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 1t0o_1_A DATA FIRST_RESID 1 DATA SEQUENCE IVMPDGVTGK VPSLGWNSWN AYHcDIDESK FLSAAELIVS SGLLDAGYNY DATA SEQUENCE VNIDDcWSMK DGRVDGHIAP NATRFPDGID GLAKKVHALG LKLGIYSTAG DATA SEQUENCE TATcAGYPAS LGYEDVDAAD FADWGVDYLK YDNcNVPSDW QDEYVAcNPD DATA SEQUENCE FVKTGPNGTc TTALDPTLAP PGYDWSTSKS AERFGAMRNA LAKQSHEIVL DATA SEQUENCE SMCIWGQADV FSWGNSTGIS WRMSDDISPN WGSVTRILNL NSFKLNSVDF DATA SEQUENCE WGHNDADMLE VGNGNLTAAE TRTHFALWAA MKSPLLIGTD LAQLSQNNIN DATA SEQUENCE LLKNKHLLAF NQDSVYGQPA TPYKWGINPD WTFNVTYPAE FWAGPSSKGH DATA SEQUENCE LVLMVNTLDI TATKEAKWNE IPGLSAGHYE VRDVWSDKDL GcLSSYKAAV DATA SEQUENCE AAHDTAVILV GKKcQRW 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 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.041 176.117 -0.126 0.000 1.063 1 I CA 0.000 61.346 61.300 0.076 0.000 1.566 1 I CB 0.000 38.034 38.000 0.056 0.000 1.214 2 V N 5.816 125.387 119.914 -0.571 0.000 2.614 2 V HA 0.370 4.575 4.120 0.142 0.000 0.291 2 V C 0.363 175.941 176.094 -0.860 0.000 1.049 2 V CA -0.398 61.019 62.300 -1.471 0.000 1.038 2 V CB 0.897 31.979 31.823 -1.235 0.000 0.980 2 V HN 0.508 nan 8.190 nan 0.000 0.481 3 M N 4.583 123.618 119.600 -0.942 0.000 2.478 3 M HA 0.397 4.962 4.480 0.142 0.000 0.327 3 M C -1.569 174.604 176.300 -0.212 0.000 1.187 3 M CA -2.625 52.509 55.300 -0.276 0.000 1.022 3 M CB 1.054 33.690 32.600 0.061 0.000 1.629 3 M HN 0.304 nan 8.290 nan 0.000 0.461 4 P HA -0.166 nan 4.420 nan 0.000 0.218 4 P C 0.633 177.917 177.300 -0.027 0.000 1.148 4 P CA 1.316 64.370 63.100 -0.076 0.000 0.822 4 P CB -0.024 31.645 31.700 -0.052 0.000 0.784 5 D N -1.185 119.225 120.400 0.017 0.000 2.363 5 D HA -0.003 4.723 4.640 0.142 0.000 0.226 5 D C 1.497 177.857 176.300 0.099 0.000 1.020 5 D CA 0.891 54.919 54.000 0.047 0.000 0.892 5 D CB -1.111 39.717 40.800 0.046 0.000 0.900 5 D HN 0.229 nan 8.370 nan 0.000 0.531 6 G N -0.181 108.706 108.800 0.146 0.000 2.189 6 G HA2 -0.342 3.704 3.960 0.142 0.000 0.267 6 G HA3 -0.342 3.704 3.960 0.142 0.000 0.267 6 G C 0.980 176.142 174.900 0.437 0.000 0.975 6 G CA 1.653 46.909 45.100 0.261 0.000 0.644 6 G HN 1.095 nan 8.290 nan 0.000 0.537 7 V N -4.781 115.359 119.914 0.378 0.000 3.193 7 V HA 0.414 4.620 4.120 0.142 0.000 0.237 7 V C 1.051 177.188 176.094 0.072 0.000 1.447 7 V CA 1.213 63.593 62.300 0.133 0.000 1.227 7 V CB 0.142 31.983 31.823 0.030 0.000 1.040 7 V HN 0.301 nan 8.190 nan 0.000 0.458 8 T N 3.049 117.733 114.554 0.216 0.000 2.761 8 T HA 0.493 4.928 4.350 0.142 0.000 0.287 8 T C 1.207 176.076 174.700 0.282 0.000 0.931 8 T CA 1.329 63.549 62.100 0.201 0.000 1.164 8 T CB 0.053 69.036 68.868 0.193 0.000 0.876 8 T HN 1.569 nan 8.240 nan 0.000 0.534 9 G N 3.481 112.363 108.800 0.137 0.000 2.176 9 G HA2 -0.272 3.773 3.960 0.142 0.000 0.232 9 G HA3 -0.272 3.773 3.960 0.142 0.000 0.232 9 G C 0.940 175.785 174.900 -0.092 0.000 0.986 9 G CA 0.495 45.678 45.100 0.137 0.000 0.643 9 G HN 0.692 nan 8.290 nan 0.000 0.522 10 K N 0.423 120.412 120.400 -0.686 0.000 2.025 10 K HA 0.228 4.633 4.320 0.142 0.000 0.207 10 K C 1.599 178.015 176.600 -0.306 0.000 1.049 10 K CA 1.726 57.240 56.287 -1.289 0.000 0.933 10 K CB -0.143 31.375 32.500 -1.636 0.000 0.714 10 K HN 0.949 nan 8.250 nan 0.000 0.438 11 V N -1.140 118.665 119.914 -0.181 0.000 3.096 11 V HA 0.479 4.684 4.120 0.142 0.000 0.319 11 V C -2.709 173.242 176.094 -0.238 0.000 1.082 11 V CA -2.818 59.427 62.300 -0.092 0.000 1.022 11 V CB 1.115 32.888 31.823 -0.084 0.000 1.103 11 V HN -0.005 nan 8.190 nan 0.000 0.455 12 P HA 0.173 nan 4.420 nan 0.000 0.266 12 P C -0.251 176.951 177.300 -0.163 0.000 1.195 12 P CA 0.360 63.176 63.100 -0.475 0.000 0.768 12 P CB 0.277 31.668 31.700 -0.516 0.000 0.838 13 S N 2.330 117.995 115.700 -0.057 0.000 2.562 13 S HA 0.229 4.784 4.470 0.142 0.000 0.281 13 S C 0.116 174.753 174.600 0.061 0.000 1.333 13 S CA -0.164 58.076 58.200 0.067 0.000 1.052 13 S CB -0.193 63.029 63.200 0.037 0.000 0.884 13 S HN 0.247 nan 8.310 nan 0.000 0.506 14 L N 2.092 123.411 121.223 0.160 0.000 2.385 14 L HA 0.809 5.234 4.340 0.142 0.000 0.273 14 L C 0.609 177.671 176.870 0.321 0.000 0.990 14 L CA -0.436 54.460 54.840 0.093 0.000 0.821 14 L CB 1.794 43.708 42.059 -0.243 0.000 1.279 14 L HN 0.907 nan 8.230 nan 0.000 0.412 15 G N 1.223 110.288 108.800 0.443 0.000 2.512 15 G HA2 0.269 4.315 3.960 0.142 0.000 0.186 15 G HA3 0.269 4.315 3.960 0.142 0.000 0.186 15 G C -2.817 172.361 174.900 0.464 0.000 1.189 15 G CA -0.445 44.944 45.100 0.482 0.000 0.994 15 G HN 0.515 nan 8.290 nan 0.000 0.506 16 W N 0.979 122.375 121.300 0.161 0.000 3.129 16 W HA 0.708 5.455 4.660 0.145 0.000 0.333 16 W C -1.211 175.379 176.519 0.118 0.000 1.141 16 W CA -0.669 56.739 57.345 0.106 0.000 1.224 16 W CB 1.905 31.413 29.460 0.078 0.000 1.393 16 W HN 0.732 nan 8.180 nan 0.000 0.499 17 N N 1.856 120.130 118.700 -0.709 0.000 2.249 17 N HA 0.295 5.120 4.740 0.142 0.000 0.296 17 N C 0.606 175.413 175.510 -1.171 0.000 1.051 17 N CA -0.038 52.688 53.050 -0.540 0.000 0.815 17 N CB 2.151 40.522 38.487 -0.194 0.000 1.487 17 N HN 0.334 nan 8.380 nan 0.000 0.475 18 S N 2.936 118.277 115.700 -0.598 0.000 2.447 18 S HA -0.128 4.427 4.470 0.142 0.000 0.233 18 S C 1.542 176.003 174.600 -0.232 0.000 1.006 18 S CA -0.045 57.912 58.200 -0.404 0.000 0.957 18 S CB -0.500 62.843 63.200 0.239 0.000 0.773 18 S HN 0.761 nan 8.310 nan 0.000 0.507 19 W N 3.161 124.265 121.300 -0.325 0.000 2.311 19 W HA -0.207 4.538 4.660 0.142 0.000 0.326 19 W C 1.350 177.490 176.519 -0.632 0.000 1.239 19 W CA 1.820 58.956 57.345 -0.349 0.000 1.258 19 W CB -0.597 28.728 29.460 -0.225 0.000 1.165 19 W HN 0.336 nan 8.180 nan 0.000 0.466 20 N N 0.489 118.896 118.700 -0.489 0.000 2.453 20 N HA -0.096 4.729 4.740 0.142 0.000 0.183 20 N C 1.573 176.721 175.510 -0.603 0.000 1.041 20 N CA 1.511 54.207 53.050 -0.589 0.000 0.900 20 N CB -0.698 37.637 38.487 -0.253 0.000 0.961 20 N HN 0.208 nan 8.380 nan 0.000 0.443 21 A N -0.417 122.018 122.820 -0.642 0.000 1.861 21 A HA 0.038 4.443 4.320 0.142 0.000 0.212 21 A C 1.139 178.241 177.584 -0.803 0.000 1.199 21 A CA 0.854 52.437 52.037 -0.756 0.000 0.613 21 A CB -0.297 18.132 19.000 -0.952 0.000 0.846 21 A HN 0.351 nan 8.150 nan 0.000 0.446 22 Y N -2.392 117.752 120.300 -0.259 0.000 2.471 22 Y HA 0.195 4.830 4.550 0.142 0.000 0.249 22 Y C 1.078 176.852 175.900 -0.209 0.000 1.116 22 Y CA -0.328 57.677 58.100 -0.158 0.000 1.240 22 Y CB 0.239 38.648 38.460 -0.084 0.000 1.251 22 Y HN 0.357 nan 8.280 nan 0.000 0.527 23 H N -0.988 117.798 119.070 -0.473 0.000 1.452 23 H HA -0.409 4.232 4.556 0.141 0.000 0.090 23 H C 1.459 176.596 175.328 -0.318 0.000 0.968 23 H CA 1.299 56.726 56.048 -1.035 0.000 1.901 23 H CB -1.177 27.961 29.762 -1.039 0.000 2.257 23 H HN 0.417 nan 8.280 nan 0.000 0.961 24 c N 2.029 120.629 118.600 -0.001 0.000 2.576 24 c HA 0.006 4.662 4.570 0.142 0.000 0.267 24 c C 0.980 175.171 174.090 0.168 0.000 1.364 24 c CA 0.642 57.097 56.329 0.211 0.000 1.723 24 c CB -1.352 41.312 42.510 0.257 0.000 1.778 24 c HN 0.415 nan 8.230 nan 0.000 0.572 25 D N 1.477 121.950 120.400 0.121 0.000 2.518 25 D HA 0.362 5.087 4.640 0.142 0.000 0.230 25 D C -0.119 176.198 176.300 0.029 0.000 1.138 25 D CA -0.108 53.939 54.000 0.079 0.000 0.964 25 D CB -0.301 40.532 40.800 0.054 0.000 1.011 25 D HN 0.624 nan 8.370 nan 0.000 0.517 26 I N -0.670 119.938 120.570 0.063 0.000 2.892 26 I HA 0.823 5.079 4.170 0.142 0.000 0.306 26 I C -1.099 174.993 176.117 -0.042 0.000 1.078 26 I CA -1.011 60.299 61.300 0.016 0.000 1.032 26 I CB 2.445 40.622 38.000 0.295 0.000 1.229 26 I HN -0.018 nan 8.210 nan 0.000 0.435 27 D N 0.718 121.012 120.400 -0.176 0.000 2.692 27 D HA 0.157 4.882 4.640 0.142 0.000 0.303 27 D C 0.263 176.336 176.300 -0.378 0.000 1.278 27 D CA -0.659 53.077 54.000 -0.441 0.000 0.852 27 D CB 0.937 41.547 40.800 -0.316 0.000 1.375 27 D HN 0.713 nan 8.370 nan 0.000 0.453 28 E N -0.203 119.658 120.200 -0.564 0.000 2.058 28 E HA -0.251 4.185 4.350 0.142 0.000 0.194 28 E C 1.645 178.268 176.600 0.038 0.000 0.997 28 E CA 2.161 58.499 56.400 -0.103 0.000 0.801 28 E CB -0.076 29.585 29.700 -0.066 0.000 0.746 28 E HN 0.474 nan 8.360 nan 0.000 0.450 29 S N 0.531 116.177 115.700 -0.091 0.000 2.383 29 S HA -0.197 4.358 4.470 0.142 0.000 0.229 29 S C 1.792 176.308 174.600 -0.141 0.000 1.030 29 S CA 1.343 59.486 58.200 -0.096 0.000 1.002 29 S CB -0.296 62.832 63.200 -0.120 0.000 0.829 29 S HN 0.213 nan 8.310 nan 0.000 0.467 30 K N 0.044 120.296 120.400 -0.247 0.000 2.147 30 K HA 0.035 4.440 4.320 0.142 0.000 0.205 30 K C 1.557 177.913 176.600 -0.406 0.000 1.049 30 K CA 1.436 57.471 56.287 -0.419 0.000 0.936 30 K CB -0.315 31.724 32.500 -0.769 0.000 0.722 30 K HN 0.473 nan 8.250 nan 0.000 0.446 31 F N 0.665 120.595 119.950 -0.034 0.000 2.270 31 F HA 0.014 4.626 4.527 0.141 0.000 0.295 31 F C 1.954 177.691 175.800 -0.105 0.000 1.087 31 F CA 0.555 58.543 58.000 -0.020 0.000 1.365 31 F CB -0.253 38.835 39.000 0.147 0.000 1.056 31 F HN -0.126 nan 8.300 nan 0.000 0.506 32 L N -0.297 120.973 121.223 0.077 0.000 2.056 32 L HA -0.192 4.233 4.340 0.142 0.000 0.207 32 L C 2.700 179.526 176.870 -0.074 0.000 1.078 32 L CA 1.559 56.402 54.840 0.004 0.000 0.749 32 L CB -0.820 41.240 42.059 0.001 0.000 0.901 32 L HN 0.251 nan 8.230 nan 0.000 0.433 33 S N 0.191 115.819 115.700 -0.121 0.000 2.355 33 S HA -0.155 4.401 4.470 0.142 0.000 0.222 33 S C 2.240 176.699 174.600 -0.235 0.000 1.031 33 S CA 0.786 58.895 58.200 -0.151 0.000 0.993 33 S CB -0.510 62.606 63.200 -0.140 0.000 0.859 33 S HN 0.316 nan 8.310 nan 0.000 0.453 34 A N 2.470 125.053 122.820 -0.395 0.000 1.903 34 A HA 0.049 4.454 4.320 0.142 0.000 0.219 34 A C 2.584 179.909 177.584 -0.432 0.000 1.191 34 A CA 2.452 54.074 52.037 -0.691 0.000 0.638 34 A CB -1.653 16.480 19.000 -1.446 0.000 0.823 34 A HN 1.019 nan 8.150 nan 0.000 0.451 35 A N -0.915 121.758 122.820 -0.246 0.000 1.873 35 A HA -0.102 4.303 4.320 0.142 0.000 0.215 35 A C 1.924 179.450 177.584 -0.097 0.000 1.186 35 A CA 1.704 53.671 52.037 -0.117 0.000 0.616 35 A CB -0.437 18.540 19.000 -0.038 0.000 0.823 35 A HN 0.433 nan 8.150 nan 0.000 0.442 36 E N 0.192 120.333 120.200 -0.099 0.000 2.118 36 E HA -0.149 4.286 4.350 0.142 0.000 0.195 36 E C 1.990 178.539 176.600 -0.084 0.000 0.992 36 E CA 0.987 57.342 56.400 -0.075 0.000 0.804 36 E CB -0.478 29.180 29.700 -0.070 0.000 0.741 36 E HN 0.673 nan 8.360 nan 0.000 0.458 37 L N 0.021 121.169 121.223 -0.124 0.000 2.109 37 L HA -0.049 4.376 4.340 0.142 0.000 0.207 37 L C 2.464 179.266 176.870 -0.114 0.000 1.086 37 L CA 0.435 55.200 54.840 -0.124 0.000 0.760 37 L CB -0.235 41.728 42.059 -0.159 0.000 0.910 37 L HN 0.067 nan 8.230 nan 0.000 0.437 38 I N -0.943 119.549 120.570 -0.130 0.000 2.264 38 I HA -0.287 3.968 4.170 0.142 0.000 0.248 38 I C 2.339 178.437 176.117 -0.031 0.000 1.111 38 I CA 1.075 62.328 61.300 -0.078 0.000 1.382 38 I CB -0.123 37.849 38.000 -0.047 0.000 1.060 38 I HN 0.009 nan 8.210 nan 0.000 0.418 39 V N 0.290 120.184 119.914 -0.033 0.000 2.283 39 V HA -0.237 3.968 4.120 0.142 0.000 0.243 39 V C 2.550 178.632 176.094 -0.019 0.000 1.039 39 V CA 2.173 64.464 62.300 -0.015 0.000 1.016 39 V CB -0.617 31.197 31.823 -0.015 0.000 0.650 39 V HN 0.602 nan 8.190 nan 0.000 0.449 40 S N 0.755 116.435 115.700 -0.033 0.000 2.428 40 S HA -0.129 4.427 4.470 0.142 0.000 0.230 40 S C 1.987 176.568 174.600 -0.032 0.000 1.014 40 S CA 1.265 59.447 58.200 -0.031 0.000 0.957 40 S CB -0.514 62.664 63.200 -0.038 0.000 0.784 40 S HN 0.684 nan 8.310 nan 0.000 0.499 41 S N 0.516 116.190 115.700 -0.042 0.000 2.561 41 S HA 0.361 4.916 4.470 0.142 0.000 0.225 41 S C 1.692 176.275 174.600 -0.027 0.000 0.977 41 S CA 0.633 58.806 58.200 -0.044 0.000 0.926 41 S CB -0.848 62.312 63.200 -0.068 0.000 0.769 41 S HN 1.554 nan 8.310 nan 0.000 0.533 42 G N 0.950 109.743 108.800 -0.011 0.000 2.159 42 G HA2 -0.261 3.785 3.960 0.142 0.000 0.256 42 G HA3 -0.261 3.785 3.960 0.142 0.000 0.256 42 G C 0.570 175.495 174.900 0.042 0.000 0.977 42 G CA 0.419 45.526 45.100 0.011 0.000 0.652 42 G HN 0.515 nan 8.290 nan 0.000 0.531 43 L N -0.647 120.596 121.223 0.033 0.000 2.083 43 L HA -0.005 4.420 4.340 0.142 0.000 0.209 43 L C 2.810 179.812 176.870 0.220 0.000 1.083 43 L CA 1.640 56.541 54.840 0.102 0.000 0.752 43 L CB -0.412 41.613 42.059 -0.056 0.000 0.899 43 L HN 0.390 nan 8.230 nan 0.000 0.433 44 L N -0.002 121.297 121.223 0.126 0.000 1.989 44 L HA -0.254 4.171 4.340 0.142 0.000 0.211 44 L C 2.092 179.016 176.870 0.089 0.000 1.071 44 L CA 1.963 56.870 54.840 0.112 0.000 0.749 44 L CB -0.775 41.319 42.059 0.058 0.000 0.890 44 L HN 0.214 nan 8.230 nan 0.000 0.431 45 D N 0.085 120.524 120.400 0.065 0.000 2.158 45 D HA -0.210 4.516 4.640 0.142 0.000 0.197 45 D C 2.135 178.469 176.300 0.057 0.000 0.995 45 D CA 1.603 55.630 54.000 0.045 0.000 0.846 45 D CB -0.220 40.599 40.800 0.032 0.000 0.941 45 D HN 0.557 nan 8.370 nan 0.000 0.456 46 A N -0.437 122.446 122.820 0.105 0.000 2.067 46 A HA 0.210 4.615 4.320 0.142 0.000 0.219 46 A C 1.956 179.571 177.584 0.051 0.000 1.158 46 A CA 2.059 54.169 52.037 0.122 0.000 0.661 46 A CB -0.061 19.086 19.000 0.246 0.000 0.801 46 A HN 0.363 nan 8.150 nan 0.000 0.452 47 G N -3.385 105.446 108.800 0.052 0.000 2.485 47 G HA2 -0.139 3.907 3.960 0.142 0.000 0.181 47 G HA3 -0.139 3.907 3.960 0.142 0.000 0.181 47 G C -0.051 174.811 174.900 -0.062 0.000 0.999 47 G CA -0.161 44.905 45.100 -0.058 0.000 0.721 47 G HN 0.311 nan 8.290 nan 0.000 0.486 48 Y N 2.995 123.341 120.300 0.076 0.000 2.624 48 Y HA 0.330 4.965 4.550 0.141 0.000 0.354 48 Y C 1.446 177.395 175.900 0.081 0.000 1.051 48 Y CA 0.316 58.482 58.100 0.109 0.000 1.377 48 Y CB 0.504 39.038 38.460 0.124 0.000 1.168 48 Y HN 0.354 nan 8.280 nan 0.000 0.525 49 N N 0.773 119.569 118.700 0.159 0.000 2.171 49 N HA -0.002 4.823 4.740 0.142 0.000 0.212 49 N C -1.008 174.465 175.510 -0.061 0.000 1.184 49 N CA -0.177 52.885 53.050 0.020 0.000 0.888 49 N CB 0.052 38.481 38.487 -0.098 0.000 1.038 49 N HN 0.362 nan 8.380 nan 0.000 0.517 50 Y N 0.648 121.023 120.300 0.125 0.000 2.320 50 Y HA 0.478 5.114 4.550 0.144 0.000 0.334 50 Y C 0.090 176.081 175.900 0.152 0.000 1.055 50 Y CA -0.845 57.304 58.100 0.082 0.000 1.143 50 Y CB 1.987 40.407 38.460 -0.067 0.000 1.193 50 Y HN -0.262 nan 8.280 nan 0.000 0.477 51 V N 4.890 124.982 119.914 0.297 0.000 2.328 51 V HA 0.328 4.533 4.120 0.142 0.000 0.278 51 V C -0.736 175.562 176.094 0.341 0.000 1.021 51 V CA -0.885 61.646 62.300 0.385 0.000 0.838 51 V CB 0.781 32.769 31.823 0.275 0.000 0.999 51 V HN 0.687 nan 8.190 nan 0.000 0.447 52 N N 4.800 123.740 118.700 0.400 0.000 2.417 52 N HA 0.554 5.379 4.740 0.142 0.000 0.274 52 N C -0.541 175.153 175.510 0.308 0.000 0.987 52 N CA -0.402 52.758 53.050 0.183 0.000 0.912 52 N CB 2.130 40.594 38.487 -0.039 0.000 1.177 52 N HN 0.524 nan 8.380 nan 0.000 0.490 53 I N 1.119 121.720 120.570 0.053 0.000 2.441 53 I HA 0.090 4.345 4.170 0.142 0.000 0.287 53 I C 0.976 177.202 176.117 0.182 0.000 1.049 53 I CA -0.088 61.236 61.300 0.040 0.000 1.381 53 I CB 0.716 38.416 38.000 -0.501 0.000 1.409 53 I HN 0.450 nan 8.210 nan 0.000 0.523 54 D N 3.695 124.276 120.400 0.302 0.000 2.440 54 D HA 0.102 4.828 4.640 0.142 0.000 0.282 54 D C -0.173 176.108 176.300 -0.032 0.000 1.189 54 D CA -0.309 53.758 54.000 0.112 0.000 1.105 54 D CB 0.565 41.426 40.800 0.101 0.000 1.173 54 D HN 0.445 nan 8.370 nan 0.000 0.577 55 D N -1.137 118.893 120.400 -0.617 0.000 2.368 55 D HA 0.075 4.800 4.640 0.142 0.000 0.240 55 D C -0.044 176.185 176.300 -0.118 0.000 1.169 55 D CA 0.100 53.756 54.000 -0.574 0.000 0.906 55 D CB 0.530 40.862 40.800 -0.781 0.000 1.187 55 D HN 0.562 nan 8.370 nan 0.000 0.435 56 c N 1.428 119.711 118.600 -0.528 0.000 4.683 56 c HA -0.105 4.550 4.570 0.142 0.000 0.262 56 c C 1.559 175.478 174.090 -0.284 0.000 1.190 56 c CA -0.034 55.749 56.329 -0.909 0.000 1.864 56 c CB -2.396 39.985 42.510 -0.214 0.000 1.491 56 c HN 0.804 nan 8.230 nan 0.000 0.695 57 W N 1.876 123.113 121.300 -0.105 0.000 2.942 57 W HA 0.329 5.074 4.660 0.141 0.000 0.263 57 W C 0.718 177.349 176.519 0.186 0.000 1.296 57 W CA 0.873 58.319 57.345 0.169 0.000 1.504 57 W CB -0.994 28.440 29.460 -0.044 0.000 1.096 57 W HN 0.637 nan 8.180 nan 0.000 0.639 58 S N 1.175 116.574 115.700 -0.501 0.000 2.745 58 S HA 0.518 5.073 4.470 0.142 0.000 0.292 58 S C 0.253 174.905 174.600 0.087 0.000 1.133 58 S CA -0.779 57.163 58.200 -0.430 0.000 0.998 58 S CB 1.397 63.989 63.200 -1.013 0.000 1.087 58 S HN -0.047 nan 8.310 nan 0.000 0.551 59 M N 1.794 121.431 119.600 0.062 0.000 2.227 59 M HA 0.173 4.738 4.480 0.142 0.000 0.349 59 M C 1.220 177.538 176.300 0.030 0.000 1.443 59 M CA 0.184 55.536 55.300 0.087 0.000 1.110 59 M CB 0.464 33.103 32.600 0.065 0.000 1.773 59 M HN 0.992 nan 8.290 nan 0.000 0.463 60 K N 2.307 122.676 120.400 -0.051 0.000 2.288 60 K HA -0.146 4.259 4.320 0.142 0.000 0.201 60 K C 0.621 177.082 176.600 -0.232 0.000 1.048 60 K CA 1.468 57.538 56.287 -0.363 0.000 0.956 60 K CB 0.310 32.400 32.500 -0.683 0.000 0.746 60 K HN 0.639 nan 8.250 nan 0.000 0.461 61 D N -0.704 119.626 120.400 -0.117 0.000 2.349 61 D HA 0.126 4.851 4.640 0.142 0.000 0.224 61 D C 0.638 176.904 176.300 -0.057 0.000 1.029 61 D CA 0.439 54.390 54.000 -0.082 0.000 0.879 61 D CB 0.511 41.282 40.800 -0.048 0.000 0.906 61 D HN 0.285 nan 8.370 nan 0.000 0.528 62 G N -0.656 108.111 108.800 -0.056 0.000 2.347 62 G HA2 0.017 4.062 3.960 0.142 0.000 0.321 62 G HA3 0.017 4.062 3.960 0.142 0.000 0.321 62 G C -1.180 173.697 174.900 -0.038 0.000 1.412 62 G CA -1.265 43.805 45.100 -0.049 0.000 0.990 62 G HN 0.104 nan 8.290 nan 0.000 0.637 63 R N -1.062 119.399 120.500 -0.065 0.000 2.679 63 R HA 0.377 4.803 4.340 0.142 0.000 0.268 63 R C -0.096 176.210 176.300 0.010 0.000 1.044 63 R CA -0.112 55.958 56.100 -0.050 0.000 1.105 63 R CB 0.851 31.061 30.300 -0.150 0.000 0.989 63 R HN 0.298 nan 8.270 nan 0.000 0.447 64 V N 4.068 124.021 119.914 0.065 0.000 2.328 64 V HA 0.052 4.257 4.120 0.142 0.000 0.278 64 V C -0.133 176.036 176.094 0.125 0.000 1.021 64 V CA -0.287 62.063 62.300 0.083 0.000 0.838 64 V CB 1.204 33.082 31.823 0.091 0.000 0.999 64 V HN 0.890 nan 8.190 nan 0.000 0.447 65 D N 4.523 124.985 120.400 0.104 0.000 2.723 65 D HA -0.206 4.519 4.640 0.142 0.000 0.236 65 D C 1.247 177.674 176.300 0.212 0.000 1.138 65 D CA 1.275 55.358 54.000 0.138 0.000 0.676 65 D CB -0.957 39.920 40.800 0.127 0.000 1.069 65 D HN 1.342 nan 8.370 nan 0.000 0.430 66 G N -0.418 108.447 108.800 0.107 0.000 2.179 66 G HA2 -0.322 3.723 3.960 0.142 0.000 0.260 66 G HA3 -0.322 3.723 3.960 0.142 0.000 0.260 66 G C 0.032 174.827 174.900 -0.175 0.000 0.977 66 G CA 0.747 45.852 45.100 0.008 0.000 0.641 66 G HN 0.665 nan 8.290 nan 0.000 0.533 67 H N -0.857 118.204 119.070 -0.015 0.000 2.690 67 H HA 0.647 5.288 4.556 0.142 0.000 0.368 67 H C 0.547 175.889 175.328 0.024 0.000 1.150 67 H CA -0.841 55.204 56.048 -0.005 0.000 1.174 67 H CB 1.204 30.996 29.762 0.049 0.000 1.684 67 H HN 0.190 nan 8.280 nan 0.000 0.538 68 I N 1.989 122.664 120.570 0.175 0.000 2.533 68 I HA 0.273 4.529 4.170 0.142 0.000 0.284 68 I C 0.370 176.728 176.117 0.402 0.000 1.109 68 I CA -0.214 61.212 61.300 0.209 0.000 1.412 68 I CB 0.408 38.567 38.000 0.264 0.000 1.396 68 I HN 0.548 nan 8.210 nan 0.000 0.543 69 A N 8.918 131.897 122.820 0.265 0.000 2.305 69 A HA 0.711 5.117 4.320 0.142 0.000 0.322 69 A C -2.493 175.247 177.584 0.260 0.000 1.187 69 A CA -1.747 50.468 52.037 0.298 0.000 0.825 69 A CB 0.479 19.590 19.000 0.185 0.000 1.164 69 A HN 0.390 nan 8.150 nan 0.000 0.498 70 P HA 0.028 nan 4.420 nan 0.000 0.268 70 P C -0.443 177.007 177.300 0.251 0.000 1.205 70 P CA -0.351 62.935 63.100 0.310 0.000 0.771 70 P CB 0.419 32.159 31.700 0.067 0.000 0.858 71 N N 2.378 121.273 118.700 0.326 0.000 2.416 71 N HA 0.026 4.851 4.740 0.142 0.000 0.271 71 N C 0.997 176.681 175.510 0.290 0.000 1.245 71 N CA 0.117 53.337 53.050 0.282 0.000 0.940 71 N CB 0.336 39.010 38.487 0.311 0.000 1.175 71 N HN 0.322 nan 8.380 nan 0.000 0.483 72 A N 3.228 126.158 122.820 0.183 0.000 2.119 72 A HA -0.055 4.350 4.320 0.142 0.000 0.217 72 A C 1.887 179.532 177.584 0.102 0.000 1.153 72 A CA 1.156 53.280 52.037 0.144 0.000 0.692 72 A CB -0.186 18.872 19.000 0.096 0.000 0.799 72 A HN 0.685 nan 8.150 nan 0.000 0.458 73 T N -0.536 114.070 114.554 0.087 0.000 2.896 73 T HA -0.052 4.383 4.350 0.142 0.000 0.263 73 T C 2.053 176.746 174.700 -0.010 0.000 1.050 73 T CA 1.252 63.374 62.100 0.037 0.000 1.140 73 T CB -0.123 68.767 68.868 0.037 0.000 0.877 73 T HN 0.520 nan 8.240 nan 0.000 0.457 74 R N -0.231 120.265 120.500 -0.006 0.000 2.119 74 R HA 0.112 4.537 4.340 0.142 0.000 0.222 74 R C -0.184 175.785 176.300 -0.550 0.000 1.088 74 R CA 0.778 56.734 56.100 -0.240 0.000 0.984 74 R CB 0.096 30.304 30.300 -0.153 0.000 0.884 74 R HN 0.312 nan 8.270 nan 0.000 0.447 75 F N -0.168 119.820 119.950 0.063 0.000 2.660 75 F HA 0.329 4.941 4.527 0.141 0.000 0.352 75 F C -1.958 173.840 175.800 -0.003 0.000 1.257 75 F CA -2.355 55.660 58.000 0.024 0.000 1.200 75 F CB 1.876 40.878 39.000 0.004 0.000 1.473 75 F HN -0.209 nan 8.300 nan 0.000 0.561 76 P HA -0.077 nan 4.420 nan 0.000 0.228 76 P C 0.526 177.853 177.300 0.045 0.000 1.151 76 P CA 1.265 64.397 63.100 0.054 0.000 0.770 76 P CB 0.328 32.040 31.700 0.018 0.000 0.786 77 D N -1.511 118.921 120.400 0.052 0.000 2.469 77 D HA 0.237 4.962 4.640 0.142 0.000 0.215 77 D C 1.072 177.354 176.300 -0.030 0.000 1.154 77 D CA 0.406 54.413 54.000 0.013 0.000 0.832 77 D CB 0.648 41.452 40.800 0.007 0.000 1.008 77 D HN 0.028 nan 8.370 nan 0.000 0.506 78 G N 1.523 110.313 108.800 -0.016 0.000 2.829 78 G HA2 -0.258 3.787 3.960 0.142 0.000 0.628 78 G HA3 -0.258 3.787 3.960 0.142 0.000 0.628 78 G C 0.840 175.542 174.900 -0.329 0.000 1.412 78 G CA -0.558 44.438 45.100 -0.173 0.000 0.864 78 G HN 0.040 nan 8.290 nan 0.000 0.544 79 I N 1.456 121.608 120.570 -0.696 0.000 2.226 79 I HA -0.107 4.149 4.170 0.142 0.000 0.245 79 I C 2.735 178.541 176.117 -0.518 0.000 1.100 79 I CA 2.556 63.386 61.300 -0.783 0.000 1.374 79 I CB -1.434 35.855 38.000 -1.184 0.000 1.057 79 I HN 0.822 nan 8.210 nan 0.000 0.413 80 D N 0.926 120.998 120.400 -0.547 0.000 2.149 80 D HA -0.172 4.553 4.640 0.142 0.000 0.198 80 D C 2.139 178.357 176.300 -0.137 0.000 0.990 80 D CA 1.690 55.572 54.000 -0.198 0.000 0.839 80 D CB -1.009 39.759 40.800 -0.054 0.000 0.948 80 D HN 0.332 nan 8.370 nan 0.000 0.460 81 G N 0.507 109.219 108.800 -0.145 0.000 2.394 81 G HA2 -0.146 3.899 3.960 0.142 0.000 0.215 81 G HA3 -0.146 3.899 3.960 0.142 0.000 0.215 81 G C 1.606 176.456 174.900 -0.083 0.000 1.165 81 G CA 0.800 45.852 45.100 -0.081 0.000 0.784 81 G HN 0.318 nan 8.290 nan 0.000 0.535 82 L N 1.621 122.780 121.223 -0.106 0.000 2.012 82 L HA 0.083 4.508 4.340 0.142 0.000 0.210 82 L C 3.050 179.818 176.870 -0.170 0.000 1.073 82 L CA 2.210 56.993 54.840 -0.095 0.000 0.748 82 L CB -0.809 41.192 42.059 -0.097 0.000 0.891 82 L HN 0.238 nan 8.230 nan 0.000 0.431 83 A N -0.679 121.995 122.820 -0.244 0.000 1.917 83 A HA -0.310 4.095 4.320 0.142 0.000 0.219 83 A C 2.479 179.807 177.584 -0.426 0.000 1.182 83 A CA 2.204 53.997 52.037 -0.406 0.000 0.633 83 A CB -0.658 18.157 19.000 -0.309 0.000 0.819 83 A HN 0.531 nan 8.150 nan 0.000 0.448 84 K N -0.259 120.041 120.400 -0.166 0.000 2.057 84 K HA -0.117 4.289 4.320 0.142 0.000 0.206 84 K C 2.014 178.598 176.600 -0.027 0.000 1.050 84 K CA 1.547 57.810 56.287 -0.040 0.000 0.935 84 K CB -0.132 32.367 32.500 -0.001 0.000 0.715 84 K HN 0.469 nan 8.250 nan 0.000 0.439 85 K N -0.015 120.355 120.400 -0.050 0.000 2.097 85 K HA -0.084 4.321 4.320 0.142 0.000 0.205 85 K C 1.971 178.558 176.600 -0.022 0.000 1.050 85 K CA 1.226 57.499 56.287 -0.023 0.000 0.938 85 K CB 0.048 32.538 32.500 -0.018 0.000 0.718 85 K HN -0.016 nan 8.250 nan 0.000 0.442 86 V N 0.986 120.857 119.914 -0.072 0.000 2.379 86 V HA -0.193 4.013 4.120 0.142 0.000 0.245 86 V C 2.034 178.148 176.094 0.032 0.000 1.044 86 V CA 1.590 63.861 62.300 -0.048 0.000 1.036 86 V CB -0.531 31.236 31.823 -0.093 0.000 0.664 86 V HN 0.307 nan 8.190 nan 0.000 0.453 87 H N 0.480 119.558 119.070 0.014 0.000 2.421 87 H HA -0.018 4.623 4.556 0.142 0.000 0.298 87 H C 2.304 177.638 175.328 0.011 0.000 1.087 87 H CA 1.369 57.427 56.048 0.017 0.000 1.330 87 H CB -0.565 29.214 29.762 0.029 0.000 1.388 87 H HN 0.447 nan 8.280 nan 0.000 0.526 88 A N 0.643 123.538 122.820 0.126 0.000 1.969 88 A HA -0.045 4.360 4.320 0.142 0.000 0.218 88 A C 2.405 180.018 177.584 0.049 0.000 1.169 88 A CA 0.714 52.794 52.037 0.071 0.000 0.635 88 A CB -0.676 18.351 19.000 0.045 0.000 0.810 88 A HN 0.329 nan 8.150 nan 0.000 0.445 89 L N -1.033 120.217 121.223 0.045 0.000 2.610 89 L HA 0.113 4.538 4.340 0.142 0.000 0.232 89 L C 1.633 178.522 176.870 0.032 0.000 1.149 89 L CA 0.572 55.429 54.840 0.029 0.000 0.872 89 L CB -0.279 41.790 42.059 0.017 0.000 0.992 89 L HN 0.594 nan 8.230 nan 0.000 0.447 90 G N 0.124 108.952 108.800 0.047 0.000 2.136 90 G HA2 -0.250 3.795 3.960 0.142 0.000 0.242 90 G HA3 -0.250 3.795 3.960 0.142 0.000 0.242 90 G C 0.039 174.956 174.900 0.028 0.000 0.989 90 G CA -0.014 45.105 45.100 0.031 0.000 0.682 90 G HN 0.240 nan 8.290 nan 0.000 0.522 91 L N -1.084 120.174 121.223 0.059 0.000 2.335 91 L HA 0.747 5.173 4.340 0.142 0.000 0.268 91 L C 0.648 177.582 176.870 0.107 0.000 1.016 91 L CA -1.175 53.692 54.840 0.044 0.000 0.805 91 L CB 1.296 43.385 42.059 0.049 0.000 1.311 91 L HN -0.032 nan 8.230 nan 0.000 0.456 92 K N 0.839 121.241 120.400 0.003 0.000 2.208 92 K HA 0.634 5.039 4.320 0.142 0.000 0.247 92 K C -1.472 175.218 176.600 0.150 0.000 0.953 92 K CA -0.844 55.484 56.287 0.069 0.000 0.837 92 K CB 2.484 34.796 32.500 -0.313 0.000 1.131 92 K HN 0.203 nan 8.250 nan 0.000 0.431 93 L N 0.715 122.071 121.223 0.222 0.000 2.322 93 L HA 0.568 4.993 4.340 0.142 0.000 0.281 93 L C -0.467 176.512 176.870 0.181 0.000 1.014 93 L CA 0.080 54.985 54.840 0.108 0.000 0.815 93 L CB 1.698 43.705 42.059 -0.087 0.000 1.247 93 L HN 0.711 nan 8.230 nan 0.000 0.421 94 G N 4.674 113.542 108.800 0.114 0.000 2.432 94 G HA2 0.663 4.709 3.960 0.142 0.000 0.331 94 G HA3 0.663 4.709 3.960 0.142 0.000 0.331 94 G C -1.324 173.536 174.900 -0.067 0.000 1.170 94 G CA -0.427 44.738 45.100 0.109 0.000 0.943 94 G HN 0.751 nan 8.290 nan 0.000 0.483 95 I N -0.624 119.883 120.570 -0.105 0.000 3.457 95 I HA 0.776 5.031 4.170 0.142 0.000 0.307 95 I C -1.764 174.312 176.117 -0.067 0.000 1.138 95 I CA -1.493 59.611 61.300 -0.327 0.000 0.974 95 I CB 2.594 40.156 38.000 -0.731 0.000 1.324 95 I HN 0.516 nan 8.210 nan 0.000 0.485 96 Y N 1.850 122.073 120.300 -0.129 0.000 2.457 96 Y HA 0.700 5.334 4.550 0.139 0.000 0.343 96 Y C -0.831 175.297 175.900 0.380 0.000 0.994 96 Y CA -0.193 58.007 58.100 0.167 0.000 1.031 96 Y CB 1.832 40.433 38.460 0.234 0.000 1.246 96 Y HN 0.525 nan 8.280 nan 0.000 0.449 97 S N 1.824 117.393 115.700 -0.218 0.000 2.819 97 S HA 0.835 5.390 4.470 0.142 0.000 0.299 97 S C -1.601 172.703 174.600 -0.493 0.000 1.192 97 S CA -0.525 57.650 58.200 -0.043 0.000 0.847 97 S CB 1.854 65.342 63.200 0.480 0.000 1.224 97 S HN 0.699 nan 8.310 nan 0.000 0.537 98 T N 1.559 115.904 114.554 -0.348 0.000 2.952 98 T HA 0.610 5.046 4.350 0.142 0.000 0.305 98 T C -0.616 173.580 174.700 -0.841 0.000 1.064 98 T CA -0.286 61.436 62.100 -0.631 0.000 1.008 98 T CB 1.541 70.249 68.868 -0.265 0.000 1.078 98 T HN 0.753 nan 8.240 nan 0.000 0.459 99 A N 2.164 124.207 122.820 -1.294 0.000 3.074 99 A HA 0.658 5.063 4.320 0.142 0.000 0.251 99 A C 0.829 178.066 177.584 -0.577 0.000 1.695 99 A CA 0.095 51.511 52.037 -1.036 0.000 1.343 99 A CB -0.963 17.192 19.000 -1.408 0.000 1.078 99 A HN 1.054 nan 8.150 nan 0.000 0.644 100 G N -1.305 107.271 108.800 -0.372 0.000 2.619 100 G HA2 0.406 4.452 3.960 0.142 0.000 0.305 100 G HA3 0.406 4.452 3.960 0.142 0.000 0.305 100 G C 0.509 175.337 174.900 -0.120 0.000 1.330 100 G CA 0.401 45.370 45.100 -0.218 0.000 0.789 100 G HN 0.469 nan 8.290 nan 0.000 0.487 101 T N -2.398 112.129 114.554 -0.046 0.000 3.081 101 T HA 0.558 4.993 4.350 0.142 0.000 0.255 101 T C 0.781 175.485 174.700 0.006 0.000 1.113 101 T CA 1.293 63.389 62.100 -0.006 0.000 1.082 101 T CB 0.148 69.031 68.868 0.025 0.000 0.939 101 T HN 1.721 nan 8.240 nan 0.000 0.506 102 A N 1.359 124.191 122.820 0.019 0.000 2.606 102 A HA 0.676 5.081 4.320 0.142 0.000 0.293 102 A C 0.201 177.841 177.584 0.094 0.000 1.082 102 A CA -0.635 51.436 52.037 0.055 0.000 0.685 102 A CB 0.835 19.871 19.000 0.061 0.000 1.284 102 A HN 0.391 nan 8.150 nan 0.000 0.408 103 T N -1.734 112.924 114.554 0.173 0.000 2.701 103 T HA 0.195 4.630 4.350 0.142 0.000 0.303 103 T C 1.353 176.205 174.700 0.254 0.000 1.030 103 T CA 0.484 62.739 62.100 0.258 0.000 1.010 103 T CB -0.026 69.112 68.868 0.450 0.000 1.007 103 T HN 0.734 nan 8.240 nan 0.000 0.532 104 c N 0.686 119.461 118.600 0.292 0.000 2.422 104 c HA 0.149 4.804 4.570 0.142 0.000 0.279 104 c C 3.042 177.265 174.090 0.221 0.000 1.305 104 c CA 0.763 57.236 56.329 0.241 0.000 1.757 104 c CB -1.957 40.690 42.510 0.230 0.000 1.962 104 c HN 0.990 nan 8.230 nan 0.000 0.499 105 A N -0.722 122.252 122.820 0.256 0.000 2.251 105 A HA 0.452 4.857 4.320 0.142 0.000 0.209 105 A C 1.599 179.413 177.584 0.383 0.000 1.187 105 A CA 1.083 53.327 52.037 0.344 0.000 0.823 105 A CB -0.614 18.629 19.000 0.404 0.000 0.846 105 A HN 1.209 nan 8.150 nan 0.000 0.486 106 G N -2.139 106.843 108.800 0.303 0.000 2.130 106 G HA2 -0.239 3.806 3.960 0.142 0.000 0.216 106 G HA3 -0.239 3.806 3.960 0.142 0.000 0.216 106 G C -0.169 174.762 174.900 0.052 0.000 0.999 106 G CA 0.145 45.333 45.100 0.147 0.000 0.686 106 G HN 0.355 nan 8.290 nan 0.000 0.515 107 Y N -0.154 120.172 120.300 0.043 0.000 2.458 107 Y HA 0.574 5.208 4.550 0.140 0.000 0.322 107 Y C -1.804 174.080 175.900 -0.027 0.000 1.259 107 Y CA -2.546 55.546 58.100 -0.014 0.000 1.302 107 Y CB 0.646 39.066 38.460 -0.067 0.000 1.314 107 Y HN -0.051 nan 8.280 nan 0.000 0.509 108 P HA 0.181 nan 4.420 nan 0.000 0.265 108 P C -1.106 176.219 177.300 0.041 0.000 1.193 108 P CA 0.392 63.493 63.100 0.002 0.000 0.765 108 P CB 0.549 32.221 31.700 -0.047 0.000 0.823 109 A N 2.279 125.109 122.820 0.018 0.000 2.475 109 A HA 0.613 5.018 4.320 0.142 0.000 0.281 109 A C 0.714 178.318 177.584 0.034 0.000 1.263 109 A CA -0.242 51.823 52.037 0.046 0.000 0.776 109 A CB 0.784 19.787 19.000 0.005 0.000 1.347 109 A HN 0.301 nan 8.150 nan 0.000 0.443 110 S N -0.566 115.181 115.700 0.078 0.000 2.540 110 S HA 0.142 4.698 4.470 0.142 0.000 0.218 110 S C 0.287 174.949 174.600 0.104 0.000 0.977 110 S CA -0.225 58.060 58.200 0.141 0.000 0.918 110 S CB -0.300 63.083 63.200 0.306 0.000 0.806 110 S HN 0.530 nan 8.310 nan 0.000 0.496 111 L N 2.577 123.792 121.223 -0.014 0.000 2.513 111 L HA 0.451 4.876 4.340 0.142 0.000 0.272 111 L C 1.156 178.013 176.870 -0.020 0.000 1.187 111 L CA 1.243 55.997 54.840 -0.143 0.000 0.895 111 L CB -0.308 41.559 42.059 -0.319 0.000 1.147 111 L HN 0.354 nan 8.230 nan 0.000 0.483 112 G N 3.496 112.237 108.800 -0.097 0.000 2.179 112 G HA2 -0.355 3.690 3.960 0.142 0.000 0.260 112 G HA3 -0.355 3.690 3.960 0.142 0.000 0.260 112 G C 0.365 175.090 174.900 -0.291 0.000 0.977 112 G CA 0.673 45.694 45.100 -0.132 0.000 0.641 112 G HN 0.661 nan 8.290 nan 0.000 0.533 113 Y N 0.213 120.459 120.300 -0.090 0.000 2.719 113 Y HA 0.398 5.032 4.550 0.141 0.000 0.251 113 Y C 1.831 177.648 175.900 -0.138 0.000 1.159 113 Y CA 0.252 58.285 58.100 -0.112 0.000 1.166 113 Y CB 0.612 39.005 38.460 -0.111 0.000 1.219 113 Y HN 0.258 nan 8.280 nan 0.000 0.551 114 E N 0.478 120.663 120.200 -0.025 0.000 2.085 114 E HA -0.211 4.224 4.350 0.142 0.000 0.194 114 E C 1.388 177.916 176.600 -0.120 0.000 0.994 114 E CA 1.927 58.282 56.400 -0.074 0.000 0.801 114 E CB -0.004 29.643 29.700 -0.088 0.000 0.743 114 E HN 0.411 nan 8.360 nan 0.000 0.453 115 D N -0.105 120.229 120.400 -0.110 0.000 2.117 115 D HA -0.105 4.620 4.640 0.142 0.000 0.198 115 D C 2.020 178.233 176.300 -0.144 0.000 0.982 115 D CA 0.980 54.911 54.000 -0.115 0.000 0.828 115 D CB -0.056 40.687 40.800 -0.095 0.000 0.967 115 D HN 0.061 nan 8.370 nan 0.000 0.464 116 V N 1.810 121.634 119.914 -0.149 0.000 2.358 116 V HA -0.188 4.017 4.120 0.142 0.000 0.246 116 V C 1.868 177.776 176.094 -0.310 0.000 1.047 116 V CA 1.607 63.784 62.300 -0.204 0.000 1.035 116 V CB -0.337 31.345 31.823 -0.236 0.000 0.658 116 V HN 0.015 nan 8.190 nan 0.000 0.452 117 D N 0.575 120.765 120.400 -0.350 0.000 2.117 117 D HA -0.085 4.640 4.640 0.142 0.000 0.198 117 D C 2.246 177.952 176.300 -0.991 0.000 0.982 117 D CA 1.577 55.147 54.000 -0.717 0.000 0.828 117 D CB -0.420 40.056 40.800 -0.541 0.000 0.967 117 D HN 0.412 nan 8.370 nan 0.000 0.464 118 A N 1.221 123.750 122.820 -0.484 0.000 1.883 118 A HA -0.100 4.305 4.320 0.142 0.000 0.217 118 A C 2.333 179.782 177.584 -0.226 0.000 1.186 118 A CA 2.469 54.356 52.037 -0.248 0.000 0.624 118 A CB -0.883 18.043 19.000 -0.123 0.000 0.822 118 A HN 0.237 nan 8.150 nan 0.000 0.444 119 A N -0.184 122.495 122.820 -0.234 0.000 1.908 119 A HA -0.213 4.192 4.320 0.142 0.000 0.218 119 A C 1.801 179.200 177.584 -0.308 0.000 1.181 119 A CA 2.024 53.947 52.037 -0.191 0.000 0.627 119 A CB -0.627 18.291 19.000 -0.136 0.000 0.818 119 A HN 0.470 nan 8.150 nan 0.000 0.445 120 D N -0.876 119.214 120.400 -0.517 0.000 2.117 120 D HA -0.094 4.631 4.640 0.142 0.000 0.198 120 D C 1.631 177.316 176.300 -1.024 0.000 0.982 120 D CA 1.015 54.462 54.000 -0.921 0.000 0.828 120 D CB -0.363 39.759 40.800 -1.130 0.000 0.967 120 D HN 0.409 nan 8.370 nan 0.000 0.464 121 F N 1.364 120.982 119.950 -0.554 0.000 2.113 121 F HA -0.001 4.611 4.527 0.141 0.000 0.297 121 F C 2.510 178.258 175.800 -0.088 0.000 1.103 121 F CA 0.428 58.292 58.000 -0.227 0.000 1.248 121 F CB -1.315 37.644 39.000 -0.069 0.000 0.999 121 F HN -0.091 nan 8.300 nan 0.000 0.475 122 A N 0.021 122.894 122.820 0.089 0.000 1.877 122 A HA -0.179 4.227 4.320 0.142 0.000 0.216 122 A C 1.988 179.572 177.584 0.001 0.000 1.186 122 A CA 2.003 54.111 52.037 0.119 0.000 0.620 122 A CB -0.877 18.183 19.000 0.101 0.000 0.822 122 A HN 0.265 nan 8.150 nan 0.000 0.443 123 D N -1.436 118.914 120.400 -0.082 0.000 2.264 123 D HA -0.116 4.609 4.640 0.142 0.000 0.208 123 D C 1.361 177.702 176.300 0.068 0.000 0.966 123 D CA 0.626 54.589 54.000 -0.060 0.000 0.864 123 D CB -0.219 40.513 40.800 -0.115 0.000 0.933 123 D HN 0.687 nan 8.370 nan 0.000 0.499 124 W N 0.350 121.645 121.300 -0.008 0.000 2.905 124 W HA 0.235 4.979 4.660 0.141 0.000 0.251 124 W C 1.594 178.058 176.519 -0.091 0.000 1.305 124 W CA 0.899 58.223 57.345 -0.035 0.000 1.465 124 W CB -0.459 28.996 29.460 -0.008 0.000 1.122 124 W HN 0.101 nan 8.180 nan 0.000 0.659 125 G N -0.106 108.711 108.800 0.028 0.000 2.141 125 G HA2 -0.272 3.773 3.960 0.142 0.000 0.242 125 G HA3 -0.272 3.773 3.960 0.142 0.000 0.242 125 G C 0.142 175.154 174.900 0.187 0.000 0.982 125 G CA 0.021 45.032 45.100 -0.148 0.000 0.662 125 G HN -0.011 nan 8.290 nan 0.000 0.527 126 V N 1.057 121.102 119.914 0.218 0.000 2.788 126 V HA 0.187 4.392 4.120 0.142 0.000 0.307 126 V C 1.094 177.433 176.094 0.408 0.000 1.069 126 V CA 1.263 63.710 62.300 0.245 0.000 1.173 126 V CB 1.167 33.085 31.823 0.159 0.000 0.925 126 V HN 0.374 nan 8.190 nan 0.000 0.492 127 D N 1.912 122.548 120.400 0.393 0.000 2.479 127 D HA 0.130 4.855 4.640 0.142 0.000 0.216 127 D C -0.445 176.106 176.300 0.418 0.000 1.110 127 D CA 0.460 54.708 54.000 0.413 0.000 0.841 127 D CB 1.055 42.125 40.800 0.450 0.000 1.040 127 D HN 0.535 nan 8.370 nan 0.000 0.505 128 Y N 1.147 121.554 120.300 0.179 0.000 2.442 128 Y HA 0.429 5.064 4.550 0.141 0.000 0.330 128 Y C -2.137 173.746 175.900 -0.027 0.000 1.100 128 Y CA -1.323 56.814 58.100 0.062 0.000 1.034 128 Y CB 1.476 39.934 38.460 -0.004 0.000 1.285 128 Y HN -0.240 nan 8.280 nan 0.000 0.440 129 L N 6.832 127.995 121.223 -0.100 0.000 2.343 129 L HA 0.541 4.966 4.340 0.142 0.000 0.278 129 L C -1.089 175.760 176.870 -0.036 0.000 0.996 129 L CA -0.710 54.093 54.840 -0.062 0.000 0.831 129 L CB 1.245 43.230 42.059 -0.123 0.000 1.232 129 L HN 0.667 nan 8.230 nan 0.000 0.413 130 K N 4.895 125.403 120.400 0.180 0.000 2.248 130 K HA 0.242 4.647 4.320 0.142 0.000 0.281 130 K C -1.798 174.895 176.600 0.155 0.000 1.054 130 K CA -0.338 56.090 56.287 0.235 0.000 0.903 130 K CB 0.542 33.281 32.500 0.398 0.000 1.077 130 K HN 0.742 nan 8.250 nan 0.000 0.474 131 Y N 4.021 124.315 120.300 -0.011 0.000 2.338 131 Y HA 0.172 4.810 4.550 0.147 0.000 0.328 131 Y C -0.327 175.577 175.900 0.006 0.000 0.965 131 Y CA -0.954 57.105 58.100 -0.069 0.000 1.208 131 Y CB 1.197 39.685 38.460 0.046 0.000 1.132 131 Y HN 0.743 nan 8.280 nan 0.000 0.469 132 D N 1.914 122.086 120.400 -0.380 0.000 2.466 132 D HA 0.089 4.814 4.640 0.142 0.000 0.262 132 D C -0.169 175.918 176.300 -0.355 0.000 1.177 132 D CA 0.011 53.875 54.000 -0.228 0.000 1.035 132 D CB 1.443 42.208 40.800 -0.059 0.000 1.105 132 D HN 0.622 nan 8.370 nan 0.000 0.551 133 N N -0.905 117.554 118.700 -0.400 0.000 2.197 133 N HA 0.124 4.950 4.740 0.142 0.000 0.228 133 N C -0.809 174.549 175.510 -0.253 0.000 1.212 133 N CA -0.276 52.439 53.050 -0.559 0.000 0.883 133 N CB 0.108 37.831 38.487 -1.273 0.000 1.107 133 N HN 0.199 nan 8.380 nan 0.000 0.519 134 c N 0.550 119.196 118.600 0.077 0.000 2.580 134 c HA 0.269 4.925 4.570 0.142 0.000 0.371 134 c C 0.882 175.026 174.090 0.089 0.000 1.308 134 c CA -0.290 56.192 56.329 0.254 0.000 2.428 134 c CB -0.509 42.182 42.510 0.302 0.000 2.529 134 c HN 0.692 nan 8.230 nan 0.000 0.657 135 N N -0.847 117.925 118.700 0.120 0.000 2.756 135 N HA -0.134 4.692 4.740 0.142 0.000 0.248 135 N C -0.893 174.636 175.510 0.031 0.000 1.062 135 N CA -0.098 52.996 53.050 0.073 0.000 0.696 135 N CB -1.031 37.493 38.487 0.062 0.000 0.946 135 N HN 0.436 nan 8.380 nan 0.000 0.548 136 V N 0.705 120.646 119.914 0.045 0.000 2.432 136 V HA 0.318 4.523 4.120 0.142 0.000 0.271 136 V C -1.417 174.739 176.094 0.103 0.000 1.046 136 V CA -1.148 61.177 62.300 0.042 0.000 0.945 136 V CB 0.847 32.704 31.823 0.056 0.000 0.992 136 V HN 0.080 nan 8.190 nan 0.000 0.471 137 P HA 0.210 nan 4.420 nan 0.000 0.272 137 P C 0.883 178.281 177.300 0.164 0.000 1.230 137 P CA -0.191 63.005 63.100 0.159 0.000 0.788 137 P CB 0.595 32.422 31.700 0.213 0.000 0.949 138 S N -0.102 115.661 115.700 0.104 0.000 2.383 138 S HA -0.181 4.375 4.470 0.142 0.000 0.229 138 S C 1.455 176.079 174.600 0.040 0.000 1.030 138 S CA 1.459 59.699 58.200 0.066 0.000 1.002 138 S CB -0.717 62.506 63.200 0.038 0.000 0.829 138 S HN 0.607 nan 8.310 nan 0.000 0.467 139 D N -0.891 119.525 120.400 0.025 0.000 2.348 139 D HA -0.015 4.710 4.640 0.142 0.000 0.216 139 D C 0.632 176.817 176.300 -0.190 0.000 0.970 139 D CA 0.562 54.504 54.000 -0.097 0.000 0.889 139 D CB 0.047 40.767 40.800 -0.135 0.000 0.912 139 D HN 0.546 nan 8.370 nan 0.000 0.524 140 W N 0.585 121.877 121.300 -0.013 0.000 3.127 140 W HA 0.184 4.925 4.660 0.135 0.000 0.344 140 W C 0.545 177.063 176.519 -0.002 0.000 1.151 140 W CA -0.636 56.701 57.345 -0.013 0.000 1.765 140 W CB 0.508 29.959 29.460 -0.016 0.000 1.085 140 W HN -0.232 nan 8.180 nan 0.000 0.596 141 Q N 1.383 121.288 119.800 0.175 0.000 2.364 141 Q HA 0.010 4.436 4.340 0.142 0.000 0.267 141 Q C 0.087 176.141 176.000 0.090 0.000 0.999 141 Q CA 0.695 56.573 55.803 0.125 0.000 0.886 141 Q CB 0.389 29.171 28.738 0.073 0.000 1.243 141 Q HN -0.073 nan 8.270 nan 0.000 0.415 142 D N 2.103 122.577 120.400 0.125 0.000 2.399 142 D HA -0.075 4.650 4.640 0.142 0.000 0.241 142 D C 0.651 176.924 176.300 -0.046 0.000 1.133 142 D CA 0.147 54.207 54.000 0.100 0.000 0.890 142 D CB 0.786 41.752 40.800 0.276 0.000 1.201 142 D HN 0.669 nan 8.370 nan 0.000 0.432 143 E N 0.740 120.804 120.200 -0.226 0.000 2.097 143 E HA -0.195 4.240 4.350 0.142 0.000 0.196 143 E C -0.152 176.081 176.600 -0.612 0.000 1.000 143 E CA 1.421 57.490 56.400 -0.553 0.000 0.804 143 E CB 0.229 29.359 29.700 -0.950 0.000 0.740 143 E HN 0.406 nan 8.360 nan 0.000 0.454 144 Y N -1.502 118.700 120.300 -0.164 0.000 2.659 144 Y HA 0.382 5.011 4.550 0.132 0.000 0.333 144 Y C -0.090 175.919 175.900 0.182 0.000 1.064 144 Y CA -1.410 56.623 58.100 -0.112 0.000 1.141 144 Y CB 1.225 39.425 38.460 -0.434 0.000 1.316 144 Y HN -0.211 nan 8.280 nan 0.000 0.509 145 V N -0.844 119.319 119.914 0.415 0.000 2.769 145 V HA 1.007 5.213 4.120 0.142 0.000 0.312 145 V C -0.215 176.150 176.094 0.451 0.000 1.058 145 V CA -1.161 61.370 62.300 0.385 0.000 0.952 145 V CB 1.077 33.033 31.823 0.222 0.000 1.019 145 V HN 0.935 nan 8.190 nan 0.000 0.445 146 A N 1.879 124.837 122.820 0.229 0.000 2.269 146 A HA 0.585 4.990 4.320 0.142 0.000 0.319 146 A C 0.282 177.925 177.584 0.098 0.000 1.110 146 A CA -0.188 51.918 52.037 0.115 0.000 0.847 146 A CB 1.183 19.951 19.000 -0.387 0.000 1.161 146 A HN 1.568 nan 8.150 nan 0.000 0.497 147 c N 1.850 120.501 118.600 0.085 0.000 2.428 147 c HA 0.360 5.015 4.570 0.142 0.000 0.362 147 c C 0.453 174.585 174.090 0.070 0.000 1.114 147 c CA -0.215 56.148 56.329 0.058 0.000 1.473 147 c CB -2.606 39.910 42.510 0.009 0.000 2.003 147 c HN 0.724 nan 8.230 nan 0.000 0.526 148 N N 5.223 123.998 118.700 0.125 0.000 2.524 148 N HA 0.336 5.161 4.740 0.142 0.000 0.261 148 N C -2.044 173.583 175.510 0.196 0.000 0.998 148 N CA -1.499 51.674 53.050 0.204 0.000 0.915 148 N CB 1.537 40.204 38.487 0.299 0.000 1.187 148 N HN 0.281 nan 8.380 nan 0.000 0.507 149 P HA -0.092 nan 4.420 nan 0.000 0.221 149 P C 0.267 177.634 177.300 0.112 0.000 1.145 149 P CA 0.877 64.041 63.100 0.107 0.000 0.795 149 P CB 0.307 32.097 31.700 0.151 0.000 0.775 150 D N -2.350 118.114 120.400 0.106 0.000 2.269 150 D HA -0.035 4.691 4.640 0.142 0.000 0.208 150 D C 1.087 177.131 176.300 -0.426 0.000 0.963 150 D CA 1.048 54.959 54.000 -0.147 0.000 0.864 150 D CB -0.185 40.492 40.800 -0.205 0.000 0.936 150 D HN 0.237 nan 8.370 nan 0.000 0.505 151 F N -0.861 119.148 119.950 0.099 0.000 2.699 151 F HA 0.118 4.687 4.527 0.069 0.000 0.295 151 F C 0.782 176.629 175.800 0.078 0.000 1.052 151 F CA -0.310 57.743 58.000 0.089 0.000 1.239 151 F CB 0.474 39.548 39.000 0.123 0.000 1.018 151 F HN -0.276 nan 8.300 nan 0.000 0.627 152 V N -1.058 118.996 119.914 0.233 0.000 2.881 152 V HA 0.498 4.703 4.120 0.142 0.000 0.316 152 V C -0.165 175.983 176.094 0.089 0.000 1.070 152 V CA -1.474 60.919 62.300 0.154 0.000 0.976 152 V CB 1.551 33.460 31.823 0.143 0.000 1.038 152 V HN -0.003 nan 8.190 nan 0.000 0.446 153 K N 2.445 122.887 120.400 0.070 0.000 2.412 153 K HA 0.416 4.821 4.320 0.142 0.000 0.281 153 K C 0.285 176.896 176.600 0.019 0.000 1.027 153 K CA 0.479 56.792 56.287 0.043 0.000 0.989 153 K CB 0.614 33.138 32.500 0.041 0.000 0.935 153 K HN 1.083 nan 8.250 nan 0.000 0.475 154 T N -0.682 113.873 114.554 0.002 0.000 2.924 154 T HA 0.597 5.032 4.350 0.142 0.000 0.291 154 T C 0.516 175.197 174.700 -0.031 0.000 1.045 154 T CA -1.070 61.005 62.100 -0.041 0.000 1.015 154 T CB 1.904 70.711 68.868 -0.102 0.000 1.103 154 T HN 0.504 nan 8.240 nan 0.000 0.496 155 G N 0.477 109.245 108.800 -0.053 0.000 2.543 155 G HA2 0.635 4.681 3.960 0.142 0.000 0.267 155 G HA3 0.635 4.681 3.960 0.142 0.000 0.267 155 G C -2.667 172.210 174.900 -0.037 0.000 1.406 155 G CA -1.708 43.372 45.100 -0.034 0.000 1.048 155 G HN 0.660 nan 8.290 nan 0.000 0.548 156 P HA 0.158 nan 4.420 nan 0.000 0.268 156 P C 0.026 177.309 177.300 -0.028 0.000 1.205 156 P CA 0.257 63.360 63.100 0.006 0.000 0.771 156 P CB 0.549 32.256 31.700 0.012 0.000 0.858 157 N N 2.287 121.005 118.700 0.030 0.000 2.776 157 N HA -0.167 4.658 4.740 0.142 0.000 0.249 157 N C 0.697 176.002 175.510 -0.340 0.000 1.111 157 N CA 1.586 54.639 53.050 0.006 0.000 0.711 157 N CB -1.765 36.703 38.487 -0.031 0.000 1.065 157 N HN 0.812 nan 8.380 nan 0.000 0.556 158 G N -1.211 107.268 108.800 -0.535 0.000 2.225 158 G HA2 -0.328 3.717 3.960 0.142 0.000 0.267 158 G HA3 -0.328 3.717 3.960 0.142 0.000 0.267 158 G C 0.211 174.723 174.900 -0.647 0.000 1.024 158 G CA 1.251 45.650 45.100 -1.167 0.000 0.784 158 G HN 1.385 nan 8.290 nan 0.000 0.507 159 T N -2.321 112.022 114.554 -0.353 0.000 2.909 159 T HA 0.590 5.026 4.350 0.142 0.000 0.289 159 T C 0.449 175.061 174.700 -0.147 0.000 1.005 159 T CA -0.313 61.651 62.100 -0.227 0.000 1.084 159 T CB 2.237 71.011 68.868 -0.155 0.000 0.975 159 T HN 0.508 nan 8.240 nan 0.000 0.509 160 c N 2.847 121.384 118.600 -0.106 0.000 2.435 160 c HA 0.922 5.577 4.570 0.142 0.000 0.333 160 c C 0.962 175.030 174.090 -0.037 0.000 1.202 160 c CA -0.567 55.731 56.329 -0.053 0.000 1.830 160 c CB 0.916 43.412 42.510 -0.023 0.000 2.326 160 c HN 1.222 nan 8.230 nan 0.000 0.507 161 T N -1.431 113.110 114.554 -0.020 0.000 2.865 161 T HA 0.340 4.775 4.350 0.142 0.000 0.294 161 T C 0.622 175.321 174.700 -0.003 0.000 1.119 161 T CA -0.321 61.770 62.100 -0.016 0.000 1.007 161 T CB 1.243 70.100 68.868 -0.018 0.000 1.225 161 T HN 0.440 nan 8.240 nan 0.000 0.515 162 T N 0.937 115.487 114.554 -0.006 0.000 2.746 162 T HA -0.008 4.427 4.350 0.142 0.000 0.267 162 T C 2.269 176.975 174.700 0.009 0.000 1.039 162 T CA 1.773 63.873 62.100 0.001 0.000 1.142 162 T CB -0.852 68.011 68.868 -0.007 0.000 0.866 162 T HN 0.819 nan 8.240 nan 0.000 0.444 163 A N 0.603 123.426 122.820 0.005 0.000 1.969 163 A HA 0.083 4.488 4.320 0.142 0.000 0.218 163 A C 2.183 179.775 177.584 0.013 0.000 1.169 163 A CA 1.069 53.111 52.037 0.008 0.000 0.635 163 A CB -0.526 18.476 19.000 0.004 0.000 0.810 163 A HN 0.498 nan 8.150 nan 0.000 0.445 164 L N -1.436 119.795 121.223 0.013 0.000 2.249 164 L HA 0.122 4.547 4.340 0.142 0.000 0.207 164 L C -0.000 176.888 176.870 0.030 0.000 1.090 164 L CA 0.551 55.402 54.840 0.018 0.000 0.802 164 L CB 0.153 42.218 42.059 0.010 0.000 0.947 164 L HN 0.200 nan 8.230 nan 0.000 0.453 165 D N -1.031 119.388 120.400 0.032 0.000 2.358 165 D HA 0.188 4.913 4.640 0.142 0.000 0.253 165 D C -1.960 174.369 176.300 0.048 0.000 1.288 165 D CA -1.210 52.819 54.000 0.049 0.000 0.950 165 D CB 2.154 42.991 40.800 0.061 0.000 1.197 165 D HN -0.179 nan 8.370 nan 0.000 0.550 166 P HA -0.122 nan 4.420 nan 0.000 0.219 166 P C 1.290 178.634 177.300 0.073 0.000 1.146 166 P CA 1.245 64.375 63.100 0.049 0.000 0.808 166 P CB 0.217 31.945 31.700 0.046 0.000 0.779 167 T N -4.640 109.973 114.554 0.099 0.000 3.122 167 T HA 0.179 4.615 4.350 0.142 0.000 0.250 167 T C 0.510 175.325 174.700 0.191 0.000 1.067 167 T CA -0.446 61.754 62.100 0.167 0.000 0.966 167 T CB -0.780 68.174 68.868 0.143 0.000 1.002 167 T HN -0.167 nan 8.240 nan 0.000 0.542 168 L N 3.030 124.308 121.223 0.092 0.000 2.525 168 L HA 0.459 4.884 4.340 0.142 0.000 0.278 168 L C 0.646 177.445 176.870 -0.118 0.000 1.218 168 L CA -0.299 54.571 54.840 0.051 0.000 0.878 168 L CB -0.323 41.750 42.059 0.023 0.000 1.127 168 L HN 0.404 nan 8.230 nan 0.000 0.492 169 A N 7.685 130.415 122.820 -0.150 0.000 2.520 169 A HA 0.398 4.803 4.320 0.142 0.000 0.245 169 A C -2.119 175.207 177.584 -0.431 0.000 1.072 169 A CA -0.952 50.710 52.037 -0.625 0.000 0.761 169 A CB -0.962 17.826 19.000 -0.355 0.000 1.004 169 A HN 0.688 nan 8.150 nan 0.000 0.499 170 P HA 0.213 nan 4.420 nan 0.000 0.269 170 P C -2.649 174.579 177.300 -0.120 0.000 1.209 170 P CA -1.069 61.865 63.100 -0.278 0.000 0.776 170 P CB -0.451 31.083 31.700 -0.276 0.000 0.876 171 P HA 0.058 nan 4.420 nan 0.000 0.264 171 P C 1.099 178.406 177.300 0.011 0.000 1.183 171 P CA 1.274 64.373 63.100 -0.002 0.000 0.763 171 P CB -0.145 31.549 31.700 -0.010 0.000 0.807 172 G N 1.478 110.303 108.800 0.041 0.000 2.179 172 G HA2 -0.313 3.732 3.960 0.142 0.000 0.260 172 G HA3 -0.313 3.732 3.960 0.142 0.000 0.260 172 G C 0.038 174.946 174.900 0.014 0.000 0.977 172 G CA -0.159 44.957 45.100 0.026 0.000 0.641 172 G HN 0.600 nan 8.290 nan 0.000 0.533 173 Y N 2.184 122.418 120.300 -0.110 0.000 2.717 173 Y HA 0.407 5.048 4.550 0.152 0.000 0.330 173 Y C 0.322 176.120 175.900 -0.171 0.000 1.217 173 Y CA 0.116 58.096 58.100 -0.201 0.000 1.506 173 Y CB 0.749 38.980 38.460 -0.381 0.000 1.268 173 Y HN 0.135 nan 8.280 nan 0.000 0.561 174 D N 5.758 125.621 120.400 -0.896 0.000 2.428 174 D HA 0.034 4.759 4.640 0.142 0.000 0.221 174 D C -0.137 175.740 176.300 -0.707 0.000 1.123 174 D CA -0.245 53.423 54.000 -0.554 0.000 0.869 174 D CB 0.077 40.655 40.800 -0.370 0.000 1.032 174 D HN 0.745 nan 8.370 nan 0.000 0.506 175 W N 1.962 123.158 121.300 -0.173 0.000 2.595 175 W HA -0.115 4.623 4.660 0.130 0.000 0.257 175 W C 2.448 178.736 176.519 -0.384 0.000 1.267 175 W CA 0.676 58.015 57.345 -0.010 0.000 1.300 175 W CB 0.071 29.746 29.460 0.359 0.000 1.120 175 W HN 0.477 nan 8.180 nan 0.000 0.618 176 S N -1.139 114.472 115.700 -0.148 0.000 2.507 176 S HA -0.142 4.413 4.470 0.142 0.000 0.235 176 S C 1.519 175.929 174.600 -0.316 0.000 0.988 176 S CA 1.389 59.396 58.200 -0.321 0.000 0.944 176 S CB -0.928 62.225 63.200 -0.078 0.000 0.762 176 S HN 0.282 nan 8.310 nan 0.000 0.526 177 T N -0.294 114.087 114.554 -0.289 0.000 3.069 177 T HA 0.284 4.720 4.350 0.142 0.000 0.252 177 T C 0.720 175.318 174.700 -0.170 0.000 1.053 177 T CA 0.053 62.015 62.100 -0.231 0.000 0.964 177 T CB -0.267 68.449 68.868 -0.253 0.000 1.005 177 T HN 0.481 nan 8.240 nan 0.000 0.532 178 S N 1.165 116.781 115.700 -0.141 0.000 2.600 178 S HA 0.342 4.897 4.470 0.142 0.000 0.265 178 S C 1.268 175.893 174.600 0.041 0.000 1.325 178 S CA -0.908 57.317 58.200 0.041 0.000 1.002 178 S CB 1.030 64.416 63.200 0.309 0.000 0.921 178 S HN 0.078 nan 8.310 nan 0.000 0.554 179 K N 1.173 121.651 120.400 0.130 0.000 2.097 179 K HA -0.045 4.360 4.320 0.142 0.000 0.206 179 K C 2.408 179.164 176.600 0.260 0.000 1.049 179 K CA 1.331 57.763 56.287 0.242 0.000 0.933 179 K CB -0.947 31.725 32.500 0.286 0.000 0.717 179 K HN 0.627 nan 8.250 nan 0.000 0.442 180 S N 1.221 117.057 115.700 0.226 0.000 2.359 180 S HA -0.152 4.403 4.470 0.142 0.000 0.224 180 S C 2.150 176.824 174.600 0.124 0.000 1.035 180 S CA 1.353 59.708 58.200 0.258 0.000 1.018 180 S CB -0.247 63.153 63.200 0.333 0.000 0.876 180 S HN 0.464 nan 8.310 nan 0.000 0.448 181 A N 1.181 123.771 122.820 -0.383 0.000 1.940 181 A HA -0.174 4.232 4.320 0.142 0.000 0.219 181 A C 2.033 179.487 177.584 -0.217 0.000 1.176 181 A CA 1.682 53.184 52.037 -0.891 0.000 0.631 181 A CB -0.584 17.644 19.000 -1.287 0.000 0.814 181 A HN 0.570 nan 8.150 nan 0.000 0.446 182 E N -0.538 119.630 120.200 -0.054 0.000 2.077 182 E HA -0.192 4.244 4.350 0.142 0.000 0.193 182 E C 2.349 178.984 176.600 0.058 0.000 0.989 182 E CA 0.967 57.411 56.400 0.074 0.000 0.800 182 E CB -0.071 29.772 29.700 0.239 0.000 0.746 182 E HN 0.581 nan 8.360 nan 0.000 0.452 183 R N -0.653 119.849 120.500 0.004 0.000 2.081 183 R HA -0.120 4.305 4.340 0.142 0.000 0.235 183 R C 2.241 178.446 176.300 -0.158 0.000 1.131 183 R CA 1.446 57.389 56.100 -0.262 0.000 0.960 183 R CB -0.265 29.803 30.300 -0.388 0.000 0.856 183 R HN 0.199 nan 8.270 nan 0.000 0.436 184 F N -0.367 119.627 119.950 0.072 0.000 2.206 184 F HA 0.012 4.621 4.527 0.137 0.000 0.298 184 F C 2.535 178.406 175.800 0.118 0.000 1.090 184 F CA 1.262 59.378 58.000 0.193 0.000 1.323 184 F CB -0.642 38.540 39.000 0.303 0.000 1.028 184 F HN 0.132 nan 8.300 nan 0.000 0.492 185 G N -0.391 108.541 108.800 0.220 0.000 2.432 185 G HA2 -0.187 3.859 3.960 0.142 0.000 0.219 185 G HA3 -0.187 3.859 3.960 0.142 0.000 0.219 185 G C 1.870 176.800 174.900 0.050 0.000 1.135 185 G CA 0.759 45.931 45.100 0.120 0.000 0.767 185 G HN 0.427 nan 8.290 nan 0.000 0.550 186 A N 0.182 123.013 122.820 0.018 0.000 1.972 186 A HA 0.044 4.449 4.320 0.142 0.000 0.219 186 A C 2.253 179.803 177.584 -0.057 0.000 1.169 186 A CA 2.116 54.139 52.037 -0.024 0.000 0.635 186 A CB -0.266 18.701 19.000 -0.056 0.000 0.810 186 A HN 0.413 nan 8.150 nan 0.000 0.446 187 M N -0.345 119.205 119.600 -0.083 0.000 2.287 187 M HA 0.050 4.616 4.480 0.142 0.000 0.266 187 M C 2.012 178.235 176.300 -0.129 0.000 1.079 187 M CA 1.519 56.699 55.300 -0.200 0.000 1.146 187 M CB -0.480 31.774 32.600 -0.577 0.000 1.374 187 M HN 0.465 nan 8.290 nan 0.000 0.435 188 R N 0.151 120.626 120.500 -0.041 0.000 2.097 188 R HA -0.219 4.207 4.340 0.142 0.000 0.236 188 R C 1.642 177.930 176.300 -0.021 0.000 1.135 188 R CA 2.288 58.385 56.100 -0.005 0.000 0.934 188 R CB -0.649 29.683 30.300 0.054 0.000 0.846 188 R HN 0.423 nan 8.270 nan 0.000 0.431 189 N N 0.618 119.307 118.700 -0.017 0.000 2.120 189 N HA -0.152 4.673 4.740 0.142 0.000 0.188 189 N C 1.669 177.156 175.510 -0.037 0.000 1.024 189 N CA 1.599 54.635 53.050 -0.023 0.000 0.852 189 N CB -0.493 37.983 38.487 -0.018 0.000 1.003 189 N HN 0.401 nan 8.380 nan 0.000 0.424 190 A N 1.276 124.064 122.820 -0.054 0.000 1.877 190 A HA -0.041 4.364 4.320 0.142 0.000 0.216 190 A C 2.384 179.935 177.584 -0.055 0.000 1.186 190 A CA 0.930 52.928 52.037 -0.065 0.000 0.620 190 A CB -0.770 18.175 19.000 -0.092 0.000 0.822 190 A HN 0.211 nan 8.150 nan 0.000 0.443 191 L N -0.696 120.496 121.223 -0.051 0.000 2.083 191 L HA -0.184 4.241 4.340 0.142 0.000 0.209 191 L C 3.027 179.889 176.870 -0.014 0.000 1.083 191 L CA 0.977 55.803 54.840 -0.023 0.000 0.752 191 L CB -0.560 41.487 42.059 -0.020 0.000 0.899 191 L HN 0.427 nan 8.230 nan 0.000 0.433 192 A N 0.148 122.955 122.820 -0.021 0.000 2.024 192 A HA -0.202 4.203 4.320 0.142 0.000 0.220 192 A C 2.232 179.805 177.584 -0.018 0.000 1.164 192 A CA 1.552 53.577 52.037 -0.020 0.000 0.643 192 A CB -0.315 18.671 19.000 -0.024 0.000 0.806 192 A HN 0.383 nan 8.150 nan 0.000 0.451 193 K N -0.330 120.058 120.400 -0.020 0.000 2.418 193 K HA 0.038 4.443 4.320 0.142 0.000 0.195 193 K C 0.098 176.692 176.600 -0.010 0.000 1.035 193 K CA 0.139 56.415 56.287 -0.018 0.000 1.003 193 K CB 0.116 32.602 32.500 -0.025 0.000 0.793 193 K HN 0.490 nan 8.250 nan 0.000 0.494 194 Q N 0.220 120.019 119.800 -0.002 0.000 2.312 194 Q HA 0.072 4.497 4.340 0.142 0.000 0.236 194 Q C 1.121 177.141 176.000 0.033 0.000 0.965 194 Q CA 0.073 55.885 55.803 0.016 0.000 0.894 194 Q CB 1.451 30.205 28.738 0.028 0.000 1.225 194 Q HN 0.087 nan 8.270 nan 0.000 0.478 195 S N -0.331 115.401 115.700 0.052 0.000 2.436 195 S HA -0.093 4.462 4.470 0.142 0.000 0.228 195 S C 0.588 175.242 174.600 0.090 0.000 1.014 195 S CA 0.542 58.776 58.200 0.058 0.000 0.950 195 S CB -0.192 63.042 63.200 0.057 0.000 0.784 195 S HN 0.687 nan 8.310 nan 0.000 0.504 196 H N 2.989 122.075 119.070 0.026 0.000 2.562 196 H HA 0.435 5.076 4.556 0.142 0.000 0.314 196 H C -0.330 175.028 175.328 0.050 0.000 1.079 196 H CA -0.643 55.430 56.048 0.042 0.000 1.349 196 H CB 0.733 30.532 29.762 0.062 0.000 1.432 196 H HN 0.449 nan 8.280 nan 0.000 0.479 197 E N 5.010 125.042 120.200 -0.280 0.000 2.259 197 E HA 0.334 4.770 4.350 0.142 0.000 0.281 197 E C -0.869 175.685 176.600 -0.077 0.000 1.037 197 E CA -0.212 56.111 56.400 -0.128 0.000 0.854 197 E CB 0.946 30.582 29.700 -0.106 0.000 1.051 197 E HN 0.484 nan 8.360 nan 0.000 0.409 198 I N 3.626 124.210 120.570 0.024 0.000 2.466 198 I HA 0.229 4.484 4.170 0.142 0.000 0.289 198 I C -0.309 175.824 176.117 0.025 0.000 1.026 198 I CA -1.628 59.716 61.300 0.073 0.000 1.078 198 I CB 1.966 40.034 38.000 0.112 0.000 1.249 198 I HN 0.576 nan 8.210 nan 0.000 0.429 199 V N 4.412 124.332 119.914 0.010 0.000 2.732 199 V HA 0.492 4.698 4.120 0.142 0.000 0.297 199 V C -0.519 175.438 176.094 -0.229 0.000 1.060 199 V CA -0.594 61.658 62.300 -0.080 0.000 1.038 199 V CB 1.598 33.381 31.823 -0.067 0.000 1.003 199 V HN 0.578 nan 8.190 nan 0.000 0.481 200 L N 4.051 125.173 121.223 -0.168 0.000 2.305 200 L HA 0.698 5.123 4.340 0.142 0.000 0.284 200 L C 0.170 176.943 176.870 -0.162 0.000 1.013 200 L CA 0.240 54.989 54.840 -0.153 0.000 0.819 200 L CB 1.528 43.569 42.059 -0.029 0.000 1.227 200 L HN 1.032 nan 8.230 nan 0.000 0.417 201 S N 6.336 121.905 115.700 -0.219 0.000 2.433 201 S HA 0.615 5.170 4.470 0.142 0.000 0.310 201 S C -0.390 174.258 174.600 0.080 0.000 1.097 201 S CA -0.697 57.431 58.200 -0.119 0.000 1.103 201 S CB 0.535 63.628 63.200 -0.178 0.000 0.992 201 S HN 0.675 nan 8.310 nan 0.000 0.469 202 M N 4.695 124.344 119.600 0.082 0.000 2.152 202 M HA 0.285 4.850 4.480 0.142 0.000 0.354 202 M C -0.333 175.939 176.300 -0.045 0.000 1.173 202 M CA -0.389 54.940 55.300 0.048 0.000 1.110 202 M CB 0.630 33.116 32.600 -0.191 0.000 1.366 202 M HN 0.696 nan 8.290 nan 0.000 0.415 203 C N 5.295 124.634 119.300 0.065 0.000 2.365 203 C HA 0.280 4.825 4.460 0.142 0.000 0.412 203 C C 1.272 176.072 174.990 -0.318 0.000 1.023 203 C CA -0.114 58.898 59.018 -0.010 0.000 1.287 203 C CB -1.468 26.342 27.740 0.117 0.000 1.675 203 C HN 0.992 nan 8.230 nan 0.000 0.520 204 I N 4.474 124.792 120.570 -0.420 0.000 4.154 204 I HA 0.243 4.499 4.170 0.142 0.000 0.334 204 I C 0.143 176.000 176.117 -0.434 0.000 1.371 204 I CA -0.000 60.911 61.300 -0.649 0.000 1.110 204 I CB -0.004 37.599 38.000 -0.662 0.000 1.085 204 I HN 0.834 nan 8.210 nan 0.000 0.398 205 W N 0.662 121.986 121.300 0.040 0.000 4.141 205 W HA -0.216 4.520 4.660 0.127 0.000 0.336 205 W C 1.229 177.852 176.519 0.175 0.000 1.258 205 W CA 0.650 58.099 57.345 0.172 0.000 0.747 205 W CB -2.527 27.132 29.460 0.332 0.000 2.338 205 W HN 0.485 nan 8.180 nan 0.000 1.410 206 G N -0.737 108.140 108.800 0.128 0.000 2.155 206 G HA2 -0.314 3.731 3.960 0.142 0.000 0.257 206 G HA3 -0.314 3.731 3.960 0.142 0.000 0.257 206 G C 0.622 175.515 174.900 -0.012 0.000 0.983 206 G CA 0.669 45.786 45.100 0.030 0.000 0.676 206 G HN 0.326 nan 8.290 nan 0.000 0.528 207 Q N -0.954 118.799 119.800 -0.079 0.000 2.396 207 Q HA 0.575 5.000 4.340 0.142 0.000 0.221 207 Q C 1.279 177.109 176.000 -0.283 0.000 1.025 207 Q CA 0.572 56.291 55.803 -0.141 0.000 0.946 207 Q CB 0.870 29.514 28.738 -0.156 0.000 1.224 207 Q HN 1.622 nan 8.270 nan 0.000 0.539 208 A N 1.453 124.020 122.820 -0.422 0.000 2.860 208 A HA -0.234 4.172 4.320 0.142 0.000 0.267 208 A C 0.312 177.351 177.584 -0.909 0.000 1.421 208 A CA 1.182 52.754 52.037 -0.776 0.000 0.831 208 A CB -2.101 16.917 19.000 0.030 0.000 1.041 208 A HN 0.912 nan 8.150 nan 0.000 0.623 209 D N -2.789 117.123 120.400 -0.813 0.000 2.697 209 D HA -0.174 4.552 4.640 0.142 0.000 0.235 209 D C 0.552 176.569 176.300 -0.472 0.000 1.167 209 D CA 1.352 55.065 54.000 -0.478 0.000 0.656 209 D CB -1.190 39.231 40.800 -0.632 0.000 1.025 209 D HN 1.479 nan 8.370 nan 0.000 0.419 210 V N 0.527 119.916 119.914 -0.874 0.000 2.720 210 V HA -0.189 4.016 4.120 0.142 0.000 0.256 210 V C 1.949 177.014 176.094 -1.714 0.000 1.082 210 V CA 2.020 63.293 62.300 -1.713 0.000 1.101 210 V CB -0.539 30.368 31.823 -1.526 0.000 0.693 210 V HN 0.447 nan 8.190 nan 0.000 0.479 211 F N 1.524 120.964 119.950 -0.849 0.000 2.202 211 F HA -0.167 4.442 4.527 0.136 0.000 0.301 211 F C 2.714 178.198 175.800 -0.525 0.000 1.082 211 F CA 1.691 59.329 58.000 -0.603 0.000 1.313 211 F CB -0.966 37.924 39.000 -0.183 0.000 1.024 211 F HN 0.425 nan 8.300 nan 0.000 0.495 212 S N -0.653 114.892 115.700 -0.257 0.000 2.458 212 S HA -0.081 4.474 4.470 0.142 0.000 0.223 212 S C 1.402 175.975 174.600 -0.045 0.000 1.019 212 S CA 0.449 58.622 58.200 -0.045 0.000 0.937 212 S CB -0.692 62.607 63.200 0.165 0.000 0.788 212 S HN 0.684 nan 8.310 nan 0.000 0.511 213 W N 0.579 121.744 121.300 -0.224 0.000 2.714 213 W HA 0.568 5.309 4.660 0.134 0.000 0.353 213 W C 1.236 177.546 176.519 -0.348 0.000 0.999 213 W CA -0.108 57.115 57.345 -0.202 0.000 1.629 213 W CB -0.542 28.864 29.460 -0.091 0.000 1.106 213 W HN 0.259 nan 8.180 nan 0.000 0.545 214 G N 2.403 110.505 108.800 -1.164 0.000 2.408 214 G HA2 -0.358 3.687 3.960 0.142 0.000 0.217 214 G HA3 -0.358 3.687 3.960 0.142 0.000 0.217 214 G C 1.329 175.871 174.900 -0.597 0.000 1.150 214 G CA 1.315 45.614 45.100 -1.336 0.000 0.776 214 G HN 0.202 nan 8.290 nan 0.000 0.542 215 N N 1.071 119.478 118.700 -0.488 0.000 2.443 215 N HA -0.111 4.714 4.740 0.142 0.000 0.184 215 N C 2.223 177.787 175.510 0.091 0.000 1.037 215 N CA 1.370 54.470 53.050 0.084 0.000 0.896 215 N CB -0.138 38.441 38.487 0.153 0.000 0.959 215 N HN 0.336 nan 8.380 nan 0.000 0.442 216 S N -3.310 112.423 115.700 0.056 0.000 2.593 216 S HA 0.128 4.683 4.470 0.142 0.000 0.217 216 S C 1.252 175.920 174.600 0.115 0.000 0.966 216 S CA 0.503 58.756 58.200 0.088 0.000 0.914 216 S CB 0.289 63.551 63.200 0.103 0.000 0.776 216 S HN 0.161 nan 8.310 nan 0.000 0.523 217 T N 0.155 114.794 114.554 0.142 0.000 3.125 217 T HA 0.508 4.943 4.350 0.142 0.000 0.252 217 T C 0.758 175.556 174.700 0.163 0.000 0.981 217 T CA 0.378 62.587 62.100 0.183 0.000 1.069 217 T CB 0.551 69.609 68.868 0.317 0.000 1.091 217 T HN 0.566 nan 8.240 nan 0.000 0.460 218 G N 0.627 109.544 108.800 0.195 0.000 2.788 218 G HA2 0.559 4.605 3.960 0.142 0.000 0.293 218 G HA3 0.559 4.605 3.960 0.142 0.000 0.293 218 G C 0.190 175.246 174.900 0.260 0.000 1.392 218 G CA -0.606 44.608 45.100 0.190 0.000 0.810 218 G HN 0.303 nan 8.290 nan 0.000 0.508 219 I N -1.878 118.787 120.570 0.157 0.000 3.427 219 I HA 0.378 4.634 4.170 0.142 0.000 0.288 219 I C 0.662 176.760 176.117 -0.031 0.000 1.249 219 I CA 0.455 61.845 61.300 0.151 0.000 1.421 219 I CB 0.348 38.431 38.000 0.138 0.000 1.086 219 I HN 0.418 nan 8.210 nan 0.000 0.448 220 S N -0.174 115.468 115.700 -0.096 0.000 2.596 220 S HA 0.683 5.239 4.470 0.142 0.000 0.270 220 S C -1.829 172.673 174.600 -0.164 0.000 1.155 220 S CA -0.742 57.202 58.200 -0.426 0.000 0.827 220 S CB 0.880 63.917 63.200 -0.271 0.000 1.130 220 S HN 0.478 nan 8.310 nan 0.000 0.467 221 W N 0.061 121.279 121.300 -0.137 0.000 3.211 221 W HA 0.684 5.428 4.660 0.140 0.000 0.335 221 W C -0.498 175.912 176.519 -0.182 0.000 1.113 221 W CA -1.074 56.120 57.345 -0.251 0.000 1.235 221 W CB 0.888 30.066 29.460 -0.470 0.000 1.365 221 W HN 0.548 nan 8.180 nan 0.000 0.476 222 R N 3.584 124.101 120.500 0.028 0.000 2.583 222 R HA 0.066 4.491 4.340 0.142 0.000 0.274 222 R C 0.609 176.963 176.300 0.089 0.000 0.998 222 R CA 0.220 56.369 56.100 0.081 0.000 1.081 222 R CB 0.671 31.070 30.300 0.165 0.000 0.940 222 R HN 0.886 nan 8.270 nan 0.000 0.413 223 M N -1.316 118.378 119.600 0.157 0.000 2.347 223 M HA 0.198 4.764 4.480 0.142 0.000 0.302 223 M C -0.135 176.364 176.300 0.331 0.000 1.051 223 M CA -0.417 55.032 55.300 0.248 0.000 0.988 223 M CB 0.345 33.217 32.600 0.455 0.000 1.475 223 M HN 0.362 nan 8.290 nan 0.000 0.530 224 S N -2.336 113.547 115.700 0.306 0.000 2.656 224 S HA 0.671 5.227 4.470 0.142 0.000 0.273 224 S C -1.139 173.674 174.600 0.356 0.000 1.168 224 S CA -1.030 57.357 58.200 0.311 0.000 0.817 224 S CB 1.335 64.664 63.200 0.215 0.000 1.146 224 S HN 0.153 nan 8.310 nan 0.000 0.475 225 D N 0.701 121.233 120.400 0.220 0.000 2.371 225 D HA 0.300 5.025 4.640 0.142 0.000 0.242 225 D C -0.598 175.745 176.300 0.072 0.000 1.218 225 D CA 0.208 54.248 54.000 0.066 0.000 0.945 225 D CB 0.401 41.028 40.800 -0.287 0.000 1.137 225 D HN 0.495 nan 8.370 nan 0.000 0.464 226 D N 0.709 121.124 120.400 0.024 0.000 2.533 226 D HA 0.007 4.733 4.640 0.142 0.000 0.236 226 D C 0.382 176.747 176.300 0.109 0.000 1.137 226 D CA 0.263 54.327 54.000 0.106 0.000 0.867 226 D CB 0.159 41.024 40.800 0.109 0.000 1.170 226 D HN 0.285 nan 8.370 nan 0.000 0.474 227 I N 1.176 121.839 120.570 0.155 0.000 2.938 227 I HA 0.010 4.265 4.170 0.142 0.000 0.285 227 I C 0.089 176.248 176.117 0.070 0.000 1.182 227 I CA 0.496 61.863 61.300 0.112 0.000 1.388 227 I CB 0.477 38.564 38.000 0.145 0.000 1.390 227 I HN 0.154 nan 8.210 nan 0.000 0.600 228 S N 5.825 121.528 115.700 0.004 0.000 2.570 228 S HA 0.496 5.051 4.470 0.142 0.000 0.286 228 S C -2.506 172.050 174.600 -0.072 0.000 1.099 228 S CA -0.895 57.300 58.200 -0.008 0.000 0.913 228 S CB 1.986 65.181 63.200 -0.008 0.000 1.085 228 S HN 0.505 nan 8.310 nan 0.000 0.480 229 P HA 0.241 nan 4.420 nan 0.000 0.220 229 P C -1.269 175.987 177.300 -0.073 0.000 1.806 229 P CA -0.230 62.810 63.100 -0.101 0.000 0.976 229 P CB -1.046 30.612 31.700 -0.070 0.000 1.952 230 N N -1.612 117.043 118.700 -0.076 0.000 2.610 230 N HA 0.106 4.931 4.740 0.142 0.000 0.264 230 N C 0.433 175.952 175.510 0.016 0.000 1.348 230 N CA -1.135 51.912 53.050 -0.005 0.000 0.819 230 N CB 0.322 38.817 38.487 0.013 0.000 1.521 230 N HN -0.049 nan 8.380 nan 0.000 0.497 231 W N 1.085 122.311 121.300 -0.123 0.000 2.363 231 W HA -0.031 4.717 4.660 0.146 0.000 0.296 231 W C 1.342 177.765 176.519 -0.160 0.000 1.212 231 W CA 1.712 58.961 57.345 -0.160 0.000 1.260 231 W CB -0.321 29.048 29.460 -0.151 0.000 1.131 231 W HN 0.801 nan 8.180 nan 0.000 0.530 232 G N 0.289 109.030 108.800 -0.098 0.000 2.440 232 G HA2 -0.304 3.742 3.960 0.142 0.000 0.218 232 G HA3 -0.304 3.742 3.960 0.142 0.000 0.218 232 G C 1.614 176.378 174.900 -0.227 0.000 1.154 232 G CA 1.351 46.335 45.100 -0.192 0.000 0.767 232 G HN 0.295 nan 8.290 nan 0.000 0.552 233 S N -0.606 114.993 115.700 -0.168 0.000 2.414 233 S HA 0.000 4.556 4.470 0.142 0.000 0.227 233 S C 2.514 177.024 174.600 -0.149 0.000 1.022 233 S CA 0.711 58.835 58.200 -0.126 0.000 0.958 233 S CB -0.007 63.145 63.200 -0.080 0.000 0.797 233 S HN 0.184 nan 8.310 nan 0.000 0.493 234 V N 2.249 121.991 119.914 -0.286 0.000 2.295 234 V HA -0.178 4.027 4.120 0.142 0.000 0.246 234 V C 2.896 178.805 176.094 -0.308 0.000 1.049 234 V CA 2.170 64.293 62.300 -0.294 0.000 1.024 234 V CB -1.373 30.187 31.823 -0.439 0.000 0.648 234 V HN 0.745 nan 8.190 nan 0.000 0.447 235 T N -1.133 113.006 114.554 -0.693 0.000 2.857 235 T HA -0.242 4.193 4.350 0.142 0.000 0.266 235 T C 1.972 176.492 174.700 -0.300 0.000 1.048 235 T CA 1.433 63.168 62.100 -0.609 0.000 1.139 235 T CB -0.403 67.956 68.868 -0.849 0.000 0.874 235 T HN 0.399 nan 8.240 nan 0.000 0.455 236 R N 0.833 121.191 120.500 -0.237 0.000 2.096 236 R HA -0.052 4.374 4.340 0.142 0.000 0.240 236 R C 2.431 178.705 176.300 -0.043 0.000 1.139 236 R CA 1.954 57.981 56.100 -0.122 0.000 0.952 236 R CB -0.522 29.733 30.300 -0.076 0.000 0.854 236 R HN 0.514 nan 8.270 nan 0.000 0.436 237 I N 0.514 121.096 120.570 0.020 0.000 2.406 237 I HA -0.222 4.034 4.170 0.142 0.000 0.249 237 I C 2.258 178.358 176.117 -0.029 0.000 1.122 237 I CA 0.306 61.644 61.300 0.063 0.000 1.431 237 I CB -0.152 37.968 38.000 0.200 0.000 1.087 237 I HN 0.236 nan 8.210 nan 0.000 0.424 238 L N 1.442 122.649 121.223 -0.027 0.000 2.012 238 L HA -0.260 4.165 4.340 0.142 0.000 0.210 238 L C 2.141 179.009 176.870 -0.003 0.000 1.073 238 L CA 2.129 56.919 54.840 -0.083 0.000 0.748 238 L CB -0.933 41.084 42.059 -0.069 0.000 0.891 238 L HN 0.274 nan 8.230 nan 0.000 0.431 239 N N -0.754 117.932 118.700 -0.023 0.000 2.084 239 N HA -0.206 4.620 4.740 0.142 0.000 0.190 239 N C 1.854 177.467 175.510 0.172 0.000 1.030 239 N CA 1.974 55.032 53.050 0.014 0.000 0.849 239 N CB -0.361 38.029 38.487 -0.161 0.000 1.012 239 N HN 0.448 nan 8.380 nan 0.000 0.423 240 L N 0.044 121.357 121.223 0.151 0.000 1.989 240 L HA -0.184 4.241 4.340 0.142 0.000 0.211 240 L C 2.168 179.215 176.870 0.294 0.000 1.071 240 L CA 1.380 56.409 54.840 0.315 0.000 0.749 240 L CB -0.674 41.538 42.059 0.256 0.000 0.890 240 L HN 0.315 nan 8.230 nan 0.000 0.431 241 N N -0.327 118.468 118.700 0.157 0.000 2.223 241 N HA -0.174 4.652 4.740 0.142 0.000 0.185 241 N C 2.011 177.604 175.510 0.138 0.000 1.016 241 N CA 1.378 54.497 53.050 0.115 0.000 0.863 241 N CB -0.095 38.377 38.487 -0.025 0.000 0.983 241 N HN 0.358 nan 8.380 nan 0.000 0.429 242 S N -1.113 114.669 115.700 0.137 0.000 2.440 242 S HA -0.131 4.424 4.470 0.142 0.000 0.238 242 S C 1.461 175.961 174.600 -0.167 0.000 1.010 242 S CA 0.841 59.026 58.200 -0.025 0.000 0.972 242 S CB -0.723 62.335 63.200 -0.237 0.000 0.774 242 S HN 0.304 nan 8.310 nan 0.000 0.501 243 F N 1.133 121.207 119.950 0.207 0.000 2.765 243 F HA 0.438 5.052 4.527 0.145 0.000 0.302 243 F C 1.715 177.539 175.800 0.040 0.000 1.111 243 F CA 0.015 58.134 58.000 0.199 0.000 1.359 243 F CB 0.334 39.473 39.000 0.232 0.000 1.097 243 F HN 0.071 nan 8.300 nan 0.000 0.577 244 K N 0.148 120.607 120.400 0.097 0.000 2.506 244 K HA 0.327 4.732 4.320 0.142 0.000 0.204 244 K C 1.258 177.888 176.600 0.050 0.000 1.045 244 K CA 0.130 56.361 56.287 -0.093 0.000 1.074 244 K CB 0.399 32.645 32.500 -0.423 0.000 0.842 244 K HN 0.349 nan 8.250 nan 0.000 0.514 245 L N 0.277 121.557 121.223 0.095 0.000 2.465 245 L HA -0.071 4.354 4.340 0.142 0.000 0.224 245 L C 1.163 178.099 176.870 0.111 0.000 1.145 245 L CA 0.969 55.878 54.840 0.114 0.000 0.834 245 L CB -0.436 41.692 42.059 0.115 0.000 0.944 245 L HN 0.230 nan 8.230 nan 0.000 0.451 246 N N -0.960 117.803 118.700 0.105 0.000 2.494 246 N HA -0.083 4.743 4.740 0.142 0.000 0.182 246 N C 1.468 177.049 175.510 0.118 0.000 1.076 246 N CA 0.492 53.602 53.050 0.099 0.000 0.908 246 N CB 0.185 38.725 38.487 0.087 0.000 0.967 246 N HN 0.137 nan 8.380 nan 0.000 0.449 247 S N -0.069 115.735 115.700 0.173 0.000 2.593 247 S HA 0.096 4.651 4.470 0.142 0.000 0.217 247 S C 0.344 175.110 174.600 0.275 0.000 0.966 247 S CA 0.041 58.403 58.200 0.270 0.000 0.914 247 S CB 0.474 63.951 63.200 0.462 0.000 0.776 247 S HN -0.016 nan 8.310 nan 0.000 0.523 248 V N 2.647 122.644 119.914 0.138 0.000 2.347 248 V HA 0.530 4.735 4.120 0.142 0.000 0.280 248 V C -0.145 175.885 176.094 -0.107 0.000 1.021 248 V CA -0.441 61.860 62.300 0.001 0.000 0.847 248 V CB 1.345 33.185 31.823 0.028 0.000 0.990 248 V HN 0.168 nan 8.190 nan 0.000 0.444 249 D N 2.225 122.465 120.400 -0.267 0.000 2.825 249 D HA 0.383 5.108 4.640 0.142 0.000 0.327 249 D C -0.719 175.295 176.300 -0.477 0.000 1.277 249 D CA -0.589 53.220 54.000 -0.318 0.000 0.950 249 D CB 1.688 42.417 40.800 -0.118 0.000 1.438 249 D HN 0.135 nan 8.370 nan 0.000 0.526 250 F N 0.438 120.290 119.950 -0.163 0.000 2.629 250 F HA 0.047 4.660 4.527 0.142 0.000 0.369 250 F C 0.882 176.642 175.800 -0.067 0.000 1.125 250 F CA 0.798 58.679 58.000 -0.198 0.000 1.330 250 F CB -0.156 38.731 39.000 -0.188 0.000 1.071 250 F HN 0.546 nan 8.300 nan 0.000 0.595 251 W N -0.109 121.312 121.300 0.201 0.000 2.323 251 W HA -0.158 4.587 4.660 0.141 0.000 0.261 251 W C 0.728 177.271 176.519 0.041 0.000 1.029 251 W CA 0.438 57.856 57.345 0.121 0.000 0.499 251 W CB -1.655 27.874 29.460 0.115 0.000 2.045 251 W HN 0.849 nan 8.180 nan 0.000 1.374 252 G N -0.206 108.567 108.800 -0.045 0.000 2.107 252 G HA2 0.519 4.564 3.960 0.142 0.000 0.297 252 G HA3 0.519 4.564 3.960 0.142 0.000 0.297 252 G C -1.440 173.033 174.900 -0.711 0.000 1.543 252 G CA -0.823 44.206 45.100 -0.119 0.000 1.115 252 G HN 0.150 nan 8.290 nan 0.000 0.550 253 H N 1.069 119.639 119.070 -0.833 0.000 2.538 253 H HA 0.429 5.070 4.556 0.141 0.000 0.353 253 H C 0.002 174.680 175.328 -1.083 0.000 1.109 253 H CA -0.826 54.807 56.048 -0.691 0.000 1.192 253 H CB 1.392 30.918 29.762 -0.393 0.000 1.555 253 H HN 0.328 nan 8.280 nan 0.000 0.518 254 N N 1.607 119.973 118.700 -0.557 0.000 2.458 254 N HA -0.014 4.811 4.740 0.142 0.000 0.258 254 N C -0.479 174.843 175.510 -0.314 0.000 1.219 254 N CA 0.222 53.017 53.050 -0.425 0.000 0.902 254 N CB 0.425 38.942 38.487 0.050 0.000 1.076 254 N HN 0.599 nan 8.380 nan 0.000 0.455 255 D N 0.734 120.976 120.400 -0.263 0.000 2.392 255 D HA 0.356 5.082 4.640 0.142 0.000 0.228 255 D C -0.177 176.081 176.300 -0.069 0.000 1.074 255 D CA -0.702 53.213 54.000 -0.142 0.000 0.838 255 D CB 0.829 41.574 40.800 -0.093 0.000 1.067 255 D HN 0.467 nan 8.370 nan 0.000 0.511 256 A N 3.805 126.518 122.820 -0.178 0.000 2.276 256 A HA 0.215 4.620 4.320 0.142 0.000 0.212 256 A C 0.469 178.190 177.584 0.229 0.000 1.230 256 A CA 0.066 51.944 52.037 -0.264 0.000 0.844 256 A CB -0.360 17.912 19.000 -1.214 0.000 0.860 256 A HN 0.688 nan 8.150 nan 0.000 0.486 257 D N -2.275 118.284 120.400 0.264 0.000 10.655 257 D HA -0.153 4.572 4.640 0.142 0.000 0.358 257 D C -0.124 176.436 176.300 0.434 0.000 3.091 257 D CA 0.679 54.887 54.000 0.347 0.000 2.547 257 D CB -0.581 40.423 40.800 0.339 0.000 1.197 257 D HN 0.317 nan 8.370 nan 0.000 0.966 258 M N 0.854 120.626 119.600 0.287 0.000 2.245 258 M HA 0.210 4.776 4.480 0.142 0.000 0.344 258 M C 0.353 176.766 176.300 0.189 0.000 1.170 258 M CA -0.096 55.324 55.300 0.200 0.000 1.135 258 M CB 0.307 32.968 32.600 0.102 0.000 1.574 258 M HN 0.193 nan 8.290 nan 0.000 0.452 259 L N 2.779 124.081 121.223 0.132 0.000 2.456 259 L HA 0.007 4.432 4.340 0.142 0.000 0.272 259 L C 1.142 178.074 176.870 0.105 0.000 1.189 259 L CA 0.047 54.950 54.840 0.106 0.000 0.846 259 L CB 0.236 42.322 42.059 0.045 0.000 1.111 259 L HN 0.706 nan 8.230 nan 0.000 0.475 260 E N 1.588 121.918 120.200 0.216 0.000 2.501 260 E HA 0.097 4.532 4.350 0.142 0.000 0.201 260 E C -0.102 176.510 176.600 0.020 0.000 1.016 260 E CA -0.144 56.262 56.400 0.010 0.000 0.920 260 E CB 0.606 30.210 29.700 -0.159 0.000 1.023 260 E HN 0.360 nan 8.360 nan 0.000 0.474 261 V N 1.283 121.238 119.914 0.069 0.000 2.625 261 V HA 0.016 4.221 4.120 0.142 0.000 0.305 261 V C 1.591 177.657 176.094 -0.046 0.000 1.055 261 V CA 1.635 63.933 62.300 -0.004 0.000 1.209 261 V CB 0.015 31.801 31.823 -0.062 0.000 0.877 261 V HN 0.595 nan 8.190 nan 0.000 0.489 262 G N 3.636 112.403 108.800 -0.056 0.000 2.175 262 G HA2 -0.204 3.841 3.960 0.142 0.000 0.244 262 G HA3 -0.204 3.841 3.960 0.142 0.000 0.244 262 G C 0.017 174.880 174.900 -0.062 0.000 0.982 262 G CA 0.084 45.147 45.100 -0.063 0.000 0.641 262 G HN 0.665 nan 8.290 nan 0.000 0.527 263 N N 0.185 118.849 118.700 -0.060 0.000 2.312 263 N HA 0.641 5.466 4.740 0.142 0.000 0.296 263 N C 0.950 176.426 175.510 -0.055 0.000 1.193 263 N CA 0.834 53.846 53.050 -0.063 0.000 0.773 263 N CB 1.308 39.750 38.487 -0.074 0.000 1.435 263 N HN 1.286 nan 8.380 nan 0.000 0.484 264 G N 1.729 110.500 108.800 -0.050 0.000 2.594 264 G HA2 -0.368 3.677 3.960 0.142 0.000 0.297 264 G HA3 -0.368 3.677 3.960 0.142 0.000 0.297 264 G C 0.333 175.211 174.900 -0.037 0.000 1.273 264 G CA 0.864 45.939 45.100 -0.041 0.000 0.974 264 G HN 0.829 nan 8.290 nan 0.000 0.552 265 N N 0.137 118.820 118.700 -0.029 0.000 2.214 265 N HA 0.257 5.082 4.740 0.142 0.000 0.214 265 N C 0.629 176.127 175.510 -0.020 0.000 1.132 265 N CA -0.075 52.961 53.050 -0.025 0.000 0.856 265 N CB -0.138 38.340 38.487 -0.015 0.000 1.020 265 N HN 0.650 nan 8.380 nan 0.000 0.509 266 L N 1.813 123.024 121.223 -0.020 0.000 2.513 266 L HA 0.081 4.506 4.340 0.142 0.000 0.272 266 L C 1.115 177.961 176.870 -0.040 0.000 1.187 266 L CA -0.138 54.696 54.840 -0.010 0.000 0.895 266 L CB 0.127 42.178 42.059 -0.013 0.000 1.147 266 L HN 0.214 nan 8.230 nan 0.000 0.483 267 T N 0.047 114.566 114.554 -0.059 0.000 2.726 267 T HA 0.289 4.724 4.350 0.142 0.000 0.294 267 T C 1.297 175.938 174.700 -0.098 0.000 1.013 267 T CA -0.212 61.833 62.100 -0.093 0.000 0.996 267 T CB 1.172 69.960 68.868 -0.135 0.000 1.016 267 T HN 0.619 nan 8.240 nan 0.000 0.529 268 A N 0.698 123.447 122.820 -0.119 0.000 1.902 268 A HA 0.151 4.556 4.320 0.142 0.000 0.217 268 A C 2.672 180.156 177.584 -0.166 0.000 1.181 268 A CA 1.947 53.900 52.037 -0.140 0.000 0.623 268 A CB -1.620 17.290 19.000 -0.151 0.000 0.818 268 A HN 1.213 nan 8.150 nan 0.000 0.443 269 A N -0.003 122.716 122.820 -0.170 0.000 1.858 269 A HA -0.204 4.201 4.320 0.142 0.000 0.216 269 A C 1.904 179.421 177.584 -0.112 0.000 1.190 269 A CA 1.737 53.669 52.037 -0.174 0.000 0.617 269 A CB -0.672 18.217 19.000 -0.185 0.000 0.827 269 A HN 0.636 nan 8.150 nan 0.000 0.443 270 E N -0.804 119.333 120.200 -0.104 0.000 2.085 270 E HA -0.149 4.286 4.350 0.142 0.000 0.194 270 E C 2.069 178.738 176.600 0.114 0.000 0.994 270 E CA 1.637 58.052 56.400 0.026 0.000 0.801 270 E CB -0.425 29.300 29.700 0.042 0.000 0.743 270 E HN 0.611 nan 8.360 nan 0.000 0.453 271 T N 0.767 115.337 114.554 0.027 0.000 2.720 271 T HA -0.153 4.282 4.350 0.142 0.000 0.268 271 T C 1.807 176.544 174.700 0.062 0.000 1.037 271 T CA 1.055 63.182 62.100 0.045 0.000 1.144 271 T CB -0.127 68.722 68.868 -0.031 0.000 0.864 271 T HN 0.122 nan 8.240 nan 0.000 0.444 272 R N 0.291 120.767 120.500 -0.040 0.000 2.081 272 R HA -0.061 4.364 4.340 0.142 0.000 0.235 272 R C 2.775 179.201 176.300 0.210 0.000 1.131 272 R CA 1.534 57.589 56.100 -0.074 0.000 0.960 272 R CB -0.572 29.433 30.300 -0.491 0.000 0.856 272 R HN 0.305 nan 8.270 nan 0.000 0.436 273 T N -0.396 114.268 114.554 0.183 0.000 2.737 273 T HA -0.191 4.244 4.350 0.142 0.000 0.265 273 T C 1.624 176.462 174.700 0.230 0.000 1.038 273 T CA 1.303 63.548 62.100 0.241 0.000 1.144 273 T CB -0.349 68.712 68.868 0.322 0.000 0.866 273 T HN 0.458 nan 8.240 nan 0.000 0.434 274 H N -0.529 118.583 119.070 0.070 0.000 2.290 274 H HA -0.130 4.511 4.556 0.143 0.000 0.298 274 H C 2.284 177.576 175.328 -0.059 0.000 1.087 274 H CA 1.744 57.692 56.048 -0.166 0.000 1.291 274 H CB -0.294 29.269 29.762 -0.332 0.000 1.369 274 H HN 0.371 nan 8.280 nan 0.000 0.492 275 F N 1.327 121.134 119.950 -0.240 0.000 2.113 275 F HA -0.074 4.538 4.527 0.142 0.000 0.297 275 F C 2.692 178.522 175.800 0.049 0.000 1.103 275 F CA 1.523 59.416 58.000 -0.177 0.000 1.248 275 F CB -0.838 38.140 39.000 -0.037 0.000 0.999 275 F HN 0.243 nan 8.300 nan 0.000 0.475 276 A N 0.621 123.537 122.820 0.160 0.000 1.908 276 A HA -0.168 4.238 4.320 0.142 0.000 0.218 276 A C 2.228 179.722 177.584 -0.149 0.000 1.181 276 A CA 1.807 53.851 52.037 0.012 0.000 0.627 276 A CB -1.077 18.044 19.000 0.202 0.000 0.818 276 A HN 0.435 nan 8.150 nan 0.000 0.445 277 L N -1.967 119.218 121.223 -0.063 0.000 2.131 277 L HA -0.108 4.317 4.340 0.142 0.000 0.206 277 L C 2.481 179.294 176.870 -0.095 0.000 1.087 277 L CA 1.072 55.794 54.840 -0.196 0.000 0.767 277 L CB -1.337 40.578 42.059 -0.240 0.000 0.917 277 L HN 0.658 nan 8.230 nan 0.000 0.441 278 W N 0.325 121.439 121.300 -0.310 0.000 2.335 278 W HA -0.263 4.481 4.660 0.140 0.000 0.311 278 W C 2.539 178.873 176.519 -0.309 0.000 1.213 278 W CA 1.098 58.278 57.345 -0.275 0.000 1.274 278 W CB -0.102 29.182 29.460 -0.292 0.000 1.148 278 W HN 0.195 nan 8.180 nan 0.000 0.498 279 A N 0.425 123.100 122.820 -0.241 0.000 1.877 279 A HA -0.118 4.287 4.320 0.142 0.000 0.216 279 A C 2.024 179.548 177.584 -0.101 0.000 1.186 279 A CA 2.535 54.405 52.037 -0.279 0.000 0.620 279 A CB -1.156 17.548 19.000 -0.493 0.000 0.822 279 A HN 0.218 nan 8.150 nan 0.000 0.443 280 A N -1.078 121.648 122.820 -0.156 0.000 2.014 280 A HA 0.060 4.465 4.320 0.142 0.000 0.218 280 A C 2.088 179.708 177.584 0.059 0.000 1.163 280 A CA 1.417 53.393 52.037 -0.102 0.000 0.652 280 A CB -0.442 18.345 19.000 -0.355 0.000 0.808 280 A HN 0.511 nan 8.150 nan 0.000 0.449 281 M N -1.005 118.538 119.600 -0.096 0.000 2.618 281 M HA 0.050 4.615 4.480 0.142 0.000 0.240 281 M C -0.140 176.141 176.300 -0.031 0.000 1.123 281 M CA 0.514 55.773 55.300 -0.068 0.000 1.060 281 M CB 0.005 32.460 32.600 -0.241 0.000 1.535 281 M HN 0.288 nan 8.290 nan 0.000 0.507 282 K N 0.549 120.929 120.400 -0.034 0.000 3.071 282 K HA -0.133 4.272 4.320 0.142 0.000 0.265 282 K C 0.104 176.613 176.600 -0.151 0.000 1.060 282 K CA 0.235 56.470 56.287 -0.086 0.000 0.767 282 K CB -1.911 30.582 32.500 -0.011 0.000 1.241 282 K HN 0.364 nan 8.250 nan 0.000 0.486 283 S N 1.012 116.605 115.700 -0.178 0.000 2.585 283 S HA 0.282 4.837 4.470 0.142 0.000 0.273 283 S C -2.058 172.444 174.600 -0.165 0.000 1.339 283 S CA -1.327 56.757 58.200 -0.193 0.000 1.028 283 S CB 0.695 63.732 63.200 -0.271 0.000 0.906 283 S HN 0.028 nan 8.310 nan 0.000 0.528 284 P HA 0.114 nan 4.420 nan 0.000 0.266 284 P C -1.054 176.270 177.300 0.039 0.000 1.193 284 P CA 0.265 63.325 63.100 -0.066 0.000 0.770 284 P CB 0.130 31.824 31.700 -0.011 0.000 0.836 285 L N 3.349 124.617 121.223 0.074 0.000 2.366 285 L HA 0.414 4.839 4.340 0.142 0.000 0.266 285 L C -0.167 176.867 176.870 0.273 0.000 1.010 285 L CA -0.282 54.673 54.840 0.191 0.000 0.879 285 L CB 0.538 42.711 42.059 0.189 0.000 1.228 285 L HN 0.181 nan 8.230 nan 0.000 0.439 286 L N 4.589 125.947 121.223 0.225 0.000 2.316 286 L HA 0.516 4.942 4.340 0.142 0.000 0.280 286 L C 0.095 177.030 176.870 0.109 0.000 1.006 286 L CA -0.663 54.279 54.840 0.169 0.000 0.836 286 L CB 2.094 44.195 42.059 0.070 0.000 1.221 286 L HN 0.486 nan 8.230 nan 0.000 0.418 287 I N 2.416 123.058 120.570 0.121 0.000 2.752 287 I HA 0.082 4.337 4.170 0.142 0.000 0.287 287 I C 1.099 177.045 176.117 -0.286 0.000 1.188 287 I CA 0.558 61.865 61.300 0.011 0.000 1.427 287 I CB 0.589 38.659 38.000 0.116 0.000 1.365 287 I HN 0.743 nan 8.210 nan 0.000 0.585 288 G N 3.710 112.360 108.800 -0.250 0.000 4.951 288 G HA2 0.408 4.453 3.960 0.142 0.000 0.282 288 G HA3 0.408 4.453 3.960 0.142 0.000 0.282 288 G C -0.360 174.352 174.900 -0.313 0.000 1.301 288 G CA -0.069 44.786 45.100 -0.408 0.000 0.975 288 G HN 0.599 nan 8.290 nan 0.000 0.589 289 T N -0.564 113.891 114.554 -0.164 0.000 2.821 289 T HA 0.364 4.799 4.350 0.142 0.000 0.306 289 T C -1.832 172.928 174.700 0.099 0.000 1.313 289 T CA -0.488 61.558 62.100 -0.090 0.000 1.012 289 T CB 2.076 70.906 68.868 -0.063 0.000 1.298 289 T HN 0.030 nan 8.240 nan 0.000 0.502 290 D N 2.494 122.861 120.400 -0.055 0.000 2.346 290 D HA 0.157 4.882 4.640 0.142 0.000 0.260 290 D C 1.389 177.702 176.300 0.022 0.000 1.252 290 D CA -0.044 53.965 54.000 0.015 0.000 0.895 290 D CB 0.405 41.202 40.800 -0.006 0.000 1.097 290 D HN 0.489 nan 8.370 nan 0.000 0.489 291 L N 3.382 124.607 121.223 0.004 0.000 2.275 291 L HA -0.079 4.347 4.340 0.142 0.000 0.215 291 L C 2.257 179.090 176.870 -0.062 0.000 1.119 291 L CA 0.813 55.620 54.840 -0.055 0.000 0.790 291 L CB -0.198 41.775 42.059 -0.144 0.000 0.919 291 L HN 0.484 nan 8.230 nan 0.000 0.443 292 A N -0.802 121.988 122.820 -0.048 0.000 2.066 292 A HA -0.168 4.237 4.320 0.142 0.000 0.218 292 A C 2.063 179.627 177.584 -0.034 0.000 1.157 292 A CA 1.137 53.148 52.037 -0.043 0.000 0.670 292 A CB -0.127 18.853 19.000 -0.033 0.000 0.804 292 A HN 0.324 nan 8.150 nan 0.000 0.453 293 Q N -1.477 118.306 119.800 -0.028 0.000 2.319 293 Q HA 0.314 4.739 4.340 0.142 0.000 0.209 293 Q C -0.163 175.812 176.000 -0.041 0.000 0.884 293 Q CA -0.091 55.694 55.803 -0.030 0.000 0.938 293 Q CB 0.191 28.915 28.738 -0.023 0.000 1.098 293 Q HN 0.477 nan 8.270 nan 0.000 0.517 294 L N 1.537 122.732 121.223 -0.046 0.000 2.360 294 L HA 0.243 4.668 4.340 0.142 0.000 0.276 294 L C 0.103 176.936 176.870 -0.061 0.000 1.121 294 L CA -0.176 54.630 54.840 -0.057 0.000 0.845 294 L CB 0.669 42.690 42.059 -0.063 0.000 1.143 294 L HN 0.148 nan 8.230 nan 0.000 0.452 295 S N 2.998 118.660 115.700 -0.064 0.000 2.573 295 S HA 0.008 4.563 4.470 0.142 0.000 0.277 295 S C 0.838 175.398 174.600 -0.067 0.000 1.346 295 S CA 0.006 58.169 58.200 -0.062 0.000 1.034 295 S CB 0.736 63.898 63.200 -0.064 0.000 0.879 295 S HN 0.723 nan 8.310 nan 0.000 0.528 296 Q N 1.919 121.684 119.800 -0.059 0.000 2.224 296 Q HA -0.098 4.327 4.340 0.142 0.000 0.203 296 Q C 1.458 177.420 176.000 -0.063 0.000 0.970 296 Q CA 2.125 57.894 55.803 -0.057 0.000 0.865 296 Q CB -0.675 28.037 28.738 -0.044 0.000 0.922 296 Q HN 0.909 nan 8.270 nan 0.000 0.445 297 N N -0.191 118.469 118.700 -0.067 0.000 2.058 297 N HA -0.113 4.713 4.740 0.142 0.000 0.191 297 N C 1.302 176.751 175.510 -0.101 0.000 1.037 297 N CA 1.385 54.389 53.050 -0.077 0.000 0.848 297 N CB -0.205 38.235 38.487 -0.079 0.000 1.021 297 N HN 0.229 nan 8.380 nan 0.000 0.422 298 N N 0.757 119.390 118.700 -0.111 0.000 2.223 298 N HA -0.038 4.787 4.740 0.142 0.000 0.185 298 N C 1.641 177.051 175.510 -0.167 0.000 1.016 298 N CA 0.679 53.643 53.050 -0.142 0.000 0.863 298 N CB -0.143 38.270 38.487 -0.124 0.000 0.983 298 N HN 0.318 nan 8.380 nan 0.000 0.429 299 I N 1.291 121.782 120.570 -0.131 0.000 2.226 299 I HA -0.243 4.012 4.170 0.142 0.000 0.245 299 I C 1.612 177.656 176.117 -0.122 0.000 1.100 299 I CA 0.862 62.081 61.300 -0.135 0.000 1.374 299 I CB -0.248 37.692 38.000 -0.100 0.000 1.057 299 I HN 0.092 nan 8.210 nan 0.000 0.413 300 N N 0.968 119.616 118.700 -0.086 0.000 2.166 300 N HA -0.162 4.663 4.740 0.142 0.000 0.186 300 N C 1.963 177.441 175.510 -0.054 0.000 1.019 300 N CA 1.040 54.061 53.050 -0.048 0.000 0.856 300 N CB -0.404 38.070 38.487 -0.021 0.000 0.993 300 N HN 0.344 nan 8.380 nan 0.000 0.426 301 L N 1.008 122.160 121.223 -0.118 0.000 1.989 301 L HA -0.141 4.284 4.340 0.142 0.000 0.211 301 L C 1.987 178.595 176.870 -0.435 0.000 1.071 301 L CA 1.270 56.008 54.840 -0.169 0.000 0.749 301 L CB -0.351 41.558 42.059 -0.250 0.000 0.890 301 L HN 0.147 nan 8.230 nan 0.000 0.431 302 L N -0.414 120.485 121.223 -0.540 0.000 2.191 302 L HA -0.231 4.194 4.340 0.142 0.000 0.212 302 L C 2.160 178.997 176.870 -0.057 0.000 1.103 302 L CA 1.186 55.653 54.840 -0.621 0.000 0.769 302 L CB -0.380 41.411 42.059 -0.446 0.000 0.908 302 L HN 0.239 nan 8.230 nan 0.000 0.438 303 K N 0.014 120.411 120.400 -0.004 0.000 2.417 303 K HA 0.017 4.422 4.320 0.142 0.000 0.196 303 K C 0.262 176.941 176.600 0.132 0.000 1.023 303 K CA -0.218 56.145 56.287 0.127 0.000 1.122 303 K CB -0.259 32.277 32.500 0.060 0.000 0.850 303 K HN 0.209 nan 8.250 nan 0.000 0.521 304 N N 3.011 121.812 118.700 0.168 0.000 2.332 304 N HA -0.123 4.702 4.740 0.142 0.000 0.274 304 N C 1.349 176.925 175.510 0.111 0.000 1.351 304 N CA 0.076 53.237 53.050 0.186 0.000 0.875 304 N CB 0.581 39.256 38.487 0.314 0.000 1.140 304 N HN 0.136 nan 8.380 nan 0.000 0.489 305 K N 3.140 123.514 120.400 -0.043 0.000 2.147 305 K HA -0.229 4.176 4.320 0.142 0.000 0.205 305 K C 0.547 177.047 176.600 -0.167 0.000 1.049 305 K CA 1.619 57.818 56.287 -0.147 0.000 0.936 305 K CB -0.222 32.117 32.500 -0.269 0.000 0.722 305 K HN 0.702 nan 8.250 nan 0.000 0.446 306 H N 0.776 119.860 119.070 0.023 0.000 2.384 306 H HA 0.135 4.776 4.556 0.142 0.000 0.300 306 H C 2.221 177.549 175.328 -0.000 0.000 1.057 306 H CA 1.169 57.210 56.048 -0.012 0.000 1.370 306 H CB 0.028 29.743 29.762 -0.078 0.000 1.417 306 H HN -0.019 nan 8.280 nan 0.000 0.527 307 L N 0.208 121.489 121.223 0.096 0.000 2.046 307 L HA -0.166 4.259 4.340 0.142 0.000 0.208 307 L C 2.048 178.962 176.870 0.073 0.000 1.077 307 L CA 0.964 55.823 54.840 0.031 0.000 0.747 307 L CB -0.315 41.766 42.059 0.036 0.000 0.896 307 L HN 0.288 nan 8.230 nan 0.000 0.432 308 L N -0.589 120.692 121.223 0.096 0.000 2.027 308 L HA -0.166 4.259 4.340 0.142 0.000 0.206 308 L C 2.910 179.793 176.870 0.022 0.000 1.074 308 L CA 1.126 55.993 54.840 0.045 0.000 0.745 308 L CB -0.759 41.328 42.059 0.047 0.000 0.898 308 L HN 0.224 nan 8.230 nan 0.000 0.433 309 A N -0.070 122.773 122.820 0.038 0.000 1.908 309 A HA -0.293 4.112 4.320 0.142 0.000 0.218 309 A C 2.188 179.797 177.584 0.042 0.000 1.181 309 A CA 1.795 53.850 52.037 0.030 0.000 0.627 309 A CB -0.889 18.136 19.000 0.043 0.000 0.818 309 A HN 0.419 nan 8.150 nan 0.000 0.445 310 F N 1.323 121.243 119.950 -0.050 0.000 2.102 310 F HA -0.184 4.428 4.527 0.141 0.000 0.298 310 F C 2.209 177.958 175.800 -0.084 0.000 1.105 310 F CA 1.961 59.916 58.000 -0.074 0.000 1.239 310 F CB -0.271 38.670 39.000 -0.098 0.000 0.991 310 F HN 0.355 nan 8.300 nan 0.000 0.474 311 N N 0.067 118.823 118.700 0.092 0.000 2.104 311 N HA -0.196 4.629 4.740 0.142 0.000 0.190 311 N C 1.298 176.713 175.510 -0.158 0.000 1.024 311 N CA 1.411 54.432 53.050 -0.049 0.000 0.853 311 N CB -0.204 38.252 38.487 -0.052 0.000 1.008 311 N HN 0.418 nan 8.380 nan 0.000 0.424 312 Q N 0.970 120.702 119.800 -0.113 0.000 2.320 312 Q HA 0.060 4.485 4.340 0.142 0.000 0.201 312 Q C -0.447 175.514 176.000 -0.065 0.000 0.910 312 Q CA -0.108 55.636 55.803 -0.098 0.000 0.946 312 Q CB -0.274 28.416 28.738 -0.079 0.000 1.062 312 Q HN 0.374 nan 8.270 nan 0.000 0.503 313 D N 1.151 121.490 120.400 -0.101 0.000 2.533 313 D HA -0.056 4.669 4.640 0.142 0.000 0.236 313 D C 0.735 177.107 176.300 0.120 0.000 1.137 313 D CA 0.382 54.360 54.000 -0.036 0.000 0.867 313 D CB 0.893 41.608 40.800 -0.141 0.000 1.170 313 D HN 0.130 nan 8.370 nan 0.000 0.474 314 S N 1.925 117.693 115.700 0.113 0.000 2.557 314 S HA 0.082 4.638 4.470 0.142 0.000 0.223 314 S C 1.202 175.861 174.600 0.100 0.000 0.969 314 S CA -0.277 57.973 58.200 0.083 0.000 0.927 314 S CB 0.586 63.748 63.200 -0.064 0.000 0.806 314 S HN 0.320 nan 8.310 nan 0.000 0.489 315 V N -0.719 119.329 119.914 0.224 0.000 3.013 315 V HA 0.348 4.553 4.120 0.142 0.000 0.238 315 V C -0.327 175.793 176.094 0.043 0.000 1.161 315 V CA 0.173 62.518 62.300 0.075 0.000 1.170 315 V CB -0.326 31.444 31.823 -0.087 0.000 0.917 315 V HN 0.497 nan 8.190 nan 0.000 0.478 316 Y N 1.087 121.442 120.300 0.091 0.000 2.385 316 Y HA 0.631 5.266 4.550 0.142 0.000 0.341 316 Y C 1.278 176.878 175.900 -0.501 0.000 0.965 316 Y CA 0.002 58.011 58.100 -0.153 0.000 1.180 316 Y CB 1.322 39.649 38.460 -0.222 0.000 1.139 316 Y HN 0.047 nan 8.280 nan 0.000 0.502 317 G N 2.029 110.289 108.800 -0.900 0.000 2.494 317 G HA2 -0.046 3.999 3.960 0.142 0.000 0.216 317 G HA3 -0.046 3.999 3.960 0.142 0.000 0.216 317 G C 0.596 175.118 174.900 -0.629 0.000 1.140 317 G CA 0.027 44.176 45.100 -1.584 0.000 0.801 317 G HN 0.369 nan 8.290 nan 0.000 0.536 318 Q N 0.797 120.396 119.800 -0.335 0.000 2.417 318 Q HA 0.268 4.693 4.340 0.142 0.000 0.241 318 Q C -2.130 173.814 176.000 -0.092 0.000 1.008 318 Q CA -1.601 54.115 55.803 -0.145 0.000 0.901 318 Q CB 1.512 30.225 28.738 -0.041 0.000 1.259 318 Q HN 0.212 nan 8.270 nan 0.000 0.489 319 P HA 0.250 nan 4.420 nan 0.000 0.281 319 P C -1.160 176.302 177.300 0.271 0.000 1.281 319 P CA -0.524 62.662 63.100 0.144 0.000 0.811 319 P CB 0.625 32.411 31.700 0.144 0.000 1.154 320 A N 0.837 123.930 122.820 0.456 0.000 2.498 320 A HA 0.478 4.883 4.320 0.142 0.000 0.239 320 A C 0.598 178.404 177.584 0.370 0.000 1.068 320 A CA 0.574 52.829 52.037 0.364 0.000 0.766 320 A CB -0.946 18.157 19.000 0.171 0.000 1.003 320 A HN 0.673 nan 8.150 nan 0.000 0.497 321 T N -0.152 114.554 114.554 0.254 0.000 2.906 321 T HA 0.744 5.180 4.350 0.142 0.000 0.295 321 T C -3.230 171.276 174.700 -0.323 0.000 1.075 321 T CA -2.136 59.972 62.100 0.014 0.000 1.005 321 T CB 1.806 70.684 68.868 0.016 0.000 1.136 321 T HN 0.396 nan 8.240 nan 0.000 0.498 322 P HA 0.186 nan 4.420 nan 0.000 0.276 322 P C -0.335 176.607 177.300 -0.597 0.000 1.235 322 P CA -0.360 61.911 63.100 -1.382 0.000 0.772 322 P CB 0.016 30.395 31.700 -2.202 0.000 0.871 323 Y N 1.607 121.661 120.300 -0.410 0.000 2.442 323 Y HA 0.491 5.126 4.550 0.143 0.000 0.250 323 Y C 0.358 176.150 175.900 -0.181 0.000 1.113 323 Y CA -0.333 57.649 58.100 -0.196 0.000 1.273 323 Y CB 0.483 38.894 38.460 -0.081 0.000 1.138 323 Y HN 0.182 nan 8.280 nan 0.000 0.522 324 K N -0.332 119.733 120.400 -0.559 0.000 2.575 324 K HA 0.084 4.489 4.320 0.142 0.000 0.255 324 K C -0.523 175.949 176.600 -0.213 0.000 0.953 324 K CA -0.594 55.488 56.287 -0.341 0.000 0.840 324 K CB 0.447 32.612 32.500 -0.558 0.000 1.303 324 K HN 0.209 nan 8.250 nan 0.000 0.438 325 W N 3.286 124.399 121.300 -0.311 0.000 2.409 325 W HA -0.024 4.719 4.660 0.139 0.000 0.299 325 W C 1.152 177.692 176.519 0.034 0.000 1.203 325 W CA 2.116 59.359 57.345 -0.170 0.000 1.298 325 W CB 0.406 29.764 29.460 -0.171 0.000 1.127 325 W HN 1.018 nan 8.180 nan 0.000 0.528 326 G N 0.565 109.504 108.800 0.232 0.000 3.110 326 G HA2 -0.339 3.707 3.960 0.142 0.000 0.238 326 G HA3 -0.339 3.707 3.960 0.142 0.000 0.238 326 G C 0.586 175.592 174.900 0.177 0.000 1.647 326 G CA 0.148 45.407 45.100 0.264 0.000 1.146 326 G HN 0.178 nan 8.290 nan 0.000 0.545 327 I N 2.059 122.737 120.570 0.180 0.000 2.226 327 I HA -0.040 4.215 4.170 0.142 0.000 0.245 327 I C 0.854 177.019 176.117 0.081 0.000 1.100 327 I CA 1.417 62.776 61.300 0.098 0.000 1.374 327 I CB -0.321 37.704 38.000 0.041 0.000 1.057 327 I HN 0.418 nan 8.210 nan 0.000 0.413 328 N N 0.813 119.598 118.700 0.142 0.000 2.476 328 N HA 0.297 5.122 4.740 0.142 0.000 0.275 328 N C -2.386 173.179 175.510 0.092 0.000 1.190 328 N CA -1.564 51.557 53.050 0.119 0.000 0.977 328 N CB -0.116 38.471 38.487 0.168 0.000 1.200 328 N HN -0.057 nan 8.380 nan 0.000 0.515 329 P HA 0.020 nan 4.420 nan 0.000 0.267 329 P C -0.629 176.561 177.300 -0.184 0.000 1.200 329 P CA 0.115 63.193 63.100 -0.037 0.000 0.772 329 P CB 0.365 32.050 31.700 -0.025 0.000 0.855 330 D N 2.173 122.415 120.400 -0.264 0.000 2.478 330 D HA -0.120 4.605 4.640 0.142 0.000 0.234 330 D C 0.622 176.298 176.300 -1.040 0.000 1.154 330 D CA 0.637 54.164 54.000 -0.788 0.000 0.874 330 D CB -0.070 40.210 40.800 -0.868 0.000 1.198 330 D HN 0.496 nan 8.370 nan 0.000 0.455 331 W N -0.436 119.525 121.300 -2.232 0.000 4.435 331 W HA -0.226 4.518 4.660 0.140 0.000 0.351 331 W C -0.343 175.920 176.519 -0.427 0.000 1.319 331 W CA 0.132 56.774 57.345 -1.172 0.000 0.791 331 W CB -2.783 26.419 29.460 -0.429 0.000 2.419 331 W HN 0.166 nan 8.180 nan 0.000 1.406 332 T N 1.697 115.964 114.554 -0.478 0.000 2.733 332 T HA 0.336 4.771 4.350 0.142 0.000 0.294 332 T C -0.294 174.706 174.700 0.501 0.000 0.956 332 T CA -0.403 61.743 62.100 0.077 0.000 0.987 332 T CB 0.793 69.690 68.868 0.048 0.000 0.920 332 T HN 0.019 nan 8.240 nan 0.000 0.470 333 F N 5.082 125.194 119.950 0.268 0.000 2.502 333 F HA 0.343 4.956 4.527 0.142 0.000 0.371 333 F C 0.522 176.463 175.800 0.236 0.000 1.083 333 F CA -0.077 58.072 58.000 0.247 0.000 1.174 333 F CB 0.196 39.091 39.000 -0.176 0.000 1.096 333 F HN 0.427 nan 8.300 nan 0.000 0.545 334 N N 5.585 124.231 118.700 -0.091 0.000 2.616 334 N HA 0.079 4.904 4.740 0.142 0.000 0.281 334 N C 0.363 175.791 175.510 -0.138 0.000 1.145 334 N CA -0.247 52.803 53.050 -0.000 0.000 0.919 334 N CB 1.644 40.248 38.487 0.194 0.000 1.509 334 N HN 0.488 nan 8.380 nan 0.000 0.537 335 V N 1.409 121.221 119.914 -0.169 0.000 2.626 335 V HA -0.027 4.178 4.120 0.142 0.000 0.252 335 V C 1.463 177.452 176.094 -0.175 0.000 1.067 335 V CA 1.823 64.010 62.300 -0.187 0.000 1.081 335 V CB -0.719 31.045 31.823 -0.099 0.000 0.686 335 V HN 0.590 nan 8.190 nan 0.000 0.468 336 T N -1.161 113.326 114.554 -0.113 0.000 3.039 336 T HA 0.236 4.672 4.350 0.142 0.000 0.250 336 T C 0.168 174.555 174.700 -0.522 0.000 1.052 336 T CA 0.671 62.601 62.100 -0.282 0.000 1.125 336 T CB -0.163 68.623 68.868 -0.137 0.000 0.908 336 T HN 0.595 nan 8.240 nan 0.000 0.473 337 Y N 2.282 122.591 120.300 0.014 0.000 2.658 337 Y HA 0.344 4.979 4.550 0.142 0.000 0.362 337 Y C -2.532 173.412 175.900 0.073 0.000 1.017 337 Y CA -2.873 55.265 58.100 0.063 0.000 1.134 337 Y CB 0.940 39.461 38.460 0.101 0.000 1.144 337 Y HN 0.096 nan 8.280 nan 0.000 0.655 338 P HA 0.186 nan 4.420 nan 0.000 0.279 338 P C -0.090 177.210 177.300 0.001 0.000 1.282 338 P CA -0.485 62.651 63.100 0.059 0.000 0.788 338 P CB 0.806 32.492 31.700 -0.024 0.000 1.139 339 A N 0.707 123.315 122.820 -0.352 0.000 2.567 339 A HA -0.048 4.357 4.320 0.142 0.000 0.240 339 A C 1.058 178.519 177.584 -0.206 0.000 1.053 339 A CA 0.475 51.979 52.037 -0.887 0.000 0.755 339 A CB -0.695 17.093 19.000 -2.020 0.000 0.978 339 A HN 0.569 nan 8.150 nan 0.000 0.507 340 E N 0.853 120.953 120.200 -0.167 0.000 2.340 340 E HA 0.140 4.575 4.350 0.142 0.000 0.198 340 E C -0.880 175.592 176.600 -0.215 0.000 0.961 340 E CA 0.329 56.675 56.400 -0.089 0.000 0.905 340 E CB 0.295 29.902 29.700 -0.155 0.000 0.884 340 E HN 0.697 nan 8.360 nan 0.000 0.491 341 F N 0.368 120.126 119.950 -0.320 0.000 2.388 341 F HA 0.359 4.971 4.527 0.142 0.000 0.358 341 F C -0.711 174.690 175.800 -0.664 0.000 1.122 341 F CA -0.824 56.880 58.000 -0.494 0.000 1.056 341 F CB 0.680 39.078 39.000 -1.004 0.000 1.155 341 F HN -0.133 nan 8.300 nan 0.000 0.461 342 W N 2.554 123.776 121.300 -0.131 0.000 2.819 342 W HA 0.808 5.551 4.660 0.140 0.000 0.337 342 W C -0.785 175.853 176.519 0.197 0.000 1.077 342 W CA -1.082 56.258 57.345 -0.008 0.000 1.226 342 W CB 1.984 31.370 29.460 -0.124 0.000 1.419 342 W HN 0.618 nan 8.180 nan 0.000 0.502 343 A N 1.454 124.523 122.820 0.414 0.000 2.589 343 A HA 0.944 5.349 4.320 0.142 0.000 0.296 343 A C -0.816 176.890 177.584 0.204 0.000 1.062 343 A CA -0.421 51.769 52.037 0.256 0.000 0.686 343 A CB 1.453 20.573 19.000 0.201 0.000 1.282 343 A HN 1.078 nan 8.150 nan 0.000 0.404 344 G N 0.997 109.889 108.800 0.155 0.000 2.720 344 G HA2 0.752 4.798 3.960 0.142 0.000 0.295 344 G HA3 0.752 4.798 3.960 0.142 0.000 0.295 344 G C -3.441 171.471 174.900 0.020 0.000 1.437 344 G CA -1.197 44.018 45.100 0.192 0.000 0.886 344 G HN 0.535 nan 8.290 nan 0.000 0.509 345 P HA 0.440 nan 4.420 nan 0.000 0.274 345 P C -0.154 176.673 177.300 -0.789 0.000 1.237 345 P CA -0.144 62.398 63.100 -0.929 0.000 0.793 345 P CB 1.766 32.918 31.700 -0.913 0.000 0.977 346 S N -0.850 114.297 115.700 -0.922 0.000 2.672 346 S HA 0.308 4.863 4.470 0.142 0.000 0.271 346 S C 0.979 175.264 174.600 -0.525 0.000 1.171 346 S CA -0.458 57.297 58.200 -0.742 0.000 0.817 346 S CB 0.518 63.579 63.200 -0.232 0.000 1.150 346 S HN 0.191 nan 8.310 nan 0.000 0.478 347 S N 0.481 116.124 115.700 -0.096 0.000 2.399 347 S HA 0.001 4.556 4.470 0.142 0.000 0.231 347 S C 1.344 175.951 174.600 0.010 0.000 1.022 347 S CA 1.355 59.600 58.200 0.075 0.000 0.983 347 S CB -0.463 62.808 63.200 0.118 0.000 0.803 347 S HN 0.650 nan 8.310 nan 0.000 0.480 348 K N 0.671 121.064 120.400 -0.012 0.000 2.459 348 K HA 0.310 4.716 4.320 0.142 0.000 0.193 348 K C 0.845 177.428 176.600 -0.027 0.000 1.030 348 K CA 0.402 56.695 56.287 0.009 0.000 1.026 348 K CB 0.194 32.727 32.500 0.056 0.000 0.809 348 K HN 0.392 nan 8.250 nan 0.000 0.504 349 G N -0.835 107.916 108.800 -0.082 0.000 2.343 349 G HA2 -0.114 3.931 3.960 0.142 0.000 0.465 349 G HA3 -0.114 3.931 3.960 0.142 0.000 0.465 349 G C -1.611 173.201 174.900 -0.147 0.000 1.282 349 G CA -0.996 44.050 45.100 -0.089 0.000 0.996 349 G HN 0.143 nan 8.290 nan 0.000 0.521 350 H N -0.406 118.540 119.070 -0.207 0.000 2.620 350 H HA 0.437 5.078 4.556 0.142 0.000 0.313 350 H C -0.187 175.028 175.328 -0.189 0.000 1.075 350 H CA -0.184 55.747 56.048 -0.195 0.000 1.397 350 H CB 1.879 31.476 29.762 -0.274 0.000 1.446 350 H HN 0.400 nan 8.280 nan 0.000 0.493 351 L N 4.912 126.075 121.223 -0.099 0.000 2.292 351 L HA 0.238 4.663 4.340 0.142 0.000 0.284 351 L C -0.840 175.938 176.870 -0.154 0.000 1.065 351 L CA -0.331 54.354 54.840 -0.258 0.000 0.806 351 L CB 0.957 42.595 42.059 -0.702 0.000 1.175 351 L HN 0.283 nan 8.230 nan 0.000 0.431 352 V N 6.212 126.065 119.914 -0.102 0.000 2.588 352 V HA 0.550 4.755 4.120 0.142 0.000 0.304 352 V C -0.668 175.442 176.094 0.027 0.000 1.042 352 V CA -0.582 61.754 62.300 0.061 0.000 0.877 352 V CB 1.767 33.696 31.823 0.175 0.000 0.996 352 V HN 0.555 nan 8.190 nan 0.000 0.425 353 L N 5.304 126.587 121.223 0.100 0.000 2.386 353 L HA 0.705 5.130 4.340 0.142 0.000 0.271 353 L C -0.409 176.499 176.870 0.062 0.000 0.993 353 L CA -0.290 54.567 54.840 0.027 0.000 0.819 353 L CB 2.022 44.027 42.059 -0.089 0.000 1.294 353 L HN 0.509 nan 8.230 nan 0.000 0.414 354 M N 3.348 122.943 119.600 -0.009 0.000 2.106 354 M HA 0.482 5.047 4.480 0.142 0.000 0.288 354 M C -1.224 174.986 176.300 -0.149 0.000 0.941 354 M CA -0.597 54.573 55.300 -0.217 0.000 0.934 354 M CB 2.203 34.683 32.600 -0.201 0.000 1.551 354 M HN 0.185 nan 8.290 nan 0.000 0.437 355 V N 2.930 122.741 119.914 -0.172 0.000 2.383 355 V HA 0.232 4.437 4.120 0.142 0.000 0.275 355 V C 0.077 176.160 176.094 -0.018 0.000 1.036 355 V CA -0.639 61.645 62.300 -0.028 0.000 0.889 355 V CB 1.345 33.184 31.823 0.028 0.000 0.985 355 V HN 0.741 nan 8.190 nan 0.000 0.459 356 N N 3.535 122.263 118.700 0.046 0.000 2.482 356 N HA 0.090 4.915 4.740 0.142 0.000 0.242 356 N C 1.195 176.816 175.510 0.185 0.000 1.100 356 N CA 0.100 53.196 53.050 0.076 0.000 0.946 356 N CB 1.181 39.695 38.487 0.044 0.000 1.227 356 N HN 0.769 nan 8.380 nan 0.000 0.508 357 T N 0.534 115.236 114.554 0.247 0.000 3.113 357 T HA 0.118 4.553 4.350 0.142 0.000 0.256 357 T C 1.054 175.996 174.700 0.403 0.000 1.131 357 T CA 0.178 62.491 62.100 0.354 0.000 1.074 357 T CB -0.112 68.939 68.868 0.305 0.000 0.944 357 T HN 0.263 nan 8.240 nan 0.000 0.516 358 L N 1.351 122.783 121.223 0.348 0.000 2.439 358 L HA 0.363 4.789 4.340 0.142 0.000 0.261 358 L C 1.072 178.056 176.870 0.190 0.000 1.153 358 L CA -0.451 54.580 54.840 0.317 0.000 0.808 358 L CB 0.487 42.660 42.059 0.190 0.000 1.126 358 L HN 0.009 nan 8.230 nan 0.000 0.460 359 D N 1.015 121.476 120.400 0.102 0.000 2.395 359 D HA 0.267 4.992 4.640 0.142 0.000 0.226 359 D C -0.602 175.613 176.300 -0.140 0.000 1.146 359 D CA 0.008 53.916 54.000 -0.152 0.000 0.830 359 D CB -0.109 40.618 40.800 -0.120 0.000 0.958 359 D HN 0.326 nan 8.370 nan 0.000 0.501 360 I N -3.968 116.563 120.570 -0.064 0.000 2.994 360 I HA 0.407 4.662 4.170 0.142 0.000 0.306 360 I C 0.118 176.209 176.117 -0.044 0.000 1.195 360 I CA -1.078 60.187 61.300 -0.059 0.000 1.001 360 I CB 1.451 39.436 38.000 -0.025 0.000 1.244 360 I HN -0.421 nan 8.210 nan 0.000 0.437 361 T N 2.965 117.489 114.554 -0.049 0.000 2.905 361 T HA 0.455 4.890 4.350 0.142 0.000 0.299 361 T C 0.046 174.738 174.700 -0.012 0.000 1.024 361 T CA 0.518 62.597 62.100 -0.035 0.000 1.151 361 T CB 0.062 68.908 68.868 -0.038 0.000 0.987 361 T HN 0.881 nan 8.240 nan 0.000 0.535 362 A N 3.078 125.897 122.820 -0.003 0.000 2.498 362 A HA 0.698 5.103 4.320 0.142 0.000 0.298 362 A C 0.011 177.598 177.584 0.005 0.000 1.075 362 A CA -0.856 51.188 52.037 0.012 0.000 0.714 362 A CB 1.570 20.591 19.000 0.036 0.000 1.299 362 A HN 0.641 nan 8.150 nan 0.000 0.407 363 T N 2.562 117.120 114.554 0.007 0.000 2.767 363 T HA 0.437 4.872 4.350 0.142 0.000 0.288 363 T C -0.351 174.365 174.700 0.026 0.000 0.963 363 T CA -0.119 61.977 62.100 -0.006 0.000 1.019 363 T CB 0.286 69.144 68.868 -0.017 0.000 0.923 363 T HN 0.505 nan 8.240 nan 0.000 0.468 364 K N 2.784 123.194 120.400 0.016 0.000 2.324 364 K HA 0.470 4.875 4.320 0.142 0.000 0.253 364 K C -0.499 176.154 176.600 0.089 0.000 0.932 364 K CA -0.800 55.548 56.287 0.101 0.000 0.799 364 K CB 2.620 35.124 32.500 0.007 0.000 1.154 364 K HN 0.578 nan 8.250 nan 0.000 0.425 365 E N 1.741 122.063 120.200 0.202 0.000 2.199 365 E HA 0.403 4.839 4.350 0.142 0.000 0.265 365 E C -1.434 175.275 176.600 0.181 0.000 0.882 365 E CA -0.755 55.691 56.400 0.076 0.000 0.759 365 E CB 1.581 31.260 29.700 -0.034 0.000 1.148 365 E HN 0.693 nan 8.360 nan 0.000 0.412 366 A N 5.120 128.021 122.820 0.134 0.000 2.302 366 A HA 0.329 4.735 4.320 0.142 0.000 0.295 366 A C -0.546 176.877 177.584 -0.268 0.000 1.235 366 A CA -0.372 51.755 52.037 0.150 0.000 0.876 366 A CB 0.256 19.442 19.000 0.311 0.000 1.133 366 A HN 0.576 nan 8.150 nan 0.000 0.533 367 K N 2.740 123.034 120.400 -0.177 0.000 2.339 367 K HA 0.213 4.618 4.320 0.142 0.000 0.264 367 K C -0.173 176.337 176.600 -0.150 0.000 0.986 367 K CA -0.400 55.692 56.287 -0.326 0.000 0.866 367 K CB 1.339 33.731 32.500 -0.181 0.000 1.103 367 K HN 0.900 nan 8.250 nan 0.000 0.441 368 W N 2.286 123.552 121.300 -0.057 0.000 2.342 368 W HA -0.245 4.500 4.660 0.142 0.000 0.297 368 W C 1.643 178.090 176.519 -0.121 0.000 1.213 368 W CA 0.980 58.259 57.345 -0.111 0.000 1.251 368 W CB -0.388 29.076 29.460 0.007 0.000 1.136 368 W HN 0.722 nan 8.180 nan 0.000 0.526 369 N N 0.908 119.679 118.700 0.118 0.000 2.381 369 N HA -0.172 4.654 4.740 0.142 0.000 0.182 369 N C 1.286 176.792 175.510 -0.007 0.000 1.025 369 N CA 1.195 54.276 53.050 0.053 0.000 0.888 369 N CB -0.558 37.952 38.487 0.038 0.000 0.965 369 N HN 0.331 nan 8.380 nan 0.000 0.438 370 E N 0.464 120.636 120.200 -0.047 0.000 2.285 370 E HA 0.081 4.516 4.350 0.142 0.000 0.194 370 E C 0.203 176.659 176.600 -0.239 0.000 0.997 370 E CA 0.305 56.662 56.400 -0.072 0.000 0.845 370 E CB 0.248 29.947 29.700 -0.003 0.000 0.782 370 E HN 0.473 nan 8.360 nan 0.000 0.491 371 I N 2.968 123.328 120.570 -0.349 0.000 2.312 371 I HA 0.135 4.391 4.170 0.142 0.000 0.291 371 I C -2.333 173.638 176.117 -0.244 0.000 1.031 371 I CA -2.459 58.526 61.300 -0.526 0.000 1.293 371 I CB 0.826 38.523 38.000 -0.505 0.000 1.403 371 I HN -0.315 nan 8.210 nan 0.000 0.484 372 P HA 0.029 nan 4.420 nan 0.000 0.261 372 P C 0.848 178.137 177.300 -0.019 0.000 1.183 372 P CA 0.751 63.837 63.100 -0.024 0.000 0.761 372 P CB 0.560 32.289 31.700 0.050 0.000 0.785 373 G N 2.007 110.794 108.800 -0.022 0.000 2.213 373 G HA2 -0.196 3.849 3.960 0.142 0.000 0.236 373 G HA3 -0.196 3.849 3.960 0.142 0.000 0.236 373 G C -0.089 174.652 174.900 -0.265 0.000 0.991 373 G CA -0.370 44.718 45.100 -0.020 0.000 0.629 373 G HN 0.449 nan 8.290 nan 0.000 0.517 374 L N 0.628 121.655 121.223 -0.327 0.000 2.304 374 L HA 0.842 5.267 4.340 0.142 0.000 0.268 374 L C 0.347 177.201 176.870 -0.025 0.000 1.010 374 L CA -0.798 53.854 54.840 -0.313 0.000 0.813 374 L CB 2.080 43.825 42.059 -0.523 0.000 1.315 374 L HN 0.223 nan 8.230 nan 0.000 0.445 375 S N -0.650 115.141 115.700 0.152 0.000 2.651 375 S HA 0.679 5.234 4.470 0.142 0.000 0.279 375 S C -0.554 174.218 174.600 0.286 0.000 1.148 375 S CA -0.788 57.514 58.200 0.172 0.000 0.837 375 S CB 1.675 64.952 63.200 0.127 0.000 1.138 375 S HN 0.721 nan 8.310 nan 0.000 0.478 376 A N 0.234 123.176 122.820 0.203 0.000 2.555 376 A HA 0.598 5.004 4.320 0.142 0.000 0.233 376 A C 0.986 178.686 177.584 0.194 0.000 1.060 376 A CA 0.902 53.063 52.037 0.208 0.000 0.759 376 A CB -0.889 18.176 19.000 0.108 0.000 0.995 376 A HN 1.933 nan 8.150 nan 0.000 0.506 377 G N 0.935 109.859 108.800 0.207 0.000 2.332 377 G HA2 0.338 4.383 3.960 0.142 0.000 0.265 377 G HA3 0.338 4.383 3.960 0.142 0.000 0.265 377 G C -1.153 173.780 174.900 0.054 0.000 1.329 377 G CA -0.708 44.443 45.100 0.085 0.000 0.949 377 G HN 1.025 nan 8.290 nan 0.000 0.476 378 H N -0.400 118.622 119.070 -0.080 0.000 2.589 378 H HA 0.588 5.229 4.556 0.142 0.000 0.351 378 H C -1.254 173.905 175.328 -0.282 0.000 1.074 378 H CA -0.132 55.932 56.048 0.028 0.000 1.203 378 H CB 1.870 31.655 29.762 0.039 0.000 1.558 378 H HN 0.403 nan 8.280 nan 0.000 0.522 379 Y N 0.562 120.883 120.300 0.034 0.000 2.524 379 Y HA 0.154 4.790 4.550 0.143 0.000 0.344 379 Y C 0.543 176.414 175.900 -0.048 0.000 1.012 379 Y CA -0.872 57.133 58.100 -0.159 0.000 1.068 379 Y CB 1.662 39.771 38.460 -0.586 0.000 1.249 379 Y HN 0.527 nan 8.280 nan 0.000 0.468 380 E N 1.438 121.696 120.200 0.096 0.000 2.344 380 E HA 0.382 4.818 4.350 0.142 0.000 0.270 380 E C -1.221 175.384 176.600 0.008 0.000 1.021 380 E CA -0.161 56.274 56.400 0.058 0.000 0.887 380 E CB 0.907 30.626 29.700 0.031 0.000 0.997 380 E HN 0.246 nan 8.360 nan 0.000 0.429 381 V N 3.878 123.801 119.914 0.014 0.000 2.656 381 V HA 0.467 4.672 4.120 0.142 0.000 0.307 381 V C -0.342 175.702 176.094 -0.083 0.000 1.051 381 V CA -0.834 61.434 62.300 -0.053 0.000 0.893 381 V CB 1.980 33.812 31.823 0.015 0.000 0.999 381 V HN 0.591 nan 8.190 nan 0.000 0.426 382 R N 2.089 122.492 120.500 -0.163 0.000 2.561 382 R HA 0.375 4.800 4.340 0.142 0.000 0.297 382 R C -0.955 175.199 176.300 -0.243 0.000 0.969 382 R CA -0.618 55.376 56.100 -0.176 0.000 0.879 382 R CB 1.524 31.697 30.300 -0.212 0.000 1.178 382 R HN 0.813 nan 8.270 nan 0.000 0.445 383 D N 3.737 124.033 120.400 -0.172 0.000 2.371 383 D HA 0.006 4.731 4.640 0.142 0.000 0.256 383 D C 0.867 177.059 176.300 -0.180 0.000 1.193 383 D CA 0.148 54.055 54.000 -0.154 0.000 0.881 383 D CB 1.660 42.457 40.800 -0.006 0.000 1.143 383 D HN 0.332 nan 8.370 nan 0.000 0.473 384 V N 4.542 124.267 119.914 -0.315 0.000 2.548 384 V HA -0.184 4.022 4.120 0.142 0.000 0.249 384 V C 1.756 177.764 176.094 -0.143 0.000 1.055 384 V CA 1.158 63.251 62.300 -0.345 0.000 1.065 384 V CB -0.429 31.073 31.823 -0.536 0.000 0.681 384 V HN 0.659 nan 8.190 nan 0.000 0.462 385 W N 0.532 121.861 121.300 0.047 0.000 2.409 385 W HA -0.138 4.607 4.660 0.141 0.000 0.299 385 W C 2.670 179.224 176.519 0.058 0.000 1.203 385 W CA 0.997 58.377 57.345 0.059 0.000 1.298 385 W CB -0.277 29.209 29.460 0.044 0.000 1.127 385 W HN 0.344 nan 8.180 nan 0.000 0.528 386 S N -1.362 114.499 115.700 0.269 0.000 2.511 386 S HA 0.057 4.612 4.470 0.142 0.000 0.214 386 S C 0.610 175.289 174.600 0.132 0.000 0.997 386 S CA 0.611 58.916 58.200 0.175 0.000 0.908 386 S CB 0.064 63.349 63.200 0.141 0.000 0.803 386 S HN 0.247 nan 8.310 nan 0.000 0.504 387 D N 0.938 121.413 120.400 0.126 0.000 3.079 387 D HA -0.157 4.569 4.640 0.142 0.000 0.214 387 D C -0.539 175.800 176.300 0.064 0.000 1.145 387 D CA 0.932 55.007 54.000 0.124 0.000 0.958 387 D CB -1.626 39.281 40.800 0.179 0.000 1.117 387 D HN 0.594 nan 8.370 nan 0.000 0.416 388 K N 0.814 121.243 120.400 0.048 0.000 2.322 388 K HA 0.161 4.566 4.320 0.142 0.000 0.283 388 K C -0.134 176.473 176.600 0.012 0.000 1.042 388 K CA -0.602 55.708 56.287 0.039 0.000 0.958 388 K CB 0.653 33.186 32.500 0.056 0.000 0.984 388 K HN 0.101 nan 8.250 nan 0.000 0.473 389 D N 3.585 123.996 120.400 0.019 0.000 2.412 389 D HA -0.041 4.685 4.640 0.142 0.000 0.257 389 D C 0.341 176.661 176.300 0.034 0.000 1.217 389 D CA 0.296 54.306 54.000 0.016 0.000 0.897 389 D CB 0.555 41.370 40.800 0.025 0.000 1.132 389 D HN 0.413 nan 8.370 nan 0.000 0.493 390 L N 3.092 124.335 121.223 0.033 0.000 2.607 390 L HA 0.322 4.748 4.340 0.142 0.000 0.228 390 L C 1.524 178.453 176.870 0.098 0.000 1.123 390 L CA 0.161 55.045 54.840 0.074 0.000 0.890 390 L CB -0.533 41.574 42.059 0.080 0.000 1.103 390 L HN 0.691 nan 8.230 nan 0.000 0.468 391 G N -0.354 108.493 108.800 0.079 0.000 2.548 391 G HA2 -0.264 3.781 3.960 0.142 0.000 0.208 391 G HA3 -0.264 3.781 3.960 0.142 0.000 0.208 391 G C -0.714 174.261 174.900 0.124 0.000 1.308 391 G CA -0.407 44.749 45.100 0.092 0.000 0.924 391 G HN 0.049 nan 8.290 nan 0.000 0.540 392 c N 1.330 120.016 118.600 0.143 0.000 2.225 392 c HA 0.771 5.426 4.570 0.142 0.000 0.328 392 c C 0.478 174.775 174.090 0.346 0.000 1.187 392 c CA -0.570 55.876 56.329 0.195 0.000 1.665 392 c CB -1.983 40.596 42.510 0.115 0.000 2.253 392 c HN 0.619 nan 8.230 nan 0.000 0.497 393 L N 5.716 127.189 121.223 0.417 0.000 2.346 393 L HA 0.463 4.888 4.340 0.142 0.000 0.274 393 L C 1.215 178.342 176.870 0.429 0.000 1.007 393 L CA -0.228 54.877 54.840 0.442 0.000 0.818 393 L CB 2.276 44.608 42.059 0.456 0.000 1.284 393 L HN 0.748 nan 8.230 nan 0.000 0.424 394 S N -0.694 115.019 115.700 0.022 0.000 2.528 394 S HA 0.160 4.715 4.470 0.142 0.000 0.219 394 S C 0.438 174.797 174.600 -0.401 0.000 0.985 394 S CA 0.282 58.312 58.200 -0.284 0.000 0.914 394 S CB -0.005 62.900 63.200 -0.491 0.000 0.776 394 S HN 0.768 nan 8.310 nan 0.000 0.526 395 S N -0.709 114.747 115.700 -0.407 0.000 2.656 395 S HA 0.522 5.078 4.470 0.142 0.000 0.265 395 S C -1.734 172.659 174.600 -0.344 0.000 1.110 395 S CA -1.065 56.581 58.200 -0.923 0.000 0.821 395 S CB 0.577 63.414 63.200 -0.605 0.000 1.099 395 S HN 0.543 nan 8.310 nan 0.000 0.471 396 Y N 0.817 120.838 120.300 -0.466 0.000 2.354 396 Y HA 0.724 5.359 4.550 0.142 0.000 0.330 396 Y C -0.985 174.877 175.900 -0.063 0.000 1.011 396 Y CA -0.437 57.597 58.100 -0.109 0.000 1.099 396 Y CB 1.474 39.986 38.460 0.087 0.000 1.179 396 Y HN 0.957 nan 8.280 nan 0.000 0.442 397 K N 4.881 124.909 120.400 -0.621 0.000 2.323 397 K HA 0.891 5.296 4.320 0.142 0.000 0.259 397 K C -1.586 174.598 176.600 -0.693 0.000 0.947 397 K CA -0.722 55.266 56.287 -0.498 0.000 0.819 397 K CB 1.428 33.781 32.500 -0.245 0.000 1.109 397 K HN 0.749 nan 8.250 nan 0.000 0.429 398 A N 2.149 124.667 122.820 -0.504 0.000 2.475 398 A HA 0.737 5.142 4.320 0.142 0.000 0.301 398 A C -1.227 176.288 177.584 -0.115 0.000 1.059 398 A CA -0.821 51.043 52.037 -0.288 0.000 0.710 398 A CB 1.626 20.514 19.000 -0.187 0.000 1.288 398 A HN 0.740 nan 8.150 nan 0.000 0.408 399 A N 1.386 124.167 122.820 -0.065 0.000 2.395 399 A HA 0.529 4.934 4.320 0.142 0.000 0.286 399 A C -0.201 177.376 177.584 -0.011 0.000 1.193 399 A CA -0.054 51.964 52.037 -0.032 0.000 0.852 399 A CB -0.652 18.333 19.000 -0.026 0.000 1.118 399 A HN 1.188 nan 8.150 nan 0.000 0.524 400 V N 3.120 123.031 119.914 -0.007 0.000 2.398 400 V HA 0.546 4.751 4.120 0.142 0.000 0.286 400 V C 0.961 177.044 176.094 -0.019 0.000 1.026 400 V CA -0.445 61.859 62.300 0.006 0.000 0.868 400 V CB 0.852 32.687 31.823 0.022 0.000 0.982 400 V HN 1.115 nan 8.190 nan 0.000 0.443 401 A N 3.952 126.749 122.820 -0.038 0.000 2.475 401 A HA 0.561 4.966 4.320 0.142 0.000 0.239 401 A C 1.003 178.529 177.584 -0.096 0.000 1.087 401 A CA 0.383 52.375 52.037 -0.076 0.000 0.779 401 A CB 0.050 18.989 19.000 -0.102 0.000 1.036 401 A HN 1.622 nan 8.150 nan 0.000 0.506 402 A N 0.810 123.538 122.820 -0.153 0.000 2.566 402 A HA 0.371 4.776 4.320 0.142 0.000 0.245 402 A C 0.737 178.147 177.584 -0.291 0.000 1.056 402 A CA 0.810 52.702 52.037 -0.242 0.000 0.757 402 A CB -0.748 18.021 19.000 -0.385 0.000 0.979 402 A HN 1.561 nan 8.150 nan 0.000 0.508 403 H N -0.614 118.251 119.070 -0.342 0.000 3.179 403 H HA -0.140 4.502 4.556 0.143 0.000 0.250 403 H C 0.109 175.235 175.328 -0.337 0.000 1.142 403 H CA 1.264 56.938 56.048 -0.625 0.000 1.165 403 H CB -1.710 27.272 29.762 -1.301 0.000 1.253 403 H HN 0.843 nan 8.280 nan 0.000 0.325 404 D N -0.132 120.232 120.400 -0.060 0.000 2.388 404 D HA 0.502 5.227 4.640 0.142 0.000 0.254 404 D C 0.196 176.537 176.300 0.068 0.000 1.111 404 D CA 0.054 54.039 54.000 -0.025 0.000 0.993 404 D CB 1.068 41.832 40.800 -0.060 0.000 1.118 404 D HN 0.159 nan 8.370 nan 0.000 0.502 405 T N 0.658 115.296 114.554 0.139 0.000 2.840 405 T HA 0.628 5.063 4.350 0.142 0.000 0.287 405 T C -0.531 174.396 174.700 0.377 0.000 0.991 405 T CA -0.591 61.637 62.100 0.214 0.000 0.964 405 T CB 1.375 70.386 68.868 0.239 0.000 0.954 405 T HN 0.410 nan 8.240 nan 0.000 0.438 406 A N 3.190 126.168 122.820 0.264 0.000 2.409 406 A HA 0.651 5.056 4.320 0.142 0.000 0.262 406 A C -0.218 177.480 177.584 0.189 0.000 1.113 406 A CA -0.339 51.890 52.037 0.320 0.000 0.790 406 A CB 0.152 19.333 19.000 0.301 0.000 1.046 406 A HN 0.690 nan 8.150 nan 0.000 0.496 407 V N 4.535 124.458 119.914 0.014 0.000 2.525 407 V HA 0.533 4.738 4.120 0.142 0.000 0.299 407 V C -0.271 175.613 176.094 -0.350 0.000 1.034 407 V CA -0.233 61.900 62.300 -0.278 0.000 0.863 407 V CB 1.120 32.559 31.823 -0.639 0.000 0.999 407 V HN 0.871 nan 8.190 nan 0.000 0.423 408 I N 2.458 122.855 120.570 -0.288 0.000 2.934 408 I HA 0.786 5.042 4.170 0.142 0.000 0.306 408 I C -1.497 174.447 176.117 -0.289 0.000 1.110 408 I CA -1.244 59.855 61.300 -0.335 0.000 1.019 408 I CB 2.329 40.074 38.000 -0.426 0.000 1.227 408 I HN 0.440 nan 8.210 nan 0.000 0.434 409 L N 4.851 125.893 121.223 -0.303 0.000 2.305 409 L HA 0.597 5.023 4.340 0.142 0.000 0.284 409 L C -0.794 175.936 176.870 -0.233 0.000 1.013 409 L CA -0.504 54.180 54.840 -0.261 0.000 0.819 409 L CB 1.686 43.560 42.059 -0.308 0.000 1.227 409 L HN 0.516 nan 8.230 nan 0.000 0.417 410 V N 6.006 125.776 119.914 -0.241 0.000 2.383 410 V HA 0.685 4.890 4.120 0.142 0.000 0.275 410 V C 0.857 176.812 176.094 -0.232 0.000 1.036 410 V CA 0.092 62.182 62.300 -0.350 0.000 0.889 410 V CB 0.547 31.962 31.823 -0.680 0.000 0.985 410 V HN 0.933 nan 8.190 nan 0.000 0.459 411 G N 4.686 113.403 108.800 -0.138 0.000 2.882 411 G HA2 0.363 4.408 3.960 0.142 0.000 0.164 411 G HA3 0.363 4.408 3.960 0.142 0.000 0.164 411 G C -0.089 174.844 174.900 0.054 0.000 1.429 411 G CA -0.789 44.287 45.100 -0.040 0.000 1.059 411 G HN 0.718 nan 8.290 nan 0.000 0.581 412 K N 0.294 120.731 120.400 0.062 0.000 2.258 412 K HA 0.387 4.792 4.320 0.142 0.000 0.264 412 K C -0.227 176.415 176.600 0.070 0.000 1.007 412 K CA -0.492 55.844 56.287 0.081 0.000 0.941 412 K CB 1.221 33.743 32.500 0.037 0.000 0.966 412 K HN 0.226 nan 8.250 nan 0.000 0.480 413 K N 0.652 121.035 120.400 -0.028 0.000 2.440 413 K HA 0.018 4.424 4.320 0.142 0.000 0.270 413 K C -0.464 176.054 176.600 -0.136 0.000 0.980 413 K CA -0.037 56.068 56.287 -0.305 0.000 0.953 413 K CB 0.259 32.544 32.500 -0.360 0.000 0.925 413 K HN 0.899 nan 8.250 nan 0.000 0.497 414 c N 0.683 119.208 118.600 -0.126 0.000 3.291 414 c HA 0.443 5.098 4.570 0.142 0.000 0.316 414 c C -0.618 173.453 174.090 -0.032 0.000 1.391 414 c CA -1.108 55.196 56.329 -0.042 0.000 1.394 414 c CB 1.434 43.943 42.510 -0.002 0.000 1.744 414 c HN 0.909 nan 8.230 nan 0.000 0.461 415 Q N 0.949 120.725 119.800 -0.041 0.000 2.447 415 Q HA -0.200 4.226 4.340 0.142 0.000 0.348 415 Q C 0.316 176.283 176.000 -0.056 0.000 1.421 415 Q CA 0.940 56.699 55.803 -0.074 0.000 0.978 415 Q CB -0.222 28.419 28.738 -0.162 0.000 1.191 415 Q HN 0.987 nan 8.270 nan 0.000 0.371 416 R N -0.256 120.253 120.500 0.015 0.000 2.541 416 R HA 0.635 5.060 4.340 0.142 0.000 0.254 416 R C 0.004 176.411 176.300 0.178 0.000 1.130 416 R CA -0.215 55.941 56.100 0.095 0.000 1.152 416 R CB 0.782 31.120 30.300 0.064 0.000 1.222 416 R HN 0.300 nan 8.270 nan 0.000 0.579 417 W N 0.000 121.288 121.300 -0.020 0.000 2.388 417 W HA 0.000 4.745 4.660 0.142 0.000 0.303 417 W CA 0.000 57.336 57.345 -0.015 0.000 1.226 417 W CB 0.000 29.454 29.460 -0.010 0.000 1.126 417 W HN 0.000 nan 8.180 nan 0.000 0.535