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 2tmg_1_B DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMNLPFGGG DATA SEQUENCE KGGVRVDPKK LSRRELERLS RRFFREIQVI IGPYNDIPAP DVNTNADVIA DATA SEQUENCE WYMDEYEMNV GHTVLGIVTG KPVELGGSKG REEATGRGVK VCAGLAMDVL DATA SEQUENCE GIDPKKATVA VQGFGNVGQF AALLISQELG SKVVAVSDSR GGIYNPEGFD DATA SEQUENCE VEELIRYKKE HGTVVTYPKG ERITNEELLE LDVDILVPAA LEGAIHAGNA DATA SEQUENCE ERIKAKAVVE GANGPTTPEA DEILSRRGIL VVPDILANAG GVTVSYFEWV DATA SEQUENCE QDLQSFFWDL DQVRNALEKM MKGAFNDVMK VKEKYNVDMR TAAYILAIDR DATA SEQUENCE VAYATKKR 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.602 174.600 0.004 0.000 1.055 4 S CA 0.000 58.201 58.200 0.001 0.000 1.107 4 S CB 0.000 63.207 63.200 0.011 0.000 0.593 5 L N 2.872 124.112 121.223 0.028 0.000 2.013 5 L HA 0.011 4.351 4.340 -0.000 0.000 0.212 5 L C 2.003 178.899 176.870 0.043 0.000 1.073 5 L CA 2.522 57.392 54.840 0.051 0.000 0.753 5 L CB -1.607 40.489 42.059 0.062 0.000 0.890 5 L HN 0.973 nan 8.230 nan 0.000 0.432 6 Y N 1.061 121.280 120.300 -0.134 0.000 2.089 6 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 6 Y C 2.610 178.329 175.900 -0.302 0.000 1.139 6 Y CA 2.086 60.033 58.100 -0.255 0.000 1.123 6 Y CB -0.455 37.868 38.460 -0.228 0.000 0.980 6 Y HN 0.307 nan 8.280 nan 0.000 0.493 7 E N -0.399 119.601 120.200 -0.334 0.000 2.130 7 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 7 E C 2.298 178.710 176.600 -0.312 0.000 0.998 7 E CA 1.754 57.921 56.400 -0.389 0.000 0.806 7 E CB -0.279 29.314 29.700 -0.179 0.000 0.738 7 E HN 0.513 nan 8.360 nan 0.000 0.459 8 M N -0.394 119.093 119.600 -0.189 0.000 2.213 8 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 8 M C 2.272 178.507 176.300 -0.108 0.000 1.062 8 M CA 1.249 56.491 55.300 -0.098 0.000 1.105 8 M CB -0.062 32.533 32.600 -0.008 0.000 1.385 8 M HN 0.193 nan 8.290 nan 0.000 0.417 9 A N -0.563 122.108 122.820 -0.249 0.000 1.874 9 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 9 A C 2.081 179.309 177.584 -0.594 0.000 1.189 9 A CA 0.969 52.773 52.037 -0.388 0.000 0.615 9 A CB -0.819 17.684 19.000 -0.827 0.000 0.830 9 A HN 0.266 nan 8.150 nan 0.000 0.443 10 V N 0.359 119.764 119.914 -0.850 0.000 2.453 10 V HA -0.304 3.816 4.120 -0.000 0.000 0.252 10 V C 2.426 178.419 176.094 -0.169 0.000 1.068 10 V CA 2.366 64.287 62.300 -0.631 0.000 1.070 10 V CB -0.775 30.615 31.823 -0.722 0.000 0.664 10 V HN 0.634 nan 8.190 nan 0.000 0.461 11 E N -0.645 119.444 120.200 -0.184 0.000 2.031 11 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 11 E C 2.426 178.982 176.600 -0.074 0.000 0.994 11 E CA 1.309 57.652 56.400 -0.095 0.000 0.800 11 E CB -0.151 29.495 29.700 -0.090 0.000 0.752 11 E HN 0.564 nan 8.360 nan 0.000 0.447 12 Q N -0.278 119.479 119.800 -0.073 0.000 2.152 12 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 12 Q C 2.087 177.966 176.000 -0.203 0.000 0.985 12 Q CA 1.505 57.233 55.803 -0.124 0.000 0.863 12 Q CB -0.187 28.532 28.738 -0.031 0.000 0.904 12 Q HN 0.284 nan 8.270 nan 0.000 0.422 13 F N 1.648 121.445 119.950 -0.255 0.000 2.084 13 F HA -0.181 4.346 4.527 -0.000 0.000 0.296 13 F C 1.819 177.507 175.800 -0.187 0.000 1.111 13 F CA 1.413 59.269 58.000 -0.240 0.000 1.224 13 F CB -0.489 38.500 39.000 -0.018 0.000 0.991 13 F HN 0.044 nan 8.300 nan 0.000 0.471 14 N N 0.885 119.511 118.700 -0.123 0.000 2.184 14 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 14 N C 1.973 177.320 175.510 -0.272 0.000 1.011 14 N CA 1.473 54.386 53.050 -0.229 0.000 0.867 14 N CB -0.554 37.913 38.487 -0.034 0.000 0.993 14 N HN 0.442 nan 8.380 nan 0.000 0.433 15 R N 0.602 120.967 120.500 -0.225 0.000 2.070 15 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 15 R C 2.020 178.187 176.300 -0.221 0.000 1.138 15 R CA 1.711 57.701 56.100 -0.184 0.000 0.936 15 R CB -0.401 29.806 30.300 -0.155 0.000 0.839 15 R HN 0.160 nan 8.270 nan 0.000 0.429 16 A N 0.539 123.189 122.820 -0.284 0.000 1.972 16 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 16 A C 2.333 179.712 177.584 -0.342 0.000 1.169 16 A CA 1.523 53.393 52.037 -0.279 0.000 0.635 16 A CB -0.767 18.084 19.000 -0.248 0.000 0.810 16 A HN 0.588 nan 8.150 nan 0.000 0.446 17 A N -0.615 121.896 122.820 -0.515 0.000 2.024 17 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 17 A C 2.369 179.799 177.584 -0.257 0.000 1.164 17 A CA 2.075 53.802 52.037 -0.516 0.000 0.643 17 A CB -0.544 17.977 19.000 -0.798 0.000 0.806 17 A HN 0.453 nan 8.150 nan 0.000 0.451 18 S N -0.404 115.177 115.700 -0.198 0.000 2.387 18 S HA 0.065 4.535 4.470 -0.000 0.000 0.221 18 S C 1.703 176.272 174.600 -0.050 0.000 1.041 18 S CA 0.534 58.672 58.200 -0.103 0.000 0.959 18 S CB -0.243 62.905 63.200 -0.087 0.000 0.843 18 S HN 0.422 nan 8.310 nan 0.000 0.488 19 L N 1.919 123.110 121.223 -0.053 0.000 2.197 19 L HA -0.049 4.291 4.340 -0.000 0.000 0.215 19 L C 1.124 178.085 176.870 0.152 0.000 1.095 19 L CA 1.399 56.262 54.840 0.038 0.000 0.764 19 L CB -1.135 40.918 42.059 -0.011 0.000 0.897 19 L HN 0.525 nan 8.230 nan 0.000 0.436 20 M N -2.061 117.573 119.600 0.058 0.000 2.436 20 M HA 0.339 4.819 4.480 -0.000 0.000 0.331 20 M C -0.648 175.682 176.300 0.050 0.000 1.135 20 M CA -0.590 54.790 55.300 0.134 0.000 0.987 20 M CB 1.967 34.587 32.600 0.035 0.000 1.687 20 M HN -0.235 nan 8.290 nan 0.000 0.445 21 D N 3.808 124.248 120.400 0.067 0.000 2.455 21 D HA 0.294 4.934 4.640 -0.000 0.000 0.234 21 D C -1.279 175.038 176.300 0.028 0.000 1.224 21 D CA 0.246 54.266 54.000 0.033 0.000 0.999 21 D CB 0.230 41.049 40.800 0.033 0.000 1.072 21 D HN 0.511 nan 8.370 nan 0.000 0.514 22 L N 3.152 124.379 121.223 0.006 0.000 2.280 22 L HA 0.216 4.556 4.340 -0.000 0.000 0.287 22 L C -0.100 176.784 176.870 0.023 0.000 1.023 22 L CA -0.641 54.207 54.840 0.013 0.000 0.819 22 L CB 1.134 43.182 42.059 -0.019 0.000 1.212 22 L HN 0.058 nan 8.230 nan 0.000 0.420 23 E N 2.305 122.527 120.200 0.036 0.000 2.900 23 E HA -0.137 4.213 4.350 -0.000 0.000 0.259 23 E C 1.257 177.884 176.600 0.045 0.000 0.918 23 E CA 0.977 57.399 56.400 0.037 0.000 0.960 23 E CB 0.529 30.253 29.700 0.039 0.000 0.908 23 E HN 0.672 nan 8.360 nan 0.000 0.511 24 S N 3.524 119.246 115.700 0.037 0.000 2.359 24 S HA -0.259 4.211 4.470 -0.000 0.000 0.222 24 S C 1.419 176.055 174.600 0.061 0.000 1.038 24 S CA 1.979 60.205 58.200 0.043 0.000 1.051 24 S CB -0.214 63.005 63.200 0.032 0.000 0.944 24 S HN 0.686 nan 8.310 nan 0.000 0.433 25 D N 1.280 121.712 120.400 0.052 0.000 2.178 25 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 25 D C 1.948 178.291 176.300 0.071 0.000 0.974 25 D CA 0.838 54.871 54.000 0.056 0.000 0.841 25 D CB -0.916 39.908 40.800 0.040 0.000 0.953 25 D HN 0.484 nan 8.370 nan 0.000 0.478 26 L N 0.722 121.990 121.223 0.074 0.000 2.093 26 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 26 L C 2.280 179.236 176.870 0.142 0.000 1.085 26 L CA 1.735 56.629 54.840 0.089 0.000 0.755 26 L CB -0.882 41.225 42.059 0.080 0.000 0.904 26 L HN 0.078 nan 8.230 nan 0.000 0.435 27 A N -0.859 122.060 122.820 0.165 0.000 1.933 27 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 27 A C 2.225 179.976 177.584 0.278 0.000 1.175 27 A CA 1.614 53.820 52.037 0.282 0.000 0.628 27 A CB -0.640 18.495 19.000 0.226 0.000 0.814 27 A HN 0.521 nan 8.150 nan 0.000 0.444 28 E N 0.082 120.387 120.200 0.175 0.000 2.077 28 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 28 E C 2.023 178.697 176.600 0.123 0.000 0.989 28 E CA 1.727 58.211 56.400 0.139 0.000 0.800 28 E CB -0.478 29.279 29.700 0.094 0.000 0.746 28 E HN 0.558 nan 8.360 nan 0.000 0.452 29 V N -0.818 119.158 119.914 0.104 0.000 2.515 29 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 29 V C 2.110 178.247 176.094 0.071 0.000 1.058 29 V CA 1.468 63.809 62.300 0.068 0.000 1.064 29 V CB -0.526 31.322 31.823 0.041 0.000 0.675 29 V HN 0.255 nan 8.190 nan 0.000 0.461 30 L N -0.627 120.678 121.223 0.137 0.000 2.275 30 L HA -0.029 4.311 4.340 -0.000 0.000 0.215 30 L C 2.937 179.903 176.870 0.161 0.000 1.119 30 L CA 1.576 56.520 54.840 0.173 0.000 0.790 30 L CB -0.581 41.704 42.059 0.377 0.000 0.919 30 L HN 0.349 nan 8.230 nan 0.000 0.443 31 R N 0.036 120.618 120.500 0.137 0.000 2.052 31 R HA -0.004 4.336 4.340 -0.000 0.000 0.226 31 R C 0.703 177.229 176.300 0.377 0.000 1.145 31 R CA 0.474 56.671 56.100 0.161 0.000 0.952 31 R CB 0.142 30.503 30.300 0.102 0.000 0.847 31 R HN 0.168 nan 8.270 nan 0.000 0.431 32 R N 1.435 122.087 120.500 0.253 0.000 2.594 32 R HA 0.123 4.462 4.340 -0.000 0.000 0.272 32 R C -2.297 174.136 176.300 0.222 0.000 1.074 32 R CA -1.312 54.931 56.100 0.238 0.000 1.105 32 R CB 0.182 30.556 30.300 0.124 0.000 1.008 32 R HN 0.151 nan 8.270 nan 0.000 0.472 33 P HA 0.069 nan 4.420 nan 0.000 0.288 33 P C -0.507 176.790 177.300 -0.004 0.000 1.267 33 P CA -0.483 62.727 63.100 0.183 0.000 0.815 33 P CB 1.519 33.325 31.700 0.177 0.000 0.989 34 K N 3.330 123.678 120.400 -0.087 0.000 2.009 34 K HA -0.087 4.233 4.320 -0.000 0.000 0.210 34 K C 0.351 176.923 176.600 -0.047 0.000 1.049 34 K CA 1.203 57.444 56.287 -0.076 0.000 0.929 34 K CB 0.187 32.623 32.500 -0.107 0.000 0.714 34 K HN 0.463 nan 8.250 nan 0.000 0.440 35 R N 0.046 120.518 120.500 -0.045 0.000 2.686 35 R HA 0.420 4.760 4.340 -0.000 0.000 0.283 35 R C -1.517 174.767 176.300 -0.028 0.000 0.978 35 R CA -0.701 55.378 56.100 -0.035 0.000 0.897 35 R CB 2.584 32.859 30.300 -0.041 0.000 1.192 35 R HN -0.092 nan 8.270 nan 0.000 0.457 36 V N 4.036 123.940 119.914 -0.017 0.000 2.524 36 V HA 0.338 4.458 4.120 -0.000 0.000 0.297 36 V C -1.154 174.958 176.094 0.030 0.000 1.035 36 V CA -0.744 61.555 62.300 -0.002 0.000 0.867 36 V CB 2.036 33.844 31.823 -0.024 0.000 1.004 36 V HN 0.522 nan 8.190 nan 0.000 0.426 37 L N 7.377 128.635 121.223 0.057 0.000 2.333 37 L HA 0.743 5.083 4.340 -0.000 0.000 0.280 37 L C -0.862 176.103 176.870 0.159 0.000 1.004 37 L CA 0.133 55.016 54.840 0.071 0.000 0.820 37 L CB 1.445 43.514 42.059 0.017 0.000 1.247 37 L HN 0.572 nan 8.230 nan 0.000 0.416 38 I N 6.036 126.705 120.570 0.164 0.000 2.436 38 I HA 0.583 4.753 4.170 -0.000 0.000 0.289 38 I C -0.701 175.497 176.117 0.136 0.000 1.010 38 I CA -0.927 60.500 61.300 0.213 0.000 1.098 38 I CB 1.932 40.090 38.000 0.264 0.000 1.266 38 I HN 0.411 nan 8.210 nan 0.000 0.434 39 V N 1.885 121.886 119.914 0.145 0.000 2.735 39 V HA 0.636 4.756 4.120 -0.000 0.000 0.310 39 V C -0.688 175.544 176.094 0.230 0.000 1.061 39 V CA -0.607 61.816 62.300 0.205 0.000 0.913 39 V CB 2.183 34.172 31.823 0.277 0.000 1.005 39 V HN 0.617 nan 8.190 nan 0.000 0.428 40 E N 4.131 124.447 120.200 0.192 0.000 2.207 40 E HA 0.470 4.820 4.350 -0.000 0.000 0.250 40 E C -1.324 175.374 176.600 0.164 0.000 0.890 40 E CA 0.014 56.455 56.400 0.070 0.000 0.749 40 E CB 1.913 31.621 29.700 0.014 0.000 1.193 40 E HN 0.783 nan 8.360 nan 0.000 0.423 41 F N 1.186 121.193 119.950 0.096 0.000 2.532 41 F HA 0.721 5.248 4.527 -0.000 0.000 0.321 41 F C -2.631 173.244 175.800 0.125 0.000 1.089 41 F CA -2.980 55.079 58.000 0.098 0.000 0.926 41 F CB 1.383 40.449 39.000 0.110 0.000 1.168 41 F HN 0.012 nan 8.300 nan 0.000 0.459 42 P HA 0.415 nan 4.420 nan 0.000 0.276 42 P C -1.164 176.251 177.300 0.192 0.000 1.252 42 P CA -0.454 62.725 63.100 0.132 0.000 0.802 42 P CB 2.347 34.098 31.700 0.086 0.000 1.035 43 V N 1.082 121.070 119.914 0.122 0.000 2.752 43 V HA 0.292 4.412 4.120 -0.000 0.000 0.302 43 V C 0.157 176.248 176.094 -0.005 0.000 1.133 43 V CA -0.717 61.622 62.300 0.066 0.000 0.919 43 V CB 1.984 33.804 31.823 -0.006 0.000 1.026 43 V HN 0.498 nan 8.190 nan 0.000 0.429 44 R N 4.654 125.138 120.500 -0.025 0.000 2.296 44 R HA 0.410 4.750 4.340 -0.000 0.000 0.323 44 R C -0.083 176.174 176.300 -0.072 0.000 1.067 44 R CA -0.464 55.604 56.100 -0.054 0.000 0.946 44 R CB 0.432 30.715 30.300 -0.029 0.000 0.991 44 R HN 0.559 nan 8.270 nan 0.000 0.448 45 M N 2.765 122.291 119.600 -0.124 0.000 2.241 45 M HA 0.009 4.489 4.480 -0.000 0.000 0.335 45 M C 1.092 177.391 176.300 -0.002 0.000 1.122 45 M CA 0.040 55.294 55.300 -0.076 0.000 1.164 45 M CB 0.696 33.210 32.600 -0.143 0.000 1.459 45 M HN 0.573 nan 8.290 nan 0.000 0.461 46 D N 1.756 122.164 120.400 0.013 0.000 2.154 46 D HA -0.240 4.400 4.640 -0.000 0.000 0.190 46 D C 1.137 177.463 176.300 0.043 0.000 1.003 46 D CA 2.203 56.214 54.000 0.018 0.000 0.849 46 D CB -0.275 40.534 40.800 0.015 0.000 0.942 46 D HN 0.782 nan 8.370 nan 0.000 0.446 47 D N -1.369 119.083 120.400 0.087 0.000 2.384 47 D HA 0.025 4.665 4.640 -0.000 0.000 0.222 47 D C 1.451 177.813 176.300 0.102 0.000 0.976 47 D CA 1.400 55.456 54.000 0.092 0.000 0.915 47 D CB -0.130 40.730 40.800 0.100 0.000 0.896 47 D HN 0.318 nan 8.370 nan 0.000 0.523 48 G N -0.258 108.604 108.800 0.103 0.000 2.213 48 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.226 48 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.226 48 G C 0.252 175.217 174.900 0.108 0.000 0.992 48 G CA 0.132 45.279 45.100 0.078 0.000 0.632 48 G HN 0.818 nan 8.290 nan 0.000 0.511 49 H N 0.616 119.690 119.070 0.007 0.000 2.481 49 H HA 0.691 5.247 4.556 -0.000 0.000 0.339 49 H C 0.065 175.405 175.328 0.019 0.000 1.131 49 H CA -0.147 55.905 56.048 0.007 0.000 1.301 49 H CB 1.355 31.117 29.762 -0.001 0.000 1.476 49 H HN 0.311 nan 8.280 nan 0.000 0.529 50 V N 2.213 122.050 119.914 -0.129 0.000 2.546 50 V HA 0.257 4.377 4.120 -0.000 0.000 0.284 50 V C 0.430 176.404 176.094 -0.200 0.000 1.050 50 V CA -0.641 61.564 62.300 -0.158 0.000 0.981 50 V CB 0.839 32.640 31.823 -0.037 0.000 0.990 50 V HN 0.857 nan 8.190 nan 0.000 0.474 51 E N 2.391 122.502 120.200 -0.149 0.000 2.218 51 E HA 0.546 4.896 4.350 -0.000 0.000 0.263 51 E C -1.346 175.230 176.600 -0.041 0.000 0.879 51 E CA -0.566 55.760 56.400 -0.124 0.000 0.762 51 E CB 2.146 31.771 29.700 -0.124 0.000 1.166 51 E HN 0.567 nan 8.360 nan 0.000 0.415 52 V N 5.096 124.896 119.914 -0.189 0.000 2.530 52 V HA 0.305 4.425 4.120 -0.000 0.000 0.282 52 V C -0.373 175.456 176.094 -0.440 0.000 1.048 52 V CA 0.106 62.292 62.300 -0.190 0.000 0.997 52 V CB 0.136 31.863 31.823 -0.160 0.000 0.987 52 V HN 0.538 nan 8.190 nan 0.000 0.477 53 F N 1.323 120.895 119.950 -0.631 0.000 2.598 53 F HA 0.579 5.106 4.527 -0.000 0.000 0.327 53 F C 0.555 175.938 175.800 -0.696 0.000 1.057 53 F CA -0.695 56.879 58.000 -0.710 0.000 0.957 53 F CB 2.070 40.518 39.000 -0.920 0.000 1.278 53 F HN 0.269 nan 8.300 nan 0.000 0.484 54 T N 1.024 115.416 114.554 -0.270 0.000 2.779 54 T HA 0.663 5.013 4.350 -0.000 0.000 0.280 54 T C -0.113 174.411 174.700 -0.294 0.000 0.987 54 T CA -0.700 61.242 62.100 -0.262 0.000 0.966 54 T CB 1.081 69.791 68.868 -0.263 0.000 0.933 54 T HN 0.840 nan 8.240 nan 0.000 0.442 55 G N 2.214 110.914 108.800 -0.166 0.000 2.524 55 G HA2 0.697 4.657 3.960 -0.000 0.000 0.310 55 G HA3 0.697 4.657 3.960 -0.000 0.000 0.310 55 G C -1.909 172.906 174.900 -0.141 0.000 1.279 55 G CA -0.642 44.407 45.100 -0.086 0.000 0.974 55 G HN 0.626 nan 8.290 nan 0.000 0.484 56 Y N 0.077 120.558 120.300 0.301 0.000 2.477 56 Y HA 0.774 5.324 4.550 -0.000 0.000 0.347 56 Y C 0.171 176.213 175.900 0.235 0.000 0.981 56 Y CA -1.233 56.999 58.100 0.221 0.000 1.033 56 Y CB 2.866 41.400 38.460 0.123 0.000 1.245 56 Y HN 0.539 nan 8.280 nan 0.000 0.455 57 R N 1.373 122.043 120.500 0.284 0.000 2.514 57 R HA 0.751 5.090 4.340 -0.000 0.000 0.296 57 R C -2.444 173.895 176.300 0.066 0.000 1.012 57 R CA -0.800 55.380 56.100 0.132 0.000 0.897 57 R CB 1.567 31.864 30.300 -0.005 0.000 1.184 57 R HN 0.564 nan 8.270 nan 0.000 0.440 58 V N 5.080 125.013 119.914 0.031 0.000 2.444 58 V HA 0.437 4.557 4.120 -0.000 0.000 0.294 58 V C -0.587 175.490 176.094 -0.028 0.000 1.022 58 V CA -0.698 61.598 62.300 -0.007 0.000 0.850 58 V CB 1.862 33.668 31.823 -0.028 0.000 0.992 58 V HN 0.689 nan 8.190 nan 0.000 0.426 59 Q N 3.243 123.020 119.800 -0.039 0.000 2.430 59 Q HA 0.327 4.667 4.340 -0.000 0.000 0.245 59 Q C 0.806 176.783 176.000 -0.039 0.000 1.021 59 Q CA -0.252 55.518 55.803 -0.056 0.000 0.867 59 Q CB 0.886 29.579 28.738 -0.075 0.000 1.210 59 Q HN 0.852 nan 8.270 nan 0.000 0.487 60 H N 2.997 121.985 119.070 -0.136 0.000 2.290 60 H HA 0.024 4.580 4.556 -0.000 0.000 0.306 60 H C -0.169 175.060 175.328 -0.164 0.000 1.049 60 H CA 1.187 57.144 56.048 -0.151 0.000 1.288 60 H CB 0.659 30.298 29.762 -0.205 0.000 1.406 60 H HN 0.524 nan 8.280 nan 0.000 0.515 61 N N -0.863 117.529 118.700 -0.513 0.000 2.272 61 N HA 0.233 4.973 4.740 -0.000 0.000 0.305 61 N C -0.552 174.803 175.510 -0.259 0.000 1.103 61 N CA -0.398 52.347 53.050 -0.509 0.000 0.791 61 N CB 2.542 40.629 38.487 -0.667 0.000 1.356 61 N HN 0.096 nan 8.380 nan 0.000 0.486 62 V N 1.890 121.693 119.914 -0.186 0.000 3.392 62 V HA 0.303 4.423 4.120 -0.000 0.000 0.294 62 V C 1.420 177.473 176.094 -0.068 0.000 1.561 62 V CA 0.617 62.853 62.300 -0.107 0.000 1.056 62 V CB -0.060 31.715 31.823 -0.080 0.000 0.882 62 V HN 0.850 nan 8.190 nan 0.000 0.440 63 A N 1.150 123.923 122.820 -0.078 0.000 1.940 63 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 63 A C 2.080 179.660 177.584 -0.008 0.000 1.190 63 A CA 2.234 54.249 52.037 -0.036 0.000 0.647 63 A CB -0.345 18.638 19.000 -0.027 0.000 0.821 63 A HN 0.554 nan 8.150 nan 0.000 0.457 64 R N -1.089 119.404 120.500 -0.012 0.000 2.317 64 R HA 0.327 4.667 4.340 -0.000 0.000 0.208 64 R C 0.782 177.085 176.300 0.004 0.000 0.914 64 R CA 0.529 56.632 56.100 0.005 0.000 1.060 64 R CB 0.120 30.420 30.300 0.001 0.000 1.015 64 R HN 0.600 nan 8.270 nan 0.000 0.498 65 G N 1.160 109.967 108.800 0.012 0.000 2.343 65 G HA2 0.029 3.989 3.960 -0.000 0.000 0.289 65 G HA3 0.029 3.989 3.960 -0.000 0.000 0.289 65 G C -3.167 171.767 174.900 0.056 0.000 1.295 65 G CA -1.103 44.026 45.100 0.048 0.000 0.869 65 G HN -0.232 nan 8.290 nan 0.000 0.522 66 P HA 0.476 nan 4.420 nan 0.000 0.275 66 P C 0.229 177.498 177.300 -0.051 0.000 1.228 66 P CA 0.367 63.487 63.100 0.034 0.000 0.786 66 P CB 1.124 32.859 31.700 0.058 0.000 0.927 67 A N 2.925 125.679 122.820 -0.110 0.000 2.540 67 A HA 0.199 4.519 4.320 -0.000 0.000 0.239 67 A C 0.406 177.817 177.584 -0.289 0.000 1.061 67 A CA 0.522 52.460 52.037 -0.166 0.000 0.758 67 A CB -0.587 18.328 19.000 -0.141 0.000 0.991 67 A HN 0.533 nan 8.150 nan 0.000 0.502 68 K N 1.416 121.617 120.400 -0.332 0.000 2.471 68 K HA 0.638 4.958 4.320 -0.000 0.000 0.252 68 K C -0.419 176.006 176.600 -0.292 0.000 0.938 68 K CA 0.405 56.400 56.287 -0.487 0.000 0.796 68 K CB 1.763 33.734 32.500 -0.881 0.000 1.161 68 K HN 1.405 nan 8.250 nan 0.000 0.425 69 G N 1.529 110.186 108.800 -0.238 0.000 2.429 69 G HA2 0.426 4.386 3.960 -0.000 0.000 0.300 69 G HA3 0.426 4.386 3.960 -0.000 0.000 0.300 69 G C -0.500 174.349 174.900 -0.086 0.000 1.598 69 G CA -0.443 44.578 45.100 -0.133 0.000 0.863 69 G HN 0.753 nan 8.290 nan 0.000 0.614 70 G N -0.673 108.098 108.800 -0.048 0.000 2.683 70 G HA2 0.518 4.478 3.960 -0.000 0.000 0.260 70 G HA3 0.518 4.478 3.960 -0.000 0.000 0.260 70 G C -0.015 174.902 174.900 0.029 0.000 1.238 70 G CA -0.495 44.596 45.100 -0.015 0.000 0.934 70 G HN 0.723 nan 8.290 nan 0.000 0.534 71 I N -0.136 120.461 120.570 0.045 0.000 2.465 71 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 71 I C 0.051 176.165 176.117 -0.006 0.000 1.014 71 I CA -0.586 60.762 61.300 0.080 0.000 1.093 71 I CB 2.261 40.367 38.000 0.175 0.000 1.267 71 I HN 0.368 nan 8.210 nan 0.000 0.431 72 R N 5.245 125.780 120.500 0.059 0.000 2.393 72 R HA 0.445 4.785 4.340 -0.000 0.000 0.310 72 R C -1.469 174.970 176.300 0.232 0.000 0.968 72 R CA -0.468 55.691 56.100 0.099 0.000 0.867 72 R CB 1.361 31.744 30.300 0.138 0.000 1.124 72 R HN 0.545 nan 8.270 nan 0.000 0.450 73 Y N 4.090 124.466 120.300 0.127 0.000 2.587 73 Y HA 0.277 4.827 4.550 -0.000 0.000 0.328 73 Y C -0.063 175.931 175.900 0.156 0.000 0.980 73 Y CA -0.742 57.420 58.100 0.104 0.000 1.272 73 Y CB 0.854 39.355 38.460 0.069 0.000 1.094 73 Y HN 0.445 nan 8.280 nan 0.000 0.503 74 H N 4.338 123.532 119.070 0.207 0.000 2.996 74 H HA 0.198 4.754 4.556 -0.000 0.000 0.368 74 H C -2.457 172.935 175.328 0.107 0.000 1.185 74 H CA -2.056 54.073 56.048 0.135 0.000 1.160 74 H CB 3.292 33.126 29.762 0.120 0.000 1.820 74 H HN 0.237 nan 8.280 nan 0.000 0.547 75 P HA 0.076 nan 4.420 nan 0.000 0.245 75 P C 0.225 177.617 177.300 0.153 0.000 1.206 75 P CA 0.644 63.773 63.100 0.049 0.000 0.781 75 P CB 0.661 32.334 31.700 -0.046 0.000 0.994 76 D N -1.305 119.301 120.400 0.344 0.000 2.398 76 D HA 0.061 4.700 4.640 -0.000 0.000 0.210 76 D C 0.389 176.806 176.300 0.196 0.000 1.094 76 D CA -0.167 53.986 54.000 0.256 0.000 0.839 76 D CB 0.319 41.279 40.800 0.266 0.000 0.963 76 D HN -0.051 nan 8.370 nan 0.000 0.506 77 V N 1.939 121.995 119.914 0.237 0.000 2.694 77 V HA 0.109 4.229 4.120 -0.000 0.000 0.306 77 V C 0.288 176.501 176.094 0.199 0.000 1.054 77 V CA 0.790 63.205 62.300 0.192 0.000 1.161 77 V CB 0.773 32.750 31.823 0.257 0.000 0.916 77 V HN 0.265 nan 8.190 nan 0.000 0.490 78 T N 4.522 119.119 114.554 0.072 0.000 2.906 78 T HA 0.379 4.729 4.350 -0.000 0.000 0.295 78 T C 0.523 175.014 174.700 -0.348 0.000 1.061 78 T CA -0.639 61.426 62.100 -0.059 0.000 1.000 78 T CB 1.526 70.372 68.868 -0.037 0.000 1.103 78 T HN 0.402 nan 8.240 nan 0.000 0.486 79 L N 1.422 122.217 121.223 -0.713 0.000 2.034 79 L HA -0.152 4.188 4.340 -0.000 0.000 0.217 79 L C 1.976 178.619 176.870 -0.378 0.000 1.077 79 L CA 2.400 56.774 54.840 -0.777 0.000 0.769 79 L CB -1.179 40.541 42.059 -0.564 0.000 0.890 79 L HN 0.980 nan 8.230 nan 0.000 0.435 80 D N -0.780 119.475 120.400 -0.242 0.000 2.103 80 D HA -0.289 4.351 4.640 -0.000 0.000 0.190 80 D C 2.170 178.405 176.300 -0.108 0.000 0.997 80 D CA 1.856 55.767 54.000 -0.148 0.000 0.833 80 D CB -0.216 40.544 40.800 -0.067 0.000 0.961 80 D HN 0.586 nan 8.370 nan 0.000 0.447 81 E N -0.594 119.563 120.200 -0.071 0.000 2.070 81 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 81 E C 2.178 178.771 176.600 -0.013 0.000 1.004 81 E CA 1.563 57.954 56.400 -0.015 0.000 0.805 81 E CB -0.002 29.695 29.700 -0.004 0.000 0.744 81 E HN 0.206 nan 8.360 nan 0.000 0.451 82 V N 1.523 121.399 119.914 -0.064 0.000 2.237 82 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 82 V C 2.395 178.448 176.094 -0.070 0.000 1.046 82 V CA 2.108 64.385 62.300 -0.039 0.000 1.007 82 V CB -0.594 31.197 31.823 -0.055 0.000 0.638 82 V HN 0.249 nan 8.190 nan 0.000 0.445 83 K N 0.354 120.650 120.400 -0.172 0.000 2.034 83 K HA -0.275 4.045 4.320 -0.000 0.000 0.214 83 K C 2.333 178.820 176.600 -0.189 0.000 1.051 83 K CA 1.871 57.990 56.287 -0.279 0.000 0.931 83 K CB -0.668 31.494 32.500 -0.564 0.000 0.715 83 K HN 0.495 nan 8.250 nan 0.000 0.446 84 A N 1.683 124.453 122.820 -0.083 0.000 1.865 84 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 84 A C 2.292 179.915 177.584 0.065 0.000 1.191 84 A CA 1.485 53.526 52.037 0.006 0.000 0.623 84 A CB -0.808 18.254 19.000 0.104 0.000 0.826 84 A HN 0.198 nan 8.150 nan 0.000 0.444 85 L N -0.780 120.548 121.223 0.176 0.000 2.042 85 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 85 L C 3.110 180.081 176.870 0.169 0.000 1.076 85 L CA 1.139 56.144 54.840 0.274 0.000 0.749 85 L CB -0.628 41.532 42.059 0.170 0.000 0.893 85 L HN 0.463 nan 8.230 nan 0.000 0.432 86 A N -0.032 122.815 122.820 0.046 0.000 1.858 86 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 86 A C 2.210 179.738 177.584 -0.094 0.000 1.190 86 A CA 1.657 53.685 52.037 -0.015 0.000 0.617 86 A CB -1.000 17.980 19.000 -0.033 0.000 0.827 86 A HN 0.391 nan 8.150 nan 0.000 0.443 87 F N -0.748 118.965 119.950 -0.395 0.000 2.115 87 F HA -0.293 4.234 4.527 -0.000 0.000 0.300 87 F C 2.044 177.538 175.800 -0.510 0.000 1.092 87 F CA 2.183 59.749 58.000 -0.723 0.000 1.245 87 F CB -0.364 38.250 39.000 -0.643 0.000 0.995 87 F HN 0.449 nan 8.300 nan 0.000 0.481 88 W N -0.719 120.684 121.300 0.172 0.000 2.381 88 W HA -0.233 4.427 4.660 -0.000 0.000 0.301 88 W C 2.413 178.911 176.519 -0.035 0.000 1.205 88 W CA 0.349 57.819 57.345 0.208 0.000 1.285 88 W CB -0.467 29.138 29.460 0.242 0.000 1.133 88 W HN -0.048 nan 8.180 nan 0.000 0.521 89 M N 0.215 119.893 119.600 0.130 0.000 2.106 89 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 89 M C 1.919 178.137 176.300 -0.137 0.000 1.068 89 M CA 1.919 57.220 55.300 0.001 0.000 1.100 89 M CB -1.886 30.689 32.600 -0.043 0.000 1.351 89 M HN -0.062 nan 8.290 nan 0.000 0.404 90 T N -0.384 113.948 114.554 -0.370 0.000 2.653 90 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 90 T C 1.499 175.900 174.700 -0.498 0.000 1.035 90 T CA 2.094 63.840 62.100 -0.590 0.000 1.154 90 T CB -0.443 67.802 68.868 -1.040 0.000 0.862 90 T HN 0.576 nan 8.240 nan 0.000 0.441 91 W N 1.144 122.447 121.300 0.005 0.000 2.453 91 W HA 0.182 4.842 4.660 -0.000 0.000 0.289 91 W C 2.521 179.049 176.519 0.016 0.000 1.215 91 W CA 0.084 57.447 57.345 0.031 0.000 1.297 91 W CB -0.198 29.332 29.460 0.117 0.000 1.113 91 W HN 0.137 nan 8.180 nan 0.000 0.551 92 K N 1.060 121.580 120.400 0.198 0.000 2.044 92 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 92 K C 2.116 178.746 176.600 0.049 0.000 1.049 92 K CA 2.644 58.994 56.287 0.105 0.000 0.927 92 K CB -0.518 32.039 32.500 0.096 0.000 0.713 92 K HN 0.173 nan 8.250 nan 0.000 0.443 93 T N -1.600 112.970 114.554 0.025 0.000 2.777 93 T HA 0.005 4.355 4.350 -0.000 0.000 0.266 93 T C 2.050 176.755 174.700 0.007 0.000 1.040 93 T CA 0.926 63.035 62.100 0.014 0.000 1.141 93 T CB -0.510 68.374 68.868 0.027 0.000 0.868 93 T HN 0.274 nan 8.240 nan 0.000 0.444 94 A N 1.504 124.344 122.820 0.033 0.000 1.883 94 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 94 A C 2.679 180.293 177.584 0.050 0.000 1.186 94 A CA 1.916 53.988 52.037 0.058 0.000 0.624 94 A CB -1.315 17.774 19.000 0.149 0.000 0.822 94 A HN 0.611 nan 8.150 nan 0.000 0.444 95 V N -0.953 118.994 119.914 0.055 0.000 2.515 95 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 95 V C 2.075 178.175 176.094 0.009 0.000 1.058 95 V CA 2.304 64.615 62.300 0.018 0.000 1.064 95 V CB -0.497 31.316 31.823 -0.016 0.000 0.675 95 V HN 0.479 nan 8.190 nan 0.000 0.461 96 M N 0.155 119.759 119.600 0.006 0.000 2.492 96 M HA 0.106 4.586 4.480 -0.000 0.000 0.262 96 M C 1.220 177.509 176.300 -0.018 0.000 1.090 96 M CA 0.928 56.228 55.300 0.001 0.000 1.110 96 M CB -1.918 30.677 32.600 -0.009 0.000 1.407 96 M HN 0.773 nan 8.290 nan 0.000 0.470 97 N N 1.249 119.929 118.700 -0.033 0.000 2.771 97 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 97 N C -1.365 174.054 175.510 -0.152 0.000 1.069 97 N CA -0.191 52.825 53.050 -0.057 0.000 0.688 97 N CB -0.780 37.694 38.487 -0.022 0.000 0.928 97 N HN 0.253 nan 8.380 nan 0.000 0.551 98 L N 0.823 121.913 121.223 -0.220 0.000 2.317 98 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 98 L C -1.430 175.165 176.870 -0.458 0.000 1.024 98 L CA -1.860 52.681 54.840 -0.500 0.000 0.810 98 L CB 1.196 42.990 42.059 -0.442 0.000 1.240 98 L HN -0.007 nan 8.230 nan 0.000 0.427 99 P HA -0.008 nan 4.420 nan 0.000 0.301 99 P C -0.604 176.457 177.300 -0.400 0.000 1.560 99 P CA 0.810 63.680 63.100 -0.382 0.000 0.784 99 P CB -0.526 31.031 31.700 -0.239 0.000 1.715 100 F N -0.886 118.954 119.950 -0.183 0.000 2.556 100 F HA 0.600 5.127 4.527 0.000 0.000 0.327 100 F C 1.557 177.255 175.800 -0.170 0.000 1.059 100 F CA -1.157 56.718 58.000 -0.208 0.000 0.953 100 F CB 1.845 40.695 39.000 -0.250 0.000 1.227 100 F HN -0.106 nan 8.300 nan 0.000 0.478 101 G N -0.018 108.815 108.800 0.054 0.000 2.773 101 G HA2 0.563 4.523 3.960 -0.000 0.000 0.186 101 G HA3 0.563 4.523 3.960 -0.000 0.000 0.186 101 G C -0.831 173.996 174.900 -0.121 0.000 1.411 101 G CA -0.625 44.434 45.100 -0.068 0.000 1.054 101 G HN 0.871 nan 8.290 nan 0.000 0.579 102 G N -1.509 107.198 108.800 -0.155 0.000 2.707 102 G HA2 0.665 4.625 3.960 -0.000 0.000 0.299 102 G HA3 0.665 4.625 3.960 -0.000 0.000 0.299 102 G C -0.541 174.296 174.900 -0.105 0.000 1.442 102 G CA 0.332 45.342 45.100 -0.150 0.000 1.009 102 G HN 1.126 nan 8.290 nan 0.000 0.515 103 G N 0.469 109.207 108.800 -0.103 0.000 2.682 103 G HA2 0.778 4.738 3.960 -0.000 0.000 0.290 103 G HA3 0.778 4.738 3.960 -0.000 0.000 0.290 103 G C -1.570 173.299 174.900 -0.053 0.000 1.425 103 G CA -0.641 44.413 45.100 -0.077 0.000 0.807 103 G HN 0.580 nan 8.290 nan 0.000 0.482 104 K N -1.403 118.983 120.400 -0.023 0.000 2.642 104 K HA 0.662 4.982 4.320 -0.000 0.000 0.290 104 K C -0.788 175.850 176.600 0.063 0.000 1.006 104 K CA -0.256 56.040 56.287 0.016 0.000 0.869 104 K CB 2.172 34.691 32.500 0.031 0.000 1.499 104 K HN 1.315 nan 8.250 nan 0.000 0.403 105 G N -0.797 108.073 108.800 0.117 0.000 2.600 105 G HA2 0.745 4.705 3.960 -0.000 0.000 0.293 105 G HA3 0.745 4.705 3.960 -0.000 0.000 0.293 105 G C -1.166 173.880 174.900 0.242 0.000 1.408 105 G CA -0.055 45.177 45.100 0.221 0.000 0.782 105 G HN 0.763 nan 8.290 nan 0.000 0.482 106 G N -2.100 106.882 108.800 0.302 0.000 2.387 106 G HA2 0.619 4.579 3.960 -0.000 0.000 0.294 106 G HA3 0.619 4.579 3.960 -0.000 0.000 0.294 106 G C -1.932 173.029 174.900 0.100 0.000 1.509 106 G CA 0.003 45.236 45.100 0.222 0.000 0.806 106 G HN 1.372 nan 8.290 nan 0.000 0.546 107 V N 0.636 120.612 119.914 0.103 0.000 2.656 107 V HA 0.564 4.684 4.120 -0.000 0.000 0.307 107 V C 0.249 176.397 176.094 0.090 0.000 1.051 107 V CA -1.022 61.262 62.300 -0.028 0.000 0.893 107 V CB 1.943 33.681 31.823 -0.142 0.000 0.999 107 V HN 0.702 nan 8.190 nan 0.000 0.426 108 R N 2.457 122.987 120.500 0.051 0.000 2.429 108 R HA 0.542 4.882 4.340 -0.000 0.000 0.302 108 R C -0.971 175.385 176.300 0.093 0.000 1.268 108 R CA 0.152 56.305 56.100 0.088 0.000 1.090 108 R CB 0.784 31.115 30.300 0.052 0.000 1.102 108 R HN 0.525 nan 8.270 nan 0.000 0.522 109 V N 2.267 122.232 119.914 0.086 0.000 3.077 109 V HA 0.162 4.282 4.120 -0.000 0.000 0.299 109 V C -1.720 174.375 176.094 0.002 0.000 1.276 109 V CA -0.934 61.419 62.300 0.089 0.000 0.993 109 V CB 2.682 34.536 31.823 0.052 0.000 1.076 109 V HN 0.524 nan 8.190 nan 0.000 0.434 110 D N 6.522 126.920 120.400 -0.003 0.000 2.454 110 D HA 0.499 5.139 4.640 -0.000 0.000 0.225 110 D C -1.451 174.833 176.300 -0.026 0.000 1.081 110 D CA -2.106 51.867 54.000 -0.045 0.000 0.864 110 D CB 2.185 42.955 40.800 -0.050 0.000 1.040 110 D HN 0.347 nan 8.370 nan 0.000 0.517 111 P HA -0.219 nan 4.420 nan 0.000 0.216 111 P C 1.009 178.314 177.300 0.008 0.000 1.150 111 P CA 1.136 64.231 63.100 -0.010 0.000 0.843 111 P CB 0.321 32.058 31.700 0.060 0.000 0.787 112 K N 0.444 120.848 120.400 0.006 0.000 2.160 112 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 112 K C 1.546 178.153 176.600 0.010 0.000 1.047 112 K CA 1.187 57.480 56.287 0.009 0.000 0.930 112 K CB -0.350 32.150 32.500 0.001 0.000 0.720 112 K HN 0.389 nan 8.250 nan 0.000 0.450 113 K N 0.716 121.121 120.400 0.009 0.000 2.437 113 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 113 K C 0.394 177.009 176.600 0.026 0.000 1.024 113 K CA 0.166 56.463 56.287 0.017 0.000 1.148 113 K CB 0.231 32.742 32.500 0.019 0.000 0.860 113 K HN 0.098 nan 8.250 nan 0.000 0.515 114 L N 1.494 122.727 121.223 0.016 0.000 2.362 114 L HA 0.221 4.561 4.340 -0.000 0.000 0.271 114 L C 0.290 177.164 176.870 0.006 0.000 1.002 114 L CA -0.889 53.955 54.840 0.006 0.000 0.818 114 L CB 2.099 44.142 42.059 -0.028 0.000 1.298 114 L HN 0.056 nan 8.230 nan 0.000 0.420 115 S N 1.240 116.939 115.700 -0.001 0.000 2.601 115 S HA 0.240 4.710 4.470 -0.000 0.000 0.271 115 S C 0.908 175.506 174.600 -0.004 0.000 1.305 115 S CA -0.553 57.648 58.200 0.001 0.000 1.022 115 S CB 1.679 64.875 63.200 -0.006 0.000 0.940 115 S HN 0.703 nan 8.310 nan 0.000 0.525 116 R N 0.978 121.491 120.500 0.023 0.000 2.119 116 R HA -0.133 4.206 4.340 -0.000 0.000 0.246 116 R C 2.282 178.536 176.300 -0.077 0.000 1.146 116 R CA 1.748 57.879 56.100 0.053 0.000 0.962 116 R CB -0.281 30.071 30.300 0.087 0.000 0.863 116 R HN 0.613 nan 8.270 nan 0.000 0.442 117 R N 0.593 121.037 120.500 -0.094 0.000 2.073 117 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 117 R C 2.155 178.336 176.300 -0.198 0.000 1.134 117 R CA 1.956 57.959 56.100 -0.161 0.000 0.952 117 R CB -0.588 29.653 30.300 -0.099 0.000 0.850 117 R HN 0.511 nan 8.270 nan 0.000 0.433 118 E N 0.390 120.511 120.200 -0.133 0.000 2.077 118 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 118 E C 2.010 178.499 176.600 -0.185 0.000 0.989 118 E CA 0.816 57.134 56.400 -0.137 0.000 0.800 118 E CB -0.199 29.451 29.700 -0.084 0.000 0.746 118 E HN 0.015 nan 8.360 nan 0.000 0.452 119 L N 1.652 122.783 121.223 -0.152 0.000 1.970 119 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 119 L C 2.389 179.117 176.870 -0.237 0.000 1.071 119 L CA 1.863 56.640 54.840 -0.105 0.000 0.751 119 L CB -0.382 41.741 42.059 0.106 0.000 0.889 119 L HN 0.101 nan 8.230 nan 0.000 0.432 120 E N -0.666 119.097 120.200 -0.729 0.000 2.086 120 E HA -0.338 4.012 4.350 -0.000 0.000 0.200 120 E C 2.387 178.637 176.600 -0.583 0.000 1.012 120 E CA 1.767 57.325 56.400 -1.404 0.000 0.812 120 E CB -0.019 28.649 29.700 -1.720 0.000 0.743 120 E HN 0.341 nan 8.360 nan 0.000 0.453 121 R N 0.430 120.703 120.500 -0.379 0.000 2.088 121 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 121 R C 2.719 178.957 176.300 -0.103 0.000 1.136 121 R CA 1.683 57.662 56.100 -0.202 0.000 0.926 121 R CB -0.694 29.510 30.300 -0.160 0.000 0.837 121 R HN 0.282 nan 8.270 nan 0.000 0.429 122 L N 0.140 121.290 121.223 -0.121 0.000 2.021 122 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 122 L C 2.021 178.959 176.870 0.113 0.000 1.074 122 L CA 2.182 56.987 54.840 -0.058 0.000 0.760 122 L CB -0.430 41.442 42.059 -0.312 0.000 0.889 122 L HN 0.222 nan 8.230 nan 0.000 0.433 123 S N -0.335 115.466 115.700 0.169 0.000 2.387 123 S HA -0.211 4.259 4.470 -0.000 0.000 0.230 123 S C 1.890 176.794 174.600 0.506 0.000 1.035 123 S CA 1.674 60.155 58.200 0.467 0.000 1.014 123 S CB -0.356 63.096 63.200 0.421 0.000 0.836 123 S HN 0.495 nan 8.310 nan 0.000 0.466 124 R N 0.528 121.167 120.500 0.231 0.000 2.052 124 R HA 0.092 4.432 4.340 -0.000 0.000 0.226 124 R C 2.546 178.930 176.300 0.140 0.000 1.145 124 R CA 0.955 57.176 56.100 0.202 0.000 0.952 124 R CB -0.351 29.985 30.300 0.062 0.000 0.847 124 R HN 0.096 nan 8.270 nan 0.000 0.431 125 R N 1.125 121.650 120.500 0.042 0.000 2.103 125 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 125 R C 1.864 177.988 176.300 -0.293 0.000 1.142 125 R CA 1.536 57.591 56.100 -0.075 0.000 0.960 125 R CB -1.020 29.278 30.300 -0.004 0.000 0.858 125 R HN 0.167 nan 8.270 nan 0.000 0.439 126 F N -0.038 119.588 119.950 -0.539 0.000 2.010 126 F HA -0.182 4.345 4.527 -0.000 0.000 0.296 126 F C 1.956 177.600 175.800 -0.260 0.000 1.146 126 F CA 1.623 59.222 58.000 -0.668 0.000 1.181 126 F CB -1.251 37.630 39.000 -0.200 0.000 0.965 126 F HN 0.061 nan 8.300 nan 0.000 0.480 127 F N 1.162 120.901 119.950 -0.351 0.000 2.184 127 F HA -0.233 4.294 4.527 -0.000 0.000 0.301 127 F C 2.704 178.305 175.800 -0.332 0.000 1.076 127 F CA 1.851 59.555 58.000 -0.492 0.000 1.295 127 F CB -0.506 38.347 39.000 -0.245 0.000 1.026 127 F HN -0.015 nan 8.300 nan 0.000 0.494 128 R N -0.247 120.192 120.500 -0.103 0.000 2.090 128 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 128 R C 2.095 178.277 176.300 -0.196 0.000 1.110 128 R CA 1.077 57.117 56.100 -0.100 0.000 0.973 128 R CB -0.153 30.129 30.300 -0.031 0.000 0.869 128 R HN 0.189 nan 8.270 nan 0.000 0.440 129 E N 0.585 120.620 120.200 -0.275 0.000 2.150 129 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 129 E C 1.707 178.135 176.600 -0.287 0.000 0.985 129 E CA 1.052 57.308 56.400 -0.239 0.000 0.814 129 E CB 0.052 29.609 29.700 -0.238 0.000 0.752 129 E HN 0.517 nan 8.360 nan 0.000 0.466 130 I N -2.229 118.041 120.570 -0.499 0.000 3.941 130 I HA 0.178 4.348 4.170 -0.000 0.000 0.335 130 I C 1.969 177.784 176.117 -0.502 0.000 1.402 130 I CA -0.113 60.886 61.300 -0.503 0.000 1.112 130 I CB 0.233 37.804 38.000 -0.715 0.000 1.043 130 I HN -0.158 nan 8.210 nan 0.000 0.395 131 Q N 1.658 121.201 119.800 -0.429 0.000 2.061 131 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 131 Q C 2.223 178.105 176.000 -0.196 0.000 0.984 131 Q CA 3.115 58.727 55.803 -0.318 0.000 0.846 131 Q CB -0.017 28.648 28.738 -0.122 0.000 0.902 131 Q HN 0.653 nan 8.270 nan 0.000 0.421 132 V N 0.257 120.083 119.914 -0.146 0.000 2.363 132 V HA -0.283 3.837 4.120 -0.000 0.000 0.254 132 V C 1.999 178.034 176.094 -0.098 0.000 1.074 132 V CA 1.548 63.793 62.300 -0.091 0.000 1.069 132 V CB -0.635 31.143 31.823 -0.075 0.000 0.659 132 V HN 0.347 nan 8.190 nan 0.000 0.455 133 I N -0.507 119.974 120.570 -0.150 0.000 3.427 133 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 133 I C 0.870 176.888 176.117 -0.165 0.000 1.249 133 I CA 0.023 61.240 61.300 -0.138 0.000 1.421 133 I CB -0.141 37.775 38.000 -0.140 0.000 1.086 133 I HN 0.442 nan 8.210 nan 0.000 0.448 134 I N -2.125 118.302 120.570 -0.238 0.000 2.982 134 I HA 0.896 5.066 4.170 -0.000 0.000 0.312 134 I C 0.155 176.154 176.117 -0.196 0.000 1.041 134 I CA -0.622 60.515 61.300 -0.272 0.000 1.053 134 I CB 1.835 39.549 38.000 -0.476 0.000 1.248 134 I HN 0.009 nan 8.210 nan 0.000 0.471 135 G N 1.811 110.504 108.800 -0.179 0.000 2.338 135 G HA2 0.352 4.312 3.960 -0.000 0.000 0.295 135 G HA3 0.352 4.312 3.960 -0.000 0.000 0.295 135 G C -2.885 171.996 174.900 -0.032 0.000 1.461 135 G CA -0.517 44.551 45.100 -0.053 0.000 0.817 135 G HN 0.410 nan 8.290 nan 0.000 0.556 136 P HA -0.003 nan 4.420 nan 0.000 0.230 136 P C 0.099 177.348 177.300 -0.085 0.000 1.158 136 P CA 1.131 64.225 63.100 -0.010 0.000 0.769 136 P CB 0.017 31.644 31.700 -0.121 0.000 0.807 137 Y N -1.217 119.244 120.300 0.267 0.000 2.707 137 Y HA 0.305 4.855 4.550 -0.000 0.000 0.249 137 Y C 1.714 177.684 175.900 0.117 0.000 1.166 137 Y CA -0.437 57.815 58.100 0.253 0.000 1.184 137 Y CB 0.333 38.931 38.460 0.231 0.000 1.240 137 Y HN -0.037 nan 8.280 nan 0.000 0.547 138 N N -0.734 118.046 118.700 0.133 0.000 2.802 138 N HA 0.030 4.770 4.740 -0.000 0.000 0.254 138 N C -0.841 174.634 175.510 -0.059 0.000 1.012 138 N CA 0.273 53.346 53.050 0.039 0.000 0.986 138 N CB 1.074 39.570 38.487 0.014 0.000 1.711 138 N HN -0.020 nan 8.380 nan 0.000 0.581 139 D N 0.651 120.979 120.400 -0.120 0.000 2.764 139 D HA 0.386 5.026 4.640 -0.000 0.000 0.227 139 D C -1.594 174.563 176.300 -0.238 0.000 1.347 139 D CA -0.323 53.560 54.000 -0.194 0.000 0.953 139 D CB 1.585 42.269 40.800 -0.194 0.000 1.476 139 D HN 0.028 nan 8.370 nan 0.000 0.585 140 I N 5.106 125.493 120.570 -0.306 0.000 2.412 140 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 140 I C -2.057 173.917 176.117 -0.239 0.000 1.063 140 I CA -1.801 59.326 61.300 -0.287 0.000 1.193 140 I CB 1.316 39.051 38.000 -0.441 0.000 1.370 140 I HN 0.093 nan 8.210 nan 0.000 0.479 141 P HA 0.228 nan 4.420 nan 0.000 0.273 141 P C -0.429 176.838 177.300 -0.056 0.000 1.252 141 P CA -0.139 62.925 63.100 -0.060 0.000 0.809 141 P CB 0.630 32.365 31.700 0.059 0.000 1.017 142 A N -0.913 121.896 122.820 -0.019 0.000 2.566 142 A HA 0.642 4.961 4.320 -0.000 0.000 0.290 142 A C -2.959 174.618 177.584 -0.012 0.000 1.071 142 A CA -1.185 50.833 52.037 -0.031 0.000 0.658 142 A CB 0.662 19.613 19.000 -0.081 0.000 1.285 142 A HN 0.320 nan 8.150 nan 0.000 0.427 143 P HA 0.460 nan 4.420 nan 0.000 0.278 143 P C -0.956 176.315 177.300 -0.048 0.000 1.238 143 P CA 0.531 63.594 63.100 -0.061 0.000 0.794 143 P CB 1.479 33.124 31.700 -0.090 0.000 0.955 144 D N 0.759 121.130 120.400 -0.049 0.000 2.961 144 D HA 0.209 4.849 4.640 -0.000 0.000 0.257 144 D C -0.646 175.648 176.300 -0.011 0.000 1.211 144 D CA -0.677 53.310 54.000 -0.020 0.000 1.066 144 D CB 0.729 41.530 40.800 0.001 0.000 1.291 144 D HN -0.028 nan 8.370 nan 0.000 0.629 145 V N 2.585 122.515 119.914 0.025 0.000 2.539 145 V HA 0.083 4.203 4.120 -0.000 0.000 0.300 145 V C 0.197 176.346 176.094 0.091 0.000 1.019 145 V CA 0.486 62.826 62.300 0.067 0.000 1.160 145 V CB -0.302 31.583 31.823 0.104 0.000 0.901 145 V HN 0.650 nan 8.190 nan 0.000 0.481 146 N N 1.745 120.495 118.700 0.084 0.000 2.829 146 N HA -0.147 4.593 4.740 -0.000 0.000 0.250 146 N C 0.193 175.744 175.510 0.069 0.000 1.090 146 N CA 1.466 54.584 53.050 0.112 0.000 0.781 146 N CB -1.231 37.380 38.487 0.207 0.000 1.124 146 N HN 1.065 nan 8.380 nan 0.000 0.559 147 T N -2.442 112.079 114.554 -0.055 0.000 2.903 147 T HA 0.767 5.117 4.350 -0.000 0.000 0.299 147 T C -0.202 174.410 174.700 -0.147 0.000 1.093 147 T CA -0.801 61.196 62.100 -0.172 0.000 1.002 147 T CB 3.082 71.744 68.868 -0.342 0.000 1.127 147 T HN 0.252 nan 8.240 nan 0.000 0.488 148 N N -0.021 118.555 118.700 -0.207 0.000 3.344 148 N HA 0.535 5.275 4.740 -0.000 0.000 0.296 148 N C 1.205 176.556 175.510 -0.265 0.000 1.571 148 N CA -0.490 52.444 53.050 -0.193 0.000 0.844 148 N CB 0.513 38.903 38.487 -0.161 0.000 1.718 148 N HN 0.773 nan 8.380 nan 0.000 0.589 149 A N -0.341 122.344 122.820 -0.225 0.000 2.042 149 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 149 A C 1.163 178.526 177.584 -0.369 0.000 1.167 149 A CA 2.145 54.035 52.037 -0.244 0.000 0.649 149 A CB -0.910 17.980 19.000 -0.185 0.000 0.809 149 A HN 0.679 nan 8.150 nan 0.000 0.457 150 D N -0.403 119.720 120.400 -0.462 0.000 2.103 150 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 150 D C 2.153 177.692 176.300 -1.268 0.000 0.978 150 D CA 1.516 55.066 54.000 -0.749 0.000 0.829 150 D CB -0.532 39.867 40.800 -0.669 0.000 0.981 150 D HN 0.256 nan 8.370 nan 0.000 0.464 151 V N 1.086 120.376 119.914 -1.039 0.000 2.295 151 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 151 V C 2.472 178.030 176.094 -0.892 0.000 1.049 151 V CA 0.971 62.683 62.300 -0.980 0.000 1.024 151 V CB -0.378 31.103 31.823 -0.569 0.000 0.648 151 V HN 0.076 nan 8.190 nan 0.000 0.447 152 I N 0.771 120.961 120.570 -0.632 0.000 2.335 152 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 152 I C 2.390 178.317 176.117 -0.316 0.000 1.129 152 I CA 1.611 62.677 61.300 -0.390 0.000 1.402 152 I CB -0.610 37.267 38.000 -0.204 0.000 1.069 152 I HN 0.233 nan 8.210 nan 0.000 0.424 153 A N -0.973 121.615 122.820 -0.386 0.000 2.016 153 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 153 A C 1.964 179.489 177.584 -0.098 0.000 1.162 153 A CA 0.801 52.695 52.037 -0.238 0.000 0.662 153 A CB -0.812 18.029 19.000 -0.265 0.000 0.812 153 A HN 0.535 nan 8.150 nan 0.000 0.450 154 W N -0.873 120.305 121.300 -0.204 0.000 2.436 154 W HA -0.040 4.620 4.660 -0.000 0.000 0.284 154 W C 2.005 178.452 176.519 -0.120 0.000 1.225 154 W CA 0.309 57.563 57.345 -0.153 0.000 1.271 154 W CB -1.331 28.020 29.460 -0.181 0.000 1.114 154 W HN 0.550 nan 8.180 nan 0.000 0.559 155 Y N -0.093 120.130 120.300 -0.129 0.000 2.070 155 Y HA -0.349 4.201 4.550 -0.000 0.000 0.279 155 Y C 2.909 178.561 175.900 -0.414 0.000 1.134 155 Y CA 1.217 58.931 58.100 -0.644 0.000 1.113 155 Y CB -0.845 36.891 38.460 -1.206 0.000 0.981 155 Y HN -0.264 nan 8.280 nan 0.000 0.487 156 M N 0.588 120.140 119.600 -0.080 0.000 2.103 156 M HA -0.350 4.130 4.480 -0.000 0.000 0.255 156 M C 1.552 177.928 176.300 0.127 0.000 1.074 156 M CA 2.586 57.914 55.300 0.047 0.000 1.090 156 M CB -0.507 32.110 32.600 0.029 0.000 1.325 156 M HN 0.315 nan 8.290 nan 0.000 0.403 157 D N -0.201 120.260 120.400 0.102 0.000 2.088 157 D HA -0.223 4.417 4.640 -0.000 0.000 0.191 157 D C 1.920 178.294 176.300 0.125 0.000 0.992 157 D CA 1.662 55.726 54.000 0.108 0.000 0.831 157 D CB -0.077 40.792 40.800 0.115 0.000 0.973 157 D HN 0.291 nan 8.370 nan 0.000 0.447 158 E N -0.482 119.810 120.200 0.153 0.000 2.114 158 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 158 E C 2.004 178.731 176.600 0.212 0.000 1.008 158 E CA 0.960 57.461 56.400 0.170 0.000 0.810 158 E CB -0.598 29.235 29.700 0.222 0.000 0.739 158 E HN 0.575 nan 8.360 nan 0.000 0.456 159 Y N 1.231 121.618 120.300 0.145 0.000 2.114 159 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 159 Y C 2.403 178.318 175.900 0.026 0.000 1.143 159 Y CA 1.988 60.169 58.100 0.135 0.000 1.135 159 Y CB 0.063 38.652 38.460 0.215 0.000 0.980 159 Y HN 0.094 nan 8.280 nan 0.000 0.499 160 E N -0.228 119.958 120.200 -0.024 0.000 2.097 160 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 160 E C 2.131 178.646 176.600 -0.142 0.000 1.000 160 E CA 1.641 57.952 56.400 -0.148 0.000 0.804 160 E CB -0.205 29.480 29.700 -0.025 0.000 0.740 160 E HN 0.561 nan 8.360 nan 0.000 0.454 161 M N 0.460 120.027 119.600 -0.054 0.000 2.202 161 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 161 M C 1.442 177.701 176.300 -0.068 0.000 1.063 161 M CA 1.276 56.554 55.300 -0.038 0.000 1.097 161 M CB -0.497 32.104 32.600 0.001 0.000 1.382 161 M HN 0.068 nan 8.290 nan 0.000 0.413 162 N N -0.138 118.498 118.700 -0.107 0.000 2.349 162 N HA -0.022 4.718 4.740 -0.000 0.000 0.180 162 N C 1.667 177.057 175.510 -0.200 0.000 1.024 162 N CA 0.677 53.654 53.050 -0.121 0.000 0.869 162 N CB -0.191 38.243 38.487 -0.088 0.000 1.022 162 N HN -0.019 nan 8.380 nan 0.000 0.433 163 V N -0.274 119.406 119.914 -0.390 0.000 2.407 163 V HA -0.047 4.073 4.120 -0.000 0.000 0.248 163 V C 1.517 177.443 176.094 -0.279 0.000 1.055 163 V CA 1.949 63.972 62.300 -0.461 0.000 1.049 163 V CB -0.772 30.524 31.823 -0.879 0.000 0.662 163 V HN 0.628 nan 8.190 nan 0.000 0.455 164 G N -0.484 108.180 108.800 -0.227 0.000 2.179 164 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 164 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 164 G C 0.235 175.153 174.900 0.031 0.000 0.990 164 G CA 0.157 45.220 45.100 -0.062 0.000 0.646 164 G HN 1.024 nan 8.290 nan 0.000 0.517 165 H N -1.838 117.203 119.070 -0.049 0.000 3.003 165 H HA 0.618 5.174 4.556 -0.000 0.000 0.327 165 H C -0.186 175.142 175.328 -0.001 0.000 1.353 165 H CA -0.044 55.994 56.048 -0.016 0.000 1.142 165 H CB 0.789 30.548 29.762 -0.005 0.000 1.864 165 H HN 0.613 nan 8.280 nan 0.000 0.529 166 T N 0.482 115.145 114.554 0.181 0.000 2.853 166 T HA 0.270 4.620 4.350 -0.000 0.000 0.298 166 T C 0.430 175.248 174.700 0.196 0.000 0.978 166 T CA 0.109 62.288 62.100 0.132 0.000 1.152 166 T CB 0.156 69.097 68.868 0.121 0.000 0.914 166 T HN 0.410 nan 8.240 nan 0.000 0.539 167 V N 4.805 124.798 119.914 0.132 0.000 3.204 167 V HA 0.194 4.314 4.120 -0.000 0.000 0.218 167 V C 1.881 178.069 176.094 0.157 0.000 1.159 167 V CA 0.746 63.154 62.300 0.180 0.000 1.282 167 V CB -0.725 31.249 31.823 0.252 0.000 1.225 167 V HN 1.308 nan 8.190 nan 0.000 0.509 168 L N 0.062 121.382 121.223 0.161 0.000 5.081 168 L HA -0.168 4.172 4.340 -0.000 0.000 0.423 168 L C 0.745 177.692 176.870 0.128 0.000 1.019 168 L CA 1.871 56.788 54.840 0.130 0.000 1.223 168 L CB -2.394 39.739 42.059 0.123 0.000 1.940 168 L HN 0.382 nan 8.230 nan 0.000 0.675 169 G N -0.968 107.912 108.800 0.134 0.000 3.192 169 G HA2 0.287 4.247 3.960 -0.000 0.000 0.239 169 G HA3 0.287 4.247 3.960 -0.000 0.000 0.239 169 G C 0.984 176.028 174.900 0.240 0.000 1.084 169 G CA 0.405 45.611 45.100 0.177 0.000 0.784 169 G HN 0.398 nan 8.290 nan 0.000 0.540 170 I N 1.358 122.011 120.570 0.138 0.000 2.546 170 I HA 0.139 4.309 4.170 -0.000 0.000 0.255 170 I C 0.692 176.820 176.117 0.018 0.000 1.163 170 I CA 0.614 61.926 61.300 0.020 0.000 1.457 170 I CB 0.327 38.278 38.000 -0.082 0.000 1.092 170 I HN 0.038 nan 8.210 nan 0.000 0.434 171 V N -2.844 117.102 119.914 0.053 0.000 3.147 171 V HA 0.734 4.854 4.120 -0.000 0.000 0.306 171 V C -0.289 175.823 176.094 0.030 0.000 1.209 171 V CA -0.102 62.211 62.300 0.022 0.000 1.023 171 V CB 1.054 32.881 31.823 0.008 0.000 1.059 171 V HN 0.195 nan 8.190 nan 0.000 0.435 172 T N -1.502 113.048 114.554 -0.006 0.000 2.919 172 T HA 0.786 5.136 4.350 -0.000 0.000 0.282 172 T C 0.981 175.662 174.700 -0.032 0.000 1.020 172 T CA -0.206 61.894 62.100 -0.000 0.000 0.994 172 T CB 1.078 69.938 68.868 -0.014 0.000 1.180 172 T HN 2.685 nan 8.240 nan 0.000 0.566 173 G N 0.755 109.533 108.800 -0.037 0.000 2.176 173 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.252 173 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.252 173 G C -0.128 174.720 174.900 -0.086 0.000 1.024 173 G CA 0.268 45.330 45.100 -0.063 0.000 0.755 173 G HN 0.839 nan 8.290 nan 0.000 0.507 174 K N 0.238 120.592 120.400 -0.076 0.000 2.090 174 K HA 0.487 4.807 4.320 -0.000 0.000 0.250 174 K C -2.379 174.153 176.600 -0.114 0.000 1.004 174 K CA -1.927 54.298 56.287 -0.102 0.000 0.919 174 K CB 0.709 33.164 32.500 -0.075 0.000 1.045 174 K HN 0.014 nan 8.250 nan 0.000 0.471 175 P HA -0.050 nan 4.420 nan 0.000 0.271 175 P C 0.766 177.980 177.300 -0.143 0.000 1.216 175 P CA -0.154 62.868 63.100 -0.130 0.000 0.776 175 P CB 0.537 32.158 31.700 -0.131 0.000 0.881 176 V N 2.813 122.640 119.914 -0.146 0.000 2.278 176 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 176 V C 1.622 177.566 176.094 -0.250 0.000 1.062 176 V CA 2.091 64.275 62.300 -0.195 0.000 1.038 176 V CB -1.417 30.311 31.823 -0.159 0.000 0.646 176 V HN 0.571 nan 8.190 nan 0.000 0.447 177 E N -0.227 119.862 120.200 -0.185 0.000 2.515 177 E HA -0.037 4.313 4.350 -0.000 0.000 0.201 177 E C 0.958 177.457 176.600 -0.168 0.000 1.071 177 E CA 0.391 56.686 56.400 -0.174 0.000 0.880 177 E CB -0.077 29.553 29.700 -0.116 0.000 0.828 177 E HN 0.379 nan 8.360 nan 0.000 0.540 178 L N -0.798 120.322 121.223 -0.172 0.000 3.288 178 L HA 0.412 4.752 4.340 -0.000 0.000 0.293 178 L C 0.868 177.668 176.870 -0.117 0.000 1.294 178 L CA 0.433 55.200 54.840 -0.122 0.000 1.006 178 L CB 0.494 42.501 42.059 -0.088 0.000 1.407 178 L HN 0.163 nan 8.230 nan 0.000 0.592 179 G N -1.476 107.186 108.800 -0.230 0.000 2.179 179 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 179 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 179 G C 0.686 175.542 174.900 -0.074 0.000 0.990 179 G CA -0.077 44.949 45.100 -0.125 0.000 0.646 179 G HN 0.731 nan 8.290 nan 0.000 0.517 180 G N -0.331 108.365 108.800 -0.173 0.000 2.588 180 G HA2 0.623 4.582 3.960 -0.000 0.000 0.278 180 G HA3 0.623 4.582 3.960 -0.000 0.000 0.278 180 G C 0.251 175.091 174.900 -0.099 0.000 1.307 180 G CA 0.849 45.888 45.100 -0.101 0.000 1.016 180 G HN 1.375 nan 8.290 nan 0.000 0.503 181 S N -1.622 114.046 115.700 -0.054 0.000 2.600 181 S HA 0.541 5.011 4.470 -0.000 0.000 0.300 181 S C -0.257 174.317 174.600 -0.042 0.000 1.087 181 S CA -0.840 57.341 58.200 -0.033 0.000 0.965 181 S CB 1.268 64.457 63.200 -0.020 0.000 1.089 181 S HN 0.494 nan 8.310 nan 0.000 0.496 182 K N 0.945 121.332 120.400 -0.022 0.000 2.126 182 K HA 0.493 4.813 4.320 -0.000 0.000 0.257 182 K C 0.970 177.573 176.600 0.004 0.000 1.007 182 K CA 0.171 56.449 56.287 -0.016 0.000 0.928 182 K CB 0.608 33.110 32.500 0.003 0.000 1.013 182 K HN 1.114 nan 8.250 nan 0.000 0.473 183 G N 1.249 110.036 108.800 -0.021 0.000 2.143 183 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.249 183 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.249 183 G C 0.884 175.740 174.900 -0.072 0.000 0.981 183 G CA 0.644 45.724 45.100 -0.035 0.000 0.665 183 G HN 0.720 nan 8.290 nan 0.000 0.528 184 R N 0.217 120.672 120.500 -0.076 0.000 2.073 184 R HA -0.012 4.328 4.340 -0.000 0.000 0.234 184 R C 2.336 178.545 176.300 -0.152 0.000 1.134 184 R CA 1.910 57.956 56.100 -0.089 0.000 0.952 184 R CB -0.271 29.985 30.300 -0.074 0.000 0.850 184 R HN 0.638 nan 8.270 nan 0.000 0.433 185 E N 0.162 120.246 120.200 -0.195 0.000 2.017 185 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 185 E C 1.774 177.966 176.600 -0.679 0.000 0.997 185 E CA 1.809 58.030 56.400 -0.298 0.000 0.804 185 E CB -0.050 29.527 29.700 -0.206 0.000 0.757 185 E HN 0.557 nan 8.360 nan 0.000 0.448 186 E N 0.859 120.535 120.200 -0.874 0.000 2.478 186 E HA -0.041 4.309 4.350 -0.000 0.000 0.198 186 E C 1.743 178.067 176.600 -0.459 0.000 1.046 186 E CA 0.605 56.349 56.400 -1.094 0.000 0.870 186 E CB 0.001 29.286 29.700 -0.691 0.000 0.818 186 E HN 0.178 nan 8.360 nan 0.000 0.527 187 A N 1.961 124.610 122.820 -0.285 0.000 1.912 187 A HA -0.331 3.989 4.320 -0.000 0.000 0.217 187 A C 2.462 179.988 177.584 -0.097 0.000 1.309 187 A CA 2.842 54.800 52.037 -0.132 0.000 0.726 187 A CB -1.675 17.267 19.000 -0.098 0.000 0.840 187 A HN 0.405 nan 8.150 nan 0.000 0.473 188 T N -0.289 114.211 114.554 -0.089 0.000 2.620 188 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 188 T C 1.940 176.631 174.700 -0.016 0.000 1.044 188 T CA 2.299 64.375 62.100 -0.040 0.000 1.161 188 T CB -1.135 67.717 68.868 -0.027 0.000 0.862 188 T HN 0.781 nan 8.240 nan 0.000 0.438 189 G N 1.135 109.925 108.800 -0.017 0.000 2.491 189 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 189 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 189 G C 1.516 176.439 174.900 0.038 0.000 1.180 189 G CA 1.239 46.372 45.100 0.056 0.000 0.774 189 G HN 0.508 nan 8.290 nan 0.000 0.562 190 R N 0.395 120.895 120.500 0.000 0.000 2.117 190 R HA -0.055 4.285 4.340 -0.000 0.000 0.243 190 R C 2.699 179.015 176.300 0.026 0.000 1.143 190 R CA 1.904 58.014 56.100 0.017 0.000 0.968 190 R CB -0.803 29.498 30.300 0.002 0.000 0.863 190 R HN 0.325 nan 8.270 nan 0.000 0.444 191 G N -0.020 108.792 108.800 0.021 0.000 2.421 191 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 191 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 191 G C 1.420 176.342 174.900 0.038 0.000 1.171 191 G CA 0.912 46.032 45.100 0.033 0.000 0.775 191 G HN 0.240 nan 8.290 nan 0.000 0.543 192 V N 1.336 121.272 119.914 0.038 0.000 2.332 192 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 192 V C 2.822 178.940 176.094 0.039 0.000 1.055 192 V CA 2.260 64.587 62.300 0.044 0.000 1.038 192 V CB -0.352 31.499 31.823 0.046 0.000 0.651 192 V HN 0.402 nan 8.190 nan 0.000 0.450 193 K N 0.389 120.812 120.400 0.037 0.000 1.991 193 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 193 K C 2.129 178.732 176.600 0.006 0.000 1.049 193 K CA 2.156 58.461 56.287 0.030 0.000 0.932 193 K CB -0.705 31.818 32.500 0.038 0.000 0.717 193 K HN 0.329 nan 8.250 nan 0.000 0.441 194 V N 1.455 121.370 119.914 0.002 0.000 2.278 194 V HA -0.376 3.744 4.120 -0.000 0.000 0.251 194 V C 2.790 178.831 176.094 -0.088 0.000 1.062 194 V CA 2.150 64.431 62.300 -0.031 0.000 1.038 194 V CB -0.616 31.202 31.823 -0.008 0.000 0.646 194 V HN 0.462 nan 8.190 nan 0.000 0.447 195 C N -0.337 118.939 119.300 -0.040 0.000 2.453 195 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 195 C C 3.077 178.037 174.990 -0.050 0.000 1.262 195 C CA 0.604 59.596 59.018 -0.043 0.000 1.718 195 C CB -1.380 26.428 27.740 0.113 0.000 2.031 195 C HN 0.658 nan 8.230 nan 0.000 0.480 196 A N 0.899 123.718 122.820 -0.001 0.000 1.917 196 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 196 A C 2.365 179.934 177.584 -0.026 0.000 1.182 196 A CA 2.386 54.429 52.037 0.011 0.000 0.633 196 A CB -1.330 17.686 19.000 0.025 0.000 0.819 196 A HN 0.575 nan 8.150 nan 0.000 0.448 197 G N -0.381 108.384 108.800 -0.057 0.000 2.433 197 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 197 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 197 G C 1.555 176.376 174.900 -0.133 0.000 1.186 197 G CA 0.965 46.022 45.100 -0.072 0.000 0.779 197 G HN 0.428 nan 8.290 nan 0.000 0.543 198 L N 0.724 121.784 121.223 -0.272 0.000 2.079 198 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 198 L C 3.411 180.102 176.870 -0.298 0.000 1.081 198 L CA 1.114 55.668 54.840 -0.476 0.000 0.752 198 L CB -0.420 40.938 42.059 -1.167 0.000 0.896 198 L HN 0.345 nan 8.230 nan 0.000 0.433 199 A N -0.474 122.263 122.820 -0.138 0.000 1.898 199 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 199 A C 2.282 179.894 177.584 0.047 0.000 1.181 199 A CA 1.520 53.610 52.037 0.089 0.000 0.620 199 A CB -0.456 18.623 19.000 0.131 0.000 0.819 199 A HN 0.325 nan 8.150 nan 0.000 0.442 200 M N -0.390 119.213 119.600 0.006 0.000 2.195 200 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 200 M C 1.437 177.743 176.300 0.009 0.000 1.066 200 M CA 1.596 56.903 55.300 0.011 0.000 1.089 200 M CB -0.378 32.221 32.600 -0.001 0.000 1.377 200 M HN 0.453 nan 8.290 nan 0.000 0.411 201 D N -0.440 119.955 120.400 -0.009 0.000 2.084 201 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 201 D C 1.950 178.269 176.300 0.033 0.000 0.981 201 D CA 1.948 55.948 54.000 -0.001 0.000 0.841 201 D CB -0.382 40.399 40.800 -0.032 0.000 0.997 201 D HN 0.358 nan 8.370 nan 0.000 0.454 202 V N 0.144 120.097 119.914 0.066 0.000 2.568 202 V HA -0.185 3.935 4.120 -0.000 0.000 0.253 202 V C 2.012 178.147 176.094 0.068 0.000 1.072 202 V CA 1.400 63.756 62.300 0.093 0.000 1.084 202 V CB -0.523 31.397 31.823 0.161 0.000 0.676 202 V HN 0.020 nan 8.190 nan 0.000 0.469 203 L N 1.454 122.714 121.223 0.060 0.000 2.558 203 L HA 0.516 4.856 4.340 -0.000 0.000 0.225 203 L C 1.959 178.849 176.870 0.035 0.000 1.128 203 L CA 1.171 56.040 54.840 0.047 0.000 0.868 203 L CB -0.694 41.394 42.059 0.048 0.000 1.006 203 L HN 0.683 nan 8.230 nan 0.000 0.454 204 G N 0.021 108.839 108.800 0.031 0.000 2.160 204 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.251 204 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.251 204 G C 0.450 175.362 174.900 0.020 0.000 1.008 204 G CA 0.472 45.586 45.100 0.023 0.000 0.724 204 G HN 0.336 nan 8.290 nan 0.000 0.514 205 I N -0.060 120.522 120.570 0.020 0.000 2.577 205 I HA 0.369 4.539 4.170 -0.000 0.000 0.300 205 I C 0.138 176.264 176.117 0.014 0.000 0.990 205 I CA -0.830 60.481 61.300 0.019 0.000 1.283 205 I CB 1.191 39.204 38.000 0.023 0.000 1.411 205 I HN 0.042 nan 8.210 nan 0.000 0.515 206 D N 5.932 126.340 120.400 0.014 0.000 2.313 206 D HA 0.238 4.878 4.640 -0.000 0.000 0.239 206 D C -1.796 174.511 176.300 0.012 0.000 1.142 206 D CA -2.341 51.665 54.000 0.011 0.000 0.847 206 D CB 1.653 42.459 40.800 0.011 0.000 1.082 206 D HN 0.109 nan 8.370 nan 0.000 0.480 207 P HA -0.205 nan 4.420 nan 0.000 0.218 207 P C 0.792 178.102 177.300 0.016 0.000 1.150 207 P CA 1.534 64.641 63.100 0.012 0.000 0.841 207 P CB 0.242 31.946 31.700 0.006 0.000 0.784 208 K N -0.640 119.769 120.400 0.014 0.000 2.137 208 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 208 K C 2.065 178.673 176.600 0.015 0.000 1.052 208 K CA 0.805 57.101 56.287 0.014 0.000 0.961 208 K CB -0.179 32.327 32.500 0.011 0.000 0.741 208 K HN 0.140 nan 8.250 nan 0.000 0.452 209 K N 1.203 121.611 120.400 0.014 0.000 2.305 209 K HA 0.080 4.400 4.320 -0.000 0.000 0.199 209 K C 0.635 177.247 176.600 0.020 0.000 1.047 209 K CA 0.021 56.317 56.287 0.015 0.000 0.976 209 K CB 0.211 32.719 32.500 0.013 0.000 0.765 209 K HN 0.054 nan 8.250 nan 0.000 0.474 210 A N 1.290 124.124 122.820 0.023 0.000 2.448 210 A HA 0.113 4.433 4.320 -0.000 0.000 0.239 210 A C 0.180 177.787 177.584 0.038 0.000 1.080 210 A CA 0.359 52.414 52.037 0.030 0.000 0.779 210 A CB 0.182 19.200 19.000 0.030 0.000 1.026 210 A HN 0.378 nan 8.150 nan 0.000 0.499 211 T N -1.470 113.113 114.554 0.047 0.000 2.861 211 T HA 0.635 4.985 4.350 -0.000 0.000 0.287 211 T C -0.763 173.981 174.700 0.073 0.000 1.003 211 T CA -0.654 61.483 62.100 0.062 0.000 0.977 211 T CB 1.171 70.082 68.868 0.071 0.000 0.996 211 T HN 0.736 nan 8.240 nan 0.000 0.448 212 V N 1.610 121.576 119.914 0.086 0.000 2.735 212 V HA 0.872 4.992 4.120 -0.000 0.000 0.310 212 V C -0.080 176.080 176.094 0.110 0.000 1.061 212 V CA -1.071 61.282 62.300 0.088 0.000 0.913 212 V CB 1.835 33.706 31.823 0.079 0.000 1.005 212 V HN 1.329 nan 8.190 nan 0.000 0.428 213 A N 3.661 126.540 122.820 0.097 0.000 2.311 213 A HA 0.801 5.121 4.320 -0.000 0.000 0.306 213 A C -0.952 176.680 177.584 0.081 0.000 1.189 213 A CA -0.483 51.614 52.037 0.100 0.000 0.791 213 A CB 1.333 20.386 19.000 0.088 0.000 1.172 213 A HN 0.670 nan 8.150 nan 0.000 0.481 214 V N 3.567 123.533 119.914 0.086 0.000 2.347 214 V HA 0.275 4.395 4.120 -0.000 0.000 0.280 214 V C 0.276 176.420 176.094 0.083 0.000 1.021 214 V CA -0.424 61.930 62.300 0.090 0.000 0.847 214 V CB 1.336 33.234 31.823 0.125 0.000 0.990 214 V HN 0.919 nan 8.190 nan 0.000 0.444 215 Q N 3.505 123.347 119.800 0.069 0.000 2.337 215 Q HA 0.543 4.883 4.340 -0.000 0.000 0.255 215 Q C 0.274 176.321 176.000 0.078 0.000 0.997 215 Q CA 0.581 56.419 55.803 0.059 0.000 0.925 215 Q CB 1.119 29.884 28.738 0.044 0.000 1.212 215 Q HN 1.119 nan 8.270 nan 0.000 0.436 216 G N 2.782 111.641 108.800 0.098 0.000 2.539 216 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 216 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 216 G C -1.291 173.763 174.900 0.257 0.000 1.258 216 G CA -0.833 44.343 45.100 0.127 0.000 0.846 216 G HN 0.502 nan 8.290 nan 0.000 0.647 217 F N 2.094 122.029 119.950 -0.026 0.000 2.556 217 F HA 0.539 5.066 4.527 -0.000 0.000 0.384 217 F C 1.033 176.814 175.800 -0.032 0.000 1.493 217 F CA 0.255 58.228 58.000 -0.045 0.000 1.119 217 F CB 0.430 39.387 39.000 -0.072 0.000 1.280 217 F HN 0.902 nan 8.300 nan 0.000 0.525 218 G N 0.409 109.192 108.800 -0.029 0.000 2.630 218 G HA2 0.026 3.986 3.960 -0.000 0.000 0.223 218 G HA3 0.026 3.986 3.960 -0.000 0.000 0.223 218 G C 0.869 175.700 174.900 -0.115 0.000 1.434 218 G CA 0.167 45.239 45.100 -0.047 0.000 1.057 218 G HN 0.264 nan 8.290 nan 0.000 0.570 219 N N -1.130 117.555 118.700 -0.025 0.000 2.013 219 N HA -0.183 4.557 4.740 -0.000 0.000 0.195 219 N C 2.267 177.836 175.510 0.099 0.000 1.051 219 N CA 2.437 55.524 53.050 0.062 0.000 0.851 219 N CB -0.576 37.967 38.487 0.094 0.000 1.044 219 N HN 0.144 nan 8.380 nan 0.000 0.422 220 V N 0.292 120.241 119.914 0.058 0.000 2.252 220 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 220 V C 2.456 178.560 176.094 0.017 0.000 1.056 220 V CA 2.176 64.510 62.300 0.056 0.000 1.022 220 V CB -1.642 30.199 31.823 0.031 0.000 0.641 220 V HN 0.579 nan 8.190 nan 0.000 0.445 221 G N -0.993 107.782 108.800 -0.042 0.000 2.491 221 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 221 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 221 G C 1.488 176.234 174.900 -0.257 0.000 1.180 221 G CA 1.115 46.172 45.100 -0.072 0.000 0.774 221 G HN 0.574 nan 8.290 nan 0.000 0.562 222 Q N -0.490 118.934 119.800 -0.627 0.000 2.002 222 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 222 Q C 2.438 178.158 176.000 -0.467 0.000 0.988 222 Q CA 1.573 56.817 55.803 -0.932 0.000 0.843 222 Q CB -0.359 27.747 28.738 -1.053 0.000 0.908 222 Q HN 0.561 nan 8.270 nan 0.000 0.420 223 F N 0.466 120.288 119.950 -0.213 0.000 2.171 223 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 223 F C 2.461 178.222 175.800 -0.065 0.000 1.090 223 F CA 0.768 58.702 58.000 -0.110 0.000 1.293 223 F CB -0.323 38.628 39.000 -0.082 0.000 1.013 223 F HN 0.107 nan 8.300 nan 0.000 0.486 224 A N 0.108 122.998 122.820 0.116 0.000 1.883 224 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 224 A C 2.375 179.998 177.584 0.064 0.000 1.186 224 A CA 1.910 53.996 52.037 0.081 0.000 0.624 224 A CB -1.304 17.733 19.000 0.060 0.000 0.822 224 A HN 0.329 nan 8.150 nan 0.000 0.444 225 A N -0.565 122.278 122.820 0.039 0.000 1.873 225 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 225 A C 2.231 179.847 177.584 0.053 0.000 1.186 225 A CA 1.414 53.491 52.037 0.067 0.000 0.616 225 A CB -0.625 18.452 19.000 0.129 0.000 0.823 225 A HN 0.519 nan 8.150 nan 0.000 0.442 226 L N -0.571 120.657 121.223 0.008 0.000 1.989 226 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 226 L C 2.524 179.429 176.870 0.059 0.000 1.071 226 L CA 1.725 56.573 54.840 0.014 0.000 0.749 226 L CB -0.285 41.744 42.059 -0.050 0.000 0.890 226 L HN 0.433 nan 8.230 nan 0.000 0.431 227 L N -0.813 120.462 121.223 0.088 0.000 2.109 227 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 227 L C 2.411 179.318 176.870 0.062 0.000 1.086 227 L CA 0.910 55.800 54.840 0.084 0.000 0.760 227 L CB -0.288 41.831 42.059 0.100 0.000 0.910 227 L HN 0.242 nan 8.230 nan 0.000 0.437 228 I N -0.665 119.941 120.570 0.061 0.000 2.361 228 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 228 I C 2.803 178.951 176.117 0.050 0.000 1.133 228 I CA 1.399 62.729 61.300 0.051 0.000 1.413 228 I CB -0.133 37.900 38.000 0.055 0.000 1.073 228 I HN 0.293 nan 8.210 nan 0.000 0.424 229 S N 0.293 116.027 115.700 0.057 0.000 2.335 229 S HA -0.184 4.285 4.470 -0.000 0.000 0.217 229 S C 1.969 176.597 174.600 0.047 0.000 1.032 229 S CA 1.094 59.328 58.200 0.056 0.000 0.985 229 S CB -0.170 63.069 63.200 0.066 0.000 0.896 229 S HN 0.419 nan 8.310 nan 0.000 0.445 230 Q N 0.541 120.369 119.800 0.047 0.000 1.990 230 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 230 Q C 2.404 178.426 176.000 0.037 0.000 0.980 230 Q CA 1.721 57.550 55.803 0.042 0.000 0.832 230 Q CB -0.264 28.502 28.738 0.046 0.000 0.897 230 Q HN 0.717 nan 8.270 nan 0.000 0.427 231 E N 0.438 120.661 120.200 0.038 0.000 2.112 231 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 231 E C 2.043 178.658 176.600 0.024 0.000 0.979 231 E CA 0.647 57.066 56.400 0.031 0.000 0.814 231 E CB 0.092 29.812 29.700 0.033 0.000 0.762 231 E HN 0.294 nan 8.360 nan 0.000 0.460 232 L N -0.339 120.900 121.223 0.026 0.000 2.307 232 L HA 0.103 4.443 4.340 -0.000 0.000 0.211 232 L C 1.560 178.443 176.870 0.021 0.000 1.099 232 L CA 0.648 55.500 54.840 0.020 0.000 0.816 232 L CB 0.020 42.091 42.059 0.020 0.000 0.952 232 L HN 0.361 nan 8.230 nan 0.000 0.455 233 G N -0.328 108.488 108.800 0.027 0.000 2.159 233 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.256 233 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.256 233 G C 0.376 175.292 174.900 0.027 0.000 0.977 233 G CA 0.435 45.550 45.100 0.025 0.000 0.652 233 G HN 0.338 nan 8.290 nan 0.000 0.531 234 S N -0.087 115.633 115.700 0.032 0.000 2.617 234 S HA 0.504 4.974 4.470 -0.000 0.000 0.259 234 S C 0.468 175.094 174.600 0.044 0.000 1.301 234 S CA -0.037 58.185 58.200 0.036 0.000 0.984 234 S CB 0.766 63.991 63.200 0.040 0.000 0.954 234 S HN 0.444 nan 8.310 nan 0.000 0.572 235 K N 1.337 121.765 120.400 0.047 0.000 2.404 235 K HA 0.338 4.658 4.320 -0.000 0.000 0.257 235 K C -1.352 175.298 176.600 0.084 0.000 1.026 235 K CA -0.457 55.862 56.287 0.053 0.000 0.951 235 K CB 1.097 33.613 32.500 0.027 0.000 1.203 235 K HN 0.214 nan 8.250 nan 0.000 0.446 236 V N 4.312 124.295 119.914 0.115 0.000 2.359 236 V HA -0.067 4.053 4.120 -0.000 0.000 0.248 236 V C 1.526 177.766 176.094 0.244 0.000 1.091 236 V CA 0.083 62.479 62.300 0.161 0.000 1.103 236 V CB -0.007 31.914 31.823 0.162 0.000 1.176 236 V HN 0.691 nan 8.190 nan 0.000 0.488 237 V N 2.124 122.164 119.914 0.209 0.000 3.461 237 V HA 0.582 4.702 4.120 -0.000 0.000 0.267 237 V C 0.766 177.115 176.094 0.424 0.000 1.186 237 V CA 0.940 63.366 62.300 0.210 0.000 1.154 237 V CB -0.306 31.615 31.823 0.163 0.000 0.802 237 V HN 0.884 nan 8.190 nan 0.000 0.474 238 A N -0.031 123.016 122.820 0.379 0.000 2.565 238 A HA 0.741 5.061 4.320 -0.000 0.000 0.298 238 A C -0.887 176.725 177.584 0.046 0.000 1.062 238 A CA 0.093 52.310 52.037 0.300 0.000 0.723 238 A CB 1.607 20.806 19.000 0.331 0.000 1.282 238 A HN 1.536 nan 8.150 nan 0.000 0.400 239 V N -0.275 119.537 119.914 -0.170 0.000 3.102 239 V HA 1.023 5.143 4.120 -0.000 0.000 0.312 239 V C -0.292 175.659 176.094 -0.238 0.000 1.135 239 V CA 0.034 62.194 62.300 -0.234 0.000 1.022 239 V CB 1.727 33.222 31.823 -0.546 0.000 1.056 239 V HN 2.217 nan 8.190 nan 0.000 0.436 240 S N 1.079 116.688 115.700 -0.152 0.000 2.569 240 S HA 0.611 5.081 4.470 -0.000 0.000 0.280 240 S C -1.014 173.552 174.600 -0.058 0.000 1.111 240 S CA -0.611 57.528 58.200 -0.102 0.000 0.887 240 S CB 2.197 65.383 63.200 -0.023 0.000 1.095 240 S HN 1.073 nan 8.310 nan 0.000 0.476 241 D N 0.262 120.635 120.400 -0.046 0.000 2.588 241 D HA 0.420 5.060 4.640 -0.000 0.000 0.268 241 D C 0.925 177.244 176.300 0.031 0.000 1.176 241 D CA -0.350 53.655 54.000 0.009 0.000 1.080 241 D CB 2.083 42.881 40.800 -0.004 0.000 1.186 241 D HN 0.644 nan 8.370 nan 0.000 0.619 242 S N -0.448 115.278 115.700 0.044 0.000 2.603 242 S HA 0.087 4.557 4.470 -0.000 0.000 0.220 242 S C 1.424 176.043 174.600 0.033 0.000 0.967 242 S CA 0.280 58.505 58.200 0.041 0.000 0.920 242 S CB 0.511 63.739 63.200 0.046 0.000 0.773 242 S HN 0.295 nan 8.310 nan 0.000 0.529 243 R N 0.808 121.325 120.500 0.028 0.000 2.049 243 R HA 0.454 4.794 4.340 -0.000 0.000 0.202 243 R C 1.233 177.543 176.300 0.017 0.000 1.306 243 R CA 0.772 56.887 56.100 0.025 0.000 1.107 243 R CB -0.065 30.253 30.300 0.030 0.000 0.996 243 R HN 0.417 nan 8.270 nan 0.000 0.469 244 G N -1.254 107.550 108.800 0.008 0.000 2.947 244 G HA2 0.565 4.525 3.960 -0.000 0.000 0.293 244 G HA3 0.565 4.525 3.960 -0.000 0.000 0.293 244 G C -1.328 173.560 174.900 -0.020 0.000 1.243 244 G CA -0.234 44.867 45.100 0.001 0.000 0.802 244 G HN 0.387 nan 8.290 nan 0.000 0.560 245 G N -0.990 107.801 108.800 -0.016 0.000 2.694 245 G HA2 0.697 4.657 3.960 -0.000 0.000 0.290 245 G HA3 0.697 4.657 3.960 -0.000 0.000 0.290 245 G C -1.028 173.873 174.900 0.002 0.000 1.386 245 G CA -0.644 44.435 45.100 -0.035 0.000 0.872 245 G HN 1.192 nan 8.290 nan 0.000 0.475 246 I N -1.710 118.863 120.570 0.004 0.000 2.582 246 I HA 0.649 4.818 4.170 -0.000 0.000 0.292 246 I C -1.565 174.795 176.117 0.405 0.000 1.066 246 I CA -1.130 60.268 61.300 0.164 0.000 1.053 246 I CB 2.308 40.391 38.000 0.138 0.000 1.241 246 I HN 0.429 nan 8.210 nan 0.000 0.421 247 Y N 5.285 125.737 120.300 0.253 0.000 2.534 247 Y HA 0.642 5.192 4.550 -0.000 0.000 0.329 247 Y C -0.489 175.455 175.900 0.074 0.000 1.154 247 Y CA -1.139 57.088 58.100 0.212 0.000 1.192 247 Y CB 1.639 40.149 38.460 0.083 0.000 1.275 247 Y HN 0.801 nan 8.280 nan 0.000 0.491 248 N N 4.047 122.239 118.700 -0.846 0.000 4.308 248 N HA 0.077 4.817 4.740 -0.000 0.000 0.168 248 N C -2.841 172.163 175.510 -0.844 0.000 1.348 248 N CA -0.758 51.757 53.050 -0.893 0.000 0.882 248 N CB 1.025 38.832 38.487 -1.133 0.000 1.713 248 N HN 0.299 nan 8.380 nan 0.000 0.818 249 P HA -0.044 nan 4.420 nan 0.000 0.226 249 P C 0.913 178.053 177.300 -0.267 0.000 1.153 249 P CA 0.849 63.671 63.100 -0.463 0.000 0.777 249 P CB 0.662 32.190 31.700 -0.287 0.000 0.794 250 E N -0.073 119.946 120.200 -0.302 0.000 2.150 250 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 250 E C 0.564 177.056 176.600 -0.180 0.000 0.985 250 E CA 0.703 56.979 56.400 -0.207 0.000 0.814 250 E CB -0.174 29.397 29.700 -0.214 0.000 0.752 250 E HN 0.189 nan 8.360 nan 0.000 0.466 251 G N -0.273 108.375 108.800 -0.253 0.000 2.885 251 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.685 251 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.685 251 G C -0.754 174.042 174.900 -0.173 0.000 1.216 251 G CA -0.811 44.204 45.100 -0.141 0.000 0.790 251 G HN 0.067 nan 8.290 nan 0.000 0.631 252 F N 0.479 120.416 119.950 -0.022 0.000 2.368 252 F HA 0.544 5.071 4.527 -0.000 0.000 0.315 252 F C 0.945 176.747 175.800 0.003 0.000 1.145 252 F CA 0.311 58.307 58.000 -0.007 0.000 1.095 252 F CB 1.509 40.486 39.000 -0.038 0.000 1.286 252 F HN 0.489 nan 8.300 nan 0.000 0.530 253 D N 0.546 121.107 120.400 0.269 0.000 2.485 253 D HA 0.244 4.884 4.640 -0.000 0.000 0.256 253 D C 0.737 177.100 176.300 0.105 0.000 1.141 253 D CA -0.258 53.831 54.000 0.148 0.000 0.942 253 D CB 0.564 41.443 40.800 0.132 0.000 1.003 253 D HN 0.254 nan 8.370 nan 0.000 0.507 254 V N 2.524 122.497 119.914 0.097 0.000 2.363 254 V HA -0.297 3.823 4.120 -0.000 0.000 0.254 254 V C 2.277 178.395 176.094 0.040 0.000 1.074 254 V CA 1.589 63.932 62.300 0.071 0.000 1.069 254 V CB -0.613 31.255 31.823 0.076 0.000 0.659 254 V HN 0.536 nan 8.190 nan 0.000 0.455 255 E N 0.205 120.426 120.200 0.036 0.000 2.033 255 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 255 E C 2.329 178.948 176.600 0.032 0.000 1.011 255 E CA 2.016 58.430 56.400 0.023 0.000 0.815 255 E CB -0.205 29.517 29.700 0.036 0.000 0.755 255 E HN 0.762 nan 8.360 nan 0.000 0.451 256 E N 0.485 120.716 120.200 0.052 0.000 2.031 256 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 256 E C 2.429 179.034 176.600 0.008 0.000 0.994 256 E CA 0.509 56.956 56.400 0.077 0.000 0.800 256 E CB -0.173 29.612 29.700 0.142 0.000 0.752 256 E HN 0.152 nan 8.360 nan 0.000 0.447 257 L N 1.053 122.186 121.223 -0.149 0.000 2.089 257 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 257 L C 2.349 179.218 176.870 -0.001 0.000 1.079 257 L CA 0.979 55.611 54.840 -0.346 0.000 0.758 257 L CB -0.245 41.552 42.059 -0.437 0.000 0.891 257 L HN 0.275 nan 8.230 nan 0.000 0.433 258 I N -1.083 119.545 120.570 0.097 0.000 2.163 258 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 258 I C 2.677 178.847 176.117 0.087 0.000 1.081 258 I CA 1.104 62.469 61.300 0.108 0.000 1.353 258 I CB -0.350 37.617 38.000 -0.055 0.000 1.054 258 I HN 0.211 nan 8.210 nan 0.000 0.407 259 R N 0.226 120.770 120.500 0.073 0.000 2.080 259 R HA -0.242 4.098 4.340 -0.000 0.000 0.236 259 R C 2.322 178.697 176.300 0.124 0.000 1.137 259 R CA 1.891 58.035 56.100 0.074 0.000 0.943 259 R CB -0.973 29.377 30.300 0.082 0.000 0.846 259 R HN 0.343 nan 8.270 nan 0.000 0.431 260 Y N 1.192 121.540 120.300 0.080 0.000 2.128 260 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 260 Y C 2.137 178.158 175.900 0.203 0.000 1.154 260 Y CA 1.673 59.901 58.100 0.214 0.000 1.149 260 Y CB 0.049 38.604 38.460 0.159 0.000 0.976 260 Y HN -0.100 nan 8.280 nan 0.000 0.505 261 K N 0.921 121.535 120.400 0.358 0.000 2.209 261 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 261 K C 1.709 178.391 176.600 0.136 0.000 1.048 261 K CA 1.435 57.884 56.287 0.270 0.000 0.940 261 K CB -0.073 32.612 32.500 0.309 0.000 0.729 261 K HN 0.438 nan 8.250 nan 0.000 0.451 262 K N 0.197 120.638 120.400 0.068 0.000 2.005 262 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 262 K C 2.131 178.675 176.600 -0.094 0.000 1.044 262 K CA 1.002 57.283 56.287 -0.010 0.000 0.942 262 K CB -0.114 32.372 32.500 -0.024 0.000 0.727 262 K HN 0.135 nan 8.250 nan 0.000 0.439 263 E N 0.484 120.562 120.200 -0.205 0.000 2.021 263 E HA -0.150 4.200 4.350 -0.000 0.000 0.200 263 E C -0.136 176.129 176.600 -0.559 0.000 1.015 263 E CA 1.439 57.554 56.400 -0.476 0.000 0.824 263 E CB 0.055 29.267 29.700 -0.814 0.000 0.762 263 E HN 0.356 nan 8.360 nan 0.000 0.454 264 H N -1.979 116.968 119.070 -0.205 0.000 2.467 264 H HA 0.332 4.888 4.556 -0.000 0.000 0.326 264 H C 0.940 176.251 175.328 -0.029 0.000 1.094 264 H CA -0.085 55.869 56.048 -0.156 0.000 1.253 264 H CB 1.697 31.273 29.762 -0.310 0.000 1.439 264 H HN 0.225 nan 8.280 nan 0.000 0.479 265 G N 2.244 111.100 108.800 0.093 0.000 2.626 265 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.224 265 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.224 265 G C 0.648 175.618 174.900 0.117 0.000 1.095 265 G CA 1.721 46.872 45.100 0.085 0.000 0.738 265 G HN 0.820 nan 8.290 nan 0.000 0.600 266 T N -4.621 110.034 114.554 0.169 0.000 2.812 266 T HA 0.423 4.773 4.350 -0.000 0.000 0.294 266 T C 1.097 175.923 174.700 0.210 0.000 1.159 266 T CA 0.188 62.380 62.100 0.152 0.000 1.008 266 T CB 1.602 70.529 68.868 0.098 0.000 1.289 266 T HN 0.402 nan 8.240 nan 0.000 0.514 267 V N -0.057 119.872 119.914 0.025 0.000 2.951 267 V HA 0.235 4.355 4.120 -0.000 0.000 0.255 267 V C 1.370 177.388 176.094 -0.127 0.000 1.088 267 V CA 0.383 62.582 62.300 -0.168 0.000 1.109 267 V CB -1.300 30.215 31.823 -0.514 0.000 0.724 267 V HN 0.756 nan 8.190 nan 0.000 0.471 268 V N 0.784 120.684 119.914 -0.024 0.000 3.287 268 V HA 0.247 4.367 4.120 -0.000 0.000 0.306 268 V C 1.596 177.733 176.094 0.071 0.000 1.103 268 V CA 1.041 63.347 62.300 0.009 0.000 1.159 268 V CB -0.107 31.732 31.823 0.027 0.000 1.036 268 V HN 0.656 nan 8.190 nan 0.000 0.487 269 T N -0.566 114.017 114.554 0.049 0.000 10.376 269 T HA -0.304 4.046 4.350 -0.000 0.000 0.366 269 T C 0.139 174.848 174.700 0.015 0.000 1.790 269 T CA 1.615 63.759 62.100 0.073 0.000 2.837 269 T CB -1.683 67.284 68.868 0.165 0.000 2.485 269 T HN 1.102 nan 8.240 nan 0.000 0.947 270 Y N 6.070 126.152 120.300 -0.363 0.000 2.802 270 Y HA 0.337 4.887 4.550 -0.000 0.000 0.333 270 Y C -1.869 173.852 175.900 -0.298 0.000 1.244 270 Y CA -1.884 55.717 58.100 -0.831 0.000 1.558 270 Y CB 0.349 38.148 38.460 -1.102 0.000 1.233 270 Y HN 0.154 nan 8.280 nan 0.000 0.547 271 P HA -0.015 nan 4.420 nan 0.000 0.274 271 P C -0.441 176.440 177.300 -0.699 0.000 1.264 271 P CA -0.168 62.617 63.100 -0.526 0.000 0.795 271 P CB 0.458 31.931 31.700 -0.379 0.000 1.064 272 K N -1.275 118.905 120.400 -0.366 0.000 3.071 272 K HA -0.148 4.172 4.320 -0.000 0.000 0.265 272 K C -0.287 176.211 176.600 -0.169 0.000 1.060 272 K CA 1.198 57.320 56.287 -0.275 0.000 0.767 272 K CB -1.922 30.401 32.500 -0.294 0.000 1.241 272 K HN 0.939 nan 8.250 nan 0.000 0.486 273 G N 0.837 109.593 108.800 -0.074 0.000 2.684 273 G HA2 0.275 4.235 3.960 -0.000 0.000 0.289 273 G HA3 0.275 4.235 3.960 -0.000 0.000 0.289 273 G C -1.199 173.755 174.900 0.090 0.000 1.416 273 G CA -0.616 44.555 45.100 0.119 0.000 1.235 273 G HN 0.178 nan 8.290 nan 0.000 0.576 274 E N 2.180 122.441 120.200 0.101 0.000 2.029 274 E HA 0.159 4.509 4.350 -0.000 0.000 0.276 274 E C 0.817 177.504 176.600 0.144 0.000 1.163 274 E CA -0.532 55.935 56.400 0.112 0.000 0.909 274 E CB 0.436 30.227 29.700 0.152 0.000 1.046 274 E HN 0.481 nan 8.360 nan 0.000 0.406 275 R N 4.495 125.048 120.500 0.088 0.000 2.583 275 R HA 0.084 4.424 4.340 -0.000 0.000 0.274 275 R C -0.021 176.316 176.300 0.061 0.000 0.998 275 R CA 0.586 56.727 56.100 0.069 0.000 1.081 275 R CB 0.204 30.528 30.300 0.039 0.000 0.940 275 R HN 0.595 nan 8.270 nan 0.000 0.413 276 I N -1.279 119.320 120.570 0.048 0.000 3.195 276 I HA 0.427 4.597 4.170 -0.000 0.000 0.313 276 I C -0.498 175.626 176.117 0.012 0.000 1.237 276 I CA -1.128 60.186 61.300 0.023 0.000 0.963 276 I CB 2.148 40.155 38.000 0.011 0.000 1.278 276 I HN 0.575 nan 8.210 nan 0.000 0.460 277 T N 0.651 115.206 114.554 0.002 0.000 2.847 277 T HA 0.318 4.668 4.350 -0.000 0.000 0.279 277 T C 0.690 175.392 174.700 0.003 0.000 0.984 277 T CA 0.161 62.264 62.100 0.005 0.000 0.988 277 T CB 1.000 69.872 68.868 0.006 0.000 1.040 277 T HN 0.798 nan 8.240 nan 0.000 0.528 278 N N 0.564 119.270 118.700 0.010 0.000 2.080 278 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 278 N C 1.850 177.369 175.510 0.015 0.000 1.036 278 N CA 1.155 54.214 53.050 0.014 0.000 0.846 278 N CB 0.002 38.503 38.487 0.023 0.000 1.015 278 N HN 0.627 nan 8.380 nan 0.000 0.423 279 E N 0.571 120.783 120.200 0.021 0.000 2.265 279 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 279 E C 1.430 178.029 176.600 -0.003 0.000 0.996 279 E CA 0.750 57.164 56.400 0.023 0.000 0.832 279 E CB -0.026 29.698 29.700 0.041 0.000 0.756 279 E HN 0.523 nan 8.360 nan 0.000 0.491 280 E N 0.662 120.855 120.200 -0.012 0.000 2.072 280 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 280 E C 2.248 178.818 176.600 -0.050 0.000 0.982 280 E CA 0.192 56.570 56.400 -0.036 0.000 0.803 280 E CB -0.001 29.674 29.700 -0.042 0.000 0.755 280 E HN 0.129 nan 8.360 nan 0.000 0.453 281 L N 1.046 122.249 121.223 -0.033 0.000 2.013 281 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 281 L C 2.220 179.078 176.870 -0.021 0.000 1.073 281 L CA 1.249 56.074 54.840 -0.026 0.000 0.753 281 L CB -0.180 41.880 42.059 0.002 0.000 0.890 281 L HN 0.205 nan 8.230 nan 0.000 0.432 282 L N -0.538 120.678 121.223 -0.013 0.000 2.263 282 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 282 L C 1.846 178.699 176.870 -0.028 0.000 1.111 282 L CA 1.363 56.194 54.840 -0.015 0.000 0.773 282 L CB -0.497 41.551 42.059 -0.019 0.000 0.906 282 L HN 0.440 nan 8.230 nan 0.000 0.439 283 E N -0.622 119.554 120.200 -0.040 0.000 2.481 283 E HA 0.160 4.510 4.350 -0.000 0.000 0.198 283 E C 0.434 177.001 176.600 -0.055 0.000 1.027 283 E CA -0.369 56.003 56.400 -0.046 0.000 0.900 283 E CB 0.418 30.088 29.700 -0.049 0.000 0.993 283 E HN 0.342 nan 8.360 nan 0.000 0.482 284 L N 1.620 122.804 121.223 -0.065 0.000 2.503 284 L HA -0.023 4.317 4.340 -0.000 0.000 0.287 284 L C 0.670 177.517 176.870 -0.038 0.000 1.252 284 L CA 0.526 55.313 54.840 -0.088 0.000 0.835 284 L CB 0.101 42.111 42.059 -0.082 0.000 1.099 284 L HN 0.059 nan 8.230 nan 0.000 0.516 285 D N 1.841 122.224 120.400 -0.029 0.000 2.563 285 D HA 0.335 4.975 4.640 -0.000 0.000 0.222 285 D C -0.545 175.781 176.300 0.043 0.000 1.145 285 D CA -0.189 53.816 54.000 0.008 0.000 1.001 285 D CB -0.025 40.780 40.800 0.009 0.000 1.049 285 D HN 0.247 nan 8.370 nan 0.000 0.515 286 V N -0.568 119.373 119.914 0.044 0.000 3.113 286 V HA 0.481 4.601 4.120 -0.000 0.000 0.316 286 V C 1.101 177.223 176.094 0.047 0.000 1.125 286 V CA -0.813 61.524 62.300 0.062 0.000 1.026 286 V CB 2.033 33.904 31.823 0.079 0.000 1.080 286 V HN 0.025 nan 8.190 nan 0.000 0.444 287 D N 0.371 120.801 120.400 0.049 0.000 2.091 287 D HA 0.102 4.742 4.640 -0.000 0.000 0.199 287 D C 0.189 176.515 176.300 0.042 0.000 0.980 287 D CA 1.858 55.883 54.000 0.041 0.000 0.831 287 D CB 0.394 41.218 40.800 0.040 0.000 0.987 287 D HN 0.426 nan 8.370 nan 0.000 0.460 288 I N 0.713 121.311 120.570 0.048 0.000 2.474 288 I HA 0.216 4.386 4.170 -0.000 0.000 0.294 288 I C -0.851 175.297 176.117 0.052 0.000 1.005 288 I CA -0.707 60.622 61.300 0.049 0.000 1.113 288 I CB 2.528 40.558 38.000 0.050 0.000 1.289 288 I HN -0.151 nan 8.210 nan 0.000 0.436 289 L N 7.811 129.062 121.223 0.046 0.000 2.319 289 L HA 0.595 4.935 4.340 -0.000 0.000 0.281 289 L C -1.101 175.797 176.870 0.045 0.000 1.005 289 L CA -0.338 54.529 54.840 0.044 0.000 0.828 289 L CB 1.565 43.643 42.059 0.032 0.000 1.227 289 L HN 0.329 nan 8.230 nan 0.000 0.415 290 V N 7.429 127.374 119.914 0.052 0.000 2.247 290 V HA 0.342 4.462 4.120 -0.000 0.000 0.262 290 V C -1.993 174.129 176.094 0.048 0.000 1.096 290 V CA -1.289 61.042 62.300 0.051 0.000 0.895 290 V CB 0.472 32.330 31.823 0.058 0.000 1.141 290 V HN 0.683 nan 8.190 nan 0.000 0.478 291 P HA 0.191 nan 4.420 nan 0.000 0.268 291 P C -0.117 177.205 177.300 0.036 0.000 1.282 291 P CA 0.244 63.366 63.100 0.036 0.000 0.880 291 P CB 0.952 32.669 31.700 0.028 0.000 0.971 292 A N 3.026 125.872 122.820 0.044 0.000 3.218 292 A HA 0.644 4.964 4.320 -0.000 0.000 0.321 292 A C 0.562 178.172 177.584 0.043 0.000 1.012 292 A CA 0.044 52.105 52.037 0.040 0.000 0.948 292 A CB 0.100 19.126 19.000 0.044 0.000 1.050 292 A HN 0.501 nan 8.150 nan 0.000 0.492 293 A N 0.274 123.117 122.820 0.038 0.000 1.893 293 A HA 0.783 5.103 4.320 -0.000 0.000 0.175 293 A C -0.412 177.191 177.584 0.031 0.000 1.480 293 A CA 0.023 52.084 52.037 0.040 0.000 2.061 293 A CB 0.106 19.134 19.000 0.047 0.000 2.260 293 A HN 0.460 nan 8.150 nan 0.000 1.021 294 L N 0.923 122.165 121.223 0.032 0.000 2.331 294 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 294 L C -0.044 176.841 176.870 0.025 0.000 1.015 294 L CA -0.881 53.975 54.840 0.027 0.000 0.807 294 L CB 1.540 43.617 42.059 0.029 0.000 1.293 294 L HN 0.729 nan 8.230 nan 0.000 0.451 295 E N -0.304 119.907 120.200 0.019 0.000 2.351 295 E HA 0.322 4.672 4.350 -0.000 0.000 0.255 295 E C 0.808 177.428 176.600 0.035 0.000 1.188 295 E CA -0.072 56.340 56.400 0.019 0.000 0.940 295 E CB 0.195 29.900 29.700 0.009 0.000 1.094 295 E HN 0.766 nan 8.360 nan 0.000 0.474 296 G N 0.213 109.039 108.800 0.044 0.000 2.216 296 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.269 296 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.269 296 G C 1.151 176.146 174.900 0.158 0.000 0.981 296 G CA 1.109 46.257 45.100 0.080 0.000 0.658 296 G HN 0.752 nan 8.290 nan 0.000 0.539 297 A N -0.227 122.658 122.820 0.110 0.000 1.909 297 A HA 0.045 4.365 4.320 -0.000 0.000 0.221 297 A C 1.423 179.084 177.584 0.129 0.000 1.223 297 A CA 1.671 53.779 52.037 0.118 0.000 0.658 297 A CB -0.225 18.812 19.000 0.062 0.000 0.831 297 A HN 0.976 nan 8.150 nan 0.000 0.462 298 I N 1.329 121.936 120.570 0.061 0.000 2.306 298 I HA 0.283 4.453 4.170 -0.000 0.000 0.288 298 I C 0.309 176.424 176.117 -0.004 0.000 1.036 298 I CA -0.524 60.753 61.300 -0.038 0.000 1.221 298 I CB 0.488 38.470 38.000 -0.030 0.000 1.385 298 I HN 0.580 nan 8.210 nan 0.000 0.472 299 H N 4.401 123.472 119.070 0.003 0.000 3.024 299 H HA 0.557 5.113 4.556 -0.000 0.000 0.305 299 H C 0.834 176.163 175.328 0.002 0.000 1.506 299 H CA -0.699 55.350 56.048 0.002 0.000 1.324 299 H CB 0.804 30.567 29.762 0.003 0.000 1.925 299 H HN 0.407 nan 8.280 nan 0.000 0.661 300 A N 0.336 123.258 122.820 0.169 0.000 1.903 300 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 300 A C 2.411 180.029 177.584 0.057 0.000 1.191 300 A CA 2.711 54.801 52.037 0.090 0.000 0.638 300 A CB -1.784 17.278 19.000 0.103 0.000 0.823 300 A HN 0.870 nan 8.150 nan 0.000 0.451 301 G N 0.653 109.587 108.800 0.224 0.000 2.476 301 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 301 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 301 G C 1.129 175.973 174.900 -0.093 0.000 1.164 301 G CA 1.521 46.691 45.100 0.116 0.000 0.768 301 G HN 0.770 nan 8.290 nan 0.000 0.560 302 N N 0.629 119.111 118.700 -0.363 0.000 2.282 302 N HA 0.340 5.080 4.740 -0.000 0.000 0.185 302 N C 1.949 177.353 175.510 -0.177 0.000 1.099 302 N CA 0.887 53.786 53.050 -0.251 0.000 0.878 302 N CB -0.507 37.794 38.487 -0.310 0.000 0.993 302 N HN 0.276 nan 8.380 nan 0.000 0.481 303 A N 1.890 124.605 122.820 -0.174 0.000 1.929 303 A HA -0.265 4.055 4.320 -0.000 0.000 0.221 303 A C 1.897 179.445 177.584 -0.060 0.000 1.211 303 A CA 1.873 53.852 52.037 -0.096 0.000 0.657 303 A CB -0.555 18.410 19.000 -0.058 0.000 0.827 303 A HN 0.405 nan 8.150 nan 0.000 0.462 304 E N -1.140 119.030 120.200 -0.050 0.000 2.427 304 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 304 E C 2.007 178.587 176.600 -0.033 0.000 1.028 304 E CA 0.716 57.097 56.400 -0.032 0.000 0.864 304 E CB -0.108 29.579 29.700 -0.022 0.000 0.813 304 E HN 0.610 nan 8.360 nan 0.000 0.514 305 R N 0.500 120.972 120.500 -0.046 0.000 2.161 305 R HA 0.123 4.463 4.340 -0.000 0.000 0.213 305 R C 0.764 177.041 176.300 -0.038 0.000 1.055 305 R CA -0.007 56.068 56.100 -0.041 0.000 0.996 305 R CB 0.066 30.336 30.300 -0.050 0.000 0.901 305 R HN 0.023 nan 8.270 nan 0.000 0.456 306 I N 1.859 122.403 120.570 -0.042 0.000 2.741 306 I HA -0.138 4.032 4.170 -0.000 0.000 0.288 306 I C 0.792 176.898 176.117 -0.018 0.000 1.192 306 I CA 0.921 62.203 61.300 -0.031 0.000 1.426 306 I CB 0.769 38.750 38.000 -0.030 0.000 1.367 306 I HN 0.014 nan 8.210 nan 0.000 0.563 307 K N 5.116 125.509 120.400 -0.013 0.000 2.358 307 K HA 0.323 4.643 4.320 -0.000 0.000 0.197 307 K C 0.565 177.168 176.600 0.005 0.000 1.025 307 K CA -0.149 56.136 56.287 -0.005 0.000 1.104 307 K CB 0.538 33.034 32.500 -0.006 0.000 0.855 307 K HN 0.701 nan 8.250 nan 0.000 0.531 308 A N 1.787 124.611 122.820 0.007 0.000 2.445 308 A HA 0.057 4.377 4.320 -0.000 0.000 0.242 308 A C 0.632 178.227 177.584 0.019 0.000 1.075 308 A CA -0.082 51.965 52.037 0.018 0.000 0.777 308 A CB 0.364 19.377 19.000 0.021 0.000 1.013 308 A HN 0.211 nan 8.150 nan 0.000 0.493 309 K N 0.898 121.313 120.400 0.026 0.000 2.314 309 K HA 0.288 4.608 4.320 -0.000 0.000 0.198 309 K C 0.405 177.026 176.600 0.035 0.000 1.045 309 K CA 1.148 57.452 56.287 0.028 0.000 0.988 309 K CB 0.076 32.594 32.500 0.030 0.000 0.783 309 K HN 0.708 nan 8.250 nan 0.000 0.484 310 A N 1.141 123.984 122.820 0.039 0.000 2.488 310 A HA 0.506 4.826 4.320 -0.000 0.000 0.298 310 A C -1.165 176.446 177.584 0.045 0.000 1.044 310 A CA -0.635 51.431 52.037 0.048 0.000 0.693 310 A CB 1.965 21.003 19.000 0.063 0.000 1.272 310 A HN -0.055 nan 8.150 nan 0.000 0.402 311 V N 3.139 123.079 119.914 0.043 0.000 2.304 311 V HA 0.319 4.439 4.120 -0.000 0.000 0.278 311 V C -0.419 175.703 176.094 0.047 0.000 1.018 311 V CA -0.446 61.877 62.300 0.038 0.000 0.814 311 V CB 1.366 33.203 31.823 0.025 0.000 1.021 311 V HN 0.662 nan 8.190 nan 0.000 0.440 312 V N 4.722 124.668 119.914 0.053 0.000 2.320 312 V HA 0.259 4.379 4.120 -0.000 0.000 0.265 312 V C 0.614 176.735 176.094 0.045 0.000 1.048 312 V CA -0.634 61.702 62.300 0.061 0.000 0.865 312 V CB 0.662 32.527 31.823 0.070 0.000 1.043 312 V HN 0.861 nan 8.190 nan 0.000 0.474 313 E N 3.779 124.000 120.200 0.034 0.000 2.161 313 E HA 0.094 4.444 4.350 -0.000 0.000 0.263 313 E C 1.268 177.879 176.600 0.018 0.000 1.185 313 E CA 0.272 56.684 56.400 0.020 0.000 0.938 313 E CB 0.845 30.547 29.700 0.004 0.000 1.023 313 E HN 0.843 nan 8.360 nan 0.000 0.433 314 G N 2.850 111.664 108.800 0.023 0.000 2.494 314 G HA2 0.065 4.025 3.960 -0.000 0.000 0.216 314 G HA3 0.065 4.025 3.960 -0.000 0.000 0.216 314 G C 0.656 175.562 174.900 0.011 0.000 1.140 314 G CA 0.567 45.680 45.100 0.022 0.000 0.801 314 G HN 0.532 nan 8.290 nan 0.000 0.536 315 A N 0.026 122.850 122.820 0.006 0.000 2.580 315 A HA 0.699 5.019 4.320 -0.000 0.000 0.275 315 A C -0.512 177.057 177.584 -0.025 0.000 1.321 315 A CA -0.662 51.373 52.037 -0.003 0.000 0.924 315 A CB 0.532 19.536 19.000 0.007 0.000 1.512 315 A HN 0.110 nan 8.150 nan 0.000 0.492 316 N N -0.396 118.283 118.700 -0.035 0.000 2.424 316 N HA 0.472 5.212 4.740 -0.000 0.000 0.271 316 N C 0.305 175.774 175.510 -0.069 0.000 0.985 316 N CA 0.847 53.853 53.050 -0.074 0.000 0.921 316 N CB 1.197 39.633 38.487 -0.084 0.000 1.149 316 N HN 1.341 nan 8.380 nan 0.000 0.492 317 G N 3.367 112.114 108.800 -0.090 0.000 2.295 317 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.287 317 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.287 317 G C -1.558 173.331 174.900 -0.018 0.000 1.055 317 G CA -0.264 44.800 45.100 -0.061 0.000 0.922 317 G HN 0.484 nan 8.290 nan 0.000 0.503 318 P HA -0.007 nan 4.420 nan 0.000 0.217 318 P C 1.405 178.719 177.300 0.024 0.000 1.150 318 P CA 2.090 65.197 63.100 0.012 0.000 0.832 318 P CB 0.120 31.828 31.700 0.012 0.000 0.787 319 T N -2.669 111.894 114.554 0.015 0.000 2.824 319 T HA 0.483 4.833 4.350 -0.000 0.000 0.280 319 T C 0.107 174.821 174.700 0.024 0.000 0.995 319 T CA -0.641 61.472 62.100 0.022 0.000 1.009 319 T CB 0.885 69.760 68.868 0.011 0.000 0.955 319 T HN -0.024 nan 8.240 nan 0.000 0.452 320 T N 1.746 116.325 114.554 0.041 0.000 2.882 320 T HA 0.400 4.750 4.350 -0.000 0.000 0.287 320 T C -1.736 172.980 174.700 0.027 0.000 1.014 320 T CA -1.714 60.410 62.100 0.040 0.000 1.049 320 T CB 0.627 69.533 68.868 0.063 0.000 1.001 320 T HN 0.311 nan 8.240 nan 0.000 0.525 321 P HA -0.223 nan 4.420 nan 0.000 0.217 321 P C 1.707 179.014 177.300 0.012 0.000 1.162 321 P CA 1.380 64.488 63.100 0.012 0.000 0.901 321 P CB 0.030 31.735 31.700 0.008 0.000 0.793 322 E N -0.070 120.141 120.200 0.018 0.000 2.058 322 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 322 E C 2.112 178.720 176.600 0.014 0.000 0.997 322 E CA 1.758 58.169 56.400 0.017 0.000 0.801 322 E CB -1.450 28.266 29.700 0.027 0.000 0.746 322 E HN 0.206 nan 8.360 nan 0.000 0.450 323 A N 2.066 124.897 122.820 0.018 0.000 1.940 323 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 323 A C 1.942 179.527 177.584 0.001 0.000 1.176 323 A CA 1.842 53.881 52.037 0.004 0.000 0.631 323 A CB -0.480 18.521 19.000 0.002 0.000 0.814 323 A HN 0.109 nan 8.150 nan 0.000 0.446 324 D N -0.290 120.115 120.400 0.007 0.000 2.087 324 D HA -0.161 4.479 4.640 -0.000 0.000 0.192 324 D C 1.981 178.283 176.300 0.003 0.000 0.993 324 D CA 1.595 55.599 54.000 0.006 0.000 0.828 324 D CB -0.362 40.443 40.800 0.009 0.000 0.968 324 D HN 0.616 nan 8.370 nan 0.000 0.448 325 E N 0.034 120.235 120.200 0.002 0.000 2.048 325 E HA -0.209 4.141 4.350 -0.000 0.000 0.202 325 E C 2.446 179.046 176.600 0.000 0.000 1.021 325 E CA 0.921 57.322 56.400 0.001 0.000 0.825 325 E CB -0.218 29.482 29.700 0.000 0.000 0.756 325 E HN 0.308 nan 8.360 nan 0.000 0.454 326 I N 1.021 121.591 120.570 -0.001 0.000 2.118 326 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 326 I C 2.506 178.620 176.117 -0.004 0.000 1.070 326 I CA 1.191 62.489 61.300 -0.004 0.000 1.327 326 I CB -0.288 37.707 38.000 -0.008 0.000 1.034 326 I HN 0.110 nan 8.210 nan 0.000 0.405 327 L N 0.233 121.454 121.223 -0.005 0.000 2.012 327 L HA -0.264 4.075 4.340 -0.000 0.000 0.210 327 L C 2.822 179.693 176.870 0.002 0.000 1.073 327 L CA 1.996 56.834 54.840 -0.003 0.000 0.748 327 L CB -0.671 41.387 42.059 -0.002 0.000 0.891 327 L HN 0.435 nan 8.230 nan 0.000 0.431 328 S N -0.713 114.989 115.700 0.003 0.000 2.368 328 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 328 S C 2.079 176.682 174.600 0.005 0.000 1.029 328 S CA 0.739 58.942 58.200 0.005 0.000 0.988 328 S CB -0.442 62.761 63.200 0.005 0.000 0.838 328 S HN 0.314 nan 8.310 nan 0.000 0.462 329 R N 1.456 121.958 120.500 0.003 0.000 2.096 329 R HA -0.002 4.338 4.340 -0.000 0.000 0.240 329 R C 2.439 178.741 176.300 0.003 0.000 1.139 329 R CA 1.648 57.749 56.100 0.002 0.000 0.952 329 R CB -0.212 30.088 30.300 0.001 0.000 0.854 329 R HN 0.473 nan 8.270 nan 0.000 0.436 330 R N -0.682 119.819 120.500 0.002 0.000 2.339 330 R HA 0.025 4.365 4.340 -0.000 0.000 0.199 330 R C 0.891 177.194 176.300 0.005 0.000 1.018 330 R CA 0.621 56.722 56.100 0.002 0.000 1.036 330 R CB 0.127 30.426 30.300 -0.001 0.000 0.899 330 R HN 0.452 nan 8.270 nan 0.000 0.473 331 G N 1.942 110.746 108.800 0.007 0.000 2.225 331 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 331 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 331 G C -0.023 174.885 174.900 0.013 0.000 1.060 331 G CA -0.181 44.925 45.100 0.010 0.000 0.833 331 G HN 0.286 nan 8.290 nan 0.000 0.498 332 I N 0.378 120.955 120.570 0.012 0.000 2.312 332 I HA 0.303 4.473 4.170 -0.000 0.000 0.290 332 I C 0.686 176.814 176.117 0.019 0.000 1.008 332 I CA -1.139 60.170 61.300 0.016 0.000 1.226 332 I CB 1.330 39.336 38.000 0.011 0.000 1.371 332 I HN 0.114 nan 8.210 nan 0.000 0.468 333 L N 8.762 130.002 121.223 0.028 0.000 2.513 333 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 333 L C -0.282 176.607 176.870 0.033 0.000 1.187 333 L CA 0.716 55.575 54.840 0.032 0.000 0.895 333 L CB 0.620 42.711 42.059 0.054 0.000 1.147 333 L HN 0.338 nan 8.230 nan 0.000 0.483 334 V N 6.676 126.603 119.914 0.021 0.000 2.327 334 V HA 0.208 4.328 4.120 -0.000 0.000 0.272 334 V C -0.218 175.884 176.094 0.014 0.000 1.019 334 V CA -0.786 61.526 62.300 0.021 0.000 0.814 334 V CB 1.426 33.257 31.823 0.014 0.000 1.040 334 V HN 0.505 nan 8.190 nan 0.000 0.440 335 V N 8.581 128.516 119.914 0.035 0.000 2.450 335 V HA 0.130 4.250 4.120 -0.000 0.000 0.281 335 V C -1.503 174.599 176.094 0.015 0.000 1.019 335 V CA -0.960 61.359 62.300 0.031 0.000 1.062 335 V CB 0.623 32.517 31.823 0.119 0.000 0.979 335 V HN 0.640 nan 8.190 nan 0.000 0.477 336 P HA 0.102 nan 4.420 nan 0.000 0.269 336 P C 0.122 177.405 177.300 -0.028 0.000 1.215 336 P CA -0.258 62.830 63.100 -0.020 0.000 0.780 336 P CB 0.838 32.515 31.700 -0.038 0.000 0.898 337 D N 2.932 123.308 120.400 -0.041 0.000 2.084 337 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 337 D C 1.782 178.046 176.300 -0.060 0.000 0.990 337 D CA 1.431 55.400 54.000 -0.050 0.000 0.826 337 D CB -1.452 39.300 40.800 -0.082 0.000 0.971 337 D HN 0.528 nan 8.370 nan 0.000 0.453 338 I N -1.584 118.929 120.570 -0.095 0.000 2.367 338 I HA -0.243 3.927 4.170 -0.000 0.000 0.256 338 I C 2.346 178.432 176.117 -0.051 0.000 1.132 338 I CA 1.354 62.606 61.300 -0.080 0.000 1.397 338 I CB -0.445 37.469 38.000 -0.143 0.000 1.074 338 I HN 0.063 nan 8.210 nan 0.000 0.435 339 L N 1.083 122.276 121.223 -0.050 0.000 2.262 339 L HA 0.352 4.692 4.340 -0.000 0.000 0.197 339 L C 2.681 179.566 176.870 0.026 0.000 1.073 339 L CA 1.480 56.313 54.840 -0.012 0.000 0.800 339 L CB -0.548 41.497 42.059 -0.022 0.000 0.987 339 L HN 0.110 nan 8.230 nan 0.000 0.470 340 A N 1.045 123.884 122.820 0.030 0.000 1.873 340 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 340 A C 1.572 179.175 177.584 0.031 0.000 1.193 340 A CA 1.993 54.060 52.037 0.050 0.000 0.629 340 A CB -1.133 17.895 19.000 0.047 0.000 0.826 340 A HN 0.730 nan 8.150 nan 0.000 0.447 341 N N -0.329 118.377 118.700 0.009 0.000 2.558 341 N HA 0.441 5.181 4.740 -0.000 0.000 0.281 341 N C 0.210 175.717 175.510 -0.005 0.000 1.219 341 N CA 0.557 53.608 53.050 0.002 0.000 0.942 341 N CB 0.238 38.722 38.487 -0.004 0.000 1.241 341 N HN 0.277 nan 8.380 nan 0.000 0.511 342 A N -0.994 121.827 122.820 0.001 0.000 2.348 342 A HA 0.417 4.737 4.320 -0.000 0.000 0.224 342 A C 1.873 179.449 177.584 -0.012 0.000 1.227 342 A CA 0.174 52.208 52.037 -0.005 0.000 0.885 342 A CB -0.388 18.613 19.000 0.002 0.000 0.933 342 A HN 0.391 nan 8.150 nan 0.000 0.506 343 G N 0.282 109.078 108.800 -0.008 0.000 2.462 343 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.220 343 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.220 343 G C 1.350 176.224 174.900 -0.043 0.000 1.121 343 G CA 1.280 46.371 45.100 -0.016 0.000 0.758 343 G HN 0.586 nan 8.290 nan 0.000 0.559 344 G N 0.673 109.448 108.800 -0.042 0.000 2.454 344 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.214 344 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.214 344 G C 1.776 176.640 174.900 -0.059 0.000 1.217 344 G CA 1.309 46.377 45.100 -0.052 0.000 0.799 344 G HN 0.292 nan 8.290 nan 0.000 0.538 345 V N 1.267 121.152 119.914 -0.047 0.000 2.370 345 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 345 V C 3.079 179.154 176.094 -0.032 0.000 1.068 345 V CA 2.401 64.678 62.300 -0.039 0.000 1.061 345 V CB -1.271 30.538 31.823 -0.023 0.000 0.656 345 V HN 0.383 nan 8.190 nan 0.000 0.455 346 T N -0.057 114.444 114.554 -0.089 0.000 2.674 346 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 346 T C 1.914 176.300 174.700 -0.523 0.000 1.039 346 T CA 1.708 63.672 62.100 -0.227 0.000 1.150 346 T CB -0.285 68.464 68.868 -0.198 0.000 0.864 346 T HN 0.308 nan 8.240 nan 0.000 0.427 347 V N 1.409 121.121 119.914 -0.338 0.000 2.913 347 V HA -0.103 4.017 4.120 -0.000 0.000 0.260 347 V C 2.601 178.627 176.094 -0.113 0.000 1.098 347 V CA 1.580 63.733 62.300 -0.245 0.000 1.121 347 V CB -0.503 31.301 31.823 -0.032 0.000 0.714 347 V HN 0.486 nan 8.190 nan 0.000 0.487 348 S N -0.921 114.741 115.700 -0.064 0.000 2.406 348 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 348 S C 1.979 176.689 174.600 0.184 0.000 1.020 348 S CA 1.261 59.476 58.200 0.025 0.000 0.965 348 S CB -0.316 62.869 63.200 -0.025 0.000 0.798 348 S HN 0.713 nan 8.310 nan 0.000 0.488 349 Y N 1.863 122.224 120.300 0.103 0.000 2.145 349 Y HA -0.083 4.467 4.550 -0.000 0.000 0.286 349 Y C 1.606 177.732 175.900 0.376 0.000 1.145 349 Y CA 1.535 59.871 58.100 0.394 0.000 1.148 349 Y CB -1.033 37.527 38.460 0.166 0.000 0.981 349 Y HN 0.287 nan 8.280 nan 0.000 0.507 350 F N 1.290 121.170 119.950 -0.116 0.000 2.091 350 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 350 F C 2.677 178.235 175.800 -0.404 0.000 1.103 350 F CA 1.557 59.288 58.000 -0.449 0.000 1.228 350 F CB -1.487 37.289 39.000 -0.373 0.000 0.984 350 F HN 0.271 nan 8.300 nan 0.000 0.477 351 E N -0.771 119.446 120.200 0.029 0.000 2.058 351 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 351 E C 2.272 178.926 176.600 0.090 0.000 0.997 351 E CA 1.729 58.143 56.400 0.023 0.000 0.801 351 E CB -0.560 29.180 29.700 0.067 0.000 0.746 351 E HN 0.446 nan 8.360 nan 0.000 0.450 352 W N 0.672 121.973 121.300 0.002 0.000 2.358 352 W HA -0.199 4.461 4.660 -0.000 0.000 0.303 352 W C 2.008 178.516 176.519 -0.018 0.000 1.208 352 W CA 1.544 58.921 57.345 0.053 0.000 1.274 352 W CB -0.590 29.021 29.460 0.253 0.000 1.138 352 W HN -0.065 nan 8.180 nan 0.000 0.515 353 V N 0.797 120.680 119.914 -0.052 0.000 2.233 353 V HA -0.391 3.729 4.120 -0.000 0.000 0.247 353 V C 2.390 178.299 176.094 -0.310 0.000 1.050 353 V CA 2.578 64.716 62.300 -0.270 0.000 1.010 353 V CB -1.198 30.477 31.823 -0.247 0.000 0.637 353 V HN 0.212 nan 8.190 nan 0.000 0.444 354 Q N -0.572 118.976 119.800 -0.419 0.000 2.173 354 Q HA -0.287 4.053 4.340 -0.000 0.000 0.208 354 Q C 1.987 177.671 176.000 -0.525 0.000 0.989 354 Q CA 2.212 57.688 55.803 -0.544 0.000 0.872 354 Q CB -0.229 28.115 28.738 -0.657 0.000 0.909 354 Q HN 0.666 nan 8.270 nan 0.000 0.420 355 D N 0.019 120.233 120.400 -0.310 0.000 2.097 355 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 355 D C 1.872 178.031 176.300 -0.234 0.000 0.984 355 D CA 0.815 54.697 54.000 -0.196 0.000 0.826 355 D CB -0.233 40.544 40.800 -0.039 0.000 0.973 355 D HN 0.230 nan 8.370 nan 0.000 0.460 356 L N 0.647 121.664 121.223 -0.344 0.000 2.081 356 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 356 L C 2.040 178.806 176.870 -0.173 0.000 1.080 356 L CA 1.374 56.030 54.840 -0.307 0.000 0.754 356 L CB -0.443 41.341 42.059 -0.457 0.000 0.893 356 L HN 0.223 nan 8.230 nan 0.000 0.433 357 Q N -1.582 118.113 119.800 -0.175 0.000 2.204 357 Q HA 0.123 4.463 4.340 -0.000 0.000 0.209 357 Q C 0.615 176.555 176.000 -0.100 0.000 0.861 357 Q CA 0.118 55.859 55.803 -0.103 0.000 0.971 357 Q CB 0.619 29.322 28.738 -0.059 0.000 1.095 357 Q HN 0.118 nan 8.270 nan 0.000 0.486 358 S N 0.368 115.956 115.700 -0.187 0.000 3.365 358 S HA -0.212 4.258 4.470 -0.000 0.000 0.377 358 S C -0.678 173.764 174.600 -0.262 0.000 1.043 358 S CA 0.815 58.885 58.200 -0.218 0.000 1.101 358 S CB -1.153 62.042 63.200 -0.010 0.000 0.900 358 S HN 0.632 nan 8.310 nan 0.000 0.480 359 F N 1.131 120.719 119.950 -0.605 0.000 2.499 359 F HA 0.613 5.140 4.527 -0.000 0.000 0.333 359 F C -0.631 174.841 175.800 -0.547 0.000 1.138 359 F CA -1.390 56.379 58.000 -0.385 0.000 0.945 359 F CB 0.802 39.733 39.000 -0.115 0.000 1.181 359 F HN -0.006 nan 8.300 nan 0.000 0.435 360 F N 4.909 124.660 119.950 -0.331 0.000 2.408 360 F HA 0.372 4.899 4.527 -0.000 0.000 0.344 360 F C -0.468 175.260 175.800 -0.119 0.000 1.112 360 F CA -0.845 57.009 58.000 -0.243 0.000 1.096 360 F CB 0.600 39.472 39.000 -0.214 0.000 1.129 360 F HN 0.290 nan 8.300 nan 0.000 0.486 361 W N 1.745 123.014 121.300 -0.052 0.000 2.215 361 W HA 0.308 4.968 4.660 0.000 0.000 0.342 361 W C -0.134 176.363 176.519 -0.036 0.000 1.237 361 W CA -1.472 55.831 57.345 -0.069 0.000 1.283 361 W CB -0.022 29.397 29.460 -0.068 0.000 1.131 361 W HN 0.462 nan 8.180 nan 0.000 0.606 362 D N -0.432 120.086 120.400 0.198 0.000 2.340 362 D HA 0.242 4.882 4.640 -0.000 0.000 0.251 362 D C 1.042 177.409 176.300 0.112 0.000 1.080 362 D CA -0.720 53.342 54.000 0.104 0.000 0.971 362 D CB 0.773 41.605 40.800 0.052 0.000 1.137 362 D HN 0.059 nan 8.370 nan 0.000 0.475 363 L N 1.029 122.294 121.223 0.071 0.000 2.017 363 L HA -0.326 4.014 4.340 -0.000 0.000 0.234 363 L C 1.301 178.215 176.870 0.073 0.000 1.097 363 L CA 2.356 57.235 54.840 0.065 0.000 0.816 363 L CB -1.134 40.948 42.059 0.037 0.000 0.914 363 L HN 0.623 nan 8.230 nan 0.000 0.444 364 D N -1.571 118.860 120.400 0.051 0.000 2.170 364 D HA -0.270 4.370 4.640 -0.000 0.000 0.193 364 D C 2.171 178.495 176.300 0.040 0.000 1.004 364 D CA 1.768 55.791 54.000 0.039 0.000 0.860 364 D CB -0.095 40.717 40.800 0.021 0.000 0.931 364 D HN 0.573 nan 8.370 nan 0.000 0.448 365 Q N -0.102 119.728 119.800 0.051 0.000 1.990 365 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 365 Q C 2.457 178.518 176.000 0.103 0.000 0.980 365 Q CA 1.150 56.965 55.803 0.020 0.000 0.832 365 Q CB -0.167 28.577 28.738 0.010 0.000 0.897 365 Q HN 0.212 nan 8.270 nan 0.000 0.427 366 V N 1.584 121.636 119.914 0.230 0.000 2.317 366 V HA -0.332 3.788 4.120 -0.000 0.000 0.251 366 V C 2.259 178.494 176.094 0.236 0.000 1.065 366 V CA 2.022 64.485 62.300 0.271 0.000 1.049 366 V CB -0.759 31.205 31.823 0.235 0.000 0.651 366 V HN 0.328 nan 8.190 nan 0.000 0.450 367 R N 0.345 120.934 120.500 0.148 0.000 2.075 367 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 367 R C 2.228 178.599 176.300 0.119 0.000 1.140 367 R CA 2.022 58.194 56.100 0.120 0.000 0.928 367 R CB -0.767 29.577 30.300 0.072 0.000 0.834 367 R HN 0.568 nan 8.270 nan 0.000 0.429 368 N N 0.631 119.375 118.700 0.073 0.000 2.061 368 N HA -0.219 4.521 4.740 -0.000 0.000 0.193 368 N C 1.859 177.415 175.510 0.076 0.000 1.030 368 N CA 1.708 54.787 53.050 0.048 0.000 0.856 368 N CB -0.230 38.256 38.487 -0.002 0.000 1.023 368 N HN 0.280 nan 8.380 nan 0.000 0.424 369 A N 0.843 123.699 122.820 0.060 0.000 1.865 369 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 369 A C 2.151 179.977 177.584 0.402 0.000 1.191 369 A CA 1.312 53.402 52.037 0.088 0.000 0.623 369 A CB -1.001 17.786 19.000 -0.355 0.000 0.826 369 A HN 0.302 nan 8.150 nan 0.000 0.444 370 L N 0.249 121.789 121.223 0.527 0.000 1.971 370 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 370 L C 2.351 179.361 176.870 0.233 0.000 1.072 370 L CA 2.716 57.811 54.840 0.426 0.000 0.758 370 L CB -0.779 41.463 42.059 0.306 0.000 0.889 370 L HN 0.541 nan 8.230 nan 0.000 0.433 371 E N -0.386 119.912 120.200 0.163 0.000 2.085 371 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 371 E C 2.200 178.860 176.600 0.100 0.000 0.994 371 E CA 1.485 57.946 56.400 0.102 0.000 0.801 371 E CB -0.264 29.476 29.700 0.067 0.000 0.743 371 E HN 0.540 nan 8.360 nan 0.000 0.453 372 K N 0.719 121.190 120.400 0.117 0.000 2.009 372 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 372 K C 2.252 178.926 176.600 0.125 0.000 1.049 372 K CA 1.528 57.877 56.287 0.103 0.000 0.929 372 K CB -0.016 32.542 32.500 0.097 0.000 0.714 372 K HN 0.067 nan 8.250 nan 0.000 0.440 373 M N -0.223 119.484 119.600 0.179 0.000 2.229 373 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 373 M C 2.261 178.639 176.300 0.131 0.000 1.063 373 M CA 0.980 56.382 55.300 0.170 0.000 1.114 373 M CB -0.240 32.499 32.600 0.232 0.000 1.387 373 M HN 0.206 nan 8.290 nan 0.000 0.420 374 M N 0.704 120.379 119.600 0.125 0.000 2.067 374 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 374 M C 2.055 178.429 176.300 0.124 0.000 1.069 374 M CA 1.798 57.164 55.300 0.111 0.000 1.117 374 M CB -0.988 31.664 32.600 0.087 0.000 1.334 374 M HN 0.202 nan 8.290 nan 0.000 0.407 375 K N -0.509 119.942 120.400 0.085 0.000 2.044 375 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 375 K C 1.964 178.644 176.600 0.132 0.000 1.049 375 K CA 1.548 57.873 56.287 0.065 0.000 0.927 375 K CB -0.577 31.941 32.500 0.030 0.000 0.713 375 K HN 0.481 nan 8.250 nan 0.000 0.443 376 G N 1.053 109.922 108.800 0.115 0.000 2.552 376 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 376 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 376 G C 1.605 176.579 174.900 0.124 0.000 1.240 376 G CA 1.368 46.533 45.100 0.109 0.000 0.796 376 G HN 0.395 nan 8.290 nan 0.000 0.568 377 A N 0.386 123.273 122.820 0.113 0.000 1.896 377 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 377 A C 2.233 179.882 177.584 0.109 0.000 1.206 377 A CA 2.176 54.266 52.037 0.088 0.000 0.647 377 A CB -0.862 18.185 19.000 0.078 0.000 0.828 377 A HN 0.491 nan 8.150 nan 0.000 0.455 378 F N 1.346 121.305 119.950 0.015 0.000 2.043 378 F HA -0.303 4.224 4.527 -0.000 0.000 0.297 378 F C 2.219 178.027 175.800 0.014 0.000 1.118 378 F CA 2.497 60.504 58.000 0.013 0.000 1.202 378 F CB -0.301 38.710 39.000 0.018 0.000 0.965 378 F HN 0.265 nan 8.300 nan 0.000 0.482 379 N N 0.632 119.520 118.700 0.315 0.000 2.084 379 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 379 N C 1.476 177.020 175.510 0.057 0.000 1.030 379 N CA 1.666 54.827 53.050 0.186 0.000 0.849 379 N CB -0.860 37.729 38.487 0.169 0.000 1.012 379 N HN 0.337 nan 8.380 nan 0.000 0.423 380 D N 0.484 120.913 120.400 0.048 0.000 2.133 380 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 380 D C 2.063 178.350 176.300 -0.022 0.000 0.997 380 D CA 0.603 54.612 54.000 0.015 0.000 0.840 380 D CB -0.330 40.480 40.800 0.017 0.000 0.947 380 D HN 0.051 nan 8.370 nan 0.000 0.452 381 V N 0.772 120.646 119.914 -0.066 0.000 2.307 381 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 381 V C 2.468 178.483 176.094 -0.132 0.000 1.045 381 V CA 1.075 63.302 62.300 -0.121 0.000 1.024 381 V CB -0.330 31.375 31.823 -0.197 0.000 0.651 381 V HN 0.174 nan 8.190 nan 0.000 0.449 382 M N 0.024 119.520 119.600 -0.173 0.000 2.089 382 M HA -0.234 4.245 4.480 -0.000 0.000 0.257 382 M C 2.131 178.411 176.300 -0.034 0.000 1.071 382 M CA 1.902 57.127 55.300 -0.126 0.000 1.096 382 M CB -1.133 31.426 32.600 -0.068 0.000 1.330 382 M HN 0.346 nan 8.290 nan 0.000 0.403 383 K N -0.735 119.663 120.400 -0.004 0.000 1.991 383 K HA -0.138 4.182 4.320 -0.000 0.000 0.212 383 K C 1.895 178.524 176.600 0.048 0.000 1.049 383 K CA 1.594 57.896 56.287 0.025 0.000 0.932 383 K CB -0.567 31.951 32.500 0.029 0.000 0.717 383 K HN 0.152 nan 8.250 nan 0.000 0.441 384 V N 2.212 122.153 119.914 0.045 0.000 2.453 384 V HA -0.303 3.817 4.120 -0.000 0.000 0.252 384 V C 2.379 178.546 176.094 0.123 0.000 1.068 384 V CA 1.831 64.190 62.300 0.098 0.000 1.070 384 V CB -0.532 31.288 31.823 -0.006 0.000 0.664 384 V HN 0.380 nan 8.190 nan 0.000 0.461 385 K N 0.353 120.774 120.400 0.036 0.000 2.026 385 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 385 K C 2.097 178.742 176.600 0.075 0.000 1.048 385 K CA 1.931 58.236 56.287 0.030 0.000 0.929 385 K CB -0.142 32.342 32.500 -0.026 0.000 0.713 385 K HN 0.638 nan 8.250 nan 0.000 0.439 386 E N 0.580 120.816 120.200 0.059 0.000 2.107 386 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 386 E C 1.928 178.561 176.600 0.055 0.000 0.982 386 E CA 0.888 57.317 56.400 0.048 0.000 0.809 386 E CB -0.091 29.627 29.700 0.030 0.000 0.756 386 E HN 0.306 nan 8.360 nan 0.000 0.459 387 K N 0.084 120.537 120.400 0.089 0.000 2.442 387 K HA -0.138 4.182 4.320 -0.000 0.000 0.198 387 K C 0.635 177.172 176.600 -0.106 0.000 1.044 387 K CA 1.108 57.405 56.287 0.017 0.000 0.948 387 K CB 0.109 32.657 32.500 0.081 0.000 0.762 387 K HN 0.185 nan 8.250 nan 0.000 0.472 388 Y N -1.618 118.673 120.300 -0.016 0.000 2.540 388 Y HA 0.177 4.727 4.550 -0.000 0.000 0.257 388 Y C -0.056 175.834 175.900 -0.016 0.000 1.090 388 Y CA -0.569 57.521 58.100 -0.017 0.000 1.242 388 Y CB 0.638 39.085 38.460 -0.021 0.000 1.325 388 Y HN 0.033 nan 8.280 nan 0.000 0.544 389 N N 1.154 119.928 118.700 0.123 0.000 2.725 389 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 389 N C -0.851 174.698 175.510 0.065 0.000 1.031 389 N CA 0.886 53.976 53.050 0.066 0.000 0.720 389 N CB -0.923 37.585 38.487 0.036 0.000 0.930 389 N HN 0.234 nan 8.380 nan 0.000 0.543 390 V N -3.153 116.803 119.914 0.070 0.000 3.204 390 V HA 0.683 4.803 4.120 -0.000 0.000 0.316 390 V C 0.526 176.628 176.094 0.014 0.000 1.160 390 V CA -0.738 61.584 62.300 0.037 0.000 1.044 390 V CB 1.585 33.422 31.823 0.023 0.000 1.136 390 V HN 0.273 nan 8.190 nan 0.000 0.455 391 D N -0.162 120.241 120.400 0.004 0.000 2.313 391 D HA 0.136 4.776 4.640 -0.000 0.000 0.247 391 D C 1.015 177.307 176.300 -0.013 0.000 1.094 391 D CA -0.584 53.416 54.000 -0.001 0.000 0.925 391 D CB 1.608 42.411 40.800 0.005 0.000 1.188 391 D HN 0.645 nan 8.370 nan 0.000 0.430 392 M N 0.712 120.293 119.600 -0.031 0.000 2.143 392 M HA -0.236 4.244 4.480 -0.000 0.000 0.258 392 M C 2.290 178.566 176.300 -0.040 0.000 1.071 392 M CA 1.621 56.881 55.300 -0.067 0.000 1.088 392 M CB -0.021 32.516 32.600 -0.105 0.000 1.360 392 M HN 0.515 nan 8.290 nan 0.000 0.404 393 R N -0.911 119.599 120.500 0.016 0.000 2.083 393 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 393 R C 1.815 178.244 176.300 0.216 0.000 1.137 393 R CA 2.265 58.428 56.100 0.104 0.000 0.951 393 R CB -0.430 29.965 30.300 0.160 0.000 0.851 393 R HN 0.356 nan 8.270 nan 0.000 0.434 394 T N 0.648 115.283 114.554 0.135 0.000 2.746 394 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 394 T C 1.823 176.530 174.700 0.011 0.000 1.039 394 T CA 1.293 63.454 62.100 0.102 0.000 1.142 394 T CB -0.334 68.528 68.868 -0.009 0.000 0.866 394 T HN 0.459 nan 8.240 nan 0.000 0.444 395 A N 1.613 124.403 122.820 -0.051 0.000 1.917 395 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 395 A C 2.653 180.169 177.584 -0.114 0.000 1.182 395 A CA 2.052 54.021 52.037 -0.114 0.000 0.633 395 A CB -1.178 17.767 19.000 -0.092 0.000 0.819 395 A HN 0.526 nan 8.150 nan 0.000 0.448 396 A N -1.502 121.252 122.820 -0.109 0.000 1.902 396 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 396 A C 2.086 179.545 177.584 -0.209 0.000 1.181 396 A CA 1.601 53.531 52.037 -0.178 0.000 0.623 396 A CB -0.819 18.027 19.000 -0.256 0.000 0.818 396 A HN 0.593 nan 8.150 nan 0.000 0.443 397 Y N -0.370 119.888 120.300 -0.070 0.000 2.293 397 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 397 Y C 2.179 177.963 175.900 -0.194 0.000 1.137 397 Y CA 1.246 59.276 58.100 -0.118 0.000 1.202 397 Y CB -0.367 38.011 38.460 -0.138 0.000 0.990 397 Y HN 0.227 nan 8.280 nan 0.000 0.537 398 I N -1.002 119.517 120.570 -0.084 0.000 2.133 398 I HA -0.298 3.872 4.170 -0.000 0.000 0.238 398 I C 2.340 178.388 176.117 -0.116 0.000 1.074 398 I CA 0.931 62.116 61.300 -0.192 0.000 1.342 398 I CB -0.443 37.317 38.000 -0.399 0.000 1.053 398 I HN 0.188 nan 8.210 nan 0.000 0.404 399 L N 1.199 122.364 121.223 -0.097 0.000 2.051 399 L HA -0.246 4.094 4.340 -0.000 0.000 0.214 399 L C 2.460 179.340 176.870 0.018 0.000 1.076 399 L CA 2.334 57.150 54.840 -0.040 0.000 0.758 399 L CB -1.064 40.968 42.059 -0.045 0.000 0.890 399 L HN 0.246 nan 8.230 nan 0.000 0.433 400 A N -0.289 122.554 122.820 0.038 0.000 1.841 400 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 400 A C 2.282 180.018 177.584 0.253 0.000 1.195 400 A CA 2.015 54.156 52.037 0.174 0.000 0.611 400 A CB -0.930 18.227 19.000 0.261 0.000 0.835 400 A HN 0.496 nan 8.150 nan 0.000 0.443 401 I N -0.148 120.482 120.570 0.099 0.000 2.335 401 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 401 I C 2.211 178.416 176.117 0.147 0.000 1.129 401 I CA 1.685 63.039 61.300 0.090 0.000 1.402 401 I CB -0.391 37.529 38.000 -0.134 0.000 1.069 401 I HN 0.370 nan 8.210 nan 0.000 0.424 402 D N 1.067 121.519 120.400 0.087 0.000 2.077 402 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 402 D C 2.346 178.734 176.300 0.148 0.000 0.989 402 D CA 1.549 55.608 54.000 0.098 0.000 0.831 402 D CB -0.006 40.826 40.800 0.055 0.000 0.979 402 D HN 0.127 nan 8.370 nan 0.000 0.449 403 R N -0.160 120.417 120.500 0.128 0.000 2.103 403 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 403 R C 2.419 178.828 176.300 0.181 0.000 1.142 403 R CA 1.303 57.482 56.100 0.131 0.000 0.960 403 R CB -0.565 29.788 30.300 0.088 0.000 0.858 403 R HN 0.191 nan 8.270 nan 0.000 0.439 404 V N 0.932 120.973 119.914 0.211 0.000 2.427 404 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 404 V C 2.454 178.657 176.094 0.182 0.000 1.051 404 V CA 1.818 64.236 62.300 0.196 0.000 1.048 404 V CB -0.675 31.322 31.823 0.290 0.000 0.666 404 V HN 0.397 nan 8.190 nan 0.000 0.456 405 A N -0.613 122.331 122.820 0.206 0.000 1.855 405 A HA -0.238 4.082 4.320 -0.000 0.000 0.215 405 A C 2.171 179.841 177.584 0.144 0.000 1.191 405 A CA 1.882 54.018 52.037 0.165 0.000 0.613 405 A CB -0.847 18.250 19.000 0.161 0.000 0.829 405 A HN 0.577 nan 8.150 nan 0.000 0.442 406 Y N 0.773 121.111 120.300 0.063 0.000 2.114 406 Y HA -0.238 4.312 4.550 -0.000 0.000 0.282 406 Y C 2.677 178.600 175.900 0.038 0.000 1.165 406 Y CA 1.824 59.952 58.100 0.046 0.000 1.148 406 Y CB -0.468 38.019 38.460 0.043 0.000 0.972 406 Y HN 0.319 nan 8.280 nan 0.000 0.504 407 A N -0.927 122.011 122.820 0.197 0.000 1.902 407 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 407 A C 2.230 179.815 177.584 0.000 0.000 1.181 407 A CA 2.270 54.365 52.037 0.097 0.000 0.623 407 A CB -1.361 17.708 19.000 0.116 0.000 0.818 407 A HN 0.512 nan 8.150 nan 0.000 0.443 408 T N -0.339 114.227 114.554 0.020 0.000 2.788 408 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 408 T C 1.968 176.645 174.700 -0.038 0.000 1.044 408 T CA 1.756 63.855 62.100 -0.002 0.000 1.139 408 T CB -0.136 68.748 68.868 0.027 0.000 0.867 408 T HN 0.513 nan 8.240 nan 0.000 0.454 409 K N 0.503 120.858 120.400 -0.076 0.000 2.007 409 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 409 K C 2.433 178.931 176.600 -0.171 0.000 1.047 409 K CA 0.801 57.016 56.287 -0.121 0.000 0.937 409 K CB 0.012 32.418 32.500 -0.158 0.000 0.718 409 K HN -0.045 nan 8.250 nan 0.000 0.438 410 K N 1.235 121.466 120.400 -0.281 0.000 2.160 410 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 410 K C 1.053 177.585 176.600 -0.113 0.000 1.047 410 K CA 1.177 57.319 56.287 -0.242 0.000 0.930 410 K CB -0.274 32.052 32.500 -0.290 0.000 0.720 410 K HN 0.183 nan 8.250 nan 0.000 0.450 411 R N 0.000 120.452 120.500 -0.080 0.000 2.786 411 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 411 R CA 0.000 56.074 56.100 -0.044 0.000 0.921 411 R CB 0.000 30.283 30.300 -0.029 0.000 0.687 411 R HN 0.000 nan 8.270 nan 0.000 0.535