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_J 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 0.000 177.619 177.584 0.058 0.000 1.274 20 A CA 0.000 52.048 52.037 0.019 0.000 0.836 20 A CB 0.000 19.001 19.000 0.002 0.000 0.831 21 V N 1.646 121.535 119.914 -0.041 0.000 2.637 21 V HA 0.468 4.588 4.120 0.000 0.000 0.296 21 V C 0.102 176.115 176.094 -0.136 0.000 1.046 21 V CA 0.114 62.375 62.300 -0.065 0.000 1.066 21 V CB 1.192 32.758 31.823 -0.428 0.000 0.968 21 V HN 0.815 nan 8.190 nan 0.000 0.483 22 V N 3.289 123.248 119.914 0.076 0.000 2.841 22 V HA 0.375 4.495 4.120 0.000 0.000 0.310 22 V C 0.136 176.450 176.094 0.367 0.000 1.090 22 V CA -0.755 61.617 62.300 0.121 0.000 0.930 22 V CB 2.107 33.940 31.823 0.017 0.000 1.014 22 V HN 0.868 nan 8.190 nan 0.000 0.425 23 S N 1.809 117.757 115.700 0.413 0.000 2.561 23 S HA -0.041 4.429 4.470 0.000 0.000 0.294 23 S C 1.666 176.383 174.600 0.195 0.000 1.294 23 S CA 0.583 58.992 58.200 0.350 0.000 1.055 23 S CB 0.689 64.024 63.200 0.226 0.000 0.819 23 S HN 1.251 nan 8.310 nan 0.000 0.503 24 T N 1.346 115.953 114.554 0.089 0.000 2.929 24 T HA -0.102 4.248 4.350 0.000 0.000 0.271 24 T C 0.874 175.409 174.700 -0.275 0.000 1.085 24 T CA 1.269 63.164 62.100 -0.342 0.000 1.125 24 T CB -0.445 68.347 68.868 -0.128 0.000 0.874 24 T HN 0.689 nan 8.240 nan 0.000 0.494 25 D N 1.699 122.062 120.400 -0.062 0.000 2.417 25 D HA -0.075 4.565 4.640 0.000 0.000 0.225 25 D C 1.746 178.046 176.300 -0.000 0.000 0.983 25 D CA 0.641 54.626 54.000 -0.025 0.000 0.949 25 D CB -0.111 40.702 40.800 0.020 0.000 0.879 25 D HN 0.582 nan 8.370 nan 0.000 0.520 26 E N -0.654 119.553 120.200 0.012 0.000 2.447 26 E HA -0.000 4.350 4.350 0.000 0.000 0.204 26 E C 0.950 177.682 176.600 0.221 0.000 0.977 26 E CA 0.211 56.685 56.400 0.123 0.000 0.950 26 E CB 0.337 30.134 29.700 0.161 0.000 0.975 26 E HN 0.589 nan 8.360 nan 0.000 0.496 27 Y N -2.398 117.974 120.300 0.121 0.000 2.666 27 Y HA 0.453 5.003 4.550 0.000 0.000 0.260 27 Y C 0.079 176.081 175.900 0.171 0.000 1.089 27 Y CA -0.505 57.679 58.100 0.140 0.000 1.246 27 Y CB 0.333 38.892 38.460 0.165 0.000 1.353 27 Y HN -0.332 nan 8.280 nan 0.000 0.558 28 V N 2.139 122.054 119.914 0.001 0.000 2.409 28 V HA 0.424 4.544 4.120 0.000 0.000 0.291 28 V C -0.073 176.016 176.094 -0.010 0.000 1.020 28 V CA -0.494 61.808 62.300 0.004 0.000 0.848 28 V CB 1.607 33.375 31.823 -0.093 0.000 0.990 28 V HN 0.361 nan 8.190 nan 0.000 0.430 29 T N 5.316 119.872 114.554 0.003 0.000 2.922 29 T HA 0.514 4.864 4.350 0.000 0.000 0.285 29 T C -0.019 174.650 174.700 -0.051 0.000 1.005 29 T CA -0.669 61.423 62.100 -0.014 0.000 1.061 29 T CB 0.951 69.817 68.868 -0.003 0.000 1.007 29 T HN 0.421 nan 8.240 nan 0.000 0.502 30 R N 1.591 122.063 120.500 -0.046 0.000 2.532 30 R HA 0.647 4.987 4.340 0.000 0.000 0.295 30 R C 0.077 176.337 176.300 -0.066 0.000 0.968 30 R CA -0.538 55.526 56.100 -0.059 0.000 0.916 30 R CB 1.810 32.096 30.300 -0.023 0.000 1.124 30 R HN 0.914 nan 8.270 nan 0.000 0.463 31 T N -2.211 112.279 114.554 -0.106 0.000 2.901 31 T HA 0.279 4.629 4.350 0.000 0.000 0.293 31 T C 0.114 174.748 174.700 -0.111 0.000 1.084 31 T CA -0.836 61.210 62.100 -0.090 0.000 1.008 31 T CB 1.576 70.380 68.868 -0.108 0.000 1.170 31 T HN 0.531 nan 8.240 nan 0.000 0.509 32 N N 0.974 119.666 118.700 -0.014 0.000 2.802 32 N HA 0.235 4.975 4.740 0.000 0.000 0.288 32 N C -0.852 174.680 175.510 0.037 0.000 1.268 32 N CA -0.270 52.822 53.050 0.070 0.000 1.035 32 N CB -0.099 38.462 38.487 0.122 0.000 1.353 32 N HN 0.402 nan 8.380 nan 0.000 0.522 33 I N 1.743 122.191 120.570 -0.205 0.000 2.478 33 I HA 0.285 4.455 4.170 0.000 0.000 0.287 33 I C -0.921 175.038 176.117 -0.262 0.000 1.042 33 I CA -0.790 60.481 61.300 -0.049 0.000 1.067 33 I CB 0.648 38.672 38.000 0.040 0.000 1.233 33 I HN 0.020 nan 8.210 nan 0.000 0.431 34 Y N 5.534 125.927 120.300 0.155 0.000 2.391 34 Y HA 0.571 5.121 4.550 0.000 0.000 0.341 34 Y C -0.736 175.134 175.900 -0.050 0.000 0.965 34 Y CA -0.653 57.494 58.100 0.079 0.000 1.067 34 Y CB 2.145 40.551 38.460 -0.090 0.000 1.199 34 Y HN 0.356 nan 8.280 nan 0.000 0.450 35 Y N 1.897 122.263 120.300 0.109 0.000 2.485 35 Y HA 0.346 4.896 4.550 0.000 0.000 0.345 35 Y C 0.021 175.756 175.900 -0.276 0.000 0.998 35 Y CA -0.896 57.188 58.100 -0.027 0.000 1.059 35 Y CB 1.388 39.772 38.460 -0.126 0.000 1.234 35 Y HN 0.595 nan 8.280 nan 0.000 0.461 36 H N 1.771 120.668 119.070 -0.289 0.000 2.544 36 H HA 0.873 5.429 4.556 0.000 0.000 0.342 36 H C -1.576 173.355 175.328 -0.662 0.000 1.185 36 H CA -0.649 55.082 56.048 -0.529 0.000 1.264 36 H CB 1.727 31.067 29.762 -0.705 0.000 1.607 36 H HN 0.782 nan 8.280 nan 0.000 0.550 37 A N 1.574 124.016 122.820 -0.630 0.000 2.488 37 A HA 0.576 4.896 4.320 0.000 0.000 0.295 37 A C -0.833 176.731 177.584 -0.034 0.000 1.045 37 A CA -0.080 51.845 52.037 -0.186 0.000 0.703 37 A CB 1.399 20.300 19.000 -0.165 0.000 1.271 37 A HN 0.853 nan 8.150 nan 0.000 0.400 38 G N 1.153 110.046 108.800 0.156 0.000 2.666 38 G HA2 0.587 4.547 3.960 0.000 0.000 0.303 38 G HA3 0.587 4.547 3.960 0.000 0.000 0.303 38 G C -0.111 174.873 174.900 0.139 0.000 1.412 38 G CA 0.127 45.312 45.100 0.142 0.000 0.979 38 G HN 1.393 nan 8.290 nan 0.000 0.507 39 S N 1.163 116.920 115.700 0.096 0.000 2.592 39 S HA 0.601 5.071 4.470 0.000 0.000 0.271 39 S C 1.021 175.659 174.600 0.063 0.000 1.326 39 S CA -0.095 58.151 58.200 0.076 0.000 1.024 39 S CB 1.337 64.540 63.200 0.006 0.000 0.921 39 S HN 1.304 nan 8.310 nan 0.000 0.527 40 S N 1.483 117.234 115.700 0.084 0.000 2.641 40 S HA 0.279 4.749 4.470 0.000 0.000 0.261 40 S C 0.289 174.930 174.600 0.068 0.000 1.257 40 S CA -0.989 57.260 58.200 0.081 0.000 0.983 40 S CB 0.152 63.409 63.200 0.094 0.000 0.990 40 S HN 0.962 nan 8.310 nan 0.000 0.572 41 R N -0.110 120.432 120.500 0.069 0.000 2.590 41 R HA 0.294 4.634 4.340 0.000 0.000 0.274 41 R C -1.178 175.194 176.300 0.121 0.000 1.061 41 R CA -0.213 55.927 56.100 0.067 0.000 1.081 41 R CB -0.206 30.129 30.300 0.059 0.000 0.984 41 R HN 0.670 nan 8.270 nan 0.000 0.448 42 L N 5.946 127.251 121.223 0.138 0.000 2.305 42 L HA 0.452 4.792 4.340 0.000 0.000 0.284 42 L C -0.531 176.563 176.870 0.373 0.000 1.013 42 L CA -0.551 54.463 54.840 0.290 0.000 0.819 42 L CB 1.461 43.604 42.059 0.140 0.000 1.227 42 L HN 0.554 nan 8.230 nan 0.000 0.417 43 L N 2.796 124.269 121.223 0.416 0.000 2.279 43 L HA 1.028 5.368 4.340 0.000 0.000 0.262 43 L C -0.382 176.705 176.870 0.360 0.000 1.019 43 L CA -0.734 54.309 54.840 0.337 0.000 0.823 43 L CB 2.199 44.373 42.059 0.191 0.000 1.358 43 L HN 0.705 nan 8.230 nan 0.000 0.432 44 A N 0.781 123.748 122.820 0.245 0.000 2.547 44 A HA 0.702 5.022 4.320 0.000 0.000 0.300 44 A C -1.823 175.810 177.584 0.082 0.000 1.061 44 A CA -0.395 51.721 52.037 0.131 0.000 0.808 44 A CB 1.316 20.464 19.000 0.248 0.000 1.304 44 A HN 0.300 nan 8.150 nan 0.000 0.393 45 V N 1.305 121.241 119.914 0.036 0.000 2.841 45 V HA 0.964 5.084 4.120 0.000 0.000 0.310 45 V C 0.579 176.689 176.094 0.026 0.000 1.090 45 V CA 0.431 62.751 62.300 0.034 0.000 0.930 45 V CB 1.976 33.822 31.823 0.038 0.000 1.014 45 V HN 2.042 nan 8.190 nan 0.000 0.425 46 G N 1.600 110.423 108.800 0.038 0.000 2.500 46 G HA2 0.368 4.328 3.960 0.000 0.000 0.299 46 G HA3 0.368 4.328 3.960 0.000 0.000 0.299 46 G C -1.743 173.198 174.900 0.068 0.000 1.242 46 G CA -0.519 44.615 45.100 0.055 0.000 0.859 46 G HN 0.704 nan 8.290 nan 0.000 0.481 47 H N 1.297 120.343 119.070 -0.041 0.000 2.483 47 H HA 0.501 5.057 4.556 0.000 0.000 0.338 47 H C -1.627 173.608 175.328 -0.155 0.000 1.152 47 H CA -1.830 54.134 56.048 -0.140 0.000 1.264 47 H CB 2.697 32.353 29.762 -0.176 0.000 1.510 47 H HN 0.175 nan 8.280 nan 0.000 0.530 48 P HA 0.015 nan 4.420 nan 0.000 0.245 48 P C 0.333 177.784 177.300 0.252 0.000 1.203 48 P CA 0.931 64.013 63.100 -0.030 0.000 0.792 48 P CB 0.437 31.962 31.700 -0.291 0.000 0.997 49 Y N -0.906 119.452 120.300 0.096 0.000 2.701 49 Y HA 0.186 4.736 4.550 0.000 0.000 0.275 49 Y C 0.641 176.469 175.900 -0.120 0.000 1.133 49 Y CA -0.737 57.310 58.100 -0.088 0.000 1.241 49 Y CB 0.543 38.874 38.460 -0.215 0.000 1.389 49 Y HN -0.160 nan 8.280 nan 0.000 0.486 50 Y N -1.404 118.922 120.300 0.044 0.000 2.592 50 Y HA 0.784 5.334 4.550 0.000 0.000 0.334 50 Y C -0.770 175.042 175.900 -0.146 0.000 1.136 50 Y CA -2.792 55.264 58.100 -0.073 0.000 1.042 50 Y CB 0.274 38.664 38.460 -0.117 0.000 1.325 50 Y HN -0.070 nan 8.280 nan 0.000 0.457 51 A N 2.575 125.497 122.820 0.170 0.000 2.477 51 A HA 0.575 4.896 4.320 0.000 0.000 0.246 51 A C -0.577 177.088 177.584 0.135 0.000 1.078 51 A CA -0.246 51.857 52.037 0.110 0.000 0.770 51 A CB -0.400 18.641 19.000 0.069 0.000 1.011 51 A HN 0.643 nan 8.150 nan 0.000 0.494 52 I N 2.960 123.599 120.570 0.116 0.000 2.328 52 I HA 0.262 4.432 4.170 0.000 0.000 0.287 52 I C 0.402 176.558 176.117 0.065 0.000 1.012 52 I CA -0.250 61.115 61.300 0.108 0.000 1.195 52 I CB 1.175 39.265 38.000 0.150 0.000 1.350 52 I HN 0.731 nan 8.210 nan 0.000 0.464 53 K N 4.586 125.009 120.400 0.037 0.000 2.156 53 K HA 0.576 4.896 4.320 0.000 0.000 0.250 53 K C -0.335 176.276 176.600 0.019 0.000 0.955 53 K CA -1.268 55.031 56.287 0.020 0.000 0.855 53 K CB 1.372 33.876 32.500 0.006 0.000 1.101 53 K HN 0.148 nan 8.250 nan 0.000 0.434 54 K N 1.206 121.614 120.400 0.014 0.000 2.604 54 K HA -0.203 4.118 4.320 0.000 0.000 0.278 54 K C 0.890 177.495 176.600 0.007 0.000 0.975 54 K CA 0.743 57.037 56.287 0.011 0.000 1.066 54 K CB 0.441 32.944 32.500 0.005 0.000 0.840 54 K HN 0.726 nan 8.250 nan 0.000 0.491 55 Q N 1.827 121.632 119.800 0.009 0.000 2.197 55 Q HA -0.180 4.160 4.340 0.000 0.000 0.207 55 Q C 0.366 176.363 176.000 -0.005 0.000 0.984 55 Q CA 2.304 58.109 55.803 0.003 0.000 0.869 55 Q CB 0.173 28.915 28.738 0.008 0.000 0.906 55 Q HN 0.761 nan 8.270 nan 0.000 0.426 56 D N -1.881 118.516 120.400 -0.004 0.000 2.856 56 D HA 0.061 4.701 4.640 0.000 0.000 0.283 56 D C 0.468 176.763 176.300 -0.008 0.000 1.051 56 D CA 0.277 54.273 54.000 -0.007 0.000 0.965 56 D CB -0.359 40.438 40.800 -0.006 0.000 1.201 56 D HN 0.087 nan 8.370 nan 0.000 0.474 57 S N 1.187 116.883 115.700 -0.006 0.000 2.606 57 S HA 0.028 4.499 4.470 0.000 0.000 0.257 57 S C 0.835 175.430 174.600 -0.009 0.000 1.327 57 S CA -0.286 57.910 58.200 -0.007 0.000 0.984 57 S CB 0.376 63.573 63.200 -0.006 0.000 0.941 57 S HN 0.264 nan 8.310 nan 0.000 0.576 58 N N 1.067 119.761 118.700 -0.010 0.000 2.235 58 N HA 0.092 4.832 4.740 0.000 0.000 0.231 58 N C -0.447 175.057 175.510 -0.009 0.000 1.177 58 N CA -0.388 52.655 53.050 -0.011 0.000 0.874 58 N CB 0.147 38.626 38.487 -0.013 0.000 1.097 58 N HN 0.418 nan 8.380 nan 0.000 0.518 59 K N 1.609 122.004 120.400 -0.008 0.000 2.276 59 K HA 0.169 4.489 4.320 0.000 0.000 0.283 59 K C 0.086 176.684 176.600 -0.003 0.000 1.044 59 K CA -0.588 55.694 56.287 -0.008 0.000 0.944 59 K CB 0.852 33.347 32.500 -0.009 0.000 1.012 59 K HN -0.034 nan 8.250 nan 0.000 0.472 60 I N 4.532 125.100 120.570 -0.004 0.000 2.752 60 I HA -0.103 4.067 4.170 0.000 0.000 0.286 60 I C 1.227 177.346 176.117 0.004 0.000 1.180 60 I CA 0.506 61.807 61.300 0.002 0.000 1.404 60 I CB -0.455 37.543 38.000 -0.003 0.000 1.389 60 I HN 0.768 nan 8.210 nan 0.000 0.549 61 A N 7.720 130.549 122.820 0.015 0.000 1.859 61 A HA 0.187 4.507 4.320 0.000 0.000 0.212 61 A C 0.816 178.412 177.584 0.020 0.000 1.238 61 A CA 0.619 52.666 52.037 0.017 0.000 0.613 61 A CB -0.071 18.945 19.000 0.027 0.000 0.904 61 A HN 0.470 nan 8.150 nan 0.000 0.457 62 V N 1.535 121.472 119.914 0.038 0.000 2.459 62 V HA 0.384 4.504 4.120 0.000 0.000 0.295 62 V C -2.361 173.762 176.094 0.047 0.000 1.029 62 V CA -1.997 60.329 62.300 0.044 0.000 0.874 62 V CB 1.440 33.307 31.823 0.075 0.000 0.985 62 V HN 0.378 nan 8.190 nan 0.000 0.438 63 P HA 0.199 nan 4.420 nan 0.000 0.286 63 P C -1.010 176.320 177.300 0.050 0.000 1.293 63 P CA -0.610 62.503 63.100 0.022 0.000 0.770 63 P CB 1.167 32.858 31.700 -0.015 0.000 1.206 64 K N 0.457 120.886 120.400 0.048 0.000 2.404 64 K HA 0.399 4.720 4.320 0.000 0.000 0.257 64 K C -1.518 175.125 176.600 0.071 0.000 1.026 64 K CA -0.575 55.757 56.287 0.075 0.000 0.951 64 K CB 0.317 32.868 32.500 0.084 0.000 1.203 64 K HN 0.134 nan 8.250 nan 0.000 0.446 65 V N 2.999 122.954 119.914 0.069 0.000 2.349 65 V HA 0.287 4.407 4.120 0.000 0.000 0.284 65 V C -0.448 175.671 176.094 0.041 0.000 1.014 65 V CA -0.666 61.653 62.300 0.032 0.000 0.826 65 V CB 1.155 32.969 31.823 -0.015 0.000 1.009 65 V HN 0.734 nan 8.190 nan 0.000 0.431 66 S N 3.014 118.771 115.700 0.094 0.000 2.568 66 S HA 0.673 5.143 4.470 0.000 0.000 0.293 66 S C 1.202 175.937 174.600 0.225 0.000 1.089 66 S CA 0.212 58.558 58.200 0.243 0.000 0.945 66 S CB 2.003 65.350 63.200 0.245 0.000 1.077 66 S HN 0.853 nan 8.310 nan 0.000 0.485 67 G N 1.729 110.779 108.800 0.418 0.000 2.484 67 G HA2 0.025 3.985 3.960 0.000 0.000 0.218 67 G HA3 0.025 3.985 3.960 0.000 0.000 0.218 67 G C 0.680 175.713 174.900 0.222 0.000 1.130 67 G CA 0.350 45.657 45.100 0.345 0.000 0.784 67 G HN 0.615 nan 8.290 nan 0.000 0.543 68 L N 0.775 122.134 121.223 0.228 0.000 2.801 68 L HA 0.238 4.578 4.340 0.000 0.000 0.250 68 L C 1.003 177.954 176.870 0.135 0.000 1.222 68 L CA 0.261 55.215 54.840 0.191 0.000 1.054 68 L CB -0.288 41.949 42.059 0.297 0.000 1.330 68 L HN 0.228 nan 8.230 nan 0.000 0.426 69 Q N -1.875 117.998 119.800 0.123 0.000 2.418 69 Q HA 0.442 4.782 4.340 0.000 0.000 0.276 69 Q C -1.225 174.824 176.000 0.082 0.000 1.081 69 Q CA -0.890 54.995 55.803 0.136 0.000 0.864 69 Q CB 1.726 30.561 28.738 0.160 0.000 1.384 69 Q HN 0.008 nan 8.270 nan 0.000 0.467 70 Y N 0.114 120.448 120.300 0.058 0.000 2.376 70 Y HA 0.355 4.905 4.550 0.000 0.000 0.325 70 Y C -0.058 175.819 175.900 -0.037 0.000 1.199 70 Y CA -0.497 57.621 58.100 0.030 0.000 1.206 70 Y CB 1.166 39.634 38.460 0.014 0.000 1.229 70 Y HN 0.180 nan 8.280 nan 0.000 0.480 71 R N 2.429 122.964 120.500 0.058 0.000 2.320 71 R HA 0.371 4.711 4.340 0.000 0.000 0.319 71 R C -1.693 174.411 176.300 -0.327 0.000 0.969 71 R CA -0.733 55.201 56.100 -0.277 0.000 0.857 71 R CB 0.759 30.669 30.300 -0.650 0.000 1.160 71 R HN 0.421 nan 8.270 nan 0.000 0.491 72 V N 4.565 124.358 119.914 -0.201 0.000 2.348 72 V HA 0.393 4.513 4.120 0.000 0.000 0.270 72 V C 0.049 175.983 176.094 -0.267 0.000 1.037 72 V CA -0.567 61.662 62.300 -0.118 0.000 0.872 72 V CB 0.202 32.093 31.823 0.113 0.000 1.002 72 V HN 0.393 nan 8.190 nan 0.000 0.464 73 F N 3.980 123.902 119.950 -0.047 0.000 2.371 73 F HA 0.503 5.030 4.527 0.000 0.000 0.363 73 F C 0.772 176.372 175.800 -0.334 0.000 1.122 73 F CA -0.470 57.456 58.000 -0.123 0.000 1.129 73 F CB 1.025 39.923 39.000 -0.171 0.000 1.173 73 F HN 0.387 nan 8.300 nan 0.000 0.489 74 R N 3.392 123.722 120.500 -0.284 0.000 2.202 74 R HA 0.523 4.864 4.340 0.000 0.000 0.334 74 R C -1.486 174.617 176.300 -0.328 0.000 1.036 74 R CA -0.317 55.318 56.100 -0.775 0.000 0.878 74 R CB 0.865 30.793 30.300 -0.620 0.000 1.067 74 R HN 0.517 nan 8.270 nan 0.000 0.457 75 V N 6.307 125.996 119.914 -0.375 0.000 2.293 75 V HA 0.202 4.322 4.120 0.000 0.000 0.275 75 V C -0.031 175.924 176.094 -0.232 0.000 1.021 75 V CA -0.805 61.356 62.300 -0.231 0.000 0.815 75 V CB 1.157 32.805 31.823 -0.291 0.000 1.025 75 V HN 0.638 nan 8.190 nan 0.000 0.448 76 K N 4.987 125.293 120.400 -0.157 0.000 2.368 76 K HA 0.520 4.840 4.320 0.000 0.000 0.282 76 K C -0.682 175.793 176.600 -0.209 0.000 1.035 76 K CA 0.060 56.258 56.287 -0.149 0.000 0.973 76 K CB 1.088 33.535 32.500 -0.088 0.000 0.957 76 K HN 0.525 nan 8.250 nan 0.000 0.474 77 L N 5.295 126.363 121.223 -0.259 0.000 2.381 77 L HA 0.427 4.767 4.340 0.000 0.000 0.268 77 L C -2.086 174.528 176.870 -0.428 0.000 0.997 77 L CA -2.186 52.387 54.840 -0.445 0.000 0.818 77 L CB 2.450 44.194 42.059 -0.524 0.000 1.310 77 L HN 0.428 nan 8.230 nan 0.000 0.416 78 P HA -0.055 nan 4.420 nan 0.000 0.268 78 P C -0.991 176.091 177.300 -0.363 0.000 1.205 78 P CA -0.188 62.591 63.100 -0.536 0.000 0.771 78 P CB 1.019 32.183 31.700 -0.894 0.000 0.858 79 D N 4.947 125.237 120.400 -0.183 0.000 2.363 79 D HA 0.006 4.646 4.640 0.000 0.000 0.263 79 D C -0.971 175.287 176.300 -0.071 0.000 1.258 79 D CA -1.616 52.342 54.000 -0.069 0.000 0.907 79 D CB 0.640 41.453 40.800 0.021 0.000 1.107 79 D HN 0.263 nan 8.370 nan 0.000 0.495 80 P HA -0.109 nan 4.420 nan 0.000 0.240 80 P C 0.357 177.755 177.300 0.163 0.000 1.186 80 P CA 0.526 63.609 63.100 -0.027 0.000 0.755 80 P CB 0.451 31.797 31.700 -0.590 0.000 0.870 81 N N -0.098 118.668 118.700 0.110 0.000 2.348 81 N HA 0.045 4.785 4.740 0.000 0.000 0.183 81 N C 1.483 177.080 175.510 0.146 0.000 1.094 81 N CA 0.380 53.499 53.050 0.115 0.000 0.885 81 N CB 0.327 38.856 38.487 0.071 0.000 1.065 81 N HN 0.315 nan 8.380 nan 0.000 0.472 82 K N 0.182 120.675 120.400 0.155 0.000 2.044 82 K HA 0.058 4.378 4.320 0.000 0.000 0.204 82 K C 0.388 177.083 176.600 0.159 0.000 1.045 82 K CA 0.056 56.426 56.287 0.138 0.000 0.951 82 K CB -0.283 32.290 32.500 0.121 0.000 0.738 82 K HN -0.142 nan 8.250 nan 0.000 0.443 83 F N 1.817 121.726 119.950 -0.069 0.000 2.422 83 F HA -0.098 4.429 4.527 0.000 0.000 0.364 83 F C 1.190 176.805 175.800 -0.309 0.000 0.954 83 F CA 0.714 58.577 58.000 -0.228 0.000 1.192 83 F CB 0.023 38.924 39.000 -0.166 0.000 0.895 83 F HN 0.132 nan 8.300 nan 0.000 0.589 84 G N 3.598 112.080 108.800 -0.531 0.000 2.461 84 G HA2 0.607 4.567 3.960 0.000 0.000 0.323 84 G HA3 0.607 4.567 3.960 0.000 0.000 0.323 84 G C -1.841 172.602 174.900 -0.762 0.000 1.229 84 G CA -0.586 44.279 45.100 -0.393 0.000 0.941 84 G HN 0.353 nan 8.290 nan 0.000 0.477 85 F N 1.767 121.709 119.950 -0.014 0.000 2.508 85 F HA 0.458 4.985 4.527 0.000 0.000 0.325 85 F C -1.093 174.692 175.800 -0.025 0.000 1.090 85 F CA -2.020 55.979 58.000 -0.002 0.000 0.945 85 F CB 2.849 41.850 39.000 0.002 0.000 1.156 85 F HN 0.317 nan 8.300 nan 0.000 0.463 86 P HA -0.102 nan 4.420 nan 0.000 0.217 86 P C 0.704 178.007 177.300 0.006 0.000 1.154 86 P CA 1.303 64.439 63.100 0.060 0.000 0.841 86 P CB 0.229 31.966 31.700 0.061 0.000 0.790 87 D N 0.072 120.506 120.400 0.056 0.000 2.349 87 D HA -0.048 4.592 4.640 0.000 0.000 0.224 87 D C 0.677 176.815 176.300 -0.270 0.000 1.029 87 D CA 0.516 54.483 54.000 -0.056 0.000 0.879 87 D CB -0.412 40.452 40.800 0.106 0.000 0.906 87 D HN 0.094 nan 8.370 nan 0.000 0.528 88 T N -2.222 112.251 114.554 -0.134 0.000 3.393 88 T HA 0.049 4.399 4.350 0.000 0.000 0.248 88 T C 1.509 176.136 174.700 -0.122 0.000 0.992 88 T CA 0.162 62.183 62.100 -0.132 0.000 0.929 88 T CB -0.058 68.778 68.868 -0.053 0.000 1.065 88 T HN 0.036 nan 8.240 nan 0.000 0.597 89 S N 0.996 116.429 115.700 -0.445 0.000 2.458 89 S HA 0.079 4.549 4.470 0.000 0.000 0.223 89 S C 0.949 175.425 174.600 -0.207 0.000 1.019 89 S CA -0.528 57.497 58.200 -0.291 0.000 0.937 89 S CB -0.763 62.275 63.200 -0.271 0.000 0.788 89 S HN 0.647 nan 8.310 nan 0.000 0.511 90 F N 1.063 121.079 119.950 0.111 0.000 2.898 90 F HA 0.648 5.175 4.527 0.000 0.000 0.290 90 F C -0.179 175.706 175.800 0.142 0.000 1.195 90 F CA -2.621 55.435 58.000 0.094 0.000 1.387 90 F CB -1.325 37.712 39.000 0.063 0.000 0.976 90 F HN 0.229 nan 8.300 nan 0.000 0.510 91 Y N 0.604 120.982 120.300 0.130 0.000 2.534 91 Y HA 0.590 5.141 4.550 0.000 0.000 0.345 91 Y C -1.975 173.940 175.900 0.025 0.000 1.031 91 Y CA -2.042 56.105 58.100 0.079 0.000 1.022 91 Y CB 1.904 40.393 38.460 0.048 0.000 1.292 91 Y HN 0.057 nan 8.280 nan 0.000 0.459 92 D N 7.307 127.247 120.400 -0.765 0.000 2.420 92 D HA 0.400 5.040 4.640 0.000 0.000 0.255 92 D C -2.249 173.555 176.300 -0.827 0.000 1.185 92 D CA -2.612 51.040 54.000 -0.580 0.000 0.904 92 D CB 2.005 42.660 40.800 -0.241 0.000 1.102 92 D HN 0.330 nan 8.370 nan 0.000 0.534 93 P HA -0.144 nan 4.420 nan 0.000 0.219 93 P C 1.225 178.359 177.300 -0.276 0.000 1.146 93 P CA 0.816 63.604 63.100 -0.520 0.000 0.808 93 P CB 0.236 31.810 31.700 -0.210 0.000 0.779 94 A N 0.978 123.661 122.820 -0.228 0.000 1.917 94 A HA -0.195 4.126 4.320 0.000 0.000 0.219 94 A C 2.350 179.869 177.584 -0.108 0.000 1.182 94 A CA 2.879 54.837 52.037 -0.131 0.000 0.633 94 A CB -1.260 17.684 19.000 -0.092 0.000 0.819 94 A HN 0.439 nan 8.150 nan 0.000 0.448 95 S N -1.888 113.730 115.700 -0.137 0.000 2.524 95 S HA 0.201 4.671 4.470 0.000 0.000 0.222 95 S C 0.713 175.254 174.600 -0.097 0.000 1.040 95 S CA -0.292 57.855 58.200 -0.089 0.000 0.915 95 S CB -0.057 63.105 63.200 -0.063 0.000 0.831 95 S HN 0.656 nan 8.310 nan 0.000 0.492 96 Q N 0.521 120.226 119.800 -0.159 0.000 2.180 96 Q HA 0.702 5.042 4.340 0.000 0.000 0.241 96 Q C -0.597 175.325 176.000 -0.129 0.000 0.970 96 Q CA -1.064 54.688 55.803 -0.085 0.000 0.919 96 Q CB 0.885 29.658 28.738 0.058 0.000 1.222 96 Q HN 0.045 nan 8.270 nan 0.000 0.482 97 R N -0.101 120.284 120.500 -0.191 0.000 2.810 97 R HA 0.602 4.942 4.340 0.000 0.000 0.266 97 R C -1.327 174.762 176.300 -0.352 0.000 1.061 97 R CA -0.838 54.986 56.100 -0.460 0.000 0.943 97 R CB 0.987 30.451 30.300 -1.393 0.000 1.237 97 R HN 0.569 nan 8.270 nan 0.000 0.459 98 L N 1.243 122.227 121.223 -0.398 0.000 2.381 98 L HA 0.673 5.013 4.340 0.000 0.000 0.274 98 L C -0.660 176.069 176.870 -0.234 0.000 0.988 98 L CA -1.006 53.630 54.840 -0.341 0.000 0.824 98 L CB 2.143 43.974 42.059 -0.380 0.000 1.263 98 L HN 0.202 nan 8.230 nan 0.000 0.410 99 V N 0.015 119.749 119.914 -0.300 0.000 3.040 99 V HA 0.469 4.589 4.120 0.000 0.000 0.312 99 V C -1.083 174.724 176.094 -0.478 0.000 1.115 99 V CA -0.925 61.220 62.300 -0.259 0.000 0.998 99 V CB 2.275 33.976 31.823 -0.203 0.000 1.042 99 V HN 0.621 nan 8.190 nan 0.000 0.433 100 W N 0.835 122.008 121.300 -0.211 0.000 2.438 100 W HA 0.713 5.373 4.660 0.000 0.000 0.324 100 W C 0.122 176.537 176.519 -0.173 0.000 1.119 100 W CA -0.386 56.830 57.345 -0.216 0.000 1.221 100 W CB 1.563 30.782 29.460 -0.401 0.000 1.253 100 W HN 0.712 nan 8.180 nan 0.000 0.555 101 A N 3.204 126.121 122.820 0.161 0.000 2.328 101 A HA 0.398 4.719 4.320 0.000 0.000 0.318 101 A C -0.541 177.167 177.584 0.206 0.000 1.347 101 A CA -0.704 51.367 52.037 0.056 0.000 0.842 101 A CB 0.043 19.011 19.000 -0.052 0.000 1.148 101 A HN 0.793 nan 8.150 nan 0.000 0.499 102 C N 2.928 122.363 119.300 0.225 0.000 2.465 102 C HA 0.264 4.724 4.460 0.000 0.000 0.402 102 C C 1.526 176.535 174.990 0.031 0.000 1.448 102 C CA 1.308 60.460 59.018 0.223 0.000 1.589 102 C CB -0.936 26.902 27.740 0.164 0.000 2.535 102 C HN 0.864 nan 8.230 nan 0.000 0.600 103 T N 4.127 118.660 114.554 -0.035 0.000 3.114 103 T HA 0.341 4.691 4.350 0.000 0.000 0.240 103 T C 0.726 175.505 174.700 0.132 0.000 0.983 103 T CA 0.776 62.913 62.100 0.061 0.000 1.151 103 T CB 0.050 68.951 68.868 0.056 0.000 0.974 103 T HN 0.938 nan 8.240 nan 0.000 0.442 104 G N 0.439 109.235 108.800 -0.007 0.000 2.533 104 G HA2 0.625 4.585 3.960 0.000 0.000 0.304 104 G HA3 0.625 4.585 3.960 0.000 0.000 0.304 104 G C -1.861 172.786 174.900 -0.421 0.000 1.263 104 G CA -0.390 44.646 45.100 -0.107 0.000 0.964 104 G HN 0.199 nan 8.290 nan 0.000 0.479 105 V N 0.643 120.204 119.914 -0.588 0.000 2.733 105 V HA 0.549 4.669 4.120 0.000 0.000 0.306 105 V C -1.160 174.492 176.094 -0.737 0.000 1.084 105 V CA -0.768 61.190 62.300 -0.569 0.000 0.905 105 V CB 2.101 33.803 31.823 -0.201 0.000 1.010 105 V HN 0.737 nan 8.190 nan 0.000 0.424 106 E N 2.988 122.703 120.200 -0.809 0.000 2.241 106 E HA 0.474 4.824 4.350 0.000 0.000 0.263 106 E C -1.580 174.683 176.600 -0.561 0.000 0.882 106 E CA -0.333 55.647 56.400 -0.701 0.000 0.769 106 E CB 2.303 31.638 29.700 -0.609 0.000 1.185 106 E HN 0.397 nan 8.360 nan 0.000 0.415 107 V N 3.737 123.414 119.914 -0.395 0.000 2.204 107 V HA 0.296 4.416 4.120 0.000 0.000 0.264 107 V C 0.707 176.650 176.094 -0.251 0.000 1.106 107 V CA -0.570 61.567 62.300 -0.271 0.000 0.947 107 V CB 0.972 32.755 31.823 -0.066 0.000 1.164 107 V HN 0.665 nan 8.190 nan 0.000 0.461 108 G N 3.879 112.526 108.800 -0.255 0.000 2.432 108 G HA2 0.350 4.310 3.960 0.000 0.000 0.239 108 G HA3 0.350 4.310 3.960 0.000 0.000 0.239 108 G C -0.115 174.638 174.900 -0.246 0.000 1.291 108 G CA -0.234 44.745 45.100 -0.202 0.000 0.863 108 G HN 0.420 nan 8.290 nan 0.000 0.560 109 R N 0.595 120.965 120.500 -0.217 0.000 2.628 109 R HA 0.607 4.947 4.340 0.000 0.000 0.288 109 R C 0.255 176.444 176.300 -0.185 0.000 0.980 109 R CA -0.543 55.364 56.100 -0.322 0.000 0.891 109 R CB 1.952 32.064 30.300 -0.313 0.000 1.188 109 R HN 0.695 nan 8.270 nan 0.000 0.450 110 G N 0.585 109.276 108.800 -0.183 0.000 2.644 110 G HA2 0.615 4.575 3.960 0.000 0.000 0.307 110 G HA3 0.615 4.575 3.960 0.000 0.000 0.307 110 G C -1.126 173.735 174.900 -0.065 0.000 1.250 110 G CA -0.208 44.839 45.100 -0.088 0.000 0.996 110 G HN 0.350 nan 8.290 nan 0.000 0.489 111 Q N -1.451 118.335 119.800 -0.023 0.000 2.782 111 Q HA -0.110 4.230 4.340 0.000 0.000 0.031 111 Q C -2.765 173.238 176.000 0.006 0.000 1.573 111 Q CA -0.207 55.599 55.803 0.005 0.000 0.238 111 Q CB -1.311 27.444 28.738 0.029 0.000 2.981 111 Q HN 0.674 nan 8.270 nan 0.000 0.314 112 P HA 0.353 nan 4.420 nan 0.000 0.277 112 P C -0.244 177.068 177.300 0.020 0.000 1.240 112 P CA -0.625 62.483 63.100 0.013 0.000 0.798 112 P CB 0.575 32.281 31.700 0.010 0.000 0.979 113 L N 1.218 122.454 121.223 0.022 0.000 2.476 113 L HA 0.573 4.913 4.340 0.000 0.000 0.264 113 L C 1.321 178.206 176.870 0.024 0.000 1.224 113 L CA 1.346 56.205 54.840 0.031 0.000 0.821 113 L CB -0.432 41.646 42.059 0.032 0.000 1.101 113 L HN 0.887 nan 8.230 nan 0.000 0.488 114 G N 0.020 108.836 108.800 0.026 0.000 2.321 114 G HA2 0.514 4.474 3.960 0.000 0.000 0.298 114 G HA3 0.514 4.474 3.960 0.000 0.000 0.298 114 G C -1.806 173.102 174.900 0.014 0.000 1.385 114 G CA -0.080 45.027 45.100 0.012 0.000 0.856 114 G HN 0.997 nan 8.290 nan 0.000 0.584 115 V N -1.666 118.247 119.914 -0.001 0.000 2.971 115 V HA 1.015 5.135 4.120 0.000 0.000 0.309 115 V C 0.620 176.698 176.094 -0.027 0.000 1.130 115 V CA 0.352 62.654 62.300 0.004 0.000 0.964 115 V CB 1.512 33.351 31.823 0.027 0.000 1.029 115 V HN 2.085 nan 8.190 nan 0.000 0.427 116 G N 1.712 110.495 108.800 -0.028 0.000 2.508 116 G HA2 0.732 4.693 3.960 0.000 0.000 0.278 116 G HA3 0.732 4.693 3.960 0.000 0.000 0.278 116 G C -0.601 174.268 174.900 -0.051 0.000 1.389 116 G CA -0.175 44.893 45.100 -0.053 0.000 1.050 116 G HN 1.770 nan 8.290 nan 0.000 0.522 117 I N -0.836 119.700 120.570 -0.058 0.000 2.724 117 I HA 0.351 4.521 4.170 0.000 0.000 0.284 117 I C -1.055 175.005 176.117 -0.095 0.000 1.388 117 I CA -0.498 60.748 61.300 -0.092 0.000 1.081 117 I CB 1.323 39.300 38.000 -0.038 0.000 1.368 117 I HN 0.471 nan 8.210 nan 0.000 0.429 118 S N 4.998 120.482 115.700 -0.360 0.000 2.537 118 S HA 0.999 5.469 4.470 0.000 0.000 0.301 118 S C -0.025 174.373 174.600 -0.337 0.000 1.092 118 S CA -0.467 57.429 58.200 -0.506 0.000 1.048 118 S CB 1.899 64.700 63.200 -0.664 0.000 1.053 118 S HN 0.953 nan 8.310 nan 0.000 0.501 119 G N 0.246 108.829 108.800 -0.361 0.000 2.721 119 G HA2 0.623 4.583 3.960 0.000 0.000 0.296 119 G HA3 0.623 4.583 3.960 0.000 0.000 0.296 119 G C -1.998 172.831 174.900 -0.117 0.000 1.383 119 G CA -0.512 44.493 45.100 -0.157 0.000 0.788 119 G HN 0.725 nan 8.290 nan 0.000 0.500 120 H N 0.192 119.185 119.070 -0.127 0.000 3.235 120 H HA 0.299 4.855 4.556 0.000 0.000 0.324 120 H C -2.351 172.941 175.328 -0.059 0.000 1.059 120 H CA -1.069 54.920 56.048 -0.099 0.000 1.497 120 H CB 2.769 32.464 29.762 -0.112 0.000 1.986 120 H HN 0.154 nan 8.280 nan 0.000 0.444 121 P HA -0.109 nan 4.420 nan 0.000 0.216 121 P C 0.869 178.255 177.300 0.143 0.000 1.154 121 P CA 1.289 64.399 63.100 0.018 0.000 0.865 121 P CB 0.358 32.017 31.700 -0.069 0.000 0.789 122 L N -1.586 119.869 121.223 0.387 0.000 3.073 122 L HA 0.205 4.545 4.340 0.000 0.000 0.242 122 L C 0.308 177.220 176.870 0.072 0.000 1.317 122 L CA -1.067 53.939 54.840 0.275 0.000 1.081 122 L CB -0.329 41.859 42.059 0.216 0.000 1.456 122 L HN -0.038 nan 8.230 nan 0.000 0.525 123 L N 1.376 122.627 121.223 0.047 0.000 2.593 123 L HA -0.084 4.256 4.340 0.000 0.000 0.287 123 L C 0.746 177.503 176.870 -0.187 0.000 1.243 123 L CA 0.627 55.340 54.840 -0.211 0.000 0.890 123 L CB 0.132 42.129 42.059 -0.103 0.000 1.134 123 L HN 0.223 nan 8.230 nan 0.000 0.502 124 N N 4.887 123.438 118.700 -0.249 0.000 2.421 124 N HA 0.151 4.891 4.740 0.000 0.000 0.260 124 N C -1.099 174.357 175.510 -0.089 0.000 1.173 124 N CA 0.072 53.022 53.050 -0.168 0.000 0.960 124 N CB -0.049 38.317 38.487 -0.202 0.000 1.273 124 N HN 0.441 nan 8.380 nan 0.000 0.497 125 K N 5.110 125.495 120.400 -0.024 0.000 2.687 125 K HA 0.100 4.420 4.320 0.000 0.000 0.249 125 K C -0.313 176.305 176.600 0.030 0.000 0.994 125 K CA -0.568 55.740 56.287 0.035 0.000 0.913 125 K CB 0.840 33.212 32.500 -0.213 0.000 1.202 125 K HN 0.341 nan 8.250 nan 0.000 0.460 126 L N 3.554 124.844 121.223 0.112 0.000 1.925 126 L HA 0.112 4.452 4.340 0.000 0.000 0.214 126 L C -0.262 176.669 176.870 0.102 0.000 1.091 126 L CA 2.019 56.914 54.840 0.092 0.000 0.768 126 L CB -0.153 41.966 42.059 0.100 0.000 0.887 126 L HN 0.834 nan 8.230 nan 0.000 0.433 127 D N -2.194 118.302 120.400 0.160 0.000 2.559 127 D HA 0.294 4.934 4.640 0.000 0.000 0.250 127 D C -1.524 174.950 176.300 0.290 0.000 1.135 127 D CA -0.532 53.578 54.000 0.183 0.000 0.955 127 D CB 0.505 41.386 40.800 0.135 0.000 1.442 127 D HN 0.150 nan 8.370 nan 0.000 0.471 128 D N -0.628 119.931 120.400 0.265 0.000 2.468 128 D HA 0.231 4.871 4.640 0.000 0.000 0.218 128 D C 0.388 176.758 176.300 0.117 0.000 1.155 128 D CA -0.472 53.679 54.000 0.252 0.000 0.924 128 D CB 0.398 41.345 40.800 0.246 0.000 1.029 128 D HN 0.361 nan 8.370 nan 0.000 0.515 129 T N 0.183 114.797 114.554 0.099 0.000 3.380 129 T HA 0.018 4.368 4.350 0.000 0.000 0.250 129 T C 1.179 175.861 174.700 -0.030 0.000 1.082 129 T CA -0.211 61.933 62.100 0.074 0.000 0.968 129 T CB 0.048 69.024 68.868 0.179 0.000 1.027 129 T HN 0.550 nan 8.240 nan 0.000 0.575 130 E N 1.595 121.752 120.200 -0.073 0.000 2.122 130 E HA -0.035 4.315 4.350 0.000 0.000 0.190 130 E C 0.840 177.398 176.600 -0.070 0.000 0.977 130 E CA 0.457 56.789 56.400 -0.114 0.000 0.820 130 E CB 0.217 29.821 29.700 -0.161 0.000 0.770 130 E HN 0.438 nan 8.360 nan 0.000 0.462 131 N N 0.279 118.959 118.700 -0.034 0.000 2.635 131 N HA 0.021 4.761 4.740 0.000 0.000 0.252 131 N C -1.607 173.911 175.510 0.014 0.000 1.589 131 N CA -0.038 53.002 53.050 -0.016 0.000 0.828 131 N CB 0.744 39.216 38.487 -0.025 0.000 1.403 131 N HN 0.057 nan 8.380 nan 0.000 0.518 132 S N 0.067 115.786 115.700 0.032 0.000 2.550 132 S HA 0.008 4.478 4.470 0.000 0.000 0.285 132 S C 1.326 175.956 174.600 0.051 0.000 1.326 132 S CA 0.414 58.648 58.200 0.057 0.000 1.037 132 S CB 0.342 63.590 63.200 0.081 0.000 0.838 132 S HN 0.545 nan 8.310 nan 0.000 0.519 133 N N 2.683 121.417 118.700 0.055 0.000 2.135 133 N HA 0.017 4.757 4.740 0.000 0.000 0.186 133 N C 0.592 176.133 175.510 0.053 0.000 1.027 133 N CA 0.678 53.755 53.050 0.046 0.000 0.849 133 N CB 0.014 38.525 38.487 0.041 0.000 1.002 133 N HN 0.496 nan 8.380 nan 0.000 0.425 134 K N -1.005 119.437 120.400 0.070 0.000 1.833 134 K HA 0.155 4.476 4.320 0.000 0.000 0.253 134 K C -1.692 175.004 176.600 0.161 0.000 0.656 134 K CA -0.544 55.801 56.287 0.097 0.000 0.463 134 K CB 0.404 32.946 32.500 0.071 0.000 1.873 134 K HN -0.051 nan 8.250 nan 0.000 0.599 135 Y N 1.752 122.066 120.300 0.025 0.000 2.317 135 Y HA 0.434 4.984 4.550 0.000 0.000 0.325 135 Y C -1.565 174.348 175.900 0.022 0.000 1.066 135 Y CA -0.803 57.311 58.100 0.024 0.000 1.203 135 Y CB 1.007 39.480 38.460 0.021 0.000 1.127 135 Y HN 0.160 nan 8.280 nan 0.000 0.451 136 V N 6.194 125.817 119.914 -0.486 0.000 2.427 136 V HA 0.598 4.718 4.120 0.000 0.000 0.286 136 V C 1.095 176.766 176.094 -0.706 0.000 1.034 136 V CA -0.228 61.787 62.300 -0.475 0.000 0.893 136 V CB 1.159 32.864 31.823 -0.197 0.000 0.982 136 V HN 1.016 nan 8.190 nan 0.000 0.452 137 G N 3.552 111.981 108.800 -0.618 0.000 2.945 137 G HA2 -0.099 3.861 3.960 0.000 0.000 0.248 137 G HA3 -0.099 3.861 3.960 0.000 0.000 0.248 137 G C 0.148 174.936 174.900 -0.187 0.000 1.250 137 G CA -0.348 44.502 45.100 -0.417 0.000 0.886 137 G HN 0.865 nan 8.290 nan 0.000 0.609 138 N N 0.348 119.022 118.700 -0.044 0.000 2.182 138 N HA 0.086 4.826 4.740 0.000 0.000 0.283 138 N C 1.066 176.568 175.510 -0.013 0.000 1.380 138 N CA 0.764 53.820 53.050 0.009 0.000 0.874 138 N CB 0.309 38.815 38.487 0.031 0.000 1.190 138 N HN 0.724 nan 8.380 nan 0.000 0.494 139 S N 1.200 116.896 115.700 -0.008 0.000 2.650 139 S HA 0.404 4.874 4.470 0.000 0.000 0.251 139 S C 1.071 175.667 174.600 -0.006 0.000 1.325 139 S CA -0.251 57.942 58.200 -0.011 0.000 0.967 139 S CB 0.466 63.666 63.200 -0.001 0.000 1.000 139 S HN 0.487 nan 8.310 nan 0.000 0.584 140 G N -0.841 107.956 108.800 -0.005 0.000 2.849 140 G HA2 0.537 4.497 3.960 0.000 0.000 0.174 140 G HA3 0.537 4.497 3.960 0.000 0.000 0.174 140 G C -0.741 174.158 174.900 -0.002 0.000 1.370 140 G CA -0.579 44.518 45.100 -0.003 0.000 1.040 140 G HN 0.763 nan 8.290 nan 0.000 0.582 141 T N 0.820 115.372 114.554 -0.003 0.000 2.867 141 T HA 0.454 4.804 4.350 0.000 0.000 0.282 141 T C -0.769 173.929 174.700 -0.004 0.000 1.000 141 T CA 0.378 62.476 62.100 -0.003 0.000 1.042 141 T CB 1.170 70.036 68.868 -0.003 0.000 0.973 141 T HN 0.602 nan 8.240 nan 0.000 0.465 142 D N 2.217 122.614 120.400 -0.006 0.000 3.908 142 D HA -0.149 4.491 4.640 0.000 0.000 0.237 142 D C -0.291 176.006 176.300 -0.004 0.000 1.091 142 D CA 0.367 54.364 54.000 -0.006 0.000 1.147 142 D CB -0.920 39.878 40.800 -0.003 0.000 0.857 142 D HN 0.654 nan 8.370 nan 0.000 0.410 143 N N 1.623 120.320 118.700 -0.005 0.000 2.275 143 N HA 0.131 4.871 4.740 0.000 0.000 0.236 143 N C -0.041 175.464 175.510 -0.007 0.000 1.154 143 N CA -0.491 52.558 53.050 -0.002 0.000 0.866 143 N CB 0.548 39.038 38.487 0.004 0.000 1.093 143 N HN 0.217 nan 8.380 nan 0.000 0.515 144 R N 1.589 122.081 120.500 -0.012 0.000 2.643 144 R HA 0.150 4.490 4.340 0.000 0.000 0.270 144 R C 0.114 176.408 176.300 -0.009 0.000 1.061 144 R CA 0.278 56.366 56.100 -0.020 0.000 1.107 144 R CB 0.267 30.555 30.300 -0.020 0.000 0.999 144 R HN 0.419 nan 8.270 nan 0.000 0.460 145 E N 0.840 121.029 120.200 -0.017 0.000 2.343 145 E HA 0.159 4.510 4.350 0.000 0.000 0.278 145 E C -1.210 175.389 176.600 -0.001 0.000 0.910 145 E CA -1.010 55.386 56.400 -0.008 0.000 0.757 145 E CB 1.404 31.094 29.700 -0.017 0.000 1.218 145 E HN 0.514 nan 8.360 nan 0.000 0.435 146 C N 4.218 123.528 119.300 0.016 0.000 2.638 146 C HA 0.363 4.823 4.460 0.000 0.000 0.410 146 C C -0.105 174.887 174.990 0.003 0.000 1.404 146 C CA 0.127 59.160 59.018 0.024 0.000 1.651 146 C CB -1.938 25.814 27.740 0.021 0.000 2.495 146 C HN 0.577 nan 8.230 nan 0.000 0.606 147 I N 6.022 126.594 120.570 0.003 0.000 2.802 147 I HA 0.458 4.629 4.170 0.000 0.000 0.298 147 I C -0.047 176.073 176.117 0.005 0.000 1.176 147 I CA -0.134 61.160 61.300 -0.010 0.000 1.025 147 I CB 2.540 40.510 38.000 -0.051 0.000 1.243 147 I HN 0.705 nan 8.210 nan 0.000 0.424 148 S N 5.932 121.635 115.700 0.004 0.000 2.638 148 S HA 0.933 5.403 4.470 0.000 0.000 0.302 148 S C -0.650 173.956 174.600 0.009 0.000 1.096 148 S CA -0.727 57.463 58.200 -0.016 0.000 0.953 148 S CB 2.492 65.683 63.200 -0.015 0.000 1.107 148 S HN 0.703 nan 8.310 nan 0.000 0.503 149 M N 0.367 119.953 119.600 -0.024 0.000 2.534 149 M HA 0.449 4.929 4.480 0.000 0.000 0.280 149 M C -2.372 173.888 176.300 -0.066 0.000 1.217 149 M CA -0.621 54.692 55.300 0.023 0.000 0.893 149 M CB 2.094 34.805 32.600 0.186 0.000 1.730 149 M HN 0.752 nan 8.290 nan 0.000 0.483 150 D N 2.224 122.618 120.400 -0.009 0.000 2.256 150 D HA 0.361 5.001 4.640 0.000 0.000 0.250 150 D C -0.883 175.491 176.300 0.124 0.000 1.093 150 D CA 0.021 54.010 54.000 -0.019 0.000 0.882 150 D CB 1.112 41.920 40.800 0.013 0.000 1.185 150 D HN 0.684 nan 8.370 nan 0.000 0.437 151 Y N -0.138 120.204 120.300 0.070 0.000 2.356 151 Y HA 0.111 4.661 4.550 0.000 0.000 0.341 151 Y C 1.428 177.360 175.900 0.052 0.000 1.343 151 Y CA -1.231 56.922 58.100 0.088 0.000 1.570 151 Y CB 1.083 39.615 38.460 0.120 0.000 1.558 151 Y HN 0.219 nan 8.280 nan 0.000 0.557 152 K N 1.983 122.525 120.400 0.236 0.000 2.297 152 K HA 0.036 4.356 4.320 0.000 0.000 0.286 152 K C -0.592 176.089 176.600 0.135 0.000 1.053 152 K CA -0.457 55.904 56.287 0.123 0.000 0.940 152 K CB 0.823 33.371 32.500 0.079 0.000 1.019 152 K HN 0.650 nan 8.250 nan 0.000 0.475 153 Q N 3.588 123.456 119.800 0.114 0.000 2.286 153 Q HA 0.064 4.404 4.340 0.000 0.000 0.265 153 Q C -1.252 174.801 176.000 0.089 0.000 1.080 153 Q CA 0.171 56.037 55.803 0.105 0.000 0.906 153 Q CB 0.560 29.355 28.738 0.094 0.000 1.227 153 Q HN 0.600 nan 8.270 nan 0.000 0.409 154 T N 4.076 118.680 114.554 0.084 0.000 2.863 154 T HA 0.389 4.739 4.350 0.000 0.000 0.285 154 T C -0.807 173.927 174.700 0.057 0.000 1.009 154 T CA -0.777 61.359 62.100 0.060 0.000 0.989 154 T CB 1.653 70.546 68.868 0.040 0.000 1.004 154 T HN 0.604 nan 8.240 nan 0.000 0.455 155 Q N 2.241 122.054 119.800 0.023 0.000 2.347 155 Q HA 0.611 4.952 4.340 0.000 0.000 0.265 155 Q C -0.989 175.006 176.000 -0.009 0.000 1.024 155 Q CA -0.707 55.088 55.803 -0.013 0.000 0.731 155 Q CB 1.526 30.168 28.738 -0.159 0.000 1.245 155 Q HN 0.667 nan 8.270 nan 0.000 0.472 156 L N -1.213 120.086 121.223 0.127 0.000 2.277 156 L HA 1.000 5.340 4.340 0.000 0.000 0.254 156 L C -1.105 175.948 176.870 0.306 0.000 1.044 156 L CA -0.920 54.013 54.840 0.155 0.000 0.842 156 L CB 2.436 44.587 42.059 0.154 0.000 1.422 156 L HN 0.562 nan 8.230 nan 0.000 0.422 157 C N 1.684 121.158 119.300 0.290 0.000 3.098 157 C HA 0.576 5.036 4.460 0.000 0.000 0.391 157 C C -1.412 173.758 174.990 0.300 0.000 1.088 157 C CA -0.588 58.651 59.018 0.368 0.000 1.294 157 C CB -0.527 27.501 27.740 0.480 0.000 1.677 157 C HN 0.847 nan 8.230 nan 0.000 0.510 158 L N 5.987 127.383 121.223 0.289 0.000 2.329 158 L HA 0.795 5.135 4.340 0.000 0.000 0.279 158 L C -0.397 176.638 176.870 0.274 0.000 1.014 158 L CA -0.781 54.210 54.840 0.251 0.000 0.814 158 L CB 1.397 43.541 42.059 0.142 0.000 1.257 158 L HN 0.333 nan 8.230 nan 0.000 0.424 159 I N 2.403 123.166 120.570 0.322 0.000 2.420 159 I HA 0.602 4.772 4.170 0.000 0.000 0.282 159 I C 0.478 176.598 176.117 0.005 0.000 1.019 159 I CA -0.136 61.370 61.300 0.343 0.000 1.130 159 I CB 0.891 39.250 38.000 0.598 0.000 1.262 159 I HN 0.761 nan 8.210 nan 0.000 0.454 160 G N 3.486 112.167 108.800 -0.198 0.000 2.788 160 G HA2 0.451 4.411 3.960 0.000 0.000 0.293 160 G HA3 0.451 4.411 3.960 0.000 0.000 0.293 160 G C 0.255 175.026 174.900 -0.216 0.000 1.305 160 G CA -0.448 44.240 45.100 -0.688 0.000 1.005 160 G HN 0.675 nan 8.290 nan 0.000 0.496 161 C N -0.785 118.401 119.300 -0.191 0.000 2.780 161 C HA 0.641 5.101 4.460 0.000 0.000 0.287 161 C C 0.494 175.592 174.990 0.180 0.000 1.288 161 C CA -0.880 58.279 59.018 0.234 0.000 1.713 161 C CB -1.653 26.319 27.740 0.386 0.000 1.955 161 C HN 0.456 nan 8.230 nan 0.000 0.613 162 R N 1.070 121.502 120.500 -0.114 0.000 2.707 162 R HA 0.511 4.851 4.340 0.000 0.000 0.272 162 R C -3.115 172.603 176.300 -0.971 0.000 1.011 162 R CA -1.440 54.379 56.100 -0.468 0.000 0.893 162 R CB 1.664 31.820 30.300 -0.240 0.000 1.233 162 R HN 0.053 nan 8.270 nan 0.000 0.464 163 P HA 0.120 nan 4.420 nan 0.000 0.276 163 P C -2.393 174.570 177.300 -0.562 0.000 1.235 163 P CA -1.139 61.236 63.100 -1.208 0.000 0.772 163 P CB 0.335 31.438 31.700 -0.995 0.000 0.871 164 P HA 0.161 nan 4.420 nan 0.000 0.274 164 P C -0.094 177.047 177.300 -0.266 0.000 1.260 164 P CA -0.084 62.850 63.100 -0.276 0.000 0.793 164 P CB 0.583 32.155 31.700 -0.213 0.000 1.048 165 I N -3.171 117.260 120.570 -0.232 0.000 2.562 165 I HA 0.841 5.011 4.170 0.000 0.000 0.301 165 I C 0.092 176.084 176.117 -0.208 0.000 1.003 165 I CA -0.728 60.449 61.300 -0.206 0.000 1.127 165 I CB 1.994 39.900 38.000 -0.157 0.000 1.304 165 I HN 0.353 nan 8.210 nan 0.000 0.446 166 G N 3.398 112.090 108.800 -0.181 0.000 2.816 166 G HA2 0.757 4.717 3.960 0.000 0.000 0.288 166 G HA3 0.757 4.717 3.960 0.000 0.000 0.288 166 G C -1.658 173.205 174.900 -0.061 0.000 1.334 166 G CA -0.809 44.203 45.100 -0.147 0.000 0.978 166 G HN 0.857 nan 8.290 nan 0.000 0.493 167 E N -0.686 119.512 120.200 -0.003 0.000 2.314 167 E HA 0.611 4.961 4.350 0.000 0.000 0.272 167 E C -1.353 175.259 176.600 0.021 0.000 0.884 167 E CA -1.034 55.337 56.400 -0.048 0.000 0.753 167 E CB 2.330 31.942 29.700 -0.148 0.000 1.213 167 E HN 0.749 nan 8.360 nan 0.000 0.432 168 H N 0.634 119.587 119.070 -0.194 0.000 3.046 168 H HA 0.229 4.785 4.556 0.000 0.000 0.361 168 H C -1.754 173.438 175.328 -0.227 0.000 1.235 168 H CA -1.334 54.621 56.048 -0.155 0.000 1.146 168 H CB 0.427 30.193 29.762 0.007 0.000 1.859 168 H HN 0.723 nan 8.280 nan 0.000 0.548 169 W N 2.384 123.626 121.300 -0.098 0.000 2.659 169 W HA 0.450 5.110 4.660 0.000 0.000 0.342 169 W C 0.835 177.280 176.519 -0.122 0.000 1.287 169 W CA 0.370 57.637 57.345 -0.130 0.000 1.460 169 W CB 0.650 30.074 29.460 -0.060 0.000 1.503 169 W HN 0.792 nan 8.180 nan 0.000 0.483 170 G N 2.362 111.157 108.800 -0.008 0.000 2.828 170 G HA2 0.384 4.344 3.960 0.000 0.000 0.244 170 G HA3 0.384 4.344 3.960 0.000 0.000 0.244 170 G C -1.207 173.747 174.900 0.090 0.000 1.365 170 G CA -0.957 44.189 45.100 0.077 0.000 1.041 170 G HN 0.219 nan 8.290 nan 0.000 0.560 171 K N -0.259 120.183 120.400 0.069 0.000 2.183 171 K HA 0.544 4.864 4.320 0.000 0.000 0.274 171 K C 0.072 176.697 176.600 0.041 0.000 1.009 171 K CA -0.393 55.924 56.287 0.050 0.000 0.888 171 K CB 0.930 33.455 32.500 0.041 0.000 1.078 171 K HN 0.521 nan 8.250 nan 0.000 0.459 172 G N 1.434 110.256 108.800 0.037 0.000 2.471 172 G HA2 0.277 4.237 3.960 0.000 0.000 0.332 172 G HA3 0.277 4.237 3.960 0.000 0.000 0.332 172 G C -0.917 173.995 174.900 0.021 0.000 1.176 172 G CA -0.583 44.535 45.100 0.031 0.000 0.949 172 G HN 0.557 nan 8.290 nan 0.000 0.488 173 T N 3.054 117.618 114.554 0.017 0.000 2.761 173 T HA 0.400 4.751 4.350 0.000 0.000 0.296 173 T C -1.492 173.214 174.700 0.010 0.000 0.934 173 T CA -0.522 61.585 62.100 0.012 0.000 1.091 173 T CB 1.063 69.937 68.868 0.009 0.000 0.896 173 T HN 0.468 nan 8.240 nan 0.000 0.515 174 P HA 0.218 nan 4.420 nan 0.000 0.271 174 P C -0.062 177.241 177.300 0.005 0.000 1.233 174 P CA -0.548 62.555 63.100 0.005 0.000 0.789 174 P CB 0.513 32.215 31.700 0.003 0.000 0.951 175 S N 0.171 115.873 115.700 0.004 0.000 2.652 175 S HA 0.104 4.574 4.470 0.000 0.000 0.270 175 S C 0.545 175.146 174.600 0.002 0.000 1.243 175 S CA -0.879 57.323 58.200 0.003 0.000 0.999 175 S CB 0.300 63.502 63.200 0.004 0.000 0.973 175 S HN 0.515 nan 8.310 nan 0.000 0.544 176 N N 1.583 120.284 118.700 0.002 0.000 2.349 176 N HA 0.115 4.855 4.740 0.000 0.000 0.296 176 N C 0.183 175.693 175.510 0.001 0.000 1.304 176 N CA 0.676 53.726 53.050 0.001 0.000 1.051 176 N CB -0.653 37.835 38.487 0.001 0.000 1.466 176 N HN 0.743 nan 8.380 nan 0.000 0.487 177 A N 3.702 126.523 122.820 0.000 0.000 2.032 177 A HA 0.264 4.584 4.320 0.000 0.000 0.169 177 A C -0.720 176.864 177.584 -0.000 0.000 1.369 177 A CA -0.375 51.662 52.037 0.000 0.000 2.498 177 A CB 0.242 19.241 19.000 -0.000 0.000 2.850 177 A HN 0.507 nan 8.150 nan 0.000 1.174 178 N N 1.264 119.964 118.700 -0.001 0.000 2.456 178 N HA 0.437 5.177 4.740 0.000 0.000 0.288 178 N C -0.437 175.073 175.510 -0.001 0.000 1.059 178 N CA -0.337 52.712 53.050 -0.001 0.000 0.946 178 N CB 1.246 39.732 38.487 -0.001 0.000 1.150 178 N HN 0.562 nan 8.380 nan 0.000 0.479 179 Q N 1.447 121.246 119.800 -0.001 0.000 2.274 179 Q HA 0.051 4.391 4.340 0.000 0.000 0.280 179 Q C -0.714 175.286 176.000 -0.002 0.000 1.047 179 Q CA -0.052 55.751 55.803 -0.001 0.000 0.907 179 Q CB 0.492 29.230 28.738 -0.001 0.000 1.171 179 Q HN 0.419 nan 8.270 nan 0.000 0.381 180 V N 6.993 126.906 119.914 -0.001 0.000 2.149 180 V HA 0.006 4.126 4.120 0.000 0.000 0.245 180 V C 0.540 176.632 176.094 -0.003 0.000 1.349 180 V CA -0.455 61.843 62.300 -0.003 0.000 1.289 180 V CB -0.836 30.985 31.823 -0.003 0.000 1.401 180 V HN 0.685 nan 8.190 nan 0.000 0.501 181 K N 2.518 122.916 120.400 -0.003 0.000 2.542 181 K HA 0.119 4.439 4.320 0.000 0.000 0.276 181 K C 0.355 176.953 176.600 -0.004 0.000 0.963 181 K CA 0.553 56.838 56.287 -0.003 0.000 0.975 181 K CB 0.408 32.907 32.500 -0.003 0.000 0.901 181 K HN 0.497 nan 8.250 nan 0.000 0.506 182 A N 1.068 123.885 122.820 -0.004 0.000 2.565 182 A HA 0.366 4.686 4.320 0.000 0.000 0.237 182 A C 1.404 178.985 177.584 -0.006 0.000 1.053 182 A CA 0.987 53.021 52.037 -0.004 0.000 0.755 182 A CB -0.930 18.067 19.000 -0.004 0.000 0.980 182 A HN 1.384 nan 8.150 nan 0.000 0.506 183 G N 1.152 109.947 108.800 -0.008 0.000 2.424 183 G HA2 -0.166 3.794 3.960 0.000 0.000 0.207 183 G HA3 -0.166 3.794 3.960 0.000 0.000 0.207 183 G C 0.234 175.127 174.900 -0.012 0.000 1.061 183 G CA 0.168 45.262 45.100 -0.010 0.000 0.657 183 G HN 0.809 nan 8.290 nan 0.000 0.508 184 E N 0.398 120.592 120.200 -0.011 0.000 2.422 184 E HA 0.305 4.655 4.350 0.000 0.000 0.260 184 E C 0.562 177.153 176.600 -0.016 0.000 1.108 184 E CA -0.073 56.320 56.400 -0.012 0.000 0.943 184 E CB 0.880 30.575 29.700 -0.010 0.000 0.961 184 E HN 0.550 nan 8.360 nan 0.000 0.443 185 C N 5.040 124.328 119.300 -0.020 0.000 2.349 185 C HA 0.295 4.755 4.460 0.000 0.000 0.348 185 C C -1.833 173.142 174.990 -0.025 0.000 1.223 185 C CA -1.673 57.329 59.018 -0.027 0.000 1.746 185 C CB -0.847 26.872 27.740 -0.035 0.000 2.360 185 C HN 0.394 nan 8.230 nan 0.000 0.533 186 P HA 0.233 nan 4.420 nan 0.000 0.268 186 P C -2.560 174.729 177.300 -0.017 0.000 1.205 186 P CA -0.704 62.389 63.100 -0.013 0.000 0.771 186 P CB 0.319 32.016 31.700 -0.005 0.000 0.858 187 P HA 0.092 nan 4.420 nan 0.000 0.271 187 P C -0.280 177.025 177.300 0.009 0.000 1.216 187 P CA -0.194 62.900 63.100 -0.010 0.000 0.771 187 P CB 0.582 32.282 31.700 0.000 0.000 0.864 188 L N 2.205 123.426 121.223 -0.003 0.000 2.453 188 L HA 0.380 4.720 4.340 0.000 0.000 0.261 188 L C 0.921 177.902 176.870 0.185 0.000 1.179 188 L CA 0.193 55.072 54.840 0.066 0.000 0.813 188 L CB -0.603 41.421 42.059 -0.058 0.000 1.110 188 L HN 0.594 nan 8.230 nan 0.000 0.466 189 E N 1.215 121.575 120.200 0.267 0.000 2.278 189 E HA 0.269 4.619 4.350 0.000 0.000 0.272 189 E C -1.526 175.114 176.600 0.067 0.000 0.890 189 E CA -0.870 55.655 56.400 0.207 0.000 0.770 189 E CB 2.092 31.832 29.700 0.067 0.000 1.212 189 E HN 0.383 nan 8.360 nan 0.000 0.415 190 L N 5.834 126.936 121.223 -0.202 0.000 2.456 190 L HA 0.268 4.608 4.340 0.000 0.000 0.277 190 L C -1.154 175.476 176.870 -0.400 0.000 1.124 190 L CA 0.407 54.838 54.840 -0.682 0.000 0.880 190 L CB 0.115 41.634 42.059 -0.899 0.000 1.192 190 L HN 0.528 nan 8.230 nan 0.000 0.463 191 L N 5.072 126.020 121.223 -0.459 0.000 2.325 191 L HA 0.466 4.806 4.340 0.000 0.000 0.279 191 L C 0.088 176.818 176.870 -0.232 0.000 1.054 191 L CA -0.617 54.028 54.840 -0.324 0.000 0.804 191 L CB 1.065 42.895 42.059 -0.382 0.000 1.200 191 L HN 0.546 nan 8.230 nan 0.000 0.436 192 N N 0.835 119.464 118.700 -0.120 0.000 2.473 192 N HA 0.518 5.258 4.740 0.000 0.000 0.291 192 N C -0.521 174.976 175.510 -0.021 0.000 1.083 192 N CA -0.127 52.879 53.050 -0.074 0.000 0.951 192 N CB 2.005 40.445 38.487 -0.078 0.000 1.164 192 N HN 0.663 nan 8.380 nan 0.000 0.480 193 T N -1.015 113.525 114.554 -0.023 0.000 2.853 193 T HA 0.420 4.770 4.350 0.000 0.000 0.311 193 T C -1.200 173.424 174.700 -0.126 0.000 1.307 193 T CA -0.615 61.466 62.100 -0.031 0.000 1.019 193 T CB 0.697 69.578 68.868 0.022 0.000 1.264 193 T HN 0.009 nan 8.240 nan 0.000 0.497 194 V N 4.042 123.842 119.914 -0.189 0.000 2.498 194 V HA 0.401 4.522 4.120 0.000 0.000 0.279 194 V C 0.457 176.379 176.094 -0.286 0.000 1.048 194 V CA -0.668 61.444 62.300 -0.314 0.000 0.967 194 V CB 1.066 32.495 31.823 -0.656 0.000 0.988 194 V HN 0.782 nan 8.190 nan 0.000 0.473 195 L N 5.502 126.559 121.223 -0.277 0.000 2.367 195 L HA 0.382 4.723 4.340 0.000 0.000 0.275 195 L C 0.182 176.985 176.870 -0.113 0.000 1.129 195 L CA 0.292 54.937 54.840 -0.325 0.000 0.839 195 L CB 0.750 42.568 42.059 -0.402 0.000 1.133 195 L HN 0.692 nan 8.230 nan 0.000 0.453 196 Q N 1.374 121.121 119.800 -0.090 0.000 2.423 196 Q HA 0.212 4.552 4.340 0.000 0.000 0.278 196 Q C -1.226 174.846 176.000 0.121 0.000 1.097 196 Q CA -0.953 54.925 55.803 0.124 0.000 0.809 196 Q CB 2.666 31.398 28.738 -0.009 0.000 1.391 196 Q HN 0.545 nan 8.270 nan 0.000 0.428 197 D N -0.473 120.062 120.400 0.225 0.000 2.493 197 D HA 0.237 4.877 4.640 0.000 0.000 0.240 197 D C 0.846 177.208 176.300 0.103 0.000 1.142 197 D CA 2.119 56.203 54.000 0.141 0.000 0.872 197 D CB 0.257 41.148 40.800 0.153 0.000 1.173 197 D HN 0.667 nan 8.370 nan 0.000 0.467 198 G N 3.085 111.959 108.800 0.123 0.000 2.218 198 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 198 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 198 G C -0.018 174.963 174.900 0.135 0.000 0.994 198 G CA -0.034 45.131 45.100 0.109 0.000 0.637 198 G HN 0.629 nan 8.290 nan 0.000 0.505 199 D N 1.347 121.843 120.400 0.159 0.000 2.368 199 D HA 0.435 5.075 4.640 0.000 0.000 0.240 199 D C 0.928 177.454 176.300 0.376 0.000 1.169 199 D CA 0.219 54.322 54.000 0.172 0.000 0.906 199 D CB 0.475 41.233 40.800 -0.070 0.000 1.187 199 D HN 0.014 nan 8.370 nan 0.000 0.435 200 M N 1.179 120.950 119.600 0.285 0.000 2.180 200 M HA 0.160 4.640 4.480 0.000 0.000 0.358 200 M C -0.084 176.443 176.300 0.378 0.000 1.233 200 M CA -1.005 54.454 55.300 0.265 0.000 1.114 200 M CB 0.837 33.527 32.600 0.150 0.000 1.594 200 M HN 0.083 nan 8.290 nan 0.000 0.467 201 V N 0.647 120.671 119.914 0.184 0.000 2.881 201 V HA 0.335 4.455 4.120 0.000 0.000 0.303 201 V C 0.073 176.249 176.094 0.137 0.000 1.070 201 V CA -1.289 61.067 62.300 0.093 0.000 1.074 201 V CB 0.119 31.856 31.823 -0.144 0.000 1.012 201 V HN 0.931 nan 8.190 nan 0.000 0.482 202 D N 1.265 121.779 120.400 0.190 0.000 2.449 202 D HA 0.233 4.874 4.640 0.000 0.000 0.236 202 D C 0.852 177.208 176.300 0.094 0.000 1.149 202 D CA 0.428 54.556 54.000 0.214 0.000 0.878 202 D CB 0.917 41.900 40.800 0.305 0.000 1.198 202 D HN 0.914 nan 8.370 nan 0.000 0.446 203 T N -2.015 112.547 114.554 0.015 0.000 3.058 203 T HA 0.469 4.820 4.350 0.000 0.000 0.278 203 T C 1.312 175.947 174.700 -0.108 0.000 0.974 203 T CA 0.024 61.981 62.100 -0.238 0.000 0.893 203 T CB 0.262 68.496 68.868 -1.056 0.000 1.138 203 T HN 1.075 nan 8.240 nan 0.000 0.529 204 G N 0.853 109.670 108.800 0.028 0.000 2.227 204 G HA2 -0.085 3.875 3.960 0.000 0.000 0.168 204 G HA3 -0.085 3.875 3.960 0.000 0.000 0.168 204 G C 0.081 174.828 174.900 -0.254 0.000 1.006 204 G CA -0.262 44.779 45.100 -0.097 0.000 0.684 204 G HN 0.435 nan 8.290 nan 0.000 0.489 205 F N 1.854 121.865 119.950 0.103 0.000 2.698 205 F HA 0.523 5.050 4.527 0.000 0.000 0.304 205 F C 1.544 177.448 175.800 0.174 0.000 1.108 205 F CA 0.429 58.532 58.000 0.171 0.000 1.263 205 F CB 0.903 40.069 39.000 0.276 0.000 1.013 205 F HN 0.721 nan 8.300 nan 0.000 0.532 206 G N 1.118 110.080 108.800 0.270 0.000 2.860 206 G HA2 0.020 3.980 3.960 0.000 0.000 0.553 206 G HA3 0.020 3.980 3.960 0.000 0.000 0.553 206 G C -0.183 174.904 174.900 0.312 0.000 1.439 206 G CA -0.618 44.633 45.100 0.251 0.000 0.879 206 G HN 0.681 nan 8.290 nan 0.000 0.545 207 A N 0.689 123.700 122.820 0.319 0.000 2.650 207 A HA 0.679 4.999 4.320 0.000 0.000 0.320 207 A C 0.685 178.472 177.584 0.339 0.000 1.466 207 A CA 0.943 53.181 52.037 0.335 0.000 1.099 207 A CB -0.678 18.514 19.000 0.319 0.000 1.136 207 A HN 1.849 nan 8.150 nan 0.000 0.532 208 M N -0.084 119.684 119.600 0.280 0.000 2.826 208 M HA 0.686 5.166 4.480 0.000 0.000 0.284 208 M C -1.458 174.985 176.300 0.237 0.000 1.191 208 M CA -0.824 54.603 55.300 0.212 0.000 0.745 208 M CB 1.392 33.986 32.600 -0.011 0.000 1.750 208 M HN 0.190 nan 8.290 nan 0.000 0.434 209 D N 0.346 120.859 120.400 0.188 0.000 2.464 209 D HA 0.366 5.006 4.640 0.000 0.000 0.243 209 D C -0.281 176.077 176.300 0.097 0.000 1.104 209 D CA -0.364 53.761 54.000 0.208 0.000 0.883 209 D CB 0.564 41.506 40.800 0.236 0.000 1.050 209 D HN 0.547 nan 8.370 nan 0.000 0.524 210 F N 0.947 120.934 119.950 0.063 0.000 2.234 210 F HA -0.115 4.412 4.527 0.000 0.000 0.299 210 F C 2.516 178.324 175.800 0.013 0.000 1.087 210 F CA 1.000 59.014 58.000 0.023 0.000 1.340 210 F CB -0.532 38.464 39.000 -0.007 0.000 1.031 210 F HN 0.317 nan 8.300 nan 0.000 0.500 211 T N -2.151 112.521 114.554 0.197 0.000 2.732 211 T HA -0.162 4.188 4.350 0.000 0.000 0.261 211 T C 2.073 176.818 174.700 0.075 0.000 1.040 211 T CA 1.793 63.959 62.100 0.110 0.000 1.145 211 T CB -1.157 67.765 68.868 0.089 0.000 0.866 211 T HN 0.370 nan 8.240 nan 0.000 0.427 212 T N 0.351 114.950 114.554 0.074 0.000 2.942 212 T HA 0.131 4.481 4.350 0.000 0.000 0.265 212 T C 1.763 176.482 174.700 0.032 0.000 1.062 212 T CA 0.375 62.505 62.100 0.051 0.000 1.139 212 T CB -0.391 68.514 68.868 0.061 0.000 0.883 212 T HN 0.090 nan 8.240 nan 0.000 0.468 213 L N 0.735 121.972 121.223 0.023 0.000 2.416 213 L HA 0.365 4.705 4.340 0.000 0.000 0.216 213 L C 0.797 177.650 176.870 -0.029 0.000 1.098 213 L CA 0.903 55.733 54.840 -0.016 0.000 0.840 213 L CB -0.412 41.615 42.059 -0.053 0.000 0.981 213 L HN 0.397 nan 8.230 nan 0.000 0.462 214 Q N -1.198 118.597 119.800 -0.009 0.000 2.413 214 Q HA 0.490 4.830 4.340 0.000 0.000 0.258 214 Q C 0.857 176.857 176.000 0.000 0.000 1.037 214 Q CA 0.093 55.890 55.803 -0.011 0.000 0.764 214 Q CB 1.689 30.422 28.738 -0.008 0.000 1.217 214 Q HN 0.146 nan 8.270 nan 0.000 0.490 215 A N 3.591 126.404 122.820 -0.011 0.000 1.835 215 A HA -0.251 4.069 4.320 0.000 0.000 0.215 215 A C 1.816 179.394 177.584 -0.011 0.000 1.199 215 A CA 2.051 54.084 52.037 -0.006 0.000 0.615 215 A CB -0.607 18.386 19.000 -0.011 0.000 0.838 215 A HN 0.890 nan 8.150 nan 0.000 0.444 216 N N 1.241 119.925 118.700 -0.027 0.000 2.405 216 N HA -0.270 4.470 4.740 0.000 0.000 0.189 216 N C 0.576 176.063 175.510 -0.039 0.000 1.021 216 N CA 1.710 54.738 53.050 -0.038 0.000 0.891 216 N CB -0.836 37.614 38.487 -0.061 0.000 0.955 216 N HN 0.755 nan 8.380 nan 0.000 0.443 217 K N -1.308 119.074 120.400 -0.030 0.000 3.177 217 K HA -0.183 4.137 4.320 0.000 0.000 0.266 217 K C -0.813 175.737 176.600 -0.083 0.000 0.937 217 K CA 1.076 57.355 56.287 -0.014 0.000 0.702 217 K CB -2.510 30.007 32.500 0.029 0.000 1.365 217 K HN 0.270 nan 8.250 nan 0.000 0.466 218 S N 0.125 115.692 115.700 -0.222 0.000 3.053 218 S HA 0.061 4.531 4.470 0.000 0.000 0.255 218 S C -0.585 173.685 174.600 -0.549 0.000 0.976 218 S CA -0.010 57.881 58.200 -0.515 0.000 1.159 218 S CB 0.458 63.449 63.200 -0.347 0.000 1.110 218 S HN 0.629 nan 8.310 nan 0.000 0.633 219 D N 1.351 121.525 120.400 -0.377 0.000 2.788 219 D HA 0.393 5.033 4.640 0.000 0.000 0.289 219 D C -0.169 175.862 176.300 -0.448 0.000 1.340 219 D CA -0.498 53.257 54.000 -0.409 0.000 0.831 219 D CB 0.416 40.983 40.800 -0.388 0.000 1.103 219 D HN 0.165 nan 8.370 nan 0.000 0.476 220 V N -4.386 115.271 119.914 -0.428 0.000 3.023 220 V HA 0.498 4.618 4.120 0.000 0.000 0.294 220 V C -2.964 172.978 176.094 -0.254 0.000 1.324 220 V CA -2.154 59.847 62.300 -0.498 0.000 0.979 220 V CB 1.641 33.138 31.823 -0.543 0.000 1.093 220 V HN -0.243 nan 8.190 nan 0.000 0.434 221 P HA 0.119 nan 4.420 nan 0.000 0.270 221 P C 1.002 178.273 177.300 -0.047 0.000 1.216 221 P CA -0.108 62.957 63.100 -0.059 0.000 0.788 221 P CB 0.417 32.075 31.700 -0.070 0.000 0.883 222 L N 1.376 122.555 121.223 -0.073 0.000 2.191 222 L HA -0.149 4.191 4.340 0.000 0.000 0.212 222 L C 1.542 178.408 176.870 -0.008 0.000 1.103 222 L CA 2.031 56.858 54.840 -0.021 0.000 0.769 222 L CB -1.978 40.079 42.059 -0.003 0.000 0.908 222 L HN 0.454 nan 8.230 nan 0.000 0.438 223 D N 0.167 120.537 120.400 -0.050 0.000 2.310 223 D HA -0.177 4.463 4.640 0.000 0.000 0.212 223 D C 1.823 178.125 176.300 0.004 0.000 0.965 223 D CA 1.069 55.101 54.000 0.053 0.000 0.879 223 D CB -0.180 40.706 40.800 0.144 0.000 0.921 223 D HN 0.596 nan 8.370 nan 0.000 0.510 224 I N -2.391 118.098 120.570 -0.135 0.000 4.624 224 I HA 0.183 4.353 4.170 0.000 0.000 0.327 224 I C 1.903 177.716 176.117 -0.507 0.000 1.295 224 I CA -0.269 60.813 61.300 -0.363 0.000 1.267 224 I CB -0.182 37.425 38.000 -0.656 0.000 1.249 224 I HN 0.151 nan 8.210 nan 0.000 0.440 225 C N 2.349 121.445 119.300 -0.339 0.000 2.398 225 C HA -0.108 4.352 4.460 0.000 0.000 0.282 225 C C 2.231 177.202 174.990 -0.031 0.000 1.275 225 C CA 1.363 60.270 59.018 -0.184 0.000 1.797 225 C CB -1.549 26.171 27.740 -0.033 0.000 1.991 225 C HN 0.769 nan 8.230 nan 0.000 0.505 226 S N -0.619 115.068 115.700 -0.020 0.000 2.941 226 S HA 0.504 4.974 4.470 0.000 0.000 0.251 226 S C 0.006 174.635 174.600 0.048 0.000 1.029 226 S CA 0.028 58.253 58.200 0.041 0.000 1.062 226 S CB -0.011 63.209 63.200 0.034 0.000 0.977 226 S HN 0.631 nan 8.310 nan 0.000 0.552 227 S N 0.669 116.394 115.700 0.043 0.000 2.900 227 S HA 0.702 5.172 4.470 0.000 0.000 0.320 227 S C -0.830 173.858 174.600 0.146 0.000 1.130 227 S CA -0.895 57.340 58.200 0.057 0.000 0.863 227 S CB 0.768 63.980 63.200 0.021 0.000 1.295 227 S HN 0.423 nan 8.310 nan 0.000 0.596 228 I N 0.736 121.358 120.570 0.087 0.000 2.474 228 I HA 0.397 4.567 4.170 0.000 0.000 0.294 228 I C -1.019 175.172 176.117 0.124 0.000 1.005 228 I CA -0.448 60.903 61.300 0.085 0.000 1.113 228 I CB 1.557 39.447 38.000 -0.182 0.000 1.289 228 I HN 0.439 nan 8.210 nan 0.000 0.436 229 C N 5.897 125.355 119.300 0.265 0.000 2.281 229 C HA 0.392 4.852 4.460 0.000 0.000 0.325 229 C C 0.241 175.377 174.990 0.243 0.000 1.282 229 C CA -0.716 58.464 59.018 0.270 0.000 1.640 229 C CB 0.109 28.080 27.740 0.386 0.000 2.288 229 C HN 0.660 nan 8.230 nan 0.000 0.507 230 K N 2.523 123.057 120.400 0.223 0.000 2.118 230 K HA 0.454 4.774 4.320 0.000 0.000 0.254 230 K C -1.265 175.502 176.600 0.279 0.000 0.961 230 K CA -0.456 55.931 56.287 0.167 0.000 0.876 230 K CB 2.019 34.477 32.500 -0.069 0.000 1.077 230 K HN 0.676 nan 8.250 nan 0.000 0.440 231 Y N 1.931 122.299 120.300 0.112 0.000 2.376 231 Y HA 0.274 4.824 4.550 0.000 0.000 0.340 231 Y C -2.437 173.434 175.900 -0.049 0.000 0.965 231 Y CA -2.284 55.874 58.100 0.096 0.000 1.078 231 Y CB 1.790 40.300 38.460 0.084 0.000 1.193 231 Y HN 0.401 nan 8.280 nan 0.000 0.452 232 P HA -0.053 nan 4.420 nan 0.000 0.264 232 P C -0.747 176.357 177.300 -0.326 0.000 1.193 232 P CA 0.316 63.122 63.100 -0.491 0.000 0.763 232 P CB 0.540 31.578 31.700 -1.103 0.000 0.810 233 D N 2.828 123.090 120.400 -0.231 0.000 2.608 233 D HA 0.015 4.655 4.640 0.000 0.000 0.224 233 D C 0.697 176.933 176.300 -0.106 0.000 1.123 233 D CA -0.026 53.913 54.000 -0.102 0.000 1.030 233 D CB -0.400 40.339 40.800 -0.102 0.000 1.093 233 D HN 0.327 nan 8.370 nan 0.000 0.497 234 Y N 0.765 121.066 120.300 0.001 0.000 2.128 234 Y HA -0.236 4.314 4.550 0.000 0.000 0.284 234 Y C 2.401 178.249 175.900 -0.086 0.000 1.154 234 Y CA 0.763 58.802 58.100 -0.102 0.000 1.149 234 Y CB -0.088 38.331 38.460 -0.069 0.000 0.976 234 Y HN 0.272 nan 8.280 nan 0.000 0.505 235 L N 0.047 121.354 121.223 0.140 0.000 2.043 235 L HA -0.315 4.025 4.340 0.000 0.000 0.212 235 L C 2.530 179.415 176.870 0.025 0.000 1.075 235 L CA 1.759 56.638 54.840 0.065 0.000 0.752 235 L CB -0.400 41.688 42.059 0.049 0.000 0.891 235 L HN 0.207 nan 8.230 nan 0.000 0.432 236 K N -0.222 120.177 120.400 -0.002 0.000 2.031 236 K HA -0.129 4.191 4.320 0.000 0.000 0.205 236 K C 2.145 178.731 176.600 -0.024 0.000 1.049 236 K CA 1.275 57.549 56.287 -0.022 0.000 0.939 236 K CB -0.033 32.439 32.500 -0.046 0.000 0.717 236 K HN 0.147 nan 8.250 nan 0.000 0.438 237 M N 0.009 119.580 119.600 -0.047 0.000 2.279 237 M HA -0.139 4.342 4.480 0.000 0.000 0.264 237 M C 1.988 178.277 176.300 -0.018 0.000 1.062 237 M CA 0.947 56.213 55.300 -0.057 0.000 1.099 237 M CB 0.060 32.590 32.600 -0.116 0.000 1.394 237 M HN -0.001 nan 8.290 nan 0.000 0.426 238 V N -0.970 118.940 119.914 -0.007 0.000 2.488 238 V HA -0.142 3.978 4.120 0.000 0.000 0.246 238 V C 2.077 178.202 176.094 0.050 0.000 1.046 238 V CA 1.583 63.899 62.300 0.026 0.000 1.053 238 V CB -0.079 31.764 31.823 0.033 0.000 0.679 238 V HN 0.360 nan 8.190 nan 0.000 0.458 239 S N -0.637 115.085 115.700 0.037 0.000 2.607 239 S HA -0.006 4.464 4.470 0.000 0.000 0.224 239 S C 0.810 175.436 174.600 0.043 0.000 0.969 239 S CA 0.048 58.272 58.200 0.040 0.000 0.927 239 S CB -0.395 62.821 63.200 0.026 0.000 0.772 239 S HN 0.742 nan 8.310 nan 0.000 0.533 240 E N 2.102 122.331 120.200 0.050 0.000 2.301 240 E HA 0.148 4.498 4.350 0.000 0.000 0.275 240 E C -1.729 174.920 176.600 0.083 0.000 1.030 240 E CA -1.886 54.543 56.400 0.048 0.000 0.852 240 E CB 1.112 30.842 29.700 0.051 0.000 1.060 240 E HN 0.029 nan 8.360 nan 0.000 0.401 241 P HA -0.158 nan 4.420 nan 0.000 0.217 241 P C 0.839 178.156 177.300 0.028 0.000 1.150 241 P CA 1.344 64.428 63.100 -0.026 0.000 0.832 241 P CB -0.015 31.559 31.700 -0.210 0.000 0.787 242 Y N 0.219 120.601 120.300 0.138 0.000 2.231 242 Y HA 0.221 4.771 4.550 0.000 0.000 0.294 242 Y C 1.603 177.668 175.900 0.274 0.000 1.120 242 Y CA 0.719 58.928 58.100 0.183 0.000 1.141 242 Y CB -0.655 37.867 38.460 0.103 0.000 1.022 242 Y HN 0.003 nan 8.280 nan 0.000 0.523 243 G N 1.290 110.305 108.800 0.359 0.000 2.473 243 G HA2 -0.220 3.741 3.960 0.000 0.000 0.289 243 G HA3 -0.220 3.741 3.960 0.000 0.000 0.289 243 G C -0.304 174.763 174.900 0.278 0.000 1.084 243 G CA 0.419 45.678 45.100 0.264 0.000 1.215 243 G HN 0.370 nan 8.290 nan 0.000 0.527 244 D N 0.155 120.671 120.400 0.193 0.000 2.463 244 D HA 0.081 4.721 4.640 0.000 0.000 0.237 244 D C 2.418 178.647 176.300 -0.118 0.000 1.013 244 D CA 0.572 54.656 54.000 0.140 0.000 0.910 244 D CB -0.163 40.744 40.800 0.177 0.000 1.080 244 D HN 0.417 nan 8.370 nan 0.000 0.498 245 M N 0.552 120.095 119.600 -0.095 0.000 2.113 245 M HA -0.185 4.295 4.480 0.000 0.000 0.255 245 M C 0.023 176.166 176.300 -0.263 0.000 1.073 245 M CA 1.633 56.822 55.300 -0.185 0.000 1.091 245 M CB 0.029 32.553 32.600 -0.127 0.000 1.309 245 M HN 0.115 nan 8.290 nan 0.000 0.407 246 L N -3.524 117.568 121.223 -0.219 0.000 2.472 246 L HA 0.531 4.871 4.340 0.000 0.000 0.260 246 L C -1.083 175.747 176.870 -0.068 0.000 0.963 246 L CA -0.955 53.743 54.840 -0.236 0.000 0.829 246 L CB 1.424 43.419 42.059 -0.106 0.000 1.348 246 L HN 0.180 nan 8.230 nan 0.000 0.408 247 F N 1.040 121.134 119.950 0.240 0.000 2.856 247 F HA 0.763 5.290 4.527 0.000 0.000 0.333 247 F C -0.751 175.275 175.800 0.377 0.000 1.200 247 F CA -1.630 56.530 58.000 0.267 0.000 1.128 247 F CB -0.237 38.902 39.000 0.232 0.000 1.172 247 F HN 0.503 nan 8.300 nan 0.000 0.511 248 F N 1.941 122.152 119.950 0.434 0.000 2.728 248 F HA 0.526 5.053 4.527 0.000 0.000 0.315 248 F C -2.054 173.959 175.800 0.356 0.000 1.096 248 F CA -1.551 56.644 58.000 0.324 0.000 0.997 248 F CB 0.711 39.875 39.000 0.274 0.000 1.252 248 F HN 0.171 nan 8.300 nan 0.000 0.458 249 Y N 3.421 123.228 120.300 -0.822 0.000 2.677 249 Y HA 0.842 5.392 4.550 0.000 0.000 0.334 249 Y C -2.302 173.215 175.900 -0.638 0.000 1.196 249 Y CA -1.791 56.011 58.100 -0.496 0.000 1.059 249 Y CB 1.679 40.077 38.460 -0.104 0.000 1.315 249 Y HN 0.584 nan 8.280 nan 0.000 0.455 250 L N 2.598 123.661 121.223 -0.266 0.000 2.562 250 L HA 0.648 4.988 4.340 0.000 0.000 0.266 250 L C -1.255 175.551 176.870 -0.106 0.000 0.949 250 L CA -0.919 53.721 54.840 -0.333 0.000 0.879 250 L CB 2.452 44.299 42.059 -0.353 0.000 1.278 250 L HN 0.818 nan 8.230 nan 0.000 0.404 251 R N 1.647 122.083 120.500 -0.106 0.000 2.670 251 R HA 0.899 5.239 4.340 0.000 0.000 0.289 251 R C -0.636 175.634 176.300 -0.049 0.000 0.965 251 R CA -1.010 55.082 56.100 -0.014 0.000 0.899 251 R CB 2.270 32.564 30.300 -0.010 0.000 1.173 251 R HN 0.518 nan 8.270 nan 0.000 0.456 252 R N 1.462 121.950 120.500 -0.020 0.000 2.985 252 R HA 0.103 4.443 4.340 0.000 0.000 0.259 252 R C -1.387 174.922 176.300 0.014 0.000 1.815 252 R CA -0.250 55.834 56.100 -0.025 0.000 1.278 252 R CB 0.874 31.134 30.300 -0.066 0.000 1.403 252 R HN 0.948 nan 8.270 nan 0.000 0.534 253 E N 2.823 123.051 120.200 0.047 0.000 2.263 253 E HA 0.492 4.842 4.350 0.000 0.000 0.264 253 E C -1.275 175.373 176.600 0.079 0.000 0.923 253 E CA -0.946 55.502 56.400 0.079 0.000 0.802 253 E CB 2.366 32.144 29.700 0.130 0.000 1.228 253 E HN 0.484 nan 8.360 nan 0.000 0.417 254 Q N 2.173 122.027 119.800 0.090 0.000 2.574 254 Q HA 0.489 4.829 4.340 0.000 0.000 0.265 254 Q C -1.187 174.880 176.000 0.110 0.000 0.975 254 Q CA -0.987 54.872 55.803 0.093 0.000 0.923 254 Q CB 1.819 30.607 28.738 0.084 0.000 1.518 254 Q HN 0.715 nan 8.270 nan 0.000 0.401 255 M N 1.776 121.455 119.600 0.132 0.000 3.015 255 M HA 0.680 5.160 4.480 0.000 0.000 0.272 255 M C -2.160 174.263 176.300 0.205 0.000 1.085 255 M CA -0.471 54.904 55.300 0.125 0.000 0.795 255 M CB 1.800 34.428 32.600 0.048 0.000 1.632 255 M HN 1.100 nan 8.290 nan 0.000 0.535 256 F N -0.041 119.924 119.950 0.026 0.000 2.831 256 F HA 0.772 5.299 4.527 0.000 0.000 0.318 256 F C -1.707 174.093 175.800 0.001 0.000 1.174 256 F CA -0.946 57.058 58.000 0.006 0.000 0.918 256 F CB 0.608 39.609 39.000 0.002 0.000 1.364 256 F HN 0.285 nan 8.300 nan 0.000 0.475 257 V N 2.945 123.039 119.914 0.299 0.000 2.267 257 V HA 0.326 4.446 4.120 0.000 0.000 0.254 257 V C 1.166 177.306 176.094 0.077 0.000 1.144 257 V CA -0.202 62.141 62.300 0.072 0.000 0.992 257 V CB -0.137 31.717 31.823 0.051 0.000 1.199 257 V HN 0.895 nan 8.190 nan 0.000 0.493 258 R N 2.722 123.135 120.500 -0.146 0.000 2.073 258 R HA -0.040 4.300 4.340 0.000 0.000 0.234 258 R C 0.515 176.842 176.300 0.044 0.000 1.134 258 R CA 1.762 57.878 56.100 0.027 0.000 0.952 258 R CB -0.119 30.191 30.300 0.017 0.000 0.850 258 R HN 0.759 nan 8.270 nan 0.000 0.433 259 H N -2.650 116.320 119.070 -0.168 0.000 2.931 259 H HA 0.557 5.113 4.556 0.000 0.000 0.331 259 H C -1.322 173.700 175.328 -0.510 0.000 1.273 259 H CA -0.662 55.164 56.048 -0.371 0.000 1.171 259 H CB 1.421 30.808 29.762 -0.626 0.000 1.898 259 H HN -0.016 nan 8.280 nan 0.000 0.562 260 L N 1.677 122.570 121.223 -0.550 0.000 2.406 260 L HA 0.456 4.796 4.340 0.000 0.000 0.270 260 L C -1.173 175.344 176.870 -0.588 0.000 0.982 260 L CA -0.152 54.397 54.840 -0.485 0.000 0.843 260 L CB 0.899 42.779 42.059 -0.298 0.000 1.225 260 L HN 0.329 nan 8.230 nan 0.000 0.412 261 F N 0.719 120.449 119.950 -0.366 0.000 2.618 261 F HA 0.456 4.983 4.527 0.000 0.000 0.332 261 F C 0.327 176.039 175.800 -0.146 0.000 1.061 261 F CA -0.785 56.987 58.000 -0.380 0.000 0.974 261 F CB 1.996 40.425 39.000 -0.951 0.000 1.310 261 F HN 0.403 nan 8.300 nan 0.000 0.491 262 N N 0.732 119.625 118.700 0.322 0.000 2.362 262 N HA 0.321 5.061 4.740 0.000 0.000 0.298 262 N C -0.955 174.784 175.510 0.382 0.000 1.048 262 N CA -0.787 52.449 53.050 0.311 0.000 0.858 262 N CB 1.039 39.655 38.487 0.215 0.000 1.218 262 N HN 0.371 nan 8.380 nan 0.000 0.488 263 R N 1.145 121.837 120.500 0.321 0.000 2.560 263 R HA 0.434 4.774 4.340 0.000 0.000 0.270 263 R C -0.185 176.168 176.300 0.089 0.000 1.074 263 R CA -0.346 55.878 56.100 0.206 0.000 1.140 263 R CB 1.065 31.421 30.300 0.094 0.000 1.073 263 R HN 0.521 nan 8.270 nan 0.000 0.527 264 A N 0.003 122.848 122.820 0.043 0.000 2.242 264 A HA 0.714 5.035 4.320 0.000 0.000 0.304 264 A C 0.121 177.701 177.584 -0.008 0.000 1.100 264 A CA 0.099 52.145 52.037 0.015 0.000 0.860 264 A CB 0.595 19.600 19.000 0.008 0.000 1.168 264 A HN 0.811 nan 8.150 nan 0.000 0.503 265 G N -0.917 107.878 108.800 -0.009 0.000 2.692 265 G HA2 0.320 4.280 3.960 0.000 0.000 0.686 265 G HA3 0.320 4.280 3.960 0.000 0.000 0.686 265 G C 0.009 174.899 174.900 -0.016 0.000 1.243 265 G CA 0.093 45.184 45.100 -0.015 0.000 0.782 265 G HN 2.333 nan 8.290 nan 0.000 0.625 266 T N -1.876 112.669 114.554 -0.015 0.000 2.946 266 T HA 0.401 4.751 4.350 0.000 0.000 0.312 266 T C 0.655 175.341 174.700 -0.023 0.000 1.066 266 T CA 0.198 62.289 62.100 -0.016 0.000 1.138 266 T CB 1.182 70.043 68.868 -0.011 0.000 1.014 266 T HN 1.646 nan 8.240 nan 0.000 0.544 267 V N 4.766 124.663 119.914 -0.028 0.000 2.368 267 V HA 0.425 4.545 4.120 0.000 0.000 0.266 267 V C 1.809 177.887 176.094 -0.027 0.000 1.045 267 V CA 0.001 62.280 62.300 -0.035 0.000 0.899 267 V CB 0.248 32.040 31.823 -0.052 0.000 1.006 267 V HN 1.200 nan 8.190 nan 0.000 0.470 268 G N 4.523 113.307 108.800 -0.026 0.000 2.545 268 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 268 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 268 G C 0.528 175.418 174.900 -0.017 0.000 1.218 268 G CA 0.351 45.439 45.100 -0.021 0.000 0.787 268 G HN 0.726 nan 8.290 nan 0.000 0.571 269 E N 1.532 121.720 120.200 -0.020 0.000 1.963 269 E HA 0.351 4.701 4.350 0.000 0.000 0.274 269 E C -0.002 176.590 176.600 -0.012 0.000 1.061 269 E CA -0.326 56.066 56.400 -0.014 0.000 0.847 269 E CB 0.599 30.290 29.700 -0.015 0.000 1.083 269 E HN 0.352 nan 8.360 nan 0.000 0.402 270 T N -1.048 113.503 114.554 -0.005 0.000 2.940 270 T HA 0.060 4.410 4.350 0.000 0.000 0.309 270 T C 0.688 175.398 174.700 0.018 0.000 1.056 270 T CA -0.896 61.205 62.100 0.001 0.000 1.137 270 T CB 0.686 69.562 68.868 0.013 0.000 0.976 270 T HN 0.047 nan 8.240 nan 0.000 0.547 271 V N 5.172 125.095 119.914 0.015 0.000 2.493 271 V HA 0.138 4.259 4.120 0.000 0.000 0.292 271 V C -1.694 174.501 176.094 0.168 0.000 1.016 271 V CA -1.252 61.081 62.300 0.056 0.000 1.097 271 V CB -0.524 31.283 31.823 -0.026 0.000 0.947 271 V HN 0.828 nan 8.190 nan 0.000 0.479 272 P HA 0.128 nan 4.420 nan 0.000 0.262 272 P C 0.609 178.008 177.300 0.165 0.000 1.199 272 P CA 0.087 63.257 63.100 0.116 0.000 0.763 272 P CB 0.820 32.565 31.700 0.074 0.000 0.790 273 A N 3.871 126.730 122.820 0.064 0.000 2.125 273 A HA -0.144 4.176 4.320 0.000 0.000 0.219 273 A C 1.390 178.753 177.584 -0.368 0.000 1.156 273 A CA 1.337 53.275 52.037 -0.166 0.000 0.671 273 A CB -0.662 18.258 19.000 -0.133 0.000 0.794 273 A HN 0.631 nan 8.150 nan 0.000 0.459 274 D N -0.788 119.528 120.400 -0.140 0.000 2.319 274 D HA 0.067 4.707 4.640 0.000 0.000 0.230 274 D C 1.123 177.391 176.300 -0.054 0.000 1.094 274 D CA 0.051 53.986 54.000 -0.109 0.000 0.856 274 D CB -0.017 40.752 40.800 -0.052 0.000 0.915 274 D HN 0.482 nan 8.370 nan 0.000 0.517 275 L N -0.593 120.633 121.223 0.006 0.000 2.638 275 L HA 0.178 4.518 4.340 0.000 0.000 0.232 275 L C -0.137 176.848 176.870 0.192 0.000 1.099 275 L CA -0.122 54.791 54.840 0.122 0.000 0.883 275 L CB 0.283 42.460 42.059 0.197 0.000 1.136 275 L HN 0.085 nan 8.230 nan 0.000 0.492 276 Y N -2.829 117.469 120.300 -0.004 0.000 2.644 276 Y HA 0.616 5.167 4.550 0.000 0.000 0.338 276 Y C -0.763 175.130 175.900 -0.011 0.000 1.119 276 Y CA -1.552 56.543 58.100 -0.008 0.000 1.060 276 Y CB 0.875 39.329 38.460 -0.010 0.000 1.294 276 Y HN -0.259 nan 8.280 nan 0.000 0.472 277 I N 2.970 123.508 120.570 -0.054 0.000 2.331 277 I HA 0.231 4.401 4.170 0.000 0.000 0.292 277 I C -0.266 175.839 176.117 -0.020 0.000 0.998 277 I CA -1.070 60.169 61.300 -0.102 0.000 1.267 277 I CB 1.302 39.289 38.000 -0.021 0.000 1.386 277 I HN 0.479 nan 8.210 nan 0.000 0.476 278 K N 5.223 125.562 120.400 -0.102 0.000 2.366 278 K HA 0.052 4.372 4.320 0.000 0.000 0.279 278 K C 0.265 176.893 176.600 0.048 0.000 1.098 278 K CA -0.040 56.248 56.287 0.002 0.000 1.087 278 K CB 0.239 32.717 32.500 -0.037 0.000 0.901 278 K HN 0.846 nan 8.250 nan 0.000 0.463 279 G N 2.507 111.366 108.800 0.098 0.000 2.320 279 G HA2 0.060 4.021 3.960 0.000 0.000 0.300 279 G HA3 0.060 4.021 3.960 0.000 0.000 0.300 279 G C 0.139 175.053 174.900 0.024 0.000 1.126 279 G CA -0.351 44.774 45.100 0.041 0.000 0.896 279 G HN 0.468 nan 8.290 nan 0.000 0.436 280 T N 1.497 116.062 114.554 0.017 0.000 2.906 280 T HA 0.287 4.637 4.350 0.000 0.000 0.320 280 T C 0.849 175.564 174.700 0.024 0.000 1.088 280 T CA 1.210 63.323 62.100 0.023 0.000 1.120 280 T CB -0.147 68.735 68.868 0.022 0.000 1.000 280 T HN 1.196 nan 8.240 nan 0.000 0.550 281 T N 1.526 116.107 114.554 0.045 0.000 2.923 281 T HA 0.188 4.538 4.350 0.000 0.000 0.463 281 T C 0.007 174.744 174.700 0.062 0.000 0.780 281 T CA 0.540 62.689 62.100 0.082 0.000 2.436 281 T CB -1.935 67.004 68.868 0.117 0.000 1.675 281 T HN 1.581 nan 8.240 nan 0.000 0.598 282 G N 0.650 109.495 108.800 0.075 0.000 2.343 282 G HA2 0.406 4.366 3.960 0.000 0.000 0.298 282 G HA3 0.406 4.366 3.960 0.000 0.000 0.298 282 G C -0.145 174.784 174.900 0.049 0.000 1.644 282 G CA -0.130 45.011 45.100 0.068 0.000 0.958 282 G HN 0.478 nan 8.290 nan 0.000 0.702 283 T N 1.701 116.302 114.554 0.078 0.000 3.244 283 T HA 0.368 4.718 4.350 0.000 0.000 0.254 283 T C 0.488 175.189 174.700 0.002 0.000 1.024 283 T CA 0.383 62.510 62.100 0.045 0.000 0.920 283 T CB -0.387 68.513 68.868 0.052 0.000 1.042 283 T HN 1.752 nan 8.240 nan 0.000 0.572 284 L N 2.475 123.668 121.223 -0.050 0.000 2.827 284 L HA -0.087 4.253 4.340 0.000 0.000 0.637 284 L C -1.921 174.890 176.870 -0.099 0.000 1.007 284 L CA -0.703 54.055 54.840 -0.137 0.000 1.336 284 L CB -0.948 40.998 42.059 -0.188 0.000 1.826 284 L HN 0.149 nan 8.230 nan 0.000 0.871 285 P HA 0.077 nan 4.420 nan 0.000 0.273 285 P C 0.036 177.298 177.300 -0.063 0.000 1.248 285 P CA 0.111 63.212 63.100 0.001 0.000 0.817 285 P CB 0.363 32.079 31.700 0.027 0.000 0.995 286 S N -1.348 114.318 115.700 -0.056 0.000 2.585 286 S HA 0.209 4.679 4.470 0.000 0.000 0.273 286 S C 0.543 174.936 174.600 -0.344 0.000 1.339 286 S CA 0.128 58.242 58.200 -0.144 0.000 1.028 286 S CB -0.337 62.809 63.200 -0.090 0.000 0.906 286 S HN 0.482 nan 8.310 nan 0.000 0.528 287 T N 1.849 116.145 114.554 -0.430 0.000 3.144 287 T HA 0.158 4.508 4.350 0.000 0.000 0.290 287 T C -0.114 174.186 174.700 -0.665 0.000 0.966 287 T CA -0.197 61.498 62.100 -0.674 0.000 0.907 287 T CB 0.049 68.755 68.868 -0.269 0.000 1.152 287 T HN 0.675 nan 8.240 nan 0.000 0.532 288 S N 2.264 117.708 115.700 -0.427 0.000 2.681 288 S HA 0.469 4.939 4.470 0.000 0.000 0.313 288 S C -0.660 173.908 174.600 -0.052 0.000 1.137 288 S CA -0.740 57.364 58.200 -0.160 0.000 1.045 288 S CB -0.681 62.492 63.200 -0.045 0.000 1.208 288 S HN 0.361 nan 8.310 nan 0.000 0.523 289 Y N 2.496 122.897 120.300 0.167 0.000 2.387 289 Y HA 0.666 5.216 4.550 0.000 0.000 0.336 289 Y C -0.058 176.011 175.900 0.281 0.000 1.067 289 Y CA -1.523 56.687 58.100 0.183 0.000 1.114 289 Y CB 1.092 39.591 38.460 0.066 0.000 1.208 289 Y HN 0.713 nan 8.280 nan 0.000 0.458 290 F N 2.388 122.523 119.950 0.308 0.000 2.601 290 F HA 0.879 5.406 4.527 0.000 0.000 0.309 290 F C -3.452 172.481 175.800 0.222 0.000 1.089 290 F CA -2.848 55.295 58.000 0.239 0.000 0.940 290 F CB 2.095 41.270 39.000 0.292 0.000 1.273 290 F HN 0.121 nan 8.300 nan 0.000 0.450 291 P HA 0.379 nan 4.420 nan 0.000 0.287 291 P C -1.255 176.062 177.300 0.028 0.000 1.290 291 P CA -0.473 62.579 63.100 -0.080 0.000 0.889 291 P CB 2.265 33.914 31.700 -0.084 0.000 1.190 292 T N 2.937 117.505 114.554 0.023 0.000 2.758 292 T HA 0.428 4.778 4.350 0.000 0.000 0.285 292 T C -2.215 172.473 174.700 -0.022 0.000 0.981 292 T CA -1.324 60.858 62.100 0.136 0.000 0.965 292 T CB 0.777 69.803 68.868 0.262 0.000 0.927 292 T HN 0.363 nan 8.240 nan 0.000 0.448 293 P HA 0.442 nan 4.420 nan 0.000 0.279 293 P C -0.739 176.437 177.300 -0.207 0.000 1.282 293 P CA -0.684 62.333 63.100 -0.138 0.000 0.788 293 P CB 0.692 32.347 31.700 -0.075 0.000 1.139 294 S N -1.663 113.804 115.700 -0.389 0.000 2.511 294 S HA 0.413 4.884 4.470 0.000 0.000 0.283 294 S C 0.630 175.021 174.600 -0.348 0.000 1.078 294 S CA -0.298 57.588 58.200 -0.524 0.000 0.994 294 S CB -0.536 61.878 63.200 -1.309 0.000 1.171 294 S HN 0.560 nan 8.310 nan 0.000 0.444 295 G N 2.048 110.817 108.800 -0.052 0.000 2.848 295 G HA2 0.310 4.271 3.960 0.000 0.000 0.208 295 G HA3 0.310 4.271 3.960 0.000 0.000 0.208 295 G C 0.896 175.885 174.900 0.148 0.000 1.152 295 G CA 0.892 46.033 45.100 0.068 0.000 0.789 295 G HN 1.607 nan 8.290 nan 0.000 0.531 296 S N -1.337 114.495 115.700 0.219 0.000 4.158 296 S HA -0.297 4.173 4.470 0.000 0.000 0.604 296 S C 0.304 175.013 174.600 0.182 0.000 1.867 296 S CA 1.518 59.929 58.200 0.351 0.000 4.249 296 S CB -1.278 62.130 63.200 0.346 0.000 0.204 296 S HN 0.901 nan 8.310 nan 0.000 0.457 297 M N 1.997 121.675 119.600 0.130 0.000 2.378 297 M HA 0.592 5.072 4.480 0.000 0.000 0.289 297 M C -1.061 175.280 176.300 0.068 0.000 1.136 297 M CA -0.632 54.720 55.300 0.087 0.000 0.917 297 M CB 1.921 34.561 32.600 0.068 0.000 1.669 297 M HN 0.651 nan 8.290 nan 0.000 0.461 298 V N 1.671 121.619 119.914 0.057 0.000 2.649 298 V HA 0.899 5.019 4.120 0.000 0.000 0.292 298 V C -0.132 175.983 176.094 0.034 0.000 1.055 298 V CA -0.136 62.192 62.300 0.046 0.000 1.023 298 V CB 0.769 32.621 31.823 0.048 0.000 0.992 298 V HN 0.936 nan 8.190 nan 0.000 0.480 299 T N -0.410 114.159 114.554 0.026 0.000 3.012 299 T HA 0.351 4.701 4.350 0.000 0.000 0.330 299 T C 0.516 175.224 174.700 0.013 0.000 1.321 299 T CA 0.066 62.177 62.100 0.019 0.000 1.067 299 T CB 1.517 70.395 68.868 0.015 0.000 1.235 299 T HN 0.507 nan 8.240 nan 0.000 0.479 300 S N 1.443 117.150 115.700 0.011 0.000 2.419 300 S HA -0.094 4.376 4.470 0.000 0.000 0.235 300 S C 1.217 175.819 174.600 0.004 0.000 1.019 300 S CA 1.941 60.146 58.200 0.009 0.000 0.982 300 S CB -0.476 62.729 63.200 0.008 0.000 0.789 300 S HN 0.891 nan 8.310 nan 0.000 0.490 301 D N 1.770 122.172 120.400 0.002 0.000 2.224 301 D HA 0.085 4.725 4.640 0.000 0.000 0.205 301 D C 2.009 178.305 176.300 -0.007 0.000 0.965 301 D CA 0.908 54.907 54.000 -0.002 0.000 0.852 301 D CB -0.164 40.635 40.800 -0.001 0.000 0.947 301 D HN 0.416 nan 8.370 nan 0.000 0.494 302 A N 0.541 123.356 122.820 -0.008 0.000 1.929 302 A HA -0.100 4.220 4.320 0.000 0.000 0.216 302 A C 1.120 178.678 177.584 -0.043 0.000 1.176 302 A CA 0.433 52.459 52.037 -0.019 0.000 0.628 302 A CB -0.235 18.762 19.000 -0.006 0.000 0.816 302 A HN 0.029 nan 8.150 nan 0.000 0.444 303 Q N -0.297 119.480 119.800 -0.038 0.000 3.002 303 Q HA -0.114 4.226 4.340 0.000 0.000 0.384 303 Q C 0.705 176.646 176.000 -0.099 0.000 1.084 303 Q CA 0.643 56.408 55.803 -0.064 0.000 1.189 303 Q CB 0.346 29.081 28.738 -0.006 0.000 1.072 303 Q HN 0.681 nan 8.270 nan 0.000 0.443 304 I N 2.433 122.854 120.570 -0.247 0.000 3.526 304 I HA 0.038 4.208 4.170 0.000 0.000 0.294 304 I C 0.257 176.335 176.117 -0.065 0.000 1.229 304 I CA 0.086 61.243 61.300 -0.239 0.000 1.408 304 I CB 0.425 38.163 38.000 -0.437 0.000 1.127 304 I HN 0.399 nan 8.210 nan 0.000 0.439 305 F N 1.555 121.572 119.950 0.112 0.000 2.390 305 F HA 0.170 4.697 4.527 0.000 0.000 0.307 305 F C 1.322 177.087 175.800 -0.058 0.000 1.227 305 F CA -0.102 57.926 58.000 0.046 0.000 1.179 305 F CB -0.051 38.952 39.000 0.004 0.000 1.280 305 F HN 0.064 nan 8.300 nan 0.000 0.548 306 N N -0.715 118.046 118.700 0.102 0.000 2.741 306 N HA -0.222 4.518 4.740 0.000 0.000 0.251 306 N C -1.394 174.030 175.510 -0.143 0.000 1.112 306 N CA 0.785 53.800 53.050 -0.058 0.000 0.750 306 N CB -0.993 37.480 38.487 -0.023 0.000 1.119 306 N HN 0.446 nan 8.380 nan 0.000 0.561 307 K N -0.298 119.941 120.400 -0.268 0.000 2.385 307 K HA 0.531 4.851 4.320 0.000 0.000 0.248 307 K C -2.818 173.334 176.600 -0.747 0.000 0.955 307 K CA -1.940 54.132 56.287 -0.359 0.000 0.816 307 K CB 2.117 34.504 32.500 -0.189 0.000 1.250 307 K HN -0.204 nan 8.250 nan 0.000 0.434 308 P HA 0.099 nan 4.420 nan 0.000 0.281 308 P C -1.376 175.270 177.300 -1.089 0.000 1.252 308 P CA 0.008 62.511 63.100 -0.996 0.000 0.778 308 P CB 0.194 31.342 31.700 -0.919 0.000 0.895 309 Y N 1.320 121.073 120.300 -0.912 0.000 2.335 309 Y HA 0.359 4.909 4.550 0.000 0.000 0.338 309 Y C -0.092 175.285 175.900 -0.871 0.000 0.977 309 Y CA -0.849 56.773 58.100 -0.798 0.000 1.114 309 Y CB 1.419 39.330 38.460 -0.915 0.000 1.182 309 Y HN 0.349 nan 8.280 nan 0.000 0.463 310 W N 5.750 127.010 121.300 -0.067 0.000 2.282 310 W HA 0.464 5.124 4.660 0.000 0.000 0.322 310 W C -0.590 175.883 176.519 -0.077 0.000 1.011 310 W CA -1.000 56.302 57.345 -0.071 0.000 1.392 310 W CB 0.897 30.357 29.460 0.000 0.000 1.215 310 W HN 0.422 nan 8.180 nan 0.000 0.394 311 L N 2.377 123.639 121.223 0.064 0.000 2.480 311 L HA 0.274 4.615 4.340 0.000 0.000 0.243 311 L C 1.602 178.542 176.870 0.117 0.000 1.315 311 L CA -0.470 54.413 54.840 0.072 0.000 1.231 311 L CB -0.183 41.887 42.059 0.018 0.000 1.444 311 L HN 0.571 nan 8.230 nan 0.000 0.409 312 Q N 0.768 120.666 119.800 0.163 0.000 1.985 312 Q HA -0.132 4.208 4.340 0.000 0.000 0.207 312 Q C 0.256 176.313 176.000 0.095 0.000 0.996 312 Q CA 1.110 56.987 55.803 0.123 0.000 0.851 312 Q CB -0.307 28.498 28.738 0.113 0.000 0.921 312 Q HN 0.556 nan 8.270 nan 0.000 0.418 313 R N 0.249 120.814 120.500 0.108 0.000 2.668 313 R HA 0.691 5.031 4.340 0.000 0.000 0.279 313 R C -0.934 175.441 176.300 0.125 0.000 0.976 313 R CA 0.212 56.369 56.100 0.095 0.000 0.978 313 R CB 1.813 32.163 30.300 0.082 0.000 1.133 313 R HN 0.460 nan 8.270 nan 0.000 0.484 314 A N 0.962 123.852 122.820 0.116 0.000 2.282 314 A HA 0.333 4.653 4.320 0.000 0.000 0.324 314 A C 0.540 178.228 177.584 0.174 0.000 1.119 314 A CA -0.535 51.607 52.037 0.176 0.000 0.880 314 A CB 1.078 20.180 19.000 0.170 0.000 1.294 314 A HN 0.797 nan 8.150 nan 0.000 0.493 315 Q N 0.102 120.043 119.800 0.235 0.000 2.049 315 Q HA 0.242 4.582 4.340 0.000 0.000 0.198 315 Q C 0.986 177.060 176.000 0.124 0.000 0.971 315 Q CA 1.844 57.757 55.803 0.184 0.000 0.833 315 Q CB -0.603 28.279 28.738 0.241 0.000 0.896 315 Q HN 0.790 nan 8.270 nan 0.000 0.434 316 G N -1.056 107.845 108.800 0.167 0.000 3.019 316 G HA2 0.261 4.222 3.960 0.000 0.000 0.152 316 G HA3 0.261 4.222 3.960 0.000 0.000 0.152 316 G C -0.116 174.830 174.900 0.076 0.000 1.320 316 G CA -0.006 45.151 45.100 0.095 0.000 1.013 316 G HN 0.361 nan 8.290 nan 0.000 0.593 317 H N -0.712 118.506 119.070 0.247 0.000 2.465 317 H HA 0.167 4.723 4.556 0.000 0.000 0.289 317 H C 0.823 176.326 175.328 0.293 0.000 1.022 317 H CA 0.044 56.248 56.048 0.260 0.000 1.340 317 H CB 0.295 30.233 29.762 0.295 0.000 1.437 317 H HN 0.177 nan 8.280 nan 0.000 0.539 318 N N 1.620 120.605 118.700 0.476 0.000 2.452 318 N HA -0.077 4.663 4.740 0.000 0.000 0.266 318 N C -0.588 175.077 175.510 0.257 0.000 1.175 318 N CA 0.131 53.440 53.050 0.430 0.000 0.945 318 N CB 0.231 39.064 38.487 0.577 0.000 1.063 318 N HN 0.201 nan 8.380 nan 0.000 0.472 319 N N 2.458 121.208 118.700 0.083 0.000 3.324 319 N HA 0.157 4.897 4.740 0.000 0.000 0.302 319 N C -0.084 175.272 175.510 -0.256 0.000 1.360 319 N CA 0.002 53.025 53.050 -0.045 0.000 1.190 319 N CB -0.486 37.996 38.487 -0.008 0.000 1.462 319 N HN 0.750 nan 8.380 nan 0.000 0.532 320 G N 1.949 110.347 108.800 -0.671 0.000 2.372 320 G HA2 -0.224 3.736 3.960 0.000 0.000 0.290 320 G HA3 -0.224 3.736 3.960 0.000 0.000 0.290 320 G C -0.115 174.521 174.900 -0.439 0.000 0.965 320 G CA -0.027 44.396 45.100 -1.129 0.000 1.263 320 G HN 0.426 nan 8.290 nan 0.000 0.498 321 I N 0.141 120.525 120.570 -0.310 0.000 2.378 321 I HA 0.205 4.375 4.170 0.000 0.000 0.291 321 I C 0.653 176.547 176.117 -0.372 0.000 0.992 321 I CA -0.663 60.373 61.300 -0.440 0.000 1.154 321 I CB 1.760 39.342 38.000 -0.696 0.000 1.315 321 I HN 0.213 nan 8.210 nan 0.000 0.448 322 C N 5.599 124.750 119.300 -0.248 0.000 2.560 322 C HA 0.210 4.670 4.460 0.000 0.000 0.506 322 C C 0.388 175.337 174.990 -0.068 0.000 1.116 322 C CA -1.055 57.945 59.018 -0.029 0.000 1.425 322 C CB -2.197 25.567 27.740 0.039 0.000 1.543 322 C HN 0.610 nan 8.230 nan 0.000 0.586 323 W N 0.809 122.186 121.300 0.127 0.000 2.274 323 W HA 0.150 4.810 4.660 0.000 0.000 0.345 323 W C 1.390 177.917 176.519 0.013 0.000 1.265 323 W CA 0.840 58.212 57.345 0.046 0.000 1.293 323 W CB 0.084 29.542 29.460 -0.003 0.000 1.175 323 W HN 0.670 nan 8.180 nan 0.000 0.577 324 S N 1.719 117.548 115.700 0.216 0.000 3.476 324 S HA -0.316 4.154 4.470 0.000 0.000 0.309 324 S C 0.208 174.848 174.600 0.067 0.000 1.222 324 S CA 0.920 59.173 58.200 0.089 0.000 0.922 324 S CB -1.812 61.438 63.200 0.082 0.000 1.023 324 S HN 0.763 nan 8.310 nan 0.000 0.591 325 N N 0.016 118.754 118.700 0.062 0.000 2.721 325 N HA -0.196 4.544 4.740 0.000 0.000 0.249 325 N C -0.170 175.313 175.510 -0.044 0.000 1.072 325 N CA 1.583 54.633 53.050 0.000 0.000 0.710 325 N CB -0.704 37.774 38.487 -0.015 0.000 0.993 325 N HN 0.775 nan 8.380 nan 0.000 0.547 326 Q N -0.536 119.272 119.800 0.013 0.000 2.528 326 Q HA 0.804 5.144 4.340 0.000 0.000 0.289 326 Q C -0.633 175.395 176.000 0.045 0.000 1.091 326 Q CA -0.666 55.127 55.803 -0.016 0.000 0.797 326 Q CB 2.465 31.234 28.738 0.051 0.000 1.466 326 Q HN 0.187 nan 8.270 nan 0.000 0.436 327 L N 1.276 122.459 121.223 -0.067 0.000 2.545 327 L HA 0.507 4.847 4.340 0.000 0.000 0.258 327 L C -1.787 175.008 176.870 -0.124 0.000 0.942 327 L CA -0.550 54.322 54.840 0.053 0.000 0.855 327 L CB 1.834 43.892 42.059 -0.001 0.000 1.374 327 L HN 0.573 nan 8.230 nan 0.000 0.411 328 F N 2.206 122.159 119.950 0.004 0.000 2.518 328 F HA 0.540 5.067 4.527 0.000 0.000 0.323 328 F C -0.102 175.739 175.800 0.069 0.000 1.129 328 F CA -0.806 57.168 58.000 -0.043 0.000 0.920 328 F CB 2.095 40.986 39.000 -0.181 0.000 1.160 328 F HN -0.111 nan 8.300 nan 0.000 0.440 329 V N 2.829 122.928 119.914 0.307 0.000 2.305 329 V HA 0.313 4.433 4.120 0.000 0.000 0.275 329 V C -0.400 175.907 176.094 0.355 0.000 1.020 329 V CA -0.732 61.785 62.300 0.362 0.000 0.811 329 V CB 1.200 33.256 31.823 0.388 0.000 1.031 329 V HN 0.796 nan 8.190 nan 0.000 0.439 330 T N 4.128 118.847 114.554 0.275 0.000 2.780 330 T HA 0.637 4.987 4.350 0.000 0.000 0.294 330 T C -0.156 174.712 174.700 0.280 0.000 0.949 330 T CA -0.378 61.859 62.100 0.227 0.000 1.074 330 T CB 1.598 70.579 68.868 0.189 0.000 0.910 330 T HN 0.302 nan 8.240 nan 0.000 0.501 331 V N 3.374 123.437 119.914 0.249 0.000 2.841 331 V HA 0.631 4.751 4.120 0.000 0.000 0.310 331 V C -0.560 175.653 176.094 0.198 0.000 1.090 331 V CA -0.804 61.670 62.300 0.291 0.000 0.930 331 V CB 2.410 34.437 31.823 0.339 0.000 1.014 331 V HN 0.747 nan 8.190 nan 0.000 0.425 332 V N 2.581 122.627 119.914 0.219 0.000 2.709 332 V HA 0.719 4.839 4.120 0.000 0.000 0.308 332 V C -1.362 174.895 176.094 0.272 0.000 1.062 332 V CA -0.433 61.915 62.300 0.080 0.000 0.901 332 V CB 2.121 33.819 31.823 -0.210 0.000 1.003 332 V HN 1.039 nan 8.190 nan 0.000 0.425 333 D N 1.913 122.459 120.400 0.244 0.000 2.452 333 D HA 0.233 4.873 4.640 0.000 0.000 0.226 333 D C 0.470 176.901 176.300 0.217 0.000 1.366 333 D CA 0.104 54.291 54.000 0.313 0.000 0.986 333 D CB 1.685 42.830 40.800 0.574 0.000 1.420 333 D HN 0.554 nan 8.370 nan 0.000 0.583 334 T N -0.329 114.328 114.554 0.172 0.000 3.144 334 T HA 0.040 4.390 4.350 0.000 0.000 0.249 334 T C 1.616 176.396 174.700 0.132 0.000 1.089 334 T CA 0.677 62.870 62.100 0.155 0.000 0.989 334 T CB -0.119 68.833 68.868 0.142 0.000 0.992 334 T HN 0.411 nan 8.240 nan 0.000 0.540 335 T N 0.066 114.700 114.554 0.134 0.000 3.055 335 T HA 0.100 4.450 4.350 0.000 0.000 0.265 335 T C 1.614 176.365 174.700 0.085 0.000 1.111 335 T CA 0.044 62.204 62.100 0.101 0.000 1.118 335 T CB -0.223 68.702 68.868 0.095 0.000 0.909 335 T HN 0.374 nan 8.240 nan 0.000 0.501 336 R N 1.541 122.102 120.500 0.101 0.000 2.586 336 R HA 0.232 4.572 4.340 0.000 0.000 0.336 336 R C 1.021 177.389 176.300 0.113 0.000 1.060 336 R CA 0.198 56.351 56.100 0.088 0.000 1.079 336 R CB 0.383 30.730 30.300 0.077 0.000 1.317 336 R HN 0.491 nan 8.270 nan 0.000 0.568 337 S N 0.269 116.025 115.700 0.094 0.000 3.048 337 S HA -0.022 4.448 4.470 0.000 0.000 0.254 337 S C 0.519 174.996 174.600 -0.205 0.000 1.084 337 S CA -0.307 57.919 58.200 0.044 0.000 1.195 337 S CB -0.636 62.623 63.200 0.099 0.000 0.870 337 S HN 0.062 nan 8.310 nan 0.000 0.483 338 T N 1.928 116.345 114.554 -0.229 0.000 2.832 338 T HA 0.279 4.629 4.350 0.000 0.000 0.296 338 T C -0.212 174.256 174.700 -0.386 0.000 0.968 338 T CA -0.762 61.207 62.100 -0.219 0.000 1.107 338 T CB 0.248 69.055 68.868 -0.102 0.000 0.916 338 T HN 0.448 nan 8.240 nan 0.000 0.517 339 N N 3.237 121.764 118.700 -0.289 0.000 2.485 339 N HA 0.340 5.080 4.740 0.000 0.000 0.243 339 N C 0.169 175.579 175.510 -0.167 0.000 0.987 339 N CA -0.590 52.295 53.050 -0.275 0.000 0.940 339 N CB 0.735 39.062 38.487 -0.267 0.000 1.122 339 N HN 0.681 nan 8.380 nan 0.000 0.509 340 M N 0.207 119.736 119.600 -0.118 0.000 2.180 340 M HA 0.429 4.909 4.480 0.000 0.000 0.358 340 M C -0.463 175.795 176.300 -0.070 0.000 1.233 340 M CA -0.525 54.733 55.300 -0.072 0.000 1.114 340 M CB 0.923 33.499 32.600 -0.038 0.000 1.594 340 M HN 0.220 nan 8.290 nan 0.000 0.467 341 S N 2.987 118.655 115.700 -0.053 0.000 2.562 341 S HA 0.669 5.139 4.470 0.000 0.000 0.275 341 S C 0.007 174.613 174.600 0.010 0.000 1.281 341 S CA -0.928 57.254 58.200 -0.030 0.000 1.045 341 S CB 1.351 64.538 63.200 -0.022 0.000 0.962 341 S HN 0.799 nan 8.310 nan 0.000 0.503 342 V N -0.653 119.293 119.914 0.054 0.000 2.487 342 V HA 0.643 4.764 4.120 0.000 0.000 0.298 342 V C -0.172 176.011 176.094 0.147 0.000 1.028 342 V CA -1.022 61.319 62.300 0.068 0.000 0.860 342 V CB 0.491 32.334 31.823 0.033 0.000 0.991 342 V HN 1.089 nan 8.190 nan 0.000 0.427 343 C N 4.489 123.863 119.300 0.124 0.000 2.319 343 C HA 0.835 5.295 4.460 0.000 0.000 0.335 343 C C 0.473 175.587 174.990 0.206 0.000 1.274 343 C CA 0.402 59.529 59.018 0.183 0.000 1.806 343 C CB 0.536 28.345 27.740 0.116 0.000 2.329 343 C HN 1.216 nan 8.230 nan 0.000 0.524 344 S N 3.613 119.472 115.700 0.265 0.000 2.526 344 S HA 0.833 5.303 4.470 0.000 0.000 0.293 344 S C -0.281 174.453 174.600 0.223 0.000 1.092 344 S CA -0.154 58.164 58.200 0.196 0.000 0.980 344 S CB 1.540 64.810 63.200 0.117 0.000 1.048 344 S HN 1.282 nan 8.310 nan 0.000 0.483 345 A N 2.702 125.596 122.820 0.123 0.000 2.264 345 A HA 0.666 4.986 4.320 0.000 0.000 0.304 345 A C 0.847 178.367 177.584 -0.107 0.000 1.100 345 A CA -0.561 51.431 52.037 -0.075 0.000 0.839 345 A CB 0.555 19.487 19.000 -0.114 0.000 1.121 345 A HN 0.869 nan 8.150 nan 0.000 0.496 346 V N 0.305 120.088 119.914 -0.218 0.000 2.825 346 V HA 0.117 4.237 4.120 0.000 0.000 0.246 346 V C 0.702 176.725 176.094 -0.117 0.000 1.068 346 V CA 1.574 63.795 62.300 -0.131 0.000 1.088 346 V CB -0.259 31.481 31.823 -0.139 0.000 0.733 346 V HN 1.071 nan 8.190 nan 0.000 0.468 347 S N -0.890 114.711 115.700 -0.164 0.000 2.626 347 S HA 0.223 4.693 4.470 0.000 0.000 0.275 347 S C 0.185 174.707 174.600 -0.130 0.000 1.175 347 S CA 0.141 58.271 58.200 -0.116 0.000 0.982 347 S CB 1.495 64.636 63.200 -0.097 0.000 1.093 347 S HN 0.299 nan 8.310 nan 0.000 0.472 348 S N 1.504 117.160 115.700 -0.073 0.000 2.701 348 S HA 0.013 4.483 4.470 0.000 0.000 0.220 348 S C 1.526 176.111 174.600 -0.025 0.000 0.954 348 S CA 0.257 58.434 58.200 -0.039 0.000 0.936 348 S CB -0.770 62.431 63.200 0.002 0.000 0.777 348 S HN 1.181 nan 8.310 nan 0.000 0.518 349 S N 1.017 116.693 115.700 -0.041 0.000 2.507 349 S HA -0.012 4.458 4.470 0.000 0.000 0.235 349 S C 0.304 174.890 174.600 -0.024 0.000 0.988 349 S CA 0.106 58.289 58.200 -0.029 0.000 0.944 349 S CB -0.388 62.793 63.200 -0.032 0.000 0.762 349 S HN 0.556 nan 8.310 nan 0.000 0.526 350 D N 1.347 121.726 120.400 -0.035 0.000 2.277 350 D HA 0.410 5.050 4.640 0.000 0.000 0.250 350 D C 0.451 176.763 176.300 0.019 0.000 1.032 350 D CA 0.008 53.994 54.000 -0.022 0.000 0.947 350 D CB 1.804 42.569 40.800 -0.059 0.000 1.159 350 D HN 0.388 nan 8.370 nan 0.000 0.460 351 S N -1.685 114.035 115.700 0.034 0.000 2.733 351 S HA 0.125 4.595 4.470 0.000 0.000 0.247 351 S C 0.317 174.963 174.600 0.077 0.000 1.043 351 S CA -0.331 57.901 58.200 0.054 0.000 1.066 351 S CB 0.482 63.704 63.200 0.036 0.000 1.045 351 S HN 0.370 nan 8.310 nan 0.000 0.586 352 T N 1.833 116.436 114.554 0.081 0.000 2.841 352 T HA 0.447 4.797 4.350 0.000 0.000 0.283 352 T C -1.368 173.423 174.700 0.152 0.000 1.000 352 T CA -0.464 61.705 62.100 0.114 0.000 0.977 352 T CB 1.249 70.164 68.868 0.078 0.000 0.979 352 T HN 0.238 nan 8.240 nan 0.000 0.446 353 Y N 3.207 123.580 120.300 0.122 0.000 2.605 353 Y HA 0.306 4.856 4.550 0.000 0.000 0.336 353 Y C 0.196 176.208 175.900 0.187 0.000 1.111 353 Y CA 0.250 58.467 58.100 0.194 0.000 1.422 353 Y CB 0.057 38.579 38.460 0.104 0.000 1.193 353 Y HN 0.454 nan 8.280 nan 0.000 0.526 354 K N 4.939 125.148 120.400 -0.319 0.000 2.482 354 K HA 0.255 4.575 4.320 0.000 0.000 0.251 354 K C 0.179 176.633 176.600 -0.244 0.000 0.936 354 K CA -0.730 55.438 56.287 -0.199 0.000 0.791 354 K CB 1.724 34.163 32.500 -0.101 0.000 1.213 354 K HN 0.619 nan 8.250 nan 0.000 0.428 355 N N 1.475 120.117 118.700 -0.097 0.000 2.058 355 N HA -0.191 4.549 4.740 0.000 0.000 0.191 355 N C 0.671 176.215 175.510 0.057 0.000 1.037 355 N CA 1.465 54.542 53.050 0.045 0.000 0.848 355 N CB 0.068 38.610 38.487 0.092 0.000 1.021 355 N HN 0.572 nan 8.380 nan 0.000 0.422 356 D N 0.432 120.832 120.400 -0.001 0.000 2.200 356 D HA -0.231 4.409 4.640 0.000 0.000 0.192 356 D C 1.178 177.421 176.300 -0.095 0.000 1.008 356 D CA 1.196 55.176 54.000 -0.033 0.000 0.872 356 D CB -0.572 40.199 40.800 -0.048 0.000 0.923 356 D HN 0.330 nan 8.370 nan 0.000 0.447 357 N N -0.913 117.651 118.700 -0.227 0.000 2.571 357 N HA -0.049 4.691 4.740 0.000 0.000 0.189 357 N C -0.732 174.294 175.510 -0.807 0.000 1.154 357 N CA 0.178 52.935 53.050 -0.489 0.000 0.907 357 N CB 0.091 38.208 38.487 -0.617 0.000 0.977 357 N HN -0.045 nan 8.380 nan 0.000 0.449 358 F N -0.600 119.300 119.950 -0.084 0.000 2.603 358 F HA 0.501 5.028 4.527 0.000 0.000 0.317 358 F C -0.132 175.678 175.800 0.018 0.000 1.066 358 F CA -1.068 56.924 58.000 -0.013 0.000 0.941 358 F CB 1.711 40.713 39.000 0.003 0.000 1.291 358 F HN -0.382 nan 8.300 nan 0.000 0.472 359 K N 1.895 122.467 120.400 0.286 0.000 2.535 359 K HA 0.285 4.605 4.320 0.000 0.000 0.253 359 K C -1.055 175.662 176.600 0.194 0.000 0.953 359 K CA -0.779 55.612 56.287 0.174 0.000 0.863 359 K CB 2.045 34.667 32.500 0.202 0.000 1.111 359 K HN 0.553 nan 8.250 nan 0.000 0.431 360 E N 2.358 122.585 120.200 0.046 0.000 2.331 360 E HA 0.200 4.550 4.350 0.000 0.000 0.272 360 E C -0.769 175.762 176.600 -0.116 0.000 1.036 360 E CA -0.037 56.394 56.400 0.053 0.000 0.864 360 E CB 0.912 30.627 29.700 0.025 0.000 1.035 360 E HN 0.347 nan 8.360 nan 0.000 0.408 361 Y N 0.511 120.813 120.300 0.003 0.000 2.512 361 Y HA 0.382 4.933 4.550 0.000 0.000 0.348 361 Y C -0.025 175.801 175.900 -0.124 0.000 0.990 361 Y CA -0.759 57.324 58.100 -0.029 0.000 1.033 361 Y CB 1.541 39.998 38.460 -0.005 0.000 1.259 361 Y HN 0.265 nan 8.280 nan 0.000 0.461 362 L N 4.127 125.259 121.223 -0.151 0.000 2.317 362 L HA 0.689 5.029 4.340 0.000 0.000 0.281 362 L C -0.485 176.158 176.870 -0.379 0.000 1.024 362 L CA -0.813 53.805 54.840 -0.370 0.000 0.810 362 L CB 1.171 42.847 42.059 -0.638 0.000 1.240 362 L HN 0.551 nan 8.230 nan 0.000 0.427 363 R N 1.685 122.046 120.500 -0.231 0.000 2.698 363 R HA 0.457 4.797 4.340 0.000 0.000 0.275 363 R C -1.464 174.823 176.300 -0.023 0.000 1.001 363 R CA -0.858 55.172 56.100 -0.117 0.000 0.896 363 R CB 2.572 32.846 30.300 -0.042 0.000 1.218 363 R HN 0.713 nan 8.270 nan 0.000 0.462 364 H N -0.315 118.705 119.070 -0.084 0.000 2.771 364 H HA 0.603 5.159 4.556 0.000 0.000 0.361 364 H C -1.051 174.287 175.328 0.016 0.000 1.108 364 H CA -0.742 55.285 56.048 -0.035 0.000 1.201 364 H CB 2.279 32.022 29.762 -0.033 0.000 1.681 364 H HN 0.787 nan 8.280 nan 0.000 0.534 365 G N 2.709 111.689 108.800 0.300 0.000 2.519 365 G HA2 0.402 4.362 3.960 0.000 0.000 0.307 365 G HA3 0.402 4.362 3.960 0.000 0.000 0.307 365 G C -1.403 173.536 174.900 0.066 0.000 1.266 365 G CA -0.522 44.636 45.100 0.096 0.000 0.970 365 G HN 0.520 nan 8.290 nan 0.000 0.481 366 E N -0.290 119.949 120.200 0.066 0.000 2.266 366 E HA 0.501 4.851 4.350 0.000 0.000 0.268 366 E C -1.114 175.597 176.600 0.185 0.000 0.879 366 E CA -0.623 55.838 56.400 0.101 0.000 0.762 366 E CB 2.205 32.031 29.700 0.209 0.000 1.199 366 E HN 0.490 nan 8.360 nan 0.000 0.422 367 E N 3.129 123.377 120.200 0.080 0.000 2.244 367 E HA 0.304 4.654 4.350 0.000 0.000 0.260 367 E C -1.308 175.255 176.600 -0.062 0.000 0.884 367 E CA -0.531 55.918 56.400 0.082 0.000 0.777 367 E CB 0.694 30.407 29.700 0.021 0.000 1.197 367 E HN 0.406 nan 8.360 nan 0.000 0.416 368 Y N 1.520 121.764 120.300 -0.094 0.000 2.567 368 Y HA 0.399 4.949 4.550 0.000 0.000 0.333 368 Y C -0.039 175.728 175.900 -0.222 0.000 1.106 368 Y CA -0.883 57.088 58.100 -0.215 0.000 1.157 368 Y CB 1.670 39.915 38.460 -0.357 0.000 1.277 368 Y HN 0.393 nan 8.280 nan 0.000 0.490 369 D N 2.111 122.454 120.400 -0.096 0.000 2.736 369 D HA 0.284 4.924 4.640 0.000 0.000 0.243 369 D C -1.777 174.372 176.300 -0.251 0.000 1.304 369 D CA -0.275 53.638 54.000 -0.144 0.000 0.934 369 D CB 1.125 41.854 40.800 -0.117 0.000 1.382 369 D HN 0.540 nan 8.370 nan 0.000 0.571 370 L N 3.847 124.896 121.223 -0.290 0.000 2.264 370 L HA 0.335 4.676 4.340 0.000 0.000 0.287 370 L C 0.517 177.087 176.870 -0.500 0.000 1.039 370 L CA -0.492 54.105 54.840 -0.405 0.000 0.829 370 L CB 1.349 43.236 42.059 -0.287 0.000 1.211 370 L HN 0.242 nan 8.230 nan 0.000 0.427 371 Q N 2.956 122.281 119.800 -0.792 0.000 2.204 371 Q HA 0.742 5.082 4.340 0.000 0.000 0.254 371 Q C -1.321 173.767 176.000 -1.521 0.000 0.981 371 Q CA -0.647 54.657 55.803 -0.832 0.000 0.897 371 Q CB 2.536 30.950 28.738 -0.540 0.000 1.273 371 Q HN 0.339 nan 8.270 nan 0.000 0.464 372 F N -0.088 119.397 119.950 -0.774 0.000 2.693 372 F HA 0.559 5.086 4.527 0.000 0.000 0.309 372 F C -0.874 174.260 175.800 -1.109 0.000 1.129 372 F CA -0.807 56.628 58.000 -0.941 0.000 0.948 372 F CB 1.735 40.146 39.000 -0.982 0.000 1.315 372 F HN 0.275 nan 8.300 nan 0.000 0.447 373 I N 2.449 122.486 120.570 -0.888 0.000 2.586 373 I HA 0.372 4.542 4.170 0.000 0.000 0.288 373 I C -1.515 174.257 176.117 -0.575 0.000 1.147 373 I CA -0.315 60.588 61.300 -0.662 0.000 1.047 373 I CB 1.761 39.440 38.000 -0.536 0.000 1.244 373 I HN 0.367 nan 8.210 nan 0.000 0.429 374 F N 3.289 123.125 119.950 -0.190 0.000 2.639 374 F HA 0.639 5.166 4.527 0.000 0.000 0.339 374 F C 0.083 175.964 175.800 0.135 0.000 1.071 374 F CA -0.797 57.199 58.000 -0.006 0.000 0.994 374 F CB 1.310 40.320 39.000 0.016 0.000 1.341 374 F HN 0.331 nan 8.300 nan 0.000 0.498 375 Q N 1.165 121.217 119.800 0.420 0.000 2.347 375 Q HA 0.549 4.890 4.340 0.000 0.000 0.271 375 Q C -1.909 174.149 176.000 0.097 0.000 1.064 375 Q CA -1.103 54.714 55.803 0.024 0.000 0.800 375 Q CB 2.626 31.267 28.738 -0.161 0.000 1.304 375 Q HN 0.732 nan 8.270 nan 0.000 0.438 376 L N 3.527 124.681 121.223 -0.114 0.000 2.290 376 L HA 0.459 4.799 4.340 0.000 0.000 0.284 376 L C -1.488 175.165 176.870 -0.361 0.000 1.078 376 L CA 0.183 54.764 54.840 -0.431 0.000 0.815 376 L CB 0.762 42.471 42.059 -0.582 0.000 1.162 376 L HN 0.769 nan 8.230 nan 0.000 0.435 377 C N 4.749 123.822 119.300 -0.378 0.000 2.507 377 C HA 0.640 5.100 4.460 0.000 0.000 0.319 377 C C -0.288 174.545 174.990 -0.261 0.000 1.208 377 C CA -0.999 57.868 59.018 -0.252 0.000 1.619 377 C CB 1.671 29.298 27.740 -0.189 0.000 2.230 377 C HN 0.894 nan 8.230 nan 0.000 0.492 378 K N 2.135 122.433 120.400 -0.169 0.000 2.156 378 K HA 0.858 5.178 4.320 0.000 0.000 0.250 378 K C -1.387 175.211 176.600 -0.003 0.000 0.955 378 K CA -0.384 55.840 56.287 -0.104 0.000 0.855 378 K CB 1.185 33.653 32.500 -0.054 0.000 1.101 378 K HN 0.661 nan 8.250 nan 0.000 0.434 379 I N 2.572 123.155 120.570 0.023 0.000 2.503 379 I HA 0.105 4.275 4.170 0.000 0.000 0.282 379 I C -0.802 175.349 176.117 0.057 0.000 1.059 379 I CA -0.840 60.524 61.300 0.106 0.000 1.081 379 I CB 2.215 40.343 38.000 0.214 0.000 1.210 379 I HN 0.709 nan 8.210 nan 0.000 0.450 380 T N 6.939 121.542 114.554 0.081 0.000 2.799 380 T HA 0.313 4.663 4.350 0.000 0.000 0.296 380 T C 0.326 175.067 174.700 0.068 0.000 0.947 380 T CA -0.189 61.944 62.100 0.054 0.000 1.141 380 T CB 0.330 69.233 68.868 0.058 0.000 0.891 380 T HN 0.302 nan 8.240 nan 0.000 0.533 381 L N 5.220 126.467 121.223 0.040 0.000 2.385 381 L HA 0.265 4.605 4.340 0.000 0.000 0.285 381 L C 1.338 178.243 176.870 0.058 0.000 1.125 381 L CA -0.635 54.247 54.840 0.071 0.000 0.890 381 L CB -0.551 41.551 42.059 0.071 0.000 1.251 381 L HN 0.763 nan 8.230 nan 0.000 0.445 382 T N -1.132 113.461 114.554 0.065 0.000 2.923 382 T HA 0.578 4.929 4.350 0.000 0.000 0.281 382 T C 1.282 176.010 174.700 0.046 0.000 0.995 382 T CA -0.136 61.992 62.100 0.047 0.000 0.985 382 T CB 1.946 70.841 68.868 0.045 0.000 1.114 382 T HN 0.392 nan 8.240 nan 0.000 0.548 383 A N 1.318 124.158 122.820 0.034 0.000 1.859 383 A HA -0.199 4.121 4.320 0.000 0.000 0.218 383 A C 1.804 179.406 177.584 0.030 0.000 1.209 383 A CA 2.588 54.642 52.037 0.029 0.000 0.639 383 A CB -1.739 17.273 19.000 0.019 0.000 0.835 383 A HN 0.997 nan 8.150 nan 0.000 0.450 384 D N -0.284 120.131 120.400 0.026 0.000 2.127 384 D HA -0.169 4.471 4.640 0.000 0.000 0.190 384 D C 1.791 178.112 176.300 0.036 0.000 1.000 384 D CA 1.932 55.947 54.000 0.025 0.000 0.839 384 D CB -0.609 40.197 40.800 0.010 0.000 0.955 384 D HN 0.229 nan 8.370 nan 0.000 0.446 385 V N 0.457 120.392 119.914 0.034 0.000 2.324 385 V HA -0.319 3.801 4.120 0.000 0.000 0.250 385 V C 2.384 178.510 176.094 0.053 0.000 1.060 385 V CA 1.766 64.086 62.300 0.032 0.000 1.042 385 V CB -0.544 31.328 31.823 0.080 0.000 0.650 385 V HN 0.277 nan 8.190 nan 0.000 0.450 386 M N -0.303 119.339 119.600 0.071 0.000 2.159 386 M HA -0.155 4.325 4.480 0.000 0.000 0.263 386 M C 2.241 178.585 176.300 0.073 0.000 1.063 386 M CA 2.063 57.411 55.300 0.081 0.000 1.110 386 M CB -0.595 32.059 32.600 0.089 0.000 1.374 386 M HN 0.469 nan 8.290 nan 0.000 0.411 387 T N -0.678 113.914 114.554 0.062 0.000 2.770 387 T HA -0.174 4.176 4.350 0.000 0.000 0.263 387 T C 1.492 176.233 174.700 0.069 0.000 1.039 387 T CA 1.147 63.279 62.100 0.054 0.000 1.142 387 T CB -0.579 68.308 68.868 0.032 0.000 0.868 387 T HN 0.343 nan 8.240 nan 0.000 0.435 388 Y N 2.239 122.499 120.300 -0.066 0.000 2.040 388 Y HA -0.232 4.319 4.550 0.000 0.000 0.275 388 Y C 2.068 177.882 175.900 -0.144 0.000 1.171 388 Y CA 1.064 59.103 58.100 -0.102 0.000 1.123 388 Y CB -0.745 37.599 38.460 -0.194 0.000 0.963 388 Y HN 0.165 nan 8.280 nan 0.000 0.493 389 I N -0.733 119.668 120.570 -0.281 0.000 2.194 389 I HA -0.413 3.757 4.170 0.000 0.000 0.246 389 I C 2.602 178.491 176.117 -0.380 0.000 1.093 389 I CA 1.768 62.807 61.300 -0.436 0.000 1.355 389 I CB -0.801 37.030 38.000 -0.282 0.000 1.046 389 I HN 0.405 nan 8.210 nan 0.000 0.413 390 H N 1.389 120.308 119.070 -0.251 0.000 2.265 390 H HA -0.172 4.384 4.556 0.000 0.000 0.295 390 H C 2.382 177.584 175.328 -0.211 0.000 1.084 390 H CA 2.299 58.230 56.048 -0.195 0.000 1.261 390 H CB 0.018 29.716 29.762 -0.108 0.000 1.360 390 H HN 0.237 nan 8.280 nan 0.000 0.487 391 S N 0.407 116.110 115.700 0.004 0.000 2.428 391 S HA -0.096 4.374 4.470 0.000 0.000 0.230 391 S C 2.313 176.855 174.600 -0.096 0.000 1.014 391 S CA 0.911 59.113 58.200 0.004 0.000 0.957 391 S CB -0.062 63.142 63.200 0.006 0.000 0.784 391 S HN 0.398 nan 8.310 nan 0.000 0.499 392 M N 1.264 120.664 119.600 -0.332 0.000 2.074 392 M HA -0.033 4.447 4.480 0.000 0.000 0.259 392 M C 0.390 176.374 176.300 -0.527 0.000 1.079 392 M CA 1.492 56.389 55.300 -0.672 0.000 1.119 392 M CB 0.083 31.995 32.600 -1.146 0.000 1.297 392 M HN 0.238 nan 8.290 nan 0.000 0.416 393 N N -1.086 117.292 118.700 -0.537 0.000 2.655 393 N HA 0.189 4.929 4.740 0.000 0.000 0.277 393 N C -2.462 172.766 175.510 -0.471 0.000 1.177 393 N CA -1.163 51.615 53.050 -0.452 0.000 0.882 393 N CB 1.694 39.883 38.487 -0.496 0.000 1.481 393 N HN -0.049 nan 8.380 nan 0.000 0.547 394 P HA -0.087 nan 4.420 nan 0.000 0.217 394 P C 1.112 178.173 177.300 -0.399 0.000 1.151 394 P CA 0.991 63.757 63.100 -0.557 0.000 0.828 394 P CB 0.347 31.693 31.700 -0.591 0.000 0.788 395 S N 0.729 116.243 115.700 -0.311 0.000 2.378 395 S HA -0.211 4.259 4.470 0.000 0.000 0.229 395 S C 2.004 176.385 174.600 -0.365 0.000 1.052 395 S CA 1.715 59.756 58.200 -0.265 0.000 1.084 395 S CB -1.364 61.711 63.200 -0.208 0.000 0.950 395 S HN 0.135 nan 8.310 nan 0.000 0.440 396 I N 1.037 121.324 120.570 -0.472 0.000 2.161 396 I HA -0.305 3.865 4.170 0.000 0.000 0.246 396 I C 2.119 177.663 176.117 -0.954 0.000 1.048 396 I CA 1.550 62.396 61.300 -0.756 0.000 1.314 396 I CB -0.453 37.063 38.000 -0.807 0.000 1.014 396 I HN 0.245 nan 8.210 nan 0.000 0.418 397 L N -0.474 120.423 121.223 -0.543 0.000 2.162 397 L HA -0.080 4.260 4.340 0.000 0.000 0.205 397 L C 2.456 179.273 176.870 -0.087 0.000 1.086 397 L CA 0.924 55.634 54.840 -0.216 0.000 0.778 397 L CB -0.345 41.670 42.059 -0.073 0.000 0.928 397 L HN 0.203 nan 8.230 nan 0.000 0.446 398 E N -0.074 120.037 120.200 -0.149 0.000 2.072 398 E HA -0.174 4.176 4.350 0.000 0.000 0.190 398 E C 1.363 177.934 176.600 -0.049 0.000 0.982 398 E CA 0.950 57.309 56.400 -0.069 0.000 0.803 398 E CB -0.063 29.584 29.700 -0.087 0.000 0.755 398 E HN 0.392 nan 8.360 nan 0.000 0.453 399 D N 0.159 120.483 120.400 -0.126 0.000 2.311 399 D HA -0.155 4.485 4.640 0.000 0.000 0.212 399 D C 0.652 176.974 176.300 0.036 0.000 0.972 399 D CA 0.682 54.631 54.000 -0.085 0.000 0.887 399 D CB -0.105 40.596 40.800 -0.165 0.000 0.915 399 D HN 0.326 nan 8.370 nan 0.000 0.497 400 W N 1.998 123.308 121.300 0.017 0.000 3.447 400 W HA 0.140 4.800 4.660 0.000 0.000 0.348 400 W C 0.240 176.773 176.519 0.024 0.000 1.220 400 W CA -0.317 57.044 57.345 0.028 0.000 1.809 400 W CB -1.233 28.252 29.460 0.042 0.000 1.040 400 W HN 0.072 nan 8.180 nan 0.000 0.735 441 L N 0.952 122.229 121.223 0.090 0.000 3.202 441 L HA 0.409 4.749 4.340 0.000 0.000 0.278 441 L C 1.833 178.673 176.870 -0.051 0.000 1.268 441 L CA -0.280 54.639 54.840 0.132 0.000 1.034 441 L CB 0.773 43.077 42.059 0.409 0.000 1.407 441 L HN -0.013 nan 8.230 nan 0.000 0.581 442 K N 1.216 121.564 120.400 -0.088 0.000 2.207 442 K HA -0.235 4.085 4.320 0.000 0.000 0.208 442 K C 1.174 177.643 176.600 -0.219 0.000 1.046 442 K CA 1.902 58.115 56.287 -0.123 0.000 0.929 442 K CB 0.150 32.589 32.500 -0.103 0.000 0.720 442 K HN 0.499 nan 8.250 nan 0.000 0.463 443 N N -0.889 117.567 118.700 -0.406 0.000 2.299 443 N HA -0.017 4.724 4.740 0.000 0.000 0.187 443 N C -0.367 174.844 175.510 -0.498 0.000 1.099 443 N CA 0.330 53.103 53.050 -0.461 0.000 0.867 443 N CB 0.355 38.498 38.487 -0.573 0.000 0.974 443 N HN 0.185 nan 8.380 nan 0.000 0.477 444 Y N 1.262 121.416 120.300 -0.244 0.000 2.334 444 Y HA 0.215 4.766 4.550 0.000 0.000 0.328 444 Y C 0.762 176.290 175.900 -0.620 0.000 1.130 444 Y CA -0.977 56.845 58.100 -0.464 0.000 1.163 444 Y CB 1.166 39.255 38.460 -0.620 0.000 1.207 444 Y HN -0.165 nan 8.280 nan 0.000 0.471 445 T N 1.120 115.443 114.554 -0.385 0.000 2.770 445 T HA 0.570 4.920 4.350 0.000 0.000 0.297 445 T C -0.797 173.732 174.700 -0.284 0.000 0.997 445 T CA -0.635 61.277 62.100 -0.313 0.000 0.949 445 T CB -0.124 68.665 68.868 -0.131 0.000 0.941 445 T HN 0.361 nan 8.240 nan 0.000 0.457 446 F N 1.050 121.059 119.950 0.098 0.000 2.541 446 F HA 0.494 5.021 4.527 0.000 0.000 0.331 446 F C 0.280 176.143 175.800 0.106 0.000 1.057 446 F CA -1.703 56.354 58.000 0.095 0.000 0.975 446 F CB 1.382 40.452 39.000 0.117 0.000 1.246 446 F HN 0.551 nan 8.300 nan 0.000 0.484 447 W N 4.328 125.681 121.300 0.088 0.000 2.430 447 W HA 0.165 4.825 4.660 0.000 0.000 0.380 447 W C -0.413 176.174 176.519 0.114 0.000 1.045 447 W CA -0.739 56.621 57.345 0.025 0.000 1.547 447 W CB -0.168 29.200 29.460 -0.154 0.000 1.554 447 W HN 0.504 nan 8.180 nan 0.000 0.378 448 E N 3.673 124.093 120.200 0.366 0.000 2.480 448 E HA 0.039 4.389 4.350 0.000 0.000 0.258 448 E C -0.486 176.313 176.600 0.332 0.000 0.984 448 E CA 0.239 56.810 56.400 0.284 0.000 0.930 448 E CB 1.499 31.296 29.700 0.162 0.000 0.936 448 E HN 0.164 nan 8.360 nan 0.000 0.466 449 V N 3.871 123.910 119.914 0.208 0.000 2.357 449 V HA 0.055 4.175 4.120 0.000 0.000 0.281 449 V C -0.141 175.991 176.094 0.063 0.000 1.015 449 V CA -0.866 61.534 62.300 0.165 0.000 0.827 449 V CB 1.661 33.556 31.823 0.120 0.000 1.018 449 V HN 0.495 nan 8.190 nan 0.000 0.432 450 D N 4.861 125.302 120.400 0.068 0.000 2.339 450 D HA 0.322 4.962 4.640 0.000 0.000 0.241 450 D C 0.365 176.685 176.300 0.033 0.000 1.183 450 D CA -0.043 53.972 54.000 0.025 0.000 0.859 450 D CB 1.457 42.277 40.800 0.034 0.000 1.067 450 D HN 0.472 nan 8.370 nan 0.000 0.484 451 L N 3.858 125.081 121.223 0.001 0.000 3.014 451 L HA 0.174 4.514 4.340 0.000 0.000 0.263 451 L C 1.851 178.710 176.870 -0.018 0.000 1.207 451 L CA -0.214 54.663 54.840 0.062 0.000 1.017 451 L CB 0.281 42.420 42.059 0.133 0.000 1.360 451 L HN 0.171 nan 8.230 nan 0.000 0.560 452 K N 0.562 120.894 120.400 -0.113 0.000 2.281 452 K HA -0.206 4.115 4.320 0.000 0.000 0.203 452 K C 1.417 177.974 176.600 -0.072 0.000 1.046 452 K CA 1.198 57.356 56.287 -0.214 0.000 0.938 452 K CB 0.169 32.588 32.500 -0.134 0.000 0.737 452 K HN 0.073 nan 8.250 nan 0.000 0.458 453 E N 0.131 120.364 120.200 0.054 0.000 2.526 453 E HA 0.046 4.397 4.350 0.000 0.000 0.208 453 E C 0.377 177.100 176.600 0.204 0.000 0.997 453 E CA 0.198 56.678 56.400 0.134 0.000 0.961 453 E CB 0.532 30.296 29.700 0.107 0.000 1.030 453 E HN -0.017 nan 8.360 nan 0.000 0.483 454 K N 0.039 120.585 120.400 0.243 0.000 2.397 454 K HA 0.143 4.463 4.320 0.000 0.000 0.202 454 K C -0.415 176.439 176.600 0.423 0.000 1.022 454 K CA -0.164 56.302 56.287 0.299 0.000 1.141 454 K CB 0.351 32.996 32.500 0.241 0.000 0.857 454 K HN 0.021 nan 8.250 nan 0.000 0.514 455 F N 1.163 121.208 119.950 0.159 0.000 2.399 455 F HA 0.209 4.736 4.527 0.000 0.000 0.342 455 F C 0.819 176.842 175.800 0.372 0.000 1.106 455 F CA -0.548 57.582 58.000 0.216 0.000 1.196 455 F CB 1.376 40.450 39.000 0.124 0.000 1.163 455 F HN -0.239 nan 8.300 nan 0.000 0.547 456 S N 1.280 117.264 115.700 0.474 0.000 2.546 456 S HA 0.704 5.174 4.470 0.000 0.000 0.274 456 S C -0.052 174.708 174.600 0.266 0.000 1.121 456 S CA -0.227 58.238 58.200 0.441 0.000 0.887 456 S CB 1.513 64.992 63.200 0.465 0.000 1.094 456 S HN 0.732 nan 8.310 nan 0.000 0.474 457 A N 2.314 125.153 122.820 0.032 0.000 2.337 457 A HA 0.304 4.624 4.320 0.000 0.000 0.227 457 A C -0.136 177.412 177.584 -0.060 0.000 1.259 457 A CA -0.074 51.748 52.037 -0.358 0.000 0.870 457 A CB -0.130 18.501 19.000 -0.615 0.000 0.927 457 A HN 0.757 nan 8.150 nan 0.000 0.497 458 D N 1.000 121.460 120.400 0.100 0.000 2.540 458 D HA 0.263 4.903 4.640 0.000 0.000 0.251 458 D C 1.039 177.465 176.300 0.210 0.000 1.159 458 D CA -0.255 53.812 54.000 0.112 0.000 0.974 458 D CB 0.841 41.681 40.800 0.066 0.000 0.996 458 D HN 0.258 nan 8.370 nan 0.000 0.512 459 L N 0.156 121.490 121.223 0.186 0.000 2.079 459 L HA -0.226 4.114 4.340 0.000 0.000 0.210 459 L C 2.165 179.200 176.870 0.274 0.000 1.081 459 L CA 1.062 56.057 54.840 0.258 0.000 0.752 459 L CB -0.312 41.866 42.059 0.198 0.000 0.896 459 L HN 0.206 nan 8.230 nan 0.000 0.433 460 D N 0.235 120.721 120.400 0.143 0.000 2.268 460 D HA -0.262 4.378 4.640 0.000 0.000 0.189 460 D C 2.119 178.418 176.300 -0.002 0.000 1.010 460 D CA 1.628 55.665 54.000 0.063 0.000 0.862 460 D CB -0.037 40.772 40.800 0.015 0.000 0.943 460 D HN 0.258 nan 8.370 nan 0.000 0.451 461 Q N -0.894 118.825 119.800 -0.134 0.000 2.443 461 Q HA -0.068 4.272 4.340 0.000 0.000 0.213 461 Q C 0.076 175.708 176.000 -0.614 0.000 0.982 461 Q CA 0.620 56.148 55.803 -0.458 0.000 0.894 461 Q CB -0.249 28.044 28.738 -0.742 0.000 0.947 461 Q HN 0.376 nan 8.270 nan 0.000 0.480 462 F N -0.128 119.738 119.950 -0.140 0.000 2.546 462 F HA 0.313 4.840 4.527 0.000 0.000 0.320 462 F C -1.482 174.307 175.800 -0.019 0.000 1.076 462 F CA -3.041 54.872 58.000 -0.145 0.000 0.928 462 F CB 0.693 39.462 39.000 -0.385 0.000 1.189 462 F HN -0.288 nan 8.300 nan 0.000 0.465 463 P HA -0.176 nan 4.420 nan 0.000 0.215 463 P C 1.991 179.373 177.300 0.137 0.000 1.157 463 P CA 1.376 64.546 63.100 0.116 0.000 0.868 463 P CB 0.635 32.372 31.700 0.062 0.000 0.788 464 L N -0.194 121.108 121.223 0.132 0.000 1.978 464 L HA -0.172 4.168 4.340 0.000 0.000 0.218 464 L C 2.609 179.626 176.870 0.244 0.000 1.075 464 L CA 2.594 57.492 54.840 0.098 0.000 0.767 464 L CB -1.478 40.527 42.059 -0.089 0.000 0.890 464 L HN 0.053 nan 8.230 nan 0.000 0.434 465 G N -1.008 107.982 108.800 0.317 0.000 2.442 465 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 465 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 465 G C 1.661 176.726 174.900 0.274 0.000 1.141 465 G CA 0.727 46.022 45.100 0.326 0.000 0.763 465 G HN 0.337 nan 8.290 nan 0.000 0.554 466 R N 0.263 120.890 120.500 0.212 0.000 2.091 466 R HA -0.071 4.269 4.340 0.000 0.000 0.238 466 R C 2.680 179.045 176.300 0.109 0.000 1.136 466 R CA 1.723 57.901 56.100 0.129 0.000 0.959 466 R CB -0.161 30.190 30.300 0.084 0.000 0.856 466 R HN 0.315 nan 8.270 nan 0.000 0.437 467 K N -0.522 119.976 120.400 0.164 0.000 2.026 467 K HA -0.184 4.136 4.320 0.000 0.000 0.208 467 K C 1.848 178.513 176.600 0.108 0.000 1.048 467 K CA 1.666 58.063 56.287 0.185 0.000 0.929 467 K CB -0.347 32.354 32.500 0.334 0.000 0.713 467 K HN 0.110 nan 8.250 nan 0.000 0.439 468 F N 1.979 121.951 119.950 0.036 0.000 2.095 468 F HA -0.190 4.337 4.527 0.000 0.000 0.298 468 F C 1.661 177.245 175.800 -0.360 0.000 1.104 468 F CA 1.382 59.184 58.000 -0.329 0.000 1.232 468 F CB -0.403 38.487 39.000 -0.182 0.000 0.987 468 F HN -0.115 nan 8.300 nan 0.000 0.475 469 L N -0.324 120.714 121.223 -0.307 0.000 2.089 469 L HA -0.241 4.099 4.340 0.000 0.000 0.213 469 L C 2.390 178.996 176.870 -0.440 0.000 1.079 469 L CA 1.394 55.988 54.840 -0.409 0.000 0.758 469 L CB -0.913 41.088 42.059 -0.097 0.000 0.891 469 L HN 0.377 nan 8.230 nan 0.000 0.433 470 L N -1.017 120.023 121.223 -0.304 0.000 2.121 470 L HA -0.109 4.231 4.340 0.000 0.000 0.200 470 L C 2.539 179.236 176.870 -0.288 0.000 1.077 470 L CA 1.493 56.202 54.840 -0.219 0.000 0.766 470 L CB -1.009 40.983 42.059 -0.111 0.000 0.931 470 L HN 0.196 nan 8.230 nan 0.000 0.452 471 Q N 0.659 120.263 119.800 -0.326 0.000 2.062 471 Q HA -0.259 4.081 4.340 0.000 0.000 0.209 471 Q C 1.902 177.570 176.000 -0.554 0.000 0.996 471 Q CA 2.604 58.163 55.803 -0.407 0.000 0.859 471 Q CB -0.569 27.869 28.738 -0.500 0.000 0.920 471 Q HN 0.631 nan 8.270 nan 0.000 0.415 472 A N -0.417 121.899 122.820 -0.840 0.000 2.216 472 A HA 0.201 4.521 4.320 0.000 0.000 0.214 472 A C 1.465 178.741 177.584 -0.513 0.000 1.160 472 A CA 1.729 53.284 52.037 -0.803 0.000 0.725 472 A CB -0.702 17.504 19.000 -1.323 0.000 0.784 472 A HN 0.770 nan 8.150 nan 0.000 0.472 473 G N -0.453 108.096 108.800 -0.417 0.000 3.127 473 G HA2 -0.292 3.668 3.960 0.000 0.000 0.280 473 G HA3 -0.292 3.668 3.960 0.000 0.000 0.280 473 G C 0.408 175.160 174.900 -0.246 0.000 1.491 473 G CA 0.261 45.201 45.100 -0.267 0.000 1.029 473 G HN 1.319 nan 8.290 nan 0.000 0.582 474 L N 0.000 121.097 121.223 -0.210 0.000 2.949 474 L HA 0.000 4.340 4.340 0.000 0.000 0.249 474 L CA 0.000 54.749 54.840 -0.151 0.000 0.813 474 L CB 0.000 42.004 42.059 -0.091 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502