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 1rvu_1_A DATA FIRST_RESID 15 DATA SEQUENCE WSSHEQMLAQ PLKDSDAEVY DIIKKESNRQ RVGLELIASE NFASRAVLEA DATA SEQUENCE LGSCLNNKYS QGYPGQRYYG GTEHIDELET LCQKRALQAY GLDPQCWGVN DATA SEQUENCE VQPYSGSPAN FAVYTALVEP HGRIMGLDLP DGGHLTHGFM TDKKKISATS DATA SEQUENCE IFFESMAYKV NPDTGYIDYD RLEENARLFH PKLIIAGTSC YSRNLDYGRL DATA SEQUENCE RKIADENGAY LMADMAHISG LVVAGVVPSP FEHCHVVTTT THKTLRGCRA DATA SEQUENCE GMIFYRRGVR SXXXXXXXEI LYNLESLINS AVFPGLQGGP HNHAIAGVAV DATA SEQUENCE ALKQAMTPEF KEYQRQVVAN CRALSAALVE LGYKIVTGGS DNHLILVDLR DATA SEQUENCE SKGTDGGRAE KVLEACSIAC NKNTCPGDKS ALRPSGLRLG TPALTSRGLL DATA SEQUENCE EKDFQKVAHF IHRGIELTVQ IQDDTGPRAT LKEFKEKLAG DEKHQRAVRA DATA SEQUENCE LRQEVESFAA LFPLPGLPGF 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 15 W HA 0.000 nan 4.660 nan 0.000 0.303 15 W C 0.000 176.553 176.519 0.056 0.000 1.175 15 W CA 0.000 57.358 57.345 0.022 0.000 1.226 15 W CB 0.000 29.486 29.460 0.044 0.000 1.126 16 S N 1.232 117.296 115.700 0.606 0.000 2.377 16 S HA -0.246 4.224 4.470 0.000 0.000 0.224 16 S C 1.810 176.406 174.600 -0.005 0.000 1.042 16 S CA 2.876 61.201 58.200 0.208 0.000 1.086 16 S CB -0.596 62.724 63.200 0.200 0.000 0.995 16 S HN 0.580 nan 8.310 nan 0.000 0.428 17 S N 0.934 116.474 115.700 -0.267 0.000 2.461 17 S HA -0.065 4.405 4.470 0.000 0.000 0.228 17 S C 1.741 176.229 174.600 -0.186 0.000 1.005 17 S CA 0.731 58.763 58.200 -0.279 0.000 0.942 17 S CB -0.701 62.228 63.200 -0.452 0.000 0.776 17 S HN 0.630 nan 8.310 nan 0.000 0.514 18 H N 1.969 120.925 119.070 -0.190 0.000 2.319 18 H HA -0.100 4.456 4.556 0.000 0.000 0.299 18 H C 2.135 177.448 175.328 -0.026 0.000 1.092 18 H CA 2.164 58.177 56.048 -0.058 0.000 1.302 18 H CB -0.423 29.393 29.762 0.090 0.000 1.373 18 H HN 0.704 nan 8.280 nan 0.000 0.497 19 E N 0.432 120.725 120.200 0.156 0.000 2.058 19 E HA -0.224 4.126 4.350 0.000 0.000 0.194 19 E C 2.345 178.931 176.600 -0.024 0.000 0.997 19 E CA 1.748 58.202 56.400 0.091 0.000 0.801 19 E CB -0.002 29.754 29.700 0.093 0.000 0.746 19 E HN 0.746 nan 8.360 nan 0.000 0.450 20 Q N 0.082 119.855 119.800 -0.046 0.000 2.167 20 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 20 Q C 2.301 178.239 176.000 -0.104 0.000 0.970 20 Q CA 1.390 57.152 55.803 -0.068 0.000 0.855 20 Q CB -0.513 28.184 28.738 -0.068 0.000 0.911 20 Q HN 0.380 nan 8.270 nan 0.000 0.438 21 M N 1.088 120.595 119.600 -0.155 0.000 2.149 21 M HA -0.126 4.354 4.480 0.000 0.000 0.261 21 M C 1.665 177.869 176.300 -0.159 0.000 1.064 21 M CA 1.450 56.644 55.300 -0.177 0.000 1.102 21 M CB 0.098 32.548 32.600 -0.250 0.000 1.369 21 M HN 0.232 nan 8.290 nan 0.000 0.408 22 L N -0.557 120.563 121.223 -0.171 0.000 2.492 22 L HA 0.049 4.389 4.340 0.000 0.000 0.223 22 L C 2.131 178.959 176.870 -0.070 0.000 1.132 22 L CA 0.439 55.208 54.840 -0.118 0.000 0.850 22 L CB -0.530 41.467 42.059 -0.104 0.000 0.966 22 L HN 0.367 nan 8.230 nan 0.000 0.454 23 A N -1.222 121.559 122.820 -0.064 0.000 2.288 23 A HA 0.053 4.373 4.320 0.000 0.000 0.216 23 A C 1.054 178.609 177.584 -0.048 0.000 1.199 23 A CA -0.210 51.801 52.037 -0.044 0.000 0.891 23 A CB 0.068 19.048 19.000 -0.033 0.000 0.923 23 A HN 0.309 nan 8.150 nan 0.000 0.500 24 Q N 1.080 120.843 119.800 -0.062 0.000 2.361 24 Q HA 0.248 4.588 4.340 0.000 0.000 0.276 24 Q C -2.393 173.574 176.000 -0.056 0.000 1.022 24 Q CA -1.341 54.424 55.803 -0.063 0.000 0.898 24 Q CB 0.461 29.153 28.738 -0.077 0.000 1.246 24 Q HN 0.196 nan 8.270 nan 0.000 0.410 25 P HA -0.019 nan 4.420 nan 0.000 0.274 25 P C 0.047 177.312 177.300 -0.059 0.000 1.237 25 P CA -0.448 62.621 63.100 -0.052 0.000 0.793 25 P CB 0.610 32.269 31.700 -0.067 0.000 0.977 26 L N 2.806 124.016 121.223 -0.022 0.000 2.042 26 L HA -0.170 4.170 4.340 0.000 0.000 0.210 26 L C 2.077 178.901 176.870 -0.076 0.000 1.076 26 L CA 1.971 56.816 54.840 0.009 0.000 0.749 26 L CB -0.947 41.183 42.059 0.118 0.000 0.893 26 L HN 0.319 nan 8.230 nan 0.000 0.432 27 K N -0.854 119.382 120.400 -0.273 0.000 2.113 27 K HA -0.207 4.113 4.320 0.000 0.000 0.208 27 K C 1.492 177.878 176.600 -0.357 0.000 1.047 27 K CA 1.984 57.847 56.287 -0.708 0.000 0.928 27 K CB -0.118 31.836 32.500 -0.910 0.000 0.716 27 K HN 0.505 nan 8.250 nan 0.000 0.446 28 D N -0.747 119.525 120.400 -0.212 0.000 2.262 28 D HA -0.067 4.573 4.640 0.000 0.000 0.212 28 D C 1.884 178.127 176.300 -0.095 0.000 0.964 28 D CA 0.603 54.521 54.000 -0.137 0.000 0.875 28 D CB -0.057 40.675 40.800 -0.112 0.000 0.996 28 D HN 0.131 nan 8.370 nan 0.000 0.497 29 S N -0.124 115.526 115.700 -0.083 0.000 2.355 29 S HA -0.136 4.334 4.470 0.000 0.000 0.222 29 S C 0.601 175.176 174.600 -0.042 0.000 1.031 29 S CA 1.020 59.182 58.200 -0.062 0.000 0.993 29 S CB 0.132 63.299 63.200 -0.055 0.000 0.859 29 S HN 0.021 nan 8.310 nan 0.000 0.453 30 D N -0.280 120.106 120.400 -0.022 0.000 2.405 30 D HA 0.530 5.170 4.640 0.000 0.000 0.264 30 D C 0.542 176.868 176.300 0.044 0.000 1.240 30 D CA 0.219 54.223 54.000 0.007 0.000 0.893 30 D CB 0.981 41.791 40.800 0.017 0.000 1.198 30 D HN 0.230 nan 8.370 nan 0.000 0.514 31 A N 2.532 125.368 122.820 0.026 0.000 1.940 31 A HA -0.199 4.121 4.320 0.000 0.000 0.219 31 A C 1.890 179.538 177.584 0.107 0.000 1.176 31 A CA 1.575 53.652 52.037 0.066 0.000 0.631 31 A CB -0.213 18.803 19.000 0.027 0.000 0.814 31 A HN 0.588 nan 8.150 nan 0.000 0.446 32 E N -0.503 119.733 120.200 0.060 0.000 2.047 32 E HA -0.123 4.227 4.350 0.000 0.000 0.191 32 E C 1.882 178.508 176.600 0.043 0.000 0.987 32 E CA 1.378 57.805 56.400 0.044 0.000 0.799 32 E CB -0.097 29.616 29.700 0.021 0.000 0.752 32 E HN 0.325 nan 8.360 nan 0.000 0.449 33 V N 0.448 120.390 119.914 0.048 0.000 2.358 33 V HA -0.233 3.887 4.120 0.000 0.000 0.246 33 V C 2.026 178.143 176.094 0.039 0.000 1.047 33 V CA 1.868 64.184 62.300 0.027 0.000 1.035 33 V CB -0.623 31.215 31.823 0.024 0.000 0.658 33 V HN 0.416 nan 8.190 nan 0.000 0.452 34 Y N 1.524 121.810 120.300 -0.024 0.000 2.128 34 Y HA -0.307 4.243 4.550 0.000 0.000 0.284 34 Y C 2.361 178.252 175.900 -0.016 0.000 1.154 34 Y CA 2.297 60.390 58.100 -0.012 0.000 1.149 34 Y CB -0.408 38.058 38.460 0.010 0.000 0.976 34 Y HN 0.399 nan 8.280 nan 0.000 0.505 35 D N -0.106 120.325 120.400 0.051 0.000 2.144 35 D HA -0.206 4.434 4.640 0.000 0.000 0.199 35 D C 2.149 178.388 176.300 -0.102 0.000 0.984 35 D CA 1.757 55.742 54.000 -0.025 0.000 0.834 35 D CB -0.363 40.464 40.800 0.045 0.000 0.955 35 D HN 0.507 nan 8.370 nan 0.000 0.465 36 I N 0.124 120.644 120.570 -0.084 0.000 2.179 36 I HA -0.249 3.921 4.170 0.000 0.000 0.242 36 I C 2.351 178.373 176.117 -0.159 0.000 1.088 36 I CA 0.756 62.000 61.300 -0.094 0.000 1.357 36 I CB -0.194 37.766 38.000 -0.068 0.000 1.051 36 I HN 0.105 nan 8.210 nan 0.000 0.409 37 I N 0.551 120.978 120.570 -0.239 0.000 2.163 37 I HA -0.345 3.825 4.170 0.000 0.000 0.243 37 I C 2.635 178.537 176.117 -0.358 0.000 1.085 37 I CA 1.459 62.539 61.300 -0.367 0.000 1.347 37 I CB -0.432 37.253 38.000 -0.525 0.000 1.044 37 I HN 0.207 nan 8.210 nan 0.000 0.408 38 K N 1.349 121.537 120.400 -0.353 0.000 2.009 38 K HA -0.232 4.088 4.320 0.000 0.000 0.210 38 K C 2.167 178.694 176.600 -0.121 0.000 1.049 38 K CA 1.714 57.862 56.287 -0.231 0.000 0.929 38 K CB 0.001 32.349 32.500 -0.253 0.000 0.714 38 K HN 0.197 nan 8.250 nan 0.000 0.440 39 K N 0.179 120.515 120.400 -0.106 0.000 2.057 39 K HA -0.198 4.122 4.320 0.000 0.000 0.207 39 K C 2.105 178.671 176.600 -0.056 0.000 1.049 39 K CA 1.541 57.791 56.287 -0.061 0.000 0.931 39 K CB -0.089 32.383 32.500 -0.048 0.000 0.714 39 K HN 0.129 nan 8.250 nan 0.000 0.440 40 E N 1.138 121.288 120.200 -0.083 0.000 2.051 40 E HA -0.175 4.175 4.350 0.000 0.000 0.192 40 E C 1.986 178.560 176.600 -0.043 0.000 0.991 40 E CA 1.713 58.073 56.400 -0.066 0.000 0.799 40 E CB -0.401 29.238 29.700 -0.101 0.000 0.748 40 E HN 0.094 nan 8.360 nan 0.000 0.449 41 S N -0.333 115.325 115.700 -0.071 0.000 2.370 41 S HA -0.243 4.227 4.470 0.000 0.000 0.226 41 S C 1.959 176.567 174.600 0.014 0.000 1.033 41 S CA 1.768 59.966 58.200 -0.004 0.000 1.011 41 S CB -0.616 62.614 63.200 0.050 0.000 0.852 41 S HN 0.459 nan 8.310 nan 0.000 0.457 42 N N 0.944 119.642 118.700 -0.002 0.000 2.188 42 N HA -0.045 4.695 4.740 0.000 0.000 0.184 42 N C 1.978 177.491 175.510 0.005 0.000 1.018 42 N CA 1.226 54.276 53.050 0.000 0.000 0.858 42 N CB -0.294 38.189 38.487 -0.006 0.000 0.989 42 N HN 0.419 nan 8.380 nan 0.000 0.426 43 R N 0.283 120.787 120.500 0.007 0.000 2.081 43 R HA -0.109 4.232 4.340 0.000 0.000 0.235 43 R C 1.959 178.284 176.300 0.042 0.000 1.131 43 R CA 1.608 57.719 56.100 0.018 0.000 0.960 43 R CB -0.166 30.142 30.300 0.014 0.000 0.856 43 R HN 0.436 nan 8.270 nan 0.000 0.436 44 Q N -0.336 119.502 119.800 0.063 0.000 2.124 44 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 44 Q C 2.231 178.270 176.000 0.064 0.000 0.977 44 Q CA 1.561 57.439 55.803 0.125 0.000 0.850 44 Q CB -0.115 28.742 28.738 0.200 0.000 0.901 44 Q HN 0.299 nan 8.270 nan 0.000 0.429 45 R N 0.503 121.008 120.500 0.008 0.000 2.066 45 R HA -0.116 4.224 4.340 0.000 0.000 0.232 45 R C 2.056 178.354 176.300 -0.004 0.000 1.131 45 R CA 1.628 57.711 56.100 -0.028 0.000 0.955 45 R CB 0.001 30.284 30.300 -0.028 0.000 0.851 45 R HN 0.302 nan 8.270 nan 0.000 0.432 46 V N -2.037 117.882 119.914 0.008 0.000 3.649 46 V HA 0.359 4.479 4.120 0.000 0.000 0.275 46 V C 0.639 176.745 176.094 0.019 0.000 1.281 46 V CA 0.356 62.661 62.300 0.010 0.000 1.143 46 V CB 0.059 31.883 31.823 0.002 0.000 0.892 46 V HN 0.251 nan 8.190 nan 0.000 0.441 47 G N 0.051 108.874 108.800 0.037 0.000 2.491 47 G HA2 0.646 4.606 3.960 0.000 0.000 0.327 47 G HA3 0.646 4.606 3.960 0.000 0.000 0.327 47 G C -1.013 173.926 174.900 0.064 0.000 1.189 47 G CA -1.005 44.122 45.100 0.045 0.000 0.956 47 G HN 0.275 nan 8.290 nan 0.000 0.491 48 L N 1.328 122.588 121.223 0.062 0.000 2.295 48 L HA 0.293 4.633 4.340 0.000 0.000 0.281 48 L C -0.241 176.683 176.870 0.091 0.000 1.018 48 L CA -0.722 54.162 54.840 0.073 0.000 0.841 48 L CB 1.523 43.630 42.059 0.080 0.000 1.218 48 L HN 0.329 nan 8.230 nan 0.000 0.424 49 E N 4.126 124.401 120.200 0.124 0.000 2.070 49 E HA 0.174 4.525 4.350 0.000 0.000 0.282 49 E C 0.219 176.887 176.600 0.114 0.000 1.104 49 E CA 0.146 56.615 56.400 0.115 0.000 0.876 49 E CB 1.251 31.026 29.700 0.125 0.000 1.055 49 E HN 0.524 nan 8.360 nan 0.000 0.401 50 L N 4.136 125.417 121.223 0.097 0.000 2.858 50 L HA 0.319 4.659 4.340 0.000 0.000 0.251 50 L C 0.568 177.485 176.870 0.078 0.000 1.149 50 L CA -0.108 54.798 54.840 0.110 0.000 0.955 50 L CB 0.468 42.593 42.059 0.110 0.000 1.289 50 L HN 0.399 nan 8.230 nan 0.000 0.542 51 I N 0.902 121.510 120.570 0.063 0.000 2.505 51 I HA -0.034 4.136 4.170 0.000 0.000 0.287 51 I C 1.667 177.835 176.117 0.084 0.000 1.104 51 I CA -0.020 61.315 61.300 0.059 0.000 1.387 51 I CB 1.384 39.410 38.000 0.045 0.000 1.404 51 I HN 0.163 nan 8.210 nan 0.000 0.528 52 A N 4.744 127.631 122.820 0.110 0.000 2.032 52 A HA -0.196 4.124 4.320 0.000 0.000 0.221 52 A C 2.128 179.877 177.584 0.274 0.000 1.165 52 A CA 2.170 54.324 52.037 0.194 0.000 0.645 52 A CB -0.461 18.630 19.000 0.151 0.000 0.807 52 A HN 0.812 nan 8.150 nan 0.000 0.453 53 S N -0.894 114.917 115.700 0.185 0.000 2.556 53 S HA 0.158 4.628 4.470 0.000 0.000 0.216 53 S C 0.280 174.881 174.600 0.002 0.000 0.970 53 S CA -0.395 57.817 58.200 0.021 0.000 0.912 53 S CB 0.112 63.323 63.200 0.018 0.000 0.790 53 S HN 0.487 nan 8.310 nan 0.000 0.504 54 E N 2.149 122.351 120.200 0.003 0.000 2.277 54 E HA 0.487 4.837 4.350 0.000 0.000 0.274 54 E C -0.435 176.074 176.600 -0.153 0.000 1.022 54 E CA -0.288 56.061 56.400 -0.085 0.000 0.853 54 E CB 0.902 30.530 29.700 -0.119 0.000 1.086 54 E HN 0.251 nan 8.360 nan 0.000 0.397 55 N N 0.570 119.098 118.700 -0.287 0.000 3.277 55 N HA 0.376 5.116 4.740 0.000 0.000 0.278 55 N C -1.794 173.379 175.510 -0.563 0.000 1.544 55 N CA -0.505 52.350 53.050 -0.324 0.000 0.869 55 N CB 1.000 39.466 38.487 -0.035 0.000 1.584 55 N HN 0.154 nan 8.380 nan 0.000 0.564 56 F N 0.986 120.980 119.950 0.073 0.000 2.507 56 F HA 0.657 5.184 4.527 0.000 0.000 0.328 56 F C 0.657 176.483 175.800 0.043 0.000 1.136 56 F CA -0.790 57.243 58.000 0.054 0.000 0.930 56 F CB 1.583 40.610 39.000 0.046 0.000 1.166 56 F HN 0.440 nan 8.300 nan 0.000 0.436 57 A N 2.054 124.996 122.820 0.203 0.000 2.388 57 A HA 0.544 4.864 4.320 0.000 0.000 0.257 57 A C 0.385 178.042 177.584 0.122 0.000 1.095 57 A CA -0.331 51.785 52.037 0.132 0.000 0.791 57 A CB 0.099 19.160 19.000 0.102 0.000 1.029 57 A HN 0.830 nan 8.150 nan 0.000 0.489 58 S N 1.614 117.360 115.700 0.077 0.000 2.600 58 S HA 0.175 4.645 4.470 0.000 0.000 0.265 58 S C 1.213 175.840 174.600 0.046 0.000 1.325 58 S CA 0.186 58.416 58.200 0.051 0.000 1.002 58 S CB 0.681 63.896 63.200 0.025 0.000 0.921 58 S HN 0.847 nan 8.310 nan 0.000 0.554 59 R N 1.010 121.526 120.500 0.027 0.000 2.091 59 R HA -0.143 4.197 4.340 0.000 0.000 0.238 59 R C 2.334 178.644 176.300 0.017 0.000 1.136 59 R CA 1.600 57.710 56.100 0.017 0.000 0.959 59 R CB -1.151 29.142 30.300 -0.010 0.000 0.856 59 R HN 0.856 nan 8.270 nan 0.000 0.437 60 A N 0.358 123.184 122.820 0.011 0.000 1.883 60 A HA -0.144 4.176 4.320 0.000 0.000 0.217 60 A C 2.303 179.897 177.584 0.017 0.000 1.186 60 A CA 1.828 53.869 52.037 0.008 0.000 0.624 60 A CB -0.767 18.233 19.000 -0.001 0.000 0.822 60 A HN 0.242 nan 8.150 nan 0.000 0.444 61 V N 0.158 120.085 119.914 0.022 0.000 2.287 61 V HA -0.278 3.842 4.120 0.000 0.000 0.248 61 V C 2.597 178.717 176.094 0.044 0.000 1.053 61 V CA 2.082 64.399 62.300 0.029 0.000 1.027 61 V CB -0.744 31.098 31.823 0.032 0.000 0.646 61 V HN 0.580 nan 8.190 nan 0.000 0.447 62 L N -0.429 120.829 121.223 0.057 0.000 2.083 62 L HA -0.200 4.140 4.340 0.000 0.000 0.209 62 L C 2.588 179.499 176.870 0.069 0.000 1.083 62 L CA 1.647 56.533 54.840 0.077 0.000 0.752 62 L CB -0.690 41.432 42.059 0.105 0.000 0.899 62 L HN 0.432 nan 8.230 nan 0.000 0.433 63 E N 0.225 120.453 120.200 0.047 0.000 2.110 63 E HA -0.214 4.136 4.350 0.000 0.000 0.193 63 E C 2.307 178.931 176.600 0.040 0.000 0.988 63 E CA 1.096 57.518 56.400 0.036 0.000 0.804 63 E CB -0.139 29.572 29.700 0.017 0.000 0.745 63 E HN 0.513 nan 8.360 nan 0.000 0.458 64 A N 1.441 124.285 122.820 0.041 0.000 1.933 64 A HA -0.159 4.161 4.320 0.000 0.000 0.218 64 A C 2.200 179.833 177.584 0.081 0.000 1.175 64 A CA 0.996 53.062 52.037 0.048 0.000 0.628 64 A CB -0.641 18.383 19.000 0.039 0.000 0.814 64 A HN 0.144 nan 8.150 nan 0.000 0.444 65 L N -0.815 120.466 121.223 0.097 0.000 2.191 65 L HA -0.131 4.209 4.340 0.000 0.000 0.212 65 L C 2.425 179.365 176.870 0.116 0.000 1.103 65 L CA 0.940 55.877 54.840 0.161 0.000 0.769 65 L CB -0.471 41.673 42.059 0.143 0.000 0.908 65 L HN 0.505 nan 8.230 nan 0.000 0.438 66 G N -0.772 108.065 108.800 0.061 0.000 3.042 66 G HA2 -0.012 3.948 3.960 0.000 0.000 0.212 66 G HA3 -0.012 3.948 3.960 0.000 0.000 0.212 66 G C 0.783 175.679 174.900 -0.007 0.000 1.166 66 G CA 0.334 45.444 45.100 0.016 0.000 0.767 66 G HN 0.408 nan 8.290 nan 0.000 0.546 67 S N -0.551 115.156 115.700 0.011 0.000 2.596 67 S HA 0.033 4.503 4.470 0.000 0.000 0.260 67 S C 1.796 176.379 174.600 -0.027 0.000 1.336 67 S CA 0.091 58.292 58.200 0.002 0.000 0.993 67 S CB 0.774 63.989 63.200 0.025 0.000 0.923 67 S HN 0.676 nan 8.310 nan 0.000 0.567 68 C N 0.015 119.304 119.300 -0.018 0.000 2.511 68 C HA 0.256 4.716 4.460 0.000 0.000 0.277 68 C C 2.034 177.012 174.990 -0.019 0.000 1.451 68 C CA -0.465 58.538 59.018 -0.025 0.000 1.735 68 C CB -2.212 25.523 27.740 -0.008 0.000 1.704 68 C HN 0.788 nan 8.230 nan 0.000 0.571 69 L N 1.382 122.606 121.223 0.001 0.000 2.362 69 L HA -0.077 4.263 4.340 0.000 0.000 0.219 69 L C 2.446 179.321 176.870 0.008 0.000 1.134 69 L CA 0.915 55.776 54.840 0.036 0.000 0.807 69 L CB -0.765 41.345 42.059 0.086 0.000 0.927 69 L HN 0.508 nan 8.230 nan 0.000 0.447 70 N N 0.713 119.335 118.700 -0.130 0.000 2.244 70 N HA -0.157 4.583 4.740 0.000 0.000 0.183 70 N C 1.285 176.682 175.510 -0.189 0.000 1.016 70 N CA 1.331 54.185 53.050 -0.327 0.000 0.866 70 N CB -0.208 37.987 38.487 -0.487 0.000 0.980 70 N HN 0.582 nan 8.380 nan 0.000 0.430 71 N N 0.407 119.044 118.700 -0.104 0.000 2.409 71 N HA -0.074 4.666 4.740 0.000 0.000 0.179 71 N C 0.485 175.989 175.510 -0.009 0.000 1.032 71 N CA 0.373 53.391 53.050 -0.054 0.000 0.898 71 N CB 0.165 38.639 38.487 -0.021 0.000 0.971 71 N HN -0.005 nan 8.380 nan 0.000 0.441 72 K N 0.902 121.303 120.400 0.000 0.000 2.258 72 K HA 0.134 4.454 4.320 0.000 0.000 0.284 72 K C -1.518 175.100 176.600 0.031 0.000 1.051 72 K CA -0.285 56.033 56.287 0.053 0.000 0.923 72 K CB 0.150 32.688 32.500 0.064 0.000 1.046 72 K HN 0.000 nan 8.250 nan 0.000 0.474 73 Y N 2.414 122.762 120.300 0.080 0.000 2.350 73 Y HA 0.148 4.698 4.550 0.000 0.000 0.340 73 Y C 0.296 176.205 175.900 0.015 0.000 1.006 73 Y CA 0.367 58.510 58.100 0.071 0.000 1.166 73 Y CB 1.114 39.688 38.460 0.189 0.000 1.168 73 Y HN 0.747 nan 8.280 nan 0.000 0.502 74 S N 2.438 118.172 115.700 0.057 0.000 2.617 74 S HA 0.251 4.721 4.470 0.000 0.000 0.237 74 S C -0.821 173.572 174.600 -0.345 0.000 1.142 74 S CA -0.997 57.147 58.200 -0.093 0.000 1.167 74 S CB -0.180 62.974 63.200 -0.077 0.000 1.068 74 S HN 0.653 nan 8.310 nan 0.000 0.470 75 Q N 1.539 121.031 119.800 -0.514 0.000 2.326 75 Q HA 0.506 4.846 4.340 0.000 0.000 0.314 75 Q C 1.180 176.517 176.000 -1.104 0.000 1.091 75 Q CA 1.798 56.902 55.803 -1.164 0.000 0.974 75 Q CB -0.149 27.748 28.738 -1.401 0.000 1.220 75 Q HN 0.949 nan 8.270 nan 0.000 0.398 76 G N 0.075 108.041 108.800 -1.390 0.000 2.445 76 G HA2 -0.170 3.790 3.960 0.000 0.000 0.212 76 G HA3 -0.170 3.790 3.960 0.000 0.000 0.212 76 G C -1.425 172.972 174.900 -0.839 0.000 1.217 76 G CA -0.550 44.142 45.100 -0.680 0.000 1.002 76 G HN 0.511 nan 8.290 nan 0.000 0.574 77 Y N -0.511 119.754 120.300 -0.058 0.000 2.655 77 Y HA 0.595 5.145 4.550 0.000 0.000 0.336 77 Y C -2.241 173.654 175.900 -0.008 0.000 1.154 77 Y CA -1.721 56.359 58.100 -0.033 0.000 1.055 77 Y CB 1.703 40.165 38.460 0.002 0.000 1.295 77 Y HN 0.475 nan 8.280 nan 0.000 0.465 78 P HA 0.092 nan 4.420 nan 0.000 0.262 78 P C 0.602 177.965 177.300 0.105 0.000 1.182 78 P CA 2.192 65.354 63.100 0.102 0.000 0.761 78 P CB 0.366 32.118 31.700 0.087 0.000 0.795 79 G N 2.791 111.639 108.800 0.080 0.000 2.212 79 G HA2 -0.307 3.653 3.960 0.000 0.000 0.266 79 G HA3 -0.307 3.653 3.960 0.000 0.000 0.266 79 G C 0.345 175.303 174.900 0.097 0.000 0.978 79 G CA -0.011 45.134 45.100 0.076 0.000 0.632 79 G HN 0.606 nan 8.290 nan 0.000 0.537 80 Q N -0.038 119.839 119.800 0.129 0.000 2.366 80 Q HA 0.233 4.573 4.340 0.000 0.000 0.356 80 Q C 0.059 176.156 176.000 0.163 0.000 0.866 80 Q CA -0.613 55.289 55.803 0.166 0.000 1.109 80 Q CB 0.860 29.735 28.738 0.227 0.000 1.361 80 Q HN 0.282 nan 8.270 nan 0.000 0.404 81 R N -0.121 120.450 120.500 0.117 0.000 2.457 81 R HA 0.198 4.538 4.340 0.000 0.000 0.284 81 R C 0.520 176.940 176.300 0.201 0.000 1.024 81 R CA -0.317 55.832 56.100 0.082 0.000 1.025 81 R CB 0.524 30.850 30.300 0.043 0.000 1.063 81 R HN 0.244 nan 8.270 nan 0.000 0.493 82 Y N 0.655 120.883 120.300 -0.121 0.000 2.184 82 Y HA -0.028 4.522 4.550 0.000 0.000 0.290 82 Y C 0.739 176.671 175.900 0.053 0.000 1.129 82 Y CA 0.723 58.752 58.100 -0.119 0.000 1.144 82 Y CB -0.170 38.056 38.460 -0.389 0.000 0.995 82 Y HN 0.441 nan 8.280 nan 0.000 0.513 83 Y N -0.941 119.465 120.300 0.176 0.000 2.534 83 Y HA 0.553 5.103 4.550 0.000 0.000 0.329 83 Y C 1.000 176.937 175.900 0.061 0.000 1.154 83 Y CA -1.196 56.958 58.100 0.091 0.000 1.192 83 Y CB 0.899 39.406 38.460 0.077 0.000 1.275 83 Y HN -0.121 nan 8.280 nan 0.000 0.491 84 G N -0.717 108.212 108.800 0.216 0.000 2.537 84 G HA2 0.419 4.380 3.960 0.000 0.000 0.297 84 G HA3 0.419 4.380 3.960 0.000 0.000 0.297 84 G C 0.599 175.554 174.900 0.093 0.000 1.310 84 G CA -0.403 44.766 45.100 0.114 0.000 1.027 84 G HN 1.172 nan 8.290 nan 0.000 0.505 85 G N -1.840 106.985 108.800 0.041 0.000 2.147 85 G HA2 -0.176 3.784 3.960 0.000 0.000 0.244 85 G HA3 -0.176 3.784 3.960 0.000 0.000 0.244 85 G C 0.847 175.749 174.900 0.003 0.000 1.005 85 G CA 1.454 46.565 45.100 0.017 0.000 0.713 85 G HN 1.774 nan 8.290 nan 0.000 0.515 86 T N -2.609 111.945 114.554 -0.000 0.000 3.223 86 T HA 0.446 4.796 4.350 0.000 0.000 0.259 86 T C 1.303 175.964 174.700 -0.065 0.000 1.015 86 T CA 0.856 62.951 62.100 -0.009 0.000 0.908 86 T CB 0.724 69.603 68.868 0.018 0.000 1.054 86 T HN 0.480 nan 8.240 nan 0.000 0.567 87 E N 1.260 121.359 120.200 -0.168 0.000 2.049 87 E HA -0.291 4.059 4.350 0.000 0.000 0.198 87 E C 1.621 178.092 176.600 -0.215 0.000 1.007 87 E CA 1.733 57.984 56.400 -0.248 0.000 0.809 87 E CB -0.087 29.353 29.700 -0.433 0.000 0.749 87 E HN 0.706 nan 8.360 nan 0.000 0.450 88 H N -0.331 118.755 119.070 0.026 0.000 2.436 88 H HA -0.029 4.527 4.556 0.000 0.000 0.294 88 H C 2.259 177.599 175.328 0.021 0.000 1.048 88 H CA 0.740 56.801 56.048 0.022 0.000 1.353 88 H CB -0.039 29.735 29.762 0.020 0.000 1.414 88 H HN 0.244 nan 8.280 nan 0.000 0.536 89 I N 1.516 122.145 120.570 0.099 0.000 2.286 89 I HA -0.201 3.969 4.170 0.000 0.000 0.248 89 I C 1.676 177.819 176.117 0.045 0.000 1.115 89 I CA 1.040 62.378 61.300 0.064 0.000 1.392 89 I CB -0.711 37.312 38.000 0.038 0.000 1.065 89 I HN 0.125 nan 8.210 nan 0.000 0.418 90 D N 0.883 121.302 120.400 0.033 0.000 2.117 90 D HA -0.168 4.472 4.640 0.000 0.000 0.198 90 D C 2.079 178.405 176.300 0.043 0.000 0.982 90 D CA 1.060 55.079 54.000 0.032 0.000 0.828 90 D CB -0.133 40.680 40.800 0.022 0.000 0.967 90 D HN 0.462 nan 8.370 nan 0.000 0.464 91 E N 0.239 120.474 120.200 0.058 0.000 2.085 91 E HA -0.168 4.182 4.350 0.000 0.000 0.194 91 E C 2.078 178.708 176.600 0.050 0.000 0.994 91 E CA 0.401 56.838 56.400 0.063 0.000 0.801 91 E CB -0.064 29.694 29.700 0.097 0.000 0.743 91 E HN 0.118 nan 8.360 nan 0.000 0.453 92 L N 1.444 122.699 121.223 0.054 0.000 2.005 92 L HA -0.175 4.165 4.340 0.000 0.000 0.207 92 L C 2.329 179.214 176.870 0.026 0.000 1.072 92 L CA 1.994 56.857 54.840 0.038 0.000 0.744 92 L CB -0.356 41.729 42.059 0.043 0.000 0.895 92 L HN 0.038 nan 8.230 nan 0.000 0.433 93 E N -1.446 118.771 120.200 0.027 0.000 2.077 93 E HA -0.211 4.139 4.350 0.000 0.000 0.193 93 E C 1.897 178.512 176.600 0.025 0.000 0.989 93 E CA 1.686 58.099 56.400 0.023 0.000 0.800 93 E CB -0.076 29.642 29.700 0.030 0.000 0.746 93 E HN 0.555 nan 8.360 nan 0.000 0.452 94 T N 1.372 115.944 114.554 0.031 0.000 2.708 94 T HA -0.180 4.170 4.350 0.000 0.000 0.266 94 T C 1.761 176.470 174.700 0.016 0.000 1.037 94 T CA 1.269 63.385 62.100 0.028 0.000 1.146 94 T CB -0.314 68.573 68.868 0.032 0.000 0.865 94 T HN 0.144 nan 8.240 nan 0.000 0.435 95 L N 0.825 122.057 121.223 0.016 0.000 2.012 95 L HA -0.059 4.281 4.340 0.000 0.000 0.210 95 L C 2.692 179.561 176.870 -0.001 0.000 1.073 95 L CA 1.616 56.461 54.840 0.008 0.000 0.748 95 L CB -1.113 40.952 42.059 0.010 0.000 0.891 95 L HN 0.385 nan 8.230 nan 0.000 0.431 96 C N -0.282 119.017 119.300 -0.002 0.000 2.413 96 C HA -0.209 4.252 4.460 0.000 0.000 0.276 96 C C 2.774 177.751 174.990 -0.023 0.000 1.248 96 C CA 1.463 60.473 59.018 -0.013 0.000 1.742 96 C CB -0.885 26.847 27.740 -0.014 0.000 2.017 96 C HN 0.705 nan 8.230 nan 0.000 0.481 97 Q N 0.080 119.866 119.800 -0.023 0.000 2.084 97 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 97 Q C 2.332 178.320 176.000 -0.021 0.000 0.978 97 Q CA 1.715 57.494 55.803 -0.041 0.000 0.844 97 Q CB -0.272 28.450 28.738 -0.028 0.000 0.898 97 Q HN 0.691 nan 8.270 nan 0.000 0.426 98 K N 1.084 121.480 120.400 -0.007 0.000 2.026 98 K HA -0.165 4.155 4.320 0.000 0.000 0.208 98 K C 2.061 178.658 176.600 -0.005 0.000 1.048 98 K CA 1.206 57.491 56.287 -0.003 0.000 0.929 98 K CB 0.075 32.575 32.500 -0.001 0.000 0.713 98 K HN 0.064 nan 8.250 nan 0.000 0.439 99 R N -0.125 120.369 120.500 -0.010 0.000 2.092 99 R HA -0.074 4.266 4.340 0.000 0.000 0.231 99 R C 2.382 178.686 176.300 0.006 0.000 1.119 99 R CA 1.037 57.125 56.100 -0.020 0.000 0.970 99 R CB -0.279 30.002 30.300 -0.031 0.000 0.864 99 R HN 0.245 nan 8.270 nan 0.000 0.440 100 A N 1.448 124.296 122.820 0.046 0.000 1.877 100 A HA -0.139 4.181 4.320 0.000 0.000 0.216 100 A C 2.177 179.935 177.584 0.291 0.000 1.186 100 A CA 1.193 53.340 52.037 0.183 0.000 0.620 100 A CB -0.572 18.457 19.000 0.049 0.000 0.822 100 A HN 0.166 nan 8.150 nan 0.000 0.443 101 L N -0.953 120.363 121.223 0.155 0.000 2.046 101 L HA -0.235 4.105 4.340 0.000 0.000 0.208 101 L C 2.912 179.764 176.870 -0.031 0.000 1.077 101 L CA 1.813 56.698 54.840 0.076 0.000 0.747 101 L CB -0.607 41.476 42.059 0.040 0.000 0.896 101 L HN 0.617 nan 8.230 nan 0.000 0.432 102 Q N 0.377 120.159 119.800 -0.029 0.000 2.020 102 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 102 Q C 2.332 178.249 176.000 -0.137 0.000 0.982 102 Q CA 1.878 57.638 55.803 -0.072 0.000 0.838 102 Q CB -0.133 28.571 28.738 -0.056 0.000 0.899 102 Q HN 0.479 nan 8.270 nan 0.000 0.423 103 A N -0.269 122.451 122.820 -0.168 0.000 1.986 103 A HA -0.192 4.128 4.320 0.000 0.000 0.220 103 A C 1.115 178.360 177.584 -0.565 0.000 1.171 103 A CA 1.406 53.235 52.037 -0.348 0.000 0.640 103 A CB -0.659 18.099 19.000 -0.404 0.000 0.811 103 A HN 0.611 nan 8.150 nan 0.000 0.451 104 Y N -0.766 119.329 120.300 -0.342 0.000 2.524 104 Y HA 0.387 4.937 4.550 0.000 0.000 0.266 104 Y C 1.607 177.216 175.900 -0.486 0.000 1.180 104 Y CA -0.121 57.654 58.100 -0.542 0.000 1.244 104 Y CB -0.150 37.632 38.460 -1.130 0.000 1.125 104 Y HN 0.395 nan 8.280 nan 0.000 0.524 105 G N 1.415 110.076 108.800 -0.232 0.000 2.323 105 G HA2 -0.287 3.673 3.960 0.000 0.000 0.292 105 G HA3 -0.287 3.673 3.960 0.000 0.000 0.292 105 G C -0.271 174.523 174.900 -0.178 0.000 1.040 105 G CA 0.047 45.048 45.100 -0.165 0.000 0.942 105 G HN 0.320 nan 8.290 nan 0.000 0.506 106 L N 0.152 121.244 121.223 -0.218 0.000 2.295 106 L HA 0.411 4.751 4.340 0.000 0.000 0.285 106 L C 0.248 177.124 176.870 0.011 0.000 1.035 106 L CA -1.045 53.691 54.840 -0.175 0.000 0.806 106 L CB 1.449 43.259 42.059 -0.415 0.000 1.214 106 L HN 0.138 nan 8.230 nan 0.000 0.426 107 D N 5.804 126.276 120.400 0.120 0.000 2.343 107 D HA 0.093 4.733 4.640 0.000 0.000 0.255 107 D C -1.541 174.838 176.300 0.132 0.000 1.187 107 D CA -1.619 52.444 54.000 0.104 0.000 0.875 107 D CB 1.792 42.653 40.800 0.102 0.000 1.136 107 D HN 0.300 nan 8.370 nan 0.000 0.469 108 P HA -0.136 nan 4.420 nan 0.000 0.229 108 P C 0.711 178.052 177.300 0.069 0.000 1.150 108 P CA 0.903 64.050 63.100 0.077 0.000 0.765 108 P CB 0.381 32.109 31.700 0.046 0.000 0.783 109 Q N -1.820 118.019 119.800 0.065 0.000 2.408 109 Q HA 0.063 4.403 4.340 0.000 0.000 0.205 109 Q C 1.433 177.451 176.000 0.029 0.000 0.919 109 Q CA 0.545 56.376 55.803 0.047 0.000 0.932 109 Q CB 0.133 28.895 28.738 0.041 0.000 1.058 109 Q HN 0.302 nan 8.270 nan 0.000 0.517 110 C N -1.447 117.870 119.300 0.029 0.000 3.270 110 C HA 0.222 4.682 4.460 0.000 0.000 0.369 110 C C -0.067 174.718 174.990 -0.341 0.000 1.326 110 C CA -0.588 58.365 59.018 -0.109 0.000 1.846 110 C CB 0.008 27.722 27.740 -0.043 0.000 2.534 110 C HN 0.404 nan 8.230 nan 0.000 0.649 111 W N 0.259 121.537 121.300 -0.038 0.000 2.915 111 W HA 0.589 5.249 4.660 0.000 0.000 0.337 111 W C 0.151 176.561 176.519 -0.182 0.000 1.102 111 W CA -0.165 57.121 57.345 -0.098 0.000 1.224 111 W CB 1.073 30.490 29.460 -0.073 0.000 1.416 111 W HN 0.144 nan 8.180 nan 0.000 0.503 112 G N 0.354 109.029 108.800 -0.209 0.000 2.658 112 G HA2 0.708 4.668 3.960 0.000 0.000 0.292 112 G HA3 0.708 4.668 3.960 0.000 0.000 0.292 112 G C -2.080 172.225 174.900 -0.993 0.000 1.320 112 G CA -0.922 43.848 45.100 -0.550 0.000 0.933 112 G HN 0.593 nan 8.290 nan 0.000 0.476 113 V N 0.445 119.988 119.914 -0.619 0.000 2.891 113 V HA 0.584 4.704 4.120 0.000 0.000 0.304 113 V C -1.595 174.395 176.094 -0.174 0.000 1.171 113 V CA -1.130 60.857 62.300 -0.521 0.000 0.943 113 V CB 2.112 33.541 31.823 -0.657 0.000 1.037 113 V HN 0.766 nan 8.190 nan 0.000 0.427 114 N N 4.228 122.892 118.700 -0.060 0.000 2.425 114 N HA 0.354 5.094 4.740 0.000 0.000 0.268 114 N C 0.117 175.577 175.510 -0.083 0.000 0.991 114 N CA 0.086 53.150 53.050 0.024 0.000 0.931 114 N CB 1.990 40.539 38.487 0.103 0.000 1.130 114 N HN 0.810 nan 8.380 nan 0.000 0.493 115 V N 1.407 121.291 119.914 -0.050 0.000 3.099 115 V HA 0.294 4.414 4.120 0.000 0.000 0.356 115 V C 0.943 177.001 176.094 -0.060 0.000 1.364 115 V CA 0.075 62.327 62.300 -0.079 0.000 1.229 115 V CB -0.005 31.775 31.823 -0.072 0.000 1.227 115 V HN 0.573 nan 8.190 nan 0.000 0.493 116 Q N 0.288 120.052 119.800 -0.060 0.000 2.352 116 Q HA 0.251 4.592 4.340 0.000 0.000 0.212 116 Q C -1.799 174.046 176.000 -0.258 0.000 0.888 116 Q CA -0.936 54.784 55.803 -0.139 0.000 0.934 116 Q CB -0.192 28.455 28.738 -0.152 0.000 1.093 116 Q HN 0.549 nan 8.270 nan 0.000 0.523 117 P HA -0.139 nan 4.420 nan 0.000 0.264 117 P C -0.400 176.792 177.300 -0.181 0.000 1.183 117 P CA 0.684 63.646 63.100 -0.230 0.000 0.763 117 P CB 0.266 31.904 31.700 -0.102 0.000 0.807 118 Y N 0.664 120.889 120.300 -0.125 0.000 2.439 118 Y HA 0.082 4.632 4.550 0.000 0.000 0.292 118 Y C 1.555 177.404 175.900 -0.085 0.000 1.130 118 Y CA 0.878 58.868 58.100 -0.185 0.000 1.254 118 Y CB 0.005 38.326 38.460 -0.233 0.000 1.000 118 Y HN 0.297 nan 8.280 nan 0.000 0.554 119 S N -2.852 112.915 115.700 0.111 0.000 2.694 119 S HA 0.460 4.930 4.470 0.000 0.000 0.273 119 S C 1.111 175.771 174.600 0.101 0.000 1.180 119 S CA -0.303 57.971 58.200 0.122 0.000 0.864 119 S CB 0.213 63.487 63.200 0.124 0.000 1.198 119 S HN 0.177 nan 8.310 nan 0.000 0.499 120 G N 1.333 110.207 108.800 0.124 0.000 2.433 120 G HA2 -0.102 3.858 3.960 0.000 0.000 0.216 120 G HA3 -0.102 3.858 3.960 0.000 0.000 0.216 120 G C 1.411 176.351 174.900 0.066 0.000 1.186 120 G CA 1.503 46.637 45.100 0.057 0.000 0.779 120 G HN 0.618 nan 8.290 nan 0.000 0.543 121 S N 1.793 117.561 115.700 0.113 0.000 2.368 121 S HA -0.070 4.400 4.470 0.000 0.000 0.225 121 S C 0.121 174.805 174.600 0.140 0.000 1.030 121 S CA 1.577 59.873 58.200 0.161 0.000 0.999 121 S CB -0.919 62.394 63.200 0.189 0.000 0.844 121 S HN 0.300 nan 8.310 nan 0.000 0.459 122 P HA 0.003 nan 4.420 nan 0.000 0.217 122 P C 1.458 178.790 177.300 0.054 0.000 1.150 122 P CA 1.327 64.480 63.100 0.089 0.000 0.832 122 P CB -0.101 31.638 31.700 0.065 0.000 0.787 123 A N -0.165 122.662 122.820 0.012 0.000 1.877 123 A HA -0.232 4.088 4.320 0.000 0.000 0.216 123 A C 2.130 179.653 177.584 -0.101 0.000 1.186 123 A CA 1.932 53.948 52.037 -0.035 0.000 0.620 123 A CB -1.491 17.494 19.000 -0.025 0.000 0.822 123 A HN 0.118 nan 8.150 nan 0.000 0.443 124 N N -0.862 117.767 118.700 -0.118 0.000 2.069 124 N HA -0.148 4.592 4.740 0.000 0.000 0.191 124 N C 1.414 176.438 175.510 -0.810 0.000 1.031 124 N CA 1.507 54.316 53.050 -0.401 0.000 0.852 124 N CB -0.683 37.712 38.487 -0.153 0.000 1.018 124 N HN 0.495 nan 8.380 nan 0.000 0.423 125 F N 1.555 121.258 119.950 -0.411 0.000 2.171 125 F HA -0.110 4.417 4.527 0.000 0.000 0.300 125 F C 2.205 177.921 175.800 -0.139 0.000 1.090 125 F CA 1.155 59.047 58.000 -0.179 0.000 1.293 125 F CB -0.308 38.745 39.000 0.088 0.000 1.013 125 F HN 0.045 nan 8.300 nan 0.000 0.486 126 A N -0.534 122.287 122.820 0.002 0.000 1.902 126 A HA -0.153 4.167 4.320 0.000 0.000 0.217 126 A C 2.312 179.814 177.584 -0.136 0.000 1.181 126 A CA 1.972 53.994 52.037 -0.026 0.000 0.623 126 A CB -1.314 17.674 19.000 -0.021 0.000 0.818 126 A HN 0.225 nan 8.150 nan 0.000 0.443 127 V N -0.913 118.855 119.914 -0.243 0.000 2.295 127 V HA -0.276 3.844 4.120 0.000 0.000 0.246 127 V C 2.457 178.443 176.094 -0.181 0.000 1.049 127 V CA 1.987 64.153 62.300 -0.223 0.000 1.024 127 V CB -1.148 30.535 31.823 -0.234 0.000 0.648 127 V HN 0.651 nan 8.190 nan 0.000 0.447 128 Y N 0.970 121.097 120.300 -0.288 0.000 2.128 128 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 128 Y C 2.851 178.533 175.900 -0.364 0.000 1.154 128 Y CA 1.380 59.141 58.100 -0.565 0.000 1.149 128 Y CB -1.941 35.850 38.460 -1.115 0.000 0.976 128 Y HN 0.210 nan 8.280 nan 0.000 0.505 129 T N 0.072 114.594 114.554 -0.054 0.000 2.803 129 T HA -0.169 4.182 4.350 0.000 0.000 0.269 129 T C 2.144 176.864 174.700 0.032 0.000 1.052 129 T CA 1.403 63.544 62.100 0.068 0.000 1.136 129 T CB -0.486 68.384 68.868 0.004 0.000 0.864 129 T HN 0.453 nan 8.240 nan 0.000 0.467 130 A N 0.686 123.488 122.820 -0.030 0.000 1.878 130 A HA 0.251 4.571 4.320 0.000 0.000 0.213 130 A C 2.146 179.706 177.584 -0.040 0.000 1.192 130 A CA 0.713 52.721 52.037 -0.048 0.000 0.619 130 A CB -0.311 18.631 19.000 -0.097 0.000 0.837 130 A HN 0.462 nan 8.150 nan 0.000 0.446 131 L N -1.021 120.170 121.223 -0.054 0.000 2.408 131 L HA 0.062 4.402 4.340 0.000 0.000 0.215 131 L C 2.063 178.981 176.870 0.080 0.000 1.081 131 L CA 0.307 55.136 54.840 -0.019 0.000 0.840 131 L CB -0.108 41.856 42.059 -0.158 0.000 1.002 131 L HN 0.188 nan 8.230 nan 0.000 0.468 132 V N -1.189 118.749 119.914 0.040 0.000 2.436 132 V HA 0.076 4.196 4.120 0.000 0.000 0.240 132 V C 0.368 176.569 176.094 0.178 0.000 1.040 132 V CA 0.220 62.554 62.300 0.057 0.000 1.052 132 V CB -0.232 31.488 31.823 -0.171 0.000 0.707 132 V HN 0.437 nan 8.190 nan 0.000 0.469 133 E N -1.089 119.284 120.200 0.288 0.000 8.710 133 E HA -0.143 4.207 4.350 0.000 0.000 0.468 133 E C -2.676 174.113 176.600 0.315 0.000 1.162 133 E CA -0.273 56.292 56.400 0.275 0.000 2.026 133 E CB -1.105 28.678 29.700 0.139 0.000 1.008 133 E HN 0.292 nan 8.360 nan 0.000 0.263 134 P HA -0.156 nan 4.420 nan 0.000 0.259 134 P C -0.223 177.061 177.300 -0.028 0.000 1.163 134 P CA 1.050 64.031 63.100 -0.198 0.000 0.760 134 P CB 0.129 31.744 31.700 -0.141 0.000 0.762 135 H N -0.975 118.125 119.070 0.050 0.000 3.631 135 H HA -0.167 4.389 4.556 0.000 0.000 0.202 135 H C 1.019 176.441 175.328 0.157 0.000 1.029 135 H CA 1.240 57.350 56.048 0.104 0.000 1.208 135 H CB -1.994 27.797 29.762 0.049 0.000 1.124 135 H HN 0.633 nan 8.280 nan 0.000 0.329 136 G N 0.951 109.941 108.800 0.316 0.000 2.544 136 G HA2 0.310 4.270 3.960 0.000 0.000 0.242 136 G HA3 0.310 4.270 3.960 0.000 0.000 0.242 136 G C 0.351 175.354 174.900 0.171 0.000 1.247 136 G CA -0.508 44.717 45.100 0.208 0.000 0.840 136 G HN 0.203 nan 8.290 nan 0.000 0.578 137 R N 0.267 120.797 120.500 0.050 0.000 2.357 137 R HA 0.449 4.789 4.340 0.000 0.000 0.296 137 R C -0.243 176.141 176.300 0.141 0.000 1.052 137 R CA -0.117 56.013 56.100 0.050 0.000 0.988 137 R CB 1.100 31.160 30.300 -0.400 0.000 1.025 137 R HN 0.379 nan 8.270 nan 0.000 0.469 138 I N 3.227 123.949 120.570 0.254 0.000 2.582 138 I HA 0.368 4.538 4.170 0.000 0.000 0.292 138 I C -0.333 175.908 176.117 0.206 0.000 1.066 138 I CA -0.690 60.681 61.300 0.119 0.000 1.053 138 I CB 2.156 40.060 38.000 -0.160 0.000 1.241 138 I HN 0.378 nan 8.210 nan 0.000 0.421 139 M N 4.257 123.962 119.600 0.174 0.000 2.321 139 M HA 0.652 5.132 4.480 0.000 0.000 0.315 139 M C -0.174 176.233 176.300 0.178 0.000 1.052 139 M CA -0.414 54.986 55.300 0.165 0.000 0.936 139 M CB 2.327 35.067 32.600 0.234 0.000 1.639 139 M HN 0.758 nan 8.290 nan 0.000 0.433 140 G N 1.860 110.680 108.800 0.033 0.000 2.672 140 G HA2 0.610 4.570 3.960 0.000 0.000 0.292 140 G HA3 0.610 4.570 3.960 0.000 0.000 0.292 140 G C -1.929 172.525 174.900 -0.743 0.000 1.375 140 G CA -0.838 44.172 45.100 -0.151 0.000 0.890 140 G HN 0.605 nan 8.290 nan 0.000 0.476 141 L N 0.839 121.509 121.223 -0.921 0.000 2.540 141 L HA 0.248 4.588 4.340 0.000 0.000 0.276 141 L C 0.253 176.854 176.870 -0.448 0.000 1.212 141 L CA -0.374 53.891 54.840 -0.959 0.000 0.893 141 L CB 0.468 42.216 42.059 -0.518 0.000 1.138 141 L HN 0.492 nan 8.230 nan 0.000 0.491 142 D N 3.116 123.283 120.400 -0.389 0.000 2.458 142 D HA -0.014 4.626 4.640 0.000 0.000 0.243 142 D C 1.155 177.362 176.300 -0.154 0.000 1.146 142 D CA -0.043 53.836 54.000 -0.201 0.000 0.877 142 D CB 0.803 41.513 40.800 -0.150 0.000 1.176 142 D HN 0.533 nan 8.370 nan 0.000 0.461 143 L N 6.697 127.846 121.223 -0.122 0.000 1.978 143 L HA -0.159 4.181 4.340 0.000 0.000 0.218 143 L C -0.522 176.269 176.870 -0.132 0.000 1.075 143 L CA 1.925 56.672 54.840 -0.155 0.000 0.767 143 L CB -1.542 40.379 42.059 -0.230 0.000 0.890 143 L HN 0.633 nan 8.230 nan 0.000 0.434 144 P HA -0.139 nan 4.420 nan 0.000 0.223 144 P C 0.253 177.511 177.300 -0.069 0.000 1.144 144 P CA 1.329 64.383 63.100 -0.077 0.000 0.783 144 P CB -0.022 31.647 31.700 -0.051 0.000 0.771 145 D N -0.943 119.408 120.400 -0.082 0.000 2.325 145 D HA 0.229 4.869 4.640 0.000 0.000 0.225 145 D C 1.485 177.743 176.300 -0.069 0.000 1.096 145 D CA 0.522 54.480 54.000 -0.070 0.000 0.844 145 D CB -0.201 40.544 40.800 -0.092 0.000 0.925 145 D HN 0.200 nan 8.370 nan 0.000 0.513 146 G N -0.131 108.623 108.800 -0.076 0.000 2.148 146 G HA2 -0.134 3.826 3.960 0.000 0.000 0.203 146 G HA3 -0.134 3.826 3.960 0.000 0.000 0.203 146 G C 0.727 175.581 174.900 -0.076 0.000 0.993 146 G CA -0.248 44.817 45.100 -0.059 0.000 0.661 146 G HN 0.556 nan 8.290 nan 0.000 0.518 147 G N -0.969 107.767 108.800 -0.107 0.000 2.588 147 G HA2 0.561 4.521 3.960 0.000 0.000 0.281 147 G HA3 0.561 4.521 3.960 0.000 0.000 0.281 147 G C -0.405 174.440 174.900 -0.091 0.000 1.236 147 G CA -0.084 44.973 45.100 -0.072 0.000 0.969 147 G HN 0.661 nan 8.290 nan 0.000 0.504 148 H N -0.800 118.095 119.070 -0.291 0.000 2.499 148 H HA 0.405 4.961 4.556 0.000 0.000 0.340 148 H C 1.500 176.642 175.328 -0.310 0.000 1.148 148 H CA -0.822 54.982 56.048 -0.406 0.000 1.215 148 H CB 1.375 30.719 29.762 -0.696 0.000 1.529 148 H HN 0.210 nan 8.280 nan 0.000 0.510 149 L N 1.547 122.293 121.223 -0.796 0.000 2.021 149 L HA -0.242 4.098 4.340 0.000 0.000 0.215 149 L C 2.250 179.104 176.870 -0.027 0.000 1.074 149 L CA 2.128 56.737 54.840 -0.386 0.000 0.760 149 L CB -0.709 41.113 42.059 -0.395 0.000 0.889 149 L HN 0.840 nan 8.230 nan 0.000 0.433 150 T N -4.726 109.896 114.554 0.113 0.000 3.077 150 T HA -0.181 4.169 4.350 0.000 0.000 0.269 150 T C 1.241 176.266 174.700 0.542 0.000 1.146 150 T CA 1.033 63.389 62.100 0.426 0.000 1.091 150 T CB -0.641 68.556 68.868 0.550 0.000 0.892 150 T HN 0.536 nan 8.240 nan 0.000 0.533 151 H N 0.621 119.854 119.070 0.271 0.000 2.551 151 H HA 0.483 5.040 4.556 0.000 0.000 0.271 151 H C 1.060 176.423 175.328 0.058 0.000 0.984 151 H CA -0.393 55.749 56.048 0.157 0.000 1.164 151 H CB 0.451 30.279 29.762 0.109 0.000 1.437 151 H HN 0.601 nan 8.280 nan 0.000 0.550 152 G N 1.061 109.990 108.800 0.214 0.000 2.634 152 G HA2 0.131 4.091 3.960 0.000 0.000 0.568 152 G HA3 0.131 4.091 3.960 0.000 0.000 0.568 152 G C -1.945 173.093 174.900 0.231 0.000 1.495 152 G CA -0.986 44.214 45.100 0.167 0.000 0.903 152 G HN 0.114 nan 8.290 nan 0.000 0.646 153 F N 4.388 124.349 119.950 0.019 0.000 2.991 153 F HA 0.759 5.286 4.527 0.000 0.000 0.355 153 F C -0.502 175.296 175.800 -0.004 0.000 1.262 153 F CA -1.114 56.880 58.000 -0.010 0.000 1.127 153 F CB 1.214 40.200 39.000 -0.023 0.000 1.447 153 F HN 0.956 nan 8.300 nan 0.000 0.584 154 M N 3.760 123.239 119.600 -0.201 0.000 2.644 154 M HA 0.813 5.293 4.480 0.000 0.000 0.273 154 M C -1.276 174.892 176.300 -0.221 0.000 1.253 154 M CA -0.559 54.550 55.300 -0.318 0.000 0.852 154 M CB 2.383 34.902 32.600 -0.135 0.000 1.708 154 M HN 0.443 nan 8.290 nan 0.000 0.471 155 T N -3.338 111.095 114.554 -0.203 0.000 2.768 155 T HA 0.427 4.777 4.350 0.000 0.000 0.268 155 T C 0.409 175.065 174.700 -0.074 0.000 0.969 155 T CA 0.082 62.115 62.100 -0.111 0.000 1.008 155 T CB 0.850 69.653 68.868 -0.110 0.000 1.371 155 T HN 0.802 nan 8.240 nan 0.000 0.587 156 D N -0.529 119.842 120.400 -0.048 0.000 2.363 156 D HA 0.010 4.650 4.640 0.000 0.000 0.220 156 D C 1.076 177.354 176.300 -0.036 0.000 0.994 156 D CA 0.513 54.493 54.000 -0.033 0.000 0.890 156 D CB 0.049 40.836 40.800 -0.022 0.000 0.906 156 D HN 0.634 nan 8.370 nan 0.000 0.530 157 K N -0.771 119.599 120.400 -0.050 0.000 2.450 157 K HA 0.180 4.500 4.320 0.000 0.000 0.206 157 K C 0.434 176.995 176.600 -0.064 0.000 1.148 157 K CA -0.154 56.104 56.287 -0.048 0.000 1.014 157 K CB 1.522 33.998 32.500 -0.040 0.000 0.966 157 K HN -0.067 nan 8.250 nan 0.000 0.566 158 K N 1.250 121.593 120.400 -0.095 0.000 2.546 158 K HA 0.257 4.577 4.320 0.000 0.000 0.264 158 K C -1.715 174.783 176.600 -0.170 0.000 0.937 158 K CA -0.649 55.567 56.287 -0.119 0.000 0.833 158 K CB 1.777 34.204 32.500 -0.123 0.000 1.378 158 K HN -0.220 nan 8.250 nan 0.000 0.432 159 K N 3.929 124.236 120.400 -0.155 0.000 2.281 159 K HA 0.253 4.573 4.320 0.000 0.000 0.272 159 K C 0.339 176.819 176.600 -0.200 0.000 1.048 159 K CA -0.310 55.876 56.287 -0.169 0.000 0.898 159 K CB 0.962 33.395 32.500 -0.112 0.000 1.128 159 K HN 0.405 nan 8.250 nan 0.000 0.460 160 I N 0.684 121.067 120.570 -0.311 0.000 2.512 160 I HA -0.100 4.070 4.170 0.000 0.000 0.247 160 I C 1.209 177.309 176.117 -0.028 0.000 1.094 160 I CA 0.663 61.816 61.300 -0.244 0.000 1.427 160 I CB -0.010 37.674 38.000 -0.526 0.000 1.149 160 I HN 0.444 nan 8.210 nan 0.000 0.438 161 S N 0.870 116.615 115.700 0.076 0.000 2.576 161 S HA 0.347 4.817 4.470 0.000 0.000 0.276 161 S C 1.444 176.156 174.600 0.186 0.000 1.339 161 S CA -0.050 58.276 58.200 0.210 0.000 1.039 161 S CB 1.106 64.490 63.200 0.306 0.000 0.902 161 S HN 0.308 nan 8.310 nan 0.000 0.516 162 A N 3.984 126.964 122.820 0.268 0.000 2.070 162 A HA -0.011 4.309 4.320 0.000 0.000 0.220 162 A C 2.128 180.109 177.584 0.662 0.000 1.159 162 A CA 2.085 54.362 52.037 0.400 0.000 0.656 162 A CB -1.311 17.962 19.000 0.454 0.000 0.800 162 A HN 0.886 nan 8.150 nan 0.000 0.453 163 T N -0.424 114.491 114.554 0.602 0.000 2.777 163 T HA -0.070 4.280 4.350 0.000 0.000 0.266 163 T C 2.149 177.100 174.700 0.418 0.000 1.040 163 T CA 1.686 64.146 62.100 0.601 0.000 1.141 163 T CB -0.183 68.902 68.868 0.362 0.000 0.868 163 T HN 0.470 nan 8.240 nan 0.000 0.444 164 S N 0.591 116.438 115.700 0.245 0.000 2.461 164 S HA 0.187 4.657 4.470 0.000 0.000 0.228 164 S C 1.932 176.558 174.600 0.044 0.000 1.005 164 S CA 0.338 58.618 58.200 0.133 0.000 0.942 164 S CB -0.223 63.013 63.200 0.060 0.000 0.776 164 S HN 0.395 nan 8.310 nan 0.000 0.514 165 I N -0.034 120.509 120.570 -0.046 0.000 2.277 165 I HA -0.072 4.098 4.170 0.000 0.000 0.243 165 I C 1.357 177.227 176.117 -0.412 0.000 1.094 165 I CA 1.268 62.386 61.300 -0.304 0.000 1.393 165 I CB -0.156 37.495 38.000 -0.582 0.000 1.078 165 I HN 0.239 nan 8.210 nan 0.000 0.417 166 F N -0.301 119.596 119.950 -0.089 0.000 2.664 166 F HA 0.175 4.702 4.527 0.000 0.000 0.296 166 F C 0.545 175.856 175.800 -0.815 0.000 1.125 166 F CA 0.227 57.943 58.000 -0.474 0.000 1.444 166 F CB -0.177 38.497 39.000 -0.543 0.000 1.114 166 F HN -0.167 nan 8.300 nan 0.000 0.576 167 F N -0.859 119.140 119.950 0.083 0.000 2.654 167 F HA 0.478 5.005 4.527 0.000 0.000 0.334 167 F C 0.052 175.901 175.800 0.081 0.000 1.078 167 F CA -1.422 56.598 58.000 0.034 0.000 0.986 167 F CB 0.685 39.679 39.000 -0.010 0.000 1.362 167 F HN -0.442 nan 8.300 nan 0.000 0.498 168 E N 1.357 121.760 120.200 0.339 0.000 2.073 168 E HA 0.293 4.643 4.350 0.000 0.000 0.269 168 E C -0.874 175.946 176.600 0.366 0.000 0.917 168 E CA -0.323 56.260 56.400 0.305 0.000 0.757 168 E CB 1.393 31.262 29.700 0.280 0.000 1.111 168 E HN 0.573 nan 8.360 nan 0.000 0.410 169 S N 2.619 118.473 115.700 0.258 0.000 2.593 169 S HA 0.765 5.235 4.470 0.000 0.000 0.297 169 S C 0.037 174.638 174.600 0.001 0.000 1.112 169 S CA -0.869 57.430 58.200 0.165 0.000 1.043 169 S CB 1.854 65.107 63.200 0.088 0.000 1.054 169 S HN 0.492 nan 8.310 nan 0.000 0.516 170 M N 2.449 121.912 119.600 -0.228 0.000 2.277 170 M HA 0.604 5.084 4.480 0.000 0.000 0.282 170 M C -0.856 175.279 176.300 -0.275 0.000 1.074 170 M CA -0.486 54.541 55.300 -0.456 0.000 0.954 170 M CB 1.847 33.710 32.600 -1.228 0.000 1.672 170 M HN 1.029 nan 8.290 nan 0.000 0.471 171 A N 3.387 126.098 122.820 -0.182 0.000 2.287 171 A HA 0.706 5.026 4.320 0.000 0.000 0.273 171 A C -1.476 176.049 177.584 -0.099 0.000 1.091 171 A CA -0.242 51.695 52.037 -0.167 0.000 0.817 171 A CB 0.351 19.258 19.000 -0.155 0.000 1.069 171 A HN 0.867 nan 8.150 nan 0.000 0.492 172 Y N -1.110 119.121 120.300 -0.115 0.000 2.425 172 Y HA 0.730 5.280 4.550 0.000 0.000 0.344 172 Y C -0.321 175.504 175.900 -0.125 0.000 0.969 172 Y CA -1.238 56.788 58.100 -0.123 0.000 1.052 172 Y CB 1.108 39.491 38.460 -0.129 0.000 1.215 172 Y HN 0.616 nan 8.280 nan 0.000 0.451 173 K N 2.322 122.753 120.400 0.052 0.000 2.210 173 K HA 0.705 5.025 4.320 0.000 0.000 0.236 173 K C -0.566 176.033 176.600 -0.001 0.000 1.016 173 K CA -1.178 55.097 56.287 -0.020 0.000 0.913 173 K CB 2.077 34.563 32.500 -0.024 0.000 1.141 173 K HN 0.678 nan 8.250 nan 0.000 0.462 174 V N -1.117 118.783 119.914 -0.024 0.000 2.837 174 V HA 0.336 4.456 4.120 0.000 0.000 0.310 174 V C -0.178 175.934 176.094 0.029 0.000 1.059 174 V CA -1.035 61.268 62.300 0.005 0.000 1.004 174 V CB 1.488 33.333 31.823 0.037 0.000 1.045 174 V HN 0.680 nan 8.190 nan 0.000 0.465 175 N N 4.125 122.863 118.700 0.063 0.000 2.420 175 N HA 0.304 5.044 4.740 0.000 0.000 0.262 175 N C -1.304 174.243 175.510 0.062 0.000 1.144 175 N CA -2.100 50.986 53.050 0.061 0.000 0.952 175 N CB 1.335 39.872 38.487 0.083 0.000 1.081 175 N HN 0.602 nan 8.380 nan 0.000 0.480 176 P HA -0.057 nan 4.420 nan 0.000 0.225 176 P C -0.132 177.189 177.300 0.034 0.000 1.148 176 P CA 0.929 64.046 63.100 0.028 0.000 0.779 176 P CB 0.532 32.240 31.700 0.014 0.000 0.780 177 D N -0.668 119.758 120.400 0.043 0.000 2.348 177 D HA -0.015 4.625 4.640 0.000 0.000 0.211 177 D C 1.701 178.042 176.300 0.068 0.000 0.998 177 D CA 1.334 55.360 54.000 0.043 0.000 0.873 177 D CB 0.094 40.914 40.800 0.034 0.000 0.925 177 D HN 0.358 nan 8.370 nan 0.000 0.524 178 T N -4.863 109.757 114.554 0.109 0.000 2.966 178 T HA 0.336 4.687 4.350 0.000 0.000 0.254 178 T C 1.683 176.518 174.700 0.225 0.000 0.961 178 T CA 0.688 62.908 62.100 0.200 0.000 0.915 178 T CB 1.038 70.055 68.868 0.249 0.000 1.186 178 T HN 0.081 nan 8.240 nan 0.000 0.505 179 G N 0.827 109.703 108.800 0.127 0.000 2.179 179 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 179 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 179 G C -0.186 174.732 174.900 0.030 0.000 0.977 179 G CA 0.295 45.408 45.100 0.022 0.000 0.641 179 G HN 0.642 nan 8.290 nan 0.000 0.533 180 Y N 0.022 120.397 120.300 0.126 0.000 2.352 180 Y HA 0.635 5.185 4.550 0.000 0.000 0.326 180 Y C 1.444 177.425 175.900 0.134 0.000 1.166 180 Y CA -1.132 57.100 58.100 0.219 0.000 1.182 180 Y CB 0.780 39.341 38.460 0.168 0.000 1.216 180 Y HN 0.128 nan 8.280 nan 0.000 0.474 181 I N 2.709 123.409 120.570 0.217 0.000 2.683 181 I HA -0.107 4.063 4.170 0.000 0.000 0.286 181 I C 0.336 176.302 176.117 -0.252 0.000 1.175 181 I CA 0.433 61.623 61.300 -0.183 0.000 1.429 181 I CB 0.231 37.890 38.000 -0.569 0.000 1.371 181 I HN 0.561 nan 8.210 nan 0.000 0.569 182 D N 7.029 127.330 120.400 -0.165 0.000 2.470 182 D HA 0.008 4.648 4.640 0.000 0.000 0.226 182 D C 0.687 176.881 176.300 -0.177 0.000 1.196 182 D CA 0.055 54.005 54.000 -0.084 0.000 0.979 182 D CB 0.263 41.049 40.800 -0.022 0.000 1.059 182 D HN 0.344 nan 8.370 nan 0.000 0.515 183 Y N 1.372 121.652 120.300 -0.033 0.000 2.274 183 Y HA -0.155 4.395 4.550 0.000 0.000 0.290 183 Y C 2.019 177.872 175.900 -0.079 0.000 1.145 183 Y CA 0.779 58.825 58.100 -0.091 0.000 1.203 183 Y CB 0.094 38.503 38.460 -0.085 0.000 0.984 183 Y HN 0.322 nan 8.280 nan 0.000 0.533 184 D N -0.111 120.342 120.400 0.089 0.000 2.084 184 D HA -0.173 4.467 4.640 0.000 0.000 0.194 184 D C 2.227 178.530 176.300 0.004 0.000 0.990 184 D CA 1.262 55.285 54.000 0.038 0.000 0.826 184 D CB -0.283 40.535 40.800 0.030 0.000 0.971 184 D HN 0.111 nan 8.370 nan 0.000 0.453 185 R N 0.877 121.372 120.500 -0.008 0.000 2.096 185 R HA -0.096 4.244 4.340 0.000 0.000 0.235 185 R C 2.161 178.440 176.300 -0.034 0.000 1.127 185 R CA 0.728 56.818 56.100 -0.017 0.000 0.968 185 R CB -0.988 29.305 30.300 -0.012 0.000 0.861 185 R HN 0.207 nan 8.270 nan 0.000 0.440 186 L N 0.975 122.152 121.223 -0.076 0.000 2.083 186 L HA -0.081 4.259 4.340 0.000 0.000 0.209 186 L C 2.064 178.886 176.870 -0.081 0.000 1.083 186 L CA 2.224 56.988 54.840 -0.127 0.000 0.752 186 L CB -0.792 41.059 42.059 -0.348 0.000 0.899 186 L HN 0.438 nan 8.230 nan 0.000 0.433 187 E N -0.495 119.676 120.200 -0.049 0.000 2.077 187 E HA -0.255 4.096 4.350 0.000 0.000 0.193 187 E C 1.953 178.540 176.600 -0.022 0.000 0.989 187 E CA 1.626 58.011 56.400 -0.025 0.000 0.800 187 E CB -0.077 29.619 29.700 -0.006 0.000 0.746 187 E HN 0.708 nan 8.360 nan 0.000 0.452 188 E N 0.035 120.224 120.200 -0.019 0.000 2.047 188 E HA -0.146 4.204 4.350 0.000 0.000 0.191 188 E C 1.990 178.579 176.600 -0.019 0.000 0.987 188 E CA 0.983 57.373 56.400 -0.016 0.000 0.799 188 E CB -0.060 29.633 29.700 -0.010 0.000 0.752 188 E HN 0.226 nan 8.360 nan 0.000 0.449 189 N N 0.982 119.674 118.700 -0.014 0.000 2.244 189 N HA -0.105 4.636 4.740 0.000 0.000 0.183 189 N C 1.621 177.145 175.510 0.023 0.000 1.016 189 N CA 1.147 54.197 53.050 0.001 0.000 0.866 189 N CB -0.336 38.147 38.487 -0.007 0.000 0.980 189 N HN 0.144 nan 8.380 nan 0.000 0.430 190 A N 1.266 124.093 122.820 0.010 0.000 1.933 190 A HA -0.113 4.207 4.320 0.000 0.000 0.218 190 A C 2.184 179.727 177.584 -0.068 0.000 1.175 190 A CA 1.159 53.213 52.037 0.029 0.000 0.628 190 A CB -0.374 18.634 19.000 0.012 0.000 0.814 190 A HN 0.239 nan 8.150 nan 0.000 0.444 191 R N -0.761 119.678 120.500 -0.102 0.000 2.148 191 R HA 0.044 4.384 4.340 0.000 0.000 0.227 191 R C 1.739 177.803 176.300 -0.394 0.000 1.103 191 R CA 1.232 57.216 56.100 -0.193 0.000 0.983 191 R CB -0.302 29.944 30.300 -0.091 0.000 0.874 191 R HN 0.508 nan 8.270 nan 0.000 0.451 192 L N -1.541 119.543 121.223 -0.232 0.000 2.253 192 L HA 0.035 4.375 4.340 0.000 0.000 0.205 192 L C 1.850 178.652 176.870 -0.114 0.000 1.078 192 L CA 0.326 55.063 54.840 -0.172 0.000 0.805 192 L CB -0.129 41.926 42.059 -0.007 0.000 0.963 192 L HN 0.081 nan 8.230 nan 0.000 0.459 193 F N 0.630 120.470 119.950 -0.183 0.000 2.416 193 F HA 0.007 4.534 4.527 0.000 0.000 0.296 193 F C 0.625 176.456 175.800 0.052 0.000 1.099 193 F CA 0.264 58.247 58.000 -0.028 0.000 1.427 193 F CB -0.210 38.791 39.000 0.001 0.000 1.079 193 F HN 0.184 nan 8.300 nan 0.000 0.536 194 H N -0.539 118.520 119.070 -0.020 0.000 2.750 194 H HA -0.115 4.441 4.556 0.000 0.000 0.327 194 H C -2.392 172.835 175.328 -0.168 0.000 1.199 194 H CA 0.052 56.038 56.048 -0.103 0.000 1.149 194 H CB -1.881 27.796 29.762 -0.141 0.000 1.543 194 H HN 0.196 nan 8.280 nan 0.000 0.427 195 P HA 0.023 nan 4.420 nan 0.000 0.272 195 P C 0.378 177.712 177.300 0.056 0.000 1.223 195 P CA -0.168 62.988 63.100 0.093 0.000 0.784 195 P CB 1.262 33.110 31.700 0.247 0.000 0.923 196 K N 0.859 121.290 120.400 0.051 0.000 2.352 196 K HA 0.222 4.542 4.320 0.000 0.000 0.194 196 K C 0.542 177.208 176.600 0.109 0.000 1.038 196 K CA 0.229 56.547 56.287 0.052 0.000 1.023 196 K CB 0.338 32.871 32.500 0.054 0.000 0.840 196 K HN 0.419 nan 8.250 nan 0.000 0.519 197 L N 0.807 122.101 121.223 0.119 0.000 2.526 197 L HA 0.458 4.798 4.340 0.000 0.000 0.263 197 L C -1.763 175.190 176.870 0.139 0.000 0.943 197 L CA -0.606 54.327 54.840 0.156 0.000 0.859 197 L CB 1.787 43.926 42.059 0.134 0.000 1.313 197 L HN -0.133 nan 8.230 nan 0.000 0.406 198 I N 5.208 125.874 120.570 0.160 0.000 2.433 198 I HA 0.436 4.606 4.170 0.000 0.000 0.292 198 I C -0.576 175.626 176.117 0.142 0.000 1.001 198 I CA -0.624 60.766 61.300 0.151 0.000 1.119 198 I CB 2.050 40.125 38.000 0.125 0.000 1.289 198 I HN 0.472 nan 8.210 nan 0.000 0.438 199 I N 5.245 125.887 120.570 0.121 0.000 2.336 199 I HA 0.436 4.606 4.170 0.000 0.000 0.292 199 I C 0.256 176.418 176.117 0.076 0.000 0.991 199 I CA -0.408 60.906 61.300 0.023 0.000 1.227 199 I CB 1.659 39.527 38.000 -0.221 0.000 1.366 199 I HN 0.599 nan 8.210 nan 0.000 0.466 200 A N 5.446 128.327 122.820 0.101 0.000 2.394 200 A HA 0.834 5.154 4.320 0.000 0.000 0.333 200 A C 0.072 177.754 177.584 0.164 0.000 1.397 200 A CA -0.349 51.793 52.037 0.176 0.000 0.884 200 A CB 0.298 19.488 19.000 0.317 0.000 1.147 200 A HN 0.912 nan 8.150 nan 0.000 0.505 201 G N 0.656 109.527 108.800 0.119 0.000 2.556 201 G HA2 0.646 4.606 3.960 0.000 0.000 0.294 201 G HA3 0.646 4.606 3.960 0.000 0.000 0.294 201 G C -0.760 174.287 174.900 0.245 0.000 1.516 201 G CA 0.213 45.430 45.100 0.195 0.000 0.824 201 G HN 1.393 nan 8.290 nan 0.000 0.535 202 T N -2.187 112.492 114.554 0.209 0.000 2.841 202 T HA 0.751 5.101 4.350 0.000 0.000 0.296 202 T C 0.484 175.239 174.700 0.092 0.000 1.166 202 T CA 0.088 62.266 62.100 0.130 0.000 1.007 202 T CB 1.824 70.731 68.868 0.065 0.000 1.253 202 T HN 0.542 nan 8.240 nan 0.000 0.511 203 S N -0.794 114.914 115.700 0.014 0.000 2.539 203 S HA 0.268 4.738 4.470 0.000 0.000 0.226 203 S C 0.463 174.900 174.600 -0.271 0.000 1.054 203 S CA -0.122 58.042 58.200 -0.060 0.000 0.910 203 S CB 0.254 63.521 63.200 0.112 0.000 0.818 203 S HN 0.907 nan 8.310 nan 0.000 0.490 204 C N 1.957 121.174 119.300 -0.138 0.000 3.432 204 C HA 0.598 5.058 4.460 0.000 0.000 0.242 204 C C -1.708 173.279 174.990 -0.005 0.000 1.152 204 C CA -0.502 58.440 59.018 -0.128 0.000 1.242 204 C CB -0.982 26.702 27.740 -0.093 0.000 1.802 204 C HN 0.486 nan 8.230 nan 0.000 0.577 205 Y N 2.782 122.973 120.300 -0.182 0.000 2.361 205 Y HA 0.442 4.992 4.550 0.000 0.000 0.328 205 Y C 0.732 176.541 175.900 -0.151 0.000 1.044 205 Y CA -0.039 57.971 58.100 -0.149 0.000 1.085 205 Y CB 1.963 40.362 38.460 -0.102 0.000 1.194 205 Y HN 0.462 nan 8.280 nan 0.000 0.438 206 S N 4.321 119.744 115.700 -0.462 0.000 2.593 206 S HA 0.336 4.806 4.470 0.000 0.000 0.217 206 S C 0.270 174.631 174.600 -0.399 0.000 0.966 206 S CA -0.155 57.819 58.200 -0.375 0.000 0.914 206 S CB -0.089 62.915 63.200 -0.327 0.000 0.776 206 S HN 0.447 nan 8.310 nan 0.000 0.523 207 R N 1.724 121.833 120.500 -0.652 0.000 2.832 207 R HA 0.483 4.823 4.340 0.000 0.000 0.271 207 R C -0.571 175.722 176.300 -0.012 0.000 0.996 207 R CA -0.839 55.042 56.100 -0.363 0.000 0.977 207 R CB 0.257 30.244 30.300 -0.521 0.000 1.168 207 R HN 0.227 nan 8.270 nan 0.000 0.482 208 N N 1.089 119.827 118.700 0.064 0.000 2.453 208 N HA 0.126 4.866 4.740 0.000 0.000 0.253 208 N C -0.121 175.454 175.510 0.109 0.000 1.252 208 N CA 0.067 53.175 53.050 0.096 0.000 0.917 208 N CB 0.630 39.161 38.487 0.075 0.000 1.117 208 N HN 0.272 nan 8.380 nan 0.000 0.442 209 L N 0.738 121.903 121.223 -0.096 0.000 2.334 209 L HA 0.157 4.497 4.340 0.000 0.000 0.277 209 L C 0.818 177.405 176.870 -0.471 0.000 1.075 209 L CA -0.599 54.081 54.840 -0.268 0.000 0.804 209 L CB 0.743 42.433 42.059 -0.615 0.000 1.174 209 L HN 0.358 nan 8.230 nan 0.000 0.438 210 D N 1.808 122.039 120.400 -0.281 0.000 2.551 210 D HA 0.007 4.647 4.640 0.000 0.000 0.223 210 D C 0.751 176.824 176.300 -0.378 0.000 1.144 210 D CA 0.050 53.797 54.000 -0.421 0.000 1.025 210 D CB 0.244 40.572 40.800 -0.786 0.000 1.085 210 D HN 0.310 nan 8.370 nan 0.000 0.506 211 Y N 0.978 121.177 120.300 -0.167 0.000 2.207 211 Y HA -0.110 4.440 4.550 0.000 0.000 0.287 211 Y C 2.539 178.211 175.900 -0.381 0.000 1.156 211 Y CA 1.364 59.358 58.100 -0.177 0.000 1.182 211 Y CB -0.611 37.817 38.460 -0.054 0.000 0.979 211 Y HN 0.393 nan 8.280 nan 0.000 0.521 212 G N -0.474 107.954 108.800 -0.621 0.000 2.418 212 G HA2 -0.321 3.639 3.960 0.000 0.000 0.217 212 G HA3 -0.321 3.639 3.960 0.000 0.000 0.217 212 G C 1.770 176.524 174.900 -0.242 0.000 1.158 212 G CA 1.135 45.858 45.100 -0.628 0.000 0.771 212 G HN 0.250 nan 8.290 nan 0.000 0.545 213 R N 0.305 120.643 120.500 -0.269 0.000 2.081 213 R HA 0.112 4.452 4.340 0.000 0.000 0.235 213 R C 2.553 178.791 176.300 -0.104 0.000 1.131 213 R CA 1.090 57.058 56.100 -0.219 0.000 0.960 213 R CB -0.725 29.322 30.300 -0.421 0.000 0.856 213 R HN 0.393 nan 8.270 nan 0.000 0.436 214 L N 0.020 121.200 121.223 -0.071 0.000 2.131 214 L HA -0.106 4.234 4.340 0.000 0.000 0.210 214 L C 2.540 179.435 176.870 0.042 0.000 1.092 214 L CA 1.413 56.266 54.840 0.023 0.000 0.759 214 L CB -0.388 41.716 42.059 0.076 0.000 0.903 214 L HN 0.164 nan 8.230 nan 0.000 0.435 215 R N 0.884 121.406 120.500 0.038 0.000 2.092 215 R HA -0.129 4.211 4.340 0.000 0.000 0.231 215 R C 2.091 178.428 176.300 0.063 0.000 1.119 215 R CA 1.507 57.646 56.100 0.065 0.000 0.970 215 R CB -0.189 30.164 30.300 0.088 0.000 0.864 215 R HN 0.211 nan 8.270 nan 0.000 0.440 216 K N -0.002 120.416 120.400 0.029 0.000 2.026 216 K HA -0.095 4.225 4.320 0.000 0.000 0.208 216 K C 2.110 178.726 176.600 0.026 0.000 1.048 216 K CA 1.960 58.261 56.287 0.024 0.000 0.929 216 K CB -0.302 32.196 32.500 -0.003 0.000 0.713 216 K HN 0.195 nan 8.250 nan 0.000 0.439 217 I N 1.096 121.677 120.570 0.018 0.000 2.226 217 I HA -0.296 3.874 4.170 0.000 0.000 0.245 217 I C 2.579 178.717 176.117 0.036 0.000 1.100 217 I CA 1.126 62.436 61.300 0.016 0.000 1.374 217 I CB -0.480 37.521 38.000 0.001 0.000 1.057 217 I HN 0.183 nan 8.210 nan 0.000 0.413 218 A N 0.759 123.618 122.820 0.064 0.000 1.858 218 A HA -0.254 4.066 4.320 0.000 0.000 0.216 218 A C 2.004 179.636 177.584 0.081 0.000 1.190 218 A CA 2.166 54.261 52.037 0.097 0.000 0.617 218 A CB -0.716 18.389 19.000 0.175 0.000 0.827 218 A HN 0.337 nan 8.150 nan 0.000 0.443 219 D N -0.680 119.777 120.400 0.096 0.000 2.133 219 D HA -0.187 4.453 4.640 0.000 0.000 0.195 219 D C 1.863 178.180 176.300 0.027 0.000 0.997 219 D CA 1.512 55.552 54.000 0.066 0.000 0.840 219 D CB -0.449 40.397 40.800 0.077 0.000 0.947 219 D HN 0.714 nan 8.370 nan 0.000 0.452 220 E N 0.295 120.511 120.200 0.027 0.000 2.097 220 E HA -0.171 4.179 4.350 0.000 0.000 0.196 220 E C 1.084 177.692 176.600 0.012 0.000 1.000 220 E CA 0.900 57.309 56.400 0.015 0.000 0.804 220 E CB 0.120 29.827 29.700 0.011 0.000 0.740 220 E HN 0.204 nan 8.360 nan 0.000 0.454 221 N N -0.731 117.979 118.700 0.016 0.000 2.322 221 N HA 0.026 4.766 4.740 0.000 0.000 0.194 221 N C 0.712 176.224 175.510 0.003 0.000 1.126 221 N CA 0.785 53.848 53.050 0.022 0.000 0.845 221 N CB 1.164 39.668 38.487 0.028 0.000 0.976 221 N HN 0.305 nan 8.380 nan 0.000 0.475 222 G N 0.751 109.537 108.800 -0.023 0.000 2.168 222 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 222 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 222 G C 0.257 175.066 174.900 -0.151 0.000 0.997 222 G CA 0.544 45.593 45.100 -0.084 0.000 0.708 222 G HN 0.592 nan 8.290 nan 0.000 0.520 223 A N -0.987 121.783 122.820 -0.082 0.000 2.264 223 A HA 0.798 5.118 4.320 0.000 0.000 0.304 223 A C -0.096 177.446 177.584 -0.069 0.000 1.100 223 A CA -0.628 51.364 52.037 -0.075 0.000 0.839 223 A CB 0.718 19.744 19.000 0.044 0.000 1.121 223 A HN 0.505 nan 8.150 nan 0.000 0.496 224 Y N -0.469 119.864 120.300 0.054 0.000 2.301 224 Y HA 0.438 4.988 4.550 0.000 0.000 0.325 224 Y C 0.139 176.201 175.900 0.270 0.000 1.203 224 Y CA -0.153 58.007 58.100 0.099 0.000 1.255 224 Y CB 1.305 39.787 38.460 0.037 0.000 1.232 224 Y HN 0.508 nan 8.280 nan 0.000 0.501 225 L N 5.324 126.974 121.223 0.711 0.000 2.294 225 L HA 0.495 4.835 4.340 0.000 0.000 0.283 225 L C -0.844 176.189 176.870 0.271 0.000 1.015 225 L CA -0.566 54.486 54.840 0.353 0.000 0.831 225 L CB 0.657 42.831 42.059 0.190 0.000 1.217 225 L HN 0.700 nan 8.230 nan 0.000 0.420 226 M N 5.059 124.775 119.600 0.193 0.000 2.227 226 M HA 0.767 5.247 4.480 0.000 0.000 0.335 226 M C -0.869 175.475 176.300 0.073 0.000 1.053 226 M CA -0.460 54.913 55.300 0.122 0.000 0.973 226 M CB 1.479 34.151 32.600 0.119 0.000 1.623 226 M HN 0.771 nan 8.290 nan 0.000 0.434 227 A N 3.238 126.062 122.820 0.008 0.000 2.312 227 A HA 0.484 4.804 4.320 0.000 0.000 0.326 227 A C -1.027 176.547 177.584 -0.018 0.000 1.172 227 A CA -0.526 51.509 52.037 -0.003 0.000 0.821 227 A CB 0.741 19.638 19.000 -0.172 0.000 1.166 227 A HN 0.785 nan 8.150 nan 0.000 0.493 228 D N 3.026 123.450 120.400 0.040 0.000 2.458 228 D HA 0.272 4.912 4.640 0.000 0.000 0.258 228 D C 0.670 177.023 176.300 0.089 0.000 1.134 228 D CA -0.353 53.693 54.000 0.076 0.000 0.915 228 D CB 0.545 41.462 40.800 0.195 0.000 1.028 228 D HN 0.525 nan 8.370 nan 0.000 0.508 229 M N 1.007 120.621 119.600 0.022 0.000 2.568 229 M HA 0.340 4.820 4.480 0.000 0.000 0.226 229 M C 1.496 177.828 176.300 0.053 0.000 1.148 229 M CA -0.201 55.126 55.300 0.044 0.000 1.007 229 M CB 0.479 33.054 32.600 -0.043 0.000 1.651 229 M HN 0.109 nan 8.290 nan 0.000 0.488 230 A N 1.221 124.058 122.820 0.028 0.000 1.923 230 A HA -0.291 4.029 4.320 0.000 0.000 0.222 230 A C 1.827 179.364 177.584 -0.078 0.000 1.258 230 A CA 2.649 54.654 52.037 -0.053 0.000 0.670 230 A CB -1.422 17.511 19.000 -0.113 0.000 0.834 230 A HN 0.761 nan 8.150 nan 0.000 0.470 231 H N -0.714 118.353 119.070 -0.006 0.000 2.428 231 H HA 0.095 4.651 4.556 0.000 0.000 0.296 231 H C 1.727 176.976 175.328 -0.131 0.000 1.062 231 H CA 1.600 57.650 56.048 0.002 0.000 1.350 231 H CB -0.031 29.831 29.762 0.167 0.000 1.403 231 H HN 0.688 nan 8.280 nan 0.000 0.533 232 I N -1.433 119.185 120.570 0.080 0.000 3.976 232 I HA 0.170 4.340 4.170 0.000 0.000 0.337 232 I C 1.893 178.047 176.117 0.062 0.000 1.359 232 I CA 0.339 61.652 61.300 0.021 0.000 1.098 232 I CB 0.273 38.347 38.000 0.124 0.000 1.027 232 I HN 0.078 nan 8.210 nan 0.000 0.394 233 S N 1.935 117.681 115.700 0.078 0.000 2.392 233 S HA -0.183 4.287 4.470 0.000 0.000 0.232 233 S C 1.982 176.725 174.600 0.239 0.000 1.041 233 S CA 1.672 59.980 58.200 0.179 0.000 1.026 233 S CB -1.409 61.885 63.200 0.157 0.000 0.845 233 S HN 0.589 nan 8.310 nan 0.000 0.465 234 G N 1.350 110.254 108.800 0.174 0.000 2.394 234 G HA2 0.064 4.024 3.960 0.000 0.000 0.215 234 G HA3 0.064 4.024 3.960 0.000 0.000 0.215 234 G C 1.332 176.344 174.900 0.186 0.000 1.165 234 G CA 0.777 46.046 45.100 0.282 0.000 0.784 234 G HN 0.464 nan 8.290 nan 0.000 0.535 235 L N 0.699 121.958 121.223 0.059 0.000 2.083 235 L HA -0.029 4.311 4.340 0.000 0.000 0.209 235 L C 3.028 179.942 176.870 0.073 0.000 1.083 235 L CA 0.785 55.637 54.840 0.020 0.000 0.752 235 L CB -0.736 41.320 42.059 -0.005 0.000 0.899 235 L HN 0.075 nan 8.230 nan 0.000 0.433 236 V N -1.278 118.714 119.914 0.130 0.000 2.295 236 V HA -0.268 3.852 4.120 0.000 0.000 0.246 236 V C 2.436 178.593 176.094 0.105 0.000 1.049 236 V CA 1.534 63.934 62.300 0.167 0.000 1.024 236 V CB -0.453 31.543 31.823 0.287 0.000 0.648 236 V HN 0.236 nan 8.190 nan 0.000 0.447 237 V N 0.483 120.419 119.914 0.037 0.000 2.287 237 V HA -0.281 3.839 4.120 0.000 0.000 0.248 237 V C 2.578 178.648 176.094 -0.039 0.000 1.053 237 V CA 2.179 64.361 62.300 -0.197 0.000 1.027 237 V CB -1.136 30.546 31.823 -0.235 0.000 0.646 237 V HN 0.578 nan 8.190 nan 0.000 0.447 238 A N -0.608 122.258 122.820 0.076 0.000 2.209 238 A HA 0.314 4.634 4.320 0.000 0.000 0.212 238 A C 1.973 179.569 177.584 0.019 0.000 1.158 238 A CA 1.068 53.141 52.037 0.061 0.000 0.742 238 A CB -0.774 18.247 19.000 0.033 0.000 0.790 238 A HN 1.357 nan 8.150 nan 0.000 0.472 239 G N -1.798 107.014 108.800 0.020 0.000 2.176 239 G HA2 -0.237 3.723 3.960 0.000 0.000 0.252 239 G HA3 -0.237 3.723 3.960 0.000 0.000 0.252 239 G C 0.694 175.607 174.900 0.021 0.000 1.024 239 G CA 0.427 45.540 45.100 0.022 0.000 0.755 239 G HN 0.679 nan 8.290 nan 0.000 0.507 240 V N -0.637 119.287 119.914 0.016 0.000 3.235 240 V HA 0.262 4.382 4.120 0.000 0.000 0.259 240 V C 1.407 177.516 176.094 0.025 0.000 1.133 240 V CA 1.587 63.889 62.300 0.004 0.000 1.128 240 V CB 0.388 32.193 31.823 -0.029 0.000 0.757 240 V HN 1.160 nan 8.190 nan 0.000 0.469 241 V N -3.844 116.102 119.914 0.053 0.000 3.049 241 V HA 0.666 4.786 4.120 0.000 0.000 0.309 241 V C -3.029 173.130 176.094 0.109 0.000 1.148 241 V CA -2.775 59.574 62.300 0.081 0.000 0.990 241 V CB 1.420 33.304 31.823 0.101 0.000 1.039 241 V HN -0.007 nan 8.190 nan 0.000 0.430 242 P HA 0.176 nan 4.420 nan 0.000 0.266 242 P C -0.156 177.256 177.300 0.186 0.000 1.195 242 P CA 0.479 63.676 63.100 0.161 0.000 0.768 242 P CB 0.501 32.316 31.700 0.193 0.000 0.838 243 S N 3.219 119.001 115.700 0.136 0.000 2.545 243 S HA 0.264 4.734 4.470 0.000 0.000 0.275 243 S C -1.371 173.159 174.600 -0.116 0.000 1.299 243 S CA -1.415 56.832 58.200 0.077 0.000 1.048 243 S CB 0.090 63.359 63.200 0.116 0.000 0.938 243 S HN 0.326 nan 8.310 nan 0.000 0.496 244 P HA 0.104 nan 4.420 nan 0.000 0.245 244 P C 0.654 177.490 177.300 -0.772 0.000 1.206 244 P CA 0.379 62.805 63.100 -1.123 0.000 0.781 244 P CB -0.050 30.868 31.700 -1.304 0.000 0.994 245 F N 0.798 120.501 119.950 -0.411 0.000 2.699 245 F HA 0.045 4.572 4.527 0.000 0.000 0.298 245 F C 2.434 178.211 175.800 -0.038 0.000 1.154 245 F CA 0.813 58.603 58.000 -0.351 0.000 1.457 245 F CB -0.463 38.114 39.000 -0.704 0.000 1.106 245 F HN 0.005 nan 8.300 nan 0.000 0.585 246 E N -0.660 119.530 120.200 -0.017 0.000 2.112 246 E HA -0.145 4.205 4.350 0.000 0.000 0.190 246 E C 1.156 177.532 176.600 -0.373 0.000 0.979 246 E CA 1.164 57.463 56.400 -0.168 0.000 0.814 246 E CB 0.081 29.620 29.700 -0.269 0.000 0.762 246 E HN 0.510 nan 8.360 nan 0.000 0.460 247 H N -2.046 117.020 119.070 -0.006 0.000 3.058 247 H HA 0.260 4.816 4.556 0.000 0.000 0.258 247 H C 0.222 175.483 175.328 -0.112 0.000 1.015 247 H CA -0.338 55.699 56.048 -0.018 0.000 1.210 247 H CB 0.411 30.195 29.762 0.037 0.000 1.481 247 H HN 0.037 nan 8.280 nan 0.000 0.492 248 C N 0.769 120.050 119.300 -0.033 0.000 2.520 248 C HA 0.137 4.597 4.460 0.000 0.000 0.376 248 C C 1.485 176.431 174.990 -0.073 0.000 1.268 248 C CA -0.200 58.758 59.018 -0.100 0.000 2.414 248 C CB 0.879 28.547 27.740 -0.119 0.000 2.521 248 C HN 0.641 nan 8.230 nan 0.000 0.618 249 H N -0.714 118.431 119.070 0.125 0.000 2.486 249 H HA 0.281 4.837 4.556 0.000 0.000 0.287 249 H C 0.053 175.392 175.328 0.018 0.000 1.010 249 H CA 0.586 56.643 56.048 0.014 0.000 1.324 249 H CB 0.186 30.047 29.762 0.165 0.000 1.446 249 H HN 0.338 nan 8.280 nan 0.000 0.537 250 V N 0.989 121.036 119.914 0.222 0.000 2.841 250 V HA 0.360 4.480 4.120 0.000 0.000 0.310 250 V C -0.971 175.185 176.094 0.103 0.000 1.090 250 V CA -0.984 61.446 62.300 0.216 0.000 0.930 250 V CB 2.978 34.866 31.823 0.108 0.000 1.014 250 V HN -0.127 nan 8.190 nan 0.000 0.425 251 V N 2.663 122.636 119.914 0.097 0.000 2.482 251 V HA 0.604 4.724 4.120 0.000 0.000 0.295 251 V C 0.134 176.273 176.094 0.074 0.000 1.026 251 V CA -0.384 61.836 62.300 -0.133 0.000 0.856 251 V CB 2.065 33.435 31.823 -0.755 0.000 1.001 251 V HN 1.069 nan 8.190 nan 0.000 0.424 252 T N 0.751 115.322 114.554 0.029 0.000 2.944 252 T HA 0.858 5.208 4.350 0.000 0.000 0.284 252 T C -0.270 174.460 174.700 0.050 0.000 1.010 252 T CA -0.640 61.495 62.100 0.057 0.000 1.025 252 T CB 2.186 71.063 68.868 0.015 0.000 1.079 252 T HN 0.767 nan 8.240 nan 0.000 0.516 253 T N 0.429 115.015 114.554 0.054 0.000 2.827 253 T HA 0.534 4.884 4.350 0.000 0.000 0.328 253 T C -0.547 174.155 174.700 0.004 0.000 1.598 253 T CA -0.383 61.737 62.100 0.033 0.000 1.043 253 T CB 1.174 70.090 68.868 0.080 0.000 1.447 253 T HN 1.177 nan 8.240 nan 0.000 0.491 254 T N 0.317 114.829 114.554 -0.070 0.000 2.847 254 T HA 0.474 4.824 4.350 0.000 0.000 0.279 254 T C 1.384 176.045 174.700 -0.065 0.000 0.984 254 T CA 0.179 62.201 62.100 -0.131 0.000 0.988 254 T CB 0.910 69.476 68.868 -0.502 0.000 1.040 254 T HN 0.785 nan 8.240 nan 0.000 0.528 255 T N -2.993 111.585 114.554 0.040 0.000 3.023 255 T HA 0.137 4.487 4.350 0.000 0.000 0.253 255 T C 1.051 175.822 174.700 0.117 0.000 1.038 255 T CA -0.192 61.962 62.100 0.089 0.000 0.962 255 T CB -0.339 68.592 68.868 0.104 0.000 1.018 255 T HN 0.845 nan 8.240 nan 0.000 0.521 256 H N 1.458 120.534 119.070 0.011 0.000 3.505 256 H HA 0.545 5.101 4.556 0.000 0.000 0.129 256 H C 0.923 176.247 175.328 -0.006 0.000 1.572 256 H CA -0.377 55.673 56.048 0.003 0.000 1.611 256 H CB -0.544 29.210 29.762 -0.013 0.000 0.783 256 H HN 0.055 nan 8.280 nan 0.000 0.769 257 K N -1.151 119.229 120.400 -0.032 0.000 1.931 257 K HA -0.271 4.049 4.320 0.000 0.000 0.126 257 K C 1.595 178.178 176.600 -0.028 0.000 1.372 257 K CA 2.306 58.518 56.287 -0.125 0.000 0.483 257 K CB -1.695 30.596 32.500 -0.348 0.000 0.562 257 K HN 0.819 nan 8.250 nan 0.000 0.923 258 T N -0.230 114.285 114.554 -0.065 0.000 3.051 258 T HA -0.046 4.304 4.350 0.000 0.000 0.269 258 T C 1.601 176.425 174.700 0.207 0.000 1.127 258 T CA 1.380 63.501 62.100 0.035 0.000 1.107 258 T CB 0.052 68.853 68.868 -0.111 0.000 0.898 258 T HN 0.351 nan 8.240 nan 0.000 0.517 259 L N 0.785 122.106 121.223 0.163 0.000 2.418 259 L HA 0.450 4.790 4.340 0.000 0.000 0.218 259 L C 1.575 178.567 176.870 0.203 0.000 1.125 259 L CA 0.802 55.773 54.840 0.220 0.000 0.835 259 L CB -0.840 41.291 42.059 0.121 0.000 0.953 259 L HN 0.373 nan 8.230 nan 0.000 0.454 260 R N -1.073 119.531 120.500 0.174 0.000 3.776 260 R HA -0.151 4.189 4.340 0.000 0.000 0.312 260 R C 0.579 176.939 176.300 0.100 0.000 1.181 260 R CA 0.429 56.617 56.100 0.147 0.000 0.836 260 R CB -1.809 28.604 30.300 0.189 0.000 1.324 260 R HN 0.579 nan 8.270 nan 0.000 0.501 261 G N -0.551 108.307 108.800 0.097 0.000 2.671 261 G HA2 0.487 4.447 3.960 0.000 0.000 0.275 261 G HA3 0.487 4.447 3.960 0.000 0.000 0.275 261 G C 0.478 175.432 174.900 0.089 0.000 1.368 261 G CA -0.246 44.897 45.100 0.072 0.000 1.044 261 G HN 0.462 nan 8.290 nan 0.000 0.543 262 C N -1.728 117.607 119.300 0.059 0.000 2.553 262 C HA 0.662 5.122 4.460 0.000 0.000 0.345 262 C C 0.764 175.767 174.990 0.021 0.000 1.369 262 C CA -1.242 57.792 59.018 0.026 0.000 2.447 262 C CB -0.151 27.596 27.740 0.011 0.000 2.358 262 C HN 0.642 nan 8.230 nan 0.000 0.676 263 R N 1.407 121.842 120.500 -0.109 0.000 2.370 263 R HA 0.542 4.882 4.340 0.000 0.000 0.309 263 R C 0.260 176.556 176.300 -0.007 0.000 1.059 263 R CA 0.909 56.871 56.100 -0.230 0.000 0.981 263 R CB 0.268 30.301 30.300 -0.445 0.000 0.972 263 R HN 1.053 nan 8.270 nan 0.000 0.437 264 A N 1.598 124.501 122.820 0.139 0.000 2.428 264 A HA 0.749 5.069 4.320 0.000 0.000 0.304 264 A C -1.244 176.410 177.584 0.117 0.000 1.085 264 A CA -0.296 51.798 52.037 0.095 0.000 0.605 264 A CB 1.077 20.102 19.000 0.042 0.000 1.393 264 A HN 0.714 nan 8.150 nan 0.000 0.541 265 G N -1.048 107.779 108.800 0.045 0.000 2.690 265 G HA2 0.684 4.644 3.960 0.000 0.000 0.291 265 G HA3 0.684 4.644 3.960 0.000 0.000 0.291 265 G C -1.193 173.690 174.900 -0.028 0.000 1.403 265 G CA -0.541 44.571 45.100 0.021 0.000 0.864 265 G HN 0.753 nan 8.290 nan 0.000 0.480 266 M N 0.099 119.674 119.600 -0.042 0.000 2.593 266 M HA 0.545 5.025 4.480 0.000 0.000 0.290 266 M C -1.265 174.963 176.300 -0.120 0.000 1.244 266 M CA -0.578 54.640 55.300 -0.138 0.000 0.857 266 M CB 3.154 35.603 32.600 -0.251 0.000 1.738 266 M HN 0.273 nan 8.290 nan 0.000 0.461 267 I N 1.824 122.289 120.570 -0.176 0.000 2.439 267 I HA 0.397 4.567 4.170 0.000 0.000 0.283 267 I C -1.416 174.655 176.117 -0.078 0.000 1.023 267 I CA -0.293 60.986 61.300 -0.033 0.000 1.100 267 I CB 1.175 39.203 38.000 0.047 0.000 1.238 267 I HN 0.477 nan 8.210 nan 0.000 0.445 268 F N 6.503 126.489 119.950 0.061 0.000 2.394 268 F HA 0.516 5.043 4.527 0.000 0.000 0.340 268 F C -0.130 175.829 175.800 0.265 0.000 1.105 268 F CA -0.372 57.659 58.000 0.053 0.000 1.124 268 F CB 1.072 40.141 39.000 0.115 0.000 1.145 268 F HN 0.307 nan 8.300 nan 0.000 0.505 269 Y N -0.153 120.475 120.300 0.547 0.000 2.544 269 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 269 Y C -0.721 175.138 175.900 -0.069 0.000 1.062 269 Y CA -1.992 56.243 58.100 0.225 0.000 1.023 269 Y CB 0.879 39.342 38.460 0.005 0.000 1.308 269 Y HN 0.397 nan 8.280 nan 0.000 0.457 270 R N 2.498 122.701 120.500 -0.495 0.000 2.582 270 R HA 0.531 4.871 4.340 0.000 0.000 0.271 270 R C -0.512 175.478 176.300 -0.517 0.000 1.078 270 R CA -0.596 54.878 56.100 -1.044 0.000 1.127 270 R CB 0.929 30.307 30.300 -1.538 0.000 1.038 270 R HN 0.851 nan 8.270 nan 0.000 0.500 271 R N -0.585 119.692 120.500 -0.371 0.000 2.912 271 R HA 0.538 4.878 4.340 0.000 0.000 0.262 271 R C -0.004 176.346 176.300 0.083 0.000 1.057 271 R CA -0.065 56.015 56.100 -0.033 0.000 0.981 271 R CB 2.073 32.387 30.300 0.023 0.000 1.201 271 R HN 0.853 nan 8.270 nan 0.000 0.484 272 G N 0.022 108.917 108.800 0.159 0.000 2.484 272 G HA2 -0.232 3.728 3.960 0.000 0.000 0.225 272 G HA3 -0.232 3.728 3.960 0.000 0.000 0.225 272 G C -1.133 173.862 174.900 0.159 0.000 1.250 272 G CA -0.493 44.692 45.100 0.142 0.000 0.926 272 G HN 0.435 nan 8.290 nan 0.000 0.581 273 V N 1.577 121.534 119.914 0.072 0.000 2.439 273 V HA 0.568 4.688 4.120 0.000 0.000 0.282 273 V C 1.602 177.564 176.094 -0.220 0.000 1.039 273 V CA 0.664 62.918 62.300 -0.077 0.000 0.913 273 V CB 1.375 33.169 31.823 -0.047 0.000 0.983 273 V HN 0.904 nan 8.190 nan 0.000 0.460 274 R N 2.581 122.708 120.500 -0.620 0.000 2.090 274 R HA 0.154 4.494 4.340 0.000 0.000 0.219 274 R C 0.969 177.112 176.300 -0.262 0.000 1.100 274 R CA 1.072 56.679 56.100 -0.822 0.000 0.991 274 R CB 0.362 29.961 30.300 -1.168 0.000 0.893 274 R HN 0.749 nan 8.270 nan 0.000 0.443 284 I N 2.076 122.595 120.570 -0.085 0.000 2.433 284 I HA 0.566 4.736 4.170 0.000 0.000 0.292 284 I C -0.734 175.284 176.117 -0.165 0.000 1.001 284 I CA -0.916 60.317 61.300 -0.113 0.000 1.119 284 I CB 1.049 38.974 38.000 -0.127 0.000 1.289 284 I HN 0.325 nan 8.210 nan 0.000 0.438 285 L N 4.378 125.517 121.223 -0.141 0.000 2.347 285 L HA 0.538 4.878 4.340 0.000 0.000 0.268 285 L C -0.877 175.894 176.870 -0.166 0.000 1.019 285 L CA -1.037 53.714 54.840 -0.148 0.000 0.806 285 L CB 1.158 43.193 42.059 -0.041 0.000 1.339 285 L HN 0.455 nan 8.230 nan 0.000 0.463 286 Y N 0.022 120.319 120.300 -0.005 0.000 2.310 286 Y HA 0.163 4.713 4.550 0.000 0.000 0.326 286 Y C 0.734 176.627 175.900 -0.013 0.000 1.151 286 Y CA -0.182 57.920 58.100 0.002 0.000 1.195 286 Y CB 0.781 39.236 38.460 -0.009 0.000 1.210 286 Y HN 0.482 nan 8.280 nan 0.000 0.483 287 N N 2.644 121.444 118.700 0.167 0.000 2.238 287 N HA 0.133 4.873 4.740 0.000 0.000 0.235 287 N C 0.682 176.174 175.510 -0.029 0.000 1.209 287 N CA 0.078 53.158 53.050 0.051 0.000 0.879 287 N CB 0.325 38.836 38.487 0.041 0.000 1.136 287 N HN 0.682 nan 8.380 nan 0.000 0.517 288 L N 0.629 121.823 121.223 -0.048 0.000 1.994 288 L HA -0.167 4.173 4.340 0.000 0.000 0.208 288 L C 2.409 179.030 176.870 -0.416 0.000 1.071 288 L CA 1.407 56.117 54.840 -0.218 0.000 0.745 288 L CB -0.668 41.269 42.059 -0.203 0.000 0.892 288 L HN 0.355 nan 8.230 nan 0.000 0.431 289 E N 0.867 120.764 120.200 -0.504 0.000 2.045 289 E HA -0.330 4.020 4.350 0.000 0.000 0.212 289 E C 2.217 178.515 176.600 -0.503 0.000 1.039 289 E CA 2.628 58.557 56.400 -0.785 0.000 0.860 289 E CB -0.092 29.405 29.700 -0.338 0.000 0.776 289 E HN 0.499 nan 8.360 nan 0.000 0.467 290 S N 0.214 115.750 115.700 -0.274 0.000 2.399 290 S HA -0.146 4.324 4.470 0.000 0.000 0.231 290 S C 2.150 176.646 174.600 -0.173 0.000 1.022 290 S CA 1.207 59.292 58.200 -0.193 0.000 0.983 290 S CB -0.548 62.587 63.200 -0.108 0.000 0.803 290 S HN 0.340 nan 8.310 nan 0.000 0.480 291 L N 0.580 121.696 121.223 -0.178 0.000 2.027 291 L HA 0.012 4.352 4.340 0.000 0.000 0.206 291 L C 2.674 179.450 176.870 -0.156 0.000 1.074 291 L CA 1.360 56.118 54.840 -0.137 0.000 0.745 291 L CB -0.565 41.419 42.059 -0.125 0.000 0.898 291 L HN 0.303 nan 8.230 nan 0.000 0.433 292 I N -0.119 120.305 120.570 -0.244 0.000 2.252 292 I HA -0.271 3.899 4.170 0.000 0.000 0.245 292 I C 2.254 178.280 176.117 -0.153 0.000 1.102 292 I CA 1.031 62.200 61.300 -0.218 0.000 1.385 292 I CB -0.381 37.431 38.000 -0.313 0.000 1.064 292 I HN 0.341 nan 8.210 nan 0.000 0.414 293 N N 0.543 119.111 118.700 -0.221 0.000 2.120 293 N HA -0.134 4.606 4.740 0.000 0.000 0.188 293 N C 2.010 177.561 175.510 0.069 0.000 1.024 293 N CA 1.461 54.425 53.050 -0.142 0.000 0.852 293 N CB -0.330 37.885 38.487 -0.454 0.000 1.003 293 N HN 0.194 nan 8.380 nan 0.000 0.424 294 S N 0.736 116.434 115.700 -0.004 0.000 2.399 294 S HA -0.018 4.452 4.470 0.000 0.000 0.231 294 S C 2.047 176.647 174.600 0.001 0.000 1.022 294 S CA 0.972 59.185 58.200 0.022 0.000 0.983 294 S CB -0.177 63.012 63.200 -0.019 0.000 0.803 294 S HN 0.492 nan 8.310 nan 0.000 0.480 295 A N 0.983 123.796 122.820 -0.012 0.000 1.930 295 A HA -0.006 4.314 4.320 0.000 0.000 0.217 295 A C 2.298 179.894 177.584 0.020 0.000 1.175 295 A CA 1.254 53.286 52.037 -0.009 0.000 0.627 295 A CB -0.725 18.260 19.000 -0.025 0.000 0.815 295 A HN 0.347 nan 8.150 nan 0.000 0.443 296 V N -2.377 117.569 119.914 0.054 0.000 2.358 296 V HA 0.028 4.148 4.120 0.000 0.000 0.246 296 V C 0.801 176.972 176.094 0.127 0.000 1.047 296 V CA 1.698 64.040 62.300 0.071 0.000 1.035 296 V CB -0.568 31.318 31.823 0.106 0.000 0.658 296 V HN 0.524 nan 8.190 nan 0.000 0.452 297 F N 0.544 120.502 119.950 0.013 0.000 2.635 297 F HA 0.499 5.026 4.527 0.000 0.000 0.314 297 F C -2.505 173.306 175.800 0.019 0.000 1.119 297 F CA -1.864 56.104 58.000 -0.053 0.000 1.000 297 F CB 2.079 40.944 39.000 -0.224 0.000 1.278 297 F HN -0.158 nan 8.300 nan 0.000 0.446 298 P HA 0.149 nan 4.420 nan 0.000 0.256 298 P C 0.827 177.821 177.300 -0.510 0.000 1.335 298 P CA 0.659 62.915 63.100 -1.407 0.000 0.808 298 P CB 0.170 31.247 31.700 -1.039 0.000 1.305 299 G N 1.178 109.827 108.800 -0.252 0.000 2.575 299 G HA2 -0.164 3.797 3.960 0.000 0.000 0.215 299 G HA3 -0.164 3.797 3.960 0.000 0.000 0.215 299 G C 1.289 176.163 174.900 -0.044 0.000 1.262 299 G CA 0.613 45.650 45.100 -0.105 0.000 0.807 299 G HN 0.265 nan 8.290 nan 0.000 0.567 300 L N -0.592 120.635 121.223 0.008 0.000 2.500 300 L HA 0.308 4.648 4.340 0.000 0.000 0.219 300 L C 1.552 178.466 176.870 0.073 0.000 1.057 300 L CA 0.179 55.050 54.840 0.050 0.000 0.854 300 L CB 0.131 42.247 42.059 0.094 0.000 1.078 300 L HN 0.211 nan 8.230 nan 0.000 0.480 301 Q N -1.171 118.680 119.800 0.085 0.000 2.286 301 Q HA 0.521 4.861 4.340 0.000 0.000 0.250 301 Q C 0.038 176.230 176.000 0.320 0.000 1.021 301 Q CA -0.239 55.647 55.803 0.139 0.000 0.930 301 Q CB 1.732 30.356 28.738 -0.190 0.000 1.266 301 Q HN 0.111 nan 8.270 nan 0.000 0.491 302 G N -0.535 108.468 108.800 0.337 0.000 3.414 302 G HA2 0.465 4.425 3.960 0.000 0.000 0.189 302 G HA3 0.465 4.425 3.960 0.000 0.000 0.189 302 G C -0.366 174.623 174.900 0.147 0.000 1.329 302 G CA -0.292 45.013 45.100 0.341 0.000 0.851 302 G HN 0.588 nan 8.290 nan 0.000 0.671 303 G N 1.845 110.805 108.800 0.268 0.000 2.340 303 G HA2 0.470 4.430 3.960 0.000 0.000 0.245 303 G HA3 0.470 4.430 3.960 0.000 0.000 0.245 303 G C -2.056 172.894 174.900 0.084 0.000 1.294 303 G CA -0.326 44.807 45.100 0.055 0.000 0.896 303 G HN 0.374 nan 8.290 nan 0.000 0.522 304 P HA 0.106 nan 4.420 nan 0.000 0.274 304 P C -0.800 176.659 177.300 0.265 0.000 1.237 304 P CA -0.345 62.800 63.100 0.074 0.000 0.793 304 P CB 0.894 32.525 31.700 -0.116 0.000 0.977 305 H N 1.634 120.748 119.070 0.073 0.000 2.914 305 H HA 0.196 4.752 4.556 0.000 0.000 0.264 305 H C 1.374 176.639 175.328 -0.105 0.000 1.433 305 H CA -0.221 55.808 56.048 -0.031 0.000 1.342 305 H CB -0.743 28.919 29.762 -0.166 0.000 1.582 305 H HN 0.318 nan 8.280 nan 0.000 0.525 306 N N 1.428 120.204 118.700 0.126 0.000 2.205 306 N HA -0.163 4.577 4.740 0.000 0.000 0.186 306 N C 1.773 177.337 175.510 0.091 0.000 1.015 306 N CA 0.956 54.056 53.050 0.084 0.000 0.862 306 N CB 0.021 38.555 38.487 0.078 0.000 0.986 306 N HN 0.720 nan 8.380 nan 0.000 0.429 307 H N -0.061 119.017 119.070 0.013 0.000 2.421 307 H HA 0.124 4.680 4.556 0.000 0.000 0.298 307 H C 1.795 177.142 175.328 0.032 0.000 1.087 307 H CA 1.275 57.329 56.048 0.010 0.000 1.330 307 H CB -0.648 29.107 29.762 -0.012 0.000 1.388 307 H HN 0.133 nan 8.280 nan 0.000 0.526 308 A N 1.600 124.175 122.820 -0.410 0.000 1.968 308 A HA 0.060 4.380 4.320 0.000 0.000 0.217 308 A C 2.678 180.214 177.584 -0.080 0.000 1.169 308 A CA 0.847 52.750 52.037 -0.223 0.000 0.638 308 A CB -0.669 18.192 19.000 -0.233 0.000 0.812 308 A HN 0.345 nan 8.150 nan 0.000 0.446 309 I N -0.363 120.172 120.570 -0.057 0.000 2.394 309 I HA -0.227 3.943 4.170 0.000 0.000 0.251 309 I C 2.879 178.992 176.117 -0.008 0.000 1.136 309 I CA 0.902 62.188 61.300 -0.023 0.000 1.425 309 I CB -0.220 37.772 38.000 -0.013 0.000 1.079 309 I HN 0.360 nan 8.210 nan 0.000 0.425 310 A N 0.875 123.698 122.820 0.006 0.000 1.898 310 A HA -0.066 4.254 4.320 0.000 0.000 0.216 310 A C 2.436 180.025 177.584 0.009 0.000 1.181 310 A CA 1.649 53.694 52.037 0.015 0.000 0.620 310 A CB -1.303 17.717 19.000 0.033 0.000 0.819 310 A HN 0.430 nan 8.150 nan 0.000 0.442 311 G N -0.382 108.424 108.800 0.009 0.000 2.440 311 G HA2 -0.144 3.816 3.960 0.000 0.000 0.218 311 G HA3 -0.144 3.816 3.960 0.000 0.000 0.218 311 G C 1.510 176.411 174.900 0.002 0.000 1.154 311 G CA 1.316 46.422 45.100 0.010 0.000 0.767 311 G HN 0.310 nan 8.290 nan 0.000 0.552 312 V N 1.560 121.473 119.914 -0.002 0.000 2.343 312 V HA -0.131 3.989 4.120 0.000 0.000 0.247 312 V C 3.330 179.416 176.094 -0.014 0.000 1.051 312 V CA 1.991 64.290 62.300 -0.001 0.000 1.036 312 V CB -0.899 30.923 31.823 -0.001 0.000 0.654 312 V HN 0.492 nan 8.190 nan 0.000 0.451 313 A N -0.020 122.792 122.820 -0.014 0.000 1.865 313 A HA -0.194 4.126 4.320 0.000 0.000 0.217 313 A C 2.407 179.972 177.584 -0.032 0.000 1.191 313 A CA 2.305 54.329 52.037 -0.020 0.000 0.623 313 A CB -0.851 18.142 19.000 -0.012 0.000 0.826 313 A HN 0.330 nan 8.150 nan 0.000 0.444 314 V N -0.100 119.799 119.914 -0.025 0.000 2.332 314 V HA -0.295 3.825 4.120 0.000 0.000 0.248 314 V C 3.049 179.109 176.094 -0.056 0.000 1.055 314 V CA 2.116 64.397 62.300 -0.031 0.000 1.038 314 V CB -1.313 30.501 31.823 -0.014 0.000 0.651 314 V HN 0.643 nan 8.190 nan 0.000 0.450 315 A N -0.485 122.302 122.820 -0.055 0.000 1.933 315 A HA -0.134 4.186 4.320 0.000 0.000 0.218 315 A C 2.205 179.685 177.584 -0.174 0.000 1.175 315 A CA 1.673 53.654 52.037 -0.093 0.000 0.628 315 A CB -0.493 18.478 19.000 -0.049 0.000 0.814 315 A HN 0.522 nan 8.150 nan 0.000 0.444 316 L N -0.835 120.311 121.223 -0.128 0.000 2.141 316 L HA -0.156 4.184 4.340 0.000 0.000 0.209 316 L C 2.593 179.351 176.870 -0.186 0.000 1.094 316 L CA 1.735 56.480 54.840 -0.159 0.000 0.763 316 L CB -0.346 41.668 42.059 -0.075 0.000 0.908 316 L HN 0.476 nan 8.230 nan 0.000 0.437 317 K N 0.179 120.499 120.400 -0.134 0.000 2.025 317 K HA -0.197 4.123 4.320 0.000 0.000 0.207 317 K C 2.110 178.624 176.600 -0.143 0.000 1.049 317 K CA 1.320 57.539 56.287 -0.114 0.000 0.933 317 K CB 0.015 32.472 32.500 -0.071 0.000 0.714 317 K HN 0.297 nan 8.250 nan 0.000 0.438 318 Q N -0.353 119.350 119.800 -0.161 0.000 2.170 318 Q HA -0.100 4.240 4.340 0.000 0.000 0.203 318 Q C 1.906 177.711 176.000 -0.324 0.000 0.976 318 Q CA 1.302 57.009 55.803 -0.161 0.000 0.858 318 Q CB -0.052 28.614 28.738 -0.121 0.000 0.907 318 Q HN 0.419 nan 8.270 nan 0.000 0.433 319 A N 0.116 122.563 122.820 -0.621 0.000 2.119 319 A HA -0.057 4.263 4.320 0.000 0.000 0.217 319 A C 1.735 179.030 177.584 -0.482 0.000 1.153 319 A CA 0.791 52.097 52.037 -1.219 0.000 0.692 319 A CB -0.177 18.137 19.000 -1.144 0.000 0.799 319 A HN 0.285 nan 8.150 nan 0.000 0.458 320 M N 0.383 119.829 119.600 -0.256 0.000 2.495 320 M HA 0.030 4.510 4.480 0.000 0.000 0.237 320 M C 0.774 177.055 176.300 -0.032 0.000 1.131 320 M CA 0.424 55.649 55.300 -0.126 0.000 1.032 320 M CB -0.041 32.482 32.600 -0.128 0.000 1.513 320 M HN 0.468 nan 8.290 nan 0.000 0.488 321 T N -1.398 113.158 114.554 0.004 0.000 2.913 321 T HA 0.200 4.550 4.350 0.000 0.000 0.297 321 T C -1.613 173.149 174.700 0.104 0.000 1.029 321 T CA -1.620 60.509 62.100 0.049 0.000 1.104 321 T CB 0.897 69.796 68.868 0.053 0.000 0.964 321 T HN 0.018 nan 8.240 nan 0.000 0.532 322 P HA -0.090 nan 4.420 nan 0.000 0.220 322 P C 0.907 178.263 177.300 0.093 0.000 1.148 322 P CA 1.036 64.178 63.100 0.071 0.000 0.803 322 P CB 0.224 31.949 31.700 0.042 0.000 0.782 323 E N -0.569 119.693 120.200 0.103 0.000 2.077 323 E HA -0.144 4.206 4.350 0.000 0.000 0.193 323 E C 1.800 178.498 176.600 0.163 0.000 0.989 323 E CA 0.983 57.450 56.400 0.110 0.000 0.800 323 E CB -1.177 28.579 29.700 0.093 0.000 0.746 323 E HN 0.243 nan 8.360 nan 0.000 0.452 324 F N 1.191 121.174 119.950 0.055 0.000 2.146 324 F HA -0.110 4.417 4.527 0.000 0.000 0.298 324 F C 2.057 177.944 175.800 0.146 0.000 1.096 324 F CA 1.265 59.326 58.000 0.102 0.000 1.275 324 F CB 0.051 39.073 39.000 0.037 0.000 1.008 324 F HN -0.164 nan 8.300 nan 0.000 0.480 325 K N 0.612 121.126 120.400 0.190 0.000 2.032 325 K HA -0.252 4.068 4.320 0.000 0.000 0.209 325 K C 2.107 178.703 176.600 -0.007 0.000 1.048 325 K CA 1.820 58.153 56.287 0.077 0.000 0.927 325 K CB -0.426 32.121 32.500 0.080 0.000 0.712 325 K HN 0.217 nan 8.250 nan 0.000 0.441 326 E N -0.670 119.545 120.200 0.026 0.000 2.110 326 E HA -0.214 4.136 4.350 0.000 0.000 0.193 326 E C 1.880 178.472 176.600 -0.014 0.000 0.988 326 E CA 1.318 57.725 56.400 0.011 0.000 0.804 326 E CB -0.509 29.215 29.700 0.040 0.000 0.745 326 E HN 0.445 nan 8.360 nan 0.000 0.458 327 Y N 0.816 121.031 120.300 -0.141 0.000 2.128 327 Y HA -0.241 4.309 4.550 0.000 0.000 0.284 327 Y C 2.190 177.952 175.900 -0.230 0.000 1.154 327 Y CA 2.331 60.319 58.100 -0.186 0.000 1.149 327 Y CB -0.609 37.683 38.460 -0.279 0.000 0.976 327 Y HN 0.084 nan 8.280 nan 0.000 0.505 328 Q N 0.493 119.977 119.800 -0.528 0.000 2.167 328 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 328 Q C 2.306 178.104 176.000 -0.337 0.000 0.970 328 Q CA 1.647 57.119 55.803 -0.552 0.000 0.855 328 Q CB -0.176 28.341 28.738 -0.369 0.000 0.911 328 Q HN 0.483 nan 8.270 nan 0.000 0.438 329 R N -0.677 119.694 120.500 -0.214 0.000 2.075 329 R HA -0.158 4.182 4.340 0.000 0.000 0.232 329 R C 2.159 178.365 176.300 -0.157 0.000 1.126 329 R CA 1.410 57.426 56.100 -0.139 0.000 0.963 329 R CB -0.163 30.090 30.300 -0.080 0.000 0.858 329 R HN 0.228 nan 8.270 nan 0.000 0.435 330 Q N 0.929 120.621 119.800 -0.181 0.000 2.124 330 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 330 Q C 1.977 177.844 176.000 -0.223 0.000 0.977 330 Q CA 1.358 57.070 55.803 -0.152 0.000 0.850 330 Q CB -0.158 28.524 28.738 -0.093 0.000 0.901 330 Q HN 0.095 nan 8.270 nan 0.000 0.429 331 V N -0.710 118.984 119.914 -0.365 0.000 2.255 331 V HA -0.256 3.864 4.120 0.000 0.000 0.247 331 V C 2.209 178.150 176.094 -0.256 0.000 1.051 331 V CA 1.777 63.861 62.300 -0.359 0.000 1.018 331 V CB -0.612 30.923 31.823 -0.480 0.000 0.641 331 V HN 0.256 nan 8.190 nan 0.000 0.445 332 V N -0.037 119.755 119.914 -0.203 0.000 2.515 332 V HA -0.214 3.906 4.120 0.000 0.000 0.250 332 V C 2.604 178.608 176.094 -0.150 0.000 1.058 332 V CA 1.823 64.036 62.300 -0.144 0.000 1.064 332 V CB -0.866 30.897 31.823 -0.100 0.000 0.675 332 V HN 0.567 nan 8.190 nan 0.000 0.461 333 A N 0.206 122.939 122.820 -0.145 0.000 1.898 333 A HA -0.197 4.123 4.320 0.000 0.000 0.216 333 A C 2.077 179.565 177.584 -0.160 0.000 1.181 333 A CA 1.833 53.799 52.037 -0.117 0.000 0.620 333 A CB -0.581 18.371 19.000 -0.081 0.000 0.819 333 A HN 0.575 nan 8.150 nan 0.000 0.442 334 N N -0.237 118.313 118.700 -0.250 0.000 2.084 334 N HA -0.161 4.579 4.740 0.000 0.000 0.190 334 N C 1.834 177.020 175.510 -0.541 0.000 1.030 334 N CA 1.496 54.269 53.050 -0.462 0.000 0.849 334 N CB -1.041 36.950 38.487 -0.828 0.000 1.012 334 N HN 0.570 nan 8.380 nan 0.000 0.423 335 C N 1.616 120.654 119.300 -0.437 0.000 2.413 335 C HA -0.017 4.443 4.460 0.000 0.000 0.276 335 C C 2.729 177.593 174.990 -0.209 0.000 1.248 335 C CA 0.700 59.525 59.018 -0.322 0.000 1.742 335 C CB -0.876 26.727 27.740 -0.228 0.000 2.017 335 C HN 0.398 nan 8.230 nan 0.000 0.481 336 R N 0.319 120.721 120.500 -0.163 0.000 2.091 336 R HA -0.111 4.229 4.340 0.000 0.000 0.238 336 R C 2.462 178.710 176.300 -0.086 0.000 1.136 336 R CA 1.740 57.777 56.100 -0.106 0.000 0.959 336 R CB -0.489 29.762 30.300 -0.082 0.000 0.856 336 R HN 0.640 nan 8.270 nan 0.000 0.437 337 A N 1.038 123.805 122.820 -0.089 0.000 1.873 337 A HA -0.158 4.162 4.320 0.000 0.000 0.215 337 A C 2.063 179.636 177.584 -0.018 0.000 1.186 337 A CA 1.119 53.135 52.037 -0.034 0.000 0.616 337 A CB -0.540 18.461 19.000 0.003 0.000 0.823 337 A HN 0.280 nan 8.150 nan 0.000 0.442 338 L N -0.182 121.011 121.223 -0.051 0.000 2.042 338 L HA -0.114 4.226 4.340 0.000 0.000 0.210 338 L C 2.504 179.349 176.870 -0.042 0.000 1.076 338 L CA 2.689 57.528 54.840 -0.001 0.000 0.749 338 L CB -0.819 41.222 42.059 -0.030 0.000 0.893 338 L HN 0.327 nan 8.230 nan 0.000 0.432 339 S N -0.791 114.866 115.700 -0.073 0.000 2.356 339 S HA -0.158 4.312 4.470 0.000 0.000 0.223 339 S C 2.144 176.717 174.600 -0.044 0.000 1.032 339 S CA 1.261 59.421 58.200 -0.068 0.000 1.005 339 S CB -0.526 62.626 63.200 -0.081 0.000 0.867 339 S HN 0.696 nan 8.310 nan 0.000 0.449 340 A N 1.218 124.016 122.820 -0.037 0.000 1.902 340 A HA 0.201 4.521 4.320 0.000 0.000 0.217 340 A C 2.424 179.996 177.584 -0.020 0.000 1.181 340 A CA 1.837 53.860 52.037 -0.024 0.000 0.623 340 A CB -1.290 17.699 19.000 -0.018 0.000 0.818 340 A HN 0.732 nan 8.150 nan 0.000 0.443 341 A N -0.459 122.348 122.820 -0.021 0.000 1.933 341 A HA 0.008 4.328 4.320 0.000 0.000 0.218 341 A C 2.146 179.685 177.584 -0.075 0.000 1.175 341 A CA 1.404 53.419 52.037 -0.036 0.000 0.628 341 A CB -0.493 18.497 19.000 -0.017 0.000 0.814 341 A HN 0.469 nan 8.150 nan 0.000 0.444 342 L N -0.805 120.380 121.223 -0.064 0.000 2.109 342 L HA -0.102 4.238 4.340 0.000 0.000 0.207 342 L C 2.471 179.398 176.870 0.095 0.000 1.086 342 L CA 0.666 55.481 54.840 -0.041 0.000 0.760 342 L CB -0.339 41.640 42.059 -0.133 0.000 0.910 342 L HN 0.240 nan 8.230 nan 0.000 0.437 343 V N -0.031 119.903 119.914 0.033 0.000 2.358 343 V HA -0.290 3.830 4.120 0.000 0.000 0.246 343 V C 2.417 178.512 176.094 0.002 0.000 1.047 343 V CA 1.907 64.224 62.300 0.029 0.000 1.035 343 V CB -0.348 31.476 31.823 0.002 0.000 0.658 343 V HN 0.494 nan 8.190 nan 0.000 0.452 344 E N -0.106 120.084 120.200 -0.016 0.000 2.204 344 E HA -0.176 4.174 4.350 0.000 0.000 0.195 344 E C 1.920 178.482 176.600 -0.063 0.000 0.990 344 E CA 0.899 57.279 56.400 -0.033 0.000 0.821 344 E CB -0.062 29.621 29.700 -0.028 0.000 0.750 344 E HN 0.566 nan 8.360 nan 0.000 0.477 345 L N -0.522 120.656 121.223 -0.076 0.000 2.599 345 L HA 0.141 4.481 4.340 0.000 0.000 0.230 345 L C 1.267 178.017 176.870 -0.200 0.000 1.141 345 L CA 0.477 55.213 54.840 -0.173 0.000 0.877 345 L CB 0.195 42.103 42.059 -0.251 0.000 1.009 345 L HN 0.419 nan 8.230 nan 0.000 0.447 346 G N -1.439 107.286 108.800 -0.126 0.000 2.141 346 G HA2 -0.303 3.657 3.960 0.000 0.000 0.231 346 G HA3 -0.303 3.657 3.960 0.000 0.000 0.231 346 G C -0.074 174.669 174.900 -0.260 0.000 0.984 346 G CA -0.484 44.502 45.100 -0.189 0.000 0.660 346 G HN 0.237 nan 8.290 nan 0.000 0.525 347 Y N -0.025 120.233 120.300 -0.071 0.000 2.301 347 Y HA 0.586 5.136 4.550 0.000 0.000 0.325 347 Y C 0.739 176.613 175.900 -0.044 0.000 1.203 347 Y CA -0.396 57.675 58.100 -0.047 0.000 1.255 347 Y CB 1.134 39.566 38.460 -0.048 0.000 1.232 347 Y HN 0.065 nan 8.280 nan 0.000 0.501 348 K N 3.418 123.881 120.400 0.104 0.000 2.234 348 K HA 0.375 4.695 4.320 0.000 0.000 0.277 348 K C -1.510 175.115 176.600 0.041 0.000 1.038 348 K CA -0.188 56.126 56.287 0.044 0.000 0.888 348 K CB 0.165 32.674 32.500 0.015 0.000 1.091 348 K HN 0.459 nan 8.250 nan 0.000 0.467 349 I N 5.573 126.149 120.570 0.010 0.000 2.336 349 I HA 0.193 4.363 4.170 0.000 0.000 0.292 349 I C -0.121 175.967 176.117 -0.049 0.000 0.991 349 I CA -1.045 60.240 61.300 -0.026 0.000 1.227 349 I CB 1.377 39.351 38.000 -0.043 0.000 1.366 349 I HN 0.340 nan 8.210 nan 0.000 0.466 350 V N 6.831 126.704 119.914 -0.070 0.000 2.509 350 V HA 0.040 4.160 4.120 0.000 0.000 0.297 350 V C 1.270 177.275 176.094 -0.147 0.000 1.014 350 V CA 1.227 63.473 62.300 -0.090 0.000 1.127 350 V CB -0.122 31.642 31.823 -0.098 0.000 0.925 350 V HN 1.115 nan 8.190 nan 0.000 0.480 351 T N 1.550 116.035 114.554 -0.116 0.000 5.658 351 T HA -0.207 4.143 4.350 0.000 0.000 0.271 351 T C 1.419 176.091 174.700 -0.047 0.000 2.170 351 T CA 1.265 63.288 62.100 -0.129 0.000 3.657 351 T CB -1.922 66.661 68.868 -0.476 0.000 0.929 351 T HN 2.569 nan 8.240 nan 0.000 1.134 352 G N -0.504 108.272 108.800 -0.041 0.000 2.284 352 G HA2 0.256 4.216 3.960 0.000 0.000 0.261 352 G HA3 0.256 4.216 3.960 0.000 0.000 0.261 352 G C 1.336 176.212 174.900 -0.041 0.000 0.997 352 G CA 0.822 45.908 45.100 -0.023 0.000 0.621 352 G HN 2.506 nan 8.290 nan 0.000 0.534 353 G N -1.928 106.827 108.800 -0.076 0.000 2.435 353 G HA2 0.732 4.692 3.960 0.000 0.000 0.296 353 G HA3 0.732 4.692 3.960 0.000 0.000 0.296 353 G C -0.794 174.027 174.900 -0.131 0.000 1.240 353 G CA 0.917 45.966 45.100 -0.084 0.000 0.872 353 G HN 1.711 nan 8.290 nan 0.000 0.480 354 S N -1.576 114.054 115.700 -0.117 0.000 2.607 354 S HA 0.611 5.081 4.470 0.000 0.000 0.273 354 S C -1.078 173.464 174.600 -0.096 0.000 1.148 354 S CA -0.159 57.955 58.200 -0.143 0.000 0.833 354 S CB 2.037 65.142 63.200 -0.157 0.000 1.130 354 S HN 0.402 nan 8.310 nan 0.000 0.470 355 D N 1.065 121.412 120.400 -0.088 0.000 2.449 355 D HA 0.193 4.833 4.640 0.000 0.000 0.210 355 D C 0.363 176.654 176.300 -0.016 0.000 1.094 355 D CA 0.396 54.373 54.000 -0.038 0.000 0.846 355 D CB 0.211 41.002 40.800 -0.014 0.000 1.003 355 D HN 0.658 nan 8.370 nan 0.000 0.504 356 N N -0.444 118.245 118.700 -0.019 0.000 3.357 356 N HA -0.015 4.725 4.740 0.000 0.000 0.359 356 N C 0.947 176.482 175.510 0.042 0.000 1.477 356 N CA -0.379 52.709 53.050 0.063 0.000 0.645 356 N CB -0.359 38.254 38.487 0.209 0.000 1.703 356 N HN -0.170 nan 8.380 nan 0.000 0.597 357 H N -0.849 118.180 119.070 -0.069 0.000 2.539 357 H HA 0.323 4.879 4.556 0.000 0.000 0.267 357 H C -0.113 175.167 175.328 -0.080 0.000 0.982 357 H CA -0.161 55.835 56.048 -0.088 0.000 1.146 357 H CB -0.697 29.037 29.762 -0.046 0.000 1.382 357 H HN 0.520 nan 8.280 nan 0.000 0.577 358 L N -0.631 120.291 121.223 -0.502 0.000 2.403 358 L HA 0.696 5.036 4.340 0.000 0.000 0.253 358 L C -0.882 175.822 176.870 -0.276 0.000 1.045 358 L CA -1.708 52.881 54.840 -0.419 0.000 0.845 358 L CB 2.239 43.955 42.059 -0.572 0.000 1.447 358 L HN 0.054 nan 8.230 nan 0.000 0.411 359 I N -0.857 119.586 120.570 -0.211 0.000 2.802 359 I HA 0.698 4.868 4.170 0.000 0.000 0.298 359 I C -1.642 174.390 176.117 -0.142 0.000 1.176 359 I CA -1.071 60.126 61.300 -0.172 0.000 1.025 359 I CB 2.309 40.226 38.000 -0.139 0.000 1.243 359 I HN 0.701 nan 8.210 nan 0.000 0.424 360 L N 6.031 127.175 121.223 -0.131 0.000 2.276 360 L HA 0.566 4.906 4.340 0.000 0.000 0.286 360 L C -0.891 175.936 176.870 -0.071 0.000 1.024 360 L CA -0.370 54.411 54.840 -0.099 0.000 0.826 360 L CB 1.414 43.413 42.059 -0.099 0.000 1.211 360 L HN 0.513 nan 8.230 nan 0.000 0.422 361 V N 4.576 124.459 119.914 -0.052 0.000 2.385 361 V HA 0.231 4.351 4.120 0.000 0.000 0.269 361 V C 0.022 176.124 176.094 0.013 0.000 1.043 361 V CA -0.604 61.686 62.300 -0.016 0.000 0.906 361 V CB 1.027 32.830 31.823 -0.034 0.000 0.995 361 V HN 0.687 nan 8.190 nan 0.000 0.467 362 D N 4.695 125.111 120.400 0.027 0.000 2.359 362 D HA 0.147 4.787 4.640 0.000 0.000 0.250 362 D C 0.872 177.209 176.300 0.061 0.000 1.264 362 D CA 0.036 54.051 54.000 0.025 0.000 0.911 362 D CB 1.076 41.881 40.800 0.009 0.000 1.056 362 D HN 0.491 nan 8.370 nan 0.000 0.499 363 L N 3.570 124.828 121.223 0.058 0.000 2.610 363 L HA 0.058 4.398 4.340 0.000 0.000 0.232 363 L C 2.309 179.198 176.870 0.032 0.000 1.149 363 L CA 0.102 54.992 54.840 0.082 0.000 0.872 363 L CB -0.028 42.074 42.059 0.070 0.000 0.992 363 L HN 0.256 nan 8.230 nan 0.000 0.447 364 R N 0.084 120.590 120.500 0.010 0.000 2.152 364 R HA -0.127 4.213 4.340 0.000 0.000 0.232 364 R C 2.405 178.695 176.300 -0.016 0.000 1.117 364 R CA 1.497 57.592 56.100 -0.008 0.000 0.981 364 R CB -0.209 30.085 30.300 -0.011 0.000 0.870 364 R HN 0.428 nan 8.270 nan 0.000 0.451 365 S N 0.166 115.855 115.700 -0.018 0.000 2.595 365 S HA -0.007 4.463 4.470 0.000 0.000 0.235 365 S C 1.135 175.680 174.600 -0.092 0.000 0.974 365 S CA 0.776 58.944 58.200 -0.053 0.000 0.942 365 S CB 0.212 63.377 63.200 -0.060 0.000 0.766 365 S HN 0.089 nan 8.310 nan 0.000 0.536 366 K N 0.181 120.545 120.400 -0.060 0.000 2.520 366 K HA 0.310 4.630 4.320 0.000 0.000 0.206 366 K C 0.888 177.475 176.600 -0.021 0.000 1.122 366 K CA 0.405 56.653 56.287 -0.064 0.000 1.045 366 K CB 0.514 32.983 32.500 -0.051 0.000 0.932 366 K HN 0.428 nan 8.250 nan 0.000 0.571 367 G N 1.934 110.723 108.800 -0.019 0.000 2.198 367 G HA2 -0.262 3.699 3.960 0.000 0.000 0.257 367 G HA3 -0.262 3.699 3.960 0.000 0.000 0.257 367 G C 0.147 175.038 174.900 -0.015 0.000 1.042 367 G CA 1.230 46.322 45.100 -0.014 0.000 0.791 367 G HN 0.367 nan 8.290 nan 0.000 0.502 368 T N -1.123 113.421 114.554 -0.018 0.000 2.645 368 T HA 0.612 4.962 4.350 0.000 0.000 0.300 368 T C -1.325 173.344 174.700 -0.052 0.000 1.210 368 T CA 0.489 62.562 62.100 -0.045 0.000 1.034 368 T CB 1.439 70.285 68.868 -0.037 0.000 1.537 368 T HN 0.679 nan 8.240 nan 0.000 0.492 369 D N -1.276 119.068 120.400 -0.093 0.000 2.523 369 D HA 0.570 5.210 4.640 0.000 0.000 0.236 369 D C 1.194 177.444 176.300 -0.083 0.000 1.094 369 D CA -0.479 53.472 54.000 -0.080 0.000 0.942 369 D CB 0.795 41.537 40.800 -0.098 0.000 1.447 369 D HN 0.635 nan 8.370 nan 0.000 0.479 370 G N -0.381 108.385 108.800 -0.057 0.000 2.448 370 G HA2 -0.068 3.892 3.960 0.000 0.000 0.219 370 G HA3 -0.068 3.892 3.960 0.000 0.000 0.219 370 G C 1.302 176.164 174.900 -0.064 0.000 1.127 370 G CA 0.552 45.623 45.100 -0.047 0.000 0.766 370 G HN 0.599 nan 8.290 nan 0.000 0.552 371 G N 0.769 109.518 108.800 -0.086 0.000 2.446 371 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 371 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 371 G C 1.962 176.785 174.900 -0.128 0.000 1.168 371 G CA 0.805 45.850 45.100 -0.092 0.000 0.771 371 G HN 0.463 nan 8.290 nan 0.000 0.551 372 R N 0.345 120.693 120.500 -0.253 0.000 2.093 372 R HA 0.221 4.561 4.340 0.000 0.000 0.224 372 R C 3.026 179.237 176.300 -0.149 0.000 1.101 372 R CA 0.858 56.694 56.100 -0.440 0.000 0.979 372 R CB -0.312 29.317 30.300 -1.120 0.000 0.877 372 R HN 0.331 nan 8.270 nan 0.000 0.441 373 A N 2.244 125.005 122.820 -0.099 0.000 1.902 373 A HA -0.242 4.078 4.320 0.000 0.000 0.217 373 A C 2.100 179.701 177.584 0.028 0.000 1.181 373 A CA 1.798 53.836 52.037 0.001 0.000 0.623 373 A CB -0.509 18.492 19.000 0.002 0.000 0.818 373 A HN 0.551 nan 8.150 nan 0.000 0.443 374 E N -0.626 119.579 120.200 0.008 0.000 2.118 374 E HA -0.243 4.107 4.350 0.000 0.000 0.195 374 E C 1.699 178.323 176.600 0.041 0.000 0.992 374 E CA 1.324 57.736 56.400 0.019 0.000 0.804 374 E CB -0.216 29.487 29.700 0.006 0.000 0.741 374 E HN 0.309 nan 8.360 nan 0.000 0.458 375 K N 0.752 121.188 120.400 0.060 0.000 2.103 375 K HA -0.020 4.300 4.320 0.000 0.000 0.204 375 K C 2.270 178.928 176.600 0.097 0.000 1.052 375 K CA 0.972 57.310 56.287 0.085 0.000 0.945 375 K CB -0.225 32.347 32.500 0.120 0.000 0.722 375 K HN 0.147 nan 8.250 nan 0.000 0.443 376 V N 1.705 121.698 119.914 0.132 0.000 2.379 376 V HA -0.179 3.941 4.120 0.000 0.000 0.245 376 V C 2.427 178.559 176.094 0.064 0.000 1.044 376 V CA 1.267 63.630 62.300 0.106 0.000 1.036 376 V CB -0.440 31.471 31.823 0.147 0.000 0.664 376 V HN 0.159 nan 8.190 nan 0.000 0.453 377 L N -0.013 121.246 121.223 0.060 0.000 2.083 377 L HA -0.201 4.139 4.340 0.000 0.000 0.209 377 L C 2.617 179.507 176.870 0.034 0.000 1.083 377 L CA 1.893 56.760 54.840 0.045 0.000 0.752 377 L CB -0.528 41.557 42.059 0.043 0.000 0.899 377 L HN 0.446 nan 8.230 nan 0.000 0.433 378 E N 0.551 120.773 120.200 0.037 0.000 2.077 378 E HA -0.254 4.096 4.350 0.000 0.000 0.193 378 E C 2.193 178.807 176.600 0.022 0.000 0.989 378 E CA 1.205 57.623 56.400 0.030 0.000 0.800 378 E CB -0.015 29.704 29.700 0.031 0.000 0.746 378 E HN 0.459 nan 8.360 nan 0.000 0.452 379 A N 0.096 122.931 122.820 0.025 0.000 2.070 379 A HA -0.151 4.169 4.320 0.000 0.000 0.220 379 A C 2.079 179.667 177.584 0.006 0.000 1.159 379 A CA 1.169 53.215 52.037 0.015 0.000 0.656 379 A CB -0.444 18.565 19.000 0.015 0.000 0.800 379 A HN 0.473 nan 8.150 nan 0.000 0.453 380 C N -0.400 118.904 119.300 0.006 0.000 2.693 380 C HA 0.379 4.839 4.460 0.000 0.000 0.286 380 C C 1.352 176.326 174.990 -0.027 0.000 1.277 380 C CA 0.379 59.390 59.018 -0.013 0.000 1.705 380 C CB -1.511 26.224 27.740 -0.008 0.000 1.879 380 C HN 0.635 nan 8.230 nan 0.000 0.607 381 S N 0.312 116.007 115.700 -0.008 0.000 3.490 381 S HA -0.185 4.285 4.470 0.000 0.000 0.301 381 S C -0.078 174.524 174.600 0.004 0.000 1.233 381 S CA 0.589 58.787 58.200 -0.004 0.000 0.914 381 S CB -1.559 61.631 63.200 -0.017 0.000 1.047 381 S HN 0.745 nan 8.310 nan 0.000 0.602 382 I N 1.571 122.148 120.570 0.012 0.000 2.328 382 I HA 0.558 4.728 4.170 0.000 0.000 0.287 382 I C 0.396 176.537 176.117 0.040 0.000 1.012 382 I CA -0.347 60.972 61.300 0.032 0.000 1.195 382 I CB 1.359 39.383 38.000 0.039 0.000 1.350 382 I HN 0.318 nan 8.210 nan 0.000 0.464 383 A N 6.449 129.298 122.820 0.048 0.000 2.309 383 A HA 0.800 5.121 4.320 0.000 0.000 0.298 383 A C -0.147 177.465 177.584 0.046 0.000 1.165 383 A CA -0.306 51.758 52.037 0.045 0.000 0.821 383 A CB 0.637 19.665 19.000 0.047 0.000 1.102 383 A HN 0.995 nan 8.150 nan 0.000 0.500 384 C N 1.057 120.378 119.300 0.036 0.000 3.233 384 C HA 0.816 5.276 4.460 0.000 0.000 0.358 384 C C -1.331 173.670 174.990 0.020 0.000 1.461 384 C CA -0.676 58.359 59.018 0.029 0.000 1.180 384 C CB 1.235 28.989 27.740 0.024 0.000 1.604 384 C HN 1.145 nan 8.230 nan 0.000 0.437 385 N N 0.068 118.774 118.700 0.010 0.000 2.416 385 N HA 0.448 5.188 4.740 0.000 0.000 0.276 385 N C -1.427 174.076 175.510 -0.011 0.000 1.261 385 N CA -0.582 52.469 53.050 0.003 0.000 0.790 385 N CB 2.004 40.495 38.487 0.007 0.000 1.554 385 N HN 1.049 nan 8.380 nan 0.000 0.481 386 K N 0.317 120.706 120.400 -0.018 0.000 2.180 386 K HA 0.358 4.678 4.320 0.000 0.000 0.251 386 K C -0.813 175.766 176.600 -0.035 0.000 1.014 386 K CA -0.456 55.814 56.287 -0.028 0.000 0.913 386 K CB 0.585 33.065 32.500 -0.034 0.000 1.008 386 K HN 0.740 nan 8.250 nan 0.000 0.490 387 N N -0.230 118.445 118.700 -0.041 0.000 2.647 387 N HA 0.058 4.798 4.740 0.000 0.000 0.259 387 N C -1.763 173.719 175.510 -0.046 0.000 1.098 387 N CA -0.561 52.460 53.050 -0.049 0.000 0.984 387 N CB 1.646 40.102 38.487 -0.052 0.000 1.683 387 N HN 0.843 nan 8.380 nan 0.000 0.501 388 T N -0.062 114.462 114.554 -0.050 0.000 2.926 388 T HA 0.336 4.686 4.350 0.000 0.000 0.307 388 T C 0.229 174.906 174.700 -0.039 0.000 1.059 388 T CA -0.247 61.827 62.100 -0.042 0.000 1.122 388 T CB 0.068 68.910 68.868 -0.043 0.000 0.972 388 T HN 0.418 nan 8.240 nan 0.000 0.545 389 C N 4.680 123.961 119.300 -0.031 0.000 2.366 389 C HA 0.420 4.880 4.460 0.000 0.000 0.345 389 C C -0.608 174.369 174.990 -0.022 0.000 1.209 389 C CA -1.210 57.791 59.018 -0.027 0.000 2.050 389 C CB 1.029 28.755 27.740 -0.023 0.000 2.359 389 C HN 0.727 nan 8.230 nan 0.000 0.527 390 P HA -0.181 nan 4.420 nan 0.000 0.220 390 P C 1.427 178.722 177.300 -0.009 0.000 1.155 390 P CA 2.271 65.365 63.100 -0.010 0.000 0.880 390 P CB 0.092 31.794 31.700 0.003 0.000 0.790 391 G N -0.582 108.213 108.800 -0.008 0.000 2.637 391 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 391 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 391 G C -0.186 174.708 174.900 -0.011 0.000 1.289 391 G CA 0.381 45.476 45.100 -0.007 0.000 0.816 391 G HN 0.147 nan 8.290 nan 0.000 0.580 392 D N -0.046 120.345 120.400 -0.014 0.000 7.686 392 D HA -0.097 4.543 4.640 0.000 0.000 0.091 392 D C 0.782 177.074 176.300 -0.014 0.000 1.019 392 D CA 0.722 54.712 54.000 -0.017 0.000 0.815 392 D CB 0.247 41.034 40.800 -0.022 0.000 1.611 392 D HN 0.157 nan 8.370 nan 0.000 0.915 393 K N 0.444 120.836 120.400 -0.013 0.000 2.476 393 K HA 0.211 4.531 4.320 0.000 0.000 0.196 393 K C 0.034 176.628 176.600 -0.010 0.000 1.025 393 K CA -0.070 56.211 56.287 -0.010 0.000 1.138 393 K CB 0.642 33.137 32.500 -0.009 0.000 0.860 393 K HN 0.273 nan 8.250 nan 0.000 0.515 394 S N -1.356 114.337 115.700 -0.013 0.000 2.570 394 S HA 0.539 5.009 4.470 0.000 0.000 0.286 394 S C -0.154 174.436 174.600 -0.016 0.000 1.143 394 S CA -0.350 57.842 58.200 -0.012 0.000 0.921 394 S CB 0.989 64.181 63.200 -0.013 0.000 1.108 394 S HN 0.041 nan 8.310 nan 0.000 0.456 395 A N 4.150 126.962 122.820 -0.012 0.000 2.119 395 A HA 0.231 4.551 4.320 0.000 0.000 0.216 395 A C 1.377 178.949 177.584 -0.019 0.000 1.152 395 A CA 0.539 52.566 52.037 -0.017 0.000 0.708 395 A CB -0.271 18.725 19.000 -0.008 0.000 0.805 395 A HN 0.729 nan 8.150 nan 0.000 0.460 396 L N -0.863 120.352 121.223 -0.015 0.000 2.627 396 L HA 0.203 4.543 4.340 0.000 0.000 0.233 396 L C 1.169 178.022 176.870 -0.028 0.000 1.144 396 L CA 0.989 55.819 54.840 -0.017 0.000 0.892 396 L CB -1.029 41.025 42.059 -0.010 0.000 1.039 396 L HN 0.528 nan 8.230 nan 0.000 0.442 397 R N 1.146 121.626 120.500 -0.033 0.000 2.714 397 R HA 0.179 4.519 4.340 0.000 0.000 0.214 397 R C -2.670 173.604 176.300 -0.044 0.000 1.474 397 R CA -0.863 55.210 56.100 -0.046 0.000 1.435 397 R CB 0.981 31.254 30.300 -0.044 0.000 1.517 397 R HN -0.121 nan 8.270 nan 0.000 0.748 398 P HA 0.040 nan 4.420 nan 0.000 0.265 398 P C -0.030 177.245 177.300 -0.042 0.000 1.193 398 P CA 0.272 63.347 63.100 -0.041 0.000 0.765 398 P CB 1.662 33.336 31.700 -0.043 0.000 0.823 399 S N 1.270 116.950 115.700 -0.034 0.000 2.496 399 S HA 0.125 4.595 4.470 0.000 0.000 0.224 399 S C 1.213 175.801 174.600 -0.020 0.000 0.996 399 S CA 0.488 58.671 58.200 -0.027 0.000 0.927 399 S CB -0.006 63.182 63.200 -0.020 0.000 0.774 399 S HN 0.747 nan 8.310 nan 0.000 0.524 400 G N 0.371 109.156 108.800 -0.025 0.000 2.509 400 G HA2 0.699 4.659 3.960 0.000 0.000 0.328 400 G HA3 0.699 4.659 3.960 0.000 0.000 0.328 400 G C -1.298 173.586 174.900 -0.027 0.000 1.194 400 G CA -0.594 44.493 45.100 -0.023 0.000 0.967 400 G HN 0.262 nan 8.290 nan 0.000 0.488 401 L N 0.331 121.538 121.223 -0.027 0.000 2.381 401 L HA 0.504 4.844 4.340 0.000 0.000 0.274 401 L C 0.093 176.937 176.870 -0.044 0.000 0.988 401 L CA -0.819 54.003 54.840 -0.031 0.000 0.824 401 L CB 2.312 44.355 42.059 -0.028 0.000 1.263 401 L HN 0.503 nan 8.230 nan 0.000 0.410 402 R N 4.281 124.756 120.500 -0.042 0.000 2.312 402 R HA 0.730 5.070 4.340 0.000 0.000 0.311 402 R C -1.617 174.657 176.300 -0.043 0.000 1.004 402 R CA -0.444 55.622 56.100 -0.058 0.000 0.902 402 R CB 0.895 31.161 30.300 -0.057 0.000 1.073 402 R HN 0.562 nan 8.270 nan 0.000 0.457 403 L N 3.331 124.517 121.223 -0.062 0.000 2.410 403 L HA 0.581 4.921 4.340 0.000 0.000 0.270 403 L C 0.047 176.881 176.870 -0.059 0.000 0.983 403 L CA -0.960 53.861 54.840 -0.032 0.000 0.822 403 L CB 2.331 44.375 42.059 -0.025 0.000 1.285 403 L HN 0.808 nan 8.230 nan 0.000 0.409 404 G N -0.525 108.271 108.800 -0.006 0.000 2.481 404 G HA2 0.510 4.470 3.960 0.000 0.000 0.315 404 G HA3 0.510 4.470 3.960 0.000 0.000 0.315 404 G C 0.397 175.335 174.900 0.063 0.000 1.231 404 G CA -0.097 44.995 45.100 -0.013 0.000 0.968 404 G HN 0.612 nan 8.290 nan 0.000 0.482 405 T N -1.492 113.071 114.554 0.017 0.000 3.040 405 T HA 0.226 4.577 4.350 0.000 0.000 0.250 405 T C -0.849 173.927 174.700 0.126 0.000 1.058 405 T CA -0.064 62.047 62.100 0.017 0.000 0.988 405 T CB 0.233 68.854 68.868 -0.411 0.000 0.993 405 T HN 0.236 nan 8.240 nan 0.000 0.519 406 P HA -0.086 nan 4.420 nan 0.000 0.213 406 P C 1.948 179.397 177.300 0.248 0.000 1.170 406 P CA 1.879 65.076 63.100 0.163 0.000 0.902 406 P CB -0.342 31.453 31.700 0.158 0.000 0.789 407 A N -0.649 122.276 122.820 0.176 0.000 1.859 407 A HA -0.213 4.108 4.320 0.000 0.000 0.217 407 A C 2.289 180.088 177.584 0.358 0.000 1.198 407 A CA 1.876 54.010 52.037 0.160 0.000 0.629 407 A CB -1.768 17.226 19.000 -0.011 0.000 0.830 407 A HN 0.108 nan 8.150 nan 0.000 0.446 408 L N -0.760 120.640 121.223 0.295 0.000 2.141 408 L HA -0.143 4.197 4.340 0.000 0.000 0.209 408 L C 2.725 179.713 176.870 0.196 0.000 1.094 408 L CA 1.608 56.557 54.840 0.182 0.000 0.763 408 L CB -0.782 41.295 42.059 0.030 0.000 0.908 408 L HN 0.386 nan 8.230 nan 0.000 0.437 409 T N -1.264 113.491 114.554 0.336 0.000 2.788 409 T HA -0.153 4.197 4.350 0.000 0.000 0.268 409 T C 2.066 177.000 174.700 0.390 0.000 1.044 409 T CA 1.522 63.811 62.100 0.315 0.000 1.139 409 T CB -0.094 68.871 68.868 0.162 0.000 0.867 409 T HN 0.236 nan 8.240 nan 0.000 0.454 410 S N 0.823 116.799 115.700 0.460 0.000 2.474 410 S HA 0.009 4.479 4.470 0.000 0.000 0.235 410 S C 1.820 176.525 174.600 0.174 0.000 0.997 410 S CA 0.651 59.029 58.200 0.297 0.000 0.949 410 S CB -0.111 63.263 63.200 0.290 0.000 0.766 410 S HN 0.456 nan 8.310 nan 0.000 0.517 411 R N 0.018 120.607 120.500 0.149 0.000 2.317 411 R HA 0.202 4.542 4.340 0.000 0.000 0.208 411 R C 1.458 177.795 176.300 0.061 0.000 0.914 411 R CA 0.536 56.659 56.100 0.039 0.000 1.060 411 R CB 0.212 30.483 30.300 -0.048 0.000 1.015 411 R HN 0.427 nan 8.270 nan 0.000 0.498 412 G N 0.661 109.516 108.800 0.092 0.000 2.176 412 G HA2 -0.218 3.742 3.960 0.000 0.000 0.232 412 G HA3 -0.218 3.742 3.960 0.000 0.000 0.232 412 G C 0.178 175.127 174.900 0.081 0.000 0.986 412 G CA -0.552 44.624 45.100 0.125 0.000 0.643 412 G HN 0.096 nan 8.290 nan 0.000 0.522 413 L N 0.805 121.955 121.223 -0.121 0.000 2.525 413 L HA 0.329 4.669 4.340 0.000 0.000 0.278 413 L C 1.194 178.151 176.870 0.145 0.000 1.218 413 L CA 0.949 55.678 54.840 -0.185 0.000 0.878 413 L CB 0.325 42.100 42.059 -0.472 0.000 1.127 413 L HN 0.226 nan 8.230 nan 0.000 0.492 414 L N 1.958 123.293 121.223 0.187 0.000 2.267 414 L HA 0.294 4.634 4.340 0.000 0.000 0.264 414 L C 1.272 178.314 176.870 0.286 0.000 1.021 414 L CA -0.836 54.136 54.840 0.220 0.000 0.861 414 L CB 0.889 43.043 42.059 0.158 0.000 1.443 414 L HN 0.442 nan 8.230 nan 0.000 0.475 415 E N 0.082 120.402 120.200 0.200 0.000 2.065 415 E HA -0.247 4.103 4.350 0.000 0.000 0.201 415 E C 1.730 178.445 176.600 0.191 0.000 1.016 415 E CA 1.844 58.353 56.400 0.182 0.000 0.818 415 E CB -0.061 29.694 29.700 0.093 0.000 0.749 415 E HN 0.344 nan 8.360 nan 0.000 0.453 416 K N 0.421 120.911 120.400 0.151 0.000 2.063 416 K HA -0.180 4.140 4.320 0.000 0.000 0.208 416 K C 1.700 178.390 176.600 0.149 0.000 1.048 416 K CA 1.517 57.879 56.287 0.126 0.000 0.928 416 K CB -0.152 32.414 32.500 0.110 0.000 0.713 416 K HN 0.216 nan 8.250 nan 0.000 0.442 417 D N 0.149 120.674 120.400 0.208 0.000 2.117 417 D HA -0.150 4.490 4.640 0.000 0.000 0.197 417 D C 1.751 178.105 176.300 0.090 0.000 0.987 417 D CA 1.163 55.316 54.000 0.256 0.000 0.829 417 D CB -0.218 40.707 40.800 0.209 0.000 0.961 417 D HN 0.130 nan 8.370 nan 0.000 0.460 418 F N 1.441 121.459 119.950 0.113 0.000 2.407 418 F HA -0.041 4.486 4.527 0.000 0.000 0.299 418 F C 2.544 178.369 175.800 0.042 0.000 1.097 418 F CA 0.737 58.780 58.000 0.073 0.000 1.422 418 F CB -0.050 38.970 39.000 0.034 0.000 1.067 418 F HN -0.076 nan 8.300 nan 0.000 0.539 419 Q N -0.286 119.620 119.800 0.178 0.000 2.187 419 Q HA -0.176 4.164 4.340 0.000 0.000 0.199 419 Q C 2.124 178.183 176.000 0.098 0.000 0.957 419 Q CA 1.041 56.922 55.803 0.129 0.000 0.857 419 Q CB -0.165 28.636 28.738 0.106 0.000 0.929 419 Q HN 0.350 nan 8.270 nan 0.000 0.453 420 K N 0.570 120.928 120.400 -0.070 0.000 2.097 420 K HA -0.093 4.227 4.320 0.000 0.000 0.205 420 K C 1.981 178.328 176.600 -0.421 0.000 1.050 420 K CA 0.730 56.793 56.287 -0.375 0.000 0.938 420 K CB 0.159 32.278 32.500 -0.634 0.000 0.718 420 K HN -0.018 nan 8.250 nan 0.000 0.442 421 V N 1.248 121.083 119.914 -0.131 0.000 2.343 421 V HA -0.255 3.865 4.120 0.000 0.000 0.247 421 V C 2.336 178.482 176.094 0.087 0.000 1.051 421 V CA 1.983 64.335 62.300 0.087 0.000 1.036 421 V CB -0.639 31.219 31.823 0.059 0.000 0.654 421 V HN 0.457 nan 8.190 nan 0.000 0.451 422 A N -0.767 122.083 122.820 0.050 0.000 1.940 422 A HA -0.285 4.035 4.320 0.000 0.000 0.219 422 A C 1.985 179.522 177.584 -0.079 0.000 1.176 422 A CA 2.284 54.307 52.037 -0.024 0.000 0.631 422 A CB -0.775 18.186 19.000 -0.066 0.000 0.814 422 A HN 0.694 nan 8.150 nan 0.000 0.446 423 H N -1.986 117.026 119.070 -0.097 0.000 2.389 423 H HA -0.009 4.547 4.556 0.000 0.000 0.299 423 H C 1.681 177.018 175.328 0.015 0.000 1.081 423 H CA 1.897 57.903 56.048 -0.070 0.000 1.345 423 H CB -0.243 29.381 29.762 -0.230 0.000 1.393 423 H HN 0.509 nan 8.280 nan 0.000 0.520 424 F N 0.274 120.288 119.950 0.107 0.000 2.102 424 F HA -0.144 4.383 4.527 0.000 0.000 0.298 424 F C 2.299 178.130 175.800 0.051 0.000 1.105 424 F CA 0.962 58.997 58.000 0.057 0.000 1.239 424 F CB -0.818 38.197 39.000 0.025 0.000 0.991 424 F HN 0.133 nan 8.300 nan 0.000 0.474 425 I N -0.894 119.813 120.570 0.228 0.000 2.208 425 I HA -0.348 3.822 4.170 0.000 0.000 0.245 425 I C 2.529 178.704 176.117 0.096 0.000 1.097 425 I CA 1.755 63.118 61.300 0.106 0.000 1.363 425 I CB -0.596 37.411 38.000 0.011 0.000 1.051 425 I HN 0.161 nan 8.210 nan 0.000 0.413 426 H N 1.667 120.735 119.070 -0.003 0.000 2.321 426 H HA -0.097 4.459 4.556 0.000 0.000 0.300 426 H C 2.347 177.750 175.328 0.126 0.000 1.087 426 H CA 1.682 57.773 56.048 0.071 0.000 1.319 426 H CB -0.007 29.785 29.762 0.050 0.000 1.379 426 H HN 0.052 nan 8.280 nan 0.000 0.501 427 R N -0.282 120.239 120.500 0.035 0.000 2.117 427 R HA -0.111 4.229 4.340 0.000 0.000 0.243 427 R C 2.561 178.865 176.300 0.007 0.000 1.143 427 R CA 1.116 57.211 56.100 -0.007 0.000 0.968 427 R CB -1.045 29.332 30.300 0.128 0.000 0.863 427 R HN 0.526 nan 8.270 nan 0.000 0.444 428 G N 1.761 110.598 108.800 0.061 0.000 2.421 428 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 428 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 428 G C 1.451 176.384 174.900 0.055 0.000 1.171 428 G CA 0.341 45.478 45.100 0.060 0.000 0.775 428 G HN 0.087 nan 8.290 nan 0.000 0.543 429 I N 1.379 121.989 120.570 0.067 0.000 2.226 429 I HA -0.119 4.051 4.170 0.000 0.000 0.245 429 I C 2.575 178.727 176.117 0.057 0.000 1.100 429 I CA 1.021 62.385 61.300 0.107 0.000 1.374 429 I CB -1.288 36.870 38.000 0.264 0.000 1.057 429 I HN 0.364 nan 8.210 nan 0.000 0.413 430 E N 0.437 120.617 120.200 -0.035 0.000 2.077 430 E HA -0.244 4.106 4.350 0.000 0.000 0.193 430 E C 2.188 178.791 176.600 0.005 0.000 0.989 430 E CA 0.963 57.331 56.400 -0.054 0.000 0.800 430 E CB -0.237 29.372 29.700 -0.152 0.000 0.746 430 E HN 0.247 nan 8.360 nan 0.000 0.452 431 L N 1.342 122.573 121.223 0.015 0.000 2.046 431 L HA -0.167 4.173 4.340 0.000 0.000 0.208 431 L C 2.611 179.495 176.870 0.023 0.000 1.077 431 L CA 2.492 57.346 54.840 0.023 0.000 0.747 431 L CB -1.105 40.971 42.059 0.028 0.000 0.896 431 L HN 0.211 nan 8.230 nan 0.000 0.432 432 T N -3.584 111.025 114.554 0.092 0.000 2.788 432 T HA -0.166 4.184 4.350 0.000 0.000 0.268 432 T C 1.877 176.717 174.700 0.232 0.000 1.044 432 T CA 1.716 63.957 62.100 0.234 0.000 1.139 432 T CB -1.082 67.907 68.868 0.202 0.000 0.867 432 T HN 0.145 nan 8.240 nan 0.000 0.454 433 V N 1.757 121.740 119.914 0.116 0.000 2.343 433 V HA -0.195 3.925 4.120 0.000 0.000 0.247 433 V C 2.994 179.140 176.094 0.086 0.000 1.051 433 V CA 2.077 64.432 62.300 0.091 0.000 1.036 433 V CB -0.908 30.946 31.823 0.052 0.000 0.654 433 V HN 0.549 nan 8.190 nan 0.000 0.451 434 Q N -0.331 119.500 119.800 0.052 0.000 2.030 434 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 434 Q C 2.202 178.185 176.000 -0.027 0.000 0.986 434 Q CA 2.127 57.957 55.803 0.046 0.000 0.843 434 Q CB -0.325 28.468 28.738 0.092 0.000 0.904 434 Q HN 0.588 nan 8.270 nan 0.000 0.420 435 I N 0.415 120.846 120.570 -0.231 0.000 2.657 435 I HA -0.295 3.875 4.170 0.000 0.000 0.261 435 I C 2.440 178.533 176.117 -0.040 0.000 1.212 435 I CA 1.015 62.060 61.300 -0.425 0.000 1.453 435 I CB -0.260 37.250 38.000 -0.817 0.000 1.092 435 I HN 0.333 nan 8.210 nan 0.000 0.452 436 Q N 0.643 120.561 119.800 0.197 0.000 2.165 436 Q HA -0.150 4.190 4.340 0.000 0.000 0.197 436 Q C 1.654 177.726 176.000 0.121 0.000 0.952 436 Q CA 0.997 56.949 55.803 0.247 0.000 0.848 436 Q CB 0.291 29.150 28.738 0.201 0.000 0.931 436 Q HN 0.400 nan 8.270 nan 0.000 0.470 437 D N 0.660 121.112 120.400 0.087 0.000 2.144 437 D HA -0.128 4.512 4.640 0.000 0.000 0.200 437 D C 1.012 177.352 176.300 0.066 0.000 0.978 437 D CA 1.081 55.120 54.000 0.066 0.000 0.833 437 D CB -0.062 40.774 40.800 0.059 0.000 0.961 437 D HN 0.261 nan 8.370 nan 0.000 0.470 438 D N -0.837 119.609 120.400 0.077 0.000 2.264 438 D HA -0.077 4.563 4.640 0.000 0.000 0.208 438 D C 1.747 178.082 176.300 0.059 0.000 0.966 438 D CA 0.834 54.882 54.000 0.079 0.000 0.864 438 D CB 0.079 40.961 40.800 0.138 0.000 0.933 438 D HN 0.070 nan 8.370 nan 0.000 0.499 439 T N -1.362 113.231 114.554 0.065 0.000 3.037 439 T HA 0.379 4.729 4.350 0.000 0.000 0.251 439 T C 0.583 175.320 174.700 0.061 0.000 1.079 439 T CA 0.773 62.913 62.100 0.067 0.000 1.067 439 T CB -0.079 68.853 68.868 0.108 0.000 0.948 439 T HN 0.279 nan 8.240 nan 0.000 0.496 440 G N 1.318 110.152 108.800 0.057 0.000 2.788 440 G HA2 -0.069 3.891 3.960 0.000 0.000 0.686 440 G HA3 -0.069 3.891 3.960 0.000 0.000 0.686 440 G C -2.003 172.922 174.900 0.042 0.000 1.147 440 G CA -0.545 44.581 45.100 0.043 0.000 0.755 440 G HN 0.060 nan 8.290 nan 0.000 0.634 441 P HA -0.088 nan 4.420 nan 0.000 0.218 441 P C 0.806 178.116 177.300 0.018 0.000 1.146 441 P CA 1.749 64.862 63.100 0.022 0.000 0.820 441 P CB 0.043 31.752 31.700 0.015 0.000 0.778 442 R N -0.892 119.621 120.500 0.021 0.000 2.473 442 R HA 0.796 5.136 4.340 0.000 0.000 0.303 442 R C -1.375 174.941 176.300 0.027 0.000 1.002 442 R CA -0.890 55.220 56.100 0.018 0.000 0.884 442 R CB 1.656 31.963 30.300 0.013 0.000 1.173 442 R HN -0.162 nan 8.270 nan 0.000 0.464 443 A N 1.879 124.717 122.820 0.030 0.000 2.594 443 A HA 0.481 4.801 4.320 0.000 0.000 0.296 443 A C -0.219 177.389 177.584 0.041 0.000 1.061 443 A CA -0.667 51.397 52.037 0.044 0.000 0.689 443 A CB 1.566 20.609 19.000 0.071 0.000 1.280 443 A HN 0.828 nan 8.150 nan 0.000 0.406 444 T N -0.354 114.225 114.554 0.042 0.000 2.748 444 T HA 0.326 4.676 4.350 0.000 0.000 0.304 444 T C 1.116 175.852 174.700 0.059 0.000 1.041 444 T CA 0.378 62.499 62.100 0.036 0.000 1.033 444 T CB 0.288 69.176 68.868 0.034 0.000 0.995 444 T HN 1.324 nan 8.240 nan 0.000 0.536 445 L N 0.771 122.018 121.223 0.040 0.000 2.156 445 L HA 0.097 4.438 4.340 0.000 0.000 0.208 445 L C 2.413 179.358 176.870 0.125 0.000 1.095 445 L CA 1.859 56.734 54.840 0.059 0.000 0.770 445 L CB -1.166 40.898 42.059 0.008 0.000 0.914 445 L HN 0.923 nan 8.230 nan 0.000 0.439 446 K N -0.798 119.652 120.400 0.083 0.000 2.211 446 K HA -0.112 4.208 4.320 0.000 0.000 0.203 446 K C 1.700 178.348 176.600 0.080 0.000 1.050 446 K CA 1.679 58.011 56.287 0.075 0.000 0.945 446 K CB -0.560 31.968 32.500 0.046 0.000 0.732 446 K HN 0.428 nan 8.250 nan 0.000 0.451 447 E N -0.147 120.107 120.200 0.090 0.000 2.072 447 E HA -0.094 4.256 4.350 0.000 0.000 0.190 447 E C 1.648 178.303 176.600 0.092 0.000 0.982 447 E CA 0.951 57.396 56.400 0.076 0.000 0.803 447 E CB -0.244 29.500 29.700 0.072 0.000 0.755 447 E HN 0.362 nan 8.360 nan 0.000 0.453 448 F N 2.893 122.838 119.950 -0.009 0.000 2.095 448 F HA -0.255 4.272 4.527 0.000 0.000 0.298 448 F C 2.156 177.942 175.800 -0.023 0.000 1.104 448 F CA 1.995 59.983 58.000 -0.020 0.000 1.232 448 F CB -0.047 38.939 39.000 -0.022 0.000 0.987 448 F HN -0.153 nan 8.300 nan 0.000 0.475 449 K N -0.020 120.445 120.400 0.109 0.000 2.097 449 K HA -0.180 4.140 4.320 0.000 0.000 0.206 449 K C 1.749 178.300 176.600 -0.081 0.000 1.049 449 K CA 1.898 58.186 56.287 0.003 0.000 0.933 449 K CB -0.730 31.827 32.500 0.095 0.000 0.717 449 K HN 0.388 nan 8.250 nan 0.000 0.442 450 E N 1.176 121.348 120.200 -0.047 0.000 2.051 450 E HA -0.178 4.172 4.350 0.000 0.000 0.192 450 E C 2.022 178.576 176.600 -0.077 0.000 0.991 450 E CA 1.155 57.529 56.400 -0.042 0.000 0.799 450 E CB -0.018 29.674 29.700 -0.013 0.000 0.748 450 E HN 0.163 nan 8.360 nan 0.000 0.449 451 K N 1.074 121.401 120.400 -0.122 0.000 2.147 451 K HA -0.160 4.160 4.320 0.000 0.000 0.205 451 K C 1.947 178.443 176.600 -0.174 0.000 1.049 451 K CA 0.608 56.820 56.287 -0.126 0.000 0.936 451 K CB -0.253 32.148 32.500 -0.164 0.000 0.722 451 K HN 0.055 nan 8.250 nan 0.000 0.446 452 L N -0.309 120.721 121.223 -0.321 0.000 2.072 452 L HA 0.091 4.431 4.340 0.000 0.000 0.205 452 L C 1.859 178.660 176.870 -0.116 0.000 1.079 452 L CA 2.216 56.871 54.840 -0.308 0.000 0.752 452 L CB -0.810 41.008 42.059 -0.401 0.000 0.906 452 L HN 0.123 nan 8.230 nan 0.000 0.436 453 A N -1.183 121.586 122.820 -0.084 0.000 2.195 453 A HA 0.419 4.739 4.320 0.000 0.000 0.210 453 A C 1.618 179.190 177.584 -0.019 0.000 1.165 453 A CA 0.474 52.489 52.037 -0.036 0.000 0.806 453 A CB -0.618 18.366 19.000 -0.027 0.000 0.847 453 A HN 0.485 nan 8.150 nan 0.000 0.482 454 G N -0.265 108.523 108.800 -0.021 0.000 4.912 454 G HA2 0.442 4.402 3.960 0.000 0.000 0.307 454 G HA3 0.442 4.402 3.960 0.000 0.000 0.307 454 G C -1.014 173.888 174.900 0.003 0.000 1.381 454 G CA 0.023 45.118 45.100 -0.008 0.000 1.057 454 G HN 0.164 nan 8.290 nan 0.000 0.593 455 D N 0.418 120.828 120.400 0.017 0.000 2.616 455 D HA 0.115 4.755 4.640 0.000 0.000 0.238 455 D C 0.778 177.062 176.300 -0.027 0.000 1.354 455 D CA -0.398 53.608 54.000 0.010 0.000 0.970 455 D CB 1.606 42.468 40.800 0.103 0.000 1.369 455 D HN 0.003 nan 8.370 nan 0.000 0.585 456 E N 2.629 122.799 120.200 -0.051 0.000 2.072 456 E HA -0.262 4.088 4.350 0.000 0.000 0.218 456 E C 1.671 178.223 176.600 -0.080 0.000 1.051 456 E CA 1.515 57.882 56.400 -0.055 0.000 0.880 456 E CB 0.005 29.671 29.700 -0.057 0.000 0.783 456 E HN 0.567 nan 8.360 nan 0.000 0.473 457 K N 0.399 120.704 120.400 -0.158 0.000 2.074 457 K HA -0.169 4.151 4.320 0.000 0.000 0.209 457 K C 2.020 178.519 176.600 -0.167 0.000 1.048 457 K CA 1.444 57.607 56.287 -0.206 0.000 0.926 457 K CB -0.798 31.499 32.500 -0.339 0.000 0.713 457 K HN 0.361 nan 8.250 nan 0.000 0.444 458 H N 1.021 120.069 119.070 -0.036 0.000 2.266 458 H HA -0.023 4.533 4.556 0.000 0.000 0.308 458 H C 2.279 177.582 175.328 -0.042 0.000 1.057 458 H CA 1.461 57.481 56.048 -0.047 0.000 1.330 458 H CB -0.580 29.135 29.762 -0.078 0.000 1.400 458 H HN 0.142 nan 8.280 nan 0.000 0.503 459 Q N 1.313 121.165 119.800 0.087 0.000 2.268 459 Q HA -0.192 4.148 4.340 0.000 0.000 0.210 459 Q C 2.355 178.369 176.000 0.023 0.000 0.988 459 Q CA 1.661 57.483 55.803 0.033 0.000 0.883 459 Q CB -0.123 28.623 28.738 0.013 0.000 0.911 459 Q HN 0.290 nan 8.270 nan 0.000 0.430 460 R N -1.216 119.296 120.500 0.019 0.000 2.093 460 R HA 0.033 4.373 4.340 0.000 0.000 0.224 460 R C 1.996 178.307 176.300 0.019 0.000 1.101 460 R CA 1.141 57.245 56.100 0.008 0.000 0.979 460 R CB -0.348 29.946 30.300 -0.010 0.000 0.877 460 R HN 0.295 nan 8.270 nan 0.000 0.441 461 A N 0.130 122.974 122.820 0.040 0.000 1.898 461 A HA -0.079 4.241 4.320 0.000 0.000 0.216 461 A C 2.193 179.801 177.584 0.040 0.000 1.181 461 A CA 1.483 53.552 52.037 0.052 0.000 0.620 461 A CB -0.541 18.520 19.000 0.101 0.000 0.819 461 A HN 0.202 nan 8.150 nan 0.000 0.442 462 V N 0.097 120.032 119.914 0.035 0.000 2.261 462 V HA -0.284 3.836 4.120 0.000 0.000 0.246 462 V C 2.647 178.746 176.094 0.009 0.000 1.047 462 V CA 2.372 64.683 62.300 0.019 0.000 1.015 462 V CB -0.817 31.013 31.823 0.012 0.000 0.642 462 V HN 0.687 nan 8.190 nan 0.000 0.446 463 R N 0.139 120.644 120.500 0.008 0.000 2.096 463 R HA -0.229 4.111 4.340 0.000 0.000 0.240 463 R C 2.259 178.560 176.300 0.001 0.000 1.139 463 R CA 1.956 58.058 56.100 0.003 0.000 0.952 463 R CB -0.497 29.805 30.300 0.003 0.000 0.854 463 R HN 0.505 nan 8.270 nan 0.000 0.436 464 A N 0.776 123.602 122.820 0.009 0.000 1.902 464 A HA -0.151 4.169 4.320 0.000 0.000 0.217 464 A C 2.015 179.604 177.584 0.010 0.000 1.181 464 A CA 1.232 53.277 52.037 0.013 0.000 0.623 464 A CB -0.556 18.458 19.000 0.022 0.000 0.818 464 A HN 0.391 nan 8.150 nan 0.000 0.443 465 L N -0.265 120.963 121.223 0.009 0.000 2.109 465 L HA -0.024 4.316 4.340 0.000 0.000 0.207 465 L C 2.373 179.196 176.870 -0.078 0.000 1.086 465 L CA 1.993 56.828 54.840 -0.009 0.000 0.760 465 L CB -0.665 41.405 42.059 0.018 0.000 0.910 465 L HN 0.438 nan 8.230 nan 0.000 0.437 466 R N -0.615 119.854 120.500 -0.052 0.000 2.083 466 R HA -0.244 4.096 4.340 0.000 0.000 0.237 466 R C 2.323 178.577 176.300 -0.075 0.000 1.137 466 R CA 2.082 58.143 56.100 -0.065 0.000 0.951 466 R CB -0.367 29.913 30.300 -0.032 0.000 0.851 466 R HN 0.619 nan 8.270 nan 0.000 0.434 467 Q N 0.458 120.231 119.800 -0.045 0.000 2.045 467 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 467 Q C 1.746 177.722 176.000 -0.040 0.000 0.991 467 Q CA 2.176 57.961 55.803 -0.029 0.000 0.851 467 Q CB -0.003 28.731 28.738 -0.007 0.000 0.911 467 Q HN 0.491 nan 8.270 nan 0.000 0.418 468 E N -0.552 119.612 120.200 -0.059 0.000 2.077 468 E HA -0.166 4.185 4.350 0.000 0.000 0.193 468 E C 2.141 178.593 176.600 -0.247 0.000 0.989 468 E CA 1.368 57.734 56.400 -0.057 0.000 0.800 468 E CB 0.006 29.730 29.700 0.039 0.000 0.746 468 E HN 0.210 nan 8.360 nan 0.000 0.452 469 V N 1.949 121.571 119.914 -0.486 0.000 2.287 469 V HA -0.271 3.849 4.120 0.000 0.000 0.248 469 V C 2.051 178.059 176.094 -0.144 0.000 1.053 469 V CA 2.016 63.980 62.300 -0.560 0.000 1.027 469 V CB -0.456 31.109 31.823 -0.431 0.000 0.646 469 V HN 0.266 nan 8.190 nan 0.000 0.447 470 E N -0.256 119.895 120.200 -0.081 0.000 2.152 470 E HA -0.116 4.234 4.350 0.000 0.000 0.192 470 E C 2.368 178.981 176.600 0.022 0.000 0.983 470 E CA 1.254 57.645 56.400 -0.014 0.000 0.818 470 E CB -0.159 29.530 29.700 -0.018 0.000 0.758 470 E HN 0.526 nan 8.360 nan 0.000 0.467 471 S N 0.951 116.674 115.700 0.038 0.000 2.368 471 S HA -0.123 4.347 4.470 0.000 0.000 0.224 471 S C 1.616 176.291 174.600 0.123 0.000 1.029 471 S CA 0.742 58.980 58.200 0.064 0.000 0.988 471 S CB -0.263 62.981 63.200 0.074 0.000 0.838 471 S HN 0.271 nan 8.310 nan 0.000 0.462 472 F N 2.654 122.633 119.950 0.048 0.000 2.186 472 F HA 0.021 4.548 4.527 0.000 0.000 0.299 472 F C 2.248 178.182 175.800 0.224 0.000 1.090 472 F CA 0.745 58.836 58.000 0.152 0.000 1.307 472 F CB -0.727 38.455 39.000 0.303 0.000 1.019 472 F HN 0.163 nan 8.300 nan 0.000 0.489 473 A N 0.451 123.325 122.820 0.090 0.000 1.898 473 A HA 0.019 4.339 4.320 0.000 0.000 0.216 473 A C 2.346 179.958 177.584 0.047 0.000 1.181 473 A CA 1.410 53.483 52.037 0.061 0.000 0.620 473 A CB -1.526 17.508 19.000 0.057 0.000 0.819 473 A HN 0.437 nan 8.150 nan 0.000 0.442 474 A N -0.594 122.215 122.820 -0.019 0.000 2.225 474 A HA 0.091 4.411 4.320 0.000 0.000 0.215 474 A C 1.906 179.396 177.584 -0.156 0.000 1.164 474 A CA 0.983 52.985 52.037 -0.058 0.000 0.710 474 A CB -0.572 18.401 19.000 -0.044 0.000 0.780 474 A HN 0.486 nan 8.150 nan 0.000 0.473 475 L N -1.565 119.464 121.223 -0.323 0.000 2.376 475 L HA 0.036 4.376 4.340 0.000 0.000 0.219 475 L C -0.075 176.304 176.870 -0.818 0.000 1.133 475 L CA 0.189 54.650 54.840 -0.632 0.000 0.816 475 L CB -0.165 41.314 42.059 -0.966 0.000 0.933 475 L HN 0.371 nan 8.230 nan 0.000 0.449 476 F N -0.464 119.366 119.950 -0.200 0.000 2.507 476 F HA 0.455 4.982 4.527 0.000 0.000 0.327 476 F C -1.798 173.916 175.800 -0.142 0.000 1.068 476 F CA -2.922 54.978 58.000 -0.166 0.000 0.965 476 F CB 0.104 38.988 39.000 -0.194 0.000 1.192 476 F HN -0.256 nan 8.300 nan 0.000 0.476 477 P HA 0.175 nan 4.420 nan 0.000 0.274 477 P C -1.203 176.039 177.300 -0.097 0.000 1.237 477 P CA -0.271 62.812 63.100 -0.029 0.000 0.793 477 P CB 1.654 33.342 31.700 -0.019 0.000 0.977 478 L N 3.734 124.867 121.223 -0.150 0.000 2.366 478 L HA 0.467 4.807 4.340 0.000 0.000 0.266 478 L C -2.445 174.286 176.870 -0.232 0.000 1.010 478 L CA -2.336 52.328 54.840 -0.293 0.000 0.879 478 L CB 0.308 42.220 42.059 -0.246 0.000 1.228 478 L HN 0.192 nan 8.230 nan 0.000 0.439 479 P HA 0.499 nan 4.420 nan 0.000 0.267 479 P C 0.068 177.357 177.300 -0.019 0.000 1.195 479 P CA 0.402 63.453 63.100 -0.081 0.000 0.773 479 P CB 0.486 32.186 31.700 -0.001 0.000 0.837 480 G N -0.353 108.461 108.800 0.022 0.000 2.334 480 G HA2 0.015 3.975 3.960 0.000 0.000 0.315 480 G HA3 0.015 3.975 3.960 0.000 0.000 0.315 480 G C -1.418 173.477 174.900 -0.009 0.000 1.284 480 G CA -1.070 44.072 45.100 0.070 0.000 0.985 480 G HN 0.541 nan 8.290 nan 0.000 0.504 481 L N 1.822 123.015 121.223 -0.050 0.000 2.456 481 L HA 0.230 4.570 4.340 0.000 0.000 0.272 481 L C -0.467 176.192 176.870 -0.350 0.000 1.189 481 L CA -1.107 53.584 54.840 -0.249 0.000 0.846 481 L CB 0.608 42.401 42.059 -0.445 0.000 1.111 481 L HN 0.525 nan 8.230 nan 0.000 0.475 482 P HA -0.223 nan 4.420 nan 0.000 0.236 482 P C -0.052 177.109 177.300 -0.231 0.000 0.829 482 P CA 1.114 64.091 63.100 -0.204 0.000 1.112 482 P CB 0.002 31.599 31.700 -0.171 0.000 0.704 483 G N -1.984 106.675 108.800 -0.234 0.000 2.574 483 G HA2 0.534 4.494 3.960 0.000 0.000 0.306 483 G HA3 0.534 4.494 3.960 0.000 0.000 0.306 483 G C -0.963 173.844 174.900 -0.154 0.000 1.334 483 G CA -0.291 44.718 45.100 -0.150 0.000 0.954 483 G HN -0.041 nan 8.290 nan 0.000 0.500 484 F N 0.000 119.935 119.950 -0.026 0.000 2.286 484 F HA 0.000 4.527 4.527 0.000 0.000 0.279 484 F CA 0.000 57.950 58.000 -0.084 0.000 1.383 484 F CB 0.000 38.921 39.000 -0.132 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574