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 2r5j_1_H DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.624 177.584 0.066 0.000 1.274 20 A CA 0.000 52.056 52.037 0.032 0.000 0.836 20 A CB 0.000 19.010 19.000 0.017 0.000 0.831 21 V N 2.061 121.952 119.914 -0.038 0.000 2.872 21 V HA 0.415 4.535 4.120 0.000 0.000 0.307 21 V C 0.450 176.453 176.094 -0.153 0.000 1.072 21 V CA 0.385 62.639 62.300 -0.076 0.000 1.148 21 V CB 1.233 32.731 31.823 -0.542 0.000 0.954 21 V HN 0.857 nan 8.190 nan 0.000 0.490 22 V N 2.428 122.364 119.914 0.036 0.000 3.181 22 V HA 0.411 4.531 4.120 0.000 0.000 0.308 22 V C -0.103 176.185 176.094 0.323 0.000 1.214 22 V CA -0.735 61.633 62.300 0.113 0.000 1.053 22 V CB 2.311 34.144 31.823 0.017 0.000 1.069 22 V HN 0.820 nan 8.190 nan 0.000 0.441 23 S N 0.724 116.616 115.700 0.320 0.000 2.549 23 S HA 0.100 4.571 4.470 0.000 0.000 0.279 23 S C 1.575 176.172 174.600 -0.005 0.000 1.321 23 S CA 0.399 58.741 58.200 0.236 0.000 1.054 23 S CB 1.031 64.317 63.200 0.143 0.000 0.899 23 S HN 1.263 nan 8.310 nan 0.000 0.497 24 T N 1.695 116.185 114.554 -0.106 0.000 2.918 24 T HA -0.139 4.211 4.350 0.000 0.000 0.271 24 T C 0.864 175.318 174.700 -0.409 0.000 1.104 24 T CA 1.623 63.373 62.100 -0.583 0.000 1.114 24 T CB -0.455 68.281 68.868 -0.219 0.000 0.855 24 T HN 0.661 nan 8.240 nan 0.000 0.518 25 D N 1.304 121.612 120.400 -0.153 0.000 2.264 25 D HA -0.041 4.599 4.640 0.000 0.000 0.208 25 D C 2.119 178.386 176.300 -0.055 0.000 0.966 25 D CA 0.674 54.627 54.000 -0.078 0.000 0.864 25 D CB -0.156 40.634 40.800 -0.015 0.000 0.933 25 D HN 0.548 nan 8.370 nan 0.000 0.499 26 E N -0.066 120.102 120.200 -0.054 0.000 2.358 26 E HA -0.099 4.251 4.350 0.000 0.000 0.195 26 E C 0.844 177.538 176.600 0.156 0.000 1.010 26 E CA 0.503 56.934 56.400 0.051 0.000 0.856 26 E CB 0.051 29.815 29.700 0.106 0.000 0.795 26 E HN 0.614 nan 8.360 nan 0.000 0.504 27 Y N -2.886 117.480 120.300 0.110 0.000 2.779 27 Y HA 0.478 5.028 4.550 0.000 0.000 0.251 27 Y C -0.231 175.769 175.900 0.167 0.000 1.145 27 Y CA -0.667 57.514 58.100 0.134 0.000 1.201 27 Y CB 0.150 38.709 38.460 0.165 0.000 1.281 27 Y HN -0.317 nan 8.280 nan 0.000 0.563 28 V N 1.532 121.482 119.914 0.060 0.000 2.525 28 V HA 0.428 4.548 4.120 0.000 0.000 0.299 28 V C -0.158 175.953 176.094 0.029 0.000 1.034 28 V CA -0.499 61.855 62.300 0.090 0.000 0.863 28 V CB 1.853 33.675 31.823 -0.002 0.000 0.999 28 V HN 0.367 nan 8.190 nan 0.000 0.423 29 T N 5.532 120.108 114.554 0.037 0.000 2.922 29 T HA 0.533 4.883 4.350 0.000 0.000 0.285 29 T C -0.003 174.680 174.700 -0.027 0.000 1.005 29 T CA -0.598 61.507 62.100 0.008 0.000 1.061 29 T CB 0.826 69.706 68.868 0.019 0.000 1.007 29 T HN 0.469 nan 8.240 nan 0.000 0.502 30 R N 1.338 121.819 120.500 -0.032 0.000 2.668 30 R HA 0.692 5.033 4.340 0.000 0.000 0.279 30 R C 0.011 176.277 176.300 -0.057 0.000 0.976 30 R CA -0.692 55.376 56.100 -0.054 0.000 0.978 30 R CB 1.678 31.962 30.300 -0.026 0.000 1.133 30 R HN 0.842 nan 8.270 nan 0.000 0.484 31 T N -2.706 111.789 114.554 -0.098 0.000 2.906 31 T HA 0.264 4.614 4.350 0.000 0.000 0.295 31 T C 0.180 174.826 174.700 -0.090 0.000 1.075 31 T CA -0.896 61.162 62.100 -0.069 0.000 1.005 31 T CB 1.362 70.178 68.868 -0.086 0.000 1.136 31 T HN 0.539 nan 8.240 nan 0.000 0.498 32 N N 0.984 119.699 118.700 0.025 0.000 2.715 32 N HA 0.148 4.888 4.740 0.000 0.000 0.254 32 N C -0.514 175.056 175.510 0.101 0.000 1.306 32 N CA -0.133 52.992 53.050 0.125 0.000 0.956 32 N CB -0.174 38.417 38.487 0.174 0.000 1.296 32 N HN 0.432 nan 8.380 nan 0.000 0.512 33 I N 1.748 122.232 120.570 -0.143 0.000 2.420 33 I HA 0.240 4.411 4.170 0.000 0.000 0.282 33 I C -0.627 175.439 176.117 -0.084 0.000 1.019 33 I CA -0.576 60.714 61.300 -0.017 0.000 1.130 33 I CB -0.074 37.926 38.000 0.000 0.000 1.262 33 I HN -0.011 nan 8.210 nan 0.000 0.454 34 Y N 5.540 125.891 120.300 0.084 0.000 2.528 34 Y HA 0.623 5.173 4.550 0.000 0.000 0.335 34 Y C -0.606 175.261 175.900 -0.055 0.000 1.093 34 Y CA -0.701 57.416 58.100 0.028 0.000 1.134 34 Y CB 1.943 40.265 38.460 -0.229 0.000 1.253 34 Y HN 0.321 nan 8.280 nan 0.000 0.478 35 Y N -0.021 120.290 120.300 0.018 0.000 2.504 35 Y HA 0.260 4.810 4.550 0.000 0.000 0.344 35 Y C -0.345 175.336 175.900 -0.366 0.000 1.023 35 Y CA -1.120 56.916 58.100 -0.108 0.000 1.020 35 Y CB 1.531 39.928 38.460 -0.104 0.000 1.282 35 Y HN 0.593 nan 8.280 nan 0.000 0.454 36 H N 2.062 120.944 119.070 -0.313 0.000 2.488 36 H HA 0.850 5.407 4.556 0.000 0.000 0.347 36 H C -1.376 173.578 175.328 -0.623 0.000 1.174 36 H CA -0.144 55.572 56.048 -0.553 0.000 1.307 36 H CB 1.589 30.838 29.762 -0.855 0.000 1.517 36 H HN 0.815 nan 8.280 nan 0.000 0.554 37 A N 2.478 124.656 122.820 -1.070 0.000 2.491 37 A HA 0.537 4.857 4.320 0.000 0.000 0.293 37 A C -0.882 176.540 177.584 -0.271 0.000 1.047 37 A CA -0.012 51.749 52.037 -0.461 0.000 0.735 37 A CB 1.193 19.934 19.000 -0.431 0.000 1.281 37 A HN 0.840 nan 8.150 nan 0.000 0.398 38 G N 0.992 109.824 108.800 0.054 0.000 2.687 38 G HA2 0.620 4.581 3.960 0.000 0.000 0.301 38 G HA3 0.620 4.581 3.960 0.000 0.000 0.301 38 G C -0.199 174.775 174.900 0.123 0.000 1.416 38 G CA 0.171 45.339 45.100 0.114 0.000 1.005 38 G HN 1.598 nan 8.290 nan 0.000 0.509 39 S N 1.319 117.062 115.700 0.073 0.000 2.545 39 S HA 0.590 5.060 4.470 0.000 0.000 0.275 39 S C 1.085 175.713 174.600 0.046 0.000 1.299 39 S CA 0.130 58.363 58.200 0.056 0.000 1.048 39 S CB 1.188 64.376 63.200 -0.020 0.000 0.938 39 S HN 1.441 nan 8.310 nan 0.000 0.496 40 S N 3.016 118.760 115.700 0.074 0.000 2.650 40 S HA 0.156 4.626 4.470 0.000 0.000 0.251 40 S C 0.414 175.044 174.600 0.050 0.000 1.325 40 S CA -0.782 57.460 58.200 0.070 0.000 0.967 40 S CB -0.070 63.181 63.200 0.085 0.000 1.000 40 S HN 1.004 nan 8.310 nan 0.000 0.584 41 R N -0.056 120.479 120.500 0.059 0.000 2.489 41 R HA 0.281 4.621 4.340 0.000 0.000 0.287 41 R C -1.010 175.358 176.300 0.114 0.000 1.053 41 R CA -0.091 56.046 56.100 0.061 0.000 1.036 41 R CB -0.291 30.045 30.300 0.059 0.000 0.966 41 R HN 0.632 nan 8.270 nan 0.000 0.432 42 L N 6.550 127.849 121.223 0.127 0.000 2.313 42 L HA 0.439 4.779 4.340 0.000 0.000 0.283 42 L C -0.517 176.548 176.870 0.324 0.000 1.013 42 L CA -0.730 54.271 54.840 0.268 0.000 0.816 42 L CB 1.449 43.556 42.059 0.080 0.000 1.236 42 L HN 0.587 nan 8.230 nan 0.000 0.419 43 L N 2.787 124.245 121.223 0.391 0.000 2.271 43 L HA 0.986 5.326 4.340 0.000 0.000 0.265 43 L C -0.318 176.803 176.870 0.419 0.000 1.013 43 L CA -0.692 54.346 54.840 0.329 0.000 0.820 43 L CB 2.077 44.252 42.059 0.193 0.000 1.352 43 L HN 0.690 nan 8.230 nan 0.000 0.443 44 A N 0.752 123.743 122.820 0.286 0.000 2.518 44 A HA 0.684 5.004 4.320 0.000 0.000 0.295 44 A C -1.771 175.876 177.584 0.104 0.000 1.052 44 A CA -0.363 51.799 52.037 0.210 0.000 0.824 44 A CB 1.340 20.589 19.000 0.415 0.000 1.325 44 A HN 0.298 nan 8.150 nan 0.000 0.394 45 V N 1.998 121.943 119.914 0.051 0.000 2.612 45 V HA 0.888 5.008 4.120 0.000 0.000 0.301 45 V C 0.509 176.620 176.094 0.029 0.000 1.059 45 V CA 0.530 62.853 62.300 0.038 0.000 0.886 45 V CB 1.693 33.542 31.823 0.043 0.000 1.007 45 V HN 1.837 nan 8.190 nan 0.000 0.426 46 G N 2.426 111.246 108.800 0.033 0.000 2.650 46 G HA2 0.388 4.348 3.960 0.000 0.000 0.310 46 G HA3 0.388 4.348 3.960 0.000 0.000 0.310 46 G C -1.565 173.372 174.900 0.061 0.000 1.270 46 G CA -0.581 44.553 45.100 0.056 0.000 0.810 46 G HN 0.630 nan 8.290 nan 0.000 0.493 47 H N 1.141 120.203 119.070 -0.013 0.000 2.511 47 H HA 0.359 4.915 4.556 0.000 0.000 0.346 47 H C -1.506 173.755 175.328 -0.112 0.000 1.128 47 H CA -1.365 54.624 56.048 -0.099 0.000 1.342 47 H CB 2.635 32.326 29.762 -0.118 0.000 1.470 47 H HN 0.171 nan 8.280 nan 0.000 0.546 48 P HA -0.012 nan 4.420 nan 0.000 0.245 48 P C 0.443 177.803 177.300 0.100 0.000 1.203 48 P CA 0.921 63.934 63.100 -0.146 0.000 0.792 48 P CB 0.276 31.777 31.700 -0.331 0.000 0.997 49 Y N -0.602 119.766 120.300 0.113 0.000 2.506 49 Y HA 0.139 4.690 4.550 0.000 0.000 0.287 49 Y C 0.986 176.893 175.900 0.011 0.000 1.147 49 Y CA -0.507 57.569 58.100 -0.041 0.000 1.241 49 Y CB 0.273 38.579 38.460 -0.257 0.000 1.279 49 Y HN -0.117 nan 8.280 nan 0.000 0.527 50 Y N -1.661 118.808 120.300 0.282 0.000 2.670 50 Y HA 0.806 5.356 4.550 0.000 0.000 0.334 50 Y C -1.056 174.846 175.900 0.004 0.000 1.185 50 Y CA -2.865 55.279 58.100 0.073 0.000 1.053 50 Y CB 0.519 38.974 38.460 -0.009 0.000 1.298 50 Y HN -0.153 nan 8.280 nan 0.000 0.459 51 A N 1.361 124.363 122.820 0.304 0.000 2.306 51 A HA 0.756 5.076 4.320 0.000 0.000 0.314 51 A C -1.025 176.651 177.584 0.154 0.000 1.164 51 A CA -0.721 51.422 52.037 0.176 0.000 0.822 51 A CB 0.087 19.149 19.000 0.104 0.000 1.130 51 A HN 0.643 nan 8.150 nan 0.000 0.496 52 I N 2.770 123.414 120.570 0.125 0.000 2.306 52 I HA 0.219 4.389 4.170 0.000 0.000 0.288 52 I C 0.421 176.565 176.117 0.045 0.000 1.036 52 I CA -0.147 61.203 61.300 0.083 0.000 1.221 52 I CB 0.896 38.961 38.000 0.109 0.000 1.385 52 I HN 0.695 nan 8.210 nan 0.000 0.472 53 K N 4.789 125.199 120.400 0.017 0.000 2.098 53 K HA 0.554 4.874 4.320 0.000 0.000 0.258 53 K C -0.110 176.491 176.600 0.002 0.000 0.973 53 K CA -1.223 55.068 56.287 0.005 0.000 0.898 53 K CB 1.170 33.666 32.500 -0.007 0.000 1.057 53 K HN 0.119 nan 8.250 nan 0.000 0.447 54 K N 0.935 121.335 120.400 -0.000 0.000 2.584 54 K HA -0.211 4.109 4.320 0.000 0.000 0.277 54 K C 0.735 177.332 176.600 -0.006 0.000 0.960 54 K CA 0.850 57.136 56.287 -0.002 0.000 0.975 54 K CB 0.408 32.905 32.500 -0.005 0.000 0.885 54 K HN 0.760 nan 8.250 nan 0.000 0.515 55 Q N 0.946 120.744 119.800 -0.003 0.000 2.378 55 Q HA -0.022 4.318 4.340 0.000 0.000 0.205 55 Q C 0.117 176.110 176.000 -0.012 0.000 0.954 55 Q CA 1.713 57.512 55.803 -0.007 0.000 0.901 55 Q CB 0.369 29.107 28.738 -0.000 0.000 0.981 55 Q HN 0.717 nan 8.270 nan 0.000 0.483 56 D N -1.705 118.688 120.400 -0.011 0.000 3.084 56 D HA 0.046 4.686 4.640 0.000 0.000 0.294 56 D C 0.250 176.542 176.300 -0.014 0.000 1.165 56 D CA 0.177 54.170 54.000 -0.013 0.000 1.008 56 D CB -0.478 40.316 40.800 -0.010 0.000 1.266 56 D HN 0.060 nan 8.370 nan 0.000 0.449 57 S N 1.486 117.179 115.700 -0.012 0.000 2.553 57 S HA -0.055 4.415 4.470 0.000 0.000 0.271 57 S C 0.907 175.498 174.600 -0.014 0.000 1.362 57 S CA -0.036 58.157 58.200 -0.012 0.000 1.010 57 S CB 0.236 63.429 63.200 -0.011 0.000 0.865 57 S HN 0.301 nan 8.310 nan 0.000 0.543 58 N N 1.977 120.668 118.700 -0.015 0.000 2.234 58 N HA 0.092 4.832 4.740 0.000 0.000 0.227 58 N C -0.391 175.111 175.510 -0.013 0.000 1.151 58 N CA -0.366 52.675 53.050 -0.016 0.000 0.865 58 N CB 0.172 38.649 38.487 -0.017 0.000 1.066 58 N HN 0.419 nan 8.380 nan 0.000 0.515 59 K N 1.537 121.930 120.400 -0.012 0.000 2.234 59 K HA 0.224 4.545 4.320 0.000 0.000 0.282 59 K C 0.108 176.703 176.600 -0.009 0.000 1.039 59 K CA -0.606 55.674 56.287 -0.012 0.000 0.928 59 K CB 1.039 33.532 32.500 -0.013 0.000 1.039 59 K HN -0.009 nan 8.250 nan 0.000 0.470 60 I N 4.503 125.068 120.570 -0.009 0.000 2.664 60 I HA -0.094 4.076 4.170 0.000 0.000 0.284 60 I C 1.254 177.371 176.117 -0.001 0.000 1.154 60 I CA 0.446 61.745 61.300 -0.002 0.000 1.402 60 I CB 0.187 38.185 38.000 -0.004 0.000 1.395 60 I HN 0.804 nan 8.210 nan 0.000 0.545 61 A N 7.669 130.494 122.820 0.008 0.000 1.861 61 A HA 0.153 4.473 4.320 0.000 0.000 0.212 61 A C 0.831 178.422 177.584 0.011 0.000 1.199 61 A CA 0.753 52.794 52.037 0.008 0.000 0.613 61 A CB 0.131 19.138 19.000 0.013 0.000 0.846 61 A HN 0.484 nan 8.150 nan 0.000 0.446 62 V N 1.393 121.325 119.914 0.029 0.000 2.531 62 V HA 0.380 4.500 4.120 0.000 0.000 0.301 62 V C -2.640 173.484 176.094 0.051 0.000 1.034 62 V CA -2.079 60.245 62.300 0.039 0.000 0.865 62 V CB 1.718 33.583 31.823 0.069 0.000 0.995 62 V HN 0.295 nan 8.190 nan 0.000 0.424 63 P HA 0.120 nan 4.420 nan 0.000 0.272 63 P C -0.773 176.570 177.300 0.071 0.000 1.240 63 P CA -0.496 62.623 63.100 0.032 0.000 0.791 63 P CB 1.084 32.778 31.700 -0.010 0.000 0.978 64 K N 1.286 121.732 120.400 0.077 0.000 2.262 64 K HA 0.291 4.611 4.320 0.000 0.000 0.288 64 K C -1.057 175.592 176.600 0.081 0.000 1.090 64 K CA -0.386 55.965 56.287 0.106 0.000 0.918 64 K CB -0.267 32.304 32.500 0.120 0.000 1.139 64 K HN 0.176 nan 8.250 nan 0.000 0.462 65 V N 3.037 122.991 119.914 0.066 0.000 2.350 65 V HA 0.255 4.376 4.120 0.000 0.000 0.285 65 V C -0.290 175.812 176.094 0.013 0.000 1.014 65 V CA -0.727 61.592 62.300 0.032 0.000 0.831 65 V CB 1.228 33.045 31.823 -0.009 0.000 1.000 65 V HN 0.663 nan 8.190 nan 0.000 0.433 66 S N 2.938 118.676 115.700 0.063 0.000 2.542 66 S HA 0.647 5.117 4.470 0.000 0.000 0.293 66 S C 1.194 175.886 174.600 0.154 0.000 1.089 66 S CA 0.175 58.477 58.200 0.169 0.000 0.961 66 S CB 1.924 65.247 63.200 0.204 0.000 1.062 66 S HN 0.916 nan 8.310 nan 0.000 0.483 67 G N 2.112 111.098 108.800 0.310 0.000 2.534 67 G HA2 0.021 3.981 3.960 0.000 0.000 0.217 67 G HA3 0.021 3.981 3.960 0.000 0.000 0.217 67 G C 0.594 175.613 174.900 0.199 0.000 1.128 67 G CA 0.424 45.696 45.100 0.286 0.000 0.784 67 G HN 0.607 nan 8.290 nan 0.000 0.542 68 L N 0.733 122.078 121.223 0.202 0.000 2.779 68 L HA 0.297 4.637 4.340 0.000 0.000 0.239 68 L C 0.781 177.704 176.870 0.089 0.000 1.245 68 L CA 0.175 55.109 54.840 0.155 0.000 1.064 68 L CB -0.045 42.149 42.059 0.225 0.000 1.350 68 L HN 0.181 nan 8.230 nan 0.000 0.455 69 Q N -1.513 118.333 119.800 0.076 0.000 2.359 69 Q HA 0.417 4.757 4.340 0.000 0.000 0.275 69 Q C -1.189 174.812 176.000 0.002 0.000 1.082 69 Q CA -1.018 54.835 55.803 0.082 0.000 0.849 69 Q CB 1.932 30.746 28.738 0.126 0.000 1.377 69 Q HN 0.025 nan 8.270 nan 0.000 0.452 70 Y N 0.536 120.873 120.300 0.063 0.000 2.346 70 Y HA 0.170 4.720 4.550 0.000 0.000 0.330 70 Y C 0.460 176.327 175.900 -0.055 0.000 1.178 70 Y CA -0.120 57.995 58.100 0.024 0.000 1.331 70 Y CB 0.686 39.156 38.460 0.016 0.000 1.253 70 Y HN 0.153 nan 8.280 nan 0.000 0.529 71 R N 2.719 123.205 120.500 -0.024 0.000 2.575 71 R HA 0.288 4.628 4.340 0.000 0.000 0.281 71 R C -1.545 174.459 176.300 -0.495 0.000 1.272 71 R CA -0.689 55.149 56.100 -0.438 0.000 1.417 71 R CB 0.062 29.898 30.300 -0.773 0.000 1.121 71 R HN 0.406 nan 8.270 nan 0.000 0.583 72 V N 4.221 124.000 119.914 -0.225 0.000 2.389 72 V HA 0.304 4.424 4.120 0.000 0.000 0.264 72 V C 0.295 176.264 176.094 -0.208 0.000 1.049 72 V CA -0.289 61.943 62.300 -0.113 0.000 0.932 72 V CB -0.125 31.716 31.823 0.030 0.000 1.011 72 V HN 0.285 nan 8.190 nan 0.000 0.475 73 F N 3.931 123.875 119.950 -0.010 0.000 2.408 73 F HA 0.541 5.068 4.527 0.000 0.000 0.344 73 F C 0.712 176.419 175.800 -0.156 0.000 1.112 73 F CA -0.534 57.440 58.000 -0.043 0.000 1.096 73 F CB 1.209 40.137 39.000 -0.120 0.000 1.129 73 F HN 0.345 nan 8.300 nan 0.000 0.486 74 R N 3.266 123.750 120.500 -0.027 0.000 2.215 74 R HA 0.517 4.857 4.340 0.000 0.000 0.336 74 R C -1.587 174.600 176.300 -0.190 0.000 0.996 74 R CA -0.454 55.367 56.100 -0.464 0.000 0.847 74 R CB 0.855 30.920 30.300 -0.392 0.000 1.127 74 R HN 0.552 nan 8.270 nan 0.000 0.465 75 V N 6.018 125.789 119.914 -0.238 0.000 2.353 75 V HA 0.170 4.290 4.120 0.000 0.000 0.264 75 V C 0.256 176.223 176.094 -0.212 0.000 1.049 75 V CA -0.668 61.524 62.300 -0.180 0.000 0.896 75 V CB 0.860 32.542 31.823 -0.236 0.000 1.025 75 V HN 0.566 nan 8.190 nan 0.000 0.475 76 K N 5.445 125.759 120.400 -0.143 0.000 2.379 76 K HA 0.476 4.796 4.320 0.000 0.000 0.284 76 K C -0.603 175.886 176.600 -0.183 0.000 1.044 76 K CA 0.196 56.403 56.287 -0.134 0.000 0.974 76 K CB 0.852 33.307 32.500 -0.075 0.000 0.962 76 K HN 0.556 nan 8.250 nan 0.000 0.474 77 L N 5.304 126.385 121.223 -0.236 0.000 2.370 77 L HA 0.422 4.762 4.340 0.000 0.000 0.266 77 L C -2.155 174.471 176.870 -0.407 0.000 1.002 77 L CA -2.380 52.223 54.840 -0.396 0.000 0.818 77 L CB 2.248 44.021 42.059 -0.477 0.000 1.325 77 L HN 0.374 nan 8.230 nan 0.000 0.418 78 P HA -0.053 nan 4.420 nan 0.000 0.264 78 P C -0.937 176.180 177.300 -0.305 0.000 1.193 78 P CA -0.079 62.658 63.100 -0.605 0.000 0.763 78 P CB 0.571 31.555 31.700 -1.192 0.000 0.810 79 D N 5.989 126.293 120.400 -0.161 0.000 2.349 79 D HA 0.000 4.641 4.640 0.000 0.000 0.266 79 D C -1.113 175.128 176.300 -0.098 0.000 1.293 79 D CA -1.949 52.017 54.000 -0.056 0.000 0.926 79 D CB 0.499 41.310 40.800 0.019 0.000 1.090 79 D HN 0.226 nan 8.370 nan 0.000 0.502 80 P HA -0.118 nan 4.420 nan 0.000 0.229 80 P C 0.540 177.869 177.300 0.049 0.000 1.150 80 P CA 0.517 63.499 63.100 -0.196 0.000 0.765 80 P CB 0.410 31.611 31.700 -0.832 0.000 0.783 81 N N 0.377 119.079 118.700 0.003 0.000 2.376 81 N HA -0.026 4.714 4.740 0.000 0.000 0.177 81 N C 1.610 177.161 175.510 0.068 0.000 1.024 81 N CA 0.812 53.891 53.050 0.048 0.000 0.893 81 N CB -0.027 38.477 38.487 0.029 0.000 0.980 81 N HN 0.330 nan 8.380 nan 0.000 0.439 82 K N 0.199 120.644 120.400 0.076 0.000 2.005 82 K HA 0.016 4.336 4.320 0.000 0.000 0.206 82 K C 0.623 177.275 176.600 0.087 0.000 1.044 82 K CA 0.233 56.566 56.287 0.077 0.000 0.942 82 K CB -0.269 32.284 32.500 0.087 0.000 0.727 82 K HN -0.084 nan 8.250 nan 0.000 0.439 83 F N 0.922 120.771 119.950 -0.169 0.000 2.689 83 F HA -0.018 4.509 4.527 0.000 0.000 0.312 83 F C 1.125 176.604 175.800 -0.535 0.000 1.119 83 F CA 0.756 58.538 58.000 -0.364 0.000 1.329 83 F CB 0.056 38.813 39.000 -0.406 0.000 1.024 83 F HN 0.107 nan 8.300 nan 0.000 0.643 84 G N 1.355 109.704 108.800 -0.750 0.000 2.662 84 G HA2 0.594 4.554 3.960 0.000 0.000 0.302 84 G HA3 0.594 4.554 3.960 0.000 0.000 0.302 84 G C -2.012 172.419 174.900 -0.781 0.000 1.389 84 G CA -0.569 44.201 45.100 -0.550 0.000 0.998 84 G HN 0.348 nan 8.290 nan 0.000 0.502 85 F N 1.791 121.741 119.950 0.001 0.000 2.546 85 F HA 0.526 5.053 4.527 0.000 0.000 0.320 85 F C -1.114 174.678 175.800 -0.015 0.000 1.076 85 F CA -1.834 56.173 58.000 0.012 0.000 0.928 85 F CB 3.039 42.034 39.000 -0.008 0.000 1.189 85 F HN 0.338 nan 8.300 nan 0.000 0.465 86 P HA -0.066 nan 4.420 nan 0.000 0.216 86 P C 0.822 178.116 177.300 -0.009 0.000 1.154 86 P CA 1.126 64.267 63.100 0.069 0.000 0.857 86 P CB 0.261 32.010 31.700 0.082 0.000 0.787 87 D N 0.624 121.033 120.400 0.016 0.000 2.392 87 D HA -0.073 4.567 4.640 0.000 0.000 0.228 87 D C 0.654 176.734 176.300 -0.367 0.000 1.003 87 D CA 0.811 54.747 54.000 -0.107 0.000 0.917 87 D CB -0.548 40.286 40.800 0.056 0.000 0.890 87 D HN 0.164 nan 8.370 nan 0.000 0.532 88 T N -2.111 112.324 114.554 -0.198 0.000 3.341 88 T HA 0.148 4.498 4.350 0.000 0.000 0.234 88 T C 1.438 176.058 174.700 -0.134 0.000 0.890 88 T CA 0.161 62.167 62.100 -0.156 0.000 0.952 88 T CB -0.102 68.746 68.868 -0.034 0.000 1.146 88 T HN -0.006 nan 8.240 nan 0.000 0.591 89 S N 1.108 116.519 115.700 -0.481 0.000 2.425 89 S HA 0.045 4.515 4.470 0.000 0.000 0.225 89 S C 1.003 175.488 174.600 -0.192 0.000 1.024 89 S CA -0.334 57.680 58.200 -0.309 0.000 0.951 89 S CB -0.818 62.208 63.200 -0.289 0.000 0.796 89 S HN 0.662 nan 8.310 nan 0.000 0.498 90 F N 1.112 121.129 119.950 0.111 0.000 2.873 90 F HA 0.631 5.159 4.527 0.000 0.000 0.289 90 F C -0.233 175.654 175.800 0.145 0.000 1.206 90 F CA -2.368 55.688 58.000 0.093 0.000 1.401 90 F CB -1.209 37.830 39.000 0.065 0.000 0.996 90 F HN 0.220 nan 8.300 nan 0.000 0.511 91 Y N 0.856 121.224 120.300 0.113 0.000 2.396 91 Y HA 0.532 5.082 4.550 0.000 0.000 0.332 91 Y C -1.917 173.994 175.900 0.018 0.000 1.034 91 Y CA -2.331 55.811 58.100 0.070 0.000 1.057 91 Y CB 1.553 40.028 38.460 0.024 0.000 1.220 91 Y HN 0.123 nan 8.280 nan 0.000 0.440 92 D N 8.620 128.683 120.400 -0.561 0.000 2.441 92 D HA 0.401 5.041 4.640 0.000 0.000 0.231 92 D C -1.961 173.858 176.300 -0.803 0.000 1.073 92 D CA -2.600 51.077 54.000 -0.539 0.000 0.850 92 D CB 1.878 42.538 40.800 -0.233 0.000 1.062 92 D HN 0.375 nan 8.370 nan 0.000 0.524 93 P HA -0.164 nan 4.420 nan 0.000 0.223 93 P C 0.931 178.066 177.300 -0.274 0.000 1.144 93 P CA 0.621 63.388 63.100 -0.556 0.000 0.783 93 P CB 0.353 31.881 31.700 -0.285 0.000 0.771 94 A N 1.174 123.858 122.820 -0.226 0.000 1.854 94 A HA -0.112 4.208 4.320 0.000 0.000 0.214 94 A C 2.399 179.925 177.584 -0.097 0.000 1.192 94 A CA 2.350 54.312 52.037 -0.125 0.000 0.611 94 A CB -1.122 17.818 19.000 -0.100 0.000 0.832 94 A HN 0.403 nan 8.150 nan 0.000 0.442 95 S N -1.490 114.145 115.700 -0.109 0.000 2.506 95 S HA 0.190 4.660 4.470 0.000 0.000 0.219 95 S C 0.818 175.380 174.600 -0.063 0.000 1.031 95 S CA -0.334 57.829 58.200 -0.062 0.000 0.911 95 S CB -0.115 63.061 63.200 -0.040 0.000 0.812 95 S HN 0.602 nan 8.310 nan 0.000 0.497 96 Q N 0.594 120.334 119.800 -0.101 0.000 2.212 96 Q HA 0.616 4.957 4.340 0.000 0.000 0.238 96 Q C -0.384 175.586 176.000 -0.051 0.000 0.955 96 Q CA -0.774 55.011 55.803 -0.030 0.000 0.906 96 Q CB 0.841 29.630 28.738 0.084 0.000 1.215 96 Q HN 0.114 nan 8.270 nan 0.000 0.478 97 R N 0.172 120.598 120.500 -0.124 0.000 2.906 97 R HA 0.659 4.999 4.340 0.000 0.000 0.258 97 R C -1.234 174.860 176.300 -0.343 0.000 1.156 97 R CA -0.801 55.052 56.100 -0.412 0.000 0.996 97 R CB 1.108 30.678 30.300 -1.218 0.000 1.259 97 R HN 0.562 nan 8.270 nan 0.000 0.462 98 L N 0.455 121.413 121.223 -0.442 0.000 2.445 98 L HA 0.685 5.026 4.340 0.000 0.000 0.262 98 L C -0.883 175.857 176.870 -0.217 0.000 0.974 98 L CA -1.085 53.544 54.840 -0.351 0.000 0.822 98 L CB 2.502 44.296 42.059 -0.441 0.000 1.339 98 L HN 0.187 nan 8.230 nan 0.000 0.409 99 V N -0.657 119.114 119.914 -0.238 0.000 2.925 99 V HA 0.424 4.544 4.120 0.000 0.000 0.311 99 V C -1.304 174.610 176.094 -0.299 0.000 1.104 99 V CA -0.782 61.430 62.300 -0.147 0.000 0.954 99 V CB 2.260 34.046 31.823 -0.062 0.000 1.022 99 V HN 0.662 nan 8.190 nan 0.000 0.427 100 W N 1.748 122.943 121.300 -0.174 0.000 2.338 100 W HA 0.684 5.344 4.660 0.000 0.000 0.307 100 W C 0.281 176.711 176.519 -0.148 0.000 1.167 100 W CA -0.344 56.878 57.345 -0.204 0.000 1.208 100 W CB 1.439 30.671 29.460 -0.381 0.000 1.228 100 W HN 0.738 nan 8.180 nan 0.000 0.499 101 A N 4.085 127.051 122.820 0.244 0.000 2.258 101 A HA 0.423 4.743 4.320 0.000 0.000 0.316 101 A C -0.595 177.144 177.584 0.258 0.000 1.279 101 A CA -0.632 51.474 52.037 0.115 0.000 0.876 101 A CB 0.410 19.405 19.000 -0.008 0.000 1.170 101 A HN 0.761 nan 8.150 nan 0.000 0.520 102 C N 2.497 121.936 119.300 0.231 0.000 2.632 102 C HA 0.467 4.928 4.460 0.000 0.000 0.415 102 C C 1.447 176.464 174.990 0.044 0.000 1.332 102 C CA 0.721 59.863 59.018 0.206 0.000 1.874 102 C CB -0.474 27.390 27.740 0.206 0.000 2.596 102 C HN 0.868 nan 8.230 nan 0.000 0.590 103 T N 3.203 117.752 114.554 -0.009 0.000 2.955 103 T HA 0.336 4.687 4.350 0.000 0.000 0.251 103 T C 0.467 175.326 174.700 0.266 0.000 1.002 103 T CA 0.622 62.803 62.100 0.135 0.000 0.970 103 T CB 0.518 69.516 68.868 0.217 0.000 1.091 103 T HN 0.990 nan 8.240 nan 0.000 0.495 104 G N 0.838 109.691 108.800 0.088 0.000 2.734 104 G HA2 0.555 4.516 3.960 0.000 0.000 0.293 104 G HA3 0.555 4.516 3.960 0.000 0.000 0.293 104 G C -1.601 173.111 174.900 -0.313 0.000 1.422 104 G CA -0.325 44.796 45.100 0.035 0.000 1.177 104 G HN 0.117 nan 8.290 nan 0.000 0.565 105 V N 1.618 121.274 119.914 -0.431 0.000 2.667 105 V HA 0.733 4.853 4.120 0.000 0.000 0.308 105 V C -0.530 175.093 176.094 -0.786 0.000 1.048 105 V CA -0.815 61.156 62.300 -0.547 0.000 0.928 105 V CB 2.080 33.740 31.823 -0.271 0.000 1.004 105 V HN 0.704 nan 8.190 nan 0.000 0.444 106 E N 2.191 121.890 120.200 -0.834 0.000 2.302 106 E HA 0.353 4.703 4.350 0.000 0.000 0.263 106 E C -1.686 174.540 176.600 -0.624 0.000 0.897 106 E CA -0.286 55.660 56.400 -0.756 0.000 0.809 106 E CB 2.241 31.581 29.700 -0.600 0.000 1.270 106 E HN 0.396 nan 8.360 nan 0.000 0.410 107 V N 3.590 123.200 119.914 -0.507 0.000 2.218 107 V HA 0.295 4.416 4.120 0.000 0.000 0.261 107 V C 0.783 176.710 176.094 -0.279 0.000 1.142 107 V CA -0.455 61.640 62.300 -0.343 0.000 0.965 107 V CB 0.821 32.533 31.823 -0.184 0.000 1.190 107 V HN 0.625 nan 8.190 nan 0.000 0.478 108 G N 4.527 113.161 108.800 -0.277 0.000 2.441 108 G HA2 0.385 4.345 3.960 0.000 0.000 0.243 108 G HA3 0.385 4.345 3.960 0.000 0.000 0.243 108 G C -0.051 174.697 174.900 -0.254 0.000 1.281 108 G CA -0.316 44.657 45.100 -0.211 0.000 0.854 108 G HN 0.477 nan 8.290 nan 0.000 0.560 109 R N 0.717 121.087 120.500 -0.218 0.000 2.807 109 R HA 0.734 5.074 4.340 0.000 0.000 0.276 109 R C 0.048 176.239 176.300 -0.182 0.000 0.979 109 R CA -0.564 55.354 56.100 -0.303 0.000 0.928 109 R CB 2.215 32.324 30.300 -0.318 0.000 1.191 109 R HN 0.704 nan 8.270 nan 0.000 0.471 110 G N -0.041 108.648 108.800 -0.185 0.000 2.798 110 G HA2 0.543 4.503 3.960 0.000 0.000 0.286 110 G HA3 0.543 4.503 3.960 0.000 0.000 0.286 110 G C -1.358 173.506 174.900 -0.060 0.000 1.389 110 G CA -0.356 44.690 45.100 -0.090 0.000 0.894 110 G HN 0.347 nan 8.290 nan 0.000 0.488 111 Q N -1.607 118.181 119.800 -0.019 0.000 0.647 111 Q HA -0.118 4.223 4.340 0.000 0.000 0.152 111 Q C -2.680 173.324 176.000 0.008 0.000 1.120 111 Q CA 0.167 55.975 55.803 0.008 0.000 0.199 111 Q CB -1.623 27.137 28.738 0.036 0.000 5.568 111 Q HN 0.695 nan 8.270 nan 0.000 0.288 112 P HA 0.361 nan 4.420 nan 0.000 0.277 112 P C -0.309 177.002 177.300 0.019 0.000 1.240 112 P CA -0.597 62.510 63.100 0.012 0.000 0.798 112 P CB 0.525 32.231 31.700 0.009 0.000 0.979 113 L N 1.237 122.472 121.223 0.020 0.000 2.483 113 L HA 0.523 4.863 4.340 0.000 0.000 0.275 113 L C 1.358 178.238 176.870 0.018 0.000 1.220 113 L CA 1.550 56.406 54.840 0.027 0.000 0.833 113 L CB -0.342 41.734 42.059 0.028 0.000 1.102 113 L HN 0.839 nan 8.230 nan 0.000 0.490 114 G N 0.704 109.515 108.800 0.019 0.000 2.349 114 G HA2 0.561 4.521 3.960 0.000 0.000 0.294 114 G HA3 0.561 4.521 3.960 0.000 0.000 0.294 114 G C -1.789 173.109 174.900 -0.002 0.000 1.380 114 G CA -0.014 45.086 45.100 0.000 0.000 0.811 114 G HN 0.804 nan 8.290 nan 0.000 0.519 115 V N -1.871 118.030 119.914 -0.021 0.000 2.925 115 V HA 1.012 5.132 4.120 0.000 0.000 0.311 115 V C 0.564 176.633 176.094 -0.043 0.000 1.104 115 V CA 0.227 62.520 62.300 -0.011 0.000 0.954 115 V CB 1.429 33.255 31.823 0.004 0.000 1.022 115 V HN 1.821 nan 8.190 nan 0.000 0.427 116 G N 1.966 110.749 108.800 -0.029 0.000 2.531 116 G HA2 0.807 4.767 3.960 0.000 0.000 0.281 116 G HA3 0.807 4.767 3.960 0.000 0.000 0.281 116 G C -0.689 174.181 174.900 -0.049 0.000 1.382 116 G CA -0.371 44.699 45.100 -0.050 0.000 1.045 116 G HN 1.617 nan 8.290 nan 0.000 0.533 117 I N -1.545 119.000 120.570 -0.041 0.000 2.739 117 I HA 0.456 4.626 4.170 0.000 0.000 0.288 117 I C -1.618 174.451 176.117 -0.080 0.000 1.582 117 I CA -0.488 60.750 61.300 -0.104 0.000 1.035 117 I CB 1.592 39.557 38.000 -0.059 0.000 1.432 117 I HN 0.520 nan 8.210 nan 0.000 0.444 118 S N 4.400 119.916 115.700 -0.306 0.000 2.540 118 S HA 0.974 5.444 4.470 0.000 0.000 0.275 118 S C -0.283 174.107 174.600 -0.350 0.000 1.123 118 S CA -0.312 57.641 58.200 -0.413 0.000 0.907 118 S CB 1.970 64.860 63.200 -0.516 0.000 1.081 118 S HN 1.077 nan 8.310 nan 0.000 0.476 119 G N 0.571 109.151 108.800 -0.367 0.000 2.815 119 G HA2 0.682 4.643 3.960 0.000 0.000 0.305 119 G HA3 0.682 4.643 3.960 0.000 0.000 0.305 119 G C -1.947 172.881 174.900 -0.121 0.000 1.277 119 G CA -0.410 44.583 45.100 -0.178 0.000 0.795 119 G HN 0.712 nan 8.290 nan 0.000 0.528 120 H N -0.259 118.717 119.070 -0.157 0.000 3.212 120 H HA 0.260 4.816 4.556 0.000 0.000 0.306 120 H C -2.444 172.839 175.328 -0.074 0.000 1.198 120 H CA -0.848 55.128 56.048 -0.119 0.000 1.532 120 H CB 2.388 32.070 29.762 -0.133 0.000 2.133 120 H HN 0.143 nan 8.280 nan 0.000 0.395 121 P HA -0.112 nan 4.420 nan 0.000 0.216 121 P C 0.549 177.969 177.300 0.199 0.000 1.154 121 P CA 1.383 64.559 63.100 0.126 0.000 0.865 121 P CB 0.329 32.053 31.700 0.040 0.000 0.789 122 L N -1.412 120.081 121.223 0.450 0.000 2.935 122 L HA 0.266 4.607 4.340 0.000 0.000 0.243 122 L C 0.077 176.814 176.870 -0.221 0.000 1.313 122 L CA -0.926 54.003 54.840 0.148 0.000 0.969 122 L CB 0.169 42.313 42.059 0.141 0.000 1.320 122 L HN -0.059 nan 8.230 nan 0.000 0.511 123 L N 0.443 121.504 121.223 -0.270 0.000 2.397 123 L HA 0.277 4.617 4.340 0.000 0.000 0.271 123 L C 0.497 177.204 176.870 -0.272 0.000 1.148 123 L CA 0.240 54.805 54.840 -0.458 0.000 0.825 123 L CB 0.681 42.571 42.059 -0.282 0.000 1.117 123 L HN 0.233 nan 8.230 nan 0.000 0.456 124 N N 4.467 122.994 118.700 -0.288 0.000 2.508 124 N HA 0.182 4.923 4.740 0.000 0.000 0.253 124 N C -1.219 174.238 175.510 -0.088 0.000 1.145 124 N CA -0.119 52.831 53.050 -0.168 0.000 0.973 124 N CB 0.035 38.412 38.487 -0.185 0.000 1.305 124 N HN 0.579 nan 8.380 nan 0.000 0.506 125 K N 4.494 124.878 120.400 -0.027 0.000 2.471 125 K HA 0.189 4.509 4.320 0.000 0.000 0.252 125 K C -0.555 176.101 176.600 0.094 0.000 0.938 125 K CA -0.615 55.720 56.287 0.080 0.000 0.796 125 K CB 1.455 33.867 32.500 -0.148 0.000 1.161 125 K HN 0.335 nan 8.250 nan 0.000 0.425 126 L N 3.113 124.444 121.223 0.181 0.000 2.121 126 L HA 0.225 4.565 4.340 0.000 0.000 0.200 126 L C -0.405 176.564 176.870 0.165 0.000 1.132 126 L CA 1.723 56.649 54.840 0.144 0.000 0.782 126 L CB -0.189 41.958 42.059 0.147 0.000 0.940 126 L HN 0.866 nan 8.230 nan 0.000 0.458 127 D N -1.696 118.837 120.400 0.222 0.000 2.547 127 D HA 0.275 4.916 4.640 0.000 0.000 0.231 127 D C -1.387 175.104 176.300 0.317 0.000 1.099 127 D CA -0.562 53.578 54.000 0.232 0.000 0.901 127 D CB 0.642 41.535 40.800 0.154 0.000 1.478 127 D HN 0.069 nan 8.370 nan 0.000 0.471 128 D N -0.219 120.339 120.400 0.263 0.000 2.359 128 D HA 0.156 4.796 4.640 0.000 0.000 0.250 128 D C 0.526 176.800 176.300 -0.043 0.000 1.264 128 D CA -0.218 53.803 54.000 0.035 0.000 0.911 128 D CB 0.371 41.180 40.800 0.016 0.000 1.056 128 D HN 0.370 nan 8.370 nan 0.000 0.499 129 T N 0.232 114.736 114.554 -0.083 0.000 3.312 129 T HA 0.086 4.436 4.350 0.000 0.000 0.251 129 T C 1.194 175.790 174.700 -0.173 0.000 1.012 129 T CA -0.377 61.681 62.100 -0.070 0.000 0.925 129 T CB 0.102 68.969 68.868 -0.002 0.000 1.049 129 T HN 0.496 nan 8.240 nan 0.000 0.583 130 E N 1.618 121.685 120.200 -0.221 0.000 2.112 130 E HA -0.049 4.301 4.350 0.000 0.000 0.190 130 E C 0.566 177.075 176.600 -0.152 0.000 0.979 130 E CA 0.526 56.792 56.400 -0.223 0.000 0.814 130 E CB 0.228 29.756 29.700 -0.286 0.000 0.762 130 E HN 0.460 nan 8.360 nan 0.000 0.460 131 N N 0.117 118.745 118.700 -0.119 0.000 2.785 131 N HA 0.008 4.748 4.740 0.000 0.000 0.224 131 N C -1.632 173.850 175.510 -0.045 0.000 1.448 131 N CA -0.066 52.937 53.050 -0.078 0.000 0.748 131 N CB 0.763 39.201 38.487 -0.082 0.000 1.385 131 N HN 0.019 nan 8.380 nan 0.000 0.538 132 S N 0.582 116.267 115.700 -0.025 0.000 2.576 132 S HA 0.169 4.639 4.470 0.000 0.000 0.272 132 S C 1.233 175.842 174.600 0.015 0.000 1.352 132 S CA 0.074 58.280 58.200 0.010 0.000 1.021 132 S CB 0.483 63.706 63.200 0.039 0.000 0.887 132 S HN 0.523 nan 8.310 nan 0.000 0.542 133 N N 1.889 120.604 118.700 0.027 0.000 2.124 133 N HA 0.048 4.788 4.740 0.000 0.000 0.188 133 N C 0.461 175.992 175.510 0.036 0.000 1.045 133 N CA 0.598 53.663 53.050 0.024 0.000 0.846 133 N CB -0.013 38.488 38.487 0.023 0.000 1.020 133 N HN 0.447 nan 8.380 nan 0.000 0.432 134 K N -0.478 119.953 120.400 0.052 0.000 1.790 134 K HA 0.233 4.554 4.320 0.000 0.000 0.263 134 K C -1.486 175.199 176.600 0.143 0.000 0.838 134 K CA -0.572 55.762 56.287 0.078 0.000 0.662 134 K CB -0.000 32.528 32.500 0.047 0.000 2.216 134 K HN -0.017 nan 8.250 nan 0.000 0.769 135 Y N 1.635 121.945 120.300 0.017 0.000 2.363 135 Y HA 0.442 4.992 4.550 0.000 0.000 0.325 135 Y C -1.251 174.660 175.900 0.019 0.000 0.984 135 Y CA -0.871 57.240 58.100 0.019 0.000 1.248 135 Y CB 0.772 39.242 38.460 0.017 0.000 1.116 135 Y HN 0.114 nan 8.280 nan 0.000 0.470 136 V N 6.334 125.940 119.914 -0.512 0.000 2.481 136 V HA 0.611 4.731 4.120 0.000 0.000 0.286 136 V C 1.131 176.790 176.094 -0.726 0.000 1.042 136 V CA -0.193 61.812 62.300 -0.491 0.000 0.928 136 V CB 1.135 32.840 31.823 -0.197 0.000 0.986 136 V HN 1.002 nan 8.190 nan 0.000 0.462 137 G N 3.093 111.542 108.800 -0.586 0.000 2.504 137 G HA2 -0.044 3.916 3.960 0.000 0.000 0.291 137 G HA3 -0.044 3.916 3.960 0.000 0.000 0.291 137 G C 0.097 174.915 174.900 -0.137 0.000 1.345 137 G CA -0.454 44.417 45.100 -0.381 0.000 1.090 137 G HN 0.776 nan 8.290 nan 0.000 0.591 138 N N 0.284 118.979 118.700 -0.009 0.000 2.414 138 N HA 0.220 4.960 4.740 0.000 0.000 0.268 138 N C 0.969 176.480 175.510 0.001 0.000 1.286 138 N CA 0.484 53.550 53.050 0.026 0.000 0.896 138 N CB 0.785 39.297 38.487 0.041 0.000 1.093 138 N HN 0.651 nan 8.380 nan 0.000 0.480 139 S N 1.179 116.885 115.700 0.010 0.000 2.647 139 S HA 0.397 4.867 4.470 0.000 0.000 0.251 139 S C 1.030 175.634 174.600 0.008 0.000 1.320 139 S CA -0.068 58.136 58.200 0.005 0.000 0.968 139 S CB 0.307 63.518 63.200 0.018 0.000 1.005 139 S HN 0.491 nan 8.310 nan 0.000 0.576 140 G N -0.963 107.841 108.800 0.007 0.000 3.410 140 G HA2 0.550 4.510 3.960 0.000 0.000 0.189 140 G HA3 0.550 4.510 3.960 0.000 0.000 0.189 140 G C -0.908 173.997 174.900 0.008 0.000 1.404 140 G CA -0.359 44.745 45.100 0.007 0.000 0.898 140 G HN 0.777 nan 8.290 nan 0.000 0.650 141 T N 0.857 115.415 114.554 0.006 0.000 2.841 141 T HA 0.488 4.838 4.350 0.000 0.000 0.285 141 T C -1.240 173.463 174.700 0.005 0.000 0.991 141 T CA 0.368 62.471 62.100 0.005 0.000 0.966 141 T CB 1.430 70.301 68.868 0.004 0.000 0.962 141 T HN 0.646 nan 8.240 nan 0.000 0.438 142 D N 2.734 123.136 120.400 0.003 0.000 3.515 142 D HA -0.137 4.503 4.640 0.000 0.000 0.247 142 D C -0.267 176.036 176.300 0.004 0.000 1.084 142 D CA 0.311 54.312 54.000 0.001 0.000 1.030 142 D CB -1.104 39.697 40.800 0.003 0.000 0.946 142 D HN 0.592 nan 8.370 nan 0.000 0.420 143 N N 1.372 120.075 118.700 0.004 0.000 2.321 143 N HA 0.176 4.916 4.740 0.000 0.000 0.242 143 N C 0.096 175.608 175.510 0.004 0.000 1.141 143 N CA -0.391 52.665 53.050 0.010 0.000 0.864 143 N CB 0.545 39.044 38.487 0.021 0.000 1.100 143 N HN 0.280 nan 8.380 nan 0.000 0.510 144 R N 1.183 121.678 120.500 -0.008 0.000 2.531 144 R HA 0.328 4.668 4.340 0.000 0.000 0.273 144 R C 0.150 176.439 176.300 -0.018 0.000 1.070 144 R CA -0.084 55.999 56.100 -0.029 0.000 1.112 144 R CB 0.669 30.945 30.300 -0.041 0.000 1.049 144 R HN 0.374 nan 8.270 nan 0.000 0.508 145 E N 0.125 120.306 120.200 -0.032 0.000 2.430 145 E HA 0.198 4.549 4.350 0.000 0.000 0.279 145 E C -1.372 175.219 176.600 -0.015 0.000 1.003 145 E CA -0.996 55.396 56.400 -0.013 0.000 0.801 145 E CB 1.226 30.921 29.700 -0.008 0.000 1.313 145 E HN 0.439 nan 8.360 nan 0.000 0.459 146 C N 1.952 121.255 119.300 0.005 0.000 2.499 146 C HA 0.618 5.078 4.460 0.000 0.000 0.386 146 C C -0.280 174.704 174.990 -0.011 0.000 1.293 146 C CA 0.010 59.038 59.018 0.016 0.000 1.884 146 C CB -1.625 26.131 27.740 0.026 0.000 2.509 146 C HN 0.540 nan 8.230 nan 0.000 0.566 147 I N 6.052 126.608 120.570 -0.024 0.000 2.644 147 I HA 0.334 4.504 4.170 0.000 0.000 0.291 147 I C 0.110 176.200 176.117 -0.046 0.000 1.180 147 I CA 0.092 61.363 61.300 -0.048 0.000 1.040 147 I CB 2.393 40.330 38.000 -0.105 0.000 1.255 147 I HN 0.775 nan 8.210 nan 0.000 0.422 148 S N 6.793 122.463 115.700 -0.050 0.000 2.767 148 S HA 0.958 5.428 4.470 0.000 0.000 0.300 148 S C -0.482 174.068 174.600 -0.083 0.000 1.123 148 S CA -0.677 57.476 58.200 -0.078 0.000 0.992 148 S CB 2.320 65.485 63.200 -0.059 0.000 1.138 148 S HN 0.714 nan 8.310 nan 0.000 0.550 149 M N -0.044 119.476 119.600 -0.133 0.000 2.724 149 M HA 0.368 4.849 4.480 0.000 0.000 0.280 149 M C -2.736 173.419 176.300 -0.242 0.000 1.090 149 M CA -0.656 54.567 55.300 -0.130 0.000 0.838 149 M CB 1.824 34.411 32.600 -0.021 0.000 1.729 149 M HN 0.829 nan 8.290 nan 0.000 0.530 150 D N 2.077 122.380 120.400 -0.163 0.000 2.308 150 D HA 0.441 5.081 4.640 0.000 0.000 0.242 150 D C -1.087 175.185 176.300 -0.047 0.000 1.059 150 D CA -0.252 53.657 54.000 -0.152 0.000 0.830 150 D CB 1.594 42.346 40.800 -0.080 0.000 1.161 150 D HN 0.707 nan 8.370 nan 0.000 0.494 151 Y N 0.630 120.953 120.300 0.039 0.000 2.330 151 Y HA 0.057 4.608 4.550 0.000 0.000 0.387 151 Y C 1.505 177.414 175.900 0.015 0.000 1.365 151 Y CA -0.946 57.186 58.100 0.054 0.000 1.828 151 Y CB 0.745 39.267 38.460 0.102 0.000 1.696 151 Y HN 0.299 nan 8.280 nan 0.000 0.616 152 K N 1.599 122.136 120.400 0.229 0.000 2.237 152 K HA 0.060 4.380 4.320 0.000 0.000 0.270 152 K C -0.731 175.942 176.600 0.121 0.000 1.015 152 K CA -0.551 55.805 56.287 0.114 0.000 0.949 152 K CB 0.816 33.369 32.500 0.088 0.000 0.976 152 K HN 0.660 nan 8.250 nan 0.000 0.472 153 Q N 2.839 122.695 119.800 0.095 0.000 2.278 153 Q HA 0.244 4.584 4.340 0.000 0.000 0.257 153 Q C -1.385 174.671 176.000 0.095 0.000 0.928 153 Q CA -0.384 55.477 55.803 0.097 0.000 0.932 153 Q CB 1.478 30.263 28.738 0.080 0.000 1.221 153 Q HN 0.677 nan 8.270 nan 0.000 0.434 154 T N 3.305 117.921 114.554 0.103 0.000 2.906 154 T HA 0.458 4.809 4.350 0.000 0.000 0.295 154 T C -1.062 173.698 174.700 0.099 0.000 1.075 154 T CA -0.774 61.388 62.100 0.103 0.000 1.005 154 T CB 1.816 70.756 68.868 0.121 0.000 1.136 154 T HN 0.642 nan 8.240 nan 0.000 0.498 155 Q N 1.581 121.430 119.800 0.082 0.000 2.406 155 Q HA 0.513 4.853 4.340 0.000 0.000 0.244 155 Q C -1.423 174.629 176.000 0.086 0.000 0.884 155 Q CA -0.564 55.275 55.803 0.060 0.000 0.813 155 Q CB 1.556 30.199 28.738 -0.158 0.000 1.368 155 Q HN 0.653 nan 8.270 nan 0.000 0.439 156 L N -1.447 119.926 121.223 0.250 0.000 2.283 156 L HA 1.023 5.363 4.340 0.000 0.000 0.259 156 L C -1.033 176.105 176.870 0.446 0.000 1.027 156 L CA -0.816 54.189 54.840 0.275 0.000 0.828 156 L CB 2.536 44.754 42.059 0.265 0.000 1.380 156 L HN 0.573 nan 8.230 nan 0.000 0.425 157 C N 2.372 121.907 119.300 0.392 0.000 3.226 157 C HA 0.588 5.048 4.460 0.000 0.000 0.365 157 C C -0.939 174.291 174.990 0.400 0.000 1.027 157 C CA -0.626 58.670 59.018 0.463 0.000 1.319 157 C CB -0.646 27.459 27.740 0.608 0.000 1.718 157 C HN 0.798 nan 8.230 nan 0.000 0.554 158 L N 5.345 126.771 121.223 0.339 0.000 2.309 158 L HA 0.737 5.077 4.340 0.000 0.000 0.282 158 L C -0.214 176.834 176.870 0.297 0.000 1.036 158 L CA -0.617 54.406 54.840 0.305 0.000 0.806 158 L CB 0.955 43.097 42.059 0.138 0.000 1.220 158 L HN 0.294 nan 8.230 nan 0.000 0.429 159 I N 2.697 123.476 120.570 0.350 0.000 2.405 159 I HA 0.568 4.738 4.170 0.000 0.000 0.280 159 I C 0.533 176.572 176.117 -0.130 0.000 1.027 159 I CA -0.016 61.462 61.300 0.296 0.000 1.161 159 I CB 0.577 38.881 38.000 0.507 0.000 1.300 159 I HN 0.776 nan 8.210 nan 0.000 0.463 160 G N 3.446 112.068 108.800 -0.298 0.000 2.816 160 G HA2 0.443 4.403 3.960 0.000 0.000 0.288 160 G HA3 0.443 4.403 3.960 0.000 0.000 0.288 160 G C 0.409 175.178 174.900 -0.219 0.000 1.334 160 G CA -0.390 44.214 45.100 -0.827 0.000 0.978 160 G HN 0.642 nan 8.290 nan 0.000 0.493 161 C N -1.206 118.039 119.300 -0.091 0.000 2.906 161 C HA 0.565 5.026 4.460 0.000 0.000 0.274 161 C C 0.623 175.741 174.990 0.212 0.000 1.257 161 C CA -0.734 58.444 59.018 0.267 0.000 1.695 161 C CB -1.122 26.858 27.740 0.399 0.000 1.958 161 C HN 0.417 nan 8.230 nan 0.000 0.619 162 R N 1.613 122.056 120.500 -0.096 0.000 2.803 162 R HA 0.542 4.882 4.340 0.000 0.000 0.276 162 R C -2.986 172.775 176.300 -0.900 0.000 0.978 162 R CA -1.672 54.176 56.100 -0.419 0.000 0.939 162 R CB 1.455 31.616 30.300 -0.232 0.000 1.179 162 R HN 0.127 nan 8.270 nan 0.000 0.472 163 P HA 0.138 nan 4.420 nan 0.000 0.276 163 P C -2.412 174.536 177.300 -0.587 0.000 1.235 163 P CA -1.331 61.038 63.100 -1.217 0.000 0.772 163 P CB 0.385 31.356 31.700 -1.214 0.000 0.871 164 P HA 0.151 nan 4.420 nan 0.000 0.272 164 P C 0.075 177.181 177.300 -0.323 0.000 1.240 164 P CA -0.107 62.793 63.100 -0.333 0.000 0.791 164 P CB 0.732 32.263 31.700 -0.282 0.000 0.978 165 I N -2.165 118.232 120.570 -0.289 0.000 2.676 165 I HA 0.815 4.985 4.170 0.000 0.000 0.309 165 I C -0.017 175.934 176.117 -0.277 0.000 0.990 165 I CA -0.888 60.256 61.300 -0.261 0.000 1.168 165 I CB 1.822 39.698 38.000 -0.206 0.000 1.343 165 I HN 0.329 nan 8.210 nan 0.000 0.482 166 G N 2.969 111.628 108.800 -0.235 0.000 2.498 166 G HA2 0.653 4.613 3.960 0.000 0.000 0.312 166 G HA3 0.653 4.613 3.960 0.000 0.000 0.312 166 G C -1.583 173.259 174.900 -0.097 0.000 1.230 166 G CA -0.706 44.272 45.100 -0.204 0.000 0.968 166 G HN 0.870 nan 8.290 nan 0.000 0.481 167 E N 0.031 120.209 120.200 -0.037 0.000 2.248 167 E HA 0.625 4.975 4.350 0.000 0.000 0.267 167 E C -0.841 175.765 176.600 0.010 0.000 0.877 167 E CA -1.012 55.349 56.400 -0.065 0.000 0.759 167 E CB 2.066 31.695 29.700 -0.117 0.000 1.182 167 E HN 0.736 nan 8.360 nan 0.000 0.418 168 H N 0.854 119.824 119.070 -0.167 0.000 2.990 168 H HA 0.369 4.925 4.556 0.000 0.000 0.343 168 H C -1.644 173.563 175.328 -0.202 0.000 1.270 168 H CA -1.321 54.653 56.048 -0.124 0.000 1.118 168 H CB 0.729 30.496 29.762 0.008 0.000 1.861 168 H HN 0.640 nan 8.280 nan 0.000 0.544 169 W N 0.777 122.101 121.300 0.040 0.000 2.390 169 W HA 0.580 5.241 4.660 0.000 0.000 0.312 169 W C 0.356 176.866 176.519 -0.015 0.000 1.123 169 W CA -0.202 57.104 57.345 -0.065 0.000 1.202 169 W CB 1.987 31.426 29.460 -0.034 0.000 1.251 169 W HN 0.861 nan 8.180 nan 0.000 0.511 170 G N 1.885 110.781 108.800 0.160 0.000 2.730 170 G HA2 0.418 4.379 3.960 0.000 0.000 0.289 170 G HA3 0.418 4.379 3.960 0.000 0.000 0.289 170 G C -1.650 173.316 174.900 0.109 0.000 1.341 170 G CA -1.204 43.969 45.100 0.121 0.000 0.932 170 G HN 0.301 nan 8.290 nan 0.000 0.481 171 K N 0.141 120.591 120.400 0.083 0.000 2.383 171 K HA 0.435 4.755 4.320 0.000 0.000 0.286 171 K C 0.672 177.300 176.600 0.048 0.000 1.051 171 K CA 0.023 56.344 56.287 0.057 0.000 0.974 171 K CB 0.157 32.684 32.500 0.044 0.000 0.968 171 K HN 0.530 nan 8.250 nan 0.000 0.475 172 G N 2.154 110.982 108.800 0.047 0.000 2.488 172 G HA2 0.251 4.211 3.960 0.000 0.000 0.318 172 G HA3 0.251 4.211 3.960 0.000 0.000 0.318 172 G C -0.873 174.042 174.900 0.025 0.000 1.188 172 G CA -0.633 44.489 45.100 0.037 0.000 0.944 172 G HN 0.586 nan 8.290 nan 0.000 0.495 173 T N 2.793 117.359 114.554 0.020 0.000 2.771 173 T HA 0.465 4.816 4.350 0.000 0.000 0.291 173 T C -1.629 173.079 174.700 0.013 0.000 0.954 173 T CA -0.648 61.461 62.100 0.015 0.000 1.045 173 T CB 1.424 70.299 68.868 0.012 0.000 0.917 173 T HN 0.484 nan 8.240 nan 0.000 0.484 174 P HA 0.207 nan 4.420 nan 0.000 0.271 174 P C -0.133 177.172 177.300 0.009 0.000 1.244 174 P CA -0.535 62.571 63.100 0.010 0.000 0.793 174 P CB 0.464 32.168 31.700 0.007 0.000 0.984 175 S N -0.268 115.437 115.700 0.008 0.000 2.672 175 S HA 0.127 4.597 4.470 0.000 0.000 0.276 175 S C 0.562 175.165 174.600 0.005 0.000 1.207 175 S CA -0.900 57.304 58.200 0.007 0.000 1.002 175 S CB 0.169 63.374 63.200 0.007 0.000 0.998 175 S HN 0.494 nan 8.310 nan 0.000 0.542 176 N N 1.510 120.212 118.700 0.005 0.000 2.309 176 N HA 0.126 4.866 4.740 0.000 0.000 0.293 176 N C 0.039 175.551 175.510 0.003 0.000 1.327 176 N CA 0.697 53.749 53.050 0.004 0.000 1.054 176 N CB -0.962 37.527 38.487 0.003 0.000 1.474 176 N HN 0.791 nan 8.380 nan 0.000 0.486 177 A N 3.240 126.062 122.820 0.003 0.000 5.519 177 A HA 0.313 4.633 4.320 0.000 0.000 0.158 177 A C -0.628 176.958 177.584 0.003 0.000 0.860 177 A CA -0.577 51.461 52.037 0.003 0.000 1.134 177 A CB 0.159 19.161 19.000 0.003 0.000 2.248 177 A HN 0.503 nan 8.150 nan 0.000 1.056 178 N N 1.331 120.033 118.700 0.002 0.000 2.444 178 N HA 0.363 5.103 4.740 0.000 0.000 0.255 178 N C -0.161 175.351 175.510 0.002 0.000 1.255 178 N CA -0.045 53.006 53.050 0.002 0.000 0.933 178 N CB 0.361 38.849 38.487 0.002 0.000 1.143 178 N HN 0.569 nan 8.380 nan 0.000 0.453 179 Q N 1.465 121.266 119.800 0.002 0.000 2.314 179 Q HA 0.157 4.497 4.340 0.000 0.000 0.257 179 Q C -0.990 175.011 176.000 0.002 0.000 0.975 179 Q CA -0.592 55.213 55.803 0.002 0.000 0.933 179 Q CB 0.529 29.268 28.738 0.002 0.000 1.195 179 Q HN 0.443 nan 8.270 nan 0.000 0.426 180 V N 6.593 126.509 119.914 0.002 0.000 2.304 180 V HA -0.052 4.068 4.120 0.000 0.000 0.239 180 V C 0.797 176.892 176.094 0.002 0.000 1.201 180 V CA -0.101 62.200 62.300 0.002 0.000 1.254 180 V CB -1.359 30.466 31.823 0.002 0.000 1.335 180 V HN 0.623 nan 8.190 nan 0.000 0.491 181 K N 3.234 123.634 120.400 0.001 0.000 2.336 181 K HA 0.366 4.687 4.320 0.000 0.000 0.262 181 K C 0.315 176.916 176.600 0.000 0.000 0.992 181 K CA 0.245 56.532 56.287 0.001 0.000 0.927 181 K CB 0.546 33.047 32.500 0.001 0.000 0.956 181 K HN 0.491 nan 8.250 nan 0.000 0.495 182 A N 0.603 123.423 122.820 0.001 0.000 2.561 182 A HA 0.391 4.711 4.320 0.000 0.000 0.234 182 A C 1.308 178.891 177.584 -0.001 0.000 1.055 182 A CA 0.988 53.025 52.037 0.000 0.000 0.756 182 A CB -0.913 18.087 19.000 0.001 0.000 0.986 182 A HN 1.295 nan 8.150 nan 0.000 0.505 183 G N 0.885 109.683 108.800 -0.002 0.000 2.784 183 G HA2 -0.167 3.794 3.960 0.000 0.000 0.204 183 G HA3 -0.167 3.794 3.960 0.000 0.000 0.204 183 G C 0.233 175.130 174.900 -0.006 0.000 1.300 183 G CA 0.128 45.226 45.100 -0.004 0.000 0.863 183 G HN 0.854 nan 8.290 nan 0.000 0.541 184 E N 0.433 120.630 120.200 -0.005 0.000 2.516 184 E HA 0.189 4.539 4.350 0.000 0.000 0.270 184 E C 0.556 177.151 176.600 -0.009 0.000 1.130 184 E CA 0.326 56.722 56.400 -0.006 0.000 1.023 184 E CB 0.380 30.077 29.700 -0.004 0.000 1.004 184 E HN 0.729 nan 8.360 nan 0.000 0.463 185 C N 4.608 123.901 119.300 -0.013 0.000 2.281 185 C HA 0.343 4.803 4.460 0.000 0.000 0.336 185 C C -1.979 173.002 174.990 -0.015 0.000 1.217 185 C CA -1.738 57.269 59.018 -0.018 0.000 1.730 185 C CB -0.676 27.049 27.740 -0.025 0.000 2.338 185 C HN 0.381 nan 8.230 nan 0.000 0.521 186 P HA 0.270 nan 4.420 nan 0.000 0.271 186 P C -2.521 174.777 177.300 -0.004 0.000 1.216 186 P CA -0.762 62.336 63.100 -0.003 0.000 0.771 186 P CB 0.382 32.084 31.700 0.004 0.000 0.864 187 P HA 0.111 nan 4.420 nan 0.000 0.269 187 P C -0.645 176.672 177.300 0.027 0.000 1.215 187 P CA -0.112 62.991 63.100 0.005 0.000 0.780 187 P CB 0.563 32.272 31.700 0.015 0.000 0.898 188 L N 1.820 123.065 121.223 0.035 0.000 2.322 188 L HA 0.471 4.811 4.340 0.000 0.000 0.279 188 L C 0.691 177.703 176.870 0.238 0.000 1.036 188 L CA -0.245 54.659 54.840 0.108 0.000 0.807 188 L CB 0.338 42.383 42.059 -0.023 0.000 1.226 188 L HN 0.542 nan 8.230 nan 0.000 0.433 189 E N 1.715 122.075 120.200 0.266 0.000 2.234 189 E HA 0.323 4.674 4.350 0.000 0.000 0.266 189 E C -1.386 175.246 176.600 0.053 0.000 0.877 189 E CA -0.962 55.544 56.400 0.176 0.000 0.758 189 E CB 2.378 32.111 29.700 0.054 0.000 1.170 189 E HN 0.384 nan 8.360 nan 0.000 0.415 190 L N 5.730 126.847 121.223 -0.176 0.000 2.456 190 L HA 0.278 4.618 4.340 0.000 0.000 0.277 190 L C -1.195 175.432 176.870 -0.405 0.000 1.124 190 L CA 0.491 54.972 54.840 -0.599 0.000 0.880 190 L CB 0.050 41.688 42.059 -0.702 0.000 1.192 190 L HN 0.479 nan 8.230 nan 0.000 0.463 191 L N 4.754 125.679 121.223 -0.496 0.000 2.333 191 L HA 0.556 4.897 4.340 0.000 0.000 0.269 191 L C -0.157 176.541 176.870 -0.288 0.000 1.010 191 L CA -0.902 53.717 54.840 -0.369 0.000 0.818 191 L CB 1.660 43.469 42.059 -0.416 0.000 1.306 191 L HN 0.522 nan 8.230 nan 0.000 0.430 192 N N 0.422 119.025 118.700 -0.162 0.000 2.492 192 N HA 0.546 5.287 4.740 0.000 0.000 0.289 192 N C -0.531 174.953 175.510 -0.044 0.000 1.133 192 N CA -0.176 52.809 53.050 -0.107 0.000 0.961 192 N CB 2.182 40.609 38.487 -0.101 0.000 1.186 192 N HN 0.640 nan 8.380 nan 0.000 0.493 193 T N -1.721 112.807 114.554 -0.043 0.000 2.821 193 T HA 0.368 4.718 4.350 0.000 0.000 0.306 193 T C -1.302 173.316 174.700 -0.136 0.000 1.313 193 T CA -0.597 61.479 62.100 -0.040 0.000 1.012 193 T CB 0.770 69.657 68.868 0.031 0.000 1.298 193 T HN 0.021 nan 8.240 nan 0.000 0.502 194 V N 3.730 123.534 119.914 -0.184 0.000 2.461 194 V HA 0.372 4.493 4.120 0.000 0.000 0.275 194 V C 0.376 176.316 176.094 -0.256 0.000 1.047 194 V CA -0.531 61.583 62.300 -0.311 0.000 0.955 194 V CB 0.780 32.216 31.823 -0.646 0.000 0.988 194 V HN 0.738 nan 8.190 nan 0.000 0.471 195 L N 6.402 127.456 121.223 -0.280 0.000 2.418 195 L HA 0.279 4.620 4.340 0.000 0.000 0.274 195 L C 0.311 177.142 176.870 -0.065 0.000 1.135 195 L CA 0.478 55.140 54.840 -0.297 0.000 0.870 195 L CB 0.171 41.939 42.059 -0.485 0.000 1.154 195 L HN 0.666 nan 8.230 nan 0.000 0.462 196 Q N 2.051 121.865 119.800 0.024 0.000 2.387 196 Q HA 0.228 4.568 4.340 0.000 0.000 0.273 196 Q C -0.803 175.309 176.000 0.187 0.000 1.089 196 Q CA -0.963 54.988 55.803 0.247 0.000 0.824 196 Q CB 2.404 31.228 28.738 0.143 0.000 1.367 196 Q HN 0.476 nan 8.270 nan 0.000 0.443 197 D N 0.378 120.936 120.400 0.264 0.000 2.531 197 D HA -0.002 4.638 4.640 0.000 0.000 0.239 197 D C 0.520 176.898 176.300 0.130 0.000 1.144 197 D CA 1.943 56.043 54.000 0.168 0.000 0.869 197 D CB 0.437 41.341 40.800 0.173 0.000 1.160 197 D HN 0.818 nan 8.370 nan 0.000 0.484 198 G N 3.612 112.498 108.800 0.143 0.000 2.179 198 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 198 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 198 G C 0.245 175.235 174.900 0.150 0.000 0.990 198 G CA -0.003 45.175 45.100 0.129 0.000 0.646 198 G HN 0.602 nan 8.290 nan 0.000 0.517 199 D N 0.424 120.939 120.400 0.191 0.000 2.363 199 D HA 0.463 5.103 4.640 0.000 0.000 0.240 199 D C 1.021 177.524 176.300 0.339 0.000 1.236 199 D CA 0.197 54.326 54.000 0.214 0.000 0.927 199 D CB 0.348 41.218 40.800 0.117 0.000 1.150 199 D HN 0.010 nan 8.370 nan 0.000 0.458 200 M N 0.939 120.711 119.600 0.285 0.000 2.264 200 M HA 0.211 4.691 4.480 0.000 0.000 0.352 200 M C -0.075 176.437 176.300 0.353 0.000 1.173 200 M CA -0.904 54.544 55.300 0.246 0.000 1.075 200 M CB 1.133 33.818 32.600 0.142 0.000 1.621 200 M HN 0.061 nan 8.290 nan 0.000 0.457 201 V N 0.454 120.458 119.914 0.150 0.000 3.336 201 V HA 0.366 4.486 4.120 0.000 0.000 0.304 201 V C -0.011 176.190 176.094 0.179 0.000 1.073 201 V CA -1.164 61.215 62.300 0.131 0.000 1.074 201 V CB 0.292 32.075 31.823 -0.066 0.000 1.161 201 V HN 0.909 nan 8.190 nan 0.000 0.460 202 D N -0.439 120.107 120.400 0.242 0.000 2.382 202 D HA 0.257 4.897 4.640 0.000 0.000 0.245 202 D C 0.864 177.217 176.300 0.089 0.000 1.120 202 D CA 0.238 54.368 54.000 0.216 0.000 0.890 202 D CB 1.197 42.163 40.800 0.276 0.000 1.201 202 D HN 0.817 nan 8.370 nan 0.000 0.433 203 T N -1.144 113.409 114.554 -0.002 0.000 3.040 203 T HA 0.408 4.758 4.350 0.000 0.000 0.250 203 T C 1.484 176.180 174.700 -0.008 0.000 1.058 203 T CA 0.100 62.081 62.100 -0.198 0.000 0.988 203 T CB 0.122 68.358 68.868 -1.053 0.000 0.993 203 T HN 0.976 nan 8.240 nan 0.000 0.519 204 G N 0.738 109.575 108.800 0.061 0.000 2.260 204 G HA2 -0.103 3.858 3.960 0.000 0.000 0.179 204 G HA3 -0.103 3.858 3.960 0.000 0.000 0.179 204 G C 0.159 174.950 174.900 -0.182 0.000 1.002 204 G CA -0.260 44.812 45.100 -0.047 0.000 0.677 204 G HN 0.461 nan 8.290 nan 0.000 0.486 205 F N 1.928 121.955 119.950 0.128 0.000 2.735 205 F HA 0.537 5.064 4.527 0.000 0.000 0.304 205 F C 1.469 177.417 175.800 0.247 0.000 1.119 205 F CA 0.400 58.530 58.000 0.217 0.000 1.280 205 F CB 0.905 40.077 39.000 0.286 0.000 0.994 205 F HN 0.785 nan 8.300 nan 0.000 0.520 206 G N 1.038 110.038 108.800 0.334 0.000 2.795 206 G HA2 0.112 4.072 3.960 0.000 0.000 0.664 206 G HA3 0.112 4.072 3.960 0.000 0.000 0.664 206 G C -0.499 174.593 174.900 0.320 0.000 1.381 206 G CA -0.641 44.617 45.100 0.263 0.000 0.853 206 G HN 0.684 nan 8.290 nan 0.000 0.545 207 A N 0.579 123.580 122.820 0.301 0.000 2.540 207 A HA 0.771 5.091 4.320 0.000 0.000 0.340 207 A C 0.500 178.277 177.584 0.322 0.000 1.424 207 A CA 0.797 53.025 52.037 0.319 0.000 0.940 207 A CB -0.507 18.677 19.000 0.306 0.000 1.149 207 A HN 1.874 nan 8.150 nan 0.000 0.505 208 M N -0.330 119.382 119.600 0.187 0.000 2.907 208 M HA 0.682 5.162 4.480 0.000 0.000 0.282 208 M C -1.452 174.833 176.300 -0.025 0.000 1.259 208 M CA -0.849 54.510 55.300 0.098 0.000 0.753 208 M CB 1.377 33.928 32.600 -0.081 0.000 1.744 208 M HN 0.176 nan 8.290 nan 0.000 0.434 209 D N 0.364 120.752 120.400 -0.020 0.000 2.472 209 D HA 0.369 5.009 4.640 0.000 0.000 0.234 209 D C -0.080 176.172 176.300 -0.081 0.000 1.088 209 D CA -0.458 53.550 54.000 0.015 0.000 0.882 209 D CB 0.351 41.224 40.800 0.122 0.000 1.037 209 D HN 0.564 nan 8.370 nan 0.000 0.520 210 F N 1.137 121.112 119.950 0.042 0.000 2.287 210 F HA -0.188 4.340 4.527 0.000 0.000 0.301 210 F C 2.344 178.148 175.800 0.007 0.000 1.069 210 F CA 1.176 59.183 58.000 0.012 0.000 1.372 210 F CB -0.512 38.477 39.000 -0.020 0.000 1.056 210 F HN 0.313 nan 8.300 nan 0.000 0.523 211 T N -2.201 112.450 114.554 0.161 0.000 2.939 211 T HA -0.093 4.257 4.350 0.000 0.000 0.254 211 T C 2.110 176.851 174.700 0.069 0.000 1.041 211 T CA 1.461 63.623 62.100 0.104 0.000 1.142 211 T CB -0.723 68.193 68.868 0.079 0.000 0.874 211 T HN 0.399 nan 8.240 nan 0.000 0.452 212 T N 0.436 115.027 114.554 0.061 0.000 2.978 212 T HA 0.139 4.490 4.350 0.000 0.000 0.262 212 T C 1.668 176.383 174.700 0.025 0.000 1.063 212 T CA 0.345 62.471 62.100 0.043 0.000 1.140 212 T CB -0.338 68.561 68.868 0.051 0.000 0.886 212 T HN 0.064 nan 8.240 nan 0.000 0.470 213 L N 0.693 121.919 121.223 0.005 0.000 2.477 213 L HA 0.398 4.738 4.340 0.000 0.000 0.220 213 L C 0.909 177.767 176.870 -0.019 0.000 1.106 213 L CA 0.825 55.653 54.840 -0.020 0.000 0.851 213 L CB -0.388 41.633 42.059 -0.063 0.000 0.994 213 L HN 0.382 nan 8.230 nan 0.000 0.462 214 Q N -0.984 118.819 119.800 0.004 0.000 2.607 214 Q HA 0.420 4.760 4.340 0.000 0.000 0.247 214 Q C 1.062 177.074 176.000 0.020 0.000 1.033 214 Q CA 0.051 55.862 55.803 0.014 0.000 0.769 214 Q CB 1.450 30.219 28.738 0.052 0.000 1.169 214 Q HN 0.195 nan 8.270 nan 0.000 0.508 215 A N 3.203 126.027 122.820 0.007 0.000 1.859 215 A HA -0.299 4.022 4.320 0.000 0.000 0.218 215 A C 1.848 179.435 177.584 0.005 0.000 1.209 215 A CA 2.332 54.373 52.037 0.007 0.000 0.639 215 A CB -0.607 18.394 19.000 0.002 0.000 0.835 215 A HN 0.850 nan 8.150 nan 0.000 0.450 216 N N 0.980 119.675 118.700 -0.007 0.000 2.417 216 N HA -0.274 4.466 4.740 0.000 0.000 0.187 216 N C 0.699 176.207 175.510 -0.005 0.000 1.027 216 N CA 1.860 54.901 53.050 -0.014 0.000 0.891 216 N CB -0.701 37.765 38.487 -0.034 0.000 0.956 216 N HN 0.806 nan 8.380 nan 0.000 0.442 217 K N -1.395 119.008 120.400 0.004 0.000 2.975 217 K HA -0.183 4.137 4.320 0.000 0.000 0.257 217 K C -0.540 176.096 176.600 0.060 0.000 1.005 217 K CA 1.253 57.560 56.287 0.032 0.000 0.738 217 K CB -2.258 30.270 32.500 0.046 0.000 1.236 217 K HN 0.224 nan 8.250 nan 0.000 0.483 218 S N 0.098 115.757 115.700 -0.068 0.000 2.787 218 S HA 0.032 4.503 4.470 0.000 0.000 0.255 218 S C -0.192 174.120 174.600 -0.480 0.000 1.051 218 S CA 0.104 58.126 58.200 -0.296 0.000 1.124 218 S CB 0.482 63.547 63.200 -0.225 0.000 1.104 218 S HN 0.629 nan 8.310 nan 0.000 0.623 219 D N 1.719 121.921 120.400 -0.330 0.000 2.755 219 D HA 0.333 4.973 4.640 0.000 0.000 0.257 219 D C -0.127 175.878 176.300 -0.492 0.000 1.291 219 D CA -0.439 53.310 54.000 -0.418 0.000 0.836 219 D CB 0.135 40.707 40.800 -0.379 0.000 1.059 219 D HN 0.171 nan 8.370 nan 0.000 0.486 220 V N -4.312 115.331 119.914 -0.452 0.000 3.000 220 V HA 0.529 4.650 4.120 0.000 0.000 0.300 220 V C -2.930 172.991 176.094 -0.287 0.000 1.251 220 V CA -2.250 59.706 62.300 -0.573 0.000 0.972 220 V CB 1.712 33.120 31.823 -0.693 0.000 1.065 220 V HN -0.245 nan 8.190 nan 0.000 0.431 221 P HA 0.083 nan 4.420 nan 0.000 0.270 221 P C 0.966 178.226 177.300 -0.068 0.000 1.216 221 P CA -0.115 62.942 63.100 -0.070 0.000 0.788 221 P CB 0.430 32.061 31.700 -0.115 0.000 0.883 222 L N 1.710 122.855 121.223 -0.129 0.000 2.042 222 L HA -0.186 4.154 4.340 0.000 0.000 0.210 222 L C 1.782 178.639 176.870 -0.022 0.000 1.076 222 L CA 2.244 57.032 54.840 -0.087 0.000 0.749 222 L CB -2.053 39.967 42.059 -0.064 0.000 0.893 222 L HN 0.508 nan 8.230 nan 0.000 0.432 223 D N -0.215 120.159 120.400 -0.043 0.000 2.403 223 D HA -0.185 4.455 4.640 0.000 0.000 0.227 223 D C 1.463 177.774 176.300 0.019 0.000 0.995 223 D CA 1.092 55.140 54.000 0.080 0.000 0.928 223 D CB -0.354 40.561 40.800 0.193 0.000 0.887 223 D HN 0.637 nan 8.370 nan 0.000 0.529 224 I N -3.659 116.847 120.570 -0.107 0.000 4.887 224 I HA 0.204 4.374 4.170 0.000 0.000 0.349 224 I C 1.872 177.739 176.117 -0.417 0.000 1.266 224 I CA -0.293 60.830 61.300 -0.294 0.000 1.376 224 I CB -0.218 37.450 38.000 -0.552 0.000 1.556 224 I HN 0.069 nan 8.210 nan 0.000 0.530 225 C N 1.424 120.570 119.300 -0.258 0.000 2.409 225 C HA 0.027 4.487 4.460 0.000 0.000 0.284 225 C C 2.153 177.138 174.990 -0.009 0.000 1.354 225 C CA 0.865 59.790 59.018 -0.156 0.000 1.787 225 C CB -1.738 25.982 27.740 -0.032 0.000 1.900 225 C HN 0.708 nan 8.230 nan 0.000 0.520 226 S N -0.159 115.546 115.700 0.008 0.000 2.651 226 S HA 0.482 4.952 4.470 0.000 0.000 0.246 226 S C 0.131 174.774 174.600 0.071 0.000 1.039 226 S CA -0.004 58.229 58.200 0.055 0.000 1.013 226 S CB -0.160 63.062 63.200 0.037 0.000 0.861 226 S HN 0.700 nan 8.310 nan 0.000 0.485 227 S N 0.845 116.596 115.700 0.087 0.000 2.900 227 S HA 0.690 5.160 4.470 0.000 0.000 0.320 227 S C -0.888 173.834 174.600 0.203 0.000 1.130 227 S CA -0.972 57.286 58.200 0.097 0.000 0.863 227 S CB 0.653 63.888 63.200 0.058 0.000 1.295 227 S HN 0.349 nan 8.310 nan 0.000 0.596 228 I N 1.000 121.652 120.570 0.137 0.000 2.468 228 I HA 0.316 4.486 4.170 0.000 0.000 0.284 228 I C -1.196 175.004 176.117 0.139 0.000 1.038 228 I CA -0.374 60.974 61.300 0.080 0.000 1.083 228 I CB 1.303 39.192 38.000 -0.185 0.000 1.223 228 I HN 0.502 nan 8.210 nan 0.000 0.443 229 C N 6.633 126.111 119.300 0.296 0.000 2.325 229 C HA 0.382 4.843 4.460 0.000 0.000 0.347 229 C C 0.352 175.503 174.990 0.268 0.000 1.263 229 C CA -0.591 58.604 59.018 0.295 0.000 1.806 229 C CB -0.127 27.845 27.740 0.387 0.000 2.405 229 C HN 0.627 nan 8.230 nan 0.000 0.537 230 K N 2.748 123.311 120.400 0.272 0.000 2.203 230 K HA 0.507 4.827 4.320 0.000 0.000 0.251 230 K C -1.282 175.528 176.600 0.351 0.000 0.944 230 K CA -0.577 55.843 56.287 0.222 0.000 0.829 230 K CB 2.160 34.657 32.500 -0.006 0.000 1.125 230 K HN 0.625 nan 8.250 nan 0.000 0.430 231 Y N 2.007 122.398 120.300 0.152 0.000 2.376 231 Y HA 0.293 4.843 4.550 0.000 0.000 0.340 231 Y C -2.595 173.332 175.900 0.045 0.000 0.965 231 Y CA -2.498 55.709 58.100 0.178 0.000 1.078 231 Y CB 1.694 40.255 38.460 0.170 0.000 1.193 231 Y HN 0.409 nan 8.280 nan 0.000 0.452 232 P HA -0.060 nan 4.420 nan 0.000 0.260 232 P C -0.529 176.428 177.300 -0.572 0.000 1.185 232 P CA 0.415 63.088 63.100 -0.712 0.000 0.763 232 P CB 0.420 31.432 31.700 -1.146 0.000 0.776 233 D N 3.183 123.395 120.400 -0.314 0.000 2.662 233 D HA -0.050 4.590 4.640 0.000 0.000 0.228 233 D C 0.517 176.715 176.300 -0.170 0.000 1.093 233 D CA 0.135 54.049 54.000 -0.144 0.000 1.075 233 D CB -0.300 40.421 40.800 -0.131 0.000 1.122 233 D HN 0.313 nan 8.370 nan 0.000 0.475 234 Y N 0.706 120.935 120.300 -0.118 0.000 2.207 234 Y HA -0.170 4.380 4.550 0.000 0.000 0.287 234 Y C 2.333 178.151 175.900 -0.137 0.000 1.156 234 Y CA 0.642 58.619 58.100 -0.204 0.000 1.182 234 Y CB -0.174 38.154 38.460 -0.220 0.000 0.979 234 Y HN 0.286 nan 8.280 nan 0.000 0.521 235 L N -0.114 121.167 121.223 0.098 0.000 2.079 235 L HA -0.264 4.076 4.340 0.000 0.000 0.210 235 L C 2.525 179.399 176.870 0.006 0.000 1.081 235 L CA 1.632 56.503 54.840 0.051 0.000 0.752 235 L CB -0.319 41.774 42.059 0.057 0.000 0.896 235 L HN 0.194 nan 8.230 nan 0.000 0.433 236 K N -0.180 120.206 120.400 -0.024 0.000 2.044 236 K HA -0.082 4.238 4.320 0.000 0.000 0.204 236 K C 2.187 178.753 176.600 -0.056 0.000 1.045 236 K CA 0.943 57.204 56.287 -0.042 0.000 0.951 236 K CB 0.000 32.464 32.500 -0.061 0.000 0.738 236 K HN 0.115 nan 8.250 nan 0.000 0.443 237 M N 0.406 119.945 119.600 -0.101 0.000 2.202 237 M HA -0.172 4.309 4.480 0.000 0.000 0.262 237 M C 2.053 178.310 176.300 -0.071 0.000 1.063 237 M CA 1.154 56.386 55.300 -0.114 0.000 1.097 237 M CB -0.165 32.318 32.600 -0.194 0.000 1.382 237 M HN -0.011 nan 8.290 nan 0.000 0.413 238 V N -0.867 119.008 119.914 -0.065 0.000 2.453 238 V HA -0.140 3.980 4.120 0.000 0.000 0.247 238 V C 1.939 178.045 176.094 0.020 0.000 1.048 238 V CA 1.614 63.899 62.300 -0.025 0.000 1.049 238 V CB -0.067 31.743 31.823 -0.020 0.000 0.672 238 V HN 0.370 nan 8.190 nan 0.000 0.457 239 S N -0.723 114.985 115.700 0.013 0.000 2.671 239 S HA 0.067 4.537 4.470 0.000 0.000 0.220 239 S C 0.694 175.312 174.600 0.031 0.000 0.951 239 S CA -0.150 58.066 58.200 0.027 0.000 0.932 239 S CB -0.384 62.827 63.200 0.018 0.000 0.777 239 S HN 0.708 nan 8.310 nan 0.000 0.508 240 E N 2.620 122.840 120.200 0.033 0.000 2.360 240 E HA 0.061 4.411 4.350 0.000 0.000 0.269 240 E C -1.314 175.329 176.600 0.072 0.000 1.022 240 E CA -1.659 54.766 56.400 0.042 0.000 0.887 240 E CB 0.783 30.513 29.700 0.049 0.000 0.990 240 E HN 0.049 nan 8.360 nan 0.000 0.426 241 P HA -0.217 nan 4.420 nan 0.000 0.215 241 P C 0.661 177.918 177.300 -0.072 0.000 1.157 241 P CA 1.648 64.696 63.100 -0.087 0.000 0.874 241 P CB -0.082 31.431 31.700 -0.312 0.000 0.790 242 Y N -0.395 119.977 120.300 0.121 0.000 2.269 242 Y HA 0.241 4.791 4.550 0.000 0.000 0.294 242 Y C 1.733 177.787 175.900 0.257 0.000 1.120 242 Y CA 0.897 59.100 58.100 0.172 0.000 1.159 242 Y CB -0.810 37.714 38.460 0.107 0.000 1.024 242 Y HN 0.021 nan 8.280 nan 0.000 0.532 243 G N 1.262 110.251 108.800 0.315 0.000 2.422 243 G HA2 -0.231 3.729 3.960 0.000 0.000 0.290 243 G HA3 -0.231 3.729 3.960 0.000 0.000 0.290 243 G C -0.094 174.966 174.900 0.266 0.000 1.059 243 G CA 0.491 45.737 45.100 0.244 0.000 1.242 243 G HN 0.427 nan 8.290 nan 0.000 0.520 244 D N -0.044 120.472 120.400 0.192 0.000 2.454 244 D HA 0.076 4.716 4.640 0.000 0.000 0.219 244 D C 2.330 178.585 176.300 -0.074 0.000 1.081 244 D CA 0.402 54.508 54.000 0.177 0.000 0.867 244 D CB 0.105 41.035 40.800 0.217 0.000 1.054 244 D HN 0.478 nan 8.370 nan 0.000 0.500 245 M N 0.726 120.275 119.600 -0.084 0.000 2.065 245 M HA -0.112 4.369 4.480 0.000 0.000 0.259 245 M C 0.044 176.182 176.300 -0.270 0.000 1.069 245 M CA 1.605 56.792 55.300 -0.188 0.000 1.110 245 M CB 0.153 32.662 32.600 -0.151 0.000 1.328 245 M HN 0.016 nan 8.290 nan 0.000 0.405 246 L N -3.508 117.582 121.223 -0.222 0.000 2.482 246 L HA 0.478 4.818 4.340 0.000 0.000 0.263 246 L C -0.949 175.892 176.870 -0.049 0.000 0.957 246 L CA -0.940 53.753 54.840 -0.245 0.000 0.836 246 L CB 1.212 43.211 42.059 -0.099 0.000 1.324 246 L HN 0.162 nan 8.230 nan 0.000 0.406 247 F N 0.781 120.878 119.950 0.245 0.000 2.724 247 F HA 0.672 5.199 4.527 0.000 0.000 0.310 247 F C -0.442 175.593 175.800 0.391 0.000 1.107 247 F CA -1.200 56.961 58.000 0.269 0.000 1.218 247 F CB -0.052 39.091 39.000 0.239 0.000 1.042 247 F HN 0.380 nan 8.300 nan 0.000 0.540 248 F N 2.046 122.246 119.950 0.417 0.000 2.654 248 F HA 0.564 5.092 4.527 0.000 0.000 0.314 248 F C -1.661 174.342 175.800 0.340 0.000 1.116 248 F CA -1.686 56.508 58.000 0.323 0.000 1.017 248 F CB 1.186 40.373 39.000 0.310 0.000 1.285 248 F HN 0.092 nan 8.300 nan 0.000 0.448 249 Y N 3.743 123.700 120.300 -0.571 0.000 2.689 249 Y HA 0.855 5.405 4.550 0.000 0.000 0.333 249 Y C -2.389 173.240 175.900 -0.452 0.000 1.208 249 Y CA -1.678 56.246 58.100 -0.293 0.000 1.055 249 Y CB 1.825 40.299 38.460 0.023 0.000 1.304 249 Y HN 0.628 nan 8.280 nan 0.000 0.455 250 L N 3.328 124.421 121.223 -0.216 0.000 2.661 250 L HA 0.489 4.829 4.340 0.000 0.000 0.263 250 L C -1.274 175.570 176.870 -0.044 0.000 0.956 250 L CA -0.774 53.880 54.840 -0.311 0.000 0.918 250 L CB 2.085 43.956 42.059 -0.314 0.000 1.280 250 L HN 0.860 nan 8.230 nan 0.000 0.416 251 R N 2.175 122.634 120.500 -0.069 0.000 2.668 251 R HA 0.870 5.210 4.340 0.000 0.000 0.279 251 R C -0.531 175.749 176.300 -0.034 0.000 0.976 251 R CA -1.073 55.036 56.100 0.016 0.000 0.978 251 R CB 2.111 32.392 30.300 -0.033 0.000 1.133 251 R HN 0.408 nan 8.270 nan 0.000 0.484 252 R N 1.310 121.812 120.500 0.004 0.000 2.985 252 R HA 0.093 4.433 4.340 0.000 0.000 0.259 252 R C -1.402 174.917 176.300 0.031 0.000 1.815 252 R CA -0.199 55.891 56.100 -0.016 0.000 1.278 252 R CB 0.869 31.127 30.300 -0.070 0.000 1.403 252 R HN 0.917 nan 8.270 nan 0.000 0.534 253 E N 2.561 122.792 120.200 0.052 0.000 2.221 253 E HA 0.479 4.829 4.350 0.000 0.000 0.268 253 E C -1.176 175.463 176.600 0.064 0.000 0.933 253 E CA -1.054 55.396 56.400 0.082 0.000 0.809 253 E CB 2.409 32.187 29.700 0.130 0.000 1.190 253 E HN 0.430 nan 8.360 nan 0.000 0.406 254 Q N 2.419 122.263 119.800 0.074 0.000 2.599 254 Q HA 0.429 4.769 4.340 0.000 0.000 0.248 254 Q C -1.625 174.428 176.000 0.089 0.000 0.964 254 Q CA -0.784 55.064 55.803 0.075 0.000 1.011 254 Q CB 1.647 30.425 28.738 0.067 0.000 1.592 254 Q HN 0.699 nan 8.270 nan 0.000 0.443 255 M N 3.184 122.848 119.600 0.108 0.000 2.853 255 M HA 0.708 5.188 4.480 0.000 0.000 0.273 255 M C -2.156 174.255 176.300 0.184 0.000 1.128 255 M CA -0.524 54.833 55.300 0.094 0.000 0.814 255 M CB 2.049 34.678 32.600 0.048 0.000 1.667 255 M HN 1.012 nan 8.290 nan 0.000 0.519 256 F N 0.352 120.317 119.950 0.024 0.000 2.711 256 F HA 0.742 5.269 4.527 0.000 0.000 0.313 256 F C -1.521 174.284 175.800 0.008 0.000 1.141 256 F CA -1.028 56.978 58.000 0.009 0.000 0.941 256 F CB 0.547 39.552 39.000 0.008 0.000 1.349 256 F HN 0.225 nan 8.300 nan 0.000 0.464 257 V N 3.327 123.513 119.914 0.453 0.000 2.302 257 V HA 0.215 4.335 4.120 0.000 0.000 0.244 257 V C 1.419 177.692 176.094 0.297 0.000 1.160 257 V CA -0.027 62.414 62.300 0.235 0.000 1.127 257 V CB -0.412 31.489 31.823 0.130 0.000 1.253 257 V HN 0.916 nan 8.190 nan 0.000 0.496 258 R N 2.990 123.526 120.500 0.059 0.000 2.082 258 R HA -0.092 4.249 4.340 0.000 0.000 0.234 258 R C 0.573 177.101 176.300 0.379 0.000 1.136 258 R CA 1.798 58.017 56.100 0.199 0.000 0.935 258 R CB -0.161 30.143 30.300 0.006 0.000 0.842 258 R HN 0.762 nan 8.270 nan 0.000 0.430 259 H N -2.419 116.621 119.070 -0.050 0.000 2.855 259 H HA 0.535 5.091 4.556 0.000 0.000 0.363 259 H C -1.244 173.842 175.328 -0.404 0.000 1.185 259 H CA -0.706 55.204 56.048 -0.231 0.000 1.174 259 H CB 1.476 31.094 29.762 -0.240 0.000 1.857 259 H HN 0.038 nan 8.280 nan 0.000 0.565 260 L N 1.839 122.729 121.223 -0.555 0.000 2.349 260 L HA 0.515 4.856 4.340 0.000 0.000 0.278 260 L C -1.052 175.385 176.870 -0.723 0.000 0.996 260 L CA -0.264 54.260 54.840 -0.527 0.000 0.825 260 L CB 0.899 42.748 42.059 -0.350 0.000 1.243 260 L HN 0.338 nan 8.230 nan 0.000 0.412 261 F N 0.364 120.066 119.950 -0.414 0.000 2.631 261 F HA 0.451 4.978 4.527 0.000 0.000 0.328 261 F C 0.241 175.990 175.800 -0.084 0.000 1.067 261 F CA -0.718 57.080 58.000 -0.338 0.000 0.969 261 F CB 1.969 40.578 39.000 -0.651 0.000 1.332 261 F HN 0.410 nan 8.300 nan 0.000 0.490 262 N N 0.656 119.585 118.700 0.381 0.000 2.430 262 N HA 0.361 5.101 4.740 0.000 0.000 0.292 262 N C -1.085 174.683 175.510 0.430 0.000 1.051 262 N CA -0.762 52.517 53.050 0.381 0.000 0.917 262 N CB 0.901 39.557 38.487 0.281 0.000 1.164 262 N HN 0.310 nan 8.380 nan 0.000 0.484 263 R N 1.394 122.099 120.500 0.342 0.000 2.428 263 R HA 0.430 4.770 4.340 0.000 0.000 0.294 263 R C -0.372 175.999 176.300 0.119 0.000 1.000 263 R CA -0.507 55.738 56.100 0.243 0.000 0.960 263 R CB 1.484 31.882 30.300 0.164 0.000 1.076 263 R HN 0.534 nan 8.270 nan 0.000 0.475 264 A N 0.835 123.700 122.820 0.075 0.000 2.313 264 A HA 0.638 4.958 4.320 0.000 0.000 0.261 264 A C 0.383 177.977 177.584 0.016 0.000 1.090 264 A CA 0.477 52.539 52.037 0.042 0.000 0.807 264 A CB 0.288 19.304 19.000 0.027 0.000 1.055 264 A HN 0.848 nan 8.150 nan 0.000 0.492 265 G N -0.630 108.177 108.800 0.012 0.000 2.675 265 G HA2 0.330 4.290 3.960 0.000 0.000 0.686 265 G HA3 0.330 4.290 3.960 0.000 0.000 0.686 265 G C -0.021 174.878 174.900 -0.001 0.000 1.215 265 G CA 0.081 45.182 45.100 0.003 0.000 0.777 265 G HN 2.359 nan 8.290 nan 0.000 0.638 266 T N -1.350 113.202 114.554 -0.002 0.000 2.905 266 T HA 0.380 4.730 4.350 0.000 0.000 0.299 266 T C 0.813 175.505 174.700 -0.013 0.000 1.024 266 T CA 0.158 62.255 62.100 -0.005 0.000 1.151 266 T CB 0.945 69.812 68.868 -0.002 0.000 0.987 266 T HN 1.643 nan 8.240 nan 0.000 0.535 267 V N 5.993 125.895 119.914 -0.020 0.000 2.421 267 V HA 0.277 4.397 4.120 0.000 0.000 0.271 267 V C 1.974 178.055 176.094 -0.022 0.000 1.031 267 V CA 0.474 62.757 62.300 -0.029 0.000 1.032 267 V CB -0.229 31.567 31.823 -0.045 0.000 1.009 267 V HN 1.211 nan 8.190 nan 0.000 0.477 268 G N 5.285 114.072 108.800 -0.021 0.000 2.777 268 G HA2 -0.222 3.739 3.960 0.000 0.000 0.217 268 G HA3 -0.222 3.739 3.960 0.000 0.000 0.217 268 G C 0.457 175.347 174.900 -0.016 0.000 1.295 268 G CA 0.433 45.523 45.100 -0.018 0.000 0.800 268 G HN 0.742 nan 8.290 nan 0.000 0.637 269 E N 1.241 121.429 120.200 -0.020 0.000 2.044 269 E HA 0.406 4.756 4.350 0.000 0.000 0.282 269 E C 0.153 176.743 176.600 -0.017 0.000 1.031 269 E CA -0.255 56.136 56.400 -0.016 0.000 0.824 269 E CB 0.919 30.608 29.700 -0.018 0.000 1.076 269 E HN 0.404 nan 8.360 nan 0.000 0.395 270 T N -0.889 113.661 114.554 -0.007 0.000 2.868 270 T HA 0.227 4.577 4.350 0.000 0.000 0.292 270 T C 0.533 175.238 174.700 0.009 0.000 1.028 270 T CA -0.961 61.136 62.100 -0.004 0.000 1.059 270 T CB 0.889 69.763 68.868 0.011 0.000 0.991 270 T HN 0.067 nan 8.240 nan 0.000 0.531 271 V N 3.797 123.717 119.914 0.010 0.000 2.508 271 V HA 0.238 4.358 4.120 0.000 0.000 0.281 271 V C -1.879 174.288 176.094 0.122 0.000 1.041 271 V CA -1.415 60.908 62.300 0.038 0.000 1.016 271 V CB 0.093 31.897 31.823 -0.032 0.000 0.984 271 V HN 0.822 nan 8.190 nan 0.000 0.478 272 P HA 0.214 nan 4.420 nan 0.000 0.271 272 P C 0.415 177.804 177.300 0.148 0.000 1.226 272 P CA -0.168 62.992 63.100 0.100 0.000 0.765 272 P CB 0.969 32.705 31.700 0.061 0.000 0.835 273 A N 3.369 126.234 122.820 0.076 0.000 2.248 273 A HA -0.109 4.211 4.320 0.000 0.000 0.210 273 A C 1.272 178.704 177.584 -0.253 0.000 1.174 273 A CA 0.974 52.947 52.037 -0.105 0.000 0.750 273 A CB -0.672 18.257 19.000 -0.119 0.000 0.780 273 A HN 0.614 nan 8.150 nan 0.000 0.478 274 D N -0.516 119.826 120.400 -0.096 0.000 2.328 274 D HA 0.035 4.675 4.640 0.000 0.000 0.221 274 D C 1.197 177.471 176.300 -0.044 0.000 1.072 274 D CA 0.002 53.949 54.000 -0.089 0.000 0.850 274 D CB -0.123 40.653 40.800 -0.041 0.000 0.922 274 D HN 0.480 nan 8.370 nan 0.000 0.516 275 L N -0.279 120.954 121.223 0.017 0.000 2.591 275 L HA 0.120 4.460 4.340 0.000 0.000 0.228 275 L C -0.151 176.814 176.870 0.157 0.000 1.133 275 L CA 0.030 54.933 54.840 0.105 0.000 0.880 275 L CB -0.194 41.968 42.059 0.172 0.000 1.033 275 L HN 0.136 nan 8.230 nan 0.000 0.450 276 Y N -3.268 117.028 120.300 -0.007 0.000 2.702 276 Y HA 0.484 5.034 4.550 0.000 0.000 0.336 276 Y C -1.299 174.594 175.900 -0.013 0.000 1.203 276 Y CA -1.760 56.334 58.100 -0.010 0.000 1.072 276 Y CB 0.504 38.957 38.460 -0.012 0.000 1.327 276 Y HN -0.181 nan 8.280 nan 0.000 0.456 277 I N 3.848 124.392 120.570 -0.044 0.000 2.306 277 I HA 0.236 4.406 4.170 0.000 0.000 0.288 277 I C -0.374 175.732 176.117 -0.018 0.000 1.036 277 I CA -0.864 60.383 61.300 -0.089 0.000 1.221 277 I CB 0.899 38.881 38.000 -0.029 0.000 1.385 277 I HN 0.405 nan 8.210 nan 0.000 0.472 278 K N 5.134 125.460 120.400 -0.123 0.000 2.302 278 K HA -0.136 4.184 4.320 0.000 0.000 0.243 278 K C 0.440 177.065 176.600 0.041 0.000 1.286 278 K CA 0.131 56.421 56.287 0.004 0.000 1.265 278 K CB -0.431 32.049 32.500 -0.033 0.000 0.722 278 K HN 0.851 nan 8.250 nan 0.000 0.532 279 G N 2.605 111.456 108.800 0.085 0.000 2.329 279 G HA2 0.122 4.082 3.960 0.000 0.000 0.309 279 G HA3 0.122 4.082 3.960 0.000 0.000 0.309 279 G C 0.102 175.013 174.900 0.018 0.000 1.110 279 G CA -0.424 44.696 45.100 0.034 0.000 0.923 279 G HN 0.464 nan 8.290 nan 0.000 0.430 280 T N 1.842 116.407 114.554 0.017 0.000 2.923 280 T HA 0.233 4.584 4.350 0.000 0.000 0.309 280 T C 0.742 175.457 174.700 0.025 0.000 1.059 280 T CA 1.452 63.566 62.100 0.023 0.000 1.133 280 T CB -0.268 68.614 68.868 0.024 0.000 1.053 280 T HN 1.231 nan 8.240 nan 0.000 0.530 281 T N 2.082 116.662 114.554 0.044 0.000 2.506 281 T HA 0.259 4.610 4.350 0.000 0.000 0.515 281 T C -0.083 174.662 174.700 0.074 0.000 0.826 281 T CA 0.520 62.669 62.100 0.082 0.000 2.733 281 T CB -1.761 67.178 68.868 0.119 0.000 1.744 281 T HN 1.801 nan 8.240 nan 0.000 0.548 282 G N 1.220 110.070 108.800 0.084 0.000 2.249 282 G HA2 0.390 4.350 3.960 0.000 0.000 0.252 282 G HA3 0.390 4.350 3.960 0.000 0.000 0.252 282 G C -0.055 174.871 174.900 0.044 0.000 1.697 282 G CA 0.003 45.136 45.100 0.055 0.000 0.916 282 G HN 0.590 nan 8.290 nan 0.000 0.725 283 T N 1.812 116.406 114.554 0.066 0.000 3.163 283 T HA 0.386 4.736 4.350 0.000 0.000 0.252 283 T C 0.514 175.216 174.700 0.003 0.000 1.056 283 T CA 0.454 62.580 62.100 0.042 0.000 0.947 283 T CB -0.239 68.661 68.868 0.053 0.000 1.016 283 T HN 1.833 nan 8.240 nan 0.000 0.554 284 L N 2.526 123.720 121.223 -0.049 0.000 2.629 284 L HA -0.079 4.261 4.340 0.000 0.000 0.595 284 L C -1.954 174.868 176.870 -0.081 0.000 1.000 284 L CA -0.716 54.045 54.840 -0.131 0.000 1.304 284 L CB -0.822 41.135 42.059 -0.170 0.000 1.841 284 L HN 0.136 nan 8.230 nan 0.000 0.901 285 P HA 0.088 nan 4.420 nan 0.000 0.271 285 P C -0.049 177.227 177.300 -0.041 0.000 1.233 285 P CA -0.000 63.106 63.100 0.011 0.000 0.795 285 P CB 0.554 32.284 31.700 0.050 0.000 0.936 286 S N -0.705 114.983 115.700 -0.019 0.000 2.560 286 S HA 0.103 4.573 4.470 0.000 0.000 0.284 286 S C 0.723 175.185 174.600 -0.231 0.000 1.327 286 S CA 0.294 58.445 58.200 -0.081 0.000 1.055 286 S CB -0.503 62.687 63.200 -0.017 0.000 0.868 286 S HN 0.526 nan 8.310 nan 0.000 0.506 287 T N 2.202 116.542 114.554 -0.356 0.000 3.058 287 T HA 0.127 4.477 4.350 0.000 0.000 0.278 287 T C 0.207 174.392 174.700 -0.859 0.000 0.974 287 T CA 0.028 61.716 62.100 -0.686 0.000 0.893 287 T CB 0.070 68.724 68.868 -0.356 0.000 1.138 287 T HN 0.738 nan 8.240 nan 0.000 0.529 288 S N 2.429 117.875 115.700 -0.423 0.000 2.686 288 S HA 0.339 4.809 4.470 0.000 0.000 0.324 288 S C -0.494 174.075 174.600 -0.052 0.000 1.172 288 S CA -0.623 57.466 58.200 -0.185 0.000 1.127 288 S CB -0.850 62.326 63.200 -0.040 0.000 1.338 288 S HN 0.377 nan 8.310 nan 0.000 0.547 289 Y N 1.990 122.383 120.300 0.156 0.000 2.488 289 Y HA 0.710 5.261 4.550 0.000 0.000 0.325 289 Y C -0.050 176.009 175.900 0.266 0.000 1.204 289 Y CA -1.597 56.602 58.100 0.167 0.000 1.229 289 Y CB 1.345 39.842 38.460 0.062 0.000 1.274 289 Y HN 0.725 nan 8.280 nan 0.000 0.493 290 F N 0.861 121.001 119.950 0.316 0.000 2.651 290 F HA 0.602 5.129 4.527 0.000 0.000 0.327 290 F C -3.628 172.313 175.800 0.235 0.000 1.133 290 F CA -2.397 55.750 58.000 0.244 0.000 1.076 290 F CB 1.235 40.409 39.000 0.290 0.000 1.315 290 F HN 0.066 nan 8.300 nan 0.000 0.499 291 P HA 0.394 nan 4.420 nan 0.000 0.283 291 P C -1.041 176.265 177.300 0.009 0.000 1.271 291 P CA -0.368 62.688 63.100 -0.074 0.000 0.841 291 P CB 2.123 33.788 31.700 -0.058 0.000 1.122 292 T N 3.223 117.822 114.554 0.074 0.000 2.743 292 T HA 0.377 4.727 4.350 0.000 0.000 0.292 292 T C -2.073 172.621 174.700 -0.009 0.000 0.972 292 T CA -1.322 60.859 62.100 0.135 0.000 0.967 292 T CB 0.787 69.802 68.868 0.244 0.000 0.926 292 T HN 0.379 nan 8.240 nan 0.000 0.459 293 P HA 0.393 nan 4.420 nan 0.000 0.286 293 P C -0.653 176.513 177.300 -0.223 0.000 1.293 293 P CA -0.533 62.494 63.100 -0.120 0.000 0.770 293 P CB 0.807 32.479 31.700 -0.048 0.000 1.206 294 S N -2.298 113.161 115.700 -0.402 0.000 2.582 294 S HA 0.508 4.978 4.470 0.000 0.000 0.287 294 S C 0.073 174.420 174.600 -0.423 0.000 1.146 294 S CA -0.284 57.565 58.200 -0.585 0.000 0.941 294 S CB 0.120 62.547 63.200 -1.289 0.000 1.115 294 S HN 0.582 nan 8.310 nan 0.000 0.458 295 G N 1.855 110.571 108.800 -0.141 0.000 3.502 295 G HA2 0.425 4.385 3.960 0.000 0.000 0.267 295 G HA3 0.425 4.385 3.960 0.000 0.000 0.267 295 G C 0.774 175.704 174.900 0.050 0.000 1.090 295 G CA 0.701 45.801 45.100 -0.000 0.000 0.795 295 G HN 1.326 nan 8.290 nan 0.000 0.535 296 S N -0.810 114.917 115.700 0.045 0.000 4.157 296 S HA -0.327 4.143 4.470 0.000 0.000 0.539 296 S C 0.589 175.263 174.600 0.123 0.000 1.854 296 S CA 1.776 60.099 58.200 0.205 0.000 4.235 296 S CB -1.021 62.371 63.200 0.319 0.000 0.383 296 S HN 0.675 nan 8.310 nan 0.000 0.457 297 M N 1.783 121.446 119.600 0.105 0.000 2.518 297 M HA 0.615 5.095 4.480 0.000 0.000 0.300 297 M C -1.135 175.197 176.300 0.053 0.000 1.175 297 M CA -0.684 54.659 55.300 0.071 0.000 0.890 297 M CB 1.888 34.526 32.600 0.063 0.000 1.710 297 M HN 0.546 nan 8.290 nan 0.000 0.453 298 V N 0.870 120.810 119.914 0.042 0.000 2.630 298 V HA 0.971 5.092 4.120 0.000 0.000 0.305 298 V C -0.385 175.725 176.094 0.027 0.000 1.046 298 V CA -0.351 61.971 62.300 0.036 0.000 0.934 298 V CB 1.175 33.022 31.823 0.039 0.000 1.003 298 V HN 0.947 nan 8.190 nan 0.000 0.451 299 T N -0.821 113.745 114.554 0.020 0.000 2.923 299 T HA 0.386 4.736 4.350 0.000 0.000 0.311 299 T C 0.666 175.371 174.700 0.008 0.000 1.183 299 T CA 0.094 62.202 62.100 0.013 0.000 1.020 299 T CB 1.506 70.380 68.868 0.010 0.000 1.165 299 T HN 0.623 nan 8.240 nan 0.000 0.482 300 S N 1.000 116.704 115.700 0.008 0.000 2.420 300 S HA -0.135 4.335 4.470 0.000 0.000 0.237 300 S C 1.261 175.861 174.600 -0.001 0.000 1.023 300 S CA 1.613 59.816 58.200 0.005 0.000 0.991 300 S CB -0.378 62.825 63.200 0.005 0.000 0.792 300 S HN 0.813 nan 8.310 nan 0.000 0.488 301 D N 1.262 121.661 120.400 -0.003 0.000 2.277 301 D HA 0.174 4.814 4.640 0.000 0.000 0.209 301 D C 2.149 178.440 176.300 -0.015 0.000 0.970 301 D CA 0.851 54.847 54.000 -0.007 0.000 0.874 301 D CB -0.205 40.592 40.800 -0.005 0.000 0.982 301 D HN 0.436 nan 8.370 nan 0.000 0.504 302 A N 1.231 124.042 122.820 -0.015 0.000 1.969 302 A HA -0.125 4.195 4.320 0.000 0.000 0.218 302 A C 1.291 178.843 177.584 -0.054 0.000 1.169 302 A CA 0.642 52.662 52.037 -0.028 0.000 0.635 302 A CB -0.348 18.641 19.000 -0.018 0.000 0.810 302 A HN 0.048 nan 8.150 nan 0.000 0.445 303 Q N -0.438 119.333 119.800 -0.050 0.000 3.002 303 Q HA -0.111 4.229 4.340 0.000 0.000 0.384 303 Q C 0.721 176.649 176.000 -0.120 0.000 1.084 303 Q CA 0.675 56.431 55.803 -0.078 0.000 1.189 303 Q CB 0.313 29.039 28.738 -0.020 0.000 1.072 303 Q HN 0.696 nan 8.270 nan 0.000 0.443 304 I N 2.261 122.662 120.570 -0.283 0.000 3.265 304 I HA 0.064 4.234 4.170 0.000 0.000 0.282 304 I C 0.105 176.169 176.117 -0.089 0.000 1.207 304 I CA 0.182 61.295 61.300 -0.312 0.000 1.449 304 I CB 0.427 38.075 38.000 -0.586 0.000 1.121 304 I HN 0.386 nan 8.210 nan 0.000 0.442 305 F N 0.857 120.873 119.950 0.111 0.000 2.377 305 F HA 0.308 4.835 4.527 0.000 0.000 0.335 305 F C 1.184 176.955 175.800 -0.049 0.000 1.099 305 F CA -0.696 57.336 58.000 0.053 0.000 1.072 305 F CB 0.258 39.264 39.000 0.011 0.000 1.417 305 F HN -0.059 nan 8.300 nan 0.000 0.495 306 N N -0.351 118.402 118.700 0.088 0.000 2.741 306 N HA -0.226 4.514 4.740 0.000 0.000 0.251 306 N C -1.413 174.027 175.510 -0.116 0.000 1.112 306 N CA 0.701 53.719 53.050 -0.053 0.000 0.750 306 N CB -0.984 37.492 38.487 -0.020 0.000 1.119 306 N HN 0.378 nan 8.380 nan 0.000 0.561 307 K N -0.230 120.049 120.400 -0.202 0.000 2.426 307 K HA 0.479 4.799 4.320 0.000 0.000 0.251 307 K C -2.636 173.647 176.600 -0.529 0.000 0.941 307 K CA -1.874 54.280 56.287 -0.223 0.000 0.808 307 K CB 2.281 34.759 32.500 -0.037 0.000 1.265 307 K HN -0.190 nan 8.250 nan 0.000 0.432 308 P HA 0.028 nan 4.420 nan 0.000 0.272 308 P C -1.228 175.639 177.300 -0.721 0.000 1.223 308 P CA 0.067 62.660 63.100 -0.845 0.000 0.784 308 P CB 0.377 31.524 31.700 -0.922 0.000 0.923 309 Y N 0.060 119.907 120.300 -0.755 0.000 2.341 309 Y HA 0.337 4.887 4.550 0.000 0.000 0.338 309 Y C -0.183 175.316 175.900 -0.669 0.000 0.965 309 Y CA -0.919 56.832 58.100 -0.582 0.000 1.108 309 Y CB 1.599 39.642 38.460 -0.695 0.000 1.180 309 Y HN 0.339 nan 8.280 nan 0.000 0.458 310 W N 5.515 126.859 121.300 0.073 0.000 2.299 310 W HA 0.449 5.110 4.660 0.000 0.000 0.319 310 W C -0.554 175.986 176.519 0.035 0.000 1.008 310 W CA -1.026 56.336 57.345 0.028 0.000 1.384 310 W CB 0.984 30.475 29.460 0.052 0.000 1.220 310 W HN 0.422 nan 8.180 nan 0.000 0.402 311 L N 2.338 123.671 121.223 0.183 0.000 2.376 311 L HA 0.176 4.516 4.340 0.000 0.000 0.250 311 L C 1.583 178.553 176.870 0.166 0.000 1.335 311 L CA -0.208 54.739 54.840 0.178 0.000 1.214 311 L CB -0.398 41.732 42.059 0.118 0.000 1.395 311 L HN 0.567 nan 8.230 nan 0.000 0.424 312 Q N 0.862 120.778 119.800 0.193 0.000 1.965 312 Q HA -0.041 4.299 4.340 0.000 0.000 0.200 312 Q C 0.208 176.270 176.000 0.102 0.000 0.981 312 Q CA 0.830 56.713 55.803 0.133 0.000 0.834 312 Q CB -0.183 28.622 28.738 0.112 0.000 0.900 312 Q HN 0.519 nan 8.270 nan 0.000 0.426 313 R N 0.679 121.248 120.500 0.115 0.000 2.343 313 R HA 0.584 4.925 4.340 0.000 0.000 0.320 313 R C -1.062 175.317 176.300 0.131 0.000 0.956 313 R CA 0.164 56.322 56.100 0.097 0.000 0.836 313 R CB 1.860 32.207 30.300 0.078 0.000 1.151 313 R HN 0.426 nan 8.270 nan 0.000 0.450 314 A N 2.004 124.898 122.820 0.123 0.000 2.286 314 A HA 0.217 4.537 4.320 0.000 0.000 0.286 314 A C 0.817 178.510 177.584 0.182 0.000 1.097 314 A CA -0.517 51.635 52.037 0.190 0.000 0.821 314 A CB 0.688 19.793 19.000 0.176 0.000 1.076 314 A HN 0.839 nan 8.150 nan 0.000 0.490 315 Q N 1.277 121.219 119.800 0.236 0.000 2.119 315 Q HA 0.138 4.478 4.340 0.000 0.000 0.201 315 Q C 0.906 176.982 176.000 0.126 0.000 0.972 315 Q CA 1.511 57.419 55.803 0.176 0.000 0.847 315 Q CB -0.810 28.060 28.738 0.221 0.000 0.903 315 Q HN 0.757 nan 8.270 nan 0.000 0.433 316 G N -1.226 107.681 108.800 0.179 0.000 2.535 316 G HA2 0.285 4.245 3.960 0.000 0.000 0.303 316 G HA3 0.285 4.245 3.960 0.000 0.000 0.303 316 G C -0.511 174.455 174.900 0.109 0.000 1.237 316 G CA -0.260 44.934 45.100 0.156 0.000 0.986 316 G HN 0.356 nan 8.290 nan 0.000 0.494 317 H N -0.785 118.400 119.070 0.191 0.000 2.390 317 H HA -0.088 4.468 4.556 0.000 0.000 0.298 317 H C 1.404 176.875 175.328 0.238 0.000 1.106 317 H CA 1.365 57.538 56.048 0.207 0.000 1.297 317 H CB 0.183 30.087 29.762 0.237 0.000 1.375 317 H HN 0.344 nan 8.280 nan 0.000 0.509 318 N N 1.376 120.335 118.700 0.431 0.000 2.470 318 N HA -0.085 4.655 4.740 0.000 0.000 0.268 318 N C -0.645 175.007 175.510 0.237 0.000 1.136 318 N CA 0.027 53.313 53.050 0.394 0.000 0.961 318 N CB 0.347 39.154 38.487 0.533 0.000 1.067 318 N HN 0.178 nan 8.380 nan 0.000 0.468 319 N N 2.650 121.393 118.700 0.072 0.000 3.322 319 N HA 0.166 4.906 4.740 0.000 0.000 0.290 319 N C 0.241 175.607 175.510 -0.239 0.000 1.297 319 N CA 0.150 53.175 53.050 -0.041 0.000 1.167 319 N CB -0.622 37.855 38.487 -0.017 0.000 1.434 319 N HN 0.803 nan 8.380 nan 0.000 0.526 320 G N 1.877 110.311 108.800 -0.611 0.000 2.356 320 G HA2 -0.238 3.722 3.960 0.000 0.000 0.296 320 G HA3 -0.238 3.722 3.960 0.000 0.000 0.296 320 G C 0.117 174.768 174.900 -0.416 0.000 1.022 320 G CA -0.136 44.365 45.100 -0.998 0.000 0.961 320 G HN 0.456 nan 8.290 nan 0.000 0.510 321 I N 0.318 120.688 120.570 -0.332 0.000 2.312 321 I HA 0.152 4.323 4.170 0.000 0.000 0.291 321 I C 0.880 176.764 176.117 -0.389 0.000 1.031 321 I CA -0.577 60.450 61.300 -0.456 0.000 1.293 321 I CB 0.928 38.475 38.000 -0.754 0.000 1.403 321 I HN 0.167 nan 8.210 nan 0.000 0.484 322 C N 6.104 125.282 119.300 -0.203 0.000 2.484 322 C HA 0.209 4.670 4.460 0.000 0.000 0.494 322 C C 0.429 175.434 174.990 0.025 0.000 1.052 322 C CA -1.189 57.828 59.018 -0.001 0.000 1.307 322 C CB -2.177 25.596 27.740 0.054 0.000 1.464 322 C HN 0.628 nan 8.230 nan 0.000 0.564 323 W N 1.557 122.945 121.300 0.148 0.000 2.314 323 W HA 0.161 4.821 4.660 0.000 0.000 0.339 323 W C 1.196 177.730 176.519 0.025 0.000 1.293 323 W CA 0.627 58.012 57.345 0.068 0.000 1.288 323 W CB 0.090 29.565 29.460 0.025 0.000 1.186 323 W HN 0.760 nan 8.180 nan 0.000 0.566 324 S N 2.445 118.289 115.700 0.239 0.000 3.812 324 S HA -0.290 4.180 4.470 0.000 0.000 0.341 324 S C 0.054 174.709 174.600 0.091 0.000 1.057 324 S CA 0.597 58.853 58.200 0.093 0.000 1.015 324 S CB -2.011 61.228 63.200 0.065 0.000 0.893 324 S HN 0.773 nan 8.310 nan 0.000 0.476 325 N N 0.007 118.770 118.700 0.105 0.000 2.702 325 N HA -0.229 4.511 4.740 0.000 0.000 0.255 325 N C -0.216 175.269 175.510 -0.041 0.000 0.983 325 N CA 1.378 54.447 53.050 0.031 0.000 0.768 325 N CB -0.622 37.877 38.487 0.019 0.000 0.918 325 N HN 0.822 nan 8.380 nan 0.000 0.540 326 Q N -0.160 119.644 119.800 0.007 0.000 2.331 326 Q HA 0.646 4.986 4.340 0.000 0.000 0.272 326 Q C -0.974 175.066 176.000 0.067 0.000 1.062 326 Q CA -0.505 55.297 55.803 -0.002 0.000 0.806 326 Q CB 2.253 31.043 28.738 0.086 0.000 1.312 326 Q HN 0.222 nan 8.270 nan 0.000 0.431 327 L N 2.887 124.088 121.223 -0.037 0.000 2.455 327 L HA 0.577 4.917 4.340 0.000 0.000 0.264 327 L C -1.590 175.286 176.870 0.011 0.000 0.968 327 L CA -0.668 54.222 54.840 0.083 0.000 0.827 327 L CB 1.771 43.829 42.059 -0.001 0.000 1.317 327 L HN 0.611 nan 8.230 nan 0.000 0.407 328 F N 2.687 122.653 119.950 0.026 0.000 2.499 328 F HA 0.447 4.974 4.527 0.000 0.000 0.333 328 F C -0.121 175.717 175.800 0.065 0.000 1.138 328 F CA -0.701 57.285 58.000 -0.023 0.000 0.945 328 F CB 2.009 40.912 39.000 -0.161 0.000 1.181 328 F HN -0.081 nan 8.300 nan 0.000 0.435 329 V N 3.152 123.255 119.914 0.315 0.000 2.304 329 V HA 0.307 4.427 4.120 0.000 0.000 0.278 329 V C -0.208 176.068 176.094 0.302 0.000 1.018 329 V CA -0.688 61.810 62.300 0.330 0.000 0.814 329 V CB 1.210 33.249 31.823 0.360 0.000 1.021 329 V HN 0.770 nan 8.190 nan 0.000 0.440 330 T N 3.960 118.645 114.554 0.219 0.000 2.869 330 T HA 0.617 4.967 4.350 0.000 0.000 0.295 330 T C -0.253 174.582 174.700 0.224 0.000 0.987 330 T CA -0.396 61.806 62.100 0.171 0.000 1.109 330 T CB 1.666 70.612 68.868 0.129 0.000 0.932 330 T HN 0.334 nan 8.240 nan 0.000 0.518 331 V N 3.499 123.522 119.914 0.183 0.000 2.737 331 V HA 0.364 4.485 4.120 0.000 0.000 0.298 331 V C -0.675 175.508 176.094 0.149 0.000 1.163 331 V CA -0.769 61.658 62.300 0.211 0.000 0.925 331 V CB 2.157 34.104 31.823 0.207 0.000 1.037 331 V HN 0.788 nan 8.190 nan 0.000 0.433 332 V N 3.425 123.459 119.914 0.200 0.000 2.715 332 V HA 0.789 4.909 4.120 0.000 0.000 0.310 332 V C -0.939 175.347 176.094 0.320 0.000 1.054 332 V CA -0.439 61.934 62.300 0.122 0.000 0.928 332 V CB 2.197 33.967 31.823 -0.088 0.000 1.007 332 V HN 0.931 nan 8.190 nan 0.000 0.437 333 D N 1.444 122.000 120.400 0.260 0.000 2.296 333 D HA 0.150 4.790 4.640 0.000 0.000 0.224 333 D C 0.388 176.823 176.300 0.226 0.000 1.324 333 D CA 0.054 54.261 54.000 0.346 0.000 0.940 333 D CB 1.457 42.521 40.800 0.441 0.000 1.492 333 D HN 0.621 nan 8.370 nan 0.000 0.531 334 T N -0.988 113.676 114.554 0.184 0.000 3.086 334 T HA 0.039 4.389 4.350 0.000 0.000 0.250 334 T C 1.718 176.501 174.700 0.138 0.000 1.074 334 T CA 0.738 62.935 62.100 0.163 0.000 0.988 334 T CB 0.068 69.025 68.868 0.149 0.000 0.988 334 T HN 0.345 nan 8.240 nan 0.000 0.530 335 T N 1.054 115.691 114.554 0.138 0.000 2.962 335 T HA -0.029 4.322 4.350 0.000 0.000 0.270 335 T C 1.701 176.454 174.700 0.088 0.000 1.088 335 T CA 0.305 62.466 62.100 0.102 0.000 1.127 335 T CB -0.342 68.586 68.868 0.100 0.000 0.883 335 T HN 0.477 nan 8.240 nan 0.000 0.493 336 R N 1.393 121.960 120.500 0.112 0.000 2.468 336 R HA 0.255 4.596 4.340 0.000 0.000 0.280 336 R C 2.035 178.420 176.300 0.142 0.000 0.963 336 R CA 0.505 56.667 56.100 0.103 0.000 1.083 336 R CB 0.050 30.400 30.300 0.084 0.000 1.200 336 R HN 0.554 nan 8.270 nan 0.000 0.541 337 S N 0.526 116.303 115.700 0.127 0.000 2.609 337 S HA -0.114 4.356 4.470 0.000 0.000 0.250 337 S C 0.731 175.157 174.600 -0.290 0.000 0.974 337 S CA 0.334 58.585 58.200 0.084 0.000 0.962 337 S CB -0.939 62.329 63.200 0.114 0.000 0.756 337 S HN 0.226 nan 8.310 nan 0.000 0.539 338 T N 2.975 117.375 114.554 -0.257 0.000 2.905 338 T HA 0.102 4.452 4.350 0.000 0.000 0.299 338 T C -0.190 174.180 174.700 -0.549 0.000 1.024 338 T CA -0.250 61.666 62.100 -0.307 0.000 1.151 338 T CB -0.349 68.422 68.868 -0.163 0.000 0.987 338 T HN 0.596 nan 8.240 nan 0.000 0.535 339 N N 3.218 121.699 118.700 -0.364 0.000 2.511 339 N HA 0.362 5.102 4.740 0.000 0.000 0.249 339 N C 0.279 175.678 175.510 -0.185 0.000 0.971 339 N CA -0.765 52.094 53.050 -0.318 0.000 0.938 339 N CB 0.912 39.199 38.487 -0.332 0.000 1.131 339 N HN 0.672 nan 8.380 nan 0.000 0.505 340 M N 0.002 119.527 119.600 -0.124 0.000 2.245 340 M HA 0.288 4.768 4.480 0.000 0.000 0.344 340 M C -0.415 175.846 176.300 -0.066 0.000 1.170 340 M CA -0.120 55.137 55.300 -0.070 0.000 1.135 340 M CB 0.357 32.939 32.600 -0.029 0.000 1.574 340 M HN 0.345 nan 8.290 nan 0.000 0.452 341 S N 2.555 118.230 115.700 -0.042 0.000 2.489 341 S HA 0.703 5.174 4.470 0.000 0.000 0.291 341 S C -0.108 174.509 174.600 0.029 0.000 1.151 341 S CA -0.963 57.225 58.200 -0.019 0.000 1.082 341 S CB 1.585 64.771 63.200 -0.023 0.000 1.019 341 S HN 0.798 nan 8.310 nan 0.000 0.492 342 V N -0.307 119.657 119.914 0.083 0.000 2.495 342 V HA 0.768 4.889 4.120 0.000 0.000 0.298 342 V C -0.178 176.029 176.094 0.188 0.000 1.031 342 V CA -0.974 61.395 62.300 0.114 0.000 0.871 342 V CB 0.512 32.402 31.823 0.111 0.000 0.988 342 V HN 1.161 nan 8.190 nan 0.000 0.432 343 C N 4.499 123.897 119.300 0.163 0.000 2.345 343 C HA 0.832 5.292 4.460 0.000 0.000 0.323 343 C C 0.171 175.309 174.990 0.245 0.000 1.276 343 C CA 0.227 59.366 59.018 0.202 0.000 1.543 343 C CB 0.638 28.462 27.740 0.140 0.000 2.211 343 C HN 1.201 nan 8.230 nan 0.000 0.493 344 S N 3.822 119.700 115.700 0.296 0.000 2.502 344 S HA 0.784 5.254 4.470 0.000 0.000 0.304 344 S C -0.065 174.657 174.600 0.203 0.000 1.097 344 S CA -0.169 58.170 58.200 0.231 0.000 1.045 344 S CB 1.252 64.581 63.200 0.216 0.000 1.019 344 S HN 1.359 nan 8.310 nan 0.000 0.481 345 A N 3.491 126.366 122.820 0.092 0.000 2.322 345 A HA 0.512 4.832 4.320 0.000 0.000 0.269 345 A C 1.087 178.558 177.584 -0.188 0.000 1.094 345 A CA -0.493 51.409 52.037 -0.224 0.000 0.807 345 A CB 0.391 19.124 19.000 -0.445 0.000 1.047 345 A HN 0.822 nan 8.150 nan 0.000 0.487 346 V N 0.918 120.669 119.914 -0.271 0.000 2.951 346 V HA 0.040 4.161 4.120 0.000 0.000 0.255 346 V C 0.539 176.547 176.094 -0.144 0.000 1.088 346 V CA 1.771 63.977 62.300 -0.156 0.000 1.109 346 V CB -0.832 30.906 31.823 -0.141 0.000 0.724 346 V HN 1.058 nan 8.190 nan 0.000 0.471 347 S N -1.396 114.185 115.700 -0.198 0.000 2.561 347 S HA 0.118 4.588 4.470 0.000 0.000 0.292 347 S C 0.104 174.608 174.600 -0.159 0.000 1.107 347 S CA 0.024 58.142 58.200 -0.138 0.000 0.969 347 S CB 0.889 64.025 63.200 -0.107 0.000 1.150 347 S HN 0.330 nan 8.310 nan 0.000 0.451 348 S N 1.226 116.862 115.700 -0.108 0.000 3.009 348 S HA 0.065 4.535 4.470 0.000 0.000 0.243 348 S C 1.326 175.899 174.600 -0.045 0.000 1.012 348 S CA 0.231 58.386 58.200 -0.075 0.000 1.113 348 S CB -0.899 62.282 63.200 -0.031 0.000 0.827 348 S HN 1.129 nan 8.310 nan 0.000 0.495 349 S N 0.154 115.819 115.700 -0.059 0.000 2.458 349 S HA 0.071 4.541 4.470 0.000 0.000 0.223 349 S C 0.341 174.924 174.600 -0.028 0.000 1.019 349 S CA -0.261 57.917 58.200 -0.037 0.000 0.937 349 S CB -0.318 62.859 63.200 -0.039 0.000 0.788 349 S HN 0.505 nan 8.310 nan 0.000 0.511 350 D N 2.370 122.744 120.400 -0.044 0.000 2.339 350 D HA 0.294 4.934 4.640 0.000 0.000 0.245 350 D C 0.728 177.034 176.300 0.011 0.000 1.115 350 D CA 0.426 54.412 54.000 -0.024 0.000 0.917 350 D CB 1.460 42.231 40.800 -0.048 0.000 1.192 350 D HN 0.458 nan 8.370 nan 0.000 0.428 351 S N -1.254 114.464 115.700 0.029 0.000 2.666 351 S HA 0.128 4.598 4.470 0.000 0.000 0.239 351 S C 0.422 175.067 174.600 0.075 0.000 1.031 351 S CA -0.361 57.869 58.200 0.051 0.000 1.015 351 S CB 0.430 63.652 63.200 0.037 0.000 0.981 351 S HN 0.298 nan 8.310 nan 0.000 0.547 352 T N 2.045 116.646 114.554 0.079 0.000 2.841 352 T HA 0.411 4.762 4.350 0.000 0.000 0.283 352 T C -1.381 173.413 174.700 0.156 0.000 1.000 352 T CA -0.467 61.698 62.100 0.108 0.000 0.977 352 T CB 1.159 70.073 68.868 0.076 0.000 0.979 352 T HN 0.334 nan 8.240 nan 0.000 0.446 353 Y N 3.187 123.554 120.300 0.112 0.000 2.496 353 Y HA 0.324 4.874 4.550 0.000 0.000 0.334 353 Y C 0.221 176.217 175.900 0.160 0.000 1.080 353 Y CA 0.287 58.488 58.100 0.168 0.000 1.355 353 Y CB 0.214 38.719 38.460 0.076 0.000 1.193 353 Y HN 0.407 nan 8.280 nan 0.000 0.523 354 K N 5.673 125.975 120.400 -0.162 0.000 2.613 354 K HA 0.177 4.498 4.320 0.000 0.000 0.248 354 K C 0.173 176.709 176.600 -0.107 0.000 0.959 354 K CA -0.582 55.670 56.287 -0.058 0.000 0.855 354 K CB 1.346 33.832 32.500 -0.024 0.000 1.143 354 K HN 0.774 nan 8.250 nan 0.000 0.437 355 N N 1.520 120.225 118.700 0.008 0.000 2.091 355 N HA -0.232 4.508 4.740 0.000 0.000 0.193 355 N C 0.699 176.267 175.510 0.096 0.000 1.021 355 N CA 1.617 54.720 53.050 0.087 0.000 0.862 355 N CB 0.082 38.655 38.487 0.142 0.000 1.018 355 N HN 0.543 nan 8.380 nan 0.000 0.429 356 D N 0.139 120.564 120.400 0.041 0.000 2.190 356 D HA -0.173 4.467 4.640 0.000 0.000 0.200 356 D C 1.032 177.303 176.300 -0.049 0.000 0.992 356 D CA 0.970 54.973 54.000 0.005 0.000 0.854 356 D CB -0.481 40.312 40.800 -0.011 0.000 0.936 356 D HN 0.338 nan 8.370 nan 0.000 0.462 357 N N -0.906 117.716 118.700 -0.130 0.000 2.434 357 N HA -0.012 4.729 4.740 0.000 0.000 0.196 357 N C -1.011 174.135 175.510 -0.608 0.000 1.183 357 N CA 0.081 52.899 53.050 -0.387 0.000 0.849 357 N CB 0.023 38.186 38.487 -0.539 0.000 0.992 357 N HN -0.082 nan 8.380 nan 0.000 0.460 358 F N -0.698 119.193 119.950 -0.099 0.000 2.613 358 F HA 0.474 5.001 4.527 0.000 0.000 0.310 358 F C -0.348 175.431 175.800 -0.035 0.000 1.085 358 F CA -1.048 56.917 58.000 -0.058 0.000 0.945 358 F CB 1.714 40.671 39.000 -0.071 0.000 1.298 358 F HN -0.358 nan 8.300 nan 0.000 0.455 359 K N 2.040 122.558 120.400 0.197 0.000 2.507 359 K HA 0.346 4.666 4.320 0.000 0.000 0.252 359 K C -1.228 175.361 176.600 -0.019 0.000 0.943 359 K CA -0.915 55.379 56.287 0.013 0.000 0.808 359 K CB 2.543 35.063 32.500 0.033 0.000 1.142 359 K HN 0.499 nan 8.250 nan 0.000 0.426 360 E N 2.535 122.645 120.200 -0.150 0.000 2.227 360 E HA 0.275 4.625 4.350 0.000 0.000 0.282 360 E C -0.858 175.543 176.600 -0.331 0.000 1.015 360 E CA -0.263 56.069 56.400 -0.114 0.000 0.823 360 E CB 1.053 30.724 29.700 -0.050 0.000 1.081 360 E HN 0.392 nan 8.360 nan 0.000 0.396 361 Y N 0.693 121.018 120.300 0.041 0.000 2.492 361 Y HA 0.364 4.914 4.550 0.000 0.000 0.346 361 Y C -0.120 175.753 175.900 -0.045 0.000 0.997 361 Y CA -0.737 57.385 58.100 0.037 0.000 1.025 361 Y CB 1.727 40.216 38.460 0.049 0.000 1.263 361 Y HN 0.271 nan 8.280 nan 0.000 0.454 362 L N 4.735 125.949 121.223 -0.016 0.000 2.287 362 L HA 0.615 4.955 4.340 0.000 0.000 0.287 362 L C -0.566 176.142 176.870 -0.269 0.000 1.022 362 L CA -0.780 53.901 54.840 -0.264 0.000 0.814 362 L CB 0.863 42.534 42.059 -0.646 0.000 1.217 362 L HN 0.537 nan 8.230 nan 0.000 0.420 363 R N 2.127 122.537 120.500 -0.151 0.000 2.750 363 R HA 0.513 4.853 4.340 0.000 0.000 0.281 363 R C -1.243 175.053 176.300 -0.007 0.000 0.972 363 R CA -0.788 55.266 56.100 -0.077 0.000 0.912 363 R CB 2.169 32.468 30.300 -0.002 0.000 1.187 363 R HN 0.655 nan 8.270 nan 0.000 0.464 364 H N -0.546 118.470 119.070 -0.089 0.000 2.865 364 H HA 0.550 5.107 4.556 0.000 0.000 0.362 364 H C -0.946 174.388 175.328 0.011 0.000 1.114 364 H CA -0.767 55.253 56.048 -0.046 0.000 1.208 364 H CB 2.149 31.874 29.762 -0.062 0.000 1.727 364 H HN 0.768 nan 8.280 nan 0.000 0.534 365 G N 3.548 112.467 108.800 0.199 0.000 2.574 365 G HA2 0.225 4.186 3.960 0.000 0.000 0.306 365 G HA3 0.225 4.186 3.960 0.000 0.000 0.306 365 G C -0.856 174.048 174.900 0.007 0.000 1.334 365 G CA -0.493 44.633 45.100 0.045 0.000 0.954 365 G HN 0.514 nan 8.290 nan 0.000 0.500 366 E N 0.600 120.789 120.200 -0.018 0.000 2.373 366 E HA 0.337 4.687 4.350 0.000 0.000 0.263 366 E C -0.088 176.614 176.600 0.170 0.000 1.073 366 E CA -0.207 56.247 56.400 0.090 0.000 0.894 366 E CB 1.291 31.136 29.700 0.242 0.000 1.008 366 E HN 0.610 nan 8.360 nan 0.000 0.420 367 E N 3.132 123.376 120.200 0.074 0.000 2.409 367 E HA 0.161 4.511 4.350 0.000 0.000 0.259 367 E C -1.261 175.296 176.600 -0.072 0.000 0.932 367 E CA -0.377 56.065 56.400 0.069 0.000 0.809 367 E CB 0.315 30.023 29.700 0.014 0.000 1.341 367 E HN 0.373 nan 8.360 nan 0.000 0.405 368 Y N 1.501 121.737 120.300 -0.107 0.000 2.565 368 Y HA 0.531 5.081 4.550 0.000 0.000 0.325 368 Y C 0.002 175.764 175.900 -0.230 0.000 1.221 368 Y CA -0.807 57.163 58.100 -0.218 0.000 1.316 368 Y CB 1.319 39.575 38.460 -0.340 0.000 1.404 368 Y HN 0.527 nan 8.280 nan 0.000 0.527 369 D N 0.050 120.386 120.400 -0.107 0.000 2.738 369 D HA 0.370 5.010 4.640 0.000 0.000 0.218 369 D C -2.060 174.066 176.300 -0.289 0.000 1.345 369 D CA -0.274 53.628 54.000 -0.163 0.000 0.943 369 D CB 0.694 41.419 40.800 -0.124 0.000 1.514 369 D HN 0.443 nan 8.370 nan 0.000 0.585 370 L N 3.536 124.556 121.223 -0.339 0.000 2.287 370 L HA 0.517 4.858 4.340 0.000 0.000 0.287 370 L C -0.016 176.516 176.870 -0.563 0.000 1.022 370 L CA -0.642 53.889 54.840 -0.515 0.000 0.814 370 L CB 1.532 43.304 42.059 -0.478 0.000 1.217 370 L HN 0.387 nan 8.230 nan 0.000 0.420 371 Q N 3.046 122.355 119.800 -0.819 0.000 2.348 371 Q HA 0.739 5.079 4.340 0.000 0.000 0.271 371 Q C -1.427 173.862 176.000 -1.185 0.000 1.067 371 Q CA -0.631 54.729 55.803 -0.738 0.000 0.839 371 Q CB 2.914 31.381 28.738 -0.452 0.000 1.354 371 Q HN 0.352 nan 8.270 nan 0.000 0.447 372 F N 0.121 119.639 119.950 -0.721 0.000 2.726 372 F HA 0.662 5.189 4.527 0.000 0.000 0.324 372 F C -0.702 174.473 175.800 -1.040 0.000 1.140 372 F CA -0.937 56.544 58.000 -0.865 0.000 0.964 372 F CB 1.654 40.047 39.000 -1.013 0.000 1.399 372 F HN 0.296 nan 8.300 nan 0.000 0.491 373 I N 1.448 121.493 120.570 -0.875 0.000 2.599 373 I HA 0.279 4.449 4.170 0.000 0.000 0.285 373 I C -1.449 174.225 176.117 -0.738 0.000 1.168 373 I CA -0.030 60.826 61.300 -0.739 0.000 1.060 373 I CB 1.282 38.993 38.000 -0.481 0.000 1.249 373 I HN 0.351 nan 8.210 nan 0.000 0.442 374 F N 3.431 123.226 119.950 -0.259 0.000 2.535 374 F HA 0.633 5.160 4.527 0.000 0.000 0.367 374 F C 0.217 176.041 175.800 0.040 0.000 1.096 374 F CA -0.660 57.279 58.000 -0.101 0.000 1.088 374 F CB 0.906 39.779 39.000 -0.212 0.000 1.387 374 F HN 0.273 nan 8.300 nan 0.000 0.494 375 Q N 1.387 121.398 119.800 0.352 0.000 2.271 375 Q HA 0.394 4.734 4.340 0.000 0.000 0.268 375 Q C -1.663 174.385 176.000 0.081 0.000 1.021 375 Q CA -1.073 54.710 55.803 -0.033 0.000 0.802 375 Q CB 2.486 31.074 28.738 -0.249 0.000 1.282 375 Q HN 0.684 nan 8.270 nan 0.000 0.431 376 L N 2.924 124.111 121.223 -0.059 0.000 2.456 376 L HA 0.299 4.639 4.340 0.000 0.000 0.272 376 L C -1.365 175.317 176.870 -0.312 0.000 1.189 376 L CA 0.646 55.269 54.840 -0.360 0.000 0.846 376 L CB 0.794 42.532 42.059 -0.534 0.000 1.111 376 L HN 0.789 nan 8.230 nan 0.000 0.475 377 C N 4.680 123.763 119.300 -0.361 0.000 2.608 377 C HA 0.498 4.958 4.460 0.000 0.000 0.325 377 C C -0.599 174.262 174.990 -0.215 0.000 1.147 377 C CA -1.230 57.651 59.018 -0.227 0.000 1.359 377 C CB 1.651 29.300 27.740 -0.152 0.000 1.912 377 C HN 0.890 nan 8.230 nan 0.000 0.466 378 K N 3.228 123.545 120.400 -0.139 0.000 2.138 378 K HA 0.847 5.167 4.320 0.000 0.000 0.263 378 K C -1.164 175.445 176.600 0.014 0.000 0.965 378 K CA -0.308 55.923 56.287 -0.094 0.000 0.868 378 K CB 1.055 33.521 32.500 -0.057 0.000 1.083 378 K HN 0.697 nan 8.250 nan 0.000 0.443 379 I N 2.675 123.258 120.570 0.022 0.000 2.418 379 I HA 0.141 4.311 4.170 0.000 0.000 0.287 379 I C -0.604 175.554 176.117 0.067 0.000 1.008 379 I CA -1.051 60.318 61.300 0.115 0.000 1.104 379 I CB 2.045 40.184 38.000 0.231 0.000 1.264 379 I HN 0.655 nan 8.210 nan 0.000 0.438 380 T N 7.215 121.829 114.554 0.099 0.000 2.727 380 T HA 0.339 4.690 4.350 0.000 0.000 0.295 380 T C 0.309 175.053 174.700 0.075 0.000 0.915 380 T CA -0.346 61.797 62.100 0.070 0.000 1.066 380 T CB 0.032 68.944 68.868 0.073 0.000 0.891 380 T HN 0.311 nan 8.240 nan 0.000 0.516 381 L N 5.247 126.498 121.223 0.047 0.000 2.454 381 L HA 0.234 4.575 4.340 0.000 0.000 0.284 381 L C 1.405 178.308 176.870 0.055 0.000 1.139 381 L CA -0.498 54.383 54.840 0.069 0.000 0.911 381 L CB -0.748 41.351 42.059 0.066 0.000 1.262 381 L HN 0.735 nan 8.230 nan 0.000 0.453 382 T N -1.155 113.435 114.554 0.059 0.000 2.889 382 T HA 0.595 4.945 4.350 0.000 0.000 0.278 382 T C 1.307 176.031 174.700 0.040 0.000 0.995 382 T CA -0.164 61.962 62.100 0.044 0.000 0.966 382 T CB 1.628 70.522 68.868 0.044 0.000 1.237 382 T HN 0.345 nan 8.240 nan 0.000 0.591 383 A N 0.920 123.758 122.820 0.030 0.000 1.849 383 A HA -0.169 4.152 4.320 0.000 0.000 0.217 383 A C 2.026 179.626 177.584 0.027 0.000 1.202 383 A CA 2.190 54.241 52.037 0.024 0.000 0.629 383 A CB -1.402 17.609 19.000 0.018 0.000 0.834 383 A HN 0.952 nan 8.150 nan 0.000 0.447 384 D N -0.432 119.986 120.400 0.029 0.000 2.078 384 D HA -0.105 4.535 4.640 0.000 0.000 0.193 384 D C 2.105 178.430 176.300 0.041 0.000 0.990 384 D CA 1.767 55.785 54.000 0.031 0.000 0.827 384 D CB -0.464 40.350 40.800 0.023 0.000 0.975 384 D HN 0.216 nan 8.370 nan 0.000 0.451 385 V N 1.447 121.384 119.914 0.038 0.000 2.453 385 V HA -0.257 3.863 4.120 0.000 0.000 0.252 385 V C 2.504 178.618 176.094 0.032 0.000 1.068 385 V CA 1.371 63.686 62.300 0.024 0.000 1.070 385 V CB -0.419 31.436 31.823 0.053 0.000 0.664 385 V HN 0.208 nan 8.190 nan 0.000 0.461 386 M N -0.626 119.006 119.600 0.053 0.000 2.200 386 M HA -0.126 4.354 4.480 0.000 0.000 0.265 386 M C 2.259 178.592 176.300 0.055 0.000 1.066 386 M CA 1.809 57.146 55.300 0.062 0.000 1.127 386 M CB -0.431 32.215 32.600 0.075 0.000 1.379 386 M HN 0.443 nan 8.290 nan 0.000 0.420 387 T N -0.449 114.133 114.554 0.046 0.000 2.674 387 T HA -0.221 4.130 4.350 0.000 0.000 0.265 387 T C 1.523 176.253 174.700 0.049 0.000 1.039 387 T CA 1.446 63.564 62.100 0.029 0.000 1.150 387 T CB -0.702 68.178 68.868 0.019 0.000 0.864 387 T HN 0.356 nan 8.240 nan 0.000 0.427 388 Y N 1.930 122.193 120.300 -0.062 0.000 2.139 388 Y HA -0.176 4.374 4.550 0.000 0.000 0.282 388 Y C 2.050 177.860 175.900 -0.151 0.000 1.179 388 Y CA 0.966 59.010 58.100 -0.093 0.000 1.161 388 Y CB -0.592 37.773 38.460 -0.158 0.000 0.970 388 Y HN 0.207 nan 8.280 nan 0.000 0.511 389 I N -1.005 119.418 120.570 -0.245 0.000 2.439 389 I HA -0.289 3.882 4.170 0.000 0.000 0.251 389 I C 2.503 178.401 176.117 -0.364 0.000 1.139 389 I CA 1.356 62.411 61.300 -0.408 0.000 1.438 389 I CB -0.698 37.129 38.000 -0.289 0.000 1.085 389 I HN 0.356 nan 8.210 nan 0.000 0.427 390 H N 1.596 120.508 119.070 -0.263 0.000 2.293 390 H HA -0.123 4.433 4.556 0.000 0.000 0.300 390 H C 2.283 177.471 175.328 -0.234 0.000 1.082 390 H CA 2.132 58.053 56.048 -0.212 0.000 1.308 390 H CB 0.143 29.831 29.762 -0.123 0.000 1.375 390 H HN 0.197 nan 8.280 nan 0.000 0.495 391 S N 0.716 116.421 115.700 0.009 0.000 2.402 391 S HA -0.120 4.350 4.470 0.000 0.000 0.229 391 S C 2.362 176.846 174.600 -0.193 0.000 1.021 391 S CA 1.100 59.289 58.200 -0.017 0.000 0.974 391 S CB -0.128 63.068 63.200 -0.007 0.000 0.800 391 S HN 0.418 nan 8.310 nan 0.000 0.484 392 M N 1.432 120.768 119.600 -0.441 0.000 2.074 392 M HA -0.039 4.441 4.480 0.000 0.000 0.259 392 M C 0.534 176.459 176.300 -0.625 0.000 1.079 392 M CA 1.496 56.330 55.300 -0.776 0.000 1.119 392 M CB 0.014 31.957 32.600 -1.096 0.000 1.297 392 M HN 0.298 nan 8.290 nan 0.000 0.416 393 N N -0.869 117.473 118.700 -0.598 0.000 2.478 393 N HA 0.232 4.973 4.740 0.000 0.000 0.291 393 N C -2.469 172.737 175.510 -0.507 0.000 1.090 393 N CA -1.533 51.224 53.050 -0.488 0.000 0.911 393 N CB 2.064 40.256 38.487 -0.492 0.000 1.546 393 N HN -0.060 nan 8.380 nan 0.000 0.500 394 P HA -0.085 nan 4.420 nan 0.000 0.217 394 P C 1.081 178.129 177.300 -0.420 0.000 1.150 394 P CA 1.049 63.802 63.100 -0.579 0.000 0.832 394 P CB 0.309 31.646 31.700 -0.605 0.000 0.787 395 S N 0.506 115.997 115.700 -0.349 0.000 2.374 395 S HA -0.168 4.302 4.470 0.000 0.000 0.227 395 S C 2.030 176.392 174.600 -0.395 0.000 1.037 395 S CA 1.306 59.331 58.200 -0.292 0.000 1.024 395 S CB -1.208 61.854 63.200 -0.229 0.000 0.861 395 S HN 0.150 nan 8.310 nan 0.000 0.456 396 I N 0.968 121.226 120.570 -0.519 0.000 2.185 396 I HA -0.257 3.913 4.170 0.000 0.000 0.246 396 I C 2.151 177.680 176.117 -0.981 0.000 1.088 396 I CA 1.375 62.196 61.300 -0.798 0.000 1.347 396 I CB -0.383 37.082 38.000 -0.892 0.000 1.041 396 I HN 0.238 nan 8.210 nan 0.000 0.415 397 L N -0.103 120.798 121.223 -0.537 0.000 2.127 397 L HA -0.117 4.223 4.340 0.000 0.000 0.203 397 L C 2.523 179.346 176.870 -0.078 0.000 1.080 397 L CA 1.165 55.893 54.840 -0.187 0.000 0.768 397 L CB -0.354 41.666 42.059 -0.064 0.000 0.924 397 L HN 0.176 nan 8.230 nan 0.000 0.444 398 E N -0.110 120.000 120.200 -0.151 0.000 2.072 398 E HA -0.205 4.145 4.350 0.000 0.000 0.191 398 E C 1.421 177.989 176.600 -0.054 0.000 0.985 398 E CA 1.154 57.509 56.400 -0.076 0.000 0.801 398 E CB -0.108 29.532 29.700 -0.099 0.000 0.750 398 E HN 0.412 nan 8.360 nan 0.000 0.452 399 D N -0.133 120.184 120.400 -0.138 0.000 2.351 399 D HA -0.137 4.504 4.640 0.000 0.000 0.216 399 D C 0.318 176.652 176.300 0.057 0.000 0.968 399 D CA 0.622 54.570 54.000 -0.086 0.000 0.899 399 D CB -0.054 40.645 40.800 -0.168 0.000 0.907 399 D HN 0.296 nan 8.370 nan 0.000 0.514 400 W N 2.449 123.752 121.300 0.005 0.000 2.960 400 W HA 0.167 4.827 4.660 0.001 0.000 0.442 400 W C 0.225 176.754 176.519 0.016 0.000 0.774 400 W CA -0.438 56.918 57.345 0.019 0.000 2.207 400 W CB -1.218 28.262 29.460 0.033 0.000 1.159 400 W HN 0.038 nan 8.180 nan 0.000 0.845 441 L N 1.040 122.303 121.223 0.067 0.000 3.347 441 L HA 0.391 4.731 4.340 0.000 0.000 0.306 441 L C 1.688 178.506 176.870 -0.087 0.000 1.301 441 L CA -0.265 54.635 54.840 0.101 0.000 0.985 441 L CB 1.166 43.457 42.059 0.387 0.000 1.400 441 L HN 0.025 nan 8.230 nan 0.000 0.601 442 K N 0.775 121.091 120.400 -0.139 0.000 2.209 442 K HA -0.089 4.231 4.320 0.000 0.000 0.204 442 K C 1.229 177.686 176.600 -0.237 0.000 1.048 442 K CA 1.167 57.363 56.287 -0.152 0.000 0.940 442 K CB 0.318 32.751 32.500 -0.112 0.000 0.729 442 K HN 0.416 nan 8.250 nan 0.000 0.451 443 N N -0.291 118.168 118.700 -0.402 0.000 2.422 443 N HA -0.037 4.703 4.740 0.000 0.000 0.181 443 N C -0.372 174.847 175.510 -0.485 0.000 1.080 443 N CA 0.460 53.242 53.050 -0.447 0.000 0.893 443 N CB 0.246 38.433 38.487 -0.501 0.000 0.973 443 N HN 0.184 nan 8.380 nan 0.000 0.456 444 Y N 0.817 120.957 120.300 -0.267 0.000 2.352 444 Y HA 0.256 4.807 4.550 0.000 0.000 0.326 444 Y C 0.687 176.127 175.900 -0.767 0.000 1.166 444 Y CA -1.044 56.745 58.100 -0.519 0.000 1.182 444 Y CB 1.180 39.272 38.460 -0.614 0.000 1.216 444 Y HN -0.187 nan 8.280 nan 0.000 0.474 445 T N 1.157 115.421 114.554 -0.484 0.000 2.788 445 T HA 0.627 4.977 4.350 0.000 0.000 0.296 445 T C -0.788 173.793 174.700 -0.199 0.000 1.009 445 T CA -0.657 61.241 62.100 -0.337 0.000 0.949 445 T CB -0.027 68.769 68.868 -0.121 0.000 0.946 445 T HN 0.421 nan 8.240 nan 0.000 0.453 446 F N 0.509 120.524 119.950 0.108 0.000 2.661 446 F HA 0.637 5.164 4.527 0.000 0.000 0.347 446 F C -0.230 175.650 175.800 0.133 0.000 1.086 446 F CA -1.744 56.327 58.000 0.118 0.000 1.016 446 F CB 1.506 40.598 39.000 0.153 0.000 1.368 446 F HN 0.490 nan 8.300 nan 0.000 0.505 447 W N 2.967 124.349 121.300 0.135 0.000 2.283 447 W HA 0.311 4.971 4.660 0.000 0.000 0.317 447 W C -0.833 175.788 176.519 0.171 0.000 1.042 447 W CA -0.821 56.571 57.345 0.079 0.000 1.348 447 W CB 0.728 30.154 29.460 -0.058 0.000 1.216 447 W HN 0.464 nan 8.180 nan 0.000 0.404 448 E N 4.430 124.887 120.200 0.430 0.000 2.265 448 E HA 0.151 4.501 4.350 0.000 0.000 0.272 448 E C -0.564 176.247 176.600 0.350 0.000 1.067 448 E CA -0.023 56.553 56.400 0.293 0.000 0.900 448 E CB 1.641 31.435 29.700 0.157 0.000 1.017 448 E HN 0.180 nan 8.360 nan 0.000 0.431 449 V N 3.892 123.954 119.914 0.246 0.000 2.376 449 V HA 0.132 4.253 4.120 0.000 0.000 0.287 449 V C -0.039 176.102 176.094 0.079 0.000 1.015 449 V CA -0.853 61.559 62.300 0.186 0.000 0.834 449 V CB 1.794 33.702 31.823 0.141 0.000 1.001 449 V HN 0.474 nan 8.190 nan 0.000 0.428 450 D N 4.464 124.914 120.400 0.084 0.000 2.373 450 D HA 0.377 5.018 4.640 0.000 0.000 0.227 450 D C 0.266 176.595 176.300 0.048 0.000 1.091 450 D CA -0.184 53.841 54.000 0.041 0.000 0.840 450 D CB 1.872 42.698 40.800 0.044 0.000 1.060 450 D HN 0.440 nan 8.370 nan 0.000 0.502 451 L N 3.650 124.885 121.223 0.019 0.000 2.857 451 L HA 0.141 4.481 4.340 0.000 0.000 0.249 451 L C 1.977 178.878 176.870 0.052 0.000 1.172 451 L CA -0.087 54.800 54.840 0.078 0.000 0.980 451 L CB 0.400 42.517 42.059 0.098 0.000 1.299 451 L HN 0.195 nan 8.230 nan 0.000 0.535 452 K N 0.490 120.862 120.400 -0.046 0.000 2.057 452 K HA -0.193 4.128 4.320 0.000 0.000 0.207 452 K C 1.302 177.889 176.600 -0.022 0.000 1.049 452 K CA 1.256 57.459 56.287 -0.140 0.000 0.931 452 K CB 0.204 32.650 32.500 -0.090 0.000 0.714 452 K HN 0.001 nan 8.250 nan 0.000 0.440 453 E N 0.433 120.677 120.200 0.074 0.000 2.437 453 E HA 0.005 4.355 4.350 0.000 0.000 0.189 453 E C 0.370 177.097 176.600 0.212 0.000 1.054 453 E CA 0.328 56.818 56.400 0.149 0.000 0.874 453 E CB 0.367 30.140 29.700 0.122 0.000 1.011 453 E HN 0.003 nan 8.360 nan 0.000 0.474 454 K N -0.188 120.358 120.400 0.242 0.000 2.387 454 K HA 0.117 4.438 4.320 0.000 0.000 0.198 454 K C -0.339 176.476 176.600 0.359 0.000 1.022 454 K CA -0.116 56.338 56.287 0.278 0.000 1.128 454 K CB 0.187 32.817 32.500 0.216 0.000 0.853 454 K HN 0.049 nan 8.250 nan 0.000 0.523 455 F N 0.894 120.922 119.950 0.130 0.000 2.399 455 F HA 0.194 4.722 4.527 0.000 0.000 0.342 455 F C 0.966 176.978 175.800 0.354 0.000 1.106 455 F CA -0.320 57.783 58.000 0.172 0.000 1.196 455 F CB 1.217 40.233 39.000 0.026 0.000 1.163 455 F HN -0.250 nan 8.300 nan 0.000 0.547 456 S N 1.031 116.997 115.700 0.443 0.000 2.627 456 S HA 0.796 5.266 4.470 0.000 0.000 0.283 456 S C -0.094 174.699 174.600 0.321 0.000 1.127 456 S CA -0.036 58.436 58.200 0.454 0.000 0.863 456 S CB 1.657 65.077 63.200 0.367 0.000 1.121 456 S HN 0.696 nan 8.310 nan 0.000 0.479 457 A N 1.295 124.153 122.820 0.062 0.000 2.545 457 A HA 0.358 4.679 4.320 0.000 0.000 0.263 457 A C -0.573 176.957 177.584 -0.091 0.000 1.202 457 A CA -0.231 51.563 52.037 -0.405 0.000 0.959 457 A CB 0.137 18.584 19.000 -0.921 0.000 1.124 457 A HN 0.701 nan 8.150 nan 0.000 0.543 458 D N 1.409 121.866 120.400 0.095 0.000 2.499 458 D HA 0.303 4.943 4.640 0.000 0.000 0.225 458 D C 1.191 177.617 176.300 0.210 0.000 1.124 458 D CA -0.280 53.788 54.000 0.115 0.000 0.938 458 D CB 0.954 41.811 40.800 0.095 0.000 1.014 458 D HN 0.240 nan 8.370 nan 0.000 0.517 459 L N 0.546 121.858 121.223 0.149 0.000 1.990 459 L HA -0.248 4.092 4.340 0.000 0.000 0.213 459 L C 2.117 179.142 176.870 0.258 0.000 1.072 459 L CA 1.335 56.298 54.840 0.205 0.000 0.755 459 L CB -0.412 41.730 42.059 0.139 0.000 0.889 459 L HN 0.269 nan 8.230 nan 0.000 0.432 460 D N -0.147 120.341 120.400 0.145 0.000 2.376 460 D HA -0.235 4.405 4.640 0.000 0.000 0.206 460 D C 1.863 178.173 176.300 0.017 0.000 1.001 460 D CA 1.212 55.262 54.000 0.084 0.000 0.937 460 D CB 0.047 40.872 40.800 0.042 0.000 0.883 460 D HN 0.313 nan 8.370 nan 0.000 0.466 461 Q N -0.949 118.822 119.800 -0.048 0.000 2.320 461 Q HA 0.139 4.479 4.340 0.000 0.000 0.201 461 Q C -0.504 174.989 176.000 -0.846 0.000 0.910 461 Q CA 0.180 55.688 55.803 -0.492 0.000 0.946 461 Q CB 0.173 28.504 28.738 -0.679 0.000 1.062 461 Q HN 0.305 nan 8.270 nan 0.000 0.503 462 F N -0.213 119.642 119.950 -0.159 0.000 2.588 462 F HA 0.342 4.869 4.527 0.000 0.000 0.310 462 F C -1.664 174.110 175.800 -0.043 0.000 1.082 462 F CA -2.653 55.243 58.000 -0.174 0.000 0.929 462 F CB 1.081 39.806 39.000 -0.459 0.000 1.254 462 F HN -0.286 nan 8.300 nan 0.000 0.455 463 P HA -0.193 nan 4.420 nan 0.000 0.214 463 P C 1.952 179.339 177.300 0.145 0.000 1.163 463 P CA 1.486 64.652 63.100 0.109 0.000 0.883 463 P CB 0.683 32.417 31.700 0.058 0.000 0.788 464 L N -0.526 120.788 121.223 0.151 0.000 2.051 464 L HA -0.173 4.167 4.340 0.000 0.000 0.214 464 L C 2.626 179.667 176.870 0.285 0.000 1.076 464 L CA 2.365 57.296 54.840 0.152 0.000 0.758 464 L CB -1.349 40.730 42.059 0.034 0.000 0.890 464 L HN 0.075 nan 8.230 nan 0.000 0.433 465 G N -0.952 108.039 108.800 0.318 0.000 2.421 465 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 465 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 465 G C 1.659 176.725 174.900 0.277 0.000 1.171 465 G CA 0.547 45.832 45.100 0.307 0.000 0.775 465 G HN 0.296 nan 8.290 nan 0.000 0.543 466 R N 0.464 121.092 120.500 0.214 0.000 2.080 466 R HA -0.059 4.281 4.340 0.000 0.000 0.236 466 R C 2.751 179.133 176.300 0.138 0.000 1.137 466 R CA 1.676 57.863 56.100 0.145 0.000 0.943 466 R CB -0.269 30.089 30.300 0.097 0.000 0.846 466 R HN 0.314 nan 8.270 nan 0.000 0.431 467 K N -0.072 120.439 120.400 0.186 0.000 2.032 467 K HA -0.255 4.065 4.320 0.000 0.000 0.218 467 K C 1.971 178.693 176.600 0.204 0.000 1.054 467 K CA 2.088 58.520 56.287 0.240 0.000 0.941 467 K CB -0.575 32.142 32.500 0.361 0.000 0.720 467 K HN 0.126 nan 8.250 nan 0.000 0.449 468 F N 2.138 122.193 119.950 0.174 0.000 2.087 468 F HA -0.249 4.278 4.527 0.000 0.000 0.299 468 F C 1.922 177.523 175.800 -0.331 0.000 1.100 468 F CA 1.497 59.344 58.000 -0.255 0.000 1.226 468 F CB -0.369 38.581 39.000 -0.083 0.000 0.983 468 F HN -0.057 nan 8.300 nan 0.000 0.479 469 L N -0.654 120.458 121.223 -0.185 0.000 2.012 469 L HA -0.230 4.110 4.340 0.000 0.000 0.210 469 L C 2.454 179.134 176.870 -0.317 0.000 1.073 469 L CA 0.931 55.624 54.840 -0.245 0.000 0.748 469 L CB -0.914 41.144 42.059 -0.003 0.000 0.891 469 L HN 0.293 nan 8.230 nan 0.000 0.431 470 L N -0.097 121.007 121.223 -0.198 0.000 1.933 470 L HA -0.293 4.047 4.340 0.000 0.000 0.220 470 L C 2.664 179.372 176.870 -0.271 0.000 1.078 470 L CA 1.959 56.693 54.840 -0.177 0.000 0.773 470 L CB -1.213 40.800 42.059 -0.077 0.000 0.890 470 L HN 0.346 nan 8.230 nan 0.000 0.434 471 Q N -0.180 119.439 119.800 -0.303 0.000 2.062 471 Q HA -0.257 4.083 4.340 0.000 0.000 0.209 471 Q C 1.921 177.593 176.000 -0.547 0.000 0.996 471 Q CA 2.680 58.259 55.803 -0.373 0.000 0.859 471 Q CB -0.557 27.939 28.738 -0.405 0.000 0.920 471 Q HN 0.636 nan 8.270 nan 0.000 0.415 472 A N -0.450 121.862 122.820 -0.847 0.000 2.178 472 A HA 0.154 4.474 4.320 0.000 0.000 0.218 472 A C 1.485 178.778 177.584 -0.485 0.000 1.157 472 A CA 1.939 53.495 52.037 -0.802 0.000 0.689 472 A CB -0.672 17.564 19.000 -1.273 0.000 0.787 472 A HN 0.795 nan 8.150 nan 0.000 0.465 473 G N -0.704 107.858 108.800 -0.396 0.000 3.298 473 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 473 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 473 G C 0.370 175.138 174.900 -0.219 0.000 1.681 473 G CA 0.012 44.963 45.100 -0.247 0.000 1.094 473 G HN 1.227 nan 8.290 nan 0.000 0.575 474 L N 0.000 121.115 121.223 -0.180 0.000 2.949 474 L HA 0.000 4.340 4.340 0.000 0.000 0.249 474 L CA 0.000 54.764 54.840 -0.127 0.000 0.813 474 L CB 0.000 42.011 42.059 -0.081 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502