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 3hp0_1_F DATA FIRST_RESID 5 DATA SEQUENCE TYQTIKVRFQ ASVCYITFHR PEANNTINDT LIEECLQVLN QCETSTVTVV DATA SEQUENCE VLEGLPEVFC FGADFQEIYQ EXKRGRKQAS SQEPLYDLWX KLQTGPYVTI DATA SEQUENCE SHVRGKVNAG GLGFVSATDI AIADQTASFS LSELLFGLYP ACVLPFLIRR DATA SEQUENCE IGRQKAHYXT LXTKPISVQE ASEWGLIDAF DAESDVLLRK HLLRLRRLNK DATA SEQUENCE KGIAHYKQFX SSLDHQVSRA KATALTANQD XFSDPQNQXG IIRYVETGQF DATA SEQUENCE P 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.385 174.700 -0.525 0.000 1.109 5 T CA 0.000 61.957 62.100 -0.238 0.000 1.349 5 T CB 0.000 68.719 68.868 -0.248 0.000 0.612 6 Y N 0.718 121.035 120.300 0.028 0.000 3.253 6 Y HA 0.678 5.228 4.550 -0.000 0.000 0.267 6 Y C 1.599 177.514 175.900 0.025 0.000 2.071 6 Y CA -0.361 57.757 58.100 0.030 0.000 0.845 6 Y CB 0.465 38.947 38.460 0.037 0.000 1.446 6 Y HN 0.018 nan 8.280 nan 0.000 0.587 7 Q N -1.541 118.402 119.800 0.240 0.000 1.275 7 Q HA -0.043 4.297 4.340 -0.000 0.000 0.133 7 Q C 0.401 176.464 176.000 0.104 0.000 0.604 7 Q CA 0.867 56.745 55.803 0.125 0.000 0.612 7 Q CB -0.203 28.588 28.738 0.088 0.000 1.072 7 Q HN 0.741 nan 8.270 nan 0.000 0.327 8 T N -1.052 113.576 114.554 0.124 0.000 2.955 8 T HA 0.416 4.766 4.350 -0.000 0.000 0.251 8 T C 0.772 175.537 174.700 0.109 0.000 1.002 8 T CA 0.331 62.486 62.100 0.092 0.000 0.970 8 T CB 0.087 69.000 68.868 0.075 0.000 1.091 8 T HN 0.406 nan 8.240 nan 0.000 0.495 9 I N -2.048 118.564 120.570 0.070 0.000 2.969 9 I HA 0.763 4.933 4.170 -0.000 0.000 0.307 9 I C -1.680 174.386 176.117 -0.085 0.000 1.149 9 I CA -1.546 59.739 61.300 -0.024 0.000 1.008 9 I CB 2.283 40.206 38.000 -0.128 0.000 1.232 9 I HN -0.347 nan 8.210 nan 0.000 0.435 10 K N 3.748 124.079 120.400 -0.115 0.000 2.274 10 K HA 0.634 4.954 4.320 -0.000 0.000 0.262 10 K C -1.092 175.420 176.600 -0.146 0.000 0.961 10 K CA -0.715 55.527 56.287 -0.075 0.000 0.833 10 K CB 2.473 34.943 32.500 -0.050 0.000 1.102 10 K HN 0.549 nan 8.250 nan 0.000 0.436 11 V N 4.111 123.967 119.914 -0.096 0.000 2.448 11 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 11 V C -0.169 175.924 176.094 -0.002 0.000 1.025 11 V CA -0.979 61.246 62.300 -0.125 0.000 0.859 11 V CB 1.580 33.328 31.823 -0.125 0.000 0.988 11 V HN 0.773 nan 8.190 nan 0.000 0.431 12 R N 3.278 123.732 120.500 -0.077 0.000 2.604 12 R HA 0.720 5.060 4.340 -0.000 0.000 0.281 12 R C -2.042 174.266 176.300 0.014 0.000 1.020 12 R CA -0.636 55.501 56.100 0.062 0.000 0.899 12 R CB 1.542 31.848 30.300 0.010 0.000 1.205 12 R HN 0.367 nan 8.270 nan 0.000 0.450 13 F N 1.108 121.112 119.950 0.090 0.000 2.450 13 F HA 0.452 4.979 4.527 -0.000 0.000 0.332 13 F C 0.189 176.054 175.800 0.109 0.000 1.093 13 F CA -0.680 57.384 58.000 0.106 0.000 1.003 13 F CB 2.237 41.272 39.000 0.058 0.000 1.151 13 F HN 0.506 nan 8.300 nan 0.000 0.474 14 Q N 2.236 122.221 119.800 0.309 0.000 2.294 14 Q HA 0.545 4.885 4.340 -0.000 0.000 0.264 14 Q C 0.132 176.242 176.000 0.182 0.000 0.992 14 Q CA -0.005 55.928 55.803 0.216 0.000 0.747 14 Q CB 1.704 30.569 28.738 0.212 0.000 1.262 14 Q HN 0.969 nan 8.270 nan 0.000 0.452 15 A N 2.524 125.426 122.820 0.138 0.000 5.093 15 A HA -0.315 4.005 4.320 -0.000 0.000 0.329 15 A C 1.005 178.659 177.584 0.118 0.000 1.836 15 A CA 1.897 53.997 52.037 0.105 0.000 0.707 15 A CB -2.093 16.959 19.000 0.087 0.000 1.389 15 A HN 0.836 nan 8.150 nan 0.000 0.383 16 S N -1.152 114.608 115.700 0.100 0.000 2.539 16 S HA 0.488 4.958 4.470 -0.000 0.000 0.221 16 S C 0.111 174.754 174.600 0.072 0.000 0.987 16 S CA 0.761 59.017 58.200 0.094 0.000 0.929 16 S CB -0.405 62.838 63.200 0.071 0.000 0.832 16 S HN 1.154 nan 8.310 nan 0.000 0.492 17 V N 1.251 121.198 119.914 0.056 0.000 2.630 17 V HA 0.522 4.642 4.120 -0.000 0.000 0.305 17 V C -0.100 175.916 176.094 -0.130 0.000 1.046 17 V CA -1.083 61.166 62.300 -0.084 0.000 0.934 17 V CB 1.240 32.961 31.823 -0.170 0.000 1.003 17 V HN 0.395 nan 8.190 nan 0.000 0.451 18 C N 5.159 124.240 119.300 -0.364 0.000 2.344 18 C HA 0.659 5.119 4.460 -0.000 0.000 0.326 18 C C -0.841 173.824 174.990 -0.541 0.000 1.201 18 C CA -0.728 57.948 59.018 -0.570 0.000 1.410 18 C CB -0.646 26.674 27.740 -0.700 0.000 2.070 18 C HN 0.752 nan 8.230 nan 0.000 0.445 19 Y N 5.772 125.831 120.300 -0.402 0.000 2.327 19 Y HA 0.608 5.158 4.550 -0.000 0.000 0.336 19 Y C 0.657 176.337 175.900 -0.366 0.000 1.035 19 Y CA -0.495 57.421 58.100 -0.308 0.000 1.165 19 Y CB 0.680 39.016 38.460 -0.206 0.000 1.181 19 Y HN 0.501 nan 8.280 nan 0.000 0.494 20 I N 3.548 123.957 120.570 -0.269 0.000 2.378 20 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 20 I C -0.520 175.310 176.117 -0.479 0.000 0.992 20 I CA -0.423 60.644 61.300 -0.389 0.000 1.154 20 I CB 1.648 39.374 38.000 -0.457 0.000 1.315 20 I HN 0.549 nan 8.210 nan 0.000 0.448 21 T N 5.988 120.298 114.554 -0.407 0.000 2.812 21 T HA 0.512 4.862 4.350 -0.000 0.000 0.282 21 T C -0.380 174.135 174.700 -0.308 0.000 0.990 21 T CA -0.413 61.459 62.100 -0.380 0.000 0.960 21 T CB 0.734 69.490 68.868 -0.187 0.000 0.948 21 T HN 0.043 nan 8.240 nan 0.000 0.438 22 F N 1.429 121.292 119.950 -0.145 0.000 2.389 22 F HA 0.528 5.055 4.527 0.000 0.000 0.337 22 F C 1.461 177.207 175.800 -0.092 0.000 1.112 22 F CA -0.574 57.344 58.000 -0.135 0.000 1.192 22 F CB 0.204 39.101 39.000 -0.172 0.000 1.185 22 F HN 0.820 nan 8.300 nan 0.000 0.552 23 H N -0.194 118.959 119.070 0.140 0.000 2.895 23 H HA 0.707 5.263 4.556 -0.000 0.000 0.282 23 H C -0.326 175.026 175.328 0.040 0.000 1.338 23 H CA -0.561 55.523 56.048 0.061 0.000 1.595 23 H CB 0.389 30.173 29.762 0.037 0.000 1.771 23 H HN 0.881 nan 8.280 nan 0.000 0.573 24 R N 1.276 121.791 120.500 0.024 0.000 2.718 24 R HA 0.693 5.033 4.340 -0.000 0.000 0.307 24 R C -1.687 174.612 176.300 -0.002 0.000 1.244 24 R CA -0.015 56.087 56.100 0.004 0.000 1.348 24 R CB -0.504 29.788 30.300 -0.015 0.000 1.304 24 R HN 0.733 nan 8.270 nan 0.000 0.663 25 P HA -0.135 nan 4.420 nan 0.000 0.220 25 P C 1.401 178.697 177.300 -0.006 0.000 1.144 25 P CA 2.327 65.425 63.100 -0.004 0.000 0.800 25 P CB 0.148 31.846 31.700 -0.004 0.000 0.772 26 E N -1.493 118.704 120.200 -0.005 0.000 2.190 26 E HA 0.409 4.759 4.350 -0.000 0.000 0.191 26 E C 1.861 178.456 176.600 -0.009 0.000 0.978 26 E CA 1.048 57.444 56.400 -0.006 0.000 0.839 26 E CB -0.610 29.088 29.700 -0.004 0.000 0.787 26 E HN 0.566 nan 8.360 nan 0.000 0.473 27 A N -0.527 122.287 122.820 -0.011 0.000 2.379 27 A HA 0.453 4.773 4.320 -0.000 0.000 0.236 27 A C 1.377 178.950 177.584 -0.018 0.000 1.272 27 A CA 1.167 53.194 52.037 -0.016 0.000 0.886 27 A CB -1.502 17.487 19.000 -0.019 0.000 0.962 27 A HN 1.511 nan 8.150 nan 0.000 0.504 28 N N -1.102 117.589 118.700 -0.015 0.000 2.671 28 N HA 0.077 4.817 4.740 -0.000 0.000 0.261 28 N C 0.641 176.138 175.510 -0.022 0.000 1.053 28 N CA 1.483 54.523 53.050 -0.016 0.000 0.732 28 N CB -2.677 35.802 38.487 -0.013 0.000 0.887 28 N HN 2.328 nan 8.380 nan 0.000 0.546 29 N N -2.388 116.297 118.700 -0.026 0.000 2.700 29 N HA 0.330 5.070 4.740 -0.000 0.000 0.265 29 N C 0.857 176.324 175.510 -0.072 0.000 0.975 29 N CA 2.204 55.224 53.050 -0.051 0.000 0.800 29 N CB -1.941 36.527 38.487 -0.031 0.000 0.908 29 N HN 2.605 nan 8.380 nan 0.000 0.551 30 T N -0.736 113.781 114.554 -0.062 0.000 2.733 30 T HA 0.850 5.200 4.350 -0.000 0.000 0.294 30 T C 1.206 175.865 174.700 -0.068 0.000 0.956 30 T CA 0.171 62.242 62.100 -0.048 0.000 0.987 30 T CB -0.120 68.727 68.868 -0.035 0.000 0.920 30 T HN 2.055 nan 8.240 nan 0.000 0.470 31 I N 1.382 121.924 120.570 -0.046 0.000 2.828 31 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 31 I C 0.609 176.688 176.117 -0.065 0.000 1.206 31 I CA 0.096 61.370 61.300 -0.044 0.000 1.420 31 I CB -1.419 36.599 38.000 0.030 0.000 1.368 31 I HN 1.214 nan 8.210 nan 0.000 0.556 32 N N 3.161 121.819 118.700 -0.070 0.000 2.599 32 N HA 0.699 5.439 4.740 -0.000 0.000 0.283 32 N C 0.559 176.036 175.510 -0.055 0.000 1.160 32 N CA 0.820 53.830 53.050 -0.066 0.000 0.869 32 N CB 0.642 39.096 38.487 -0.055 0.000 1.448 32 N HN 2.236 nan 8.380 nan 0.000 0.535 33 D N -0.181 120.178 120.400 -0.067 0.000 3.950 33 D HA -0.401 4.239 4.640 -0.000 0.000 0.421 33 D C 1.877 178.162 176.300 -0.025 0.000 0.630 33 D CA 3.489 57.457 54.000 -0.053 0.000 1.436 33 D CB -2.021 38.750 40.800 -0.048 0.000 0.636 33 D HN 0.995 nan 8.370 nan 0.000 0.381 34 T N 0.507 115.055 114.554 -0.010 0.000 2.699 34 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 34 T C 2.154 176.876 174.700 0.036 0.000 1.036 34 T CA 1.974 64.085 62.100 0.018 0.000 1.147 34 T CB -0.399 68.483 68.868 0.023 0.000 0.862 34 T HN 0.583 nan 8.240 nan 0.000 0.446 35 L N 1.079 122.312 121.223 0.017 0.000 2.013 35 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 35 L C 2.272 179.177 176.870 0.058 0.000 1.073 35 L CA 1.950 56.806 54.840 0.026 0.000 0.753 35 L CB -1.025 41.008 42.059 -0.044 0.000 0.890 35 L HN 0.350 nan 8.230 nan 0.000 0.432 36 I N 0.029 120.616 120.570 0.029 0.000 2.127 36 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 36 I C 2.533 178.680 176.117 0.049 0.000 1.075 36 I CA 1.594 62.911 61.300 0.029 0.000 1.334 36 I CB -0.330 37.638 38.000 -0.053 0.000 1.040 36 I HN 0.298 nan 8.210 nan 0.000 0.405 37 E N 1.437 121.661 120.200 0.041 0.000 2.097 37 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 37 E C 1.970 178.631 176.600 0.101 0.000 1.000 37 E CA 1.740 58.174 56.400 0.057 0.000 0.804 37 E CB -0.071 29.657 29.700 0.047 0.000 0.740 37 E HN 0.488 nan 8.360 nan 0.000 0.454 38 E N -0.688 119.589 120.200 0.129 0.000 2.106 38 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 38 E C 2.383 179.047 176.600 0.107 0.000 0.984 38 E CA 1.044 57.561 56.400 0.195 0.000 0.806 38 E CB -0.273 29.574 29.700 0.244 0.000 0.750 38 E HN 0.343 nan 8.360 nan 0.000 0.458 39 C N 1.098 120.451 119.300 0.088 0.000 2.429 39 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 39 C C 2.654 177.696 174.990 0.086 0.000 1.262 39 C CA 0.503 59.571 59.018 0.083 0.000 1.733 39 C CB -0.930 26.925 27.740 0.191 0.000 2.010 39 C HN 0.388 nan 8.230 nan 0.000 0.483 40 L N 0.306 121.589 121.223 0.099 0.000 2.083 40 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 40 L C 2.740 179.672 176.870 0.103 0.000 1.083 40 L CA 1.525 56.423 54.840 0.097 0.000 0.752 40 L CB -0.851 41.255 42.059 0.078 0.000 0.899 40 L HN 0.496 nan 8.230 nan 0.000 0.433 41 Q N 0.049 119.919 119.800 0.118 0.000 2.050 41 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 41 Q C 2.370 178.462 176.000 0.152 0.000 0.980 41 Q CA 2.404 58.293 55.803 0.144 0.000 0.840 41 Q CB -0.079 28.781 28.738 0.203 0.000 0.898 41 Q HN 0.469 nan 8.270 nan 0.000 0.424 42 V N -0.570 119.422 119.914 0.131 0.000 2.427 42 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 42 V C 2.046 178.184 176.094 0.072 0.000 1.051 42 V CA 1.418 63.786 62.300 0.114 0.000 1.048 42 V CB -0.476 31.340 31.823 -0.012 0.000 0.666 42 V HN 0.400 nan 8.190 nan 0.000 0.456 43 L N 0.537 121.784 121.223 0.041 0.000 2.046 43 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 43 L C 2.632 179.590 176.870 0.147 0.000 1.077 43 L CA 2.288 57.154 54.840 0.044 0.000 0.747 43 L CB -0.881 41.242 42.059 0.106 0.000 0.896 43 L HN 0.416 nan 8.230 nan 0.000 0.432 44 N N -0.331 118.451 118.700 0.137 0.000 2.205 44 N HA -0.246 4.494 4.740 -0.000 0.000 0.186 44 N C 1.838 177.430 175.510 0.136 0.000 1.015 44 N CA 1.097 54.228 53.050 0.134 0.000 0.862 44 N CB 0.005 38.557 38.487 0.107 0.000 0.986 44 N HN 0.320 nan 8.380 nan 0.000 0.429 45 Q N -0.757 119.127 119.800 0.140 0.000 2.137 45 Q HA -0.031 4.309 4.340 -0.000 0.000 0.198 45 Q C 1.453 177.551 176.000 0.164 0.000 0.960 45 Q CA 1.001 56.890 55.803 0.143 0.000 0.847 45 Q CB -0.101 28.741 28.738 0.173 0.000 0.915 45 Q HN 0.435 nan 8.270 nan 0.000 0.448 46 C N 1.483 120.884 119.300 0.168 0.000 2.449 46 C HA 0.003 4.462 4.460 -0.000 0.000 0.283 46 C C 2.280 177.437 174.990 0.279 0.000 1.453 46 C CA 0.108 59.224 59.018 0.163 0.000 1.779 46 C CB -0.830 26.852 27.740 -0.097 0.000 1.779 46 C HN 0.542 nan 8.230 nan 0.000 0.546 47 E N 1.108 121.477 120.200 0.281 0.000 2.110 47 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 47 E C 2.165 178.861 176.600 0.160 0.000 0.988 47 E CA 2.086 58.639 56.400 0.256 0.000 0.804 47 E CB 0.032 29.841 29.700 0.182 0.000 0.745 47 E HN 0.803 nan 8.360 nan 0.000 0.458 48 T N -2.865 111.767 114.554 0.131 0.000 2.990 48 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 48 T C 1.342 176.097 174.700 0.091 0.000 1.041 48 T CA -0.196 61.960 62.100 0.094 0.000 1.010 48 T CB 0.402 69.311 68.868 0.070 0.000 1.003 48 T HN -0.159 nan 8.240 nan 0.000 0.499 49 S N 2.688 118.453 115.700 0.108 0.000 2.680 49 S HA 0.169 4.639 4.470 -0.000 0.000 0.249 49 S C 1.692 176.351 174.600 0.099 0.000 1.358 49 S CA 0.541 58.796 58.200 0.092 0.000 0.963 49 S CB 0.139 63.409 63.200 0.116 0.000 0.984 49 S HN 0.719 nan 8.310 nan 0.000 0.584 50 T N -1.656 112.950 114.554 0.088 0.000 3.086 50 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 50 T C 0.396 175.163 174.700 0.111 0.000 1.074 50 T CA -0.239 61.913 62.100 0.086 0.000 0.988 50 T CB -0.422 68.483 68.868 0.063 0.000 0.988 50 T HN 0.210 nan 8.240 nan 0.000 0.530 51 V N 3.515 123.514 119.914 0.142 0.000 2.740 51 V HA 0.262 4.382 4.120 -0.000 0.000 0.303 51 V C 1.597 177.781 176.094 0.150 0.000 1.054 51 V CA 0.829 63.215 62.300 0.143 0.000 1.106 51 V CB 0.855 32.767 31.823 0.148 0.000 0.957 51 V HN 0.724 nan 8.190 nan 0.000 0.486 52 T N 0.073 114.699 114.554 0.119 0.000 3.087 52 T HA 0.349 4.699 4.350 -0.000 0.000 0.283 52 T C -0.224 174.554 174.700 0.130 0.000 0.956 52 T CA -0.134 62.055 62.100 0.148 0.000 0.894 52 T CB 0.344 69.278 68.868 0.110 0.000 1.160 52 T HN 0.317 nan 8.240 nan 0.000 0.532 53 V N 1.535 121.471 119.914 0.038 0.000 2.655 53 V HA 0.552 4.672 4.120 -0.000 0.000 0.301 53 V C -1.042 174.937 176.094 -0.191 0.000 1.082 53 V CA -0.922 61.355 62.300 -0.038 0.000 0.899 53 V CB 2.228 34.013 31.823 -0.063 0.000 1.014 53 V HN 0.189 nan 8.190 nan 0.000 0.429 54 V N 5.503 125.279 119.914 -0.229 0.000 2.384 54 V HA 0.518 4.638 4.120 -0.000 0.000 0.287 54 V C -0.159 175.757 176.094 -0.297 0.000 1.020 54 V CA -0.558 61.533 62.300 -0.348 0.000 0.850 54 V CB 1.954 33.514 31.823 -0.438 0.000 0.987 54 V HN 0.622 nan 8.190 nan 0.000 0.436 55 V N 6.345 126.013 119.914 -0.410 0.000 2.472 55 V HA 0.479 4.599 4.120 -0.000 0.000 0.290 55 V C -0.402 175.533 176.094 -0.264 0.000 1.037 55 V CA -0.678 61.423 62.300 -0.330 0.000 0.908 55 V CB 1.724 33.260 31.823 -0.478 0.000 0.985 55 V HN 0.522 nan 8.190 nan 0.000 0.454 56 L N 5.115 126.223 121.223 -0.192 0.000 2.305 56 L HA 0.610 4.950 4.340 -0.000 0.000 0.284 56 L C 0.135 176.869 176.870 -0.226 0.000 1.013 56 L CA 0.253 54.919 54.840 -0.291 0.000 0.819 56 L CB 1.212 43.136 42.059 -0.224 0.000 1.227 56 L HN 0.770 nan 8.230 nan 0.000 0.417 57 E N 1.019 121.015 120.200 -0.340 0.000 2.447 57 E HA 0.844 5.194 4.350 -0.000 0.000 0.258 57 E C 0.047 176.478 176.600 -0.282 0.000 0.916 57 E CA -0.371 55.892 56.400 -0.228 0.000 0.846 57 E CB 2.097 31.733 29.700 -0.107 0.000 1.517 57 E HN 0.537 nan 8.360 nan 0.000 0.418 58 G N -1.133 107.566 108.800 -0.169 0.000 3.675 58 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.206 58 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.206 58 G C 1.305 176.158 174.900 -0.078 0.000 1.086 58 G CA 0.397 45.448 45.100 -0.082 0.000 0.894 58 G HN 0.915 nan 8.290 nan 0.000 0.412 59 L N 0.774 121.932 121.223 -0.109 0.000 3.637 59 L HA 0.176 4.516 4.340 -0.000 0.000 0.119 59 L C 1.531 178.346 176.870 -0.091 0.000 3.802 59 L CA 5.885 60.647 54.840 -0.129 0.000 1.267 59 L CB -2.459 39.455 42.059 -0.241 0.000 3.122 59 L HN 2.317 nan 8.230 nan 0.000 0.622 60 P HA -0.098 nan 4.420 nan 0.000 0.291 60 P C 0.966 178.229 177.300 -0.061 0.000 0.859 60 P CA 4.251 67.311 63.100 -0.067 0.000 0.895 60 P CB -1.628 30.043 31.700 -0.049 0.000 0.968 61 E N -1.477 118.692 120.200 -0.050 0.000 2.476 61 E HA 0.576 4.926 4.350 -0.000 0.000 0.199 61 E C 0.845 177.410 176.600 -0.058 0.000 1.021 61 E CA 1.805 58.175 56.400 -0.050 0.000 0.907 61 E CB 0.719 30.397 29.700 -0.037 0.000 0.974 61 E HN 2.010 nan 8.360 nan 0.000 0.489 62 V N -1.983 117.898 119.914 -0.056 0.000 2.766 62 V HA 0.529 4.649 4.120 -0.000 0.000 0.286 62 V C 0.946 177.019 176.094 -0.036 0.000 1.237 62 V CA -0.243 62.023 62.300 -0.056 0.000 0.934 62 V CB -0.175 31.624 31.823 -0.041 0.000 1.068 62 V HN 0.561 nan 8.190 nan 0.000 0.451 63 F N 1.131 121.056 119.950 -0.042 0.000 2.095 63 F HA 0.307 4.834 4.527 -0.000 0.000 0.298 63 F C 1.442 177.269 175.800 0.046 0.000 1.104 63 F CA 1.861 59.865 58.000 0.006 0.000 1.232 63 F CB -0.450 38.557 39.000 0.012 0.000 0.987 63 F HN 2.380 nan 8.300 nan 0.000 0.475 64 C N -1.936 117.378 119.300 0.024 0.000 3.158 64 C HA 0.607 5.067 4.460 -0.000 0.000 0.428 64 C C 1.150 176.161 174.990 0.035 0.000 0.985 64 C CA -0.798 58.232 59.018 0.019 0.000 1.240 64 C CB -0.943 26.813 27.740 0.026 0.000 1.615 64 C HN 1.675 nan 8.230 nan 0.000 0.570 65 F N 1.781 121.740 119.950 0.016 0.000 2.031 65 F HA 0.502 5.029 4.527 -0.000 0.000 0.295 65 F C 1.677 177.510 175.800 0.055 0.000 1.133 65 F CA 2.857 60.870 58.000 0.023 0.000 1.188 65 F CB -0.632 38.372 39.000 0.008 0.000 0.974 65 F HN 2.351 nan 8.300 nan 0.000 0.473 66 G N -2.052 106.781 108.800 0.054 0.000 2.564 66 G HA2 0.560 4.520 3.960 -0.000 0.000 0.139 66 G HA3 0.560 4.520 3.960 -0.000 0.000 0.139 66 G C 0.359 175.290 174.900 0.052 0.000 1.147 66 G CA 0.064 45.216 45.100 0.087 0.000 1.031 66 G HN 1.559 nan 8.290 nan 0.000 0.482 67 A N -0.815 122.031 122.820 0.043 0.000 2.227 67 A HA 0.572 4.892 4.320 -0.000 0.000 0.279 67 A C 0.620 178.190 177.584 -0.022 0.000 1.367 67 A CA 1.559 53.593 52.037 -0.005 0.000 0.824 67 A CB -0.660 18.332 19.000 -0.013 0.000 1.214 67 A HN 2.187 nan 8.150 nan 0.000 0.514 68 D N -3.542 116.831 120.400 -0.045 0.000 2.542 68 D HA 0.516 5.156 4.640 -0.000 0.000 0.252 68 D C 0.052 176.323 176.300 -0.047 0.000 1.222 68 D CA 0.095 54.068 54.000 -0.044 0.000 0.895 68 D CB 0.205 40.976 40.800 -0.047 0.000 1.207 68 D HN 1.379 nan 8.370 nan 0.000 0.558 69 F N -0.430 119.493 119.950 -0.046 0.000 2.367 69 F HA 0.339 4.866 4.527 -0.000 0.000 0.298 69 F C 2.725 178.502 175.800 -0.039 0.000 1.094 69 F CA 1.765 59.735 58.000 -0.051 0.000 1.409 69 F CB -1.152 37.799 39.000 -0.082 0.000 1.064 69 F HN 0.768 nan 8.300 nan 0.000 0.528 70 Q N 0.420 120.200 119.800 -0.035 0.000 2.167 70 Q HA 0.009 4.349 4.340 -0.000 0.000 0.202 70 Q C 1.708 177.691 176.000 -0.027 0.000 0.970 70 Q CA 2.294 58.081 55.803 -0.026 0.000 0.855 70 Q CB -1.551 27.173 28.738 -0.023 0.000 0.911 70 Q HN 0.970 nan 8.270 nan 0.000 0.438 71 E N -0.857 119.321 120.200 -0.036 0.000 2.452 71 E HA 0.461 4.811 4.350 -0.000 0.000 0.197 71 E C 1.926 178.498 176.600 -0.046 0.000 1.022 71 E CA 0.880 57.257 56.400 -0.040 0.000 0.890 71 E CB -0.526 29.145 29.700 -0.047 0.000 0.918 71 E HN 1.162 nan 8.360 nan 0.000 0.496 72 I N -0.804 119.739 120.570 -0.045 0.000 3.030 72 I HA 0.323 4.493 4.170 -0.000 0.000 0.270 72 I C 2.689 178.793 176.117 -0.022 0.000 1.211 72 I CA 1.536 62.809 61.300 -0.044 0.000 1.479 72 I CB -1.697 36.282 38.000 -0.036 0.000 1.105 72 I HN 0.729 nan 8.210 nan 0.000 0.447 73 Y N -0.356 119.934 120.300 -0.018 0.000 2.286 73 Y HA 0.146 4.696 4.550 -0.000 0.000 0.293 73 Y C 2.585 178.478 175.900 -0.010 0.000 1.124 73 Y CA 2.265 60.359 58.100 -0.009 0.000 1.178 73 Y CB -1.129 37.326 38.460 -0.008 0.000 1.010 73 Y HN 0.644 nan 8.280 nan 0.000 0.536 74 Q N 0.844 120.635 119.800 -0.016 0.000 2.212 74 Q HA 0.289 4.629 4.340 -0.000 0.000 0.199 74 Q C 1.315 177.305 176.000 -0.018 0.000 0.950 74 Q CA 1.376 57.170 55.803 -0.015 0.000 0.863 74 Q CB -0.994 27.735 28.738 -0.016 0.000 0.944 74 Q HN 0.980 nan 8.270 nan 0.000 0.465 78 R N 0.119 120.614 120.500 -0.007 0.000 2.603 78 R HA 0.829 5.168 4.340 -0.000 0.000 0.231 78 R C 1.811 178.107 176.300 -0.006 0.000 1.263 78 R CA 0.530 56.626 56.100 -0.008 0.000 1.102 78 R CB -0.711 29.582 30.300 -0.012 0.000 1.527 78 R HN 0.803 nan 8.270 nan 0.000 0.554 79 G N -0.704 108.092 108.800 -0.006 0.000 2.511 79 G HA2 0.097 4.057 3.960 -0.000 0.000 0.216 79 G HA3 0.097 4.057 3.960 -0.000 0.000 0.216 79 G C 1.476 176.372 174.900 -0.006 0.000 1.218 79 G CA 2.801 47.898 45.100 -0.005 0.000 0.788 79 G HN 1.876 nan 8.290 nan 0.000 0.560 80 R N -0.692 119.802 120.500 -0.011 0.000 2.885 80 R HA -0.024 4.316 4.340 -0.000 0.000 0.215 80 R C 0.923 177.216 176.300 -0.011 0.000 0.807 80 R CA 2.665 58.755 56.100 -0.016 0.000 0.551 80 R CB -2.781 27.504 30.300 -0.024 0.000 1.175 80 R HN 1.346 nan 8.270 nan 0.000 0.511 81 K N -0.728 119.670 120.400 -0.005 0.000 2.187 81 K HA 0.759 5.079 4.320 -0.000 0.000 0.247 81 K C 1.179 177.780 176.600 0.000 0.000 1.019 81 K CA 1.507 57.796 56.287 0.003 0.000 0.893 81 K CB -0.369 32.134 32.500 0.005 0.000 1.025 81 K HN 2.507 nan 8.250 nan 0.000 0.500 82 Q N -2.500 117.306 119.800 0.009 0.000 3.203 82 Q HA 0.378 4.718 4.340 -0.000 0.000 0.033 82 Q C 0.293 176.291 176.000 -0.003 0.000 1.693 82 Q CA 0.876 56.684 55.803 0.007 0.000 0.254 82 Q CB -2.320 26.417 28.738 -0.002 0.000 0.583 82 Q HN 2.651 nan 8.270 nan 0.000 0.322 83 A N 2.253 125.076 122.820 0.005 0.000 2.406 83 A HA 0.746 5.066 4.320 -0.000 0.000 0.243 83 A C 0.995 178.536 177.584 -0.072 0.000 1.082 83 A CA 0.752 52.769 52.037 -0.033 0.000 0.786 83 A CB 0.850 19.855 19.000 0.008 0.000 1.029 83 A HN 2.330 nan 8.150 nan 0.000 0.495 84 S N 0.088 115.709 115.700 -0.132 0.000 2.610 84 S HA 0.397 4.867 4.470 -0.000 0.000 0.273 84 S C 0.469 174.994 174.600 -0.125 0.000 1.274 84 S CA -0.049 58.077 58.200 -0.125 0.000 1.023 84 S CB 0.649 63.760 63.200 -0.149 0.000 0.962 84 S HN 1.082 nan 8.310 nan 0.000 0.523 85 S N 2.149 117.790 115.700 -0.097 0.000 2.505 85 S HA 0.202 4.672 4.470 -0.000 0.000 0.276 85 S C 0.401 174.936 174.600 -0.107 0.000 1.274 85 S CA -0.428 57.720 58.200 -0.088 0.000 1.053 85 S CB 0.270 63.430 63.200 -0.067 0.000 0.919 85 S HN 0.743 nan 8.310 nan 0.000 0.490 86 Q N 3.185 122.921 119.800 -0.106 0.000 2.204 86 Q HA 0.117 4.457 4.340 -0.000 0.000 0.209 86 Q C 1.322 177.268 176.000 -0.090 0.000 0.861 86 Q CA 0.000 55.729 55.803 -0.123 0.000 0.971 86 Q CB 0.300 28.968 28.738 -0.117 0.000 1.095 86 Q HN 0.918 nan 8.270 nan 0.000 0.486 87 E N 1.201 121.360 120.200 -0.069 0.000 2.077 87 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 87 E C -0.928 175.654 176.600 -0.031 0.000 0.989 87 E CA 0.866 57.243 56.400 -0.038 0.000 0.800 87 E CB -0.124 29.546 29.700 -0.049 0.000 0.746 87 E HN 0.178 nan 8.360 nan 0.000 0.452 88 P HA -0.159 nan 4.420 nan 0.000 0.216 88 P C 1.452 178.656 177.300 -0.160 0.000 1.150 88 P CA 0.902 63.954 63.100 -0.081 0.000 0.837 88 P CB -0.042 31.610 31.700 -0.080 0.000 0.786 89 L N -1.891 119.166 121.223 -0.276 0.000 2.056 89 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 89 L C 2.296 178.745 176.870 -0.701 0.000 1.078 89 L CA 1.731 56.207 54.840 -0.606 0.000 0.749 89 L CB -1.415 40.197 42.059 -0.745 0.000 0.901 89 L HN -0.087 nan 8.230 nan 0.000 0.433 90 Y N 0.123 120.176 120.300 -0.412 0.000 2.242 90 Y HA -0.239 4.311 4.550 0.000 0.000 0.291 90 Y C 2.218 178.129 175.900 0.018 0.000 1.137 90 Y CA 1.906 59.941 58.100 -0.109 0.000 1.181 90 Y CB 0.002 38.479 38.460 0.029 0.000 0.989 90 Y HN 0.320 nan 8.280 nan 0.000 0.527 91 D N 0.067 120.556 120.400 0.148 0.000 2.149 91 D HA -0.197 4.443 4.640 -0.000 0.000 0.201 91 D C 2.303 178.641 176.300 0.064 0.000 0.972 91 D CA 0.972 55.052 54.000 0.133 0.000 0.835 91 D CB -0.438 40.407 40.800 0.075 0.000 0.966 91 D HN 0.391 nan 8.370 nan 0.000 0.476 92 L N 0.074 121.267 121.223 -0.050 0.000 1.989 92 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 92 L C 0.855 177.757 176.870 0.053 0.000 1.071 92 L CA 1.105 55.929 54.840 -0.027 0.000 0.749 92 L CB -0.056 41.918 42.059 -0.143 0.000 0.890 92 L HN 0.039 nan 8.230 nan 0.000 0.431 96 L N 1.611 122.951 121.223 0.194 0.000 2.201 96 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 96 L C 1.990 178.955 176.870 0.158 0.000 1.105 96 L CA 1.282 56.252 54.840 0.217 0.000 0.775 96 L CB -0.127 42.035 42.059 0.172 0.000 0.913 96 L HN 0.271 nan 8.230 nan 0.000 0.440 97 Q N -0.947 118.928 119.800 0.125 0.000 2.398 97 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 97 Q C 1.789 177.805 176.000 0.028 0.000 0.932 97 Q CA 1.470 57.328 55.803 0.092 0.000 0.916 97 Q CB 0.411 29.233 28.738 0.140 0.000 1.024 97 Q HN 0.599 nan 8.270 nan 0.000 0.504 98 T N -4.255 110.304 114.554 0.009 0.000 2.975 98 T HA 0.198 4.548 4.350 -0.000 0.000 0.257 98 T C 0.979 175.576 174.700 -0.171 0.000 1.003 98 T CA 0.127 62.188 62.100 -0.065 0.000 0.932 98 T CB 0.336 69.182 68.868 -0.038 0.000 1.087 98 T HN 0.111 nan 8.240 nan 0.000 0.512 99 G N 3.510 112.164 108.800 -0.245 0.000 2.562 99 G HA2 0.376 4.336 3.960 -0.000 0.000 0.233 99 G HA3 0.376 4.336 3.960 -0.000 0.000 0.233 99 G C -1.914 172.407 174.900 -0.965 0.000 1.266 99 G CA -0.999 43.653 45.100 -0.747 0.000 0.852 99 G HN 0.222 nan 8.290 nan 0.000 0.581 100 P HA 0.154 nan 4.420 nan 0.000 0.225 100 P C -1.353 175.738 177.300 -0.348 0.000 1.768 100 P CA 0.240 63.069 63.100 -0.451 0.000 0.943 100 P CB -0.715 30.859 31.700 -0.210 0.000 1.936 101 Y N -3.349 116.981 120.300 0.050 0.000 2.732 101 Y HA 0.365 4.915 4.550 -0.000 0.000 0.342 101 Y C -1.154 174.774 175.900 0.047 0.000 1.203 101 Y CA -1.950 56.178 58.100 0.048 0.000 1.092 101 Y CB 0.194 38.674 38.460 0.034 0.000 1.345 101 Y HN -0.316 nan 8.280 nan 0.000 0.458 102 V N 2.377 122.462 119.914 0.284 0.000 2.432 102 V HA 0.548 4.668 4.120 -0.000 0.000 0.275 102 V C 0.150 176.346 176.094 0.170 0.000 1.043 102 V CA -0.016 62.401 62.300 0.195 0.000 0.925 102 V CB 1.039 32.941 31.823 0.132 0.000 0.985 102 V HN 0.918 nan 8.190 nan 0.000 0.466 103 T N 3.848 118.497 114.554 0.159 0.000 2.867 103 T HA 0.819 5.169 4.350 -0.000 0.000 0.282 103 T C -0.594 174.125 174.700 0.033 0.000 1.000 103 T CA -0.559 61.593 62.100 0.088 0.000 1.042 103 T CB 1.395 70.344 68.868 0.135 0.000 0.973 103 T HN 0.381 nan 8.240 nan 0.000 0.465 104 I N 1.523 122.080 120.570 -0.022 0.000 2.569 104 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 104 I C -0.197 175.903 176.117 -0.028 0.000 1.088 104 I CA -0.929 60.349 61.300 -0.036 0.000 1.047 104 I CB 2.470 40.423 38.000 -0.078 0.000 1.237 104 I HN 0.574 nan 8.210 nan 0.000 0.421 105 S N 3.461 119.164 115.700 0.005 0.000 2.457 105 S HA 0.311 4.781 4.470 -0.000 0.000 0.289 105 S C -0.666 173.990 174.600 0.093 0.000 1.163 105 S CA -0.243 57.984 58.200 0.045 0.000 1.078 105 S CB 0.222 63.464 63.200 0.070 0.000 0.987 105 S HN 0.445 nan 8.310 nan 0.000 0.482 106 H N 3.578 122.631 119.070 -0.028 0.000 2.638 106 H HA 0.556 5.112 4.556 -0.000 0.000 0.303 106 H C -1.145 174.190 175.328 0.011 0.000 1.034 106 H CA -0.724 55.317 56.048 -0.011 0.000 1.225 106 H CB -0.020 29.731 29.762 -0.018 0.000 1.394 106 H HN 0.288 nan 8.280 nan 0.000 0.477 107 V N 6.966 126.994 119.914 0.190 0.000 2.459 107 V HA 0.568 4.688 4.120 -0.000 0.000 0.295 107 V C 0.026 176.120 176.094 -0.000 0.000 1.029 107 V CA -0.732 61.601 62.300 0.055 0.000 0.874 107 V CB 1.559 33.471 31.823 0.148 0.000 0.985 107 V HN 0.718 nan 8.190 nan 0.000 0.438 108 R N 2.361 122.804 120.500 -0.095 0.000 2.673 108 R HA 0.725 5.065 4.340 -0.000 0.000 0.281 108 R C 0.238 176.465 176.300 -0.122 0.000 0.991 108 R CA -0.028 56.016 56.100 -0.094 0.000 0.896 108 R CB 2.188 32.418 30.300 -0.116 0.000 1.201 108 R HN 1.145 nan 8.270 nan 0.000 0.457 109 G N 2.070 110.793 108.800 -0.128 0.000 2.632 109 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.224 109 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.224 109 G C -1.037 173.732 174.900 -0.218 0.000 1.341 109 G CA -0.776 44.239 45.100 -0.141 0.000 0.880 109 G HN 0.464 nan 8.290 nan 0.000 0.566 110 K N -0.407 119.891 120.400 -0.170 0.000 2.298 110 K HA 0.533 4.853 4.320 -0.000 0.000 0.280 110 K C -0.335 176.153 176.600 -0.187 0.000 1.032 110 K CA -0.360 55.814 56.287 -0.189 0.000 0.958 110 K CB 1.739 34.175 32.500 -0.106 0.000 0.978 110 K HN 0.481 nan 8.250 nan 0.000 0.472 111 V N 3.226 122.998 119.914 -0.236 0.000 2.525 111 V HA 0.242 4.362 4.120 -0.000 0.000 0.299 111 V C -0.336 175.753 176.094 -0.008 0.000 1.034 111 V CA -1.016 61.212 62.300 -0.120 0.000 0.863 111 V CB 1.552 33.282 31.823 -0.156 0.000 0.999 111 V HN 0.763 nan 8.190 nan 0.000 0.423 112 N N 1.860 120.585 118.700 0.040 0.000 2.619 112 N HA 0.717 5.457 4.740 -0.000 0.000 0.294 112 N C 0.141 175.713 175.510 0.104 0.000 1.279 112 N CA -0.072 53.022 53.050 0.073 0.000 0.867 112 N CB 2.267 40.788 38.487 0.057 0.000 1.329 112 N HN 0.824 nan 8.380 nan 0.000 0.557 113 A N -0.606 122.282 122.820 0.113 0.000 2.609 113 A HA 0.347 4.667 4.320 -0.000 0.000 0.232 113 A C 1.337 179.011 177.584 0.150 0.000 1.041 113 A CA 1.383 53.498 52.037 0.130 0.000 0.753 113 A CB -0.995 18.090 19.000 0.141 0.000 0.966 113 A HN 1.092 nan 8.150 nan 0.000 0.510 114 G N 1.718 110.629 108.800 0.186 0.000 3.922 114 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.208 114 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.208 114 G C 1.682 176.750 174.900 0.280 0.000 1.491 114 G CA 0.946 46.225 45.100 0.298 0.000 1.017 114 G HN 1.971 nan 8.290 nan 0.000 0.603 115 G N 0.668 109.605 108.800 0.228 0.000 2.432 115 G HA2 0.116 4.076 3.960 -0.000 0.000 0.219 115 G HA3 0.116 4.076 3.960 -0.000 0.000 0.219 115 G C 1.878 176.872 174.900 0.158 0.000 1.135 115 G CA 1.448 46.703 45.100 0.259 0.000 0.767 115 G HN 0.913 nan 8.290 nan 0.000 0.550 116 L N 0.666 121.935 121.223 0.076 0.000 2.131 116 L HA 0.052 4.392 4.340 -0.000 0.000 0.210 116 L C 2.915 179.613 176.870 -0.286 0.000 1.092 116 L CA 1.223 56.065 54.840 0.004 0.000 0.759 116 L CB -0.300 41.794 42.059 0.059 0.000 0.903 116 L HN 0.293 nan 8.230 nan 0.000 0.435 117 G N -0.915 107.505 108.800 -0.634 0.000 2.402 117 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 117 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 117 G C 1.262 175.036 174.900 -1.875 0.000 1.162 117 G CA 0.480 44.498 45.100 -1.804 0.000 0.777 117 G HN 0.258 nan 8.290 nan 0.000 0.539 118 F N 0.718 120.069 119.950 -0.999 0.000 2.075 118 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 118 F C 2.932 178.535 175.800 -0.330 0.000 1.113 118 F CA 0.941 58.640 58.000 -0.503 0.000 1.218 118 F CB -0.750 38.248 39.000 -0.004 0.000 0.984 118 F HN -0.038 nan 8.300 nan 0.000 0.472 119 V N -0.859 119.053 119.914 -0.003 0.000 2.255 119 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 119 V C 2.366 178.409 176.094 -0.085 0.000 1.051 119 V CA 2.221 64.527 62.300 0.010 0.000 1.018 119 V CB -1.075 30.805 31.823 0.095 0.000 0.641 119 V HN 0.287 nan 8.190 nan 0.000 0.445 120 S N 0.124 115.721 115.700 -0.172 0.000 2.370 120 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 120 S C 2.174 176.710 174.600 -0.107 0.000 1.033 120 S CA 1.482 59.604 58.200 -0.131 0.000 1.011 120 S CB -0.529 62.599 63.200 -0.120 0.000 0.852 120 S HN 0.666 nan 8.310 nan 0.000 0.457 121 A N 1.385 124.032 122.820 -0.289 0.000 1.969 121 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 121 A C 1.549 179.105 177.584 -0.047 0.000 1.169 121 A CA 1.293 53.199 52.037 -0.219 0.000 0.635 121 A CB -1.237 17.375 19.000 -0.648 0.000 0.810 121 A HN 0.589 nan 8.150 nan 0.000 0.445 122 T N -1.716 112.817 114.554 -0.035 0.000 2.903 122 T HA 0.108 4.458 4.350 -0.000 0.000 0.314 122 T C 0.365 175.091 174.700 0.043 0.000 1.078 122 T CA 0.164 62.283 62.100 0.031 0.000 1.114 122 T CB 0.640 69.529 68.868 0.034 0.000 0.987 122 T HN 0.311 nan 8.240 nan 0.000 0.548 123 D N 0.822 121.262 120.400 0.067 0.000 2.178 123 D HA 0.035 4.675 4.640 -0.000 0.000 0.201 123 D C 0.702 177.040 176.300 0.063 0.000 0.980 123 D CA 1.248 55.295 54.000 0.078 0.000 0.842 123 D CB 0.135 40.997 40.800 0.104 0.000 0.948 123 D HN 0.580 nan 8.370 nan 0.000 0.472 124 I N -0.264 120.329 120.570 0.038 0.000 2.686 124 I HA 0.435 4.605 4.170 -0.000 0.000 0.295 124 I C -0.994 175.111 176.117 -0.020 0.000 1.114 124 I CA -0.963 60.342 61.300 0.009 0.000 1.038 124 I CB 2.540 40.537 38.000 -0.006 0.000 1.238 124 I HN -0.259 nan 8.210 nan 0.000 0.420 125 A N 7.153 129.956 122.820 -0.027 0.000 2.335 125 A HA 0.860 5.180 4.320 -0.000 0.000 0.304 125 A C -0.817 176.758 177.584 -0.016 0.000 1.118 125 A CA -0.483 51.548 52.037 -0.011 0.000 0.757 125 A CB 1.055 20.054 19.000 -0.002 0.000 1.188 125 A HN 0.736 nan 8.150 nan 0.000 0.460 126 I N -0.245 120.322 120.570 -0.005 0.000 2.740 126 I HA 0.992 5.162 4.170 -0.000 0.000 0.303 126 I C -0.274 175.942 176.117 0.166 0.000 1.044 126 I CA -0.922 60.391 61.300 0.022 0.000 1.064 126 I CB 2.315 40.229 38.000 -0.144 0.000 1.249 126 I HN 0.762 nan 8.210 nan 0.000 0.433 127 A N 3.333 126.289 122.820 0.228 0.000 2.593 127 A HA 0.713 5.033 4.320 -0.000 0.000 0.290 127 A C -1.461 176.290 177.584 0.277 0.000 1.126 127 A CA -0.543 51.653 52.037 0.265 0.000 0.695 127 A CB 1.513 20.674 19.000 0.269 0.000 1.290 127 A HN 0.894 nan 8.150 nan 0.000 0.414 128 D N -0.868 119.663 120.400 0.218 0.000 2.529 128 D HA 0.254 4.894 4.640 -0.000 0.000 0.273 128 D C 0.313 176.740 176.300 0.211 0.000 1.197 128 D CA -0.334 53.780 54.000 0.191 0.000 1.070 128 D CB 0.364 41.237 40.800 0.122 0.000 1.134 128 D HN 0.451 nan 8.370 nan 0.000 0.590 129 Q N -1.204 118.704 119.800 0.180 0.000 2.444 129 Q HA 0.003 4.343 4.340 -0.000 0.000 0.206 129 Q C 1.336 177.379 176.000 0.073 0.000 0.948 129 Q CA 0.909 56.817 55.803 0.175 0.000 0.946 129 Q CB -0.070 28.767 28.738 0.164 0.000 1.027 129 Q HN 0.721 nan 8.270 nan 0.000 0.513 130 T N -2.545 112.030 114.554 0.035 0.000 3.035 130 T HA 0.208 4.558 4.350 -0.000 0.000 0.259 130 T C 1.052 175.705 174.700 -0.077 0.000 1.078 130 T CA 0.252 62.341 62.100 -0.019 0.000 1.132 130 T CB 0.009 68.861 68.868 -0.027 0.000 0.900 130 T HN 0.180 nan 8.240 nan 0.000 0.480 131 A N 1.165 123.931 122.820 -0.090 0.000 2.587 131 A HA 0.482 4.801 4.320 -0.000 0.000 0.233 131 A C 0.413 177.785 177.584 -0.354 0.000 1.049 131 A CA 0.023 51.907 52.037 -0.255 0.000 0.754 131 A CB -0.188 18.713 19.000 -0.164 0.000 0.977 131 A HN 0.486 nan 8.150 nan 0.000 0.509 132 S N 0.539 115.853 115.700 -0.644 0.000 2.536 132 S HA 0.765 5.235 4.470 -0.000 0.000 0.271 132 S C -1.417 172.731 174.600 -0.754 0.000 1.134 132 S CA -0.544 57.372 58.200 -0.473 0.000 0.897 132 S CB 0.461 63.527 63.200 -0.223 0.000 1.094 132 S HN 0.563 nan 8.310 nan 0.000 0.473 133 F N 2.198 122.114 119.950 -0.057 0.000 2.540 133 F HA 0.735 5.262 4.527 -0.000 0.000 0.317 133 F C 0.411 176.204 175.800 -0.011 0.000 1.104 133 F CA -0.516 57.466 58.000 -0.029 0.000 0.913 133 F CB 2.276 41.255 39.000 -0.035 0.000 1.170 133 F HN 0.557 nan 8.300 nan 0.000 0.450 134 S N 2.196 117.994 115.700 0.163 0.000 2.570 134 S HA 0.859 5.329 4.470 -0.000 0.000 0.270 134 S C -2.040 172.631 174.600 0.119 0.000 1.149 134 S CA -0.759 57.511 58.200 0.116 0.000 0.837 134 S CB 2.124 65.364 63.200 0.065 0.000 1.124 134 S HN 0.468 nan 8.310 nan 0.000 0.465 135 L N 2.828 124.115 121.223 0.107 0.000 2.471 135 L HA 0.576 4.916 4.340 -0.000 0.000 0.263 135 L C 0.743 177.675 176.870 0.102 0.000 0.985 135 L CA 0.068 54.977 54.840 0.114 0.000 0.868 135 L CB 1.572 43.704 42.059 0.122 0.000 1.203 135 L HN 1.058 nan 8.230 nan 0.000 0.429 136 S N -0.088 115.684 115.700 0.121 0.000 2.559 136 S HA 0.070 4.540 4.470 -0.000 0.000 0.226 136 S C 1.111 175.836 174.600 0.208 0.000 1.000 136 S CA -0.209 58.072 58.200 0.134 0.000 0.948 136 S CB 0.078 63.362 63.200 0.139 0.000 0.870 136 S HN 0.541 nan 8.310 nan 0.000 0.497 137 E N 2.213 122.542 120.200 0.215 0.000 2.169 137 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 137 E C 1.681 178.443 176.600 0.271 0.000 1.016 137 E CA 0.904 57.463 56.400 0.265 0.000 0.817 137 E CB -0.924 28.873 29.700 0.162 0.000 0.736 137 E HN 0.485 nan 8.360 nan 0.000 0.462 138 L N 0.929 122.259 121.223 0.178 0.000 2.263 138 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 138 L C 2.367 179.268 176.870 0.053 0.000 1.111 138 L CA 1.167 56.081 54.840 0.122 0.000 0.773 138 L CB -0.438 41.666 42.059 0.076 0.000 0.906 138 L HN 0.108 nan 8.230 nan 0.000 0.439 139 L N -2.301 118.927 121.223 0.009 0.000 2.275 139 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 139 L C 1.313 177.961 176.870 -0.370 0.000 1.119 139 L CA 0.822 55.536 54.840 -0.210 0.000 0.790 139 L CB -0.370 41.487 42.059 -0.336 0.000 0.919 139 L HN 0.211 nan 8.230 nan 0.000 0.443 140 F N -0.722 119.229 119.950 0.001 0.000 2.641 140 F HA 0.314 4.841 4.527 -0.000 0.000 0.302 140 F C 1.653 177.439 175.800 -0.022 0.000 1.098 140 F CA 0.339 58.332 58.000 -0.012 0.000 1.318 140 F CB 0.269 39.258 39.000 -0.017 0.000 1.035 140 F HN 0.082 nan 8.300 nan 0.000 0.551 141 G N 0.942 109.810 108.800 0.113 0.000 2.148 141 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 141 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 141 G C 0.004 174.972 174.900 0.115 0.000 0.981 141 G CA 0.089 45.242 45.100 0.089 0.000 0.670 141 G HN 0.302 nan 8.290 nan 0.000 0.528 142 L N -0.694 120.602 121.223 0.122 0.000 2.313 142 L HA 0.885 5.225 4.340 -0.000 0.000 0.268 142 L C 0.139 177.132 176.870 0.206 0.000 1.010 142 L CA -1.791 53.069 54.840 0.034 0.000 0.814 142 L CB 1.584 43.569 42.059 -0.122 0.000 1.304 142 L HN 0.287 nan 8.230 nan 0.000 0.441 143 Y N -1.018 119.296 120.300 0.024 0.000 2.479 143 Y HA 0.481 5.031 4.550 -0.000 0.000 0.338 143 Y C -2.696 173.268 175.900 0.108 0.000 1.055 143 Y CA -3.071 55.072 58.100 0.071 0.000 1.023 143 Y CB 0.368 38.869 38.460 0.068 0.000 1.287 143 Y HN 0.288 nan 8.280 nan 0.000 0.447 144 P HA 0.127 nan 4.420 nan 0.000 0.235 144 P C 0.658 178.092 177.300 0.224 0.000 1.765 144 P CA 0.548 63.758 63.100 0.183 0.000 1.034 144 P CB 0.286 32.104 31.700 0.196 0.000 1.984 145 A N 1.399 124.313 122.820 0.156 0.000 1.873 145 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 145 A C 2.277 180.044 177.584 0.304 0.000 1.193 145 A CA 1.860 54.030 52.037 0.222 0.000 0.629 145 A CB -1.436 17.620 19.000 0.094 0.000 0.826 145 A HN 0.471 nan 8.150 nan 0.000 0.447 146 C N -1.422 118.080 119.300 0.337 0.000 2.425 146 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 146 C C 2.740 178.103 174.990 0.621 0.000 1.280 146 C CA 0.970 60.305 59.018 0.527 0.000 1.744 146 C CB -1.310 26.670 27.740 0.400 0.000 1.989 146 C HN 0.466 nan 8.230 nan 0.000 0.491 147 V N 0.460 120.670 119.914 0.493 0.000 2.323 147 V HA -0.142 3.978 4.120 -0.000 0.000 0.244 147 V C 2.470 178.725 176.094 0.269 0.000 1.041 147 V CA 1.290 63.791 62.300 0.336 0.000 1.025 147 V CB -0.678 31.257 31.823 0.186 0.000 0.656 147 V HN 0.365 nan 8.190 nan 0.000 0.451 148 L N 0.094 121.462 121.223 0.241 0.000 2.064 148 L HA -0.165 4.175 4.340 -0.000 0.000 0.216 148 L C 0.223 177.160 176.870 0.112 0.000 1.077 148 L CA 2.590 57.536 54.840 0.176 0.000 0.766 148 L CB -2.696 39.478 42.059 0.192 0.000 0.890 148 L HN 0.331 nan 8.230 nan 0.000 0.435 149 P HA -0.149 nan 4.420 nan 0.000 0.216 149 P C 1.808 178.990 177.300 -0.197 0.000 1.153 149 P CA 1.261 64.308 63.100 -0.088 0.000 0.848 149 P CB -0.062 31.553 31.700 -0.142 0.000 0.787 150 F N -1.075 118.853 119.950 -0.038 0.000 2.113 150 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 150 F C 2.244 177.994 175.800 -0.083 0.000 1.103 150 F CA 0.975 58.914 58.000 -0.102 0.000 1.248 150 F CB -1.529 37.334 39.000 -0.228 0.000 0.999 150 F HN -0.173 nan 8.300 nan 0.000 0.475 151 L N 0.524 121.812 121.223 0.110 0.000 2.042 151 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 151 L C 2.122 179.016 176.870 0.041 0.000 1.076 151 L CA 1.673 56.546 54.840 0.054 0.000 0.749 151 L CB -0.808 41.288 42.059 0.061 0.000 0.893 151 L HN 0.145 nan 8.230 nan 0.000 0.432 152 I N -0.576 120.013 120.570 0.032 0.000 2.208 152 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 152 I C 2.730 178.845 176.117 -0.003 0.000 1.097 152 I CA 1.620 62.926 61.300 0.010 0.000 1.363 152 I CB -0.436 37.563 38.000 -0.002 0.000 1.051 152 I HN 0.356 nan 8.210 nan 0.000 0.413 153 R N 1.228 121.722 120.500 -0.010 0.000 2.105 153 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 153 R C 2.374 178.680 176.300 0.010 0.000 1.135 153 R CA 1.464 57.559 56.100 -0.009 0.000 0.967 153 R CB -0.051 30.239 30.300 -0.016 0.000 0.861 153 R HN 0.344 nan 8.270 nan 0.000 0.442 154 R N 0.226 120.738 120.500 0.020 0.000 2.066 154 R HA 0.019 4.359 4.340 -0.000 0.000 0.224 154 R C 2.224 178.542 176.300 0.030 0.000 1.122 154 R CA 1.566 57.681 56.100 0.025 0.000 0.974 154 R CB -0.125 30.184 30.300 0.016 0.000 0.871 154 R HN 0.418 nan 8.270 nan 0.000 0.435 155 I N -2.757 117.831 120.570 0.031 0.000 4.082 155 I HA 0.406 4.576 4.170 -0.000 0.000 0.337 155 I C 0.273 176.373 176.117 -0.028 0.000 1.352 155 I CA -0.065 61.253 61.300 0.030 0.000 1.097 155 I CB 0.672 38.725 38.000 0.089 0.000 1.048 155 I HN 0.147 nan 8.210 nan 0.000 0.393 156 G N 2.111 110.897 108.800 -0.024 0.000 2.758 156 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 156 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 156 G C 0.226 175.099 174.900 -0.045 0.000 1.389 156 G CA -0.145 44.928 45.100 -0.044 0.000 0.845 156 G HN 0.381 nan 8.290 nan 0.000 0.572 157 R N 0.168 120.639 120.500 -0.047 0.000 2.081 157 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 157 R C 2.660 178.946 176.300 -0.023 0.000 1.131 157 R CA 1.978 58.053 56.100 -0.042 0.000 0.960 157 R CB -0.286 29.972 30.300 -0.071 0.000 0.856 157 R HN 0.577 nan 8.270 nan 0.000 0.436 158 Q N 1.445 121.214 119.800 -0.052 0.000 2.002 158 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 158 Q C 1.816 177.781 176.000 -0.058 0.000 0.988 158 Q CA 1.782 57.566 55.803 -0.031 0.000 0.843 158 Q CB -0.057 28.625 28.738 -0.095 0.000 0.908 158 Q HN -0.009 nan 8.270 nan 0.000 0.420 159 K N 0.101 120.369 120.400 -0.220 0.000 2.103 159 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 159 K C 1.963 178.494 176.600 -0.116 0.000 1.048 159 K CA 1.338 57.373 56.287 -0.418 0.000 0.930 159 K CB -0.764 31.316 32.500 -0.701 0.000 0.716 159 K HN 0.342 nan 8.250 nan 0.000 0.444 160 A N 0.684 123.501 122.820 -0.006 0.000 1.930 160 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 160 A C 2.164 179.835 177.584 0.145 0.000 1.175 160 A CA 1.462 53.551 52.037 0.087 0.000 0.627 160 A CB -0.719 18.325 19.000 0.074 0.000 0.815 160 A HN 0.443 nan 8.150 nan 0.000 0.443 161 H N -2.574 116.507 119.070 0.018 0.000 2.293 161 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 161 H C 1.067 176.439 175.328 0.074 0.000 1.082 161 H CA 1.241 57.308 56.048 0.031 0.000 1.308 161 H CB -0.235 29.533 29.762 0.010 0.000 1.375 161 H HN 0.470 nan 8.280 nan 0.000 0.495 168 K N 2.299 122.671 120.400 -0.046 0.000 2.218 168 K HA 0.718 5.038 4.320 -0.000 0.000 0.276 168 K C -2.987 173.618 176.600 0.008 0.000 1.022 168 K CA -1.786 54.490 56.287 -0.019 0.000 0.946 168 K CB -0.549 31.936 32.500 -0.026 0.000 1.000 168 K HN 0.013 nan 8.250 nan 0.000 0.468 169 P HA 0.033 nan 4.420 nan 0.000 0.267 169 P C -0.583 176.727 177.300 0.016 0.000 1.200 169 P CA -0.083 63.030 63.100 0.022 0.000 0.772 169 P CB 0.375 32.074 31.700 -0.002 0.000 0.855 170 I N 1.127 121.718 120.570 0.035 0.000 2.460 170 I HA 0.205 4.375 4.170 -0.000 0.000 0.298 170 I C 0.883 176.997 176.117 -0.006 0.000 0.989 170 I CA -0.454 60.822 61.300 -0.040 0.000 1.173 170 I CB 1.466 39.401 38.000 -0.108 0.000 1.338 170 I HN 0.398 nan 8.210 nan 0.000 0.456 171 S N 4.423 120.065 115.700 -0.097 0.000 2.652 171 S HA 0.336 4.806 4.470 -0.000 0.000 0.270 171 S C 1.247 175.782 174.600 -0.109 0.000 1.243 171 S CA -0.762 57.390 58.200 -0.080 0.000 0.999 171 S CB 1.578 64.718 63.200 -0.100 0.000 0.973 171 S HN 0.374 nan 8.310 nan 0.000 0.544 172 V N 0.798 120.649 119.914 -0.105 0.000 2.453 172 V HA -0.205 3.915 4.120 -0.000 0.000 0.252 172 V C 2.549 178.262 176.094 -0.634 0.000 1.068 172 V CA 1.894 64.038 62.300 -0.259 0.000 1.070 172 V CB -1.744 29.897 31.823 -0.304 0.000 0.664 172 V HN 0.783 nan 8.190 nan 0.000 0.461 173 Q N 0.893 120.407 119.800 -0.477 0.000 1.993 173 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 173 Q C 2.307 178.080 176.000 -0.378 0.000 0.984 173 Q CA 2.210 57.775 55.803 -0.397 0.000 0.837 173 Q CB -0.484 28.160 28.738 -0.157 0.000 0.902 173 Q HN 0.759 nan 8.270 nan 0.000 0.423 174 E N 0.148 120.092 120.200 -0.427 0.000 2.077 174 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 174 E C 1.957 178.039 176.600 -0.863 0.000 0.989 174 E CA 0.892 56.861 56.400 -0.718 0.000 0.800 174 E CB -0.265 28.881 29.700 -0.923 0.000 0.746 174 E HN 0.376 nan 8.360 nan 0.000 0.452 175 A N 1.175 123.613 122.820 -0.636 0.000 1.908 175 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 175 A C 2.295 179.671 177.584 -0.346 0.000 1.181 175 A CA 1.955 53.682 52.037 -0.516 0.000 0.627 175 A CB -0.735 17.932 19.000 -0.554 0.000 0.818 175 A HN 0.242 nan 8.150 nan 0.000 0.445 176 S N -0.536 114.944 115.700 -0.366 0.000 2.356 176 S HA -0.218 4.252 4.470 -0.000 0.000 0.223 176 S C 1.917 176.486 174.600 -0.052 0.000 1.032 176 S CA 1.791 59.871 58.200 -0.200 0.000 1.005 176 S CB -0.386 62.648 63.200 -0.277 0.000 0.867 176 S HN 0.666 nan 8.310 nan 0.000 0.449 177 E N -0.407 119.749 120.200 -0.073 0.000 2.051 177 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 177 E C 1.809 178.551 176.600 0.238 0.000 0.991 177 E CA 1.354 57.799 56.400 0.075 0.000 0.799 177 E CB -0.236 29.512 29.700 0.080 0.000 0.748 177 E HN 0.656 nan 8.360 nan 0.000 0.449 178 W N -0.157 121.118 121.300 -0.040 0.000 2.525 178 W HA 0.101 4.761 4.660 -0.000 0.000 0.259 178 W C 1.524 178.018 176.519 -0.041 0.000 1.253 178 W CA 1.239 58.561 57.345 -0.037 0.000 1.262 178 W CB -0.598 28.836 29.460 -0.044 0.000 1.122 178 W HN 0.290 nan 8.180 nan 0.000 0.607 179 G N -0.459 108.434 108.800 0.155 0.000 2.159 179 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.227 179 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.227 179 G C 0.769 175.683 174.900 0.022 0.000 0.986 179 G CA 0.149 45.295 45.100 0.078 0.000 0.651 179 G HN 0.270 nan 8.290 nan 0.000 0.523 180 L N 0.838 122.045 121.223 -0.027 0.000 2.156 180 L HA 0.472 4.812 4.340 -0.000 0.000 0.208 180 L C 1.104 177.858 176.870 -0.193 0.000 1.095 180 L CA 1.965 56.717 54.840 -0.147 0.000 0.770 180 L CB -0.099 41.777 42.059 -0.304 0.000 0.914 180 L HN 0.749 nan 8.230 nan 0.000 0.439 181 I N -4.575 115.897 120.570 -0.164 0.000 2.545 181 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 181 I C 0.233 176.352 176.117 0.003 0.000 1.040 181 I CA -0.487 60.759 61.300 -0.090 0.000 1.068 181 I CB 1.639 39.584 38.000 -0.092 0.000 1.251 181 I HN -0.124 nan 8.210 nan 0.000 0.424 182 D N 3.893 124.314 120.400 0.035 0.000 2.249 182 D HA 0.432 5.072 4.640 -0.000 0.000 0.205 182 D C 0.459 176.842 176.300 0.139 0.000 0.962 182 D CA 1.347 55.393 54.000 0.077 0.000 0.860 182 D CB 0.298 41.136 40.800 0.063 0.000 0.955 182 D HN 0.835 nan 8.370 nan 0.000 0.505 183 A N -0.029 122.887 122.820 0.160 0.000 2.594 183 A HA 0.569 4.889 4.320 -0.000 0.000 0.296 183 A C -1.785 175.992 177.584 0.323 0.000 1.056 183 A CA -0.984 51.199 52.037 0.242 0.000 0.693 183 A CB 0.849 19.975 19.000 0.210 0.000 1.278 183 A HN 0.141 nan 8.150 nan 0.000 0.408 184 F N -0.007 119.974 119.950 0.050 0.000 2.668 184 F HA 0.940 5.467 4.527 0.000 0.000 0.309 184 F C -1.181 174.651 175.800 0.052 0.000 1.117 184 F CA -0.927 57.106 58.000 0.054 0.000 0.951 184 F CB 1.573 40.609 39.000 0.060 0.000 1.323 184 F HN 0.710 nan 8.300 nan 0.000 0.451 185 D N 0.724 121.111 120.400 -0.020 0.000 2.683 185 D HA 0.379 5.019 4.640 -0.000 0.000 0.246 185 D C 0.356 176.671 176.300 0.026 0.000 1.238 185 D CA 0.062 53.993 54.000 -0.115 0.000 0.759 185 D CB 2.467 43.202 40.800 -0.109 0.000 1.349 185 D HN 0.915 nan 8.370 nan 0.000 0.426 186 A N 1.967 124.791 122.820 0.006 0.000 1.958 186 A HA -0.162 4.158 4.320 -0.000 0.000 0.221 186 A C 0.883 178.494 177.584 0.044 0.000 1.178 186 A CA 1.528 53.586 52.037 0.036 0.000 0.642 186 A CB -0.204 18.806 19.000 0.016 0.000 0.816 186 A HN 0.530 nan 8.150 nan 0.000 0.453 187 E N 0.132 120.351 120.200 0.032 0.000 2.731 187 E HA 0.223 4.573 4.350 -0.000 0.000 0.220 187 E C 0.871 177.504 176.600 0.056 0.000 1.087 187 E CA 0.238 56.664 56.400 0.044 0.000 1.020 187 E CB 0.641 30.355 29.700 0.024 0.000 1.339 187 E HN 0.633 nan 8.360 nan 0.000 0.444 188 S N 1.091 116.854 115.700 0.105 0.000 2.402 188 S HA -0.255 4.215 4.470 -0.000 0.000 0.233 188 S C 1.476 176.072 174.600 -0.006 0.000 1.030 188 S CA 1.002 59.268 58.200 0.110 0.000 1.003 188 S CB 0.017 63.408 63.200 0.318 0.000 0.813 188 S HN 0.385 nan 8.310 nan 0.000 0.477 189 D N 1.289 121.737 120.400 0.080 0.000 2.123 189 D HA -0.081 4.559 4.640 -0.000 0.000 0.196 189 D C 1.982 178.278 176.300 -0.006 0.000 0.992 189 D CA 1.446 55.473 54.000 0.045 0.000 0.833 189 D CB -0.146 40.712 40.800 0.097 0.000 0.954 189 D HN 0.372 nan 8.370 nan 0.000 0.455 190 V N 1.019 120.940 119.914 0.011 0.000 2.453 190 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 190 V C 2.429 178.531 176.094 0.014 0.000 1.048 190 V CA 0.684 62.990 62.300 0.010 0.000 1.049 190 V CB -0.241 31.587 31.823 0.008 0.000 0.672 190 V HN 0.142 nan 8.190 nan 0.000 0.457 191 L N -0.048 121.186 121.223 0.018 0.000 2.083 191 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 191 L C 2.179 179.129 176.870 0.135 0.000 1.083 191 L CA 1.850 56.735 54.840 0.075 0.000 0.752 191 L CB -0.693 41.403 42.059 0.061 0.000 0.899 191 L HN 0.321 nan 8.230 nan 0.000 0.433 192 L N -0.252 120.949 121.223 -0.037 0.000 1.976 192 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 192 L C 2.645 179.538 176.870 0.038 0.000 1.071 192 L CA 1.785 56.576 54.840 -0.081 0.000 0.746 192 L CB -0.786 41.103 42.059 -0.283 0.000 0.890 192 L HN 0.213 nan 8.230 nan 0.000 0.432 193 R N -0.368 120.147 120.500 0.025 0.000 2.117 193 R HA -0.231 4.109 4.340 -0.000 0.000 0.243 193 R C 2.413 178.735 176.300 0.037 0.000 1.143 193 R CA 1.889 58.013 56.100 0.041 0.000 0.968 193 R CB -0.366 29.952 30.300 0.030 0.000 0.863 193 R HN 0.440 nan 8.270 nan 0.000 0.444 194 K N -0.396 120.025 120.400 0.036 0.000 2.097 194 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 194 K C 1.617 178.179 176.600 -0.063 0.000 1.050 194 K CA 1.471 57.748 56.287 -0.018 0.000 0.938 194 K CB 0.049 32.523 32.500 -0.045 0.000 0.718 194 K HN 0.264 nan 8.250 nan 0.000 0.442 195 H N 0.301 119.356 119.070 -0.024 0.000 2.363 195 H HA 0.056 4.612 4.556 -0.000 0.000 0.301 195 H C 0.372 175.691 175.328 -0.015 0.000 1.074 195 H CA 0.881 56.917 56.048 -0.019 0.000 1.354 195 H CB -0.013 29.734 29.762 -0.025 0.000 1.397 195 H HN 0.022 nan 8.280 nan 0.000 0.516 196 L N 0.503 121.783 121.223 0.096 0.000 2.476 196 L HA -0.036 4.304 4.340 -0.000 0.000 0.264 196 L C 1.116 178.004 176.870 0.030 0.000 1.224 196 L CA 0.227 55.095 54.840 0.047 0.000 0.821 196 L CB 0.628 42.712 42.059 0.041 0.000 1.101 196 L HN 0.396 nan 8.230 nan 0.000 0.488 197 L N -0.262 120.975 121.223 0.022 0.000 2.286 197 L HA -0.291 4.049 4.340 -0.000 0.000 0.465 197 L C 1.872 178.741 176.870 -0.001 0.000 0.705 197 L CA 1.691 56.537 54.840 0.010 0.000 3.281 197 L CB -0.773 41.287 42.059 0.002 0.000 0.595 197 L HN 0.723 nan 8.230 nan 0.000 0.785 198 R N -0.154 120.338 120.500 -0.013 0.000 2.127 198 R HA 0.203 4.543 4.340 -0.000 0.000 0.217 198 R C 1.972 178.273 176.300 0.000 0.000 1.074 198 R CA 1.473 57.559 56.100 -0.022 0.000 0.991 198 R CB -0.119 30.147 30.300 -0.056 0.000 0.895 198 R HN 0.499 nan 8.270 nan 0.000 0.450 199 L N 0.863 122.097 121.223 0.019 0.000 2.156 199 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 199 L C 2.551 179.440 176.870 0.032 0.000 1.095 199 L CA 0.884 55.745 54.840 0.035 0.000 0.770 199 L CB -0.341 41.748 42.059 0.050 0.000 0.914 199 L HN 0.182 nan 8.230 nan 0.000 0.439 200 R N 0.494 121.010 120.500 0.026 0.000 2.293 200 R HA -0.117 4.223 4.340 -0.000 0.000 0.219 200 R C 1.676 177.990 176.300 0.024 0.000 1.091 200 R CA 0.878 56.995 56.100 0.028 0.000 1.004 200 R CB -0.292 30.024 30.300 0.027 0.000 0.865 200 R HN 0.313 nan 8.270 nan 0.000 0.469 201 R N 0.752 121.262 120.500 0.017 0.000 2.313 201 R HA 0.217 4.557 4.340 -0.000 0.000 0.199 201 R C 0.198 176.506 176.300 0.014 0.000 0.958 201 R CA 0.216 56.323 56.100 0.011 0.000 1.047 201 R CB 0.071 30.371 30.300 0.000 0.000 0.955 201 R HN 0.238 nan 8.270 nan 0.000 0.481 202 L N 1.247 122.485 121.223 0.024 0.000 2.334 202 L HA 0.296 4.636 4.340 -0.000 0.000 0.270 202 L C -0.117 176.779 176.870 0.043 0.000 1.018 202 L CA -1.247 53.611 54.840 0.030 0.000 0.811 202 L CB 1.298 43.380 42.059 0.039 0.000 1.271 202 L HN 0.031 nan 8.230 nan 0.000 0.443 203 N N -0.703 118.026 118.700 0.047 0.000 2.430 203 N HA 0.218 4.958 4.740 -0.000 0.000 0.298 203 N C 0.251 175.808 175.510 0.079 0.000 1.130 203 N CA -0.951 52.133 53.050 0.056 0.000 0.894 203 N CB 1.577 40.090 38.487 0.044 0.000 1.209 203 N HN 0.549 nan 8.380 nan 0.000 0.503 204 K N 0.548 121.000 120.400 0.087 0.000 2.103 204 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 204 K C 0.876 177.548 176.600 0.119 0.000 1.048 204 K CA 1.595 57.944 56.287 0.104 0.000 0.930 204 K CB 0.018 32.580 32.500 0.103 0.000 0.716 204 K HN 0.521 nan 8.250 nan 0.000 0.444 205 K N -0.195 120.279 120.400 0.123 0.000 2.026 205 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 205 K C 2.142 178.889 176.600 0.245 0.000 1.048 205 K CA 1.529 57.927 56.287 0.185 0.000 0.929 205 K CB -0.893 31.668 32.500 0.102 0.000 0.713 205 K HN 0.320 nan 8.250 nan 0.000 0.439 206 G N 1.029 109.913 108.800 0.140 0.000 2.402 206 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 206 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 206 G C 1.624 176.647 174.900 0.204 0.000 1.162 206 G CA 0.805 45.989 45.100 0.139 0.000 0.777 206 G HN 0.190 nan 8.290 nan 0.000 0.539 207 I N 1.394 122.068 120.570 0.173 0.000 2.163 207 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 207 I C 3.318 179.532 176.117 0.161 0.000 1.085 207 I CA 1.006 62.423 61.300 0.194 0.000 1.347 207 I CB -0.244 37.842 38.000 0.143 0.000 1.044 207 I HN 0.254 nan 8.210 nan 0.000 0.408 208 A N 0.374 123.260 122.820 0.110 0.000 1.865 208 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 208 A C 2.078 179.633 177.584 -0.048 0.000 1.191 208 A CA 2.063 54.095 52.037 -0.007 0.000 0.623 208 A CB -1.085 17.896 19.000 -0.032 0.000 0.826 208 A HN 0.442 nan 8.150 nan 0.000 0.444 209 H N -2.832 116.281 119.070 0.071 0.000 2.389 209 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 209 H C 1.876 177.290 175.328 0.144 0.000 1.081 209 H CA 1.833 57.934 56.048 0.089 0.000 1.345 209 H CB -0.396 29.414 29.762 0.079 0.000 1.393 209 H HN 0.680 nan 8.280 nan 0.000 0.520 210 Y N 1.978 122.385 120.300 0.177 0.000 2.145 210 Y HA -0.174 4.376 4.550 0.000 0.000 0.286 210 Y C 1.852 177.866 175.900 0.191 0.000 1.145 210 Y CA 1.474 59.679 58.100 0.175 0.000 1.148 210 Y CB -0.136 38.392 38.460 0.114 0.000 0.981 210 Y HN -0.032 nan 8.280 nan 0.000 0.507 211 K N -0.050 120.211 120.400 -0.231 0.000 2.097 211 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 211 K C 2.098 178.587 176.600 -0.186 0.000 1.049 211 K CA 1.803 57.906 56.287 -0.307 0.000 0.933 211 K CB -0.187 32.219 32.500 -0.156 0.000 0.717 211 K HN 0.524 nan 8.250 nan 0.000 0.442 212 Q N -0.035 119.707 119.800 -0.096 0.000 2.079 212 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 212 Q C 1.043 177.038 176.000 -0.008 0.000 0.974 212 Q CA 0.772 56.536 55.803 -0.065 0.000 0.840 212 Q CB -0.195 28.498 28.738 -0.075 0.000 0.898 212 Q HN 0.179 nan 8.270 nan 0.000 0.430 216 S N 1.161 116.826 115.700 -0.058 0.000 2.501 216 S HA 0.301 4.771 4.470 -0.000 0.000 0.220 216 S C 1.450 175.986 174.600 -0.106 0.000 0.997 216 S CA 0.338 58.589 58.200 0.084 0.000 0.919 216 S CB -0.166 63.029 63.200 -0.008 0.000 0.778 216 S HN 0.267 nan 8.310 nan 0.000 0.523 217 L N 1.762 122.812 121.223 -0.288 0.000 2.270 217 L HA 0.399 4.739 4.340 -0.000 0.000 0.210 217 L C -0.071 176.669 176.870 -0.217 0.000 1.104 217 L CA 1.090 55.730 54.840 -0.333 0.000 0.804 217 L CB -0.141 41.639 42.059 -0.466 0.000 0.937 217 L HN 0.430 nan 8.230 nan 0.000 0.450 218 D N -2.299 118.041 120.400 -0.102 0.000 2.542 218 D HA 0.202 4.842 4.640 -0.000 0.000 0.252 218 D C 0.080 176.470 176.300 0.150 0.000 1.222 218 D CA -0.213 53.766 54.000 -0.035 0.000 0.895 218 D CB 0.600 41.374 40.800 -0.043 0.000 1.207 218 D HN 0.223 nan 8.370 nan 0.000 0.558 219 H N 2.431 121.457 119.070 -0.074 0.000 2.542 219 H HA 0.040 4.596 4.556 -0.000 0.000 0.283 219 H C 1.580 176.876 175.328 -0.053 0.000 1.059 219 H CA -0.007 56.007 56.048 -0.058 0.000 1.162 219 H CB 0.833 30.565 29.762 -0.049 0.000 1.539 219 H HN 0.546 nan 8.280 nan 0.000 0.543 220 Q N 0.654 120.483 119.800 0.048 0.000 2.112 220 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 220 Q C 1.627 177.607 176.000 -0.032 0.000 0.987 220 Q CA 1.999 57.799 55.803 -0.004 0.000 0.858 220 Q CB -0.396 28.323 28.738 -0.032 0.000 0.905 220 Q HN 0.229 nan 8.270 nan 0.000 0.420 221 V N 0.980 120.849 119.914 -0.075 0.000 2.379 221 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 221 V C 2.559 178.666 176.094 0.021 0.000 1.044 221 V CA 1.739 63.945 62.300 -0.156 0.000 1.036 221 V CB -0.453 31.161 31.823 -0.348 0.000 0.664 221 V HN 0.525 nan 8.190 nan 0.000 0.453 222 S N -0.111 115.602 115.700 0.021 0.000 2.356 222 S HA -0.250 4.220 4.470 -0.000 0.000 0.223 222 S C 2.226 176.826 174.600 0.001 0.000 1.032 222 S CA 1.946 60.161 58.200 0.026 0.000 1.005 222 S CB -0.330 62.828 63.200 -0.070 0.000 0.867 222 S HN 0.557 nan 8.310 nan 0.000 0.449 223 R N 0.336 120.843 120.500 0.012 0.000 2.148 223 R HA 0.072 4.412 4.340 -0.000 0.000 0.227 223 R C 1.944 178.235 176.300 -0.016 0.000 1.103 223 R CA 1.269 57.372 56.100 0.005 0.000 0.983 223 R CB -0.433 29.884 30.300 0.030 0.000 0.874 223 R HN 0.431 nan 8.270 nan 0.000 0.451 224 A N 0.495 123.310 122.820 -0.008 0.000 2.178 224 A HA 0.002 4.322 4.320 -0.000 0.000 0.211 224 A C 1.843 179.384 177.584 -0.072 0.000 1.157 224 A CA 0.393 52.427 52.037 -0.006 0.000 0.780 224 A CB -0.242 18.777 19.000 0.032 0.000 0.828 224 A HN 0.346 nan 8.150 nan 0.000 0.476 225 K N 0.440 120.721 120.400 -0.198 0.000 2.015 225 K HA -0.232 4.088 4.320 -0.000 0.000 0.216 225 K C 2.143 178.495 176.600 -0.414 0.000 1.052 225 K CA 1.697 57.595 56.287 -0.648 0.000 0.937 225 K CB -0.384 31.739 32.500 -0.627 0.000 0.719 225 K HN 0.360 nan 8.250 nan 0.000 0.446 226 A N 0.495 123.180 122.820 -0.225 0.000 1.883 226 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 226 A C 2.237 179.767 177.584 -0.091 0.000 1.186 226 A CA 2.462 54.414 52.037 -0.141 0.000 0.624 226 A CB -1.204 17.743 19.000 -0.089 0.000 0.822 226 A HN 0.545 nan 8.150 nan 0.000 0.444 227 T N 0.416 114.935 114.554 -0.060 0.000 2.720 227 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 227 T C 2.196 176.905 174.700 0.015 0.000 1.037 227 T CA 1.706 63.801 62.100 -0.009 0.000 1.144 227 T CB -0.517 68.357 68.868 0.010 0.000 0.864 227 T HN 0.620 nan 8.240 nan 0.000 0.444 228 A N 1.350 124.170 122.820 -0.000 0.000 1.877 228 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 228 A C 2.328 179.925 177.584 0.022 0.000 1.186 228 A CA 1.184 53.258 52.037 0.061 0.000 0.620 228 A CB -0.877 18.204 19.000 0.135 0.000 0.822 228 A HN 0.472 nan 8.150 nan 0.000 0.443 229 L N -0.807 120.373 121.223 -0.072 0.000 2.141 229 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 229 L C 2.684 179.541 176.870 -0.022 0.000 1.094 229 L CA 1.611 56.414 54.840 -0.061 0.000 0.763 229 L CB -0.753 41.229 42.059 -0.129 0.000 0.908 229 L HN 0.338 nan 8.230 nan 0.000 0.437 230 T N -0.266 114.278 114.554 -0.017 0.000 2.857 230 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 230 T C 1.988 176.707 174.700 0.031 0.000 1.048 230 T CA 1.186 63.289 62.100 0.005 0.000 1.139 230 T CB -0.058 68.813 68.868 0.004 0.000 0.874 230 T HN 0.430 nan 8.240 nan 0.000 0.455 231 A N 1.866 124.714 122.820 0.047 0.000 1.969 231 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 231 A C 2.236 179.816 177.584 -0.006 0.000 1.169 231 A CA 1.312 53.384 52.037 0.058 0.000 0.635 231 A CB -0.663 18.416 19.000 0.132 0.000 0.810 231 A HN 0.512 nan 8.150 nan 0.000 0.445 232 N N -0.353 118.364 118.700 0.030 0.000 2.039 232 N HA -0.129 4.611 4.740 -0.000 0.000 0.193 232 N C 0.719 176.355 175.510 0.210 0.000 1.044 232 N CA 0.955 54.075 53.050 0.117 0.000 0.847 232 N CB -0.174 38.368 38.487 0.092 0.000 1.030 232 N HN 0.454 nan 8.380 nan 0.000 0.422 233 Q N 0.983 120.849 119.800 0.109 0.000 2.697 233 Q HA 0.081 4.420 4.340 -0.000 0.000 0.196 233 Q C -0.194 175.862 176.000 0.092 0.000 1.121 233 Q CA 0.161 56.027 55.803 0.106 0.000 1.151 233 Q CB -0.019 28.744 28.738 0.043 0.000 1.250 233 Q HN 0.291 nan 8.270 nan 0.000 0.658 237 S N -0.414 115.362 115.700 0.127 0.000 2.618 237 S HA 0.153 4.623 4.470 -0.000 0.000 0.242 237 S C -0.234 174.391 174.600 0.042 0.000 0.972 237 S CA -0.294 57.952 58.200 0.077 0.000 1.004 237 S CB -0.158 63.080 63.200 0.063 0.000 0.778 237 S HN 0.226 nan 8.310 nan 0.000 0.459 238 D N 1.640 122.054 120.400 0.023 0.000 2.349 238 D HA 0.338 4.978 4.640 -0.000 0.000 0.232 238 D C -2.074 174.233 176.300 0.010 0.000 1.071 238 D CA -2.122 51.884 54.000 0.009 0.000 0.832 238 D CB 2.222 43.017 40.800 -0.009 0.000 1.086 238 D HN -0.061 nan 8.370 nan 0.000 0.504 239 P HA -0.201 nan 4.420 nan 0.000 0.214 239 P C 1.164 178.474 177.300 0.017 0.000 1.169 239 P CA 1.640 64.751 63.100 0.018 0.000 0.908 239 P CB 0.423 32.133 31.700 0.016 0.000 0.791 240 Q N -0.809 119.000 119.800 0.014 0.000 2.014 240 Q HA -0.204 4.136 4.340 -0.000 0.000 0.207 240 Q C 2.106 178.118 176.000 0.019 0.000 0.993 240 Q CA 1.865 57.678 55.803 0.016 0.000 0.850 240 Q CB -0.902 27.844 28.738 0.014 0.000 0.916 240 Q HN 0.231 nan 8.270 nan 0.000 0.417 241 N N 0.469 119.173 118.700 0.006 0.000 2.037 241 N HA -0.150 4.590 4.740 -0.000 0.000 0.196 241 N C 0.454 175.969 175.510 0.010 0.000 1.034 241 N CA 1.059 54.106 53.050 -0.005 0.000 0.861 241 N CB -0.348 38.091 38.487 -0.080 0.000 1.039 241 N HN 0.410 nan 8.380 nan 0.000 0.427 245 I N 1.364 122.002 120.570 0.113 0.000 2.406 245 I HA 0.477 4.647 4.170 -0.000 0.000 0.249 245 I C 3.110 179.254 176.117 0.045 0.000 1.122 245 I CA 2.232 63.559 61.300 0.045 0.000 1.431 245 I CB -1.364 36.632 38.000 -0.007 0.000 1.087 245 I HN 0.558 nan 8.210 nan 0.000 0.424 246 I N 0.975 121.575 120.570 0.049 0.000 2.133 246 I HA -0.067 4.103 4.170 -0.000 0.000 0.238 246 I C 3.003 179.148 176.117 0.047 0.000 1.074 246 I CA 3.400 64.724 61.300 0.039 0.000 1.342 246 I CB -2.024 35.997 38.000 0.035 0.000 1.053 246 I HN 0.702 nan 8.210 nan 0.000 0.404 247 R N -0.412 120.123 120.500 0.057 0.000 2.117 247 R HA -0.208 4.132 4.340 -0.000 0.000 0.243 247 R C 2.574 178.917 176.300 0.070 0.000 1.143 247 R CA 3.228 59.362 56.100 0.056 0.000 0.968 247 R CB -2.421 27.911 30.300 0.054 0.000 0.863 247 R HN 1.577 nan 8.270 nan 0.000 0.444 248 Y N -0.703 119.662 120.300 0.108 0.000 2.153 248 Y HA 0.308 4.858 4.550 -0.000 0.000 0.289 248 Y C 3.111 179.064 175.900 0.088 0.000 1.127 248 Y CA 1.709 59.893 58.100 0.140 0.000 1.131 248 Y CB -1.003 37.634 38.460 0.294 0.000 0.995 248 Y HN 0.473 nan 8.280 nan 0.000 0.505 249 V N 0.456 120.405 119.914 0.058 0.000 3.026 249 V HA 0.132 4.252 4.120 -0.000 0.000 0.265 249 V C 1.616 177.727 176.094 0.028 0.000 1.121 249 V CA 3.169 65.486 62.300 0.029 0.000 1.142 249 V CB -1.581 30.247 31.823 0.008 0.000 0.730 249 V HN 0.787 nan 8.190 nan 0.000 0.503 250 E N -1.494 118.727 120.200 0.034 0.000 2.562 250 E HA 0.551 4.901 4.350 -0.000 0.000 0.214 250 E C 0.945 177.562 176.600 0.029 0.000 0.979 250 E CA 1.744 58.160 56.400 0.027 0.000 1.002 250 E CB -0.148 29.566 29.700 0.023 0.000 1.048 250 E HN 1.117 nan 8.360 nan 0.000 0.488 251 T N -1.881 112.696 114.554 0.038 0.000 2.622 251 T HA 0.627 4.977 4.350 -0.000 0.000 0.225 251 T C 0.931 175.657 174.700 0.043 0.000 1.092 251 T CA 0.229 62.350 62.100 0.035 0.000 1.242 251 T CB 0.085 68.971 68.868 0.031 0.000 1.927 251 T HN 0.789 nan 8.240 nan 0.000 0.428 252 G N 0.160 108.984 108.800 0.041 0.000 2.521 252 G HA2 0.681 4.641 3.960 -0.000 0.000 0.323 252 G HA3 0.681 4.641 3.960 -0.000 0.000 0.323 252 G C 0.245 175.179 174.900 0.057 0.000 1.211 252 G CA 0.947 46.072 45.100 0.041 0.000 0.979 252 G HN 1.179 nan 8.290 nan 0.000 0.490 253 Q N -1.930 117.898 119.800 0.046 0.000 2.386 253 Q HA 0.460 4.800 4.340 -0.000 0.000 0.282 253 Q C 0.502 176.467 176.000 -0.059 0.000 1.050 253 Q CA 0.103 55.920 55.803 0.023 0.000 0.918 253 Q CB -0.652 28.068 28.738 -0.030 0.000 1.266 253 Q HN 1.888 nan 8.270 nan 0.000 0.423 254 F N 0.725 120.579 119.950 -0.160 0.000 2.572 254 F HA 0.553 5.080 4.527 -0.000 0.000 0.370 254 F C 0.265 175.948 175.800 -0.195 0.000 1.103 254 F CA -1.447 56.451 58.000 -0.169 0.000 1.286 254 F CB -1.523 37.324 39.000 -0.254 0.000 1.105 254 F HN 1.174 nan 8.300 nan 0.000 0.583 255 P HA 0.000 nan 4.420 nan 0.000 0.216 255 P CA 0.000 63.042 63.100 -0.096 0.000 0.800 255 P CB 0.000 31.660 31.700 -0.066 0.000 0.726