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 2cog_1_A DATA FIRST_RESID 22 DATA SEQUENCE VGTFKAKDLI VTPATILKEK PDPNXLVFGT VFTDHMLTVE WSSEFGWEKP DATA SEQUENCE HIKPLQNLSL HPGSSALHYA VELFEGLKAF RGVDNKIRLF QPNLNMDRMY DATA SEQUENCE RSAVRATLPV FDKEELLECI QQLVKLDQEW VPYSTSASLY IRPTFIGTEP DATA SEQUENCE SLGVKKPTKA LLFVLLSPVG PYXXXXXFNP VSLWANPKYV RAWKGGTGDC DATA SEQUENCE KMGGNYGSSL FAQCEAVDNG CQQVLWLYGE DHQITEVGTM NLFLYWINED DATA SEQUENCE GEEELATPPL DGIILPGVTR RCILDLAHQW GEFKVSERYL TMDDLTTALE DATA SEQUENCE GNRVREMFGS GTACVVCPVS DILYKGETIH IPTMENGPKL ASRILSKLTD DATA SEQUENCE IQYGREERDW TIVL 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.237 176.094 0.238 0.000 1.182 22 V CA 0.000 62.431 62.300 0.218 0.000 1.235 22 V CB 0.000 31.915 31.823 0.153 0.000 1.184 23 G N 3.208 112.213 108.800 0.342 0.000 2.578 23 G HA2 0.775 4.728 3.960 -0.011 0.000 0.302 23 G HA3 0.775 4.728 3.960 -0.011 0.000 0.302 23 G C -0.741 174.416 174.900 0.428 0.000 1.243 23 G CA 0.322 45.618 45.100 0.328 0.000 0.843 23 G HN 1.430 nan 8.290 nan 0.000 0.486 24 T N -0.888 113.845 114.554 0.298 0.000 2.840 24 T HA 0.587 4.930 4.350 -0.011 0.000 0.317 24 T C -1.240 173.393 174.700 -0.111 0.000 1.401 24 T CA -0.530 61.522 62.100 -0.080 0.000 1.028 24 T CB 0.912 69.595 68.868 -0.308 0.000 1.317 24 T HN 1.101 nan 8.240 nan 0.000 0.495 25 F N 1.297 121.124 119.950 -0.205 0.000 2.375 25 F HA 0.839 5.359 4.527 -0.012 0.000 0.313 25 F C 0.127 175.879 175.800 -0.080 0.000 1.176 25 F CA -0.848 57.114 58.000 -0.064 0.000 1.142 25 F CB 0.388 39.296 39.000 -0.154 0.000 1.275 25 F HN 0.381 nan 8.300 nan 0.000 0.544 26 K N 0.338 120.853 120.400 0.191 0.000 2.443 26 K HA 0.600 4.913 4.320 -0.011 0.000 0.252 26 K C 0.317 176.991 176.600 0.124 0.000 0.933 26 K CA -0.642 55.697 56.287 0.086 0.000 0.792 26 K CB 2.140 34.663 32.500 0.039 0.000 1.185 26 K HN 0.736 nan 8.250 nan 0.000 0.425 27 A N 2.561 125.434 122.820 0.088 0.000 1.940 27 A HA -0.237 4.076 4.320 -0.011 0.000 0.219 27 A C 2.178 179.776 177.584 0.024 0.000 1.176 27 A CA 2.397 54.468 52.037 0.056 0.000 0.631 27 A CB -0.726 18.292 19.000 0.030 0.000 0.814 27 A HN 0.765 nan 8.150 nan 0.000 0.446 28 K N -0.260 120.151 120.400 0.019 0.000 2.442 28 K HA -0.102 4.211 4.320 -0.011 0.000 0.198 28 K C 1.145 177.749 176.600 0.006 0.000 1.044 28 K CA 1.601 57.893 56.287 0.008 0.000 0.948 28 K CB -0.613 31.891 32.500 0.007 0.000 0.762 28 K HN 0.642 nan 8.250 nan 0.000 0.472 29 D N -0.299 120.112 120.400 0.019 0.000 2.369 29 D HA 0.142 4.775 4.640 -0.011 0.000 0.211 29 D C -0.036 176.248 176.300 -0.027 0.000 1.077 29 D CA -0.233 53.773 54.000 0.010 0.000 0.842 29 D CB 0.063 40.891 40.800 0.046 0.000 0.947 29 D HN 0.355 nan 8.370 nan 0.000 0.509 30 L N 1.546 122.749 121.223 -0.033 0.000 2.578 30 L HA -0.016 4.317 4.340 -0.011 0.000 0.279 30 L C 0.512 177.304 176.870 -0.130 0.000 1.227 30 L CA 0.576 55.370 54.840 -0.077 0.000 0.900 30 L CB 0.465 42.491 42.059 -0.054 0.000 1.144 30 L HN -0.167 nan 8.230 nan 0.000 0.496 31 I N 4.653 125.075 120.570 -0.246 0.000 2.337 31 I HA 0.201 4.364 4.170 -0.011 0.000 0.285 31 I C -0.262 175.742 176.117 -0.188 0.000 1.041 31 I CA -0.523 60.603 61.300 -0.291 0.000 1.199 31 I CB 1.303 38.940 38.000 -0.606 0.000 1.370 31 I HN 0.225 nan 8.210 nan 0.000 0.470 32 V N 5.120 124.977 119.914 -0.095 0.000 2.509 32 V HA 0.340 4.453 4.120 -0.011 0.000 0.284 32 V C 0.393 176.482 176.094 -0.007 0.000 1.047 32 V CA -0.149 62.124 62.300 -0.046 0.000 0.952 32 V CB 1.434 33.224 31.823 -0.054 0.000 0.988 32 V HN 0.686 nan 8.190 nan 0.000 0.469 33 T N 6.028 120.606 114.554 0.040 0.000 3.133 33 T HA 0.318 4.661 4.350 -0.011 0.000 0.368 33 T C -2.639 172.136 174.700 0.124 0.000 1.190 33 T CA -0.937 61.206 62.100 0.071 0.000 1.282 33 T CB 1.135 70.056 68.868 0.088 0.000 1.042 33 T HN 0.431 nan 8.240 nan 0.000 0.536 34 P HA 0.249 nan 4.420 nan 0.000 0.264 34 P C -0.404 177.026 177.300 0.217 0.000 1.183 34 P CA -0.149 63.077 63.100 0.210 0.000 0.763 34 P CB 0.402 32.168 31.700 0.110 0.000 0.807 35 A N 2.792 125.790 122.820 0.296 0.000 2.401 35 A HA 0.289 4.603 4.320 -0.011 0.000 0.259 35 A C 1.558 179.193 177.584 0.086 0.000 1.103 35 A CA 0.268 52.350 52.037 0.075 0.000 0.789 35 A CB -0.250 18.678 19.000 -0.120 0.000 1.035 35 A HN 0.655 nan 8.150 nan 0.000 0.491 36 T N 0.865 115.450 114.554 0.051 0.000 2.851 36 T HA 0.089 4.433 4.350 -0.011 0.000 0.262 36 T C 0.661 175.389 174.700 0.046 0.000 1.043 36 T CA 0.857 62.986 62.100 0.049 0.000 1.140 36 T CB -0.476 68.413 68.868 0.034 0.000 0.872 36 T HN 0.441 nan 8.240 nan 0.000 0.446 37 I N 2.554 123.144 120.570 0.033 0.000 2.325 37 I HA 0.337 4.500 4.170 -0.011 0.000 0.291 37 I C -0.841 175.306 176.117 0.050 0.000 1.019 37 I CA -1.057 60.265 61.300 0.036 0.000 1.302 37 I CB 1.136 39.150 38.000 0.024 0.000 1.401 37 I HN 0.068 nan 8.210 nan 0.000 0.485 38 L N 7.097 128.365 121.223 0.074 0.000 2.317 38 L HA 0.440 4.773 4.340 -0.011 0.000 0.281 38 L C 0.160 177.109 176.870 0.132 0.000 1.024 38 L CA -0.759 54.153 54.840 0.122 0.000 0.810 38 L CB 1.264 43.402 42.059 0.132 0.000 1.240 38 L HN 0.477 nan 8.230 nan 0.000 0.427 39 K N 1.406 121.944 120.400 0.230 0.000 2.185 39 K HA 0.501 4.814 4.320 -0.011 0.000 0.271 39 K C 0.170 176.853 176.600 0.138 0.000 1.013 39 K CA -0.387 56.041 56.287 0.234 0.000 0.943 39 K CB 0.670 33.391 32.500 0.368 0.000 0.998 39 K HN 0.712 nan 8.250 nan 0.000 0.468 40 E N 2.633 122.862 120.200 0.049 0.000 2.384 40 E HA 0.032 4.375 4.350 -0.011 0.000 0.266 40 E C -0.454 176.035 176.600 -0.186 0.000 1.012 40 E CA -0.324 56.031 56.400 -0.075 0.000 0.901 40 E CB 0.121 29.802 29.700 -0.031 0.000 0.967 40 E HN 0.308 nan 8.360 nan 0.000 0.435 41 K N 2.716 122.865 120.400 -0.419 0.000 2.355 41 K HA 0.290 4.603 4.320 -0.011 0.000 0.270 41 K C -1.728 174.776 176.600 -0.161 0.000 1.003 41 K CA -0.950 55.009 56.287 -0.546 0.000 0.957 41 K CB 0.716 32.882 32.500 -0.557 0.000 0.939 41 K HN 0.634 nan 8.250 nan 0.000 0.482 42 P HA 0.082 nan 4.420 nan 0.000 0.279 42 P C -0.897 176.414 177.300 0.018 0.000 1.276 42 P CA -0.448 62.673 63.100 0.034 0.000 0.801 42 P CB 0.591 32.349 31.700 0.096 0.000 1.127 43 D N 0.323 120.738 120.400 0.026 0.000 2.317 43 D HA 0.097 4.730 4.640 -0.011 0.000 0.252 43 D C -1.500 174.826 176.300 0.042 0.000 1.174 43 D CA -1.764 52.251 54.000 0.026 0.000 0.866 43 D CB 0.958 41.770 40.800 0.019 0.000 1.127 43 D HN 0.026 nan 8.370 nan 0.000 0.467 44 P HA -0.137 nan 4.420 nan 0.000 0.218 44 P C 0.312 177.646 177.300 0.057 0.000 1.146 44 P CA 1.233 64.373 63.100 0.067 0.000 0.820 44 P CB 0.087 31.836 31.700 0.082 0.000 0.778 48 V N 2.358 122.293 119.914 0.035 0.000 2.417 48 V HA 0.342 4.455 4.120 -0.011 0.000 0.291 48 V C -0.088 176.040 176.094 0.057 0.000 1.024 48 V CA -0.513 61.823 62.300 0.060 0.000 0.861 48 V CB 1.669 33.518 31.823 0.043 0.000 0.985 48 V HN 0.551 nan 8.190 nan 0.000 0.436 49 F N 4.580 124.518 119.950 -0.020 0.000 2.579 49 F HA 0.277 4.797 4.527 -0.012 0.000 0.397 49 F C 1.468 177.206 175.800 -0.104 0.000 1.027 49 F CA 1.839 59.815 58.000 -0.041 0.000 1.217 49 F CB 0.342 39.382 39.000 0.066 0.000 0.986 49 F HN 0.904 nan 8.300 nan 0.000 0.551 50 G N 3.702 112.018 108.800 -0.807 0.000 2.212 50 G HA2 -0.379 3.574 3.960 -0.011 0.000 0.267 50 G HA3 -0.379 3.574 3.960 -0.011 0.000 0.267 50 G C 0.893 175.529 174.900 -0.440 0.000 1.002 50 G CA 0.808 45.525 45.100 -0.639 0.000 0.729 50 G HN 0.797 nan 8.290 nan 0.000 0.517 51 T N -0.922 113.443 114.554 -0.316 0.000 2.976 51 T HA 0.263 4.606 4.350 -0.011 0.000 0.257 51 T C 1.194 175.750 174.700 -0.240 0.000 1.051 51 T CA 1.165 63.164 62.100 -0.168 0.000 1.141 51 T CB 0.285 69.122 68.868 -0.052 0.000 0.881 51 T HN 0.255 nan 8.240 nan 0.000 0.461 52 V N 2.066 121.769 119.914 -0.352 0.000 2.472 52 V HA 0.523 4.636 4.120 -0.011 0.000 0.290 52 V C -0.842 174.929 176.094 -0.539 0.000 1.037 52 V CA -0.928 61.227 62.300 -0.241 0.000 0.908 52 V CB 1.139 32.942 31.823 -0.032 0.000 0.985 52 V HN 0.207 nan 8.190 nan 0.000 0.454 53 F N 1.522 121.400 119.950 -0.120 0.000 2.522 53 F HA 0.578 5.098 4.527 -0.011 0.000 0.324 53 F C 1.021 176.466 175.800 -0.591 0.000 1.077 53 F CA -0.590 57.257 58.000 -0.255 0.000 0.944 53 F CB 2.048 40.937 39.000 -0.184 0.000 1.175 53 F HN 0.651 nan 8.300 nan 0.000 0.468 54 T N -2.611 111.536 114.554 -0.677 0.000 2.773 54 T HA 0.062 4.406 4.350 -0.011 0.000 0.337 54 T C 0.709 174.871 174.700 -0.897 0.000 1.086 54 T CA -0.244 60.887 62.100 -1.615 0.000 0.998 54 T CB 0.475 68.576 68.868 -1.278 0.000 1.281 54 T HN 0.545 nan 8.240 nan 0.000 0.525 55 D N -0.127 119.860 120.400 -0.689 0.000 2.213 55 D HA 0.067 4.700 4.640 -0.011 0.000 0.205 55 D C 0.502 176.504 176.300 -0.496 0.000 0.961 55 D CA 1.158 54.965 54.000 -0.323 0.000 0.853 55 D CB 0.013 40.770 40.800 -0.072 0.000 0.967 55 D HN 0.610 nan 8.370 nan 0.000 0.496 56 H N -1.043 117.949 119.070 -0.130 0.000 2.771 56 H HA 0.602 5.151 4.556 -0.012 0.000 0.344 56 H C 0.172 175.452 175.328 -0.080 0.000 1.260 56 H CA -0.836 55.169 56.048 -0.073 0.000 1.276 56 H CB 1.633 31.377 29.762 -0.030 0.000 1.881 56 H HN -0.164 nan 8.280 nan 0.000 0.615 57 M N 0.264 119.919 119.600 0.093 0.000 2.603 57 M HA 0.485 4.959 4.480 -0.011 0.000 0.275 57 M C -2.051 174.280 176.300 0.052 0.000 1.226 57 M CA -1.186 54.142 55.300 0.046 0.000 0.870 57 M CB 2.431 35.033 32.600 0.003 0.000 1.716 57 M HN 0.413 nan 8.290 nan 0.000 0.482 58 L N 2.075 123.325 121.223 0.044 0.000 2.325 58 L HA 0.937 5.270 4.340 -0.011 0.000 0.278 58 L C -0.857 176.037 176.870 0.040 0.000 1.023 58 L CA 0.540 55.387 54.840 0.010 0.000 0.811 58 L CB 2.070 44.096 42.059 -0.055 0.000 1.249 58 L HN 0.961 nan 8.230 nan 0.000 0.431 59 T N 1.782 116.344 114.554 0.013 0.000 2.993 59 T HA 0.765 5.108 4.350 -0.011 0.000 0.312 59 T C -1.244 173.445 174.700 -0.019 0.000 1.115 59 T CA -0.694 61.426 62.100 0.033 0.000 1.027 59 T CB 1.346 70.221 68.868 0.012 0.000 1.116 59 T HN 0.428 nan 8.240 nan 0.000 0.464 60 V N 2.527 122.439 119.914 -0.003 0.000 2.569 60 V HA 0.481 4.594 4.120 -0.011 0.000 0.301 60 V C -0.387 175.896 176.094 0.315 0.000 1.044 60 V CA -0.889 61.431 62.300 0.034 0.000 0.874 60 V CB 1.720 33.308 31.823 -0.392 0.000 1.002 60 V HN 0.940 nan 8.190 nan 0.000 0.424 61 E N 2.190 122.574 120.200 0.306 0.000 2.349 61 E HA 0.405 4.748 4.350 -0.011 0.000 0.262 61 E C -1.144 175.706 176.600 0.416 0.000 1.088 61 E CA -0.299 56.287 56.400 0.309 0.000 0.899 61 E CB 2.528 32.330 29.700 0.169 0.000 1.044 61 E HN 0.703 nan 8.360 nan 0.000 0.420 62 W N 0.642 121.955 121.300 0.022 0.000 3.217 62 W HA 0.324 4.976 4.660 -0.014 0.000 0.323 62 W C -1.266 175.162 176.519 -0.152 0.000 1.216 62 W CA -0.351 56.852 57.345 -0.237 0.000 1.194 62 W CB 1.279 30.227 29.460 -0.853 0.000 1.397 62 W HN 0.448 nan 8.180 nan 0.000 0.537 63 S N 1.456 116.350 115.700 -1.343 0.000 2.541 63 S HA 0.353 4.816 4.470 -0.011 0.000 0.271 63 S C 0.267 173.642 174.600 -2.043 0.000 1.133 63 S CA -0.110 57.326 58.200 -1.273 0.000 0.876 63 S CB 1.381 64.217 63.200 -0.606 0.000 1.105 63 S HN 0.887 nan 8.310 nan 0.000 0.470 64 S N 0.504 115.299 115.700 -1.508 0.000 2.447 64 S HA -0.113 4.350 4.470 -0.011 0.000 0.233 64 S C 1.360 175.638 174.600 -0.537 0.000 1.006 64 S CA 1.026 58.720 58.200 -0.844 0.000 0.957 64 S CB -0.564 62.491 63.200 -0.242 0.000 0.773 64 S HN 0.847 nan 8.310 nan 0.000 0.507 65 E N 0.643 120.465 120.200 -0.631 0.000 2.051 65 E HA -0.018 4.325 4.350 -0.011 0.000 0.189 65 E C 1.087 177.381 176.600 -0.510 0.000 0.979 65 E CA 0.987 57.009 56.400 -0.630 0.000 0.803 65 E CB -0.114 29.004 29.700 -0.970 0.000 0.761 65 E HN 0.746 nan 8.360 nan 0.000 0.451 66 F N -0.228 119.554 119.950 -0.280 0.000 2.720 66 F HA 0.326 4.849 4.527 -0.007 0.000 0.301 66 F C 1.266 176.946 175.800 -0.199 0.000 1.103 66 F CA -0.189 57.700 58.000 -0.186 0.000 1.291 66 F CB 1.112 40.030 39.000 -0.137 0.000 1.086 66 F HN 0.258 nan 8.300 nan 0.000 0.592 67 G N 0.684 109.296 108.800 -0.314 0.000 2.593 67 G HA2 -0.315 3.638 3.960 -0.011 0.000 0.237 67 G HA3 -0.315 3.638 3.960 -0.011 0.000 0.237 67 G C -0.789 174.003 174.900 -0.180 0.000 1.312 67 G CA -0.776 44.137 45.100 -0.312 0.000 0.896 67 G HN 0.228 nan 8.290 nan 0.000 0.574 68 W N 1.665 123.177 121.300 0.354 0.000 2.251 68 W HA 0.524 5.180 4.660 -0.006 0.000 0.327 68 W C 1.056 177.748 176.519 0.288 0.000 1.361 68 W CA -0.301 57.321 57.345 0.462 0.000 1.234 68 W CB 0.600 30.399 29.460 0.564 0.000 1.212 68 W HN 0.489 nan 8.180 nan 0.000 0.557 69 E N 1.919 122.450 120.200 0.552 0.000 2.602 69 E HA 0.233 4.576 4.350 -0.011 0.000 0.255 69 E C -0.443 176.371 176.600 0.356 0.000 1.268 69 E CA -0.728 55.882 56.400 0.350 0.000 1.007 69 E CB 0.502 30.360 29.700 0.262 0.000 1.208 69 E HN 0.281 nan 8.360 nan 0.000 0.584 70 K N 2.254 122.813 120.400 0.266 0.000 2.322 70 K HA 0.199 4.513 4.320 -0.011 0.000 0.283 70 K C -2.089 174.646 176.600 0.225 0.000 1.042 70 K CA -1.372 55.037 56.287 0.204 0.000 0.958 70 K CB 0.275 32.839 32.500 0.107 0.000 0.984 70 K HN 0.237 nan 8.250 nan 0.000 0.473 71 P HA 0.024 nan 4.420 nan 0.000 0.271 71 P C -0.956 176.375 177.300 0.052 0.000 1.218 71 P CA 0.193 63.290 63.100 -0.005 0.000 0.780 71 P CB 0.816 32.387 31.700 -0.216 0.000 0.901 72 H N 1.239 120.264 119.070 -0.074 0.000 2.690 72 H HA 0.503 5.053 4.556 -0.011 0.000 0.368 72 H C -0.343 174.962 175.328 -0.039 0.000 1.150 72 H CA -0.858 55.168 56.048 -0.036 0.000 1.174 72 H CB 2.110 31.865 29.762 -0.013 0.000 1.684 72 H HN 0.287 nan 8.280 nan 0.000 0.538 73 I N 3.970 124.586 120.570 0.078 0.000 2.420 73 I HA 0.186 4.349 4.170 -0.011 0.000 0.282 73 I C -0.353 175.827 176.117 0.106 0.000 1.019 73 I CA -0.392 60.939 61.300 0.052 0.000 1.130 73 I CB 0.940 38.929 38.000 -0.017 0.000 1.262 73 I HN 0.492 nan 8.210 nan 0.000 0.454 74 K N 5.899 126.383 120.400 0.140 0.000 2.399 74 K HA 0.746 5.059 4.320 -0.011 0.000 0.260 74 K C -3.105 173.576 176.600 0.135 0.000 1.049 74 K CA -2.194 54.188 56.287 0.158 0.000 0.890 74 K CB 1.216 33.777 32.500 0.102 0.000 1.430 74 K HN -0.038 nan 8.250 nan 0.000 0.459 75 P HA -0.027 nan 4.420 nan 0.000 0.266 75 P C -0.598 176.633 177.300 -0.115 0.000 1.195 75 P CA -0.383 62.639 63.100 -0.129 0.000 0.768 75 P CB 0.298 31.937 31.700 -0.102 0.000 0.838 76 L N 3.850 124.973 121.223 -0.167 0.000 2.540 76 L HA 0.083 4.416 4.340 -0.011 0.000 0.276 76 L C 0.260 177.041 176.870 -0.148 0.000 1.212 76 L CA 1.286 56.032 54.840 -0.156 0.000 0.893 76 L CB -0.567 41.386 42.059 -0.178 0.000 1.138 76 L HN 0.486 nan 8.230 nan 0.000 0.491 77 Q N 2.729 122.432 119.800 -0.162 0.000 2.630 77 Q HA 0.438 4.771 4.340 -0.011 0.000 0.295 77 Q C -1.203 174.686 176.000 -0.185 0.000 0.944 77 Q CA -1.128 54.586 55.803 -0.149 0.000 0.766 77 Q CB 0.727 29.398 28.738 -0.111 0.000 1.471 77 Q HN 0.557 nan 8.270 nan 0.000 0.416 78 N N 0.409 119.014 118.700 -0.158 0.000 2.453 78 N HA 0.284 5.017 4.740 -0.011 0.000 0.253 78 N C -0.748 174.656 175.510 -0.178 0.000 1.252 78 N CA 0.060 53.008 53.050 -0.170 0.000 0.917 78 N CB 0.367 38.779 38.487 -0.124 0.000 1.117 78 N HN 0.452 nan 8.380 nan 0.000 0.442 79 L N 0.476 121.577 121.223 -0.203 0.000 2.292 79 L HA 0.240 4.573 4.340 -0.011 0.000 0.284 79 L C 0.684 177.485 176.870 -0.115 0.000 1.065 79 L CA -0.441 54.284 54.840 -0.191 0.000 0.806 79 L CB 1.230 43.138 42.059 -0.252 0.000 1.175 79 L HN 0.397 nan 8.230 nan 0.000 0.431 80 S N 5.157 120.807 115.700 -0.083 0.000 2.415 80 S HA 0.567 5.030 4.470 -0.011 0.000 0.313 80 S C -0.555 174.032 174.600 -0.023 0.000 1.067 80 S CA -0.614 57.555 58.200 -0.051 0.000 1.099 80 S CB -0.220 62.954 63.200 -0.043 0.000 0.991 80 S HN 0.408 nan 8.310 nan 0.000 0.491 81 L N 4.813 126.028 121.223 -0.013 0.000 2.346 81 L HA 0.475 4.808 4.340 -0.011 0.000 0.274 81 L C 0.458 177.363 176.870 0.057 0.000 1.007 81 L CA -1.166 53.694 54.840 0.033 0.000 0.818 81 L CB 1.428 43.506 42.059 0.031 0.000 1.284 81 L HN 0.629 nan 8.230 nan 0.000 0.424 82 H N 4.194 123.271 119.070 0.012 0.000 2.928 82 H HA 0.066 4.616 4.556 -0.011 0.000 0.338 82 H C -1.985 173.362 175.328 0.032 0.000 1.047 82 H CA -1.177 54.880 56.048 0.015 0.000 1.435 82 H CB 1.730 31.500 29.762 0.015 0.000 1.428 82 H HN 0.341 nan 8.280 nan 0.000 0.590 83 P HA -0.082 nan 4.420 nan 0.000 0.219 83 P C 1.145 178.648 177.300 0.339 0.000 1.146 83 P CA 1.718 64.857 63.100 0.065 0.000 0.808 83 P CB 0.048 31.700 31.700 -0.081 0.000 0.779 84 G N -1.291 107.863 108.800 0.589 0.000 2.985 84 G HA2 -0.045 3.908 3.960 -0.011 0.000 0.209 84 G HA3 -0.045 3.908 3.960 -0.011 0.000 0.209 84 G C 0.300 175.270 174.900 0.118 0.000 1.165 84 G CA -0.087 45.140 45.100 0.211 0.000 0.776 84 G HN 0.158 nan 8.290 nan 0.000 0.541 85 S N 1.108 116.945 115.700 0.229 0.000 2.784 85 S HA 0.017 4.480 4.470 -0.011 0.000 0.322 85 S C 1.904 176.602 174.600 0.163 0.000 1.234 85 S CA 0.491 58.779 58.200 0.146 0.000 1.064 85 S CB 0.912 64.196 63.200 0.140 0.000 0.787 85 S HN 0.604 nan 8.310 nan 0.000 0.506 86 S N 3.233 118.991 115.700 0.097 0.000 2.440 86 S HA -0.172 4.291 4.470 -0.011 0.000 0.238 86 S C 1.829 176.482 174.600 0.087 0.000 1.010 86 S CA 0.669 58.931 58.200 0.104 0.000 0.972 86 S CB -0.376 62.915 63.200 0.152 0.000 0.774 86 S HN 0.833 nan 8.310 nan 0.000 0.501 87 A N 1.605 124.474 122.820 0.081 0.000 2.014 87 A HA 0.269 4.582 4.320 -0.011 0.000 0.218 87 A C 2.184 179.783 177.584 0.024 0.000 1.163 87 A CA 1.049 53.127 52.037 0.067 0.000 0.652 87 A CB -0.569 18.484 19.000 0.088 0.000 0.808 87 A HN 0.578 nan 8.150 nan 0.000 0.449 88 L N -1.966 119.250 121.223 -0.011 0.000 2.375 88 L HA 0.036 4.369 4.340 -0.011 0.000 0.215 88 L C 2.357 179.023 176.870 -0.340 0.000 1.108 88 L CA 0.585 55.337 54.840 -0.147 0.000 0.830 88 L CB -0.422 41.529 42.059 -0.179 0.000 0.959 88 L HN 0.436 nan 8.230 nan 0.000 0.457 89 H N -1.341 117.563 119.070 -0.276 0.000 2.379 89 H HA 0.091 4.646 4.556 -0.002 0.000 0.308 89 H C 0.792 175.794 175.328 -0.543 0.000 1.047 89 H CA 1.022 56.736 56.048 -0.556 0.000 1.371 89 H CB 0.336 29.473 29.762 -1.043 0.000 1.449 89 H HN 0.288 nan 8.280 nan 0.000 0.564 90 Y N 0.088 120.477 120.300 0.149 0.000 2.681 90 Y HA 0.456 4.994 4.550 -0.019 0.000 0.267 90 Y C 1.084 177.018 175.900 0.055 0.000 1.166 90 Y CA 0.062 58.210 58.100 0.080 0.000 1.209 90 Y CB 0.713 39.209 38.460 0.060 0.000 1.161 90 Y HN 0.166 nan 8.280 nan 0.000 0.534 91 A N -0.045 122.850 122.820 0.124 0.000 2.783 91 A HA -0.216 4.097 4.320 -0.011 0.000 0.292 91 A C 0.093 177.738 177.584 0.102 0.000 1.495 91 A CA 0.680 52.780 52.037 0.105 0.000 0.787 91 A CB -2.359 16.707 19.000 0.110 0.000 1.017 91 A HN 0.211 nan 8.150 nan 0.000 0.516 92 V N 1.221 121.194 119.914 0.097 0.000 2.341 92 V HA 0.441 4.555 4.120 -0.011 0.000 0.248 92 V C 0.521 176.627 176.094 0.019 0.000 1.107 92 V CA 1.158 63.486 62.300 0.047 0.000 1.069 92 V CB -0.645 31.203 31.823 0.041 0.000 1.177 92 V HN 0.864 nan 8.190 nan 0.000 0.492 93 E N 5.163 125.382 120.200 0.032 0.000 2.422 93 E HA 0.771 5.114 4.350 -0.011 0.000 0.280 93 E C -1.621 175.037 176.600 0.097 0.000 1.091 93 E CA -1.216 55.219 56.400 0.058 0.000 0.849 93 E CB 2.276 32.045 29.700 0.114 0.000 1.353 93 E HN 0.294 nan 8.360 nan 0.000 0.449 94 L N -1.623 119.689 121.223 0.148 0.000 2.794 94 L HA 0.844 5.177 4.340 -0.011 0.000 0.261 94 L C -1.332 175.683 176.870 0.241 0.000 0.989 94 L CA -0.812 54.127 54.840 0.165 0.000 0.900 94 L CB 1.220 43.329 42.059 0.083 0.000 1.473 94 L HN 0.768 nan 8.230 nan 0.000 0.414 95 F N -1.938 118.016 119.950 0.006 0.000 2.726 95 F HA 1.017 5.537 4.527 -0.012 0.000 0.324 95 F C -0.673 175.117 175.800 -0.017 0.000 1.140 95 F CA -0.527 57.454 58.000 -0.032 0.000 0.964 95 F CB 1.521 40.484 39.000 -0.061 0.000 1.399 95 F HN 0.618 nan 8.300 nan 0.000 0.491 96 E N -0.559 119.705 120.200 0.107 0.000 2.456 96 E HA 0.662 5.005 4.350 -0.011 0.000 0.276 96 E C -1.466 175.195 176.600 0.102 0.000 0.981 96 E CA -0.966 55.426 56.400 -0.012 0.000 0.814 96 E CB 2.083 31.760 29.700 -0.038 0.000 1.382 96 E HN 1.073 nan 8.360 nan 0.000 0.459 97 G N 1.206 110.004 108.800 -0.003 0.000 2.417 97 G HA2 0.542 4.495 3.960 -0.011 0.000 0.282 97 G HA3 0.542 4.495 3.960 -0.011 0.000 0.282 97 G C -0.986 173.815 174.900 -0.165 0.000 1.388 97 G CA -0.488 44.518 45.100 -0.156 0.000 1.276 97 G HN 0.295 nan 8.290 nan 0.000 0.602 98 L N -1.316 119.718 121.223 -0.314 0.000 2.277 98 L HA 0.926 5.259 4.340 -0.011 0.000 0.254 98 L C -0.694 176.052 176.870 -0.207 0.000 1.044 98 L CA -1.387 53.373 54.840 -0.134 0.000 0.842 98 L CB 2.233 44.251 42.059 -0.067 0.000 1.422 98 L HN 0.233 nan 8.230 nan 0.000 0.422 99 K N 0.184 120.523 120.400 -0.101 0.000 2.443 99 K HA 0.848 5.162 4.320 -0.011 0.000 0.251 99 K C -1.326 175.036 176.600 -0.398 0.000 0.972 99 K CA -0.815 55.280 56.287 -0.319 0.000 0.833 99 K CB 2.454 34.643 32.500 -0.518 0.000 1.317 99 K HN 0.821 nan 8.250 nan 0.000 0.441 100 A N 2.030 124.511 122.820 -0.564 0.000 2.331 100 A HA 0.764 5.077 4.320 -0.011 0.000 0.320 100 A C -1.376 175.855 177.584 -0.589 0.000 1.138 100 A CA -0.577 51.244 52.037 -0.359 0.000 0.790 100 A CB 0.205 19.101 19.000 -0.172 0.000 1.206 100 A HN 0.527 nan 8.150 nan 0.000 0.470 101 F N 0.687 120.575 119.950 -0.104 0.000 2.520 101 F HA 0.574 5.094 4.527 -0.011 0.000 0.322 101 F C 0.615 176.372 175.800 -0.072 0.000 1.103 101 F CA -0.608 57.282 58.000 -0.183 0.000 0.926 101 F CB 1.988 40.654 39.000 -0.556 0.000 1.154 101 F HN 0.632 nan 8.300 nan 0.000 0.453 102 R N 1.796 122.406 120.500 0.184 0.000 2.210 102 R HA 0.489 4.822 4.340 -0.011 0.000 0.338 102 R C 0.298 176.753 176.300 0.259 0.000 1.062 102 R CA -0.269 55.904 56.100 0.122 0.000 0.902 102 R CB 0.230 30.512 30.300 -0.030 0.000 1.050 102 R HN 0.918 nan 8.270 nan 0.000 0.461 103 G N 1.436 110.355 108.800 0.197 0.000 2.667 103 G HA2 0.085 4.038 3.960 -0.011 0.000 0.250 103 G HA3 0.085 4.038 3.960 -0.011 0.000 0.250 103 G C 1.126 176.130 174.900 0.172 0.000 1.212 103 G CA -0.216 45.014 45.100 0.218 0.000 0.874 103 G HN 0.578 nan 8.290 nan 0.000 0.561 104 V N -1.428 118.574 119.914 0.147 0.000 2.867 104 V HA -0.070 4.043 4.120 -0.011 0.000 0.260 104 V C 1.557 177.697 176.094 0.078 0.000 1.099 104 V CA 2.054 64.407 62.300 0.089 0.000 1.122 104 V CB -0.654 31.205 31.823 0.060 0.000 0.708 104 V HN 0.661 nan 8.190 nan 0.000 0.490 105 D N -0.477 119.973 120.400 0.083 0.000 2.340 105 D HA 0.027 4.660 4.640 -0.011 0.000 0.217 105 D C 1.147 177.493 176.300 0.076 0.000 1.081 105 D CA 0.229 54.270 54.000 0.069 0.000 0.842 105 D CB -0.915 39.920 40.800 0.059 0.000 0.934 105 D HN 0.512 nan 8.370 nan 0.000 0.511 106 N N 0.573 119.327 118.700 0.091 0.000 2.741 106 N HA -0.161 4.572 4.740 -0.011 0.000 0.251 106 N C -0.996 174.558 175.510 0.074 0.000 1.112 106 N CA 0.547 53.653 53.050 0.093 0.000 0.750 106 N CB -0.531 38.023 38.487 0.111 0.000 1.119 106 N HN 0.238 nan 8.380 nan 0.000 0.561 107 K N 1.279 121.724 120.400 0.075 0.000 2.211 107 K HA 0.359 4.672 4.320 -0.011 0.000 0.275 107 K C 0.560 177.201 176.600 0.069 0.000 1.024 107 K CA -0.477 55.848 56.287 0.064 0.000 0.887 107 K CB 1.096 33.633 32.500 0.062 0.000 1.084 107 K HN 0.209 nan 8.250 nan 0.000 0.463 108 I N 3.936 124.537 120.570 0.052 0.000 2.496 108 I HA 0.107 4.271 4.170 -0.011 0.000 0.285 108 I C 0.645 176.803 176.117 0.069 0.000 1.080 108 I CA 0.155 61.485 61.300 0.050 0.000 1.404 108 I CB 0.389 38.402 38.000 0.022 0.000 1.403 108 I HN 0.260 nan 8.210 nan 0.000 0.539 109 R N 6.148 126.713 120.500 0.107 0.000 2.807 109 R HA 0.739 5.072 4.340 -0.011 0.000 0.276 109 R C -1.291 175.119 176.300 0.184 0.000 0.979 109 R CA -1.016 55.166 56.100 0.137 0.000 0.928 109 R CB 2.244 32.638 30.300 0.156 0.000 1.191 109 R HN 0.470 nan 8.270 nan 0.000 0.471 110 L N 1.479 122.800 121.223 0.164 0.000 2.334 110 L HA 0.528 4.861 4.340 -0.011 0.000 0.273 110 L C -0.928 176.103 176.870 0.267 0.000 1.013 110 L CA -0.844 54.098 54.840 0.171 0.000 0.816 110 L CB 1.362 43.463 42.059 0.069 0.000 1.278 110 L HN 0.452 nan 8.230 nan 0.000 0.431 111 F N 2.669 122.709 119.950 0.149 0.000 2.388 111 F HA 0.278 4.798 4.527 -0.012 0.000 0.358 111 F C 0.401 176.219 175.800 0.029 0.000 1.122 111 F CA -0.443 57.630 58.000 0.121 0.000 1.056 111 F CB 0.664 39.777 39.000 0.187 0.000 1.155 111 F HN 0.510 nan 8.300 nan 0.000 0.461 112 Q N 4.560 124.036 119.800 -0.541 0.000 2.411 112 Q HA -0.216 4.117 4.340 -0.011 0.000 0.305 112 Q C -1.853 174.021 176.000 -0.209 0.000 1.273 112 Q CA 0.647 56.163 55.803 -0.479 0.000 0.895 112 Q CB -1.160 27.098 28.738 -0.800 0.000 1.198 112 Q HN 0.553 nan 8.270 nan 0.000 0.470 113 P HA -0.161 nan 4.420 nan 0.000 0.215 113 P C 1.145 178.409 177.300 -0.061 0.000 1.153 113 P CA 1.008 64.075 63.100 -0.055 0.000 0.853 113 P CB 0.062 31.744 31.700 -0.031 0.000 0.788 114 N N -0.581 118.076 118.700 -0.072 0.000 2.258 114 N HA -0.122 4.611 4.740 -0.011 0.000 0.187 114 N C 1.648 177.117 175.510 -0.069 0.000 1.012 114 N CA 1.044 54.056 53.050 -0.064 0.000 0.870 114 N CB -0.560 37.887 38.487 -0.067 0.000 0.977 114 N HN 0.255 nan 8.380 nan 0.000 0.434 115 L N 0.706 121.872 121.223 -0.095 0.000 2.131 115 L HA -0.032 4.301 4.340 -0.011 0.000 0.206 115 L C 1.911 178.750 176.870 -0.052 0.000 1.087 115 L CA 0.621 55.408 54.840 -0.088 0.000 0.767 115 L CB -0.333 41.647 42.059 -0.131 0.000 0.917 115 L HN 0.129 nan 8.230 nan 0.000 0.441 116 N N 0.018 118.692 118.700 -0.044 0.000 2.188 116 N HA -0.137 4.596 4.740 -0.011 0.000 0.184 116 N C 1.848 177.368 175.510 0.017 0.000 1.018 116 N CA 1.258 54.295 53.050 -0.020 0.000 0.858 116 N CB -0.041 38.430 38.487 -0.027 0.000 0.989 116 N HN 0.281 nan 8.380 nan 0.000 0.426 117 M N 1.116 120.731 119.600 0.026 0.000 2.175 117 M HA -0.081 4.392 4.480 -0.011 0.000 0.264 117 M C 1.204 177.560 176.300 0.092 0.000 1.063 117 M CA 1.145 56.502 55.300 0.095 0.000 1.119 117 M CB -0.936 31.707 32.600 0.072 0.000 1.377 117 M HN 0.029 nan 8.290 nan 0.000 0.415 118 D N -0.078 120.333 120.400 0.017 0.000 2.084 118 D HA -0.149 4.485 4.640 -0.011 0.000 0.196 118 D C 2.099 178.431 176.300 0.053 0.000 0.985 118 D CA 1.128 55.128 54.000 -0.001 0.000 0.826 118 D CB -0.366 40.410 40.800 -0.041 0.000 0.978 118 D HN 0.333 nan 8.370 nan 0.000 0.456 119 R N 0.216 120.734 120.500 0.030 0.000 2.083 119 R HA -0.084 4.249 4.340 -0.011 0.000 0.237 119 R C 2.375 178.709 176.300 0.057 0.000 1.137 119 R CA 1.109 57.224 56.100 0.024 0.000 0.951 119 R CB -0.270 30.024 30.300 -0.010 0.000 0.851 119 R HN 0.117 nan 8.270 nan 0.000 0.434 120 M N -0.583 119.077 119.600 0.099 0.000 2.159 120 M HA -0.231 4.243 4.480 -0.011 0.000 0.263 120 M C 1.813 178.245 176.300 0.220 0.000 1.063 120 M CA 1.667 57.071 55.300 0.172 0.000 1.110 120 M CB -0.187 32.562 32.600 0.248 0.000 1.374 120 M HN 0.274 nan 8.290 nan 0.000 0.411 121 Y N 0.599 120.905 120.300 0.010 0.000 2.163 121 Y HA -0.279 4.265 4.550 -0.010 0.000 0.288 121 Y C 2.602 178.441 175.900 -0.101 0.000 1.136 121 Y CA 3.067 61.049 58.100 -0.197 0.000 1.147 121 Y CB -0.659 37.617 38.460 -0.306 0.000 0.987 121 Y HN 0.250 nan 8.280 nan 0.000 0.509 122 R N -0.065 120.503 120.500 0.114 0.000 2.105 122 R HA -0.126 4.207 4.340 -0.011 0.000 0.239 122 R C 2.313 178.595 176.300 -0.030 0.000 1.135 122 R CA 1.960 58.081 56.100 0.036 0.000 0.967 122 R CB -1.752 28.577 30.300 0.048 0.000 0.861 122 R HN 0.486 nan 8.270 nan 0.000 0.442 123 S N 0.330 116.027 115.700 -0.005 0.000 2.383 123 S HA 0.004 4.468 4.470 -0.011 0.000 0.227 123 S C 2.568 177.153 174.600 -0.025 0.000 1.026 123 S CA 0.993 59.188 58.200 -0.009 0.000 0.981 123 S CB -0.357 62.848 63.200 0.009 0.000 0.818 123 S HN 0.844 nan 8.310 nan 0.000 0.472 124 A N 1.300 124.112 122.820 -0.013 0.000 1.883 124 A HA -0.071 4.242 4.320 -0.011 0.000 0.217 124 A C 2.350 179.838 177.584 -0.161 0.000 1.186 124 A CA 1.645 53.661 52.037 -0.035 0.000 0.624 124 A CB -1.041 18.017 19.000 0.096 0.000 0.822 124 A HN 0.333 nan 8.150 nan 0.000 0.444 125 V N 0.016 119.791 119.914 -0.233 0.000 2.332 125 V HA -0.234 3.879 4.120 -0.011 0.000 0.248 125 V C 2.674 178.694 176.094 -0.123 0.000 1.055 125 V CA 2.397 64.573 62.300 -0.207 0.000 1.038 125 V CB -0.764 30.933 31.823 -0.209 0.000 0.651 125 V HN 0.615 nan 8.190 nan 0.000 0.450 126 R N 0.617 121.063 120.500 -0.091 0.000 2.235 126 R HA 0.070 4.403 4.340 -0.011 0.000 0.213 126 R C 1.758 178.022 176.300 -0.060 0.000 1.059 126 R CA 1.297 57.361 56.100 -0.060 0.000 0.997 126 R CB -0.537 29.740 30.300 -0.039 0.000 0.884 126 R HN 0.473 nan 8.270 nan 0.000 0.462 127 A N -0.806 121.966 122.820 -0.081 0.000 2.267 127 A HA 0.134 4.447 4.320 -0.011 0.000 0.213 127 A C 0.706 178.220 177.584 -0.117 0.000 1.192 127 A CA 0.847 52.833 52.037 -0.086 0.000 0.851 127 A CB -0.279 18.662 19.000 -0.099 0.000 0.881 127 A HN 0.533 nan 8.150 nan 0.000 0.494 128 T N -2.954 111.521 114.554 -0.132 0.000 4.595 128 T HA -0.171 4.173 4.350 -0.011 0.000 0.311 128 T C -0.065 174.506 174.700 -0.216 0.000 1.052 128 T CA 1.055 63.069 62.100 -0.142 0.000 2.205 128 T CB -2.862 65.946 68.868 -0.100 0.000 1.872 128 T HN 0.365 nan 8.240 nan 0.000 0.961 129 L N 1.487 122.537 121.223 -0.288 0.000 2.421 129 L HA 0.567 4.900 4.340 -0.011 0.000 0.263 129 L C -1.452 175.195 176.870 -0.372 0.000 1.122 129 L CA -2.715 51.843 54.840 -0.470 0.000 0.804 129 L CB 0.716 42.294 42.059 -0.802 0.000 1.150 129 L HN 0.085 nan 8.230 nan 0.000 0.457 130 P HA 0.022 nan 4.420 nan 0.000 0.267 130 P C -0.454 176.922 177.300 0.127 0.000 1.205 130 P CA -0.143 62.687 63.100 -0.450 0.000 0.765 130 P CB 0.720 31.479 31.700 -1.568 0.000 0.828 131 V N 2.187 122.111 119.914 0.016 0.000 3.185 131 V HA 0.577 4.690 4.120 -0.011 0.000 0.305 131 V C 0.042 176.315 176.094 0.299 0.000 1.090 131 V CA -0.030 62.211 62.300 -0.098 0.000 1.107 131 V CB -0.377 31.311 31.823 -0.225 0.000 1.061 131 V HN 0.576 nan 8.190 nan 0.000 0.480 132 F N -1.043 119.053 119.950 0.243 0.000 2.711 132 F HA 0.595 5.114 4.527 -0.013 0.000 0.313 132 F C -0.734 175.030 175.800 -0.059 0.000 1.141 132 F CA -1.400 56.572 58.000 -0.046 0.000 0.941 132 F CB 1.259 40.008 39.000 -0.418 0.000 1.349 132 F HN 0.624 nan 8.300 nan 0.000 0.464 133 D N 1.708 122.081 120.400 -0.044 0.000 2.325 133 D HA 0.165 4.799 4.640 -0.011 0.000 0.251 133 D C 0.498 176.823 176.300 0.043 0.000 1.196 133 D CA 0.005 53.953 54.000 -0.086 0.000 0.866 133 D CB 1.399 42.092 40.800 -0.179 0.000 1.101 133 D HN 0.691 nan 8.370 nan 0.000 0.476 134 K N 2.579 122.994 120.400 0.026 0.000 2.074 134 K HA -0.175 4.138 4.320 -0.011 0.000 0.209 134 K C 1.588 178.203 176.600 0.025 0.000 1.048 134 K CA 1.088 57.434 56.287 0.099 0.000 0.926 134 K CB 0.249 32.728 32.500 -0.035 0.000 0.713 134 K HN 0.445 nan 8.250 nan 0.000 0.444 135 E N 0.937 121.114 120.200 -0.038 0.000 2.085 135 E HA -0.187 4.156 4.350 -0.011 0.000 0.194 135 E C 1.953 178.531 176.600 -0.037 0.000 0.994 135 E CA 1.119 57.495 56.400 -0.040 0.000 0.801 135 E CB -0.103 29.565 29.700 -0.053 0.000 0.743 135 E HN 0.315 nan 8.360 nan 0.000 0.453 136 E N 0.949 121.106 120.200 -0.072 0.000 2.051 136 E HA -0.120 4.223 4.350 -0.011 0.000 0.192 136 E C 2.347 178.969 176.600 0.038 0.000 0.991 136 E CA 0.303 56.663 56.400 -0.066 0.000 0.799 136 E CB -0.482 29.077 29.700 -0.235 0.000 0.748 136 E HN 0.245 nan 8.360 nan 0.000 0.449 137 L N 0.662 121.900 121.223 0.025 0.000 2.017 137 L HA -0.192 4.141 4.340 -0.011 0.000 0.208 137 L C 2.549 179.417 176.870 -0.003 0.000 1.073 137 L CA 0.983 55.861 54.840 0.064 0.000 0.745 137 L CB -0.224 41.773 42.059 -0.103 0.000 0.894 137 L HN 0.154 nan 8.230 nan 0.000 0.432 138 L N 0.316 121.535 121.223 -0.006 0.000 2.042 138 L HA -0.250 4.083 4.340 -0.011 0.000 0.210 138 L C 2.393 179.252 176.870 -0.018 0.000 1.076 138 L CA 2.044 56.873 54.840 -0.018 0.000 0.749 138 L CB -0.565 41.486 42.059 -0.014 0.000 0.893 138 L HN 0.274 nan 8.230 nan 0.000 0.432 139 E N -0.970 119.225 120.200 -0.008 0.000 2.106 139 E HA -0.186 4.157 4.350 -0.011 0.000 0.192 139 E C 2.204 178.798 176.600 -0.010 0.000 0.984 139 E CA 1.731 58.126 56.400 -0.008 0.000 0.806 139 E CB -0.630 29.068 29.700 -0.004 0.000 0.750 139 E HN 0.613 nan 8.360 nan 0.000 0.458 140 C N 0.024 119.323 119.300 -0.002 0.000 2.425 140 C HA -0.014 4.439 4.460 -0.011 0.000 0.277 140 C C 2.596 177.557 174.990 -0.049 0.000 1.280 140 C CA 0.509 59.511 59.018 -0.026 0.000 1.744 140 C CB -0.967 26.749 27.740 -0.041 0.000 1.989 140 C HN 0.466 nan 8.230 nan 0.000 0.491 141 I N 0.417 120.955 120.570 -0.053 0.000 2.202 141 I HA -0.251 3.912 4.170 -0.011 0.000 0.242 141 I C 2.695 178.786 176.117 -0.043 0.000 1.091 141 I CA 1.509 62.773 61.300 -0.060 0.000 1.368 141 I CB -0.640 37.319 38.000 -0.068 0.000 1.058 141 I HN 0.445 nan 8.210 nan 0.000 0.410 142 Q N 0.276 120.057 119.800 -0.032 0.000 2.181 142 Q HA -0.242 4.091 4.340 -0.011 0.000 0.205 142 Q C 2.209 178.196 176.000 -0.021 0.000 0.980 142 Q CA 1.202 56.992 55.803 -0.022 0.000 0.862 142 Q CB -0.107 28.622 28.738 -0.014 0.000 0.905 142 Q HN 0.559 nan 8.270 nan 0.000 0.429 143 Q N 0.177 119.961 119.800 -0.027 0.000 2.172 143 Q HA -0.053 4.281 4.340 -0.011 0.000 0.200 143 Q C 2.123 178.098 176.000 -0.041 0.000 0.964 143 Q CA 0.664 56.448 55.803 -0.032 0.000 0.855 143 Q CB -0.061 28.656 28.738 -0.035 0.000 0.918 143 Q HN 0.428 nan 8.270 nan 0.000 0.444 144 L N 0.308 121.507 121.223 -0.041 0.000 2.044 144 L HA -0.119 4.214 4.340 -0.011 0.000 0.205 144 L C 2.203 179.058 176.870 -0.024 0.000 1.075 144 L CA 0.912 55.728 54.840 -0.040 0.000 0.747 144 L CB -0.127 41.910 42.059 -0.036 0.000 0.903 144 L HN 0.026 nan 8.230 nan 0.000 0.435 145 V N 0.065 119.967 119.914 -0.020 0.000 2.427 145 V HA -0.292 3.822 4.120 -0.011 0.000 0.248 145 V C 2.488 178.593 176.094 0.017 0.000 1.051 145 V CA 1.868 64.166 62.300 -0.003 0.000 1.048 145 V CB -0.597 31.216 31.823 -0.017 0.000 0.666 145 V HN 0.448 nan 8.190 nan 0.000 0.456 146 K N -0.015 120.387 120.400 0.003 0.000 2.057 146 K HA -0.157 4.156 4.320 -0.011 0.000 0.207 146 K C 2.226 178.835 176.600 0.014 0.000 1.049 146 K CA 1.446 57.739 56.287 0.010 0.000 0.931 146 K CB -0.200 32.298 32.500 -0.002 0.000 0.714 146 K HN 0.391 nan 8.250 nan 0.000 0.440 147 L N 0.746 121.959 121.223 -0.017 0.000 2.046 147 L HA -0.161 4.172 4.340 -0.011 0.000 0.208 147 L C 0.481 177.374 176.870 0.038 0.000 1.077 147 L CA 1.750 56.559 54.840 -0.051 0.000 0.747 147 L CB -0.097 41.852 42.059 -0.184 0.000 0.896 147 L HN 0.222 nan 8.230 nan 0.000 0.432 148 D N -0.840 119.621 120.400 0.102 0.000 2.615 148 D HA -0.003 4.630 4.640 -0.011 0.000 0.236 148 D C 1.686 178.167 176.300 0.302 0.000 1.233 148 D CA 0.002 54.178 54.000 0.293 0.000 0.829 148 D CB 0.444 41.374 40.800 0.218 0.000 1.024 148 D HN 0.527 nan 8.370 nan 0.000 0.490 149 Q N 0.121 120.023 119.800 0.169 0.000 2.297 149 Q HA -0.141 4.192 4.340 -0.011 0.000 0.208 149 Q C 0.899 176.970 176.000 0.118 0.000 0.981 149 Q CA 1.033 56.905 55.803 0.116 0.000 0.876 149 Q CB 0.048 28.826 28.738 0.066 0.000 0.921 149 Q HN -0.011 nan 8.270 nan 0.000 0.446 150 E N -0.012 120.280 120.200 0.153 0.000 2.478 150 E HA -0.118 4.225 4.350 -0.011 0.000 0.198 150 E C 0.813 177.425 176.600 0.020 0.000 1.046 150 E CA 0.547 57.006 56.400 0.099 0.000 0.870 150 E CB -0.111 29.619 29.700 0.049 0.000 0.818 150 E HN 0.600 nan 8.360 nan 0.000 0.527 151 W N 0.490 121.819 121.300 0.049 0.000 2.576 151 W HA 0.009 4.663 4.660 -0.010 0.000 0.270 151 W C 0.677 177.185 176.519 -0.019 0.000 1.255 151 W CA 0.018 57.383 57.345 0.034 0.000 1.314 151 W CB 0.071 29.550 29.460 0.031 0.000 1.101 151 W HN -0.301 nan 8.180 nan 0.000 0.595 152 V N 3.940 123.930 119.914 0.126 0.000 2.420 152 V HA -0.034 4.080 4.120 -0.011 0.000 0.274 152 V C -1.694 174.325 176.094 -0.125 0.000 1.003 152 V CA -1.258 61.035 62.300 -0.011 0.000 1.092 152 V CB -0.899 30.886 31.823 -0.063 0.000 1.002 152 V HN -0.255 nan 8.190 nan 0.000 0.473 153 P HA -0.138 nan 4.420 nan 0.000 0.268 153 P C -0.664 176.562 177.300 -0.124 0.000 1.171 153 P CA 0.717 63.813 63.100 -0.006 0.000 0.761 153 P CB 0.122 31.863 31.700 0.069 0.000 0.786 154 Y N 1.336 121.670 120.300 0.056 0.000 2.850 154 Y HA 0.451 4.994 4.550 -0.011 0.000 0.360 154 Y C 0.793 176.716 175.900 0.039 0.000 1.174 154 Y CA 0.233 58.361 58.100 0.048 0.000 1.373 154 Y CB 0.353 38.823 38.460 0.017 0.000 1.487 154 Y HN 0.207 nan 8.280 nan 0.000 0.553 155 S N -0.458 115.316 115.700 0.123 0.000 2.537 155 S HA 0.171 4.634 4.470 -0.011 0.000 0.271 155 S C 0.259 174.858 174.600 -0.002 0.000 1.148 155 S CA -0.457 57.781 58.200 0.064 0.000 0.868 155 S CB 1.620 64.861 63.200 0.068 0.000 1.115 155 S HN 0.275 nan 8.310 nan 0.000 0.461 156 T N 1.513 115.969 114.554 -0.162 0.000 3.188 156 T HA 0.228 4.571 4.350 -0.011 0.000 0.250 156 T C 0.933 175.281 174.700 -0.587 0.000 1.077 156 T CA 0.935 62.687 62.100 -0.579 0.000 0.967 156 T CB -0.627 67.943 68.868 -0.496 0.000 1.006 156 T HN 0.836 nan 8.240 nan 0.000 0.552 157 S N -0.746 114.864 115.700 -0.150 0.000 2.780 157 S HA 0.739 5.202 4.470 -0.011 0.000 0.248 157 S C 0.340 175.031 174.600 0.153 0.000 1.036 157 S CA -0.237 57.964 58.200 0.002 0.000 1.061 157 S CB 0.590 63.781 63.200 -0.016 0.000 1.037 157 S HN 0.480 nan 8.310 nan 0.000 0.584 158 A N 1.333 124.282 122.820 0.216 0.000 2.485 158 A HA 0.978 5.291 4.320 -0.011 0.000 0.292 158 A C -0.150 177.603 177.584 0.281 0.000 1.147 158 A CA -0.298 51.868 52.037 0.215 0.000 0.750 158 A CB 1.610 20.690 19.000 0.134 0.000 1.331 158 A HN 1.056 nan 8.150 nan 0.000 0.419 159 S N -1.076 114.705 115.700 0.134 0.000 2.724 159 S HA 0.691 5.155 4.470 -0.011 0.000 0.278 159 S C -1.807 172.744 174.600 -0.081 0.000 1.190 159 S CA -0.531 57.646 58.200 -0.037 0.000 0.860 159 S CB 0.700 63.718 63.200 -0.304 0.000 1.206 159 S HN 1.658 nan 8.310 nan 0.000 0.507 160 L N 1.651 122.760 121.223 -0.190 0.000 2.325 160 L HA 0.628 4.961 4.340 -0.011 0.000 0.281 160 L C -1.353 175.444 176.870 -0.121 0.000 1.004 160 L CA -0.573 54.203 54.840 -0.107 0.000 0.823 160 L CB 1.265 43.276 42.059 -0.079 0.000 1.236 160 L HN 0.807 nan 8.230 nan 0.000 0.415 161 Y N 5.668 125.846 120.300 -0.204 0.000 2.316 161 Y HA 0.545 5.088 4.550 -0.012 0.000 0.331 161 Y C -0.384 175.436 175.900 -0.134 0.000 1.083 161 Y CA -0.321 57.669 58.100 -0.184 0.000 1.206 161 Y CB 0.698 38.988 38.460 -0.283 0.000 1.195 161 Y HN 0.494 nan 8.280 nan 0.000 0.497 162 I N 7.560 127.789 120.570 -0.567 0.000 2.330 162 I HA 0.304 4.467 4.170 -0.011 0.000 0.289 162 I C -0.500 175.297 176.117 -0.533 0.000 1.001 162 I CA -0.860 60.203 61.300 -0.395 0.000 1.193 162 I CB 1.154 38.995 38.000 -0.265 0.000 1.345 162 I HN 0.437 nan 8.210 nan 0.000 0.461 163 R N 9.036 129.389 120.500 -0.245 0.000 2.423 163 R HA 0.471 4.804 4.340 -0.011 0.000 0.293 163 R C -2.838 173.410 176.300 -0.086 0.000 1.196 163 R CA -2.338 53.706 56.100 -0.094 0.000 1.262 163 R CB 0.350 30.750 30.300 0.168 0.000 1.116 163 R HN 0.178 nan 8.270 nan 0.000 0.566 164 P HA 0.284 nan 4.420 nan 0.000 0.275 164 P C -1.096 176.084 177.300 -0.201 0.000 1.227 164 P CA -0.082 62.911 63.100 -0.178 0.000 0.781 164 P CB 1.516 33.132 31.700 -0.141 0.000 0.906 165 T N 2.751 117.029 114.554 -0.461 0.000 2.912 165 T HA 0.556 4.900 4.350 -0.011 0.000 0.299 165 T C -1.454 173.064 174.700 -0.305 0.000 1.052 165 T CA -0.184 61.620 62.100 -0.493 0.000 0.996 165 T CB 0.872 69.080 68.868 -1.100 0.000 1.070 165 T HN 0.094 nan 8.240 nan 0.000 0.465 166 F N 4.564 124.415 119.950 -0.164 0.000 2.612 166 F HA 0.634 5.155 4.527 -0.010 0.000 0.332 166 F C -1.017 174.830 175.800 0.078 0.000 1.167 166 F CA -2.326 55.675 58.000 0.001 0.000 0.970 166 F CB 0.525 39.562 39.000 0.061 0.000 1.234 166 F HN 0.595 nan 8.300 nan 0.000 0.453 167 I N 1.793 122.551 120.570 0.313 0.000 2.693 167 I HA 0.905 5.068 4.170 -0.011 0.000 0.303 167 I C 0.139 176.294 176.117 0.063 0.000 1.025 167 I CA -1.174 60.214 61.300 0.147 0.000 1.086 167 I CB 2.130 40.271 38.000 0.236 0.000 1.268 167 I HN 0.610 nan 8.210 nan 0.000 0.440 168 G N 1.534 110.338 108.800 0.007 0.000 2.353 168 G HA2 0.466 4.419 3.960 -0.011 0.000 0.284 168 G HA3 0.466 4.419 3.960 -0.011 0.000 0.284 168 G C 0.327 175.273 174.900 0.076 0.000 1.172 168 G CA -0.200 44.905 45.100 0.008 0.000 0.854 168 G HN 0.873 nan 8.290 nan 0.000 0.485 169 T N -0.789 113.822 114.554 0.094 0.000 3.266 169 T HA 0.230 4.573 4.350 -0.011 0.000 0.278 169 T C 0.293 175.024 174.700 0.051 0.000 1.010 169 T CA -0.498 61.657 62.100 0.092 0.000 0.909 169 T CB 0.441 69.376 68.868 0.112 0.000 1.122 169 T HN 0.387 nan 8.240 nan 0.000 0.536 170 E N 4.253 124.477 120.200 0.040 0.000 2.493 170 E HA 0.056 4.399 4.350 -0.011 0.000 0.255 170 E C -1.861 174.691 176.600 -0.081 0.000 0.999 170 E CA -1.607 54.789 56.400 -0.006 0.000 0.934 170 E CB 1.103 30.816 29.700 0.020 0.000 0.940 170 E HN 0.269 nan 8.360 nan 0.000 0.473 171 P HA 0.011 nan 4.420 nan 0.000 0.243 171 P C -0.680 176.412 177.300 -0.348 0.000 1.668 171 P CA 0.051 62.860 63.100 -0.485 0.000 0.898 171 P CB -0.094 31.143 31.700 -0.770 0.000 1.637 172 S N -0.848 114.752 115.700 -0.168 0.000 2.541 172 S HA 0.381 4.845 4.470 -0.011 0.000 0.280 172 S C 0.679 175.248 174.600 -0.051 0.000 1.112 172 S CA -0.837 57.301 58.200 -0.103 0.000 0.925 172 S CB 1.238 64.397 63.200 -0.067 0.000 1.067 172 S HN -0.058 nan 8.310 nan 0.000 0.479 173 L N 1.752 122.946 121.223 -0.048 0.000 2.622 173 L HA 0.206 4.539 4.340 -0.011 0.000 0.233 173 L C 1.537 178.511 176.870 0.173 0.000 1.156 173 L CA 0.257 55.112 54.840 0.026 0.000 0.866 173 L CB -1.159 40.886 42.059 -0.023 0.000 0.980 173 L HN 0.925 nan 8.230 nan 0.000 0.448 174 G N 0.617 109.454 108.800 0.062 0.000 2.343 174 G HA2 0.299 4.253 3.960 -0.011 0.000 0.254 174 G HA3 0.299 4.253 3.960 -0.011 0.000 0.254 174 G C -0.082 174.766 174.900 -0.088 0.000 1.277 174 G CA -0.342 44.748 45.100 -0.017 0.000 0.909 174 G HN -0.067 nan 8.290 nan 0.000 0.502 175 V N 5.241 124.960 119.914 -0.325 0.000 2.403 175 V HA 0.364 4.478 4.120 -0.011 0.000 0.265 175 V C 0.404 176.358 176.094 -0.233 0.000 1.034 175 V CA 0.190 62.162 62.300 -0.546 0.000 1.036 175 V CB -0.403 31.002 31.823 -0.696 0.000 1.032 175 V HN 0.997 nan 8.190 nan 0.000 0.478 176 K N 4.334 124.660 120.400 -0.125 0.000 2.809 176 K HA 0.245 4.559 4.320 -0.011 0.000 0.293 176 K C -0.901 175.681 176.600 -0.030 0.000 1.061 176 K CA -1.007 55.238 56.287 -0.070 0.000 0.837 176 K CB 1.072 33.537 32.500 -0.059 0.000 1.524 176 K HN 0.292 nan 8.250 nan 0.000 0.370 177 K N 2.468 122.849 120.400 -0.031 0.000 2.473 177 K HA 0.055 4.368 4.320 -0.011 0.000 0.277 177 K C -1.820 174.781 176.600 0.002 0.000 1.052 177 K CA -0.652 55.619 56.287 -0.026 0.000 1.114 177 K CB 0.055 32.539 32.500 -0.027 0.000 0.869 177 K HN 0.349 nan 8.250 nan 0.000 0.481 178 P HA -0.013 nan 4.420 nan 0.000 0.271 178 P C -0.030 177.366 177.300 0.160 0.000 1.216 178 P CA -0.129 63.001 63.100 0.050 0.000 0.771 178 P CB 1.199 32.908 31.700 0.016 0.000 0.864 179 T N -0.521 114.125 114.554 0.154 0.000 3.086 179 T HA 0.235 4.578 4.350 -0.011 0.000 0.250 179 T C 0.458 175.244 174.700 0.143 0.000 1.074 179 T CA 0.086 62.284 62.100 0.163 0.000 0.988 179 T CB -0.016 68.843 68.868 -0.014 0.000 0.988 179 T HN 0.342 nan 8.240 nan 0.000 0.530 180 K N 0.271 120.822 120.400 0.252 0.000 2.523 180 K HA 0.758 5.071 4.320 -0.011 0.000 0.257 180 K C -1.641 175.138 176.600 0.298 0.000 0.932 180 K CA -0.841 55.582 56.287 0.227 0.000 0.812 180 K CB 2.625 35.166 32.500 0.068 0.000 1.326 180 K HN 0.204 nan 8.250 nan 0.000 0.433 181 A N 2.054 125.093 122.820 0.365 0.000 2.612 181 A HA 0.662 4.975 4.320 -0.011 0.000 0.293 181 A C -2.193 175.615 177.584 0.373 0.000 1.075 181 A CA -0.694 51.515 52.037 0.286 0.000 0.680 181 A CB 1.700 20.788 19.000 0.147 0.000 1.279 181 A HN 0.468 nan 8.150 nan 0.000 0.411 182 L N 2.286 123.760 121.223 0.418 0.000 2.409 182 L HA 0.604 4.938 4.340 -0.011 0.000 0.272 182 L C -1.797 175.420 176.870 0.578 0.000 0.980 182 L CA -0.616 54.489 54.840 0.441 0.000 0.826 182 L CB 1.469 43.719 42.059 0.318 0.000 1.268 182 L HN 0.784 nan 8.230 nan 0.000 0.407 183 L N 6.989 128.473 121.223 0.435 0.000 2.305 183 L HA 0.616 4.949 4.340 -0.011 0.000 0.284 183 L C -1.207 175.730 176.870 0.111 0.000 1.013 183 L CA -0.303 54.607 54.840 0.118 0.000 0.819 183 L CB 1.159 43.035 42.059 -0.306 0.000 1.227 183 L HN 0.643 nan 8.230 nan 0.000 0.417 184 F N 3.942 123.869 119.950 -0.038 0.000 2.664 184 F HA 0.866 5.385 4.527 -0.013 0.000 0.317 184 F C -1.385 174.375 175.800 -0.068 0.000 1.108 184 F CA -1.102 56.860 58.000 -0.064 0.000 0.957 184 F CB 1.645 40.631 39.000 -0.023 0.000 1.365 184 F HN 0.042 nan 8.300 nan 0.000 0.475 185 V N 2.801 122.797 119.914 0.136 0.000 2.668 185 V HA 0.476 4.589 4.120 -0.011 0.000 0.304 185 V C -0.590 175.580 176.094 0.126 0.000 1.071 185 V CA -0.675 61.636 62.300 0.018 0.000 0.894 185 V CB 1.558 33.340 31.823 -0.068 0.000 1.008 185 V HN 0.797 nan 8.190 nan 0.000 0.425 186 L N 4.940 126.248 121.223 0.141 0.000 2.334 186 L HA 0.705 5.038 4.340 -0.011 0.000 0.270 186 L C -0.826 176.112 176.870 0.113 0.000 1.018 186 L CA -0.748 54.200 54.840 0.180 0.000 0.811 186 L CB 1.896 44.142 42.059 0.312 0.000 1.271 186 L HN 0.391 nan 8.230 nan 0.000 0.443 187 L N 1.411 122.694 121.223 0.100 0.000 2.385 187 L HA 0.529 4.862 4.340 -0.011 0.000 0.273 187 L C -0.444 176.391 176.870 -0.057 0.000 0.990 187 L CA -0.271 54.563 54.840 -0.010 0.000 0.821 187 L CB 1.993 44.001 42.059 -0.086 0.000 1.279 187 L HN 0.554 nan 8.230 nan 0.000 0.412 188 S N 4.561 120.189 115.700 -0.120 0.000 2.733 188 S HA 0.570 5.033 4.470 -0.011 0.000 0.294 188 S C -2.758 171.736 174.600 -0.177 0.000 1.149 188 S CA -1.264 56.756 58.200 -0.299 0.000 1.034 188 S CB 1.852 64.707 63.200 -0.576 0.000 1.015 188 S HN 0.307 nan 8.310 nan 0.000 0.486 189 P HA 0.347 nan 4.420 nan 0.000 0.276 189 P C -0.421 176.843 177.300 -0.061 0.000 1.230 189 P CA -0.236 62.868 63.100 0.006 0.000 0.776 189 P CB 1.106 32.901 31.700 0.159 0.000 0.888 190 V N -0.174 119.719 119.914 -0.034 0.000 3.202 190 V HA 0.907 5.020 4.120 -0.011 0.000 0.306 190 V C -0.012 176.130 176.094 0.079 0.000 1.283 190 V CA -0.234 62.056 62.300 -0.017 0.000 1.065 190 V CB 1.393 33.151 31.823 -0.108 0.000 1.079 190 V HN 0.639 nan 8.190 nan 0.000 0.448 191 G N 0.010 108.884 108.800 0.124 0.000 2.851 191 G HA2 0.646 4.600 3.960 -0.011 0.000 0.208 191 G HA3 0.646 4.600 3.960 -0.011 0.000 0.208 191 G C -2.395 172.626 174.900 0.201 0.000 1.894 191 G CA -0.095 45.094 45.100 0.149 0.000 0.732 191 G HN 0.827 nan 8.290 nan 0.000 0.802 192 P HA 0.327 nan 4.420 nan 0.000 0.282 192 P C -1.414 176.059 177.300 0.288 0.000 1.259 192 P CA -0.432 62.796 63.100 0.213 0.000 0.826 192 P CB 1.808 33.596 31.700 0.148 0.000 1.064 200 N N 1.400 120.249 118.700 0.250 0.000 2.623 200 N HA -0.040 4.693 4.740 -0.011 0.000 0.271 200 N C -2.383 173.213 175.510 0.143 0.000 1.206 200 N CA 0.386 53.527 53.050 0.153 0.000 0.666 200 N CB -2.514 36.042 38.487 0.115 0.000 0.887 200 N HN 0.272 nan 8.380 nan 0.000 0.554 201 P HA 0.469 nan 4.420 nan 0.000 0.269 201 P C 0.410 177.749 177.300 0.065 0.000 1.217 201 P CA 0.571 63.716 63.100 0.076 0.000 0.783 201 P CB 0.966 32.701 31.700 0.059 0.000 0.898 202 V N -2.389 117.556 119.914 0.051 0.000 2.919 202 V HA 0.733 4.846 4.120 -0.011 0.000 0.316 202 V C -0.153 175.962 176.094 0.035 0.000 1.077 202 V CA -0.938 61.389 62.300 0.045 0.000 0.977 202 V CB 1.569 33.423 31.823 0.051 0.000 1.039 202 V HN 0.648 nan 8.190 nan 0.000 0.441 203 S N 1.806 117.529 115.700 0.038 0.000 2.472 203 S HA 0.802 5.265 4.470 -0.011 0.000 0.303 203 S C -0.783 173.849 174.600 0.053 0.000 1.099 203 S CA -0.686 57.540 58.200 0.043 0.000 1.077 203 S CB 0.749 63.983 63.200 0.057 0.000 1.031 203 S HN 0.724 nan 8.310 nan 0.000 0.487 204 L N 3.974 125.227 121.223 0.049 0.000 2.331 204 L HA 0.573 4.907 4.340 -0.011 0.000 0.275 204 L C -0.442 176.500 176.870 0.121 0.000 1.022 204 L CA -0.799 54.075 54.840 0.055 0.000 0.812 204 L CB 1.381 43.435 42.059 -0.008 0.000 1.257 204 L HN 0.677 nan 8.230 nan 0.000 0.435 205 W N 3.272 124.514 121.300 -0.096 0.000 2.329 205 W HA 0.659 5.312 4.660 -0.012 0.000 0.312 205 W C -1.159 175.282 176.519 -0.130 0.000 1.054 205 W CA -0.887 56.399 57.345 -0.098 0.000 1.245 205 W CB 1.620 31.015 29.460 -0.107 0.000 1.255 205 W HN 0.522 nan 8.180 nan 0.000 0.436 206 A N 5.990 128.463 122.820 -0.577 0.000 2.394 206 A HA 0.236 4.549 4.320 -0.011 0.000 0.333 206 A C -0.920 176.287 177.584 -0.628 0.000 1.397 206 A CA -0.569 51.179 52.037 -0.482 0.000 0.884 206 A CB 0.255 19.103 19.000 -0.252 0.000 1.147 206 A HN 0.565 nan 8.150 nan 0.000 0.505 207 N N 3.986 122.282 118.700 -0.674 0.000 2.518 207 N HA 0.343 5.076 4.740 -0.011 0.000 0.254 207 N C -2.013 173.324 175.510 -0.288 0.000 0.979 207 N CA -2.117 50.588 53.050 -0.576 0.000 0.930 207 N CB 2.075 40.150 38.487 -0.688 0.000 1.152 207 N HN 0.277 nan 8.380 nan 0.000 0.505 208 P HA -0.058 nan 4.420 nan 0.000 0.239 208 P C 0.833 178.170 177.300 0.062 0.000 1.184 208 P CA 0.770 63.880 63.100 0.016 0.000 0.760 208 P CB 0.173 31.899 31.700 0.045 0.000 0.884 209 K N -0.302 120.070 120.400 -0.047 0.000 2.296 209 K HA -0.049 4.264 4.320 -0.011 0.000 0.200 209 K C 0.905 177.699 176.600 0.323 0.000 1.048 209 K CA 0.631 56.953 56.287 0.059 0.000 0.966 209 K CB -1.065 31.407 32.500 -0.047 0.000 0.754 209 K HN 0.354 nan 8.250 nan 0.000 0.466 210 Y N -0.057 120.366 120.300 0.205 0.000 2.328 210 Y HA 0.478 5.022 4.550 -0.011 0.000 0.337 210 Y C -0.341 175.827 175.900 0.446 0.000 1.008 210 Y CA -1.491 56.801 58.100 0.320 0.000 1.129 210 Y CB 1.945 40.609 38.460 0.339 0.000 1.185 210 Y HN -0.159 nan 8.280 nan 0.000 0.476 211 V N 5.250 125.505 119.914 0.569 0.000 2.409 211 V HA 0.267 4.380 4.120 -0.011 0.000 0.291 211 V C 0.686 176.938 176.094 0.263 0.000 1.020 211 V CA -0.708 61.883 62.300 0.486 0.000 0.848 211 V CB 1.503 33.589 31.823 0.438 0.000 0.990 211 V HN 0.873 nan 8.190 nan 0.000 0.430 212 R N 3.332 123.852 120.500 0.033 0.000 2.055 212 R HA 0.222 4.555 4.340 -0.011 0.000 0.228 212 R C 0.660 176.810 176.300 -0.250 0.000 1.143 212 R CA 1.516 57.266 56.100 -0.583 0.000 0.945 212 R CB 0.165 29.732 30.300 -1.221 0.000 0.841 212 R HN 0.802 nan 8.270 nan 0.000 0.429 213 A N -1.006 121.768 122.820 -0.076 0.000 2.469 213 A HA 0.478 4.791 4.320 -0.011 0.000 0.299 213 A C -1.871 175.826 177.584 0.189 0.000 1.098 213 A CA -0.717 51.319 52.037 -0.002 0.000 0.737 213 A CB 1.211 20.137 19.000 -0.122 0.000 1.312 213 A HN 0.393 nan 8.150 nan 0.000 0.414 214 W N 0.921 122.199 121.300 -0.037 0.000 2.950 214 W HA 0.493 5.146 4.660 -0.011 0.000 0.340 214 W C -1.078 175.421 176.519 -0.034 0.000 1.139 214 W CA -0.813 56.554 57.345 0.036 0.000 1.188 214 W CB 1.902 31.414 29.460 0.088 0.000 1.426 214 W HN 0.651 nan 8.180 nan 0.000 0.531 215 K N 1.239 121.501 120.400 -0.230 0.000 2.447 215 K HA 0.332 4.645 4.320 -0.011 0.000 0.281 215 K C 0.723 177.389 176.600 0.110 0.000 1.031 215 K CA 1.812 58.026 56.287 -0.123 0.000 1.019 215 K CB 0.126 32.502 32.500 -0.206 0.000 0.918 215 K HN 0.689 nan 8.250 nan 0.000 0.476 216 G N 1.543 110.384 108.800 0.068 0.000 2.176 216 G HA2 -0.202 3.751 3.960 -0.011 0.000 0.232 216 G HA3 -0.202 3.751 3.960 -0.011 0.000 0.232 216 G C 0.567 175.522 174.900 0.092 0.000 0.986 216 G CA -0.092 45.063 45.100 0.092 0.000 0.643 216 G HN 0.884 nan 8.290 nan 0.000 0.522 217 G N -0.857 108.002 108.800 0.097 0.000 2.695 217 G HA2 0.617 4.570 3.960 -0.011 0.000 0.213 217 G HA3 0.617 4.570 3.960 -0.011 0.000 0.213 217 G C 0.931 175.845 174.900 0.023 0.000 1.406 217 G CA 1.122 46.265 45.100 0.073 0.000 1.049 217 G HN 1.166 nan 8.290 nan 0.000 0.573 218 T N -3.493 111.065 114.554 0.006 0.000 3.200 218 T HA 0.304 4.647 4.350 -0.011 0.000 0.284 218 T C 1.824 176.505 174.700 -0.033 0.000 1.009 218 T CA 0.818 62.912 62.100 -0.009 0.000 0.907 218 T CB 0.738 69.608 68.868 0.003 0.000 1.120 218 T HN 0.649 nan 8.240 nan 0.000 0.534 219 G N 2.840 111.605 108.800 -0.058 0.000 2.501 219 G HA2 -0.179 3.774 3.960 -0.011 0.000 0.220 219 G HA3 -0.179 3.774 3.960 -0.011 0.000 0.220 219 G C 1.127 175.976 174.900 -0.085 0.000 1.114 219 G CA 0.986 46.023 45.100 -0.104 0.000 0.757 219 G HN 0.710 nan 8.290 nan 0.000 0.559 220 D N -0.825 119.539 120.400 -0.061 0.000 2.325 220 D HA 0.122 4.755 4.640 -0.011 0.000 0.225 220 D C 0.415 176.695 176.300 -0.034 0.000 1.096 220 D CA -0.417 53.552 54.000 -0.051 0.000 0.844 220 D CB -0.634 40.136 40.800 -0.051 0.000 0.925 220 D HN 0.133 nan 8.370 nan 0.000 0.513 221 C N -0.065 119.221 119.300 -0.024 0.000 2.779 221 C HA 0.444 4.898 4.460 -0.011 0.000 0.314 221 C C 0.461 175.449 174.990 -0.003 0.000 1.231 221 C CA -1.004 58.003 59.018 -0.019 0.000 1.652 221 C CB 2.117 29.850 27.740 -0.012 0.000 2.198 221 C HN 0.068 nan 8.230 nan 0.000 0.483 222 K N 1.644 122.001 120.400 -0.073 0.000 3.001 222 K HA 0.347 4.660 4.320 -0.011 0.000 0.257 222 K C -0.525 175.981 176.600 -0.156 0.000 1.290 222 K CA 0.165 56.329 56.287 -0.205 0.000 1.252 222 K CB -0.040 32.126 32.500 -0.556 0.000 1.656 222 K HN 0.602 nan 8.250 nan 0.000 0.351 223 M N -0.293 119.378 119.600 0.118 0.000 2.209 223 M HA 0.146 4.619 4.480 -0.011 0.000 0.355 223 M C 1.539 178.078 176.300 0.397 0.000 1.171 223 M CA -0.236 55.172 55.300 0.180 0.000 1.069 223 M CB 1.606 34.273 32.600 0.112 0.000 1.622 223 M HN 0.429 nan 8.290 nan 0.000 0.459 224 G N 2.053 111.081 108.800 0.381 0.000 2.503 224 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.221 224 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.221 224 G C 1.323 176.466 174.900 0.404 0.000 1.131 224 G CA 1.181 46.533 45.100 0.421 0.000 0.756 224 G HN 0.993 nan 8.290 nan 0.000 0.572 225 G N 0.919 109.871 108.800 0.254 0.000 2.499 225 G HA2 -0.248 3.705 3.960 -0.011 0.000 0.221 225 G HA3 -0.248 3.705 3.960 -0.011 0.000 0.221 225 G C 1.508 176.478 174.900 0.117 0.000 1.109 225 G CA 1.057 46.254 45.100 0.162 0.000 0.749 225 G HN 0.506 nan 8.290 nan 0.000 0.568 226 N N -0.583 118.185 118.700 0.114 0.000 2.398 226 N HA 0.060 4.793 4.740 -0.011 0.000 0.188 226 N C 0.812 176.075 175.510 -0.411 0.000 1.122 226 N CA 0.448 53.384 53.050 -0.189 0.000 0.866 226 N CB 0.009 38.285 38.487 -0.351 0.000 0.970 226 N HN 0.486 nan 8.380 nan 0.000 0.462 227 Y N -0.188 120.161 120.300 0.080 0.000 2.607 227 Y HA 0.329 4.871 4.550 -0.012 0.000 0.276 227 Y C 2.447 178.404 175.900 0.096 0.000 1.117 227 Y CA 0.035 58.196 58.100 0.102 0.000 1.273 227 Y CB -0.550 38.007 38.460 0.162 0.000 1.282 227 Y HN -0.021 nan 8.280 nan 0.000 0.514 228 G N 0.192 109.125 108.800 0.222 0.000 2.442 228 G HA2 -0.263 3.690 3.960 -0.011 0.000 0.219 228 G HA3 -0.263 3.690 3.960 -0.011 0.000 0.219 228 G C 1.638 176.607 174.900 0.115 0.000 1.141 228 G CA 1.421 46.611 45.100 0.150 0.000 0.763 228 G HN 0.435 nan 8.290 nan 0.000 0.554 229 S N 0.680 116.428 115.700 0.080 0.000 2.603 229 S HA 0.003 4.466 4.470 -0.011 0.000 0.229 229 S C 2.074 176.739 174.600 0.108 0.000 0.972 229 S CA 1.218 59.452 58.200 0.056 0.000 0.935 229 S CB -0.045 63.161 63.200 0.010 0.000 0.769 229 S HN 0.536 nan 8.310 nan 0.000 0.536 230 S N 0.542 116.340 115.700 0.163 0.000 2.517 230 S HA 0.243 4.706 4.470 -0.011 0.000 0.214 230 S C 1.397 176.186 174.600 0.314 0.000 0.991 230 S CA -0.247 58.153 58.200 0.334 0.000 0.906 230 S CB -0.468 62.955 63.200 0.372 0.000 0.789 230 S HN 0.288 nan 8.310 nan 0.000 0.513 231 L N 0.852 122.211 121.223 0.226 0.000 2.079 231 L HA 0.127 4.460 4.340 -0.011 0.000 0.210 231 L C 2.102 179.075 176.870 0.171 0.000 1.081 231 L CA 1.448 56.398 54.840 0.183 0.000 0.752 231 L CB -1.281 40.868 42.059 0.150 0.000 0.896 231 L HN 0.397 nan 8.230 nan 0.000 0.433 232 F N 0.210 120.174 119.950 0.023 0.000 2.134 232 F HA -0.195 4.326 4.527 -0.011 0.000 0.299 232 F C 2.364 178.166 175.800 0.004 0.000 1.097 232 F CA 1.210 59.197 58.000 -0.022 0.000 1.264 232 F CB -0.362 38.575 39.000 -0.104 0.000 1.001 232 F HN 0.043 nan 8.300 nan 0.000 0.479 233 A N -0.344 122.555 122.820 0.130 0.000 1.902 233 A HA -0.254 4.060 4.320 -0.011 0.000 0.217 233 A C 2.079 179.723 177.584 0.100 0.000 1.181 233 A CA 1.758 53.922 52.037 0.212 0.000 0.623 233 A CB -0.990 18.189 19.000 0.299 0.000 0.818 233 A HN 0.489 nan 8.150 nan 0.000 0.443 234 Q N -0.267 119.589 119.800 0.093 0.000 2.124 234 Q HA -0.156 4.177 4.340 -0.011 0.000 0.202 234 Q C 1.946 177.905 176.000 -0.069 0.000 0.977 234 Q CA 2.325 58.150 55.803 0.038 0.000 0.850 234 Q CB -1.059 27.736 28.738 0.096 0.000 0.901 234 Q HN 0.623 nan 8.270 nan 0.000 0.429 235 C N 0.397 119.632 119.300 -0.109 0.000 2.453 235 C HA -0.085 4.369 4.460 -0.011 0.000 0.277 235 C C 2.504 177.320 174.990 -0.290 0.000 1.262 235 C CA 1.056 59.963 59.018 -0.185 0.000 1.718 235 C CB -0.915 26.699 27.740 -0.210 0.000 2.031 235 C HN 0.740 nan 8.230 nan 0.000 0.480 236 E N 0.935 120.915 120.200 -0.366 0.000 2.153 236 E HA -0.179 4.164 4.350 -0.011 0.000 0.194 236 E C 2.121 178.281 176.600 -0.734 0.000 0.988 236 E CA 1.263 57.374 56.400 -0.480 0.000 0.811 236 E CB -0.126 29.392 29.700 -0.303 0.000 0.746 236 E HN 0.601 nan 8.360 nan 0.000 0.466 237 A N 0.936 123.419 122.820 -0.562 0.000 1.858 237 A HA -0.162 4.151 4.320 -0.011 0.000 0.216 237 A C 2.465 179.822 177.584 -0.378 0.000 1.190 237 A CA 1.843 53.559 52.037 -0.534 0.000 0.617 237 A CB -1.096 17.822 19.000 -0.135 0.000 0.827 237 A HN 0.366 nan 8.150 nan 0.000 0.443 238 V N -1.853 117.910 119.914 -0.252 0.000 2.759 238 V HA -0.164 3.949 4.120 -0.011 0.000 0.256 238 V C 1.509 177.472 176.094 -0.218 0.000 1.080 238 V CA 2.617 64.807 62.300 -0.184 0.000 1.101 238 V CB -0.928 30.817 31.823 -0.130 0.000 0.698 238 V HN 0.372 nan 8.190 nan 0.000 0.477 239 D N 1.113 121.330 120.400 -0.305 0.000 2.312 239 D HA -0.025 4.608 4.640 -0.011 0.000 0.211 239 D C 1.392 177.501 176.300 -0.319 0.000 0.964 239 D CA 1.005 54.829 54.000 -0.293 0.000 0.877 239 D CB -0.200 40.398 40.800 -0.335 0.000 0.924 239 D HN 0.582 nan 8.370 nan 0.000 0.515 240 N N -0.834 117.618 118.700 -0.413 0.000 2.351 240 N HA 0.180 4.913 4.740 -0.011 0.000 0.254 240 N C 0.767 176.181 175.510 -0.159 0.000 1.241 240 N CA 0.372 53.217 53.050 -0.341 0.000 0.883 240 N CB 1.570 39.671 38.487 -0.644 0.000 1.202 240 N HN 0.107 nan 8.380 nan 0.000 0.512 241 G N 0.628 109.349 108.800 -0.131 0.000 2.184 241 G HA2 -0.290 3.663 3.960 -0.011 0.000 0.264 241 G HA3 -0.290 3.663 3.960 -0.011 0.000 0.264 241 G C 0.301 175.182 174.900 -0.031 0.000 0.975 241 G CA 0.199 45.263 45.100 -0.060 0.000 0.642 241 G HN 0.415 nan 8.290 nan 0.000 0.536 242 C N 0.023 119.295 119.300 -0.045 0.000 2.405 242 C HA 0.621 5.074 4.460 -0.011 0.000 0.365 242 C C 1.552 176.530 174.990 -0.019 0.000 1.233 242 C CA -0.263 58.760 59.018 0.007 0.000 2.230 242 C CB 1.567 29.358 27.740 0.085 0.000 2.443 242 C HN 0.548 nan 8.230 nan 0.000 0.556 243 Q N 0.048 119.849 119.800 0.002 0.000 2.402 243 Q HA 0.175 4.509 4.340 -0.011 0.000 0.206 243 Q C 0.551 176.547 176.000 -0.006 0.000 0.919 243 Q CA 1.028 56.823 55.803 -0.013 0.000 0.923 243 Q CB 0.102 28.837 28.738 -0.005 0.000 1.048 243 Q HN 0.640 nan 8.270 nan 0.000 0.515 244 Q N -1.181 118.632 119.800 0.022 0.000 2.626 244 Q HA 0.470 4.803 4.340 -0.011 0.000 0.300 244 Q C -1.211 174.806 176.000 0.028 0.000 0.988 244 Q CA -0.745 55.081 55.803 0.037 0.000 0.761 244 Q CB 2.253 31.028 28.738 0.061 0.000 1.494 244 Q HN -0.094 nan 8.270 nan 0.000 0.439 245 V N 1.791 121.687 119.914 -0.030 0.000 2.435 245 V HA 0.328 4.441 4.120 -0.011 0.000 0.290 245 V C -0.465 175.418 176.094 -0.351 0.000 1.030 245 V CA -0.721 61.441 62.300 -0.229 0.000 0.881 245 V CB 1.477 32.972 31.823 -0.547 0.000 0.983 245 V HN 0.540 nan 8.190 nan 0.000 0.445 246 L N 5.920 126.959 121.223 -0.307 0.000 2.259 246 L HA 0.490 4.823 4.340 -0.011 0.000 0.288 246 L C -0.778 175.942 176.870 -0.249 0.000 1.051 246 L CA -0.272 54.444 54.840 -0.206 0.000 0.824 246 L CB 0.321 42.288 42.059 -0.152 0.000 1.206 246 L HN 0.634 nan 8.230 nan 0.000 0.429 247 W N 6.722 128.051 121.300 0.048 0.000 2.419 247 W HA 0.405 5.058 4.660 -0.011 0.000 0.312 247 W C -0.378 176.179 176.519 0.063 0.000 1.323 247 W CA -0.345 57.045 57.345 0.074 0.000 1.293 247 W CB 0.266 29.773 29.460 0.078 0.000 1.324 247 W HN 0.341 nan 8.180 nan 0.000 0.512 248 L N 4.243 125.645 121.223 0.298 0.000 2.334 248 L HA 0.560 4.893 4.340 -0.011 0.000 0.275 248 L C -0.713 176.350 176.870 0.322 0.000 1.036 248 L CA -1.413 53.563 54.840 0.228 0.000 0.807 248 L CB 0.991 43.130 42.059 0.132 0.000 1.231 248 L HN 0.344 nan 8.230 nan 0.000 0.438 249 Y N 1.143 121.509 120.300 0.110 0.000 2.457 249 Y HA 0.643 5.186 4.550 -0.012 0.000 0.343 249 Y C 0.229 176.104 175.900 -0.042 0.000 0.994 249 Y CA 0.038 58.168 58.100 0.050 0.000 1.031 249 Y CB 2.006 40.452 38.460 -0.024 0.000 1.246 249 Y HN 0.803 nan 8.280 nan 0.000 0.449 250 G N 4.340 112.552 108.800 -0.979 0.000 2.829 250 G HA2 -0.215 3.738 3.960 -0.011 0.000 0.628 250 G HA3 -0.215 3.738 3.960 -0.011 0.000 0.628 250 G C 0.278 174.911 174.900 -0.444 0.000 1.412 250 G CA -0.072 44.541 45.100 -0.811 0.000 0.864 250 G HN 0.671 nan 8.290 nan 0.000 0.544 251 E N 0.436 120.403 120.200 -0.388 0.000 2.160 251 E HA -0.134 4.209 4.350 -0.011 0.000 0.195 251 E C 1.976 178.234 176.600 -0.570 0.000 0.991 251 E CA 1.908 58.079 56.400 -0.381 0.000 0.810 251 E CB -0.210 29.352 29.700 -0.231 0.000 0.742 251 E HN 0.742 nan 8.360 nan 0.000 0.466 252 D N -0.767 119.386 120.400 -0.413 0.000 2.328 252 D HA -0.087 4.546 4.640 -0.011 0.000 0.226 252 D C -0.232 175.936 176.300 -0.220 0.000 1.066 252 D CA -0.165 53.654 54.000 -0.302 0.000 0.861 252 D CB -0.555 40.149 40.800 -0.160 0.000 0.912 252 D HN 0.077 nan 8.370 nan 0.000 0.521 253 H N 0.230 119.272 119.070 -0.046 0.000 2.592 253 H HA -0.172 4.377 4.556 -0.012 0.000 0.323 253 H C -0.468 174.842 175.328 -0.029 0.000 1.117 253 H CA 0.637 56.670 56.048 -0.024 0.000 1.120 253 H CB -2.411 27.354 29.762 0.004 0.000 1.561 253 H HN 0.502 nan 8.280 nan 0.000 0.409 254 Q N 0.417 120.258 119.800 0.070 0.000 2.364 254 Q HA 0.344 4.678 4.340 -0.011 0.000 0.267 254 Q C 1.039 177.083 176.000 0.074 0.000 0.999 254 Q CA -0.041 55.804 55.803 0.070 0.000 0.886 254 Q CB 1.066 29.860 28.738 0.094 0.000 1.243 254 Q HN 0.403 nan 8.270 nan 0.000 0.415 255 I N 2.204 122.783 120.570 0.015 0.000 2.352 255 I HA 0.020 4.183 4.170 -0.011 0.000 0.290 255 I C 1.269 177.390 176.117 0.007 0.000 1.036 255 I CA 0.045 61.336 61.300 -0.016 0.000 1.336 255 I CB 1.042 38.983 38.000 -0.098 0.000 1.407 255 I HN 0.869 nan 8.210 nan 0.000 0.497 256 T N 2.258 116.846 114.554 0.056 0.000 3.156 256 T HA 0.304 4.647 4.350 -0.011 0.000 0.236 256 T C 0.584 175.294 174.700 0.016 0.000 0.978 256 T CA -0.011 62.109 62.100 0.033 0.000 1.240 256 T CB 0.388 69.290 68.868 0.057 0.000 0.951 256 T HN 0.507 nan 8.240 nan 0.000 0.420 257 E N 0.010 120.284 120.200 0.123 0.000 2.393 257 E HA 0.592 4.935 4.350 -0.011 0.000 0.273 257 E C -1.759 174.987 176.600 0.242 0.000 0.918 257 E CA -0.967 55.517 56.400 0.139 0.000 0.773 257 E CB 3.155 32.932 29.700 0.128 0.000 1.275 257 E HN 0.073 nan 8.360 nan 0.000 0.451 258 V N 2.756 122.780 119.914 0.185 0.000 2.288 258 V HA 0.357 4.470 4.120 -0.011 0.000 0.266 258 V C 0.873 177.123 176.094 0.260 0.000 1.048 258 V CA 0.577 62.979 62.300 0.171 0.000 0.842 258 V CB -0.236 31.652 31.823 0.108 0.000 1.064 258 V HN 1.010 nan 8.190 nan 0.000 0.472 259 G N 5.316 114.332 108.800 0.360 0.000 2.596 259 G HA2 -0.367 3.586 3.960 -0.011 0.000 0.304 259 G HA3 -0.367 3.586 3.960 -0.011 0.000 0.304 259 G C 0.884 176.060 174.900 0.461 0.000 1.189 259 G CA 0.740 46.113 45.100 0.454 0.000 0.986 259 G HN 1.250 nan 8.290 nan 0.000 0.548 260 T N -1.321 113.452 114.554 0.365 0.000 3.273 260 T HA 0.687 5.030 4.350 -0.011 0.000 0.254 260 T C 0.558 175.404 174.700 0.242 0.000 1.002 260 T CA 0.705 63.003 62.100 0.330 0.000 0.913 260 T CB -0.258 68.838 68.868 0.380 0.000 1.056 260 T HN 0.547 nan 8.240 nan 0.000 0.576 261 M N 1.325 121.056 119.600 0.217 0.000 2.572 261 M HA 0.447 4.920 4.480 -0.011 0.000 0.299 261 M C -0.596 175.775 176.300 0.118 0.000 1.205 261 M CA -0.944 54.458 55.300 0.170 0.000 0.876 261 M CB 1.973 34.687 32.600 0.190 0.000 1.728 261 M HN -0.073 nan 8.290 nan 0.000 0.458 262 N N 1.786 120.534 118.700 0.081 0.000 2.525 262 N HA 0.382 5.115 4.740 -0.011 0.000 0.271 262 N C -1.276 174.170 175.510 -0.108 0.000 1.194 262 N CA -0.204 52.815 53.050 -0.051 0.000 0.964 262 N CB 1.328 39.751 38.487 -0.107 0.000 1.126 262 N HN 0.563 nan 8.380 nan 0.000 0.452 263 L N 1.985 123.046 121.223 -0.270 0.000 2.295 263 L HA 0.525 4.858 4.340 -0.011 0.000 0.285 263 L C -1.331 175.184 176.870 -0.591 0.000 1.035 263 L CA -0.522 54.142 54.840 -0.292 0.000 0.806 263 L CB 0.387 42.333 42.059 -0.190 0.000 1.214 263 L HN 0.320 nan 8.230 nan 0.000 0.426 264 F N 5.196 124.883 119.950 -0.437 0.000 2.520 264 F HA 0.543 5.063 4.527 -0.011 0.000 0.322 264 F C -0.604 174.825 175.800 -0.618 0.000 1.103 264 F CA -0.662 56.985 58.000 -0.588 0.000 0.926 264 F CB 2.067 40.499 39.000 -0.947 0.000 1.154 264 F HN 0.282 nan 8.300 nan 0.000 0.453 265 L N 4.746 125.811 121.223 -0.264 0.000 2.343 265 L HA 0.401 4.734 4.340 -0.011 0.000 0.278 265 L C -1.814 174.978 176.870 -0.130 0.000 0.996 265 L CA -0.687 53.967 54.840 -0.311 0.000 0.831 265 L CB 0.976 42.695 42.059 -0.566 0.000 1.232 265 L HN 0.640 nan 8.230 nan 0.000 0.413 266 Y N 6.986 127.199 120.300 -0.145 0.000 2.504 266 Y HA 0.538 5.081 4.550 -0.011 0.000 0.339 266 Y C -1.121 174.854 175.900 0.126 0.000 0.974 266 Y CA -0.769 57.325 58.100 -0.008 0.000 1.232 266 Y CB 0.415 38.879 38.460 0.007 0.000 1.108 266 Y HN 0.798 nan 8.280 nan 0.000 0.509 267 W N 5.564 126.800 121.300 -0.107 0.000 3.307 267 W HA 0.567 5.220 4.660 -0.011 0.000 0.376 267 W C -2.628 173.789 176.519 -0.170 0.000 1.113 267 W CA -2.053 55.173 57.345 -0.198 0.000 1.087 267 W CB -0.016 29.393 29.460 -0.085 0.000 1.511 267 W HN 0.174 nan 8.180 nan 0.000 0.604 268 I N 2.949 123.399 120.570 -0.200 0.000 2.328 268 I HA 0.178 4.341 4.170 -0.011 0.000 0.287 268 I C 0.757 176.341 176.117 -0.889 0.000 1.012 268 I CA -0.835 60.239 61.300 -0.377 0.000 1.195 268 I CB 0.370 38.228 38.000 -0.237 0.000 1.350 268 I HN 0.455 nan 8.210 nan 0.000 0.464 269 N N 4.193 122.341 118.700 -0.919 0.000 2.263 269 N HA 0.017 4.750 4.740 -0.011 0.000 0.239 269 N C 0.363 175.481 175.510 -0.654 0.000 1.317 269 N CA -0.461 51.938 53.050 -1.085 0.000 0.909 269 N CB 0.612 38.846 38.487 -0.422 0.000 1.171 269 N HN 0.429 nan 8.380 nan 0.000 0.492 270 E N -0.816 119.095 120.200 -0.482 0.000 2.331 270 E HA -0.143 4.200 4.350 -0.011 0.000 0.199 270 E C -0.032 176.466 176.600 -0.170 0.000 1.008 270 E CA 1.072 57.314 56.400 -0.264 0.000 0.843 270 E CB -0.085 29.532 29.700 -0.139 0.000 0.761 270 E HN 0.498 nan 8.360 nan 0.000 0.507 271 D N -0.912 119.395 120.400 -0.155 0.000 2.358 271 D HA 0.162 4.795 4.640 -0.011 0.000 0.224 271 D C 0.750 176.994 176.300 -0.093 0.000 1.123 271 D CA 0.547 54.492 54.000 -0.092 0.000 0.833 271 D CB 0.387 41.156 40.800 -0.052 0.000 0.946 271 D HN 0.203 nan 8.370 nan 0.000 0.505 272 G N 1.295 110.012 108.800 -0.139 0.000 2.179 272 G HA2 -0.303 3.650 3.960 -0.011 0.000 0.257 272 G HA3 -0.303 3.650 3.960 -0.011 0.000 0.257 272 G C -0.083 174.765 174.900 -0.088 0.000 1.010 272 G CA 0.044 45.074 45.100 -0.116 0.000 0.736 272 G HN 0.418 nan 8.290 nan 0.000 0.513 273 E N 0.010 120.154 120.200 -0.094 0.000 2.179 273 E HA 0.472 4.815 4.350 -0.011 0.000 0.275 273 E C -0.025 176.565 176.600 -0.016 0.000 0.945 273 E CA -0.887 55.498 56.400 -0.025 0.000 0.792 273 E CB 1.735 31.445 29.700 0.017 0.000 1.125 273 E HN 0.373 nan 8.360 nan 0.000 0.397 274 E N 2.350 122.583 120.200 0.056 0.000 2.417 274 E HA -0.069 4.274 4.350 -0.011 0.000 0.261 274 E C -0.735 176.004 176.600 0.232 0.000 1.000 274 E CA 0.563 57.023 56.400 0.100 0.000 0.919 274 E CB 0.582 30.389 29.700 0.177 0.000 0.955 274 E HN 0.426 nan 8.360 nan 0.000 0.455 275 E N 4.293 124.659 120.200 0.277 0.000 2.331 275 E HA 0.258 4.601 4.350 -0.011 0.000 0.275 275 E C -1.712 175.192 176.600 0.506 0.000 0.895 275 E CA -0.796 55.855 56.400 0.418 0.000 0.753 275 E CB 1.179 31.119 29.700 0.399 0.000 1.216 275 E HN 0.371 nan 8.360 nan 0.000 0.434 276 L N 3.843 125.316 121.223 0.416 0.000 2.337 276 L HA 0.704 5.037 4.340 -0.011 0.000 0.269 276 L C -1.233 175.795 176.870 0.264 0.000 1.018 276 L CA -0.081 54.938 54.840 0.299 0.000 0.876 276 L CB 0.392 42.637 42.059 0.309 0.000 1.236 276 L HN 0.700 nan 8.230 nan 0.000 0.436 277 A N 3.391 126.315 122.820 0.174 0.000 2.311 277 A HA 0.844 5.158 4.320 -0.011 0.000 0.334 277 A C -0.434 177.125 177.584 -0.042 0.000 1.139 277 A CA -0.480 51.602 52.037 0.075 0.000 0.830 277 A CB 1.818 20.841 19.000 0.038 0.000 1.234 277 A HN 0.627 nan 8.150 nan 0.000 0.483 278 T N 0.828 115.307 114.554 -0.125 0.000 3.159 278 T HA 0.555 4.898 4.350 -0.011 0.000 0.343 278 T C -3.145 171.409 174.700 -0.243 0.000 1.364 278 T CA -0.876 61.027 62.100 -0.327 0.000 1.102 278 T CB 1.441 69.930 68.868 -0.630 0.000 1.263 278 T HN 0.325 nan 8.240 nan 0.000 0.477 279 P HA 0.163 nan 4.420 nan 0.000 0.265 279 P C -2.444 174.745 177.300 -0.184 0.000 1.187 279 P CA -0.635 62.365 63.100 -0.166 0.000 0.766 279 P CB 0.017 31.651 31.700 -0.111 0.000 0.820 280 P HA 0.088 nan 4.420 nan 0.000 0.274 280 P C -0.440 176.782 177.300 -0.130 0.000 1.237 280 P CA -0.028 62.952 63.100 -0.201 0.000 0.793 280 P CB 0.709 32.209 31.700 -0.332 0.000 0.977 281 L N 2.343 123.506 121.223 -0.100 0.000 2.384 281 L HA 0.096 4.429 4.340 -0.011 0.000 0.258 281 L C 0.970 177.800 176.870 -0.067 0.000 1.266 281 L CA 0.149 54.943 54.840 -0.077 0.000 1.162 281 L CB -0.830 41.194 42.059 -0.060 0.000 1.375 281 L HN 0.405 nan 8.230 nan 0.000 0.420 282 D N -0.022 120.341 120.400 -0.063 0.000 2.463 282 D HA 0.177 4.810 4.640 -0.011 0.000 0.224 282 D C 1.188 177.440 176.300 -0.081 0.000 1.174 282 D CA 0.352 54.326 54.000 -0.043 0.000 0.829 282 D CB 0.990 41.810 40.800 0.032 0.000 0.993 282 D HN 0.503 nan 8.370 nan 0.000 0.497 283 G N 1.475 110.219 108.800 -0.093 0.000 2.339 283 G HA2 -0.275 3.678 3.960 -0.011 0.000 0.209 283 G HA3 -0.275 3.678 3.960 -0.011 0.000 0.209 283 G C 0.871 175.689 174.900 -0.136 0.000 1.015 283 G CA 0.033 45.071 45.100 -0.104 0.000 0.635 283 G HN 0.520 nan 8.290 nan 0.000 0.499 284 I N -0.838 119.613 120.570 -0.198 0.000 3.883 284 I HA 0.633 4.796 4.170 -0.011 0.000 0.326 284 I C 0.114 176.129 176.117 -0.170 0.000 1.283 284 I CA -0.225 60.938 61.300 -0.228 0.000 1.161 284 I CB 0.234 37.984 38.000 -0.417 0.000 1.012 284 I HN 0.009 nan 8.210 nan 0.000 0.421 285 I N 1.939 122.431 120.570 -0.131 0.000 2.406 285 I HA 0.342 4.505 4.170 -0.011 0.000 0.290 285 I C -0.463 175.605 176.117 -0.082 0.000 0.999 285 I CA -0.640 60.597 61.300 -0.105 0.000 1.124 285 I CB 1.944 39.882 38.000 -0.104 0.000 1.289 285 I HN 0.113 nan 8.210 nan 0.000 0.441 286 L N 9.229 130.413 121.223 -0.065 0.000 2.361 286 L HA 0.434 4.767 4.340 -0.011 0.000 0.278 286 L C -1.944 174.908 176.870 -0.030 0.000 1.113 286 L CA -1.279 53.538 54.840 -0.038 0.000 0.849 286 L CB 0.670 42.725 42.059 -0.007 0.000 1.155 286 L HN 0.412 nan 8.230 nan 0.000 0.452 287 P HA 0.100 nan 4.420 nan 0.000 0.268 287 P C -0.018 177.278 177.300 -0.006 0.000 1.485 287 P CA -0.132 62.954 63.100 -0.023 0.000 1.102 287 P CB 0.283 31.966 31.700 -0.027 0.000 1.501 288 G N 2.131 110.939 108.800 0.014 0.000 2.527 288 G HA2 0.194 4.147 3.960 -0.011 0.000 0.248 288 G HA3 0.194 4.147 3.960 -0.011 0.000 0.248 288 G C 1.158 176.079 174.900 0.036 0.000 1.231 288 G CA -0.599 44.525 45.100 0.040 0.000 0.838 288 G HN 0.214 nan 8.290 nan 0.000 0.570 289 V N 1.499 121.432 119.914 0.032 0.000 2.548 289 V HA -0.130 3.983 4.120 -0.011 0.000 0.249 289 V C 2.937 179.049 176.094 0.029 0.000 1.055 289 V CA 2.285 64.585 62.300 -0.000 0.000 1.065 289 V CB -0.619 31.212 31.823 0.014 0.000 0.681 289 V HN 0.786 nan 8.190 nan 0.000 0.462 290 T N -0.380 114.234 114.554 0.100 0.000 2.942 290 T HA -0.135 4.208 4.350 -0.011 0.000 0.265 290 T C 2.005 176.798 174.700 0.156 0.000 1.062 290 T CA 1.248 63.422 62.100 0.124 0.000 1.139 290 T CB -0.171 68.788 68.868 0.151 0.000 0.883 290 T HN 0.419 nan 8.240 nan 0.000 0.468 291 R N 1.077 121.707 120.500 0.217 0.000 2.073 291 R HA -0.100 4.233 4.340 -0.011 0.000 0.234 291 R C 2.538 178.979 176.300 0.235 0.000 1.134 291 R CA 1.453 57.772 56.100 0.365 0.000 0.952 291 R CB -0.116 30.303 30.300 0.199 0.000 0.850 291 R HN 0.110 nan 8.270 nan 0.000 0.433 292 R N 0.504 121.055 120.500 0.085 0.000 2.070 292 R HA -0.109 4.224 4.340 -0.011 0.000 0.233 292 R C 2.234 178.523 176.300 -0.019 0.000 1.137 292 R CA 2.352 58.463 56.100 0.018 0.000 0.945 292 R CB -1.098 29.166 30.300 -0.061 0.000 0.845 292 R HN 0.362 nan 8.270 nan 0.000 0.430 293 C N 0.055 119.276 119.300 -0.131 0.000 2.413 293 C HA -0.065 4.388 4.460 -0.011 0.000 0.276 293 C C 2.611 177.618 174.990 0.029 0.000 1.236 293 C CA 0.927 59.815 59.018 -0.216 0.000 1.735 293 C CB -1.021 26.488 27.740 -0.384 0.000 2.031 293 C HN 0.548 nan 8.230 nan 0.000 0.474 294 I N 0.463 121.027 120.570 -0.010 0.000 2.208 294 I HA -0.237 3.926 4.170 -0.011 0.000 0.245 294 I C 2.408 178.438 176.117 -0.144 0.000 1.097 294 I CA 1.598 62.827 61.300 -0.120 0.000 1.363 294 I CB -0.441 37.357 38.000 -0.337 0.000 1.051 294 I HN 0.366 nan 8.210 nan 0.000 0.413 295 L N 0.116 121.325 121.223 -0.022 0.000 2.093 295 L HA -0.216 4.117 4.340 -0.011 0.000 0.208 295 L C 2.085 178.922 176.870 -0.054 0.000 1.085 295 L CA 1.171 55.987 54.840 -0.039 0.000 0.755 295 L CB -0.559 41.559 42.059 0.099 0.000 0.904 295 L HN 0.234 nan 8.230 nan 0.000 0.435 296 D N -0.049 120.385 120.400 0.056 0.000 2.117 296 D HA -0.120 4.514 4.640 -0.011 0.000 0.198 296 D C 2.391 178.645 176.300 -0.076 0.000 0.982 296 D CA 1.077 55.147 54.000 0.116 0.000 0.828 296 D CB -0.086 40.886 40.800 0.287 0.000 0.967 296 D HN 0.230 nan 8.370 nan 0.000 0.464 297 L N 0.538 121.637 121.223 -0.207 0.000 2.093 297 L HA -0.095 4.238 4.340 -0.011 0.000 0.208 297 L C 2.462 178.602 176.870 -1.218 0.000 1.085 297 L CA 1.005 55.407 54.840 -0.730 0.000 0.755 297 L CB -0.394 41.220 42.059 -0.742 0.000 0.904 297 L HN -0.021 nan 8.230 nan 0.000 0.435 298 A N -0.949 121.405 122.820 -0.776 0.000 1.933 298 A HA -0.216 4.097 4.320 -0.011 0.000 0.218 298 A C 2.111 179.436 177.584 -0.432 0.000 1.175 298 A CA 1.349 53.046 52.037 -0.568 0.000 0.628 298 A CB -0.625 18.202 19.000 -0.288 0.000 0.814 298 A HN 0.396 nan 8.150 nan 0.000 0.444 299 H N -0.775 118.145 119.070 -0.250 0.000 2.333 299 H HA -0.096 4.453 4.556 -0.012 0.000 0.302 299 H C 2.232 177.461 175.328 -0.165 0.000 1.075 299 H CA 1.643 57.598 56.048 -0.155 0.000 1.348 299 H CB -0.443 29.266 29.762 -0.087 0.000 1.393 299 H HN 0.783 nan 8.280 nan 0.000 0.509 300 Q N 0.373 120.111 119.800 -0.104 0.000 2.014 300 Q HA -0.192 4.141 4.340 -0.011 0.000 0.207 300 Q C 1.988 177.974 176.000 -0.023 0.000 0.993 300 Q CA 1.865 57.600 55.803 -0.113 0.000 0.850 300 Q CB -0.157 28.450 28.738 -0.219 0.000 0.916 300 Q HN 0.385 nan 8.270 nan 0.000 0.417 301 W N -0.071 121.176 121.300 -0.088 0.000 2.342 301 W HA 0.025 4.679 4.660 -0.011 0.000 0.297 301 W C 1.525 177.955 176.519 -0.148 0.000 1.213 301 W CA 1.448 58.719 57.345 -0.124 0.000 1.251 301 W CB -1.304 28.051 29.460 -0.175 0.000 1.136 301 W HN 0.553 nan 8.180 nan 0.000 0.526 302 G N 0.793 109.604 108.800 0.018 0.000 2.323 302 G HA2 -0.349 3.604 3.960 -0.011 0.000 0.292 302 G HA3 -0.349 3.604 3.960 -0.011 0.000 0.292 302 G C 0.710 175.574 174.900 -0.059 0.000 1.040 302 G CA 0.708 45.787 45.100 -0.035 0.000 0.942 302 G HN 0.436 nan 8.290 nan 0.000 0.506 303 E N -1.525 118.558 120.200 -0.195 0.000 2.415 303 E HA 0.373 4.716 4.350 -0.011 0.000 0.197 303 E C 0.633 177.271 176.600 0.064 0.000 1.007 303 E CA 0.669 57.026 56.400 -0.072 0.000 0.890 303 E CB 0.284 29.987 29.700 0.006 0.000 0.891 303 E HN 0.816 nan 8.360 nan 0.000 0.496 304 F N -1.684 118.363 119.950 0.161 0.000 2.817 304 F HA 0.426 4.946 4.527 -0.012 0.000 0.317 304 F C -0.821 175.068 175.800 0.149 0.000 1.168 304 F CA -1.702 56.397 58.000 0.164 0.000 0.911 304 F CB 0.757 39.894 39.000 0.228 0.000 1.337 304 F HN -0.466 nan 8.300 nan 0.000 0.464 305 K N 1.152 121.808 120.400 0.427 0.000 2.401 305 K HA 0.560 4.873 4.320 -0.011 0.000 0.278 305 K C -1.413 175.401 176.600 0.358 0.000 1.018 305 K CA -0.298 56.170 56.287 0.302 0.000 0.981 305 K CB 0.848 33.493 32.500 0.241 0.000 0.933 305 K HN 0.605 nan 8.250 nan 0.000 0.477 306 V N 3.454 123.500 119.914 0.220 0.000 2.378 306 V HA 0.267 4.381 4.120 -0.011 0.000 0.288 306 V C -0.953 175.237 176.094 0.159 0.000 1.016 306 V CA -0.686 61.697 62.300 0.138 0.000 0.840 306 V CB 1.543 33.238 31.823 -0.214 0.000 0.994 306 V HN 0.782 nan 8.190 nan 0.000 0.431 307 S N 3.722 119.517 115.700 0.159 0.000 2.594 307 S HA 0.468 4.931 4.470 -0.011 0.000 0.296 307 S C -0.541 174.099 174.600 0.066 0.000 1.124 307 S CA -0.832 57.442 58.200 0.123 0.000 1.011 307 S CB 1.697 64.981 63.200 0.141 0.000 1.016 307 S HN 0.765 nan 8.310 nan 0.000 0.485 308 E N 2.675 122.889 120.200 0.023 0.000 1.986 308 E HA 0.349 4.692 4.350 -0.011 0.000 0.264 308 E C 0.057 176.577 176.600 -0.133 0.000 1.023 308 E CA -0.427 55.942 56.400 -0.052 0.000 0.834 308 E CB 0.459 30.134 29.700 -0.042 0.000 1.111 308 E HN 0.550 nan 8.360 nan 0.000 0.417 309 R N 0.636 121.046 120.500 -0.150 0.000 2.846 309 R HA 0.398 4.731 4.340 -0.011 0.000 0.263 309 R C -1.104 175.059 176.300 -0.230 0.000 1.080 309 R CA -0.864 55.091 56.100 -0.243 0.000 0.961 309 R CB 0.525 30.779 30.300 -0.077 0.000 1.231 309 R HN 0.128 nan 8.270 nan 0.000 0.465 310 Y N 0.621 120.919 120.300 -0.003 0.000 2.377 310 Y HA 0.377 4.920 4.550 -0.012 0.000 0.330 310 Y C -0.006 175.885 175.900 -0.013 0.000 1.108 310 Y CA -0.449 57.642 58.100 -0.016 0.000 1.308 310 Y CB 0.873 39.333 38.460 -0.001 0.000 1.216 310 Y HN 0.112 nan 8.280 nan 0.000 0.518 311 L N 3.891 125.186 121.223 0.120 0.000 2.409 311 L HA 0.513 4.846 4.340 -0.011 0.000 0.272 311 L C -0.094 176.775 176.870 -0.002 0.000 0.980 311 L CA -0.728 54.111 54.840 -0.003 0.000 0.826 311 L CB 2.239 44.203 42.059 -0.159 0.000 1.268 311 L HN 0.668 nan 8.230 nan 0.000 0.407 312 T N -1.453 113.103 114.554 0.002 0.000 2.938 312 T HA 0.411 4.754 4.350 -0.011 0.000 0.285 312 T C 0.993 175.662 174.700 -0.053 0.000 1.028 312 T CA -0.907 61.191 62.100 -0.003 0.000 1.005 312 T CB 1.508 70.395 68.868 0.032 0.000 1.157 312 T HN 0.344 nan 8.240 nan 0.000 0.550 313 M N 0.631 120.183 119.600 -0.081 0.000 2.175 313 M HA -0.004 4.469 4.480 -0.011 0.000 0.264 313 M C 1.467 177.729 176.300 -0.063 0.000 1.063 313 M CA 1.384 56.569 55.300 -0.192 0.000 1.119 313 M CB -1.527 30.805 32.600 -0.447 0.000 1.377 313 M HN 0.675 nan 8.290 nan 0.000 0.415 314 D N 0.799 121.213 120.400 0.023 0.000 2.117 314 D HA -0.153 4.481 4.640 -0.011 0.000 0.197 314 D C 1.588 177.937 176.300 0.081 0.000 0.987 314 D CA 1.146 55.184 54.000 0.064 0.000 0.829 314 D CB -0.276 40.573 40.800 0.081 0.000 0.961 314 D HN 0.296 nan 8.370 nan 0.000 0.460 315 D N 0.036 120.494 120.400 0.096 0.000 2.117 315 D HA -0.128 4.505 4.640 -0.011 0.000 0.197 315 D C 2.148 178.582 176.300 0.223 0.000 0.987 315 D CA 0.347 54.468 54.000 0.202 0.000 0.829 315 D CB -0.339 40.602 40.800 0.234 0.000 0.961 315 D HN 0.135 nan 8.370 nan 0.000 0.460 316 L N 1.086 122.341 121.223 0.053 0.000 1.976 316 L HA -0.178 4.155 4.340 -0.011 0.000 0.209 316 L C 2.542 179.449 176.870 0.062 0.000 1.071 316 L CA 2.370 57.213 54.840 0.006 0.000 0.746 316 L CB -1.312 40.681 42.059 -0.111 0.000 0.890 316 L HN 0.161 nan 8.230 nan 0.000 0.432 317 T N -4.815 109.760 114.554 0.036 0.000 2.684 317 T HA -0.205 4.138 4.350 -0.011 0.000 0.267 317 T C 1.822 176.565 174.700 0.072 0.000 1.036 317 T CA 1.918 64.048 62.100 0.050 0.000 1.148 317 T CB -1.301 67.599 68.868 0.052 0.000 0.863 317 T HN 0.359 nan 8.240 nan 0.000 0.436 318 T N 2.087 116.693 114.554 0.086 0.000 2.759 318 T HA 0.039 4.382 4.350 -0.011 0.000 0.269 318 T C 2.434 177.184 174.700 0.084 0.000 1.042 318 T CA 1.368 63.515 62.100 0.077 0.000 1.140 318 T CB -0.808 68.107 68.868 0.078 0.000 0.864 318 T HN 0.626 nan 8.240 nan 0.000 0.455 319 A N 0.951 123.861 122.820 0.149 0.000 1.898 319 A HA 0.064 4.377 4.320 -0.011 0.000 0.216 319 A C 2.299 179.950 177.584 0.113 0.000 1.181 319 A CA 1.039 53.174 52.037 0.164 0.000 0.620 319 A CB -0.744 18.519 19.000 0.438 0.000 0.819 319 A HN 0.463 nan 8.150 nan 0.000 0.442 320 L N 0.268 121.553 121.223 0.103 0.000 2.017 320 L HA -0.183 4.150 4.340 -0.011 0.000 0.208 320 L C 1.904 178.805 176.870 0.053 0.000 1.073 320 L CA 1.573 56.455 54.840 0.070 0.000 0.745 320 L CB -0.687 41.407 42.059 0.058 0.000 0.894 320 L HN 0.650 nan 8.230 nan 0.000 0.432 321 E N 0.305 120.534 120.200 0.048 0.000 2.651 321 E HA 0.045 4.389 4.350 -0.011 0.000 0.236 321 E C 0.907 177.522 176.600 0.024 0.000 1.422 321 E CA 0.477 56.898 56.400 0.035 0.000 1.534 321 E CB -0.167 29.553 29.700 0.033 0.000 1.381 321 E HN 0.438 nan 8.360 nan 0.000 0.435 322 G N 1.260 110.074 108.800 0.023 0.000 3.912 322 G HA2 -0.037 3.916 3.960 -0.011 0.000 0.203 322 G HA3 -0.037 3.916 3.960 -0.011 0.000 0.203 322 G C 0.044 174.945 174.900 0.002 0.000 1.112 322 G CA -0.265 44.838 45.100 0.006 0.000 0.871 322 G HN 0.371 nan 8.290 nan 0.000 0.549 323 N N 0.035 118.745 118.700 0.017 0.000 2.714 323 N HA -0.195 4.538 4.740 -0.011 0.000 0.250 323 N C 1.501 177.013 175.510 0.002 0.000 1.117 323 N CA 0.518 53.576 53.050 0.014 0.000 0.719 323 N CB -0.317 38.173 38.487 0.005 0.000 1.081 323 N HN 0.351 nan 8.380 nan 0.000 0.557 324 R N 0.030 120.537 120.500 0.012 0.000 2.200 324 R HA 0.075 4.408 4.340 -0.011 0.000 0.208 324 R C 0.589 176.925 176.300 0.060 0.000 1.033 324 R CA 0.580 56.676 56.100 -0.008 0.000 1.000 324 R CB 0.321 30.589 30.300 -0.053 0.000 0.906 324 R HN 0.048 nan 8.270 nan 0.000 0.462 325 V N 2.114 122.092 119.914 0.108 0.000 2.686 325 V HA 0.096 4.209 4.120 -0.011 0.000 0.295 325 V C 1.287 177.390 176.094 0.015 0.000 1.055 325 V CA 0.034 62.404 62.300 0.117 0.000 1.050 325 V CB 1.605 33.484 31.823 0.093 0.000 0.984 325 V HN 0.197 nan 8.190 nan 0.000 0.482 326 R N 1.881 122.362 120.500 -0.032 0.000 2.197 326 R HA 0.387 4.720 4.340 -0.011 0.000 0.188 326 R C -0.026 176.280 176.300 0.010 0.000 1.015 326 R CA 0.283 56.332 56.100 -0.085 0.000 1.132 326 R CB 0.685 30.781 30.300 -0.340 0.000 1.134 326 R HN 0.787 nan 8.270 nan 0.000 0.560 327 E N 0.067 120.311 120.200 0.073 0.000 2.366 327 E HA 0.434 4.777 4.350 -0.011 0.000 0.278 327 E C -1.364 175.302 176.600 0.110 0.000 0.923 327 E CA -0.378 56.114 56.400 0.153 0.000 0.761 327 E CB 3.227 33.122 29.700 0.325 0.000 1.231 327 E HN -0.111 nan 8.360 nan 0.000 0.443 328 M N 3.493 123.141 119.600 0.079 0.000 2.386 328 M HA 0.604 5.078 4.480 -0.011 0.000 0.293 328 M C -2.034 174.310 176.300 0.073 0.000 1.120 328 M CA -0.659 54.611 55.300 -0.050 0.000 0.909 328 M CB 1.310 33.853 32.600 -0.094 0.000 1.661 328 M HN 0.622 nan 8.290 nan 0.000 0.452 329 F N 1.619 121.585 119.950 0.026 0.000 2.678 329 F HA 0.883 5.403 4.527 -0.012 0.000 0.308 329 F C -0.709 175.161 175.800 0.117 0.000 1.118 329 F CA -0.957 57.058 58.000 0.024 0.000 0.959 329 F CB 0.622 39.596 39.000 -0.043 0.000 1.305 329 F HN 0.545 nan 8.300 nan 0.000 0.443 330 G N 0.331 109.334 108.800 0.340 0.000 2.437 330 G HA2 0.582 4.535 3.960 -0.011 0.000 0.319 330 G HA3 0.582 4.535 3.960 -0.011 0.000 0.319 330 G C -1.289 173.862 174.900 0.418 0.000 1.158 330 G CA -0.454 44.820 45.100 0.289 0.000 0.899 330 G HN 1.187 nan 8.290 nan 0.000 0.502 331 S N -0.585 115.343 115.700 0.380 0.000 2.548 331 S HA 0.933 5.396 4.470 -0.011 0.000 0.286 331 S C -0.222 174.522 174.600 0.240 0.000 1.098 331 S CA -0.109 58.307 58.200 0.361 0.000 0.930 331 S CB 2.150 65.661 63.200 0.518 0.000 1.070 331 S HN 1.962 nan 8.310 nan 0.000 0.480 332 G N 0.430 109.341 108.800 0.184 0.000 2.368 332 G HA2 0.429 4.382 3.960 -0.011 0.000 0.293 332 G HA3 0.429 4.382 3.960 -0.011 0.000 0.293 332 G C 0.099 175.064 174.900 0.109 0.000 1.467 332 G CA -0.137 45.041 45.100 0.130 0.000 0.804 332 G HN 0.582 nan 8.290 nan 0.000 0.535 333 T N 0.899 115.521 114.554 0.113 0.000 2.788 333 T HA -0.032 4.311 4.350 -0.011 0.000 0.268 333 T C 2.707 177.500 174.700 0.155 0.000 1.044 333 T CA 2.685 64.880 62.100 0.159 0.000 1.139 333 T CB -0.279 68.720 68.868 0.219 0.000 0.867 333 T HN 0.941 nan 8.240 nan 0.000 0.454 334 A N -0.324 122.503 122.820 0.011 0.000 1.897 334 A HA -0.049 4.264 4.320 -0.011 0.000 0.215 334 A C 2.582 180.197 177.584 0.053 0.000 1.181 334 A CA 1.409 53.385 52.037 -0.101 0.000 0.620 334 A CB -0.964 17.430 19.000 -1.009 0.000 0.821 334 A HN 0.613 nan 8.150 nan 0.000 0.443 335 C N -2.829 116.515 119.300 0.073 0.000 2.935 335 C HA 0.368 4.821 4.460 -0.011 0.000 0.308 335 C C 1.900 176.992 174.990 0.170 0.000 1.263 335 C CA 0.831 59.953 59.018 0.174 0.000 1.738 335 C CB -0.587 27.285 27.740 0.220 0.000 2.237 335 C HN 0.717 nan 8.230 nan 0.000 0.600 336 V N -0.282 119.718 119.914 0.143 0.000 0.609 336 V HA -0.243 3.870 4.120 -0.011 0.000 0.092 336 V C 0.318 176.494 176.094 0.138 0.000 1.683 336 V CA 1.879 64.250 62.300 0.119 0.000 3.346 336 V CB -1.748 30.131 31.823 0.093 0.000 0.626 336 V HN 0.260 nan 8.190 nan 0.000 0.642 337 V N -0.421 119.581 119.914 0.146 0.000 2.525 337 V HA 0.629 4.743 4.120 -0.011 0.000 0.299 337 V C -0.630 175.547 176.094 0.138 0.000 1.034 337 V CA 0.026 62.373 62.300 0.078 0.000 0.863 337 V CB 1.594 33.378 31.823 -0.065 0.000 0.999 337 V HN 0.657 nan 8.190 nan 0.000 0.423 338 C N 7.227 126.618 119.300 0.153 0.000 2.653 338 C HA 0.466 4.919 4.460 -0.011 0.000 0.291 338 C C -2.540 172.508 174.990 0.097 0.000 1.064 338 C CA -1.492 57.611 59.018 0.141 0.000 1.469 338 C CB 1.245 29.100 27.740 0.192 0.000 1.861 338 C HN 0.667 nan 8.230 nan 0.000 0.434 339 P HA 0.103 nan 4.420 nan 0.000 0.265 339 P C -0.618 176.689 177.300 0.011 0.000 1.193 339 P CA 0.348 63.397 63.100 -0.084 0.000 0.765 339 P CB 0.547 32.060 31.700 -0.310 0.000 0.823 340 V N 3.016 122.943 119.914 0.022 0.000 2.435 340 V HA 0.222 4.335 4.120 -0.011 0.000 0.290 340 V C 1.087 177.147 176.094 -0.056 0.000 1.030 340 V CA 0.264 62.562 62.300 -0.004 0.000 0.881 340 V CB 1.446 33.262 31.823 -0.013 0.000 0.983 340 V HN 0.685 nan 8.190 nan 0.000 0.445 341 S N 1.412 117.072 115.700 -0.068 0.000 2.524 341 S HA 0.329 4.792 4.470 -0.011 0.000 0.222 341 S C 0.144 174.598 174.600 -0.244 0.000 1.040 341 S CA -0.293 57.806 58.200 -0.169 0.000 0.915 341 S CB 0.476 63.647 63.200 -0.050 0.000 0.831 341 S HN 0.713 nan 8.310 nan 0.000 0.492 342 D N 0.478 120.825 120.400 -0.087 0.000 2.736 342 D HA 0.473 5.106 4.640 -0.011 0.000 0.223 342 D C -1.511 174.784 176.300 -0.009 0.000 1.231 342 D CA -0.357 53.624 54.000 -0.031 0.000 0.818 342 D CB 2.246 43.084 40.800 0.063 0.000 1.587 342 D HN 0.150 nan 8.370 nan 0.000 0.463 343 I N 1.662 122.229 120.570 -0.005 0.000 2.447 343 I HA 0.212 4.376 4.170 -0.011 0.000 0.287 343 I C -0.929 175.205 176.117 0.028 0.000 1.023 343 I CA -0.799 60.494 61.300 -0.012 0.000 1.083 343 I CB 1.919 39.874 38.000 -0.076 0.000 1.245 343 I HN 0.048 nan 8.210 nan 0.000 0.434 344 L N 7.655 128.909 121.223 0.051 0.000 2.268 344 L HA 0.324 4.657 4.340 -0.011 0.000 0.289 344 L C -0.894 175.937 176.870 -0.065 0.000 1.064 344 L CA -0.096 54.783 54.840 0.065 0.000 0.824 344 L CB 0.048 42.255 42.059 0.247 0.000 1.202 344 L HN 0.359 nan 8.230 nan 0.000 0.433 345 Y N 3.167 123.344 120.300 -0.205 0.000 2.373 345 Y HA 0.339 4.882 4.550 -0.012 0.000 0.336 345 Y C 0.188 175.958 175.900 -0.217 0.000 0.979 345 Y CA -1.724 56.210 58.100 -0.276 0.000 1.080 345 Y CB 1.206 39.539 38.460 -0.212 0.000 1.190 345 Y HN 0.573 nan 8.280 nan 0.000 0.446 346 K N 4.611 124.632 120.400 -0.632 0.000 3.257 346 K HA -0.227 4.086 4.320 -0.011 0.000 0.270 346 K C 0.963 177.415 176.600 -0.247 0.000 0.984 346 K CA 0.985 56.965 56.287 -0.512 0.000 0.739 346 K CB -1.560 30.555 32.500 -0.643 0.000 1.351 346 K HN 1.340 nan 8.250 nan 0.000 0.463 347 G N 0.136 108.838 108.800 -0.164 0.000 2.228 347 G HA2 -0.404 3.549 3.960 -0.011 0.000 0.270 347 G HA3 -0.404 3.549 3.960 -0.011 0.000 0.270 347 G C -0.055 174.834 174.900 -0.020 0.000 0.976 347 G CA 0.951 46.020 45.100 -0.051 0.000 0.636 347 G HN 0.620 nan 8.290 nan 0.000 0.542 348 E N 0.758 120.936 120.200 -0.036 0.000 2.166 348 E HA 0.531 4.874 4.350 -0.011 0.000 0.275 348 E C -0.500 176.124 176.600 0.040 0.000 0.941 348 E CA -0.418 55.985 56.400 0.005 0.000 0.784 348 E CB 0.777 30.476 29.700 -0.002 0.000 1.115 348 E HN 0.063 nan 8.360 nan 0.000 0.399 349 T N 5.681 120.267 114.554 0.054 0.000 2.723 349 T HA 0.311 4.654 4.350 -0.011 0.000 0.297 349 T C 0.198 174.945 174.700 0.078 0.000 0.925 349 T CA -0.223 61.920 62.100 0.073 0.000 1.030 349 T CB -0.097 68.818 68.868 0.077 0.000 0.905 349 T HN 0.370 nan 8.240 nan 0.000 0.502 350 I N 4.169 124.784 120.570 0.074 0.000 2.307 350 I HA 0.192 4.355 4.170 -0.011 0.000 0.289 350 I C 0.788 176.949 176.117 0.074 0.000 1.021 350 I CA -0.744 60.598 61.300 0.070 0.000 1.224 350 I CB 0.505 38.530 38.000 0.041 0.000 1.376 350 I HN 0.573 nan 8.210 nan 0.000 0.470 351 H N 7.519 126.600 119.070 0.019 0.000 2.610 351 H HA 0.338 4.887 4.556 -0.011 0.000 0.336 351 H C -0.855 174.482 175.328 0.014 0.000 1.087 351 H CA -0.298 55.761 56.048 0.018 0.000 1.405 351 H CB 1.277 31.051 29.762 0.020 0.000 1.460 351 H HN 0.344 nan 8.280 nan 0.000 0.538 352 I N 7.892 128.125 120.570 -0.561 0.000 2.362 352 I HA 0.146 4.309 4.170 -0.011 0.000 0.289 352 I C -1.802 174.054 176.117 -0.434 0.000 0.994 352 I CA -2.745 58.359 61.300 -0.326 0.000 1.158 352 I CB 1.511 39.384 38.000 -0.212 0.000 1.315 352 I HN 0.524 nan 8.210 nan 0.000 0.451 353 P HA -0.010 nan 4.420 nan 0.000 0.269 353 P C 0.996 178.307 177.300 0.019 0.000 1.376 353 P CA 0.370 63.495 63.100 0.042 0.000 0.775 353 P CB -0.052 31.699 31.700 0.085 0.000 1.345 354 T N 0.634 115.165 114.554 -0.038 0.000 2.570 354 T HA -0.185 4.158 4.350 -0.011 0.000 0.266 354 T C 1.861 176.578 174.700 0.028 0.000 1.071 354 T CA 1.650 63.751 62.100 0.002 0.000 1.172 354 T CB -0.434 68.423 68.868 -0.019 0.000 0.864 354 T HN 0.085 nan 8.240 nan 0.000 0.421 355 M N 0.955 120.578 119.600 0.038 0.000 2.279 355 M HA -0.005 4.468 4.480 -0.011 0.000 0.264 355 M C 1.975 178.327 176.300 0.086 0.000 1.062 355 M CA 1.301 56.645 55.300 0.072 0.000 1.099 355 M CB -1.286 31.372 32.600 0.096 0.000 1.394 355 M HN 0.231 nan 8.290 nan 0.000 0.426 356 E N 0.280 120.537 120.200 0.095 0.000 2.427 356 E HA -0.017 4.326 4.350 -0.011 0.000 0.196 356 E C 0.677 177.315 176.600 0.064 0.000 1.028 356 E CA 0.434 56.885 56.400 0.084 0.000 0.864 356 E CB -0.150 29.609 29.700 0.098 0.000 0.813 356 E HN 0.413 nan 8.360 nan 0.000 0.514 357 N N -0.136 118.600 118.700 0.060 0.000 2.380 357 N HA 0.204 4.937 4.740 -0.011 0.000 0.255 357 N C 0.424 175.973 175.510 0.066 0.000 1.158 357 N CA 0.646 53.727 53.050 0.051 0.000 0.878 357 N CB 1.378 39.887 38.487 0.037 0.000 1.138 357 N HN 0.218 nan 8.380 nan 0.000 0.509 358 G N 1.529 110.372 108.800 0.072 0.000 2.134 358 G HA2 -0.178 3.775 3.960 -0.011 0.000 0.225 358 G HA3 -0.178 3.775 3.960 -0.011 0.000 0.225 358 G C -2.490 172.480 174.900 0.117 0.000 1.944 358 G CA -0.638 44.514 45.100 0.087 0.000 1.512 358 G HN 0.244 nan 8.290 nan 0.000 0.493 359 P HA 0.448 nan 4.420 nan 0.000 0.281 359 P C 0.710 178.065 177.300 0.093 0.000 1.286 359 P CA 1.107 64.245 63.100 0.063 0.000 0.772 359 P CB 1.171 32.823 31.700 -0.081 0.000 0.862 360 K N 4.190 124.650 120.400 0.102 0.000 1.978 360 K HA -0.133 4.180 4.320 -0.011 0.000 0.214 360 K C 1.984 178.622 176.600 0.063 0.000 1.049 360 K CA 1.537 57.879 56.287 0.091 0.000 0.939 360 K CB -1.505 31.059 32.500 0.108 0.000 0.721 360 K HN 0.450 nan 8.250 nan 0.000 0.441 361 L N -0.101 121.171 121.223 0.082 0.000 1.989 361 L HA -0.168 4.166 4.340 -0.011 0.000 0.211 361 L C 3.053 179.878 176.870 -0.075 0.000 1.071 361 L CA 1.680 56.516 54.840 -0.006 0.000 0.749 361 L CB -0.574 41.405 42.059 -0.134 0.000 0.890 361 L HN 0.550 nan 8.230 nan 0.000 0.431 362 A N -0.860 121.837 122.820 -0.204 0.000 1.892 362 A HA -0.251 4.062 4.320 -0.011 0.000 0.218 362 A C 2.396 179.934 177.584 -0.077 0.000 1.188 362 A CA 2.376 54.097 52.037 -0.526 0.000 0.631 362 A CB -0.731 17.826 19.000 -0.739 0.000 0.822 362 A HN 0.516 nan 8.150 nan 0.000 0.447 363 S N -1.071 114.717 115.700 0.146 0.000 2.355 363 S HA -0.142 4.321 4.470 -0.011 0.000 0.222 363 S C 2.077 176.738 174.600 0.101 0.000 1.031 363 S CA 1.207 59.567 58.200 0.267 0.000 0.993 363 S CB -0.357 62.972 63.200 0.215 0.000 0.859 363 S HN 0.673 nan 8.310 nan 0.000 0.453 364 R N 1.010 121.537 120.500 0.045 0.000 2.091 364 R HA -0.052 4.281 4.340 -0.011 0.000 0.238 364 R C 2.091 178.456 176.300 0.108 0.000 1.136 364 R CA 1.388 57.497 56.100 0.014 0.000 0.959 364 R CB -0.392 29.851 30.300 -0.094 0.000 0.856 364 R HN 0.392 nan 8.270 nan 0.000 0.437 365 I N 0.666 121.312 120.570 0.127 0.000 2.315 365 I HA -0.260 3.903 4.170 -0.011 0.000 0.248 365 I C 2.297 178.468 176.117 0.090 0.000 1.117 365 I CA 0.533 61.929 61.300 0.159 0.000 1.404 365 I CB -0.225 37.776 38.000 0.003 0.000 1.071 365 I HN 0.238 nan 8.210 nan 0.000 0.419 366 L N 0.399 121.661 121.223 0.064 0.000 2.017 366 L HA -0.183 4.150 4.340 -0.011 0.000 0.208 366 L C 2.601 179.495 176.870 0.041 0.000 1.073 366 L CA 1.897 56.776 54.840 0.064 0.000 0.745 366 L CB -0.593 41.534 42.059 0.113 0.000 0.894 366 L HN 0.064 nan 8.230 nan 0.000 0.432 367 S N -0.533 115.192 115.700 0.042 0.000 2.359 367 S HA -0.232 4.231 4.470 -0.011 0.000 0.224 367 S C 1.949 176.582 174.600 0.055 0.000 1.035 367 S CA 1.557 59.775 58.200 0.029 0.000 1.018 367 S CB -0.338 62.873 63.200 0.017 0.000 0.876 367 S HN 0.351 nan 8.310 nan 0.000 0.448 368 K N 1.678 122.141 120.400 0.105 0.000 1.991 368 K HA 0.009 4.322 4.320 -0.011 0.000 0.212 368 K C 1.885 178.552 176.600 0.111 0.000 1.049 368 K CA 1.402 57.776 56.287 0.145 0.000 0.932 368 K CB -0.745 31.920 32.500 0.276 0.000 0.717 368 K HN 0.303 nan 8.250 nan 0.000 0.441 369 L N -0.065 121.212 121.223 0.090 0.000 2.017 369 L HA -0.189 4.145 4.340 -0.011 0.000 0.208 369 L C 2.323 179.109 176.870 -0.139 0.000 1.073 369 L CA 1.834 56.667 54.840 -0.012 0.000 0.745 369 L CB -0.867 41.141 42.059 -0.086 0.000 0.894 369 L HN 0.259 nan 8.230 nan 0.000 0.432 370 T N -0.915 113.598 114.554 -0.069 0.000 2.788 370 T HA -0.173 4.170 4.350 -0.011 0.000 0.268 370 T C 1.454 176.181 174.700 0.045 0.000 1.044 370 T CA 1.477 63.566 62.100 -0.017 0.000 1.139 370 T CB -0.245 68.660 68.868 0.062 0.000 0.867 370 T HN 0.314 nan 8.240 nan 0.000 0.454 371 D N 0.946 121.367 120.400 0.035 0.000 2.117 371 D HA 0.008 4.641 4.640 -0.011 0.000 0.197 371 D C 2.080 178.402 176.300 0.036 0.000 0.987 371 D CA 0.775 54.804 54.000 0.049 0.000 0.829 371 D CB -0.305 40.520 40.800 0.041 0.000 0.961 371 D HN 0.377 nan 8.370 nan 0.000 0.460 372 I N 0.757 121.343 120.570 0.028 0.000 2.252 372 I HA -0.255 3.909 4.170 -0.011 0.000 0.245 372 I C 2.356 178.475 176.117 0.003 0.000 1.102 372 I CA 0.994 62.337 61.300 0.072 0.000 1.385 372 I CB -0.258 37.878 38.000 0.227 0.000 1.064 372 I HN -0.021 nan 8.210 nan 0.000 0.414 373 Q N -0.101 119.546 119.800 -0.255 0.000 2.119 373 Q HA -0.168 4.165 4.340 -0.011 0.000 0.201 373 Q C 1.439 177.065 176.000 -0.623 0.000 0.972 373 Q CA 1.506 56.896 55.803 -0.688 0.000 0.847 373 Q CB -0.116 27.624 28.738 -1.664 0.000 0.903 373 Q HN 0.551 nan 8.270 nan 0.000 0.433 374 Y N -0.455 119.702 120.300 -0.238 0.000 2.462 374 Y HA 0.194 4.737 4.550 -0.011 0.000 0.293 374 Y C 1.309 177.206 175.900 -0.004 0.000 1.195 374 Y CA 0.305 58.363 58.100 -0.069 0.000 1.276 374 Y CB 0.550 38.979 38.460 -0.051 0.000 1.082 374 Y HN 0.237 nan 8.280 nan 0.000 0.514 375 G N 0.491 109.341 108.800 0.083 0.000 2.155 375 G HA2 -0.353 3.600 3.960 -0.011 0.000 0.257 375 G HA3 -0.353 3.600 3.960 -0.011 0.000 0.257 375 G C 1.302 176.245 174.900 0.071 0.000 0.983 375 G CA 0.407 45.555 45.100 0.080 0.000 0.676 375 G HN 0.459 nan 8.290 nan 0.000 0.528 376 R N 0.059 120.604 120.500 0.074 0.000 2.236 376 R HA 0.149 4.482 4.340 -0.011 0.000 0.208 376 R C 0.904 177.224 176.300 0.034 0.000 1.036 376 R CA 1.031 57.161 56.100 0.051 0.000 1.001 376 R CB 0.335 30.663 30.300 0.047 0.000 0.896 376 R HN 0.614 nan 8.270 nan 0.000 0.464 377 E N 0.809 121.029 120.200 0.034 0.000 2.275 377 E HA 0.108 4.451 4.350 -0.011 0.000 0.270 377 E C -1.141 175.467 176.600 0.013 0.000 0.882 377 E CA -0.486 55.925 56.400 0.017 0.000 0.758 377 E CB 1.635 31.344 29.700 0.014 0.000 1.195 377 E HN -0.139 nan 8.360 nan 0.000 0.419 378 E N 2.901 123.100 120.200 -0.002 0.000 2.313 378 E HA 0.373 4.716 4.350 -0.011 0.000 0.276 378 E C -0.526 176.048 176.600 -0.044 0.000 1.031 378 E CA -0.040 56.355 56.400 -0.008 0.000 0.857 378 E CB 1.546 31.240 29.700 -0.009 0.000 1.040 378 E HN 0.494 nan 8.360 nan 0.000 0.408 379 R N 1.303 121.777 120.500 -0.043 0.000 2.728 379 R HA 0.042 4.375 4.340 -0.011 0.000 0.274 379 R C -0.186 176.075 176.300 -0.064 0.000 1.032 379 R CA -0.371 55.658 56.100 -0.119 0.000 0.866 379 R CB 0.536 30.698 30.300 -0.230 0.000 1.263 379 R HN 0.457 nan 8.270 nan 0.000 0.475 380 D N 1.169 121.505 120.400 -0.107 0.000 2.378 380 D HA -0.106 4.527 4.640 -0.011 0.000 0.227 380 D C 0.534 176.910 176.300 0.125 0.000 1.012 380 D CA 0.318 54.315 54.000 -0.006 0.000 0.905 380 D CB 0.122 40.913 40.800 -0.015 0.000 0.895 380 D HN 0.431 nan 8.370 nan 0.000 0.532 381 W N 2.171 123.413 121.300 -0.096 0.000 2.658 381 W HA 0.087 4.741 4.660 -0.011 0.000 0.263 381 W C 1.024 177.402 176.519 -0.235 0.000 1.274 381 W CA 0.258 57.462 57.345 -0.234 0.000 1.343 381 W CB -0.625 28.670 29.460 -0.276 0.000 1.106 381 W HN -0.025 nan 8.180 nan 0.000 0.615 382 T N -1.687 112.958 114.554 0.152 0.000 2.932 382 T HA 0.766 5.109 4.350 -0.011 0.000 0.289 382 T C -0.431 174.316 174.700 0.079 0.000 1.039 382 T CA -0.598 61.580 62.100 0.130 0.000 1.024 382 T CB 2.466 71.453 68.868 0.197 0.000 1.090 382 T HN -0.170 nan 8.240 nan 0.000 0.496 383 I N 0.754 121.368 120.570 0.073 0.000 2.785 383 I HA 0.670 4.833 4.170 -0.011 0.000 0.302 383 I C -1.088 175.061 176.117 0.055 0.000 1.069 383 I CA -1.502 59.826 61.300 0.048 0.000 1.045 383 I CB 2.598 40.614 38.000 0.026 0.000 1.236 383 I HN 0.450 nan 8.210 nan 0.000 0.429 384 V N 5.135 125.073 119.914 0.041 0.000 2.686 384 V HA 0.500 4.613 4.120 -0.011 0.000 0.306 384 V C -0.434 175.677 176.094 0.028 0.000 1.065 384 V CA -0.492 61.833 62.300 0.041 0.000 0.894 384 V CB 2.384 34.233 31.823 0.044 0.000 1.004 384 V HN 0.543 nan 8.190 nan 0.000 0.424 385 L N 0.000 121.238 121.223 0.026 0.000 2.949 385 L HA 0.000 4.333 4.340 -0.011 0.000 0.249 385 L CA 0.000 54.851 54.840 0.018 0.000 0.813 385 L CB 0.000 42.066 42.059 0.012 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502