4.331 4.320 -0.010 0.000 0.219 283 A C 2.110 179.701 177.584 0.011 0.000 1.156 283 A CA 1.978 54.027 52.037 0.019 0.000 0.671 283 A CB -0.402 18.600 19.000 0.004 0.000 0.794 283 A HN 0.573 nan 8.150 nan 0.000 0.459 284 E N -1.127 119.050 120.200 -0.039 0.000 2.072 284 E HA -0.154 4.190 4.350 -0.010 0.000 0.191 284 E C 0.507 177.076 176.600 -0.051 0.000 0.985 284 E CA 0.983 57.315 56.400 -0.114 0.000 0.801 284 E CB -0.122 29.419 29.700 -0.266 0.000 0.750 284 E HN 0.555 nan 8.360 nan 0.000 0.452 285 F N -0.358 119.640 119.950 0.080 0.000 2.692 285 F HA 0.314 4.835 4.527 -0.010 0.000 0.303 285 F C 1.318 177.139 175.800 0.036 0.000 1.114 285 F CA 0.566 58.602 58.000 0.060 0.000 1.361 285 F CB 0.803 39.850 39.000 0.078 0.000 1.063 285 F HN 0.191 nan 8.300 nan 0.000 0.550 286 G N 0.621 109.532 108.800 0.186 0.000 2.131 286 G HA2 -0.295 3.659 3.960 -0.010 0.000 0.223 286 G HA3 -0.295 3.659 3.960 -0.010 0.000 0.223 286 G C 0.360 175.305 174.900 0.075 0.000 0.990 286 G CA -0.086 45.078 45.100 0.108 0.000 0.671 286 G HN 0.294 nan 8.290 nan 0.000 0.521 287 M N 2.060 121.712 119.600 0.087 0.000 2.162 287 M HA 0.406 4.880 4.480 -0.010 0.000 0.356 287 M C -1.705 174.625 176.300 0.048 0.000 1.303 287 M CA -1.831 53.504 55.300 0.059 0.000 1.116 287 M CB 0.675 33.319 32.600 0.073 0.000 1.632 287 M HN -0.026 nan 8.290 nan 0.000 0.469 288 P HA -0.026 nan 4.420 nan 0.000 0.263 288 P C -2.451 174.871 177.300 0.037 0.000 1.168 288 P CA -0.597 62.525 63.100 0.036 0.000 0.759 288 P CB -0.358 31.367 31.700 0.041 0.000 0.782 289 P HA -0.165 nan 4.420 nan 0.000 0.219 289 P C 1.246 178.559 177.300 0.021 0.000 1.146 289 P CA 1.436 64.549 63.100 0.022 0.000 0.808 289 P CB -0.074 31.635 31.700 0.016 0.000 0.779 290 E N -1.044 119.172 120.200 0.026 0.000 2.478 290 E HA 0.052 4.396 4.350 -0.010 0.000 0.194 290 E C 1.253 177.873 176.600 0.034 0.000 1.045 290 E CA 0.632 57.047 56.400 0.025 0.000 0.868 290 E CB -0.543 29.172 29.700 0.024 0.000 0.885 290 E HN 0.090 nan 8.360 nan 0.000 0.505 291 S N 0.476 116.204 115.700 0.047 0.000 2.439 291 S HA -0.001 4.463 4.470 -0.010 0.000 0.224 291 S C 1.921 176.551 174.600 0.051 0.000 1.029 291 S CA 0.735 58.972 58.200 0.062 0.000 0.946 291 S CB 0.181 63.432 63.200 0.086 0.000 0.797 291 S HN 0.250 nan 8.310 nan 0.000 0.504 292 V N 1.764 121.701 119.914 0.039 0.000 2.970 292 V HA 0.028 4.142 4.120 -0.010 0.000 0.260 292 V C 2.373 178.473 176.094 0.008 0.000 1.100 292 V CA 1.147 63.464 62.300 0.027 0.000 1.122 292 V CB -1.368 30.467 31.823 0.020 0.000 0.721 292 V HN 0.452 nan 8.190 nan 0.000 0.483 293 A N 0.336 123.160 122.820 0.005 0.000 1.930 293 A HA -0.142 4.172 4.320 -0.010 0.000 0.217 293 A C 2.319 179.890 177.584 -0.023 0.000 1.175 293 A CA 1.603 53.634 52.037 -0.009 0.000 0.627 293 A CB -0.347 18.649 19.000 -0.006 0.000 0.815 293 A HN 0.498 nan 8.150 nan 0.000 0.443 294 K N -0.746 119.644 120.400 -0.017 0.000 2.432 294 K HA 0.099 4.413 4.320 -0.010 0.000 0.196 294 K C 1.485 178.041 176.600 -0.074 0.000 1.038 294 K CA 0.582 56.840 56.287 -0.048 0.000 0.986 294 K CB 0.056 32.536 32.500 -0.033 0.000 0.782 294 K HN 0.267 nan 8.250 nan 0.000 0.485 295 V N 0.636 120.533 119.914 -0.029 0.000 3.129 295 V HA -0.067 4.047 4.120 -0.010 0.000 0.259 295 V C 1.901 177.962 176.094 -0.056 0.000 1.116 295 V CA 1.297 63.593 62.300 -0.006 0.000 1.127 295 V CB -0.019 31.847 31.823 0.073 0.000 0.742 295 V HN 0.294 nan 8.190 nan 0.000 0.474 296 A N 0.384 123.165 122.820 -0.064 0.000 1.933 296 A HA -0.193 4.120 4.320 -0.010 0.000 0.218 296 A C 2.533 180.049 177.584 -0.114 0.000 1.175 296 A CA 2.405 54.398 52.037 -0.075 0.000 0.628 296 A CB -0.674 18.289 19.000 -0.061 0.000 0.814 296 A HN 0.764 nan 8.150 nan 0.000 0.444 297 S N -0.197 115.414 115.700 -0.147 0.000 2.406 297 S HA -0.077 4.387 4.470 -0.010 0.000 0.224 297 S C 1.749 176.206 174.600 -0.239 0.000 1.030 297 S CA 1.199 59.297 58.200 -0.170 0.000 0.958 297 S CB -1.077 62.025 63.200 -0.164 0.000 0.811 297 S HN 0.718 nan 8.310 nan 0.000 0.489 298 V N 1.888 121.589 119.914 -0.356 0.000 2.667 298 V HA -0.136 3.978 4.120 -0.010 0.000 0.252 298 V C 2.654 178.459 176.094 -0.481 0.000 1.065 298 V CA 1.406 63.398 62.300 -0.515 0.000 1.083 298 V CB -1.724 29.578 31.823 -0.868 0.000 0.692 298 V HN 0.699 nan 8.190 nan 0.000 0.468 299 Q N 0.131 119.699 119.800 -0.386 0.000 2.245 299 Q HA -0.117 4.217 4.340 -0.010 0.000 0.201 299 Q C 2.076 177.991 176.000 -0.141 0.000 0.955 299 Q CA 0.984 56.643 55.803 -0.240 0.000 0.870 299 Q CB -0.474 28.207 28.738 -0.095 0.000 0.945 299 Q HN 0.576 nan 8.270 nan 0.000 0.461 300 Q N 1.856 121.573 119.800 -0.138 0.000 1.935 300 Q HA -0.184 4.150 4.340 -0.010 0.000 0.212 300 Q C 1.758 177.703 176.000 -0.091 0.000 1.008 300 Q CA 1.813 57.556 55.803 -0.100 0.000 0.868 300 Q CB -0.497 28.181 28.738 -0.100 0.000 0.946 300 Q HN 0.297 nan 8.270 nan 0.000 0.418 301 K N 0.528 120.863 120.400 -0.108 0.000 2.574 301 K HA -0.002 4.312 4.320 -0.010 0.000 0.193 301 K C 1.836 178.390 176.600 -0.075 0.000 1.035 301 K CA 0.640 56.873 56.287 -0.090 0.000 0.982 301 K CB -0.646 31.795 32.500 -0.097 0.000 0.795 301 K HN 0.416 nan 8.250 nan 0.000 0.491 302 G N 0.731 109.480 108.800 -0.085 0.000 2.514 302 G HA2 -0.316 3.638 3.960 -0.010 0.000 0.217 302 G HA3 -0.316 3.638 3.960 -0.010 0.000 0.217 302 G C 1.481 176.384 174.900 0.004 0.000 1.198 302 G CA 0.780 45.854 45.100 -0.043 0.000 0.780 302 G HN 0.272 nan 8.290 nan 0.000 0.565 303 R N -0.002 120.495 120.500 -0.004 0.000 2.115 303 R HA 0.062 4.396 4.340 -0.010 0.000 0.230 303 R C 2.487 178.786 176.300 -0.002 0.000 1.111 303 R CA 1.094 57.199 56.100 0.008 0.000 0.976 303 R CB -0.218 30.083 30.300 0.002 0.000 0.870 303 R HN 0.518 nan 8.270 nan 0.000 0.445 304 E N 0.343 120.528 120.200 -0.026 0.000 2.150 304 E HA -0.171 4.173 4.350 -0.010 0.000 0.193 304 E C 1.730 178.291 176.600 -0.064 0.000 0.985 304 E CA 1.443 57.817 56.400 -0.042 0.000 0.814 304 E CB 0.124 29.791 29.700 -0.055 0.000 0.752 304 E HN 0.350 nan 8.360 nan 0.000 0.466 305 S N 0.396 116.054 115.700 -0.069 0.000 2.382 305 S HA -0.170 4.294 4.470 -0.010 0.000 0.228 305 S C 2.008 176.552 174.600 -0.092 0.000 1.027 305 S CA 0.713 58.823 58.200 -0.149 0.000 0.991 305 S CB -0.410 62.750 63.200 -0.067 0.000 0.823 305 S HN 0.174 nan 8.310 nan 0.000 0.469 306 L N 1.992 123.265 121.223 0.082 0.000 2.081 306 L HA -0.090 4.244 4.340 -0.010 0.000 0.212 306 L C 2.731 179.661 176.870 0.100 0.000 1.080 306 L CA 1.882 56.821 54.840 0.165 0.000 0.754 306 L CB -0.983 41.138 42.059 0.103 0.000 0.893 306 L HN 0.430 nan 8.230 nan 0.000 0.433 307 E N -0.798 119.413 120.200 0.018 0.000 2.047 307 E HA -0.181 4.163 4.350 -0.010 0.000 0.191 307 E C 2.304 178.886 176.600 -0.032 0.000 0.987 307 E CA 1.146 57.545 56.400 -0.002 0.000 0.799 307 E CB -0.130 29.559 29.700 -0.018 0.000 0.752 307 E HN 0.442 nan 8.360 nan 0.000 0.449 308 I N 0.455 120.960 120.570 -0.108 0.000 2.194 308 I HA -0.322 3.842 4.170 -0.010 0.000 0.246 308 I C 2.063 178.099 176.117 -0.134 0.000 1.093 308 I CA 1.274 62.472 61.300 -0.171 0.000 1.355 308 I CB -0.430 37.387 38.000 -0.304 0.000 1.046 308 I HN 0.158 nan 8.210 nan 0.000 0.413 309 Y N 0.908 121.201 120.300 -0.011 0.000 2.181 309 Y HA -0.196 4.350 4.550 -0.007 0.000 0.288 309 Y C 2.693 178.579 175.900 -0.022 0.000 1.146 309 Y CA 1.106 59.200 58.100 -0.010 0.000 1.164 309 Y CB -1.045 37.417 38.460 0.003 0.000 0.982 309 Y HN 0.118 nan 8.280 nan 0.000 0.515 310 A N 0.225 123.126 122.820 0.136 0.000 1.930 310 A HA -0.178 4.136 4.320 -0.010 0.000 0.217 310 A C 2.095 179.684 177.584 0.008 0.000 1.175 310 A CA 1.721 53.795 52.037 0.063 0.000 0.627 310 A CB -0.640 18.391 19.000 0.052 0.000 0.815 310 A HN 0.413 nan 8.150 nan 0.000 0.443 311 N N 0.562 119.258 118.700 -0.006 0.000 2.166 311 N HA -0.087 4.647 4.740 -0.010 0.000 0.186 311 N C 1.694 177.164 175.510 -0.068 0.000 1.019 311 N CA 1.567 54.595 53.050 -0.036 0.000 0.856 311 N CB -0.483 37.981 38.487 -0.039 0.000 0.993 311 N HN 0.472 nan 8.380 nan 0.000 0.426 312 A N -0.205 122.581 122.820 -0.058 0.000 2.123 312 A HA 0.355 4.669 4.320 -0.010 0.000 0.214 312 A C 1.319 178.743 177.584 -0.267 0.000 1.152 312 A CA 0.912 52.888 52.037 -0.101 0.000 0.728 312 A CB -0.354 18.643 19.000 -0.005 0.000 0.814 312 A HN 0.324 nan 8.150 nan 0.000 0.464 313 G N -0.925 107.774 108.800 -0.169 0.000 2.248 313 G HA2 -0.124 3.830 3.960 -0.010 0.000 0.252 313 G HA3 -0.124 3.830 3.960 -0.010 0.000 0.252 313 G C -0.131 174.740 174.900 -0.049 0.000 1.085 313 G CA 0.046 45.024 45.100 -0.204 0.000 0.845 313 G HN 0.841 nan 8.290 nan 0.000 0.494 314 V N 0.210 120.152 119.914 0.046 0.000 2.383 314 V HA 0.391 4.505 4.120 -0.010 0.000 0.275 314 V C 0.909 177.005 176.094 0.003 0.000 1.036 314 V CA -0.891 61.446 62.300 0.062 0.000 0.889 314 V CB 1.406 33.298 31.823 0.115 0.000 0.985 314 V HN 0.395 nan 8.190 nan 0.000 0.459 315 K N 4.683 125.060 120.400 -0.039 0.000 2.489 315 K HA 0.268 4.582 4.320 -0.010 0.000 0.278 315 K C -0.300 176.343 176.600 0.072 0.000 1.000 315 K CA 0.827 57.139 56.287 0.042 0.000 1.012 315 K CB 0.241 32.798 32.500 0.095 0.000 0.903 315 K HN 0.593 nan 8.250 nan 0.000 0.485 316 M N 2.086 121.730 119.600 0.073 0.000 2.197 316 M HA 0.320 4.794 4.480 -0.010 0.000 0.301 316 M C 0.048 176.379 176.300 0.052 0.000 0.987 316 M CA -0.617 54.687 55.300 0.008 0.000 0.921 316 M CB 2.197 34.786 32.600 -0.017 0.000 1.569 316 M HN 0.751 nan 8.290 nan 0.000 0.431 317 G N 1.765 110.581 108.800 0.027 0.000 2.461 317 G HA2 0.576 4.530 3.960 -0.010 0.000 0.329 317 G HA3 0.576 4.530 3.960 -0.010 0.000 0.329 317 G C -1.447 173.485 174.900 0.054 0.000 1.170 317 G CA -0.486 44.640 45.100 0.044 0.000 0.935 317 G HN 0.617 nan 8.290 nan 0.000 0.492 318 F N 0.729 120.650 119.950 -0.050 0.000 2.443 318 F HA 0.545 5.066 4.527 -0.009 0.000 0.353 318 F C 0.626 176.376 175.800 -0.084 0.000 1.101 318 F CA 0.504 58.451 58.000 -0.089 0.000 1.226 318 F CB 1.100 40.038 39.000 -0.103 0.000 1.140 318 F HN 0.563 nan 8.300 nan 0.000 0.557 319 G N 3.266 111.806 108.800 -0.433 0.000 2.753 319 G HA2 0.406 4.360 3.960 -0.010 0.000 0.297 319 G HA3 0.406 4.360 3.960 -0.010 0.000 0.297 319 G C -0.799 173.882 174.900 -0.365 0.000 1.430 319 G CA -0.377 44.588 45.100 -0.225 0.000 1.040 319 G HN 0.688 nan 8.290 nan 0.000 0.530 320 S N 0.867 116.460 115.700 -0.178 0.000 2.357 320 S HA 0.151 4.615 4.470 -0.010 0.000 0.209 320 S C 0.981 175.517 174.600 -0.106 0.000 1.023 320 S CA 0.853 58.955 58.200 -0.163 0.000 0.933 320 S CB -0.140 62.997 63.200 -0.105 0.000 0.897 320 S HN 0.879 nan 8.310 nan 0.000 0.529 321 D N 0.362 120.766 120.400 0.007 0.000 2.907 321 D HA -0.121 4.513 4.640 -0.010 0.000 0.226 321 D C -0.867 175.445 176.300 0.020 0.000 1.141 321 D CA 0.205 54.294 54.000 0.148 0.000 0.779 321 D CB -1.892 38.997 40.800 0.148 0.000 1.095 321 D HN 0.299 nan 8.370 nan 0.000 0.430 322 L N 0.053 121.190 121.223 -0.144 0.000 2.395 322 L HA 0.472 4.806 4.340 -0.010 0.000 0.269 322 L C 0.780 177.443 176.870 -0.346 0.000 1.133 322 L CA -0.503 54.201 54.840 -0.226 0.000 0.812 322 L CB 0.837 42.746 42.059 -0.251 0.000 1.125 322 L HN 0.009 nan 8.230 nan 0.000 0.452 323 L N 1.702 122.859 121.223 -0.109 0.000 2.342 323 L HA 0.753 5.086 4.340 -0.010 0.000 0.271 323 L C 0.851 177.795 176.870 0.123 0.000 1.008 323 L CA -0.564 54.294 54.840 0.030 0.000 0.818 323 L CB 1.488 43.564 42.059 0.029 0.000 1.296 323 L HN 0.841 nan 8.230 nan 0.000 0.427 324 G N 1.700 110.624 108.800 0.207 0.000 2.566 324 G HA2 -0.291 3.663 3.960 -0.010 0.000 0.280 324 G HA3 -0.291 3.663 3.960 -0.010 0.000 0.280 324 G C 0.712 175.613 174.900 0.002 0.000 1.225 324 G CA 0.448 45.572 45.100 0.041 0.000 0.966 324 G HN 0.855 nan 8.290 nan 0.000 0.560 325 E N 0.426 120.465 120.200 -0.267 0.000 2.347 325 E HA -0.006 4.338 4.350 -0.010 0.000 0.196 325 E C 2.505 178.978 176.600 -0.211 0.000 1.008 325 E CA 1.279 57.475 56.400 -0.341 0.000 0.852 325 E CB -0.225 29.078 29.700 -0.661 0.000 0.783 325 E HN 0.679 nan 8.360 nan 0.000 0.505 326 M N 0.630 120.203 119.600 -0.046 0.000 2.700 326 M HA -0.039 4.435 4.480 -0.010 0.000 0.249 326 M C 1.232 177.603 176.300 0.119 0.000 1.082 326 M CA 0.699 56.126 55.300 0.210 0.000 1.077 326 M CB -0.465 32.355 32.600 0.367 0.000 1.477 326 M HN 0.119 nan 8.290 nan 0.000 0.529 327 H N -0.071 118.971 119.070 -0.046 0.000 2.491 327 H HA 0.009 4.559 4.556 -0.010 0.000 0.290 327 H C 2.093 177.376 175.328 -0.075 0.000 1.050 327 H CA 1.450 57.478 56.048 -0.034 0.000 1.309 327 H CB 0.206 29.935 29.762 -0.055 0.000 1.392 327 H HN 0.433 nan 8.280 nan 0.000 0.554 328 A N 0.081 122.831 122.820 -0.118 0.000 1.972 328 A HA -0.155 4.159 4.320 -0.010 0.000 0.219 328 A C 1.467 178.940 177.584 -0.186 0.000 1.169 328 A CA 1.050 52.943 52.037 -0.240 0.000 0.635 328 A CB -0.843 17.878 19.000 -0.465 0.000 0.810 328 A HN 0.432 nan 8.150 nan 0.000 0.446 329 F N 0.086 120.098 119.950 0.103 0.000 2.795 329 F HA 0.022 4.543 4.527 -0.009 0.000 0.303 329 F C 2.126 177.995 175.800 0.116 0.000 1.186 329 F CA 0.584 58.649 58.000 0.109 0.000 1.415 329 F CB -0.226 38.835 39.000 0.102 0.000 1.106 329 F HN 0.377 nan 8.300 nan 0.000 0.558 330 Q N 0.356 120.293 119.800 0.228 0.000 2.135 330 Q HA -0.195 4.139 4.340 -0.010 0.000 0.204 330 Q C 1.911 178.121 176.000 0.349 0.000 0.981 330 Q CA 1.969 57.892 55.803 0.200 0.000 0.856 330 Q CB -0.026 28.779 28.738 0.112 0.000 0.902 330 Q HN 0.319 nan 8.270 nan 0.000 0.425 331 S N -0.572 115.377 115.700 0.415 0.000 2.527 331 S HA 0.032 4.496 4.470 -0.010 0.000 0.222 331 S C 1.567 176.440 174.600 0.456 0.000 0.985 331 S CA 0.504 59.021 58.200 0.528 0.000 0.921 331 S CB 0.201 63.671 63.200 0.450 0.000 0.772 331 S HN 0.618 nan 8.310 nan 0.000 0.529 332 G N 1.549 110.548 108.800 0.332 0.000 2.471 332 G HA2 -0.197 3.757 3.960 -0.010 0.000 0.219 332 G HA3 -0.197 3.757 3.960 -0.010 0.000 0.219 332 G C 1.194 176.207 174.900 0.188 0.000 1.125 332 G CA 0.782 46.034 45.100 0.252 0.000 0.775 332 G HN 0.525 nan 8.290 nan 0.000 0.548 333 E N 0.080 120.358 120.200 0.130 0.000 2.153 333 E HA -0.099 4.245 4.350 -0.010 0.000 0.194 333 E C 1.860 178.474 176.600 0.023 0.000 0.988 333 E CA 0.625 56.979 56.400 -0.077 0.000 0.811 333 E CB -0.364 29.040 29.700 -0.493 0.000 0.746 333 E HN 0.385 nan 8.360 nan 0.000 0.466 334 F N 0.766 120.892 119.950 0.293 0.000 2.069 334 F HA -0.149 4.372 4.527 -0.010 0.000 0.298 334 F C 2.564 178.431 175.800 0.110 0.000 1.113 334 F CA 1.864 60.006 58.000 0.237 0.000 1.214 334 F CB -0.770 38.316 39.000 0.142 0.000 0.978 334 F HN 0.064 nan 8.300 nan 0.000 0.474 335 R N 0.849 121.528 120.500 0.299 0.000 2.080 335 R HA -0.173 4.161 4.340 -0.010 0.000 0.236 335 R C 2.186 178.558 176.300 0.120 0.000 1.137 335 R CA 2.001 58.203 56.100 0.170 0.000 0.943 335 R CB -0.780 29.603 30.300 0.137 0.000 0.846 335 R HN 0.329 nan 8.270 nan 0.000 0.431 336 I N 0.315 120.943 120.570 0.096 0.000 2.194 336 I HA -0.306 3.858 4.170 -0.010 0.000 0.246 336 I C 2.508 178.657 176.117 0.053 0.000 1.093 336 I CA 1.636 62.968 61.300 0.053 0.000 1.355 336 I CB -0.301 37.713 38.000 0.023 0.000 1.046 336 I HN 0.264 nan 8.210 nan 0.000 0.413 337 R N 0.433 120.973 120.500 0.066 0.000 2.127 337 R HA 0.042 4.376 4.340 -0.010 0.000 0.217 337 R C 2.460 178.814 176.300 0.091 0.000 1.074 337 R CA 1.063 57.204 56.100 0.069 0.000 0.991 337 R CB -0.273 30.069 30.300 0.070 0.000 0.895 337 R HN 0.321 nan 8.270 nan 0.000 0.450 338 A N 1.382 124.271 122.820 0.115 0.000 1.969 338 A HA -0.171 4.143 4.320 -0.010 0.000 0.218 338 A C 1.762 179.385 177.584 0.065 0.000 1.169 338 A CA 1.236 53.330 52.037 0.095 0.000 0.635 338 A CB -0.235 18.826 19.000 0.100 0.000 0.810 338 A HN 0.289 nan 8.150 nan 0.000 0.445 339 E N -0.552 119.684 120.200 0.060 0.000 2.204 339 E HA -0.093 4.251 4.350 -0.010 0.000 0.195 339 E C 1.757 178.378 176.600 0.036 0.000 0.990 339 E CA 1.249 57.674 56.400 0.043 0.000 0.821 339 E CB -0.070 29.653 29.700 0.038 0.000 0.750 339 E HN 0.485 nan 8.360 nan 0.000 0.477 340 V N 0.536 120.474 119.914 0.040 0.000 2.581 340 V HA 0.038 4.152 4.120 -0.010 0.000 0.240 340 V C 0.922 177.038 176.094 0.037 0.000 1.054 340 V CA 0.675 62.996 62.300 0.034 0.000 1.076 340 V CB -0.015 31.829 31.823 0.035 0.000 0.748 340 V HN 0.055 nan 8.190 nan 0.000 0.474 341 L N -0.519 120.732 121.223 0.048 0.000 2.313 341 L HA 0.782 5.116 4.340 -0.010 0.000 0.268 341 L C 0.772 177.672 176.870 0.050 0.000 1.010 341 L CA -0.613 54.256 54.840 0.048 0.000 0.814 341 L CB 0.564 42.658 42.059 0.057 0.000 1.304 341 L HN 0.157 nan 8.230 nan 0.000 0.441 342 G N 0.092 108.918 108.800 0.044 0.000 2.630 342 G HA2 -0.014 3.940 3.960 -0.010 0.000 0.236 342 G HA3 -0.014 3.940 3.960 -0.010 0.000 0.236 342 G C 0.631 175.563 174.900 0.053 0.000 1.248 342 G CA -0.290 44.835 45.100 0.041 0.000 0.844 342 G HN 0.892 nan 8.290 nan 0.000 0.588 343 N N 0.944 119.672 118.700 0.046 0.000 2.571 343 N HA -0.087 4.647 4.740 -0.010 0.000 0.189 343 N C 1.783 177.318 175.510 0.042 0.000 1.154 343 N CA 0.165 53.246 53.050 0.051 0.000 0.907 343 N CB -0.055 38.450 38.487 0.030 0.000 0.977 343 N HN 0.426 nan 8.380 nan 0.000 0.449 344 L N 0.081 121.327 121.223 0.037 0.000 2.017 344 L HA -0.124 4.210 4.340 -0.010 0.000 0.208 344 L C 2.171 179.078 176.870 0.062 0.000 1.073 344 L CA 1.755 56.617 54.840 0.038 0.000 0.745 344 L CB -0.184 41.893 42.059 0.030 0.000 0.894 344 L HN 0.089 nan 8.230 nan 0.000 0.432 345 E N 0.163 120.405 120.200 0.070 0.000 2.051 345 E HA -0.199 4.145 4.350 -0.010 0.000 0.192 345 E C 2.073 178.751 176.600 0.130 0.000 0.991 345 E CA 1.601 58.054 56.400 0.088 0.000 0.799 345 E CB -0.264 29.482 29.700 0.077 0.000 0.748 345 E HN 0.515 nan 8.360 nan 0.000 0.449 346 A N 0.309 123.222 122.820 0.155 0.000 1.917 346 A HA -0.205 4.109 4.320 -0.010 0.000 0.219 346 A C 2.304 180.098 177.584 0.350 0.000 1.182 346 A CA 1.727 53.923 52.037 0.264 0.000 0.633 346 A CB -0.808 18.372 19.000 0.300 0.000 0.819 346 A HN 0.318 nan 8.150 nan 0.000 0.448 347 L N -1.606 119.742 121.223 0.207 0.000 2.156 347 L HA -0.090 4.244 4.340 -0.010 0.000 0.208 347 L C 2.806 179.773 176.870 0.161 0.000 1.095 347 L CA 0.875 55.807 54.840 0.152 0.000 0.770 347 L CB -0.447 41.619 42.059 0.011 0.000 0.914 347 L HN 0.325 nan 8.230 nan 0.000 0.439 348 R N 0.057 120.637 120.500 0.133 0.000 2.115 348 R HA -0.135 4.199 4.340 -0.010 0.000 0.230 348 R C 2.637 179.018 176.300 0.134 0.000 1.111 348 R CA 1.617 57.785 56.100 0.114 0.000 0.976 348 R CB -0.331 30.024 30.300 0.091 0.000 0.870 348 R HN 0.479 nan 8.270 nan 0.000 0.445 349 S N 0.235 116.037 115.700 0.170 0.000 2.399 349 S HA -0.091 4.373 4.470 -0.010 0.000 0.231 349 S C 1.859 176.580 174.600 0.200 0.000 1.022 349 S CA 1.178 59.486 58.200 0.179 0.000 0.983 349 S CB 0.066 63.388 63.200 0.203 0.000 0.803 349 S HN 0.327 nan 8.310 nan 0.000 0.480 350 A N 0.706 123.652 122.820 0.210 0.000 2.308 350 A HA 0.416 4.730 4.320 -0.010 0.000 0.217 350 A C 1.777 179.452 177.584 0.152 0.000 1.216 350 A CA 0.697 52.815 52.037 0.135 0.000 0.864 350 A CB -0.286 18.660 19.000 -0.090 0.000 0.902 350 A HN 0.747 nan 8.150 nan 0.000 0.499 351 T N -4.510 110.127 114.554 0.137 0.000 3.426 351 T HA 0.016 4.360 4.350 -0.010 0.000 0.195 351 T C 1.931 176.674 174.700 0.071 0.000 0.963 351 T CA 1.269 63.438 62.100 0.114 0.000 1.154 351 T CB -0.853 68.088 68.868 0.121 0.000 1.377 351 T HN 0.280 nan 8.240 nan 0.000 0.342 352 T N 1.096 115.690 114.554 0.068 0.000 2.770 352 T HA 0.005 4.349 4.350 -0.010 0.000 0.263 352 T C 2.083 176.807 174.700 0.041 0.000 1.039 352 T CA 1.382 63.511 62.100 0.050 0.000 1.142 352 T CB -1.135 67.764 68.868 0.053 0.000 0.868 352 T HN 0.198 nan 8.240 nan 0.000 0.435 353 V N 2.342 122.292 119.914 0.060 0.000 2.358 353 V HA -0.002 4.112 4.120 -0.010 0.000 0.246 353 V C 3.286 179.358 176.094 -0.037 0.000 1.047 353 V CA 1.423 63.760 62.300 0.062 0.000 1.035 353 V CB -1.512 30.375 31.823 0.107 0.000 0.658 353 V HN 0.682 nan 8.190 nan 0.000 0.452 354 A N 0.452 123.263 122.820 -0.014 0.000 1.865 354 A HA -0.157 4.157 4.320 -0.010 0.000 0.217 354 A C 2.470 179.975 177.584 -0.131 0.000 1.191 354 A CA 2.266 54.265 52.037 -0.063 0.000 0.623 354 A CB -1.001 18.014 19.000 0.024 0.000 0.826 354 A HN 0.578 nan 8.150 nan 0.000 0.444 355 A N -0.633 122.145 122.820 -0.070 0.000 1.940 355 A HA -0.232 4.082 4.320 -0.010 0.000 0.219 355 A C 2.016 179.518 177.584 -0.136 0.000 1.176 355 A CA 1.987 53.975 52.037 -0.082 0.000 0.631 355 A CB -0.562 18.426 19.000 -0.019 0.000 0.814 355 A HN 0.699 nan 8.150 nan 0.000 0.446 356 E N -0.365 119.751 120.200 -0.140 0.000 2.072 356 E HA -0.149 4.195 4.350 -0.010 0.000 0.191 356 E C 1.872 178.222 176.600 -0.418 0.000 0.985 356 E CA 1.084 57.378 56.400 -0.177 0.000 0.801 356 E CB -0.210 29.455 29.700 -0.059 0.000 0.750 356 E HN 0.675 nan 8.360 nan 0.000 0.452 357 I N 0.812 121.003 120.570 -0.632 0.000 2.194 357 I HA -0.243 3.921 4.170 -0.010 0.000 0.246 357 I C 2.148 177.915 176.117 -0.583 0.000 1.093 357 I CA 1.199 61.981 61.300 -0.864 0.000 1.355 357 I CB -0.127 37.458 38.000 -0.691 0.000 1.046 357 I HN 0.164 nan 8.210 nan 0.000 0.413 358 V N -1.772 117.890 119.914 -0.421 0.000 3.499 358 V HA 0.205 4.319 4.120 -0.010 0.000 0.308 358 V C 0.531 176.474 176.094 -0.252 0.000 1.319 358 V CA -0.183 61.870 62.300 -0.412 0.000 1.194 358 V CB -1.129 30.188 31.823 -0.843 0.000 1.072 358 V HN 0.563 nan 8.190 nan 0.000 0.426 359 N N 1.142 119.724 118.700 -0.196 0.000 2.727 359 N HA -0.174 4.560 4.740 -0.010 0.000 0.249 359 N C 0.342 175.839 175.510 -0.022 0.000 1.048 359 N CA 1.323 54.326 53.050 -0.077 0.000 0.714 359 N CB -0.747 37.742 38.487 0.004 0.000 0.959 359 N HN 0.544 nan 8.380 nan 0.000 0.544 360 M N -0.087 119.488 119.600 -0.043 0.000 2.692 360 M HA 0.036 4.510 4.480 -0.010 0.000 0.372 360 M C 0.363 176.668 176.300 0.008 0.000 1.192 360 M CA -0.042 55.267 55.300 0.015 0.000 0.928 360 M CB 0.378 33.009 32.600 0.052 0.000 1.366 360 M HN 0.074 nan 8.290 nan 0.000 0.517 361 Q N 0.739 120.535 119.800 -0.006 0.000 2.262 361 Q HA 0.234 4.568 4.340 -0.010 0.000 0.298 361 Q C 0.937 176.948 176.000 0.018 0.000 1.083 361 Q CA 1.394 57.200 55.803 0.005 0.000 0.962 361 Q CB 0.019 28.763 28.738 0.009 0.000 1.104 361 Q HN 0.658 nan 8.270 nan 0.000 0.376 362 G N 2.685 111.498 108.800 0.020 0.000 2.268 362 G HA2 -0.354 3.600 3.960 -0.010 0.000 0.240 362 G HA3 -0.354 3.600 3.960 -0.010 0.000 0.240 362 G C 0.861 175.776 174.900 0.026 0.000 1.010 362 G CA 0.461 45.575 45.100 0.023 0.000 0.618 362 G HN 0.520 nan 8.290 nan 0.000 0.516 363 Q N -0.109 119.710 119.800 0.032 0.000 2.134 363 Q HA 0.524 4.858 4.340 -0.010 0.000 0.195 363 Q C 1.460 177.485 176.000 0.042 0.000 0.958 363 Q CA 1.147 56.974 55.803 0.040 0.000 0.840 363 Q CB 0.070 28.842 28.738 0.056 0.000 0.918 363 Q HN 0.677 nan 8.270 nan 0.000 0.467 364 L N -2.959 118.291 121.223 0.044 0.000 2.256 364 L HA 0.617 4.951 4.340 -0.010 0.000 0.261 364 L C 0.712 177.601 176.870 0.033 0.000 1.022 364 L CA -0.589 54.278 54.840 0.044 0.000 0.828 364 L CB 1.644 43.745 42.059 0.070 0.000 1.374 364 L HN 0.297 nan 8.230 nan 0.000 0.436 365 G N 0.251 109.072 108.800 0.035 0.000 2.153 365 G HA2 -0.195 3.759 3.960 -0.010 0.000 0.252 365 G HA3 -0.195 3.759 3.960 -0.010 0.000 0.252 365 G C -0.487 174.433 174.900 0.033 0.000 0.994 365 G CA 0.376 45.501 45.100 0.041 0.000 0.698 365 G HN 0.498 nan 8.290 nan 0.000 0.521 366 V N 0.459 120.386 119.914 0.022 0.000 2.852 366 V HA 0.504 4.617 4.120 -0.010 0.000 0.300 366 V C -0.347 175.752 176.094 0.009 0.000 1.205 366 V CA -1.034 61.276 62.300 0.017 0.000 0.940 366 V CB 1.625 33.460 31.823 0.019 0.000 1.047 366 V HN 0.341 nan 8.190 nan 0.000 0.429 367 I N 6.497 127.069 120.570 0.003 0.000 2.278 367 I HA 0.681 4.845 4.170 -0.010 0.000 0.296 367 I C 0.428 176.550 176.117 0.008 0.000 1.121 367 I CA 0.314 61.615 61.300 0.001 0.000 1.267 367 I CB 0.591 38.586 38.000 -0.008 0.000 1.447 367 I HN 0.748 nan 8.210 nan 0.000 0.509 368 A N 5.268 128.095 122.820 0.012 0.000 2.602 368 A HA 0.692 5.006 4.320 -0.010 0.000 0.290 368 A C -0.783 176.812 177.584 0.017 0.000 1.114 368 A CA -0.559 51.488 52.037 0.017 0.000 0.683 368 A CB 1.360 20.370 19.000 0.017 0.000 1.281 368 A HN 0.193 nan 8.150 nan 0.000 0.416 369 V N 1.138 121.064 119.914 0.020 0.000 2.585 369 V HA 0.462 4.576 4.120 -0.010 0.000 0.296 369 V C 1.525 177.628 176.094 0.015 0.000 1.035 369 V CA 1.844 64.155 62.300 0.017 0.000 1.084 369 V CB 0.267 32.100 31.823 0.018 0.000 0.953 369 V HN 2.304 nan 8.190 nan 0.000 0.483 370 G N 3.555 112.363 108.800 0.013 0.000 2.232 370 G HA2 -0.109 3.845 3.960 -0.010 0.000 0.226 370 G HA3 -0.109 3.845 3.960 -0.010 0.000 0.226 370 G C 0.457 175.366 174.900 0.015 0.000 0.996 370 G CA 0.183 45.291 45.100 0.013 0.000 0.626 370 G HN 1.417 nan 8.290 nan 0.000 0.509 371 A N 0.262 123.091 122.820 0.014 0.000 2.332 371 A HA 0.720 5.034 4.320 -0.010 0.000 0.258 371 A C 0.685 178.276 177.584 0.013 0.000 1.087 371 A CA -0.028 52.018 52.037 0.016 0.000 0.802 371 A CB 0.248 19.257 19.000 0.015 0.000 1.042 371 A HN 0.820 nan 8.150 nan 0.000 0.489 372 I N 0.633 121.212 120.570 0.016 0.000 2.634 372 I HA 0.214 4.378 4.170 -0.010 0.000 0.284 372 I C 1.109 177.227 176.117 0.002 0.000 1.124 372 I CA 0.162 61.469 61.300 0.011 0.000 1.417 372 I CB 1.177 39.189 38.000 0.020 0.000 1.396 372 I HN 0.655 nan 8.210 nan 0.000 0.571 373 A N 4.668 127.484 122.820 -0.006 0.000 3.063 373 A HA 0.188 4.502 4.320 -0.010 0.000 0.263 373 A C -0.474 177.094 177.584 -0.026 0.000 1.736 373 A CA -0.289 51.737 52.037 -0.017 0.000 1.408 373 A CB -0.893 18.095 19.000 -0.019 0.000 1.108 373 A HN 0.601 nan 8.150 nan 0.000 0.621 374 D N 1.509 121.892 120.400 -0.028 0.000 2.485 374 D HA 0.442 5.076 4.640 -0.010 0.000 0.221 374 D C -0.482 175.769 176.300 -0.081 0.000 1.112 374 D CA 0.138 54.111 54.000 -0.045 0.000 0.911 374 D CB 0.789 41.575 40.800 -0.024 0.000 1.019 374 D HN 0.134 nan 8.370 nan 0.000 0.516 375 L N 1.620 122.786 121.223 -0.095 0.000 2.342 375 L HA 0.573 4.907 4.340 -0.010 0.000 0.271 375 L C -0.071 176.697 176.870 -0.169 0.000 1.008 375 L CA -1.139 53.630 54.840 -0.119 0.000 0.818 375 L CB 1.923 43.934 42.059 -0.079 0.000 1.296 375 L HN -0.018 nan 8.230 nan 0.000 0.427 376 V N 2.594 122.372 119.914 -0.226 0.000 2.495 376 V HA 0.521 4.635 4.120 -0.010 0.000 0.298 376 V C -0.260 175.760 176.094 -0.123 0.000 1.031 376 V CA -0.758 61.390 62.300 -0.253 0.000 0.871 376 V CB 2.501 33.988 31.823 -0.559 0.000 0.988 376 V HN 0.439 nan 8.190 nan 0.000 0.432 377 V N 6.254 126.148 119.914 -0.034 0.000 2.370 377 V HA 0.473 4.587 4.120 -0.010 0.000 0.279 377 V C -0.560 175.539 176.094 0.008 0.000 1.029 377 V CA -0.492 61.825 62.300 0.029 0.000 0.870 377 V CB 1.517 33.442 31.823 0.170 0.000 0.984 377 V HN 0.545 nan 8.190 nan 0.000 0.451 378 L N 4.332 125.551 121.223 -0.006 0.000 2.356 378 L HA 0.509 4.843 4.340 -0.010 0.000 0.277 378 L C -0.256 176.604 176.870 -0.017 0.000 0.996 378 L CA -0.350 54.480 54.840 -0.016 0.000 0.822 378 L CB 1.651 43.702 42.059 -0.013 0.000 1.256 378 L HN 0.638 nan 8.230 nan 0.000 0.413 379 D N 3.449 123.835 120.400 -0.023 0.000 2.416 379 D HA 0.520 5.154 4.640 -0.010 0.000 0.240 379 D C 0.379 176.666 176.300 -0.022 0.000 1.250 379 D CA 1.248 55.234 54.000 -0.023 0.000 0.967 379 D CB 0.016 40.799 40.800 -0.029 0.000 1.059 379 D HN 0.809 nan 8.370 nan 0.000 0.512 380 G N 2.727 111.513 108.800 -0.023 0.000 2.343 380 G HA2 -0.055 3.899 3.960 -0.010 0.000 0.465 380 G HA3 -0.055 3.899 3.960 -0.010 0.000 0.465 380 G C -1.116 173.767 174.900 -0.028 0.000 1.282 380 G CA -1.085 44.001 45.100 -0.023 0.000 0.996 380 G HN 0.541 nan 8.290 nan 0.000 0.521 381 N N 0.962 119.646 118.700 -0.028 0.000 2.476 381 N HA 0.637 5.371 4.740 -0.010 0.000 0.257 381 N C -0.676 174.810 175.510 -0.039 0.000 0.970 381 N CA -1.856 51.175 53.050 -0.032 0.000 0.938 381 N CB 2.443 40.915 38.487 -0.025 0.000 1.144 381 N HN 0.192 nan 8.380 nan 0.000 0.500 382 P HA -0.107 nan 4.420 nan 0.000 0.221 382 P C 1.312 178.577 177.300 -0.059 0.000 1.150 382 P CA 0.328 63.380 63.100 -0.080 0.000 0.800 382 P CB 0.456 32.083 31.700 -0.122 0.000 0.787 383 L N -0.032 121.166 121.223 -0.041 0.000 2.265 383 L HA -0.083 4.251 4.340 -0.010 0.000 0.215 383 L C 2.178 179.039 176.870 -0.015 0.000 1.117 383 L CA 1.866 56.691 54.840 -0.024 0.000 0.782 383 L CB -1.264 40.783 42.059 -0.019 0.000 0.914 383 L HN -0.030 nan 8.230 nan 0.000 0.441 384 E N -1.985 118.205 120.200 -0.016 0.000 2.306 384 E HA 0.004 4.348 4.350 -0.010 0.000 0.201 384 E C -0.040 176.556 176.600 -0.008 0.000 0.874 384 E CA 0.051 56.446 56.400 -0.008 0.000 0.972 384 E CB 0.612 30.308 29.700 -0.006 0.000 0.957 384 E HN 0.173 nan 8.360 nan 0.000 0.492 385 D N 0.242 120.633 120.400 -0.015 0.000 2.441 385 D HA 0.086 4.720 4.640 -0.010 0.000 0.231 385 D C 0.272 176.555 176.300 -0.028 0.000 1.073 385 D CA -0.276 53.716 54.000 -0.013 0.000 0.850 385 D CB 1.169 41.963 40.800 -0.010 0.000 1.062 385 D HN -0.054 nan 8.370 nan 0.000 0.524 386 I N 3.512 124.070 120.570 -0.019 0.000 2.676 386 I HA 0.109 4.273 4.170 -0.010 0.000 0.259 386 I C 2.038 178.133 176.117 -0.037 0.000 1.194 386 I CA 0.982 62.260 61.300 -0.037 0.000 1.473 386 I CB -0.345 37.660 38.000 0.009 0.000 1.096 386 I HN 0.597 nan 8.210 nan 0.000 0.443 387 G N 0.068 108.864 108.800 -0.006 0.000 2.479 387 G HA2 -0.222 3.732 3.960 -0.010 0.000 0.220 387 G HA3 -0.222 3.732 3.960 -0.010 0.000 0.220 387 G C 1.697 176.592 174.900 -0.009 0.000 1.115 387 G CA 1.110 46.216 45.100 0.010 0.000 0.757 387 G HN 0.484 nan 8.290 nan 0.000 0.560 388 V N -1.199 118.692 119.914 -0.038 0.000 3.078 388 V HA 0.014 4.128 4.120 -0.010 0.000 0.265 388 V C 2.048 178.103 176.094 -0.065 0.000 1.122 388 V CA 1.769 64.044 62.300 -0.041 0.000 1.141 388 V CB -0.058 31.739 31.823 -0.042 0.000 0.735 388 V HN 0.147 nan 8.190 nan 0.000 0.498 389 V N -0.124 119.709 119.914 -0.134 0.000 3.359 389 V HA 0.485 4.599 4.120 -0.010 0.000 0.245 389 V C 2.256 178.304 176.094 -0.077 0.000 1.247 389 V CA 0.783 62.943 62.300 -0.234 0.000 1.145 389 V CB 0.129 31.521 31.823 -0.718 0.000 0.906 389 V HN 0.512 nan 8.190 nan 0.000 0.464 390 A N -0.145 122.680 122.820 0.008 0.000 2.532 390 A HA 0.242 4.556 4.320 -0.010 0.000 0.273 390 A C 0.589 178.270 177.584 0.160 0.000 1.342 390 A CA 0.349 52.491 52.037 0.174 0.000 0.929 390 A CB -0.500 18.620 19.000 0.200 0.000 1.051 390 A HN 0.402 nan 8.150 nan 0.000 0.521 391 D N -0.029 120.445 120.400 0.123 0.000 3.008 391 D HA 0.201 4.835 4.640 -0.010 0.000 0.312 391 D C 0.811 177.184 176.300 0.122 0.000 1.361 391 D CA 0.040 54.108 54.000 0.114 0.000 0.858 391 D CB -0.047 40.797 40.800 0.073 0.000 1.098 391 D HN 0.241 nan 8.370 nan 0.000 0.482 392 E N -0.586 119.712 120.200 0.163 0.000 3.912 392 E HA -0.270 4.074 4.350 -0.010 0.000 0.335 392 E C 0.820 177.499 176.600 0.131 0.000 0.654 392 E CA 1.490 57.978 56.400 0.147 0.000 1.177 392 E CB -1.011 28.752 29.700 0.104 0.000 1.650 392 E HN 0.624 nan 8.360 nan 0.000 0.430 393 G N -1.574 107.298 108.800 0.121 0.000 1.745 393 G HA2 0.230 4.184 3.960 -0.010 0.000 0.063 393 G HA3 0.230 4.184 3.960 -0.010 0.000 0.063 393 G C 0.962 175.896 174.900 0.056 0.000 1.838 393 G CA 1.888 47.043 45.100 0.093 0.000 1.210 393 G HN 1.309 nan 8.290 nan 0.000 0.375 394 A N 0.008 122.850 122.820 0.036 0.000 1.280 394 A HA -0.397 3.917 4.320 -0.010 0.000 0.322 394 A C 1.640 179.223 177.584 -0.001 0.000 1.411 394 A CA 3.295 55.343 52.037 0.019 0.000 1.093 394 A CB -1.331 17.687 19.000 0.030 0.000 1.471 394 A HN 1.454 nan 8.150 nan 0.000 0.723 395 R N -0.911 119.589 120.500 0.002 0.000 2.552 395 R HA 0.438 4.772 4.340 -0.010 0.000 0.314 395 R C -0.186 176.098 176.300 -0.026 0.000 1.041 395 R CA 0.728 56.819 56.100 -0.015 0.000 1.076 395 R CB 0.828 31.121 30.300 -0.011 0.000 1.290 395 R HN 0.759 nan 8.270 nan 0.000 0.563 396 V N 1.541 121.438 119.914 -0.028 0.000 2.384 396 V HA 0.245 4.359 4.120 -0.010 0.000 0.287 396 V C 0.370 176.402 176.094 -0.103 0.000 1.020 396 V CA -0.314 61.958 62.300 -0.047 0.000 0.850 396 V CB 1.532 33.343 31.823 -0.019 0.000 0.987 396 V HN 0.408 nan 8.190 nan 0.000 0.436 397 E N 5.503 125.600 120.200 -0.171 0.000 2.514 397 E HA 0.111 4.455 4.350 -0.010 0.000 0.215 397 E C -0.924 175.304 176.600 -0.620 0.000 0.946 397 E CA -0.043 56.133 56.400 -0.373 0.000 1.038 397 E CB 0.536 29.966 29.700 -0.450 0.000 1.069 397 E HN 0.647 nan 8.360 nan 0.000 0.503 398 Y N 0.359 120.626 120.300 -0.054 0.000 2.425 398 Y HA 0.488 5.032 4.550 -0.010 0.000 0.344 398 Y C -0.473 175.375 175.900 -0.088 0.000 0.969 398 Y CA -1.113 56.950 58.100 -0.061 0.000 1.052 398 Y CB 2.507 40.932 38.460 -0.058 0.000 1.215 398 Y HN -0.244 nan 8.280 nan 0.000 0.451 399 V N 4.960 124.923 119.914 0.083 0.000 2.443 399 V HA 0.409 4.523 4.120 -0.010 0.000 0.293 399 V C -0.875 175.216 176.094 -0.005 0.000 1.021 399 V CA -0.676 61.616 62.300 -0.013 0.000 0.848 399 V CB 1.533 33.328 31.823 -0.047 0.000 0.998 399 V HN 0.495 nan 8.190 nan 0.000 0.424 400 L N 4.030 125.232 121.223 -0.036 0.000 2.322 400 L HA 0.644 4.978 4.340 -0.010 0.000 0.279 400 L C -0.133 176.709 176.870 -0.045 0.000 1.036 400 L CA 0.251 55.069 54.840 -0.037 0.000 0.807 400 L CB 1.684 43.714 42.059 -0.047 0.000 1.226 400 L HN 0.733 nan 8.230 nan 0.000 0.433 401 Q N 3.282 123.063 119.800 -0.033 0.000 2.275 401 Q HA 0.408 4.742 4.340 -0.010 0.000 0.266 401 Q C -0.723 175.262 176.000 -0.025 0.000 1.002 401 Q CA -0.667 55.119 55.803 -0.029 0.000 0.761 401 Q CB 1.048 29.771 28.738 -0.025 0.000 1.255 401 Q HN 0.461 nan 8.270 nan 0.000 0.446 402 R N 2.813 123.300 120.500 -0.022 0.000 3.188 402 R HA -0.322 4.011 4.340 -0.010 0.000 0.247 402 R C 0.615 176.903 176.300 -0.020 0.000 0.918 402 R CA 0.850 56.938 56.100 -0.019 0.000 0.629 402 R CB -1.784 28.503 30.300 -0.022 0.000 1.087 402 R HN 1.185 nan 8.270 nan 0.000 0.462 403 G N -1.357 107.430 108.800 -0.022 0.000 2.900 403 G HA2 -0.425 3.529 3.960 -0.010 0.000 0.223 403 G HA3 -0.425 3.529 3.960 -0.010 0.000 0.223 403 G C 0.252 175.135 174.900 -0.028 0.000 1.293 403 G CA 0.746 45.832 45.100 -0.023 0.000 0.792 403 G HN 0.816 nan 8.290 nan 0.000 0.527 404 T N 0.617 115.156 114.554 -0.025 0.000 2.882 404 T HA 0.591 4.935 4.350 -0.010 0.000 0.287 404 T C 0.235 174.922 174.700 -0.022 0.000 1.014 404 T CA 0.264 62.350 62.100 -0.024 0.000 1.049 404 T CB 1.530 70.386 68.868 -0.021 0.000 1.001 404 T HN 1.353 nan 8.240 nan 0.000 0.525 405 L N 4.575 125.788 121.223 -0.017 0.000 2.276 405 L HA 0.524 4.858 4.340 -0.010 0.000 0.286 405 L C 0.344 177.221 176.870 0.011 0.000 1.061 405 L CA -0.046 54.793 54.840 -0.002 0.000 0.807 405 L CB 1.142 43.200 42.059 -0.001 0.000 1.177 405 L HN 0.631 nan 8.230 nan 0.000 0.429 406 V N 2.573 122.496 119.914 0.016 0.000 3.612 406 V HA 0.385 4.499 4.120 -0.010 0.000 0.268 406 V C 0.302 176.406 176.094 0.016 0.000 1.365 406 V CA 0.059 62.364 62.300 0.008 0.000 1.044 406 V CB -0.416 31.405 31.823 -0.003 0.000 0.820 406 V HN 0.631 nan 8.190 nan 0.000 0.444 407 K N 1.503 121.922 120.400 0.032 0.000 2.513 407 K HA 0.545 4.859 4.320 -0.010 0.000 0.251 407 K C -1.186 175.438 176.600 0.040 0.000 0.939 407 K CA -0.374 55.925 56.287 0.021 0.000 0.793 407 K CB 3.115 35.614 32.500 -0.002 0.000 1.241 407 K HN 0.115 nan 8.250 nan 0.000 0.431 408 R N 3.214 123.715 120.500 0.002 0.000 2.435 408 R HA 0.268 4.602 4.340 -0.010 0.000 0.308 408 R C -0.776 175.441 176.300 -0.139 0.000 0.975 408 R CA -0.126 55.938 56.100 -0.061 0.000 0.867 408 R CB 1.008 31.337 30.300 0.049 0.000 1.171 408 R HN 0.674 nan 8.270 nan 0.000 0.470 409 Q N 0.000 119.646 119.800 -0.257 0.000 2.315 409 Q HA 0.000 4.334 4.340 -0.010 0.000 0.214 409 Q CA 0.000 55.696 55.803 -0.178 0.000 1.022 409 Q CB 0.000 28.659 28.738 -0.131 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481