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 2eer_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRAMRLVEIG KPLKLEDIPI PKPKGSQVLI KIEAAGVCHS DVHMRQGRFG DATA SEQUENCE NLRIVEDLGV KLPVTLGHEI AGRIEEVGDE VVGYSKGDLV AVNPWEGEGN DATA SEQUENCE CYYCRIGEEH LCDSPRWLGI NYDGAYAEYV LVPHYKYLYK LRRLSAVEAA DATA SEQUENCE PLTCSGVTTY RAVRKASLDP SKTLVVIGAG GGLGTMAIQI AKAVSGATII DATA SEQUENCE GVDVREEALE AAKRAGADYV INASSQDPVS EIRRITQGKG ADAVIDLNNS DATA SEQUENCE EKTLSIYPYV LAKQGKYVMV GLFGADLKYH APLITLNEVQ FIGSLVGNQS DATA SEQUENCE DFLGIMSLAE AGKVKPMVTK TMKLEEANEA IDNLENFKAV GRQVLVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.347 176.300 0.078 0.000 1.140 1 M CA 0.000 55.371 55.300 0.118 0.000 0.988 1 M CB 0.000 32.731 32.600 0.219 0.000 1.302 2 R N 1.080 121.616 120.500 0.060 0.000 2.539 2 R HA 0.836 5.176 4.340 -0.000 0.000 0.275 2 R C -0.629 175.700 176.300 0.048 0.000 1.077 2 R CA 0.188 56.312 56.100 0.038 0.000 1.097 2 R CB 1.417 31.727 30.300 0.017 0.000 1.018 2 R HN 0.805 nan 8.270 nan 0.000 0.483 3 A N 2.968 125.815 122.820 0.046 0.000 2.555 3 A HA 0.390 4.710 4.320 -0.000 0.000 0.297 3 A C -1.143 176.479 177.584 0.062 0.000 1.060 3 A CA -0.822 51.255 52.037 0.066 0.000 0.710 3 A CB 1.589 20.631 19.000 0.071 0.000 1.282 3 A HN 0.450 nan 8.150 nan 0.000 0.399 4 M N 2.996 122.651 119.600 0.093 0.000 2.055 4 M HA 0.349 4.829 4.480 -0.000 0.000 0.347 4 M C -0.004 176.374 176.300 0.130 0.000 1.123 4 M CA 0.235 55.583 55.300 0.081 0.000 1.035 4 M CB 0.140 32.759 32.600 0.031 0.000 1.484 4 M HN 0.741 nan 8.290 nan 0.000 0.428 5 R N 1.703 122.254 120.500 0.085 0.000 2.732 5 R HA 0.677 5.017 4.340 -0.000 0.000 0.278 5 R C -0.747 175.594 176.300 0.069 0.000 0.976 5 R CA -1.177 54.973 56.100 0.083 0.000 0.963 5 R CB 1.786 32.120 30.300 0.056 0.000 1.150 5 R HN 0.408 nan 8.270 nan 0.000 0.478 6 L N 2.931 124.197 121.223 0.070 0.000 2.283 6 L HA 0.114 4.454 4.340 -0.000 0.000 0.287 6 L C 0.567 177.460 176.870 0.037 0.000 1.073 6 L CA 0.134 55.007 54.840 0.055 0.000 0.822 6 L CB 1.405 43.504 42.059 0.066 0.000 1.186 6 L HN 0.718 nan 8.230 nan 0.000 0.436 7 V N 1.206 121.136 119.914 0.026 0.000 3.379 7 V HA 0.425 4.544 4.120 -0.000 0.000 0.249 7 V C 0.446 176.547 176.094 0.012 0.000 1.184 7 V CA 0.176 62.486 62.300 0.017 0.000 1.106 7 V CB -0.105 31.726 31.823 0.013 0.000 0.826 7 V HN 0.786 nan 8.190 nan 0.000 0.465 8 E N 0.931 121.137 120.200 0.010 0.000 2.321 8 E HA 0.443 4.793 4.350 -0.000 0.000 0.281 8 E C -0.641 175.961 176.600 0.002 0.000 0.910 8 E CA -0.852 55.551 56.400 0.005 0.000 0.770 8 E CB 2.595 32.296 29.700 0.001 0.000 1.225 8 E HN 0.567 nan 8.360 nan 0.000 0.417 9 I N 1.160 121.730 120.570 0.000 0.000 2.938 9 I HA 0.461 4.631 4.170 -0.000 0.000 0.285 9 I C 1.107 177.217 176.117 -0.012 0.000 1.182 9 I CA 0.897 62.193 61.300 -0.007 0.000 1.388 9 I CB 0.622 38.617 38.000 -0.009 0.000 1.390 9 I HN 0.781 nan 8.210 nan 0.000 0.600 10 G N 2.984 111.772 108.800 -0.020 0.000 2.189 10 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.267 10 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.267 10 G C 0.130 175.017 174.900 -0.022 0.000 0.975 10 G CA 0.327 45.413 45.100 -0.023 0.000 0.644 10 G HN 0.712 nan 8.290 nan 0.000 0.537 11 K N 0.479 120.869 120.400 -0.018 0.000 2.375 11 K HA 0.533 4.853 4.320 -0.000 0.000 0.249 11 K C -2.418 174.172 176.600 -0.016 0.000 0.942 11 K CA -2.012 54.265 56.287 -0.016 0.000 0.806 11 K CB 2.361 34.855 32.500 -0.010 0.000 1.227 11 K HN 0.076 nan 8.250 nan 0.000 0.430 12 P HA 0.082 nan 4.420 nan 0.000 0.268 12 P C -0.035 177.260 177.300 -0.009 0.000 1.208 12 P CA -0.203 62.884 63.100 -0.022 0.000 0.777 12 P CB 0.573 32.256 31.700 -0.028 0.000 0.875 13 L N 1.226 122.446 121.223 -0.004 0.000 2.483 13 L HA 0.142 4.481 4.340 -0.000 0.000 0.276 13 L C 1.203 178.075 176.870 0.004 0.000 1.213 13 L CA 0.291 55.139 54.840 0.015 0.000 0.843 13 L CB -0.209 41.869 42.059 0.031 0.000 1.107 13 L HN 0.436 nan 8.230 nan 0.000 0.487 14 K N 2.838 123.246 120.400 0.014 0.000 2.206 14 K HA 0.360 4.680 4.320 -0.000 0.000 0.264 14 K C -0.932 175.675 176.600 0.011 0.000 0.967 14 K CA -0.942 55.349 56.287 0.007 0.000 0.844 14 K CB 1.559 34.064 32.500 0.008 0.000 1.099 14 K HN 0.317 nan 8.250 nan 0.000 0.441 15 L N 4.162 125.386 121.223 0.003 0.000 2.410 15 L HA 0.202 4.542 4.340 -0.000 0.000 0.273 15 L C -0.602 176.275 176.870 0.011 0.000 1.144 15 L CA 0.955 55.798 54.840 0.005 0.000 0.863 15 L CB 0.403 42.459 42.059 -0.005 0.000 1.140 15 L HN 0.688 nan 8.230 nan 0.000 0.463 16 E N 2.731 122.943 120.200 0.020 0.000 2.423 16 E HA 0.293 4.643 4.350 -0.000 0.000 0.269 16 E C -1.469 175.146 176.600 0.025 0.000 0.948 16 E CA -0.729 55.683 56.400 0.020 0.000 0.802 16 E CB 2.026 31.739 29.700 0.023 0.000 1.339 16 E HN 0.525 nan 8.360 nan 0.000 0.445 17 D N 1.515 121.929 120.400 0.023 0.000 2.454 17 D HA 0.353 4.993 4.640 -0.000 0.000 0.247 17 D C -0.765 175.551 176.300 0.027 0.000 1.129 17 D CA -0.396 53.620 54.000 0.027 0.000 0.877 17 D CB 0.247 41.060 40.800 0.021 0.000 1.082 17 D HN 0.390 nan 8.370 nan 0.000 0.537 18 I N 0.133 120.724 120.570 0.035 0.000 2.797 18 I HA 0.739 4.909 4.170 -0.000 0.000 0.307 18 I C -2.427 173.710 176.117 0.033 0.000 1.033 18 I CA -2.650 58.668 61.300 0.030 0.000 1.071 18 I CB 2.087 40.105 38.000 0.031 0.000 1.255 18 I HN 0.091 nan 8.210 nan 0.000 0.445 19 P HA 0.218 nan 4.420 nan 0.000 0.269 19 P C -0.501 176.804 177.300 0.009 0.000 1.215 19 P CA 0.086 63.192 63.100 0.009 0.000 0.780 19 P CB 1.003 32.703 31.700 -0.002 0.000 0.898 20 I N 3.434 123.991 120.570 -0.022 0.000 2.471 20 I HA 0.131 4.301 4.170 -0.000 0.000 0.286 20 I C -1.708 174.362 176.117 -0.078 0.000 1.079 20 I CA -1.979 59.276 61.300 -0.075 0.000 1.398 20 I CB 0.092 37.949 38.000 -0.237 0.000 1.403 20 I HN 0.198 nan 8.210 nan 0.000 0.530 21 P HA 0.086 nan 4.420 nan 0.000 0.268 21 P C -1.136 176.130 177.300 -0.057 0.000 1.208 21 P CA -0.163 62.919 63.100 -0.029 0.000 0.777 21 P CB 0.406 32.110 31.700 0.007 0.000 0.875 22 K N 3.437 123.816 120.400 -0.034 0.000 2.389 22 K HA 0.330 4.649 4.320 -0.000 0.000 0.261 22 K C -2.305 174.285 176.600 -0.016 0.000 1.014 22 K CA -1.818 54.447 56.287 -0.037 0.000 0.920 22 K CB 1.149 33.630 32.500 -0.031 0.000 1.149 22 K HN 0.397 nan 8.250 nan 0.000 0.444 23 P HA 0.099 nan 4.420 nan 0.000 0.271 23 P C -1.034 176.266 177.300 0.001 0.000 1.216 23 P CA -0.223 62.877 63.100 -0.000 0.000 0.776 23 P CB 1.007 32.707 31.700 -0.001 0.000 0.881 24 K N 1.063 121.469 120.400 0.009 0.000 2.482 24 K HA 0.572 4.892 4.320 -0.000 0.000 0.257 24 K C 0.637 177.246 176.600 0.014 0.000 0.969 24 K CA -0.537 55.756 56.287 0.010 0.000 0.842 24 K CB 1.765 34.273 32.500 0.013 0.000 1.359 24 K HN 0.638 nan 8.250 nan 0.000 0.441 25 G N 0.907 109.715 108.800 0.013 0.000 2.634 25 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.318 25 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.318 25 G C 0.678 175.585 174.900 0.011 0.000 1.207 25 G CA 0.701 45.811 45.100 0.017 0.000 0.987 25 G HN 0.499 nan 8.290 nan 0.000 0.547 26 S N 1.785 117.482 115.700 -0.006 0.000 2.575 26 S HA 0.222 4.692 4.470 -0.000 0.000 0.215 26 S C 1.053 175.633 174.600 -0.033 0.000 0.966 26 S CA 0.743 58.913 58.200 -0.049 0.000 0.911 26 S CB 0.112 63.095 63.200 -0.362 0.000 0.780 26 S HN 0.586 nan 8.310 nan 0.000 0.514 27 Q N 0.906 120.708 119.800 0.002 0.000 2.443 27 Q HA 0.410 4.750 4.340 -0.000 0.000 0.232 27 Q C -0.713 175.303 176.000 0.027 0.000 1.026 27 Q CA 0.054 55.872 55.803 0.026 0.000 0.924 27 Q CB 0.750 29.507 28.738 0.032 0.000 1.256 27 Q HN 0.054 nan 8.270 nan 0.000 0.519 28 V N 1.757 121.688 119.914 0.028 0.000 2.733 28 V HA 0.261 4.381 4.120 -0.000 0.000 0.306 28 V C -1.236 174.872 176.094 0.024 0.000 1.084 28 V CA -0.841 61.468 62.300 0.016 0.000 0.905 28 V CB 1.823 33.642 31.823 -0.005 0.000 1.010 28 V HN 0.537 nan 8.190 nan 0.000 0.424 29 L N 6.184 127.423 121.223 0.026 0.000 2.264 29 L HA 0.625 4.965 4.340 -0.000 0.000 0.289 29 L C -0.696 176.228 176.870 0.089 0.000 1.044 29 L CA 0.245 55.113 54.840 0.047 0.000 0.807 29 L CB 0.772 42.834 42.059 0.006 0.000 1.192 29 L HN 0.432 nan 8.230 nan 0.000 0.425 30 I N 4.832 125.476 120.570 0.122 0.000 2.404 30 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 30 I C 0.011 176.245 176.117 0.196 0.000 0.992 30 I CA -0.619 60.756 61.300 0.125 0.000 1.149 30 I CB 1.484 39.523 38.000 0.065 0.000 1.315 30 I HN 0.643 nan 8.210 nan 0.000 0.446 31 K N 6.618 127.113 120.400 0.157 0.000 2.267 31 K HA 0.328 4.647 4.320 -0.000 0.000 0.282 31 K C -0.356 176.189 176.600 -0.091 0.000 1.078 31 K CA -0.635 55.636 56.287 -0.026 0.000 0.903 31 K CB 0.614 33.118 32.500 0.007 0.000 1.111 31 K HN 0.370 nan 8.250 nan 0.000 0.475 32 I N 4.595 125.077 120.570 -0.146 0.000 2.668 32 I HA -0.068 4.101 4.170 -0.000 0.000 0.285 32 I C 0.953 177.024 176.117 -0.078 0.000 1.168 32 I CA 0.920 62.173 61.300 -0.079 0.000 1.424 32 I CB 0.665 38.625 38.000 -0.066 0.000 1.377 32 I HN 0.854 nan 8.210 nan 0.000 0.560 33 E N 4.125 124.304 120.200 -0.033 0.000 2.511 33 E HA 0.406 4.756 4.350 -0.000 0.000 0.209 33 E C -0.054 176.541 176.600 -0.009 0.000 0.986 33 E CA -0.039 56.346 56.400 -0.024 0.000 0.974 33 E CB 0.986 30.681 29.700 -0.009 0.000 1.030 33 E HN 0.731 nan 8.360 nan 0.000 0.490 34 A N 0.879 123.699 122.820 0.001 0.000 2.565 34 A HA 0.684 5.004 4.320 -0.000 0.000 0.298 34 A C -1.616 175.984 177.584 0.028 0.000 1.062 34 A CA -0.340 51.706 52.037 0.014 0.000 0.723 34 A CB 1.488 20.498 19.000 0.016 0.000 1.282 34 A HN 0.034 nan 8.150 nan 0.000 0.400 35 A N 1.599 124.451 122.820 0.053 0.000 2.522 35 A HA 0.727 5.047 4.320 -0.000 0.000 0.285 35 A C 0.360 178.018 177.584 0.123 0.000 1.198 35 A CA 0.168 52.263 52.037 0.097 0.000 0.742 35 A CB 0.479 19.605 19.000 0.210 0.000 1.176 35 A HN 2.179 nan 8.150 nan 0.000 0.444 36 G N 0.546 109.384 108.800 0.064 0.000 2.491 36 G HA2 0.472 4.431 3.960 -0.000 0.000 0.242 36 G HA3 0.472 4.431 3.960 -0.000 0.000 0.242 36 G C -0.298 174.659 174.900 0.094 0.000 1.266 36 G CA -0.152 44.983 45.100 0.059 0.000 0.844 36 G HN 0.862 nan 8.290 nan 0.000 0.571 37 V N 1.488 121.459 119.914 0.095 0.000 2.350 37 V HA 0.299 4.419 4.120 -0.000 0.000 0.276 37 V C 0.293 176.437 176.094 0.083 0.000 1.028 37 V CA -0.907 61.470 62.300 0.128 0.000 0.860 37 V CB 0.875 32.740 31.823 0.071 0.000 0.990 37 V HN 0.878 nan 8.190 nan 0.000 0.453 38 C N 4.154 123.495 119.300 0.069 0.000 2.376 38 C HA 0.446 4.906 4.460 -0.000 0.000 0.335 38 C C 1.869 176.987 174.990 0.213 0.000 1.229 38 C CA -0.329 58.782 59.018 0.155 0.000 1.867 38 C CB 0.558 28.428 27.740 0.218 0.000 2.319 38 C HN 1.078 nan 8.230 nan 0.000 0.515 39 H N 1.843 121.001 119.070 0.147 0.000 2.489 39 H HA -0.081 4.475 4.556 -0.000 0.000 0.295 39 H C 2.014 177.350 175.328 0.013 0.000 1.082 39 H CA 2.166 58.257 56.048 0.072 0.000 1.295 39 H CB 0.538 30.394 29.762 0.157 0.000 1.380 39 H HN 0.749 nan 8.280 nan 0.000 0.548 40 S N -0.104 115.834 115.700 0.397 0.000 2.419 40 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 40 S C 1.381 176.193 174.600 0.353 0.000 1.019 40 S CA 1.290 59.799 58.200 0.514 0.000 0.982 40 S CB -0.098 63.433 63.200 0.551 0.000 0.789 40 S HN 0.568 nan 8.310 nan 0.000 0.490 41 D N 0.765 121.324 120.400 0.266 0.000 2.312 41 D HA -0.006 4.634 4.640 -0.000 0.000 0.211 41 D C 1.839 178.143 176.300 0.006 0.000 0.964 41 D CA 0.429 54.537 54.000 0.180 0.000 0.877 41 D CB -0.115 40.812 40.800 0.213 0.000 0.924 41 D HN 0.242 nan 8.370 nan 0.000 0.515 42 V N 1.329 121.146 119.914 -0.162 0.000 2.307 42 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 42 V C 2.212 178.174 176.094 -0.220 0.000 1.045 42 V CA 1.393 63.510 62.300 -0.305 0.000 1.024 42 V CB -0.460 30.970 31.823 -0.656 0.000 0.651 42 V HN 0.276 nan 8.190 nan 0.000 0.449 43 H N -1.030 117.998 119.070 -0.070 0.000 2.357 43 H HA -0.040 4.516 4.556 -0.000 0.000 0.301 43 H C 2.370 177.445 175.328 -0.420 0.000 1.082 43 H CA 1.388 57.263 56.048 -0.288 0.000 1.342 43 H CB -0.350 29.129 29.762 -0.473 0.000 1.389 43 H HN 0.281 nan 8.280 nan 0.000 0.511 44 M N 0.365 119.867 119.600 -0.163 0.000 2.086 44 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 44 M C 2.447 178.718 176.300 -0.048 0.000 1.067 44 M CA 1.161 56.411 55.300 -0.084 0.000 1.116 44 M CB -0.816 31.846 32.600 0.104 0.000 1.348 44 M HN 0.177 nan 8.290 nan 0.000 0.407 45 R N 0.349 120.831 120.500 -0.029 0.000 2.083 45 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 45 R C 2.100 178.373 176.300 -0.045 0.000 1.137 45 R CA 1.621 57.706 56.100 -0.025 0.000 0.951 45 R CB -0.096 30.184 30.300 -0.034 0.000 0.851 45 R HN 0.508 nan 8.270 nan 0.000 0.434 46 Q N -1.129 118.631 119.800 -0.067 0.000 2.364 46 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 46 Q C 0.869 176.831 176.000 -0.062 0.000 0.970 46 Q CA 0.838 56.605 55.803 -0.060 0.000 0.888 46 Q CB 0.326 29.032 28.738 -0.054 0.000 0.951 46 Q HN 0.678 nan 8.270 nan 0.000 0.469 47 G N 1.669 110.417 108.800 -0.087 0.000 2.149 47 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.235 47 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.235 47 G C -0.114 174.727 174.900 -0.098 0.000 1.018 47 G CA 0.407 45.464 45.100 -0.072 0.000 0.728 47 G HN 0.305 nan 8.290 nan 0.000 0.508 48 R N -1.416 118.963 120.500 -0.202 0.000 2.644 48 R HA 0.536 4.876 4.340 -0.000 0.000 0.257 48 R C -1.890 174.216 176.300 -0.323 0.000 1.082 48 R CA -0.956 55.044 56.100 -0.166 0.000 0.927 48 R CB 0.564 30.831 30.300 -0.055 0.000 1.258 48 R HN 0.145 nan 8.270 nan 0.000 0.459 49 F N 3.534 123.493 119.950 0.014 0.000 2.359 49 F HA 0.440 4.967 4.527 -0.000 0.000 0.369 49 F C 1.128 176.898 175.800 -0.051 0.000 1.084 49 F CA 0.753 58.712 58.000 -0.068 0.000 1.096 49 F CB 1.584 40.569 39.000 -0.026 0.000 1.335 49 F HN 0.988 nan 8.300 nan 0.000 0.457 50 G N 3.229 112.068 108.800 0.065 0.000 2.565 50 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.295 50 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.295 50 G C 0.927 175.862 174.900 0.059 0.000 1.165 50 G CA 0.724 45.863 45.100 0.066 0.000 0.977 50 G HN 0.594 nan 8.290 nan 0.000 0.546 51 N N 0.635 119.371 118.700 0.061 0.000 2.336 51 N HA 0.262 5.002 4.740 -0.000 0.000 0.189 51 N C 0.478 176.022 175.510 0.057 0.000 1.113 51 N CA 0.230 53.309 53.050 0.048 0.000 0.858 51 N CB -0.155 38.354 38.487 0.037 0.000 0.970 51 N HN 0.506 nan 8.380 nan 0.000 0.471 52 L N 1.634 122.911 121.223 0.089 0.000 2.264 52 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 52 L C 0.128 177.069 176.870 0.118 0.000 1.039 52 L CA -0.678 54.227 54.840 0.108 0.000 0.829 52 L CB 1.115 43.259 42.059 0.141 0.000 1.211 52 L HN -0.067 nan 8.230 nan 0.000 0.427 53 R N 3.041 123.586 120.500 0.075 0.000 2.401 53 R HA 0.122 4.462 4.340 -0.000 0.000 0.299 53 R C 1.571 177.923 176.300 0.087 0.000 1.064 53 R CA -0.170 55.965 56.100 0.058 0.000 1.000 53 R CB 0.924 31.245 30.300 0.035 0.000 0.973 53 R HN 0.722 nan 8.270 nan 0.000 0.438 54 I N 0.464 121.089 120.570 0.093 0.000 2.286 54 I HA -0.229 3.940 4.170 -0.000 0.000 0.248 54 I C 1.217 177.386 176.117 0.088 0.000 1.115 54 I CA 1.327 62.709 61.300 0.137 0.000 1.392 54 I CB -0.205 37.877 38.000 0.137 0.000 1.065 54 I HN 0.278 nan 8.210 nan 0.000 0.418 55 V N 1.371 121.318 119.914 0.055 0.000 2.283 55 V HA -0.117 4.002 4.120 -0.000 0.000 0.239 55 V C 2.577 178.688 176.094 0.028 0.000 1.035 55 V CA 1.831 64.153 62.300 0.037 0.000 1.018 55 V CB -0.752 31.086 31.823 0.025 0.000 0.658 55 V HN 0.286 nan 8.190 nan 0.000 0.459 56 E N 0.594 120.809 120.200 0.026 0.000 2.110 56 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 56 E C 1.816 178.429 176.600 0.021 0.000 0.988 56 E CA 1.609 58.021 56.400 0.020 0.000 0.804 56 E CB -0.208 29.503 29.700 0.018 0.000 0.745 56 E HN 0.617 nan 8.360 nan 0.000 0.458 57 D N -1.024 119.395 120.400 0.032 0.000 2.394 57 D HA 0.096 4.736 4.640 -0.000 0.000 0.226 57 D C 1.728 178.043 176.300 0.026 0.000 0.990 57 D CA 0.317 54.334 54.000 0.029 0.000 0.902 57 D CB 0.249 41.073 40.800 0.040 0.000 1.038 57 D HN 0.152 nan 8.370 nan 0.000 0.499 58 L N -0.004 121.246 121.223 0.045 0.000 2.529 58 L HA 0.230 4.570 4.340 -0.000 0.000 0.223 58 L C 1.370 178.242 176.870 0.002 0.000 1.113 58 L CA 0.528 55.386 54.840 0.030 0.000 0.861 58 L CB 0.067 42.178 42.059 0.088 0.000 1.012 58 L HN 0.105 nan 8.230 nan 0.000 0.461 59 G N 0.540 109.348 108.800 0.012 0.000 2.136 59 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 59 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 59 G C 0.241 175.146 174.900 0.009 0.000 0.989 59 G CA 0.025 45.125 45.100 0.000 0.000 0.682 59 G HN 0.095 nan 8.290 nan 0.000 0.522 60 V N 1.488 121.422 119.914 0.034 0.000 2.655 60 V HA 0.326 4.446 4.120 -0.000 0.000 0.300 60 V C 0.522 176.631 176.094 0.025 0.000 1.044 60 V CA 0.115 62.442 62.300 0.046 0.000 1.095 60 V CB 1.353 33.228 31.823 0.086 0.000 0.952 60 V HN 0.243 nan 8.190 nan 0.000 0.485 61 K N 6.164 126.569 120.400 0.008 0.000 2.339 61 K HA 0.516 4.836 4.320 -0.000 0.000 0.264 61 K C -0.717 175.880 176.600 -0.005 0.000 0.986 61 K CA -0.371 55.912 56.287 -0.007 0.000 0.866 61 K CB 1.755 34.236 32.500 -0.032 0.000 1.103 61 K HN 0.487 nan 8.250 nan 0.000 0.441 62 L N 4.298 125.523 121.223 0.003 0.000 2.399 62 L HA 0.385 4.725 4.340 -0.000 0.000 0.266 62 L C -1.296 175.572 176.870 -0.003 0.000 1.114 62 L CA -1.759 53.085 54.840 0.007 0.000 0.804 62 L CB 0.140 42.206 42.059 0.013 0.000 1.146 62 L HN 0.400 nan 8.230 nan 0.000 0.451 63 P HA 0.369 nan 4.420 nan 0.000 0.279 63 P C -1.262 176.044 177.300 0.010 0.000 1.252 63 P CA -0.366 62.740 63.100 0.010 0.000 0.811 63 P CB 2.491 34.197 31.700 0.011 0.000 1.035 64 V N 0.248 120.179 119.914 0.029 0.000 2.891 64 V HA 0.278 4.398 4.120 -0.000 0.000 0.304 64 V C -0.677 175.451 176.094 0.057 0.000 1.171 64 V CA -0.409 61.913 62.300 0.036 0.000 0.943 64 V CB 2.328 34.179 31.823 0.046 0.000 1.037 64 V HN 0.688 nan 8.190 nan 0.000 0.427 65 T N 7.760 122.347 114.554 0.055 0.000 2.779 65 T HA 0.446 4.796 4.350 -0.000 0.000 0.296 65 T C 0.266 174.989 174.700 0.039 0.000 0.938 65 T CA 0.066 62.208 62.100 0.070 0.000 1.119 65 T CB 0.222 69.130 68.868 0.066 0.000 0.891 65 T HN 0.510 nan 8.240 nan 0.000 0.526 66 L N 1.891 123.142 121.223 0.045 0.000 2.482 66 L HA 0.631 4.971 4.340 -0.000 0.000 0.242 66 L C 1.091 177.569 176.870 -0.653 0.000 1.210 66 L CA -0.537 54.231 54.840 -0.119 0.000 0.819 66 L CB 0.159 42.239 42.059 0.035 0.000 1.203 66 L HN 0.915 nan 8.230 nan 0.000 0.495 67 G N 0.393 108.659 108.800 -0.889 0.000 3.017 67 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.680 67 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.680 67 G C -0.222 174.413 174.900 -0.442 0.000 1.179 67 G CA -0.260 44.169 45.100 -1.118 0.000 1.142 67 G HN 0.945 nan 8.290 nan 0.000 0.489 68 H N 0.089 119.000 119.070 -0.264 0.000 2.592 68 H HA 0.321 4.877 4.556 -0.000 0.000 0.279 68 H C -0.113 175.110 175.328 -0.175 0.000 1.089 68 H CA 0.110 56.006 56.048 -0.254 0.000 1.150 68 H CB 0.974 30.614 29.762 -0.202 0.000 1.575 68 H HN 0.546 nan 8.280 nan 0.000 0.547 69 E N 2.245 122.318 120.200 -0.213 0.000 2.183 69 E HA 0.407 4.757 4.350 -0.000 0.000 0.250 69 E C -0.545 176.017 176.600 -0.063 0.000 0.901 69 E CA -0.390 55.964 56.400 -0.076 0.000 0.741 69 E CB 1.807 31.477 29.700 -0.050 0.000 1.182 69 E HN 0.353 nan 8.360 nan 0.000 0.425 70 I N 1.338 121.876 120.570 -0.053 0.000 2.474 70 I HA 0.748 4.917 4.170 -0.000 0.000 0.294 70 I C -0.261 175.865 176.117 0.014 0.000 1.005 70 I CA -0.993 60.286 61.300 -0.036 0.000 1.113 70 I CB 1.919 39.871 38.000 -0.081 0.000 1.289 70 I HN 0.363 nan 8.210 nan 0.000 0.436 71 A N 3.891 126.724 122.820 0.021 0.000 2.566 71 A HA 0.963 5.283 4.320 -0.000 0.000 0.297 71 A C -0.512 177.090 177.584 0.029 0.000 1.059 71 A CA -0.172 51.891 52.037 0.042 0.000 0.691 71 A CB 1.855 20.884 19.000 0.047 0.000 1.282 71 A HN 1.042 nan 8.150 nan 0.000 0.401 72 G N 0.498 109.322 108.800 0.039 0.000 2.427 72 G HA2 0.562 4.521 3.960 -0.000 0.000 0.306 72 G HA3 0.562 4.521 3.960 -0.000 0.000 0.306 72 G C -1.590 173.336 174.900 0.044 0.000 1.280 72 G CA -0.862 44.255 45.100 0.028 0.000 0.837 72 G HN 0.731 nan 8.290 nan 0.000 0.482 73 R N -0.433 120.093 120.500 0.042 0.000 2.589 73 R HA 0.534 4.874 4.340 -0.000 0.000 0.293 73 R C -0.079 176.263 176.300 0.070 0.000 0.963 73 R CA -0.799 55.335 56.100 0.056 0.000 0.905 73 R CB 2.043 32.373 30.300 0.050 0.000 1.144 73 R HN 0.419 nan 8.270 nan 0.000 0.459 74 I N 2.551 123.163 120.570 0.070 0.000 2.598 74 I HA -0.106 4.064 4.170 -0.000 0.000 0.284 74 I C 1.315 177.478 176.117 0.077 0.000 1.140 74 I CA 0.562 61.903 61.300 0.068 0.000 1.420 74 I CB 0.779 38.817 38.000 0.064 0.000 1.387 74 I HN 0.725 nan 8.210 nan 0.000 0.553 75 E N 5.219 125.473 120.200 0.089 0.000 2.206 75 E HA 0.116 4.465 4.350 -0.000 0.000 0.195 75 E C 0.098 176.722 176.600 0.041 0.000 0.935 75 E CA 0.712 57.167 56.400 0.091 0.000 0.875 75 E CB 0.549 30.341 29.700 0.153 0.000 0.841 75 E HN 0.636 nan 8.360 nan 0.000 0.477 76 E N -0.382 119.834 120.200 0.026 0.000 2.375 76 E HA 0.400 4.750 4.350 -0.000 0.000 0.280 76 E C -1.536 175.067 176.600 0.005 0.000 0.972 76 E CA -0.735 55.668 56.400 0.004 0.000 0.782 76 E CB 1.958 31.646 29.700 -0.020 0.000 1.229 76 E HN 0.016 nan 8.360 nan 0.000 0.439 77 V N 0.120 120.033 119.914 -0.001 0.000 2.960 77 V HA 0.917 5.037 4.120 -0.000 0.000 0.315 77 V C 0.405 176.492 176.094 -0.012 0.000 1.087 77 V CA -0.197 62.099 62.300 -0.006 0.000 0.982 77 V CB 1.431 33.246 31.823 -0.013 0.000 1.039 77 V HN 0.687 nan 8.190 nan 0.000 0.437 78 G N 0.650 109.443 108.800 -0.011 0.000 2.616 78 G HA2 0.290 4.249 3.960 -0.000 0.000 0.268 78 G HA3 0.290 4.249 3.960 -0.000 0.000 0.268 78 G C 0.230 175.119 174.900 -0.018 0.000 1.213 78 G CA 0.010 45.105 45.100 -0.009 0.000 0.926 78 G HN 0.833 nan 8.290 nan 0.000 0.523 79 D N -0.246 120.147 120.400 -0.011 0.000 2.218 79 D HA -0.089 4.550 4.640 -0.000 0.000 0.204 79 D C 1.893 178.181 176.300 -0.019 0.000 0.976 79 D CA 1.126 55.117 54.000 -0.014 0.000 0.853 79 D CB 0.273 41.070 40.800 -0.005 0.000 0.939 79 D HN 0.650 nan 8.370 nan 0.000 0.481 80 E N 0.196 120.391 120.200 -0.008 0.000 2.489 80 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 80 E C 0.144 176.716 176.600 -0.046 0.000 1.057 80 E CA -0.191 56.213 56.400 0.005 0.000 0.866 80 E CB 0.878 30.608 29.700 0.050 0.000 0.916 80 E HN -0.018 nan 8.360 nan 0.000 0.500 81 V N 1.887 121.721 119.914 -0.133 0.000 2.572 81 V HA 0.079 4.199 4.120 -0.000 0.000 0.291 81 V C 0.064 175.904 176.094 -0.424 0.000 1.039 81 V CA -0.076 61.980 62.300 -0.407 0.000 1.055 81 V CB 1.222 32.909 31.823 -0.227 0.000 0.969 81 V HN -0.055 nan 8.190 nan 0.000 0.482 82 V N 4.643 124.125 119.914 -0.720 0.000 2.789 82 V HA 0.825 4.945 4.120 -0.000 0.000 0.311 82 V C 0.685 176.576 176.094 -0.338 0.000 1.073 82 V CA 0.478 62.555 62.300 -0.371 0.000 0.921 82 V CB 1.570 33.265 31.823 -0.214 0.000 1.009 82 V HN 1.303 nan 8.190 nan 0.000 0.426 83 G N 4.044 112.692 108.800 -0.254 0.000 2.148 83 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 83 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 83 G C -0.549 173.972 174.900 -0.632 0.000 0.981 83 G CA 0.834 45.708 45.100 -0.378 0.000 0.670 83 G HN 1.125 nan 8.290 nan 0.000 0.528 84 Y N 0.065 120.284 120.300 -0.135 0.000 2.470 84 Y HA 0.640 5.189 4.550 -0.000 0.000 0.341 84 Y C 0.252 176.109 175.900 -0.072 0.000 1.021 84 Y CA -0.615 57.435 58.100 -0.082 0.000 1.025 84 Y CB 2.361 40.780 38.460 -0.068 0.000 1.266 84 Y HN 0.185 nan 8.280 nan 0.000 0.448 85 S N 1.892 117.656 115.700 0.107 0.000 2.566 85 S HA 0.493 4.962 4.470 -0.000 0.000 0.298 85 S C -0.969 173.670 174.600 0.065 0.000 1.083 85 S CA -1.376 56.855 58.200 0.052 0.000 0.978 85 S CB 1.549 64.758 63.200 0.014 0.000 1.073 85 S HN 0.431 nan 8.310 nan 0.000 0.491 86 K N 0.799 121.224 120.400 0.043 0.000 2.485 86 K HA 0.326 4.646 4.320 -0.000 0.000 0.277 86 K C 1.240 177.867 176.600 0.046 0.000 0.990 86 K CA 1.019 57.332 56.287 0.044 0.000 0.994 86 K CB -0.006 32.512 32.500 0.030 0.000 0.906 86 K HN 1.001 nan 8.250 nan 0.000 0.488 87 G N 2.070 110.902 108.800 0.053 0.000 2.234 87 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.235 87 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.235 87 G C -0.305 174.628 174.900 0.056 0.000 0.997 87 G CA -0.171 44.958 45.100 0.048 0.000 0.623 87 G HN 0.661 nan 8.290 nan 0.000 0.514 88 D N 0.682 121.126 120.400 0.073 0.000 2.458 88 D HA 0.360 5.000 4.640 -0.000 0.000 0.243 88 D C 0.460 176.814 176.300 0.090 0.000 1.146 88 D CA -0.050 54.005 54.000 0.091 0.000 0.877 88 D CB 1.421 42.309 40.800 0.147 0.000 1.176 88 D HN 0.263 nan 8.370 nan 0.000 0.461 89 L N 4.314 125.586 121.223 0.083 0.000 2.281 89 L HA 0.290 4.630 4.340 -0.000 0.000 0.285 89 L C -0.448 176.487 176.870 0.109 0.000 1.074 89 L CA -0.269 54.619 54.840 0.080 0.000 0.817 89 L CB 0.811 42.909 42.059 0.065 0.000 1.168 89 L HN 0.210 nan 8.230 nan 0.000 0.434 90 V N 2.481 122.461 119.914 0.110 0.000 3.078 90 V HA 1.015 5.135 4.120 -0.000 0.000 0.311 90 V C -0.327 175.856 176.094 0.148 0.000 1.138 90 V CA -0.494 61.895 62.300 0.149 0.000 1.007 90 V CB 1.306 33.209 31.823 0.132 0.000 1.045 90 V HN 0.974 nan 8.190 nan 0.000 0.432 91 A N 1.783 124.737 122.820 0.223 0.000 2.306 91 A HA 0.921 5.241 4.320 -0.000 0.000 0.330 91 A C -0.605 177.145 177.584 0.277 0.000 1.146 91 A CA -0.744 51.431 52.037 0.230 0.000 0.827 91 A CB 1.655 20.807 19.000 0.254 0.000 1.178 91 A HN 1.463 nan 8.150 nan 0.000 0.490 92 V N 2.228 122.233 119.914 0.151 0.000 2.540 92 V HA 0.292 4.412 4.120 -0.000 0.000 0.302 92 V C -0.305 175.627 176.094 -0.271 0.000 1.035 92 V CA -0.907 61.385 62.300 -0.014 0.000 0.873 92 V CB 1.762 33.543 31.823 -0.071 0.000 0.992 92 V HN 0.909 nan 8.190 nan 0.000 0.428 93 N N 7.229 125.539 118.700 -0.649 0.000 2.415 93 N HA 0.291 5.031 4.740 -0.000 0.000 0.246 93 N C -1.379 173.686 175.510 -0.741 0.000 1.078 93 N CA -2.086 50.364 53.050 -1.001 0.000 0.942 93 N CB 1.616 39.271 38.487 -1.387 0.000 1.140 93 N HN 0.333 nan 8.380 nan 0.000 0.501 94 P HA 0.022 nan 4.420 nan 0.000 0.236 94 P C -0.395 176.296 177.300 -1.015 0.000 1.177 94 P CA 0.417 62.915 63.100 -1.003 0.000 0.773 94 P CB -0.090 30.932 31.700 -1.129 0.000 0.878 95 W N 2.343 123.406 121.300 -0.395 0.000 1.664 95 W HA 0.306 4.966 4.660 -0.000 0.000 0.428 95 W C -0.002 176.387 176.519 -0.217 0.000 0.726 95 W CA -0.849 56.272 57.345 -0.373 0.000 1.774 95 W CB -0.294 28.916 29.460 -0.416 0.000 1.801 95 W HN -0.048 nan 8.180 nan 0.000 0.243 96 E N 0.996 121.099 120.200 -0.162 0.000 2.231 96 E HA 0.609 4.959 4.350 -0.000 0.000 0.277 96 E C 0.592 177.183 176.600 -0.016 0.000 0.999 96 E CA -0.653 55.521 56.400 -0.376 0.000 0.827 96 E CB 1.677 30.817 29.700 -0.934 0.000 1.101 96 E HN 0.367 nan 8.360 nan 0.000 0.393 97 G N 0.888 109.739 108.800 0.084 0.000 2.644 97 G HA2 0.255 4.215 3.960 -0.000 0.000 0.307 97 G HA3 0.255 4.215 3.960 -0.000 0.000 0.307 97 G C 0.138 175.085 174.900 0.079 0.000 1.250 97 G CA -0.603 44.555 45.100 0.098 0.000 0.996 97 G HN 0.576 nan 8.290 nan 0.000 0.489 98 E N -1.633 118.600 120.200 0.055 0.000 2.400 98 E HA 0.304 4.654 4.350 -0.000 0.000 0.195 98 E C 1.577 178.202 176.600 0.043 0.000 1.012 98 E CA 0.901 57.328 56.400 0.046 0.000 0.875 98 E CB 0.302 30.022 29.700 0.034 0.000 0.859 98 E HN 1.355 nan 8.360 nan 0.000 0.498 99 G N 0.748 109.575 108.800 0.045 0.000 2.308 99 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.221 99 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.221 99 G C 1.275 176.185 174.900 0.017 0.000 1.032 99 G CA 0.307 45.421 45.100 0.023 0.000 0.623 99 G HN 0.387 nan 8.290 nan 0.000 0.506 100 N N 0.411 119.127 118.700 0.026 0.000 2.395 100 N HA 0.102 4.842 4.740 -0.000 0.000 0.175 100 N C 1.760 177.290 175.510 0.034 0.000 1.029 100 N CA 1.308 54.373 53.050 0.025 0.000 0.897 100 N CB -0.205 38.298 38.487 0.027 0.000 0.991 100 N HN 1.093 nan 8.380 nan 0.000 0.441 101 C N -0.516 118.816 119.300 0.054 0.000 2.705 101 C HA 0.149 4.609 4.460 -0.000 0.000 0.365 101 C C 1.963 176.993 174.990 0.067 0.000 1.353 101 C CA -0.985 58.084 59.018 0.085 0.000 2.339 101 C CB -0.613 27.205 27.740 0.130 0.000 2.576 101 C HN 0.560 nan 8.230 nan 0.000 0.716 102 Y N 1.263 121.516 120.300 -0.078 0.000 2.081 102 Y HA -0.191 4.359 4.550 -0.000 0.000 0.280 102 Y C 2.182 177.920 175.900 -0.270 0.000 1.163 102 Y CA 2.503 60.469 58.100 -0.223 0.000 1.135 102 Y CB -0.854 37.370 38.460 -0.394 0.000 0.970 102 Y HN 0.782 nan 8.280 nan 0.000 0.498 103 Y N -1.156 119.145 120.300 0.001 0.000 2.274 103 Y HA -0.254 4.296 4.550 -0.000 0.000 0.290 103 Y C 2.835 178.670 175.900 -0.108 0.000 1.145 103 Y CA 1.429 59.469 58.100 -0.099 0.000 1.203 103 Y CB -1.083 37.386 38.460 0.015 0.000 0.984 103 Y HN 0.243 nan 8.280 nan 0.000 0.533 104 C N -0.488 118.846 119.300 0.056 0.000 2.457 104 C HA -0.098 4.362 4.460 -0.000 0.000 0.278 104 C C 2.644 177.612 174.990 -0.037 0.000 1.309 104 C CA 0.534 59.575 59.018 0.039 0.000 1.735 104 C CB -0.868 26.904 27.740 0.054 0.000 1.992 104 C HN 0.486 nan 8.230 nan 0.000 0.493 105 R N 1.366 121.803 120.500 -0.106 0.000 2.120 105 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 105 R C 1.735 177.933 176.300 -0.170 0.000 1.123 105 R CA 1.416 57.439 56.100 -0.129 0.000 0.975 105 R CB -0.389 29.827 30.300 -0.139 0.000 0.866 105 R HN 0.703 nan 8.270 nan 0.000 0.446 106 I N -3.211 117.195 120.570 -0.273 0.000 3.812 106 I HA 0.348 4.518 4.170 -0.000 0.000 0.320 106 I C 0.700 176.762 176.117 -0.092 0.000 1.276 106 I CA 0.453 61.613 61.300 -0.233 0.000 1.164 106 I CB 0.405 38.161 38.000 -0.406 0.000 1.009 106 I HN 0.174 nan 8.210 nan 0.000 0.431 107 G N 1.775 110.552 108.800 -0.038 0.000 2.143 107 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.249 107 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.249 107 G C 0.051 175.019 174.900 0.113 0.000 0.981 107 G CA 0.050 45.172 45.100 0.037 0.000 0.665 107 G HN 0.504 nan 8.290 nan 0.000 0.528 108 E N 0.173 120.447 120.200 0.123 0.000 2.947 108 E HA 0.215 4.565 4.350 -0.000 0.000 0.229 108 E C 1.242 177.954 176.600 0.186 0.000 1.158 108 E CA 0.026 56.554 56.400 0.213 0.000 1.441 108 E CB 0.492 30.302 29.700 0.182 0.000 1.414 108 E HN 0.762 nan 8.360 nan 0.000 0.432 109 E N 1.226 121.578 120.200 0.254 0.000 2.147 109 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 109 E C 1.653 178.420 176.600 0.278 0.000 1.005 109 E CA 1.572 58.118 56.400 0.242 0.000 0.810 109 E CB 0.031 29.885 29.700 0.256 0.000 0.736 109 E HN 0.448 nan 8.360 nan 0.000 0.460 110 H N -0.115 119.070 119.070 0.192 0.000 2.521 110 H HA -0.077 4.479 4.556 -0.000 0.000 0.286 110 H C 1.490 177.007 175.328 0.314 0.000 1.034 110 H CA 0.824 57.027 56.048 0.258 0.000 1.278 110 H CB -0.391 29.398 29.762 0.045 0.000 1.386 110 H HN 0.294 nan 8.280 nan 0.000 0.567 111 L N 1.165 122.195 121.223 -0.323 0.000 2.728 111 L HA 0.147 4.487 4.340 -0.000 0.000 0.235 111 L C 0.756 177.513 176.870 -0.188 0.000 1.197 111 L CA -0.609 54.022 54.840 -0.348 0.000 0.992 111 L CB 0.039 41.703 42.059 -0.660 0.000 1.263 111 L HN 0.176 nan 8.230 nan 0.000 0.484 112 C N 0.726 120.037 119.300 0.017 0.000 2.641 112 C HA -0.099 4.361 4.460 -0.000 0.000 0.412 112 C C 1.902 176.886 174.990 -0.009 0.000 1.312 112 C CA -0.025 59.034 59.018 0.067 0.000 1.838 112 C CB 0.305 28.088 27.740 0.072 0.000 2.682 112 C HN 0.498 nan 8.230 nan 0.000 0.627 113 D N 1.340 121.776 120.400 0.061 0.000 2.317 113 D HA 0.024 4.664 4.640 -0.000 0.000 0.211 113 D C 0.651 176.930 176.300 -0.034 0.000 0.966 113 D CA 1.053 55.066 54.000 0.022 0.000 0.876 113 D CB 0.134 40.985 40.800 0.086 0.000 0.927 113 D HN 0.597 nan 8.370 nan 0.000 0.519 114 S N 1.565 117.243 115.700 -0.036 0.000 2.235 114 S HA 0.209 4.679 4.470 -0.000 0.000 0.152 114 S C -2.518 172.026 174.600 -0.093 0.000 1.649 114 S CA -0.983 57.186 58.200 -0.052 0.000 1.277 114 S CB 1.959 65.155 63.200 -0.006 0.000 1.299 114 S HN 0.082 nan 8.310 nan 0.000 0.388 115 P HA 0.179 nan 4.420 nan 0.000 0.269 115 P C -0.738 176.381 177.300 -0.302 0.000 1.209 115 P CA -0.266 62.650 63.100 -0.307 0.000 0.776 115 P CB 0.680 31.912 31.700 -0.780 0.000 0.876 116 R N 2.499 122.850 120.500 -0.249 0.000 2.477 116 R HA 0.202 4.542 4.340 -0.000 0.000 0.285 116 R C -0.893 175.319 176.300 -0.147 0.000 1.415 116 R CA -0.407 55.376 56.100 -0.527 0.000 1.446 116 R CB 0.440 30.322 30.300 -0.696 0.000 1.110 116 R HN 0.513 nan 8.270 nan 0.000 0.590 117 W N 4.264 125.447 121.300 -0.195 0.000 2.357 117 W HA 0.262 4.922 4.660 -0.000 0.000 0.317 117 W C 0.223 176.650 176.519 -0.153 0.000 1.101 117 W CA -1.184 56.090 57.345 -0.118 0.000 1.380 117 W CB 0.113 29.665 29.460 0.154 0.000 1.266 117 W HN 0.268 nan 8.180 nan 0.000 0.419 118 L N 3.845 124.991 121.223 -0.127 0.000 2.513 118 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 118 L C 1.418 178.238 176.870 -0.084 0.000 1.187 118 L CA 0.889 55.669 54.840 -0.099 0.000 0.895 118 L CB -0.220 41.712 42.059 -0.211 0.000 1.147 118 L HN 0.843 nan 8.230 nan 0.000 0.483 119 G N 2.753 111.572 108.800 0.031 0.000 2.194 119 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.236 119 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.236 119 G C 0.593 175.596 174.900 0.171 0.000 0.987 119 G CA 0.116 45.246 45.100 0.051 0.000 0.635 119 G HN 0.490 nan 8.290 nan 0.000 0.520 120 I N 0.770 121.481 120.570 0.235 0.000 3.534 120 I HA 0.169 4.339 4.170 -0.000 0.000 0.251 120 I C 1.868 178.138 176.117 0.255 0.000 1.136 120 I CA 1.576 63.060 61.300 0.307 0.000 1.475 120 I CB -0.884 37.413 38.000 0.495 0.000 1.526 120 I HN 0.348 nan 8.210 nan 0.000 0.454 121 N N -0.643 118.230 118.700 0.288 0.000 2.184 121 N HA -0.009 4.731 4.740 -0.000 0.000 0.206 121 N C -0.392 175.297 175.510 0.297 0.000 1.151 121 N CA 0.095 53.286 53.050 0.235 0.000 0.878 121 N CB 0.566 39.166 38.487 0.187 0.000 1.014 121 N HN 0.173 nan 8.380 nan 0.000 0.512 122 Y N 0.893 121.223 120.300 0.050 0.000 2.536 122 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 122 Y C -0.364 175.544 175.900 0.014 0.000 1.000 122 Y CA -1.264 56.849 58.100 0.021 0.000 1.051 122 Y CB 1.210 39.673 38.460 0.006 0.000 1.259 122 Y HN -0.148 nan 8.280 nan 0.000 0.468 123 D N 1.213 121.686 120.400 0.122 0.000 2.533 123 D HA 0.190 4.830 4.640 -0.000 0.000 0.236 123 D C 0.451 176.785 176.300 0.056 0.000 1.137 123 D CA 0.742 54.785 54.000 0.072 0.000 0.867 123 D CB 1.044 41.876 40.800 0.053 0.000 1.170 123 D HN 0.788 nan 8.370 nan 0.000 0.474 124 G N 0.289 109.094 108.800 0.008 0.000 2.782 124 G HA2 0.451 4.410 3.960 -0.000 0.000 0.201 124 G HA3 0.451 4.410 3.960 -0.000 0.000 0.201 124 G C 0.661 175.524 174.900 -0.063 0.000 1.374 124 G CA 0.099 45.163 45.100 -0.061 0.000 1.039 124 G HN 0.436 nan 8.290 nan 0.000 0.576 125 A N -1.539 121.201 122.820 -0.134 0.000 2.169 125 A HA 0.245 4.564 4.320 -0.000 0.000 0.212 125 A C 0.645 178.278 177.584 0.082 0.000 1.153 125 A CA 0.261 52.266 52.037 -0.055 0.000 0.756 125 A CB -0.290 18.665 19.000 -0.075 0.000 0.813 125 A HN 0.406 nan 8.150 nan 0.000 0.471 126 Y N 0.809 121.103 120.300 -0.010 0.000 3.028 126 Y HA 0.525 5.075 4.550 -0.000 0.000 0.381 126 Y C 0.774 176.670 175.900 -0.007 0.000 1.139 126 Y CA -0.504 57.588 58.100 -0.014 0.000 2.013 126 Y CB -1.405 37.051 38.460 -0.006 0.000 2.146 126 Y HN 0.374 nan 8.280 nan 0.000 0.412 127 A N -0.499 122.399 122.820 0.130 0.000 2.599 127 A HA 0.503 4.822 4.320 -0.000 0.000 0.290 127 A C 0.703 178.288 177.584 0.001 0.000 1.101 127 A CA -0.759 51.321 52.037 0.071 0.000 0.674 127 A CB 0.865 19.917 19.000 0.086 0.000 1.277 127 A HN 0.294 nan 8.150 nan 0.000 0.419 128 E N -0.944 119.232 120.200 -0.040 0.000 2.208 128 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 128 E C -0.755 175.550 176.600 -0.491 0.000 0.988 128 E CA 1.331 57.579 56.400 -0.254 0.000 0.828 128 E CB 0.002 29.552 29.700 -0.251 0.000 0.763 128 E HN 0.527 nan 8.360 nan 0.000 0.478 129 Y N -1.350 118.964 120.300 0.024 0.000 2.581 129 Y HA 0.488 5.038 4.550 -0.000 0.000 0.345 129 Y C -0.606 175.304 175.900 0.017 0.000 1.036 129 Y CA -1.080 57.031 58.100 0.019 0.000 1.042 129 Y CB 2.059 40.529 38.460 0.016 0.000 1.289 129 Y HN -0.308 nan 8.280 nan 0.000 0.471 130 V N 3.270 123.295 119.914 0.186 0.000 2.808 130 V HA 0.568 4.688 4.120 -0.000 0.000 0.308 130 V C -1.925 174.220 176.094 0.086 0.000 1.099 130 V CA -0.817 61.544 62.300 0.100 0.000 0.920 130 V CB 1.998 33.845 31.823 0.041 0.000 1.014 130 V HN 0.642 nan 8.190 nan 0.000 0.425 131 L N 7.405 128.669 121.223 0.068 0.000 2.265 131 L HA 0.635 4.975 4.340 -0.000 0.000 0.288 131 L C -0.513 176.381 176.870 0.039 0.000 1.058 131 L CA 0.275 55.148 54.840 0.055 0.000 0.809 131 L CB 1.438 43.531 42.059 0.057 0.000 1.179 131 L HN 0.520 nan 8.230 nan 0.000 0.429 132 V N 8.835 128.767 119.914 0.029 0.000 2.383 132 V HA 0.299 4.418 4.120 -0.000 0.000 0.275 132 V C -1.511 174.613 176.094 0.051 0.000 1.036 132 V CA -1.121 61.189 62.300 0.017 0.000 0.889 132 V CB 1.177 33.010 31.823 0.016 0.000 0.985 132 V HN 0.723 nan 8.190 nan 0.000 0.459 133 P HA -0.147 nan 4.420 nan 0.000 0.216 133 P C 0.329 177.731 177.300 0.169 0.000 1.153 133 P CA 1.582 64.738 63.100 0.093 0.000 0.858 133 P CB 0.142 31.867 31.700 0.042 0.000 0.789 134 H N -2.781 116.373 119.070 0.141 0.000 2.865 134 H HA 0.095 4.651 4.556 -0.000 0.000 0.362 134 H C 0.310 175.627 175.328 -0.018 0.000 1.114 134 H CA -0.751 55.320 56.048 0.039 0.000 1.208 134 H CB 1.025 30.753 29.762 -0.057 0.000 1.727 134 H HN -0.037 nan 8.280 nan 0.000 0.534 135 Y N 3.380 123.664 120.300 -0.026 0.000 2.483 135 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 135 Y C 1.921 177.827 175.900 0.010 0.000 1.143 135 Y CA 1.065 59.106 58.100 -0.098 0.000 1.289 135 Y CB -0.187 38.179 38.460 -0.156 0.000 0.983 135 Y HN 0.407 nan 8.280 nan 0.000 0.556 136 K N -0.526 119.769 120.400 -0.175 0.000 2.442 136 K HA -0.147 4.173 4.320 -0.000 0.000 0.198 136 K C 0.305 176.726 176.600 -0.298 0.000 1.042 136 K CA 1.203 57.314 56.287 -0.292 0.000 0.958 136 K CB -0.631 31.481 32.500 -0.646 0.000 0.766 136 K HN 0.408 nan 8.250 nan 0.000 0.474 137 Y N 1.608 121.891 120.300 -0.028 0.000 2.461 137 Y HA 0.286 4.836 4.550 -0.000 0.000 0.277 137 Y C 0.554 176.425 175.900 -0.049 0.000 1.182 137 Y CA -0.401 57.637 58.100 -0.102 0.000 1.276 137 Y CB 0.071 38.416 38.460 -0.190 0.000 1.087 137 Y HN -0.074 nan 8.280 nan 0.000 0.519 138 L N -0.812 120.491 121.223 0.133 0.000 2.387 138 L HA 0.348 4.688 4.340 -0.000 0.000 0.266 138 L C -1.169 175.949 176.870 0.414 0.000 1.059 138 L CA -1.064 53.868 54.840 0.153 0.000 0.801 138 L CB 1.171 43.094 42.059 -0.227 0.000 1.223 138 L HN -0.033 nan 8.230 nan 0.000 0.456 139 Y N 1.196 121.679 120.300 0.305 0.000 2.298 139 Y HA 0.258 4.808 4.550 -0.000 0.000 0.322 139 Y C -0.703 175.314 175.900 0.195 0.000 1.138 139 Y CA -1.086 57.173 58.100 0.264 0.000 1.127 139 Y CB 1.095 39.652 38.460 0.161 0.000 1.178 139 Y HN 0.410 nan 8.280 nan 0.000 0.428 140 K N 6.192 126.652 120.400 0.101 0.000 2.448 140 K HA 0.325 4.645 4.320 -0.000 0.000 0.278 140 K C -0.868 175.841 176.600 0.182 0.000 1.009 140 K CA -0.026 56.345 56.287 0.140 0.000 0.995 140 K CB 0.719 33.253 32.500 0.056 0.000 0.917 140 K HN 0.569 nan 8.250 nan 0.000 0.481 141 L N 3.425 124.749 121.223 0.168 0.000 2.322 141 L HA 0.384 4.723 4.340 -0.000 0.000 0.279 141 L C 1.189 178.112 176.870 0.088 0.000 1.036 141 L CA -0.493 54.434 54.840 0.144 0.000 0.807 141 L CB 1.390 43.517 42.059 0.114 0.000 1.226 141 L HN 0.681 nan 8.230 nan 0.000 0.433 142 R N 0.689 121.233 120.500 0.074 0.000 2.493 142 R HA 0.156 4.496 4.340 -0.000 0.000 0.177 142 R C 1.905 178.226 176.300 0.035 0.000 0.861 142 R CA -0.262 55.865 56.100 0.045 0.000 1.083 142 R CB 0.213 30.535 30.300 0.036 0.000 1.328 142 R HN 0.499 nan 8.270 nan 0.000 0.615 143 R N 0.929 121.449 120.500 0.034 0.000 2.093 143 R HA 0.131 4.471 4.340 -0.000 0.000 0.224 143 R C 0.142 176.453 176.300 0.018 0.000 1.101 143 R CA 0.717 56.830 56.100 0.021 0.000 0.979 143 R CB 0.133 30.442 30.300 0.015 0.000 0.877 143 R HN 0.002 nan 8.270 nan 0.000 0.441 144 L N 1.541 122.778 121.223 0.024 0.000 2.360 144 L HA 0.274 4.614 4.340 -0.000 0.000 0.271 144 L C 0.334 177.219 176.870 0.026 0.000 1.057 144 L CA -0.839 54.012 54.840 0.018 0.000 0.803 144 L CB 1.744 43.809 42.059 0.010 0.000 1.207 144 L HN 0.158 nan 8.230 nan 0.000 0.445 145 S N 0.730 116.442 115.700 0.020 0.000 2.693 145 S HA 0.467 4.937 4.470 -0.000 0.000 0.276 145 S C 0.976 175.591 174.600 0.025 0.000 1.192 145 S CA -0.163 58.051 58.200 0.022 0.000 0.994 145 S CB 1.676 64.885 63.200 0.015 0.000 1.012 145 S HN 0.696 nan 8.310 nan 0.000 0.550 146 A N 1.016 123.852 122.820 0.026 0.000 1.908 146 A HA -0.033 4.286 4.320 -0.000 0.000 0.218 146 A C 2.134 179.732 177.584 0.023 0.000 1.181 146 A CA 1.868 53.922 52.037 0.028 0.000 0.627 146 A CB -1.465 17.549 19.000 0.023 0.000 0.818 146 A HN 0.827 nan 8.150 nan 0.000 0.445 147 V N 0.170 120.094 119.914 0.016 0.000 2.407 147 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 147 V C 2.322 178.425 176.094 0.015 0.000 1.055 147 V CA 2.329 64.638 62.300 0.014 0.000 1.049 147 V CB -0.833 30.996 31.823 0.009 0.000 0.662 147 V HN 0.677 nan 8.190 nan 0.000 0.455 148 E N 0.061 120.269 120.200 0.013 0.000 2.216 148 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 148 E C 2.191 178.796 176.600 0.007 0.000 0.988 148 E CA 1.008 57.413 56.400 0.009 0.000 0.834 148 E CB -0.180 29.523 29.700 0.005 0.000 0.772 148 E HN 0.609 nan 8.360 nan 0.000 0.479 149 A N 1.387 124.215 122.820 0.013 0.000 1.943 149 A HA 0.214 4.534 4.320 -0.000 0.000 0.213 149 A C 2.370 179.971 177.584 0.028 0.000 1.181 149 A CA 0.873 52.917 52.037 0.012 0.000 0.653 149 A CB -0.350 18.665 19.000 0.024 0.000 0.833 149 A HN 0.235 nan 8.150 nan 0.000 0.451 150 A N 1.024 123.864 122.820 0.034 0.000 1.896 150 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 150 A C 0.119 177.730 177.584 0.045 0.000 1.206 150 A CA 2.326 54.387 52.037 0.039 0.000 0.647 150 A CB -1.918 17.099 19.000 0.029 0.000 0.828 150 A HN 0.440 nan 8.150 nan 0.000 0.455 151 P HA -0.104 nan 4.420 nan 0.000 0.221 151 P C 1.225 178.567 177.300 0.069 0.000 1.145 151 P CA 0.743 63.874 63.100 0.053 0.000 0.795 151 P CB -0.164 31.562 31.700 0.042 0.000 0.775 152 L N -0.945 120.309 121.223 0.052 0.000 2.191 152 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 152 L C 2.284 179.234 176.870 0.134 0.000 1.103 152 L CA 1.983 56.849 54.840 0.042 0.000 0.769 152 L CB -1.615 40.421 42.059 -0.040 0.000 0.908 152 L HN 0.144 nan 8.230 nan 0.000 0.438 153 T N -4.946 109.722 114.554 0.189 0.000 3.113 153 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 153 T C 1.429 176.341 174.700 0.353 0.000 1.143 153 T CA 0.751 63.020 62.100 0.281 0.000 1.090 153 T CB -0.085 68.870 68.868 0.146 0.000 0.922 153 T HN 0.467 nan 8.240 nan 0.000 0.521 154 C N 0.441 119.929 119.300 0.315 0.000 3.024 154 C HA 0.329 4.789 4.460 -0.000 0.000 0.344 154 C C 2.975 178.090 174.990 0.208 0.000 2.031 154 C CA 0.815 60.075 59.018 0.403 0.000 1.998 154 C CB 0.197 28.270 27.740 0.555 0.000 1.929 154 C HN 0.594 nan 8.230 nan 0.000 0.660 155 S N 1.371 117.170 115.700 0.165 0.000 2.383 155 S HA 0.031 4.501 4.470 -0.000 0.000 0.229 155 S C 1.829 176.475 174.600 0.077 0.000 1.030 155 S CA 2.199 60.461 58.200 0.104 0.000 1.002 155 S CB -1.152 62.105 63.200 0.093 0.000 0.829 155 S HN 0.913 nan 8.310 nan 0.000 0.467 156 G N 1.079 109.929 108.800 0.083 0.000 2.434 156 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.214 156 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.214 156 G C 1.515 176.463 174.900 0.079 0.000 1.202 156 G CA 0.737 45.872 45.100 0.058 0.000 0.788 156 G HN 0.505 nan 8.290 nan 0.000 0.539 157 V N 0.897 120.876 119.914 0.108 0.000 2.407 157 V HA -0.141 3.978 4.120 -0.000 0.000 0.248 157 V C 2.980 179.114 176.094 0.068 0.000 1.055 157 V CA 2.933 65.307 62.300 0.122 0.000 1.049 157 V CB -0.685 31.272 31.823 0.222 0.000 0.662 157 V HN 0.413 nan 8.190 nan 0.000 0.455 158 T N 0.238 114.796 114.554 0.007 0.000 2.737 158 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 158 T C 1.862 176.536 174.700 -0.043 0.000 1.038 158 T CA 2.268 64.319 62.100 -0.082 0.000 1.144 158 T CB -0.563 68.242 68.868 -0.106 0.000 0.866 158 T HN 0.818 nan 8.240 nan 0.000 0.434 159 T N -0.420 114.134 114.554 -0.001 0.000 2.995 159 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 159 T C 1.772 176.474 174.700 0.004 0.000 1.091 159 T CA 0.612 62.704 62.100 -0.014 0.000 1.128 159 T CB -0.635 68.230 68.868 -0.004 0.000 0.891 159 T HN 0.426 nan 8.240 nan 0.000 0.492 160 Y N 2.268 122.531 120.300 -0.061 0.000 2.163 160 Y HA 0.047 4.597 4.550 -0.000 0.000 0.288 160 Y C 2.801 178.662 175.900 -0.065 0.000 1.136 160 Y CA 1.384 59.448 58.100 -0.060 0.000 1.147 160 Y CB -0.282 38.145 38.460 -0.056 0.000 0.987 160 Y HN 0.067 nan 8.280 nan 0.000 0.509 161 R N 0.169 120.653 120.500 -0.028 0.000 2.081 161 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 161 R C 2.351 178.558 176.300 -0.155 0.000 1.131 161 R CA 1.303 57.334 56.100 -0.114 0.000 0.960 161 R CB -0.570 29.682 30.300 -0.080 0.000 0.856 161 R HN 0.437 nan 8.270 nan 0.000 0.436 162 A N 0.281 123.024 122.820 -0.128 0.000 1.902 162 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 162 A C 2.251 179.745 177.584 -0.151 0.000 1.181 162 A CA 1.563 53.524 52.037 -0.127 0.000 0.623 162 A CB -0.555 18.376 19.000 -0.116 0.000 0.818 162 A HN 0.238 nan 8.150 nan 0.000 0.443 163 V N -0.009 119.800 119.914 -0.175 0.000 2.407 163 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 163 V C 2.653 178.618 176.094 -0.215 0.000 1.055 163 V CA 2.293 64.482 62.300 -0.186 0.000 1.049 163 V CB -0.777 30.934 31.823 -0.187 0.000 0.662 163 V HN 0.696 nan 8.190 nan 0.000 0.455 164 R N 0.331 120.658 120.500 -0.288 0.000 2.075 164 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 164 R C 2.308 178.516 176.300 -0.154 0.000 1.126 164 R CA 1.532 57.482 56.100 -0.251 0.000 0.963 164 R CB -0.169 29.953 30.300 -0.296 0.000 0.858 164 R HN 0.425 nan 8.270 nan 0.000 0.435 165 K N -0.133 120.187 120.400 -0.134 0.000 2.280 165 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 165 K C 1.765 178.308 176.600 -0.096 0.000 1.047 165 K CA 0.983 57.214 56.287 -0.094 0.000 0.942 165 K CB 0.041 32.493 32.500 -0.079 0.000 0.739 165 K HN 0.235 nan 8.250 nan 0.000 0.457 166 A N 1.035 123.787 122.820 -0.114 0.000 2.168 166 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 166 A C 0.511 178.040 177.584 -0.092 0.000 1.152 166 A CA 0.432 52.404 52.037 -0.109 0.000 0.716 166 A CB -0.210 18.717 19.000 -0.121 0.000 0.794 166 A HN 0.192 nan 8.150 nan 0.000 0.465 167 S N -0.897 114.750 115.700 -0.089 0.000 3.436 167 S HA -0.147 4.323 4.470 -0.000 0.000 0.393 167 S C 0.044 174.605 174.600 -0.065 0.000 0.914 167 S CA 0.660 58.817 58.200 -0.072 0.000 1.317 167 S CB -1.973 61.192 63.200 -0.059 0.000 0.920 167 S HN 0.520 nan 8.310 nan 0.000 0.564 168 L N 1.631 122.812 121.223 -0.070 0.000 2.439 168 L HA 0.728 5.067 4.340 -0.000 0.000 0.259 168 L C 0.533 177.376 176.870 -0.045 0.000 1.129 168 L CA -0.562 54.243 54.840 -0.058 0.000 0.803 168 L CB 0.808 42.829 42.059 -0.063 0.000 1.161 168 L HN 0.642 nan 8.230 nan 0.000 0.462 169 D N -1.074 119.305 120.400 -0.035 0.000 2.653 169 D HA 0.271 4.911 4.640 -0.000 0.000 0.258 169 D C -2.532 173.756 176.300 -0.019 0.000 1.252 169 D CA -1.347 52.638 54.000 -0.026 0.000 0.777 169 D CB 1.251 42.038 40.800 -0.022 0.000 1.339 169 D HN 0.024 nan 8.370 nan 0.000 0.422 170 P HA -0.166 nan 4.420 nan 0.000 0.217 170 P C 1.048 178.346 177.300 -0.003 0.000 1.148 170 P CA 2.005 65.100 63.100 -0.008 0.000 0.834 170 P CB 0.043 31.740 31.700 -0.006 0.000 0.783 171 S N -2.792 112.905 115.700 -0.005 0.000 2.603 171 S HA 0.090 4.560 4.470 -0.000 0.000 0.220 171 S C 0.736 175.334 174.600 -0.004 0.000 0.967 171 S CA 0.081 58.279 58.200 -0.002 0.000 0.920 171 S CB -0.480 62.717 63.200 -0.004 0.000 0.773 171 S HN 0.091 nan 8.310 nan 0.000 0.529 172 K N 0.986 121.381 120.400 -0.009 0.000 2.123 172 K HA 0.521 4.841 4.320 -0.000 0.000 0.248 172 K C -0.848 175.747 176.600 -0.007 0.000 0.969 172 K CA -0.452 55.827 56.287 -0.013 0.000 0.882 172 K CB 1.425 33.910 32.500 -0.025 0.000 1.080 172 K HN -0.019 nan 8.250 nan 0.000 0.441 173 T N 1.971 116.520 114.554 -0.009 0.000 2.807 173 T HA 0.338 4.688 4.350 -0.000 0.000 0.279 173 T C -1.120 173.566 174.700 -0.022 0.000 0.993 173 T CA -0.668 61.431 62.100 -0.001 0.000 0.970 173 T CB 0.806 69.677 68.868 0.006 0.000 0.950 173 T HN 0.266 nan 8.240 nan 0.000 0.441 174 L N 4.686 125.893 121.223 -0.026 0.000 2.317 174 L HA 0.779 5.119 4.340 -0.000 0.000 0.281 174 L C -1.105 175.729 176.870 -0.059 0.000 1.024 174 L CA -0.484 54.321 54.840 -0.058 0.000 0.810 174 L CB 1.365 43.384 42.059 -0.067 0.000 1.240 174 L HN 0.424 nan 8.230 nan 0.000 0.427 175 V N 5.770 125.624 119.914 -0.099 0.000 2.409 175 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 175 V C -0.504 175.475 176.094 -0.192 0.000 1.020 175 V CA -0.657 61.571 62.300 -0.120 0.000 0.848 175 V CB 1.827 33.582 31.823 -0.113 0.000 0.990 175 V HN 0.549 nan 8.190 nan 0.000 0.430 176 V N 6.153 125.962 119.914 -0.176 0.000 2.370 176 V HA 0.449 4.569 4.120 -0.000 0.000 0.283 176 V C -0.107 175.839 176.094 -0.247 0.000 1.023 176 V CA -0.544 61.636 62.300 -0.200 0.000 0.857 176 V CB 1.571 33.313 31.823 -0.135 0.000 0.985 176 V HN 0.577 nan 8.190 nan 0.000 0.443 177 I N 4.204 124.581 120.570 -0.321 0.000 2.325 177 I HA 0.515 4.685 4.170 -0.000 0.000 0.291 177 I C 1.164 177.132 176.117 -0.249 0.000 1.019 177 I CA 0.114 61.197 61.300 -0.361 0.000 1.302 177 I CB 0.333 38.049 38.000 -0.473 0.000 1.401 177 I HN 0.921 nan 8.210 nan 0.000 0.485 178 G N 4.782 113.466 108.800 -0.193 0.000 2.164 178 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.212 178 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.212 178 G C 0.923 175.769 174.900 -0.089 0.000 1.031 178 G CA 0.167 45.181 45.100 -0.142 0.000 0.730 178 G HN 0.856 nan 8.290 nan 0.000 0.501 179 A N -0.300 122.468 122.820 -0.087 0.000 2.121 179 A HA 0.395 4.715 4.320 -0.000 0.000 0.218 179 A C 2.465 180.034 177.584 -0.025 0.000 1.154 179 A CA 2.198 54.199 52.037 -0.060 0.000 0.679 179 A CB -0.281 18.682 19.000 -0.061 0.000 0.795 179 A HN 1.607 nan 8.150 nan 0.000 0.458 180 G N -0.862 107.931 108.800 -0.012 0.000 2.777 180 G HA2 0.370 4.330 3.960 -0.000 0.000 0.211 180 G HA3 0.370 4.330 3.960 -0.000 0.000 0.211 180 G C 0.831 175.754 174.900 0.038 0.000 1.149 180 G CA 0.678 45.785 45.100 0.013 0.000 0.785 180 G HN 0.697 nan 8.290 nan 0.000 0.536 181 G N -0.229 108.600 108.800 0.048 0.000 2.494 181 G HA2 0.405 4.365 3.960 -0.000 0.000 0.270 181 G HA3 0.405 4.365 3.960 -0.000 0.000 0.270 181 G C 1.328 176.274 174.900 0.077 0.000 1.423 181 G CA 0.244 45.398 45.100 0.090 0.000 1.055 181 G HN 0.192 nan 8.290 nan 0.000 0.536 182 G N -0.704 108.158 108.800 0.105 0.000 2.453 182 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.215 182 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.215 182 G C 1.694 176.635 174.900 0.067 0.000 1.201 182 G CA 0.935 46.089 45.100 0.090 0.000 0.784 182 G HN 0.312 nan 8.290 nan 0.000 0.545 183 L N 1.486 122.749 121.223 0.067 0.000 2.217 183 L HA 0.185 4.525 4.340 -0.000 0.000 0.211 183 L C 3.026 179.899 176.870 0.004 0.000 1.107 183 L CA 1.398 56.259 54.840 0.035 0.000 0.783 183 L CB -0.708 41.367 42.059 0.026 0.000 0.919 183 L HN 0.265 nan 8.230 nan 0.000 0.442 184 G N -0.897 107.903 108.800 0.000 0.000 2.421 184 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 184 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 184 G C 1.644 176.535 174.900 -0.016 0.000 1.171 184 G CA 1.354 46.440 45.100 -0.024 0.000 0.775 184 G HN 0.445 nan 8.290 nan 0.000 0.543 185 T N -1.413 113.142 114.554 0.002 0.000 2.867 185 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 185 T C 2.290 176.991 174.700 0.001 0.000 1.057 185 T CA 1.537 63.638 62.100 0.002 0.000 1.136 185 T CB -0.142 68.733 68.868 0.013 0.000 0.874 185 T HN 0.112 nan 8.240 nan 0.000 0.466 186 M N 1.971 121.575 119.600 0.007 0.000 2.193 186 M HA 0.403 4.883 4.480 -0.000 0.000 0.265 186 M C 2.515 178.816 176.300 0.003 0.000 1.071 186 M CA 1.150 56.456 55.300 0.010 0.000 1.140 186 M CB -0.884 31.730 32.600 0.023 0.000 1.369 186 M HN 0.342 nan 8.290 nan 0.000 0.423 187 A N 0.008 122.821 122.820 -0.011 0.000 1.902 187 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 187 A C 2.190 179.754 177.584 -0.033 0.000 1.181 187 A CA 1.828 53.848 52.037 -0.029 0.000 0.623 187 A CB -1.081 17.886 19.000 -0.055 0.000 0.818 187 A HN 0.548 nan 8.150 nan 0.000 0.443 188 I N -0.558 119.993 120.570 -0.032 0.000 2.179 188 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 188 I C 2.851 178.954 176.117 -0.023 0.000 1.088 188 I CA 1.622 62.903 61.300 -0.032 0.000 1.357 188 I CB -0.463 37.519 38.000 -0.030 0.000 1.051 188 I HN 0.446 nan 8.210 nan 0.000 0.409 189 Q N 0.476 120.268 119.800 -0.014 0.000 2.096 189 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 189 Q C 2.364 178.363 176.000 -0.003 0.000 0.982 189 Q CA 1.622 57.419 55.803 -0.010 0.000 0.850 189 Q CB -0.136 28.599 28.738 -0.005 0.000 0.901 189 Q HN 0.556 nan 8.270 nan 0.000 0.422 190 I N 0.535 121.109 120.570 0.007 0.000 2.179 190 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 190 I C 2.464 178.581 176.117 0.001 0.000 1.088 190 I CA 0.946 62.263 61.300 0.028 0.000 1.357 190 I CB -0.467 37.571 38.000 0.064 0.000 1.051 190 I HN 0.153 nan 8.210 nan 0.000 0.409 191 A N 0.561 123.367 122.820 -0.024 0.000 1.940 191 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 191 A C 2.265 179.831 177.584 -0.030 0.000 1.176 191 A CA 1.507 53.520 52.037 -0.040 0.000 0.631 191 A CB -0.341 18.628 19.000 -0.051 0.000 0.814 191 A HN 0.212 nan 8.150 nan 0.000 0.446 192 K N -0.322 120.063 120.400 -0.024 0.000 2.211 192 K HA 0.042 4.362 4.320 -0.000 0.000 0.203 192 K C 2.061 178.651 176.600 -0.016 0.000 1.050 192 K CA 1.230 57.503 56.287 -0.023 0.000 0.945 192 K CB -0.486 31.999 32.500 -0.026 0.000 0.732 192 K HN 0.481 nan 8.250 nan 0.000 0.451 193 A N 0.725 123.541 122.820 -0.007 0.000 1.984 193 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 193 A C 1.834 179.423 177.584 0.008 0.000 1.173 193 A CA 1.010 53.048 52.037 0.002 0.000 0.673 193 A CB 0.052 19.058 19.000 0.009 0.000 0.830 193 A HN 0.119 nan 8.150 nan 0.000 0.453 194 V N -1.940 117.979 119.914 0.008 0.000 3.214 194 V HA 0.480 4.600 4.120 -0.000 0.000 0.330 194 V C 0.107 176.190 176.094 -0.018 0.000 1.403 194 V CA 0.566 62.870 62.300 0.006 0.000 1.143 194 V CB -1.105 30.732 31.823 0.024 0.000 1.098 194 V HN 0.765 nan 8.190 nan 0.000 0.463 195 S N -1.277 114.410 115.700 -0.022 0.000 2.587 195 S HA 0.679 5.149 4.470 -0.000 0.000 0.269 195 S C 0.321 174.908 174.600 -0.022 0.000 1.154 195 S CA 0.131 58.315 58.200 -0.027 0.000 0.824 195 S CB 1.081 64.257 63.200 -0.041 0.000 1.118 195 S HN 0.707 nan 8.310 nan 0.000 0.462 196 G N -0.046 108.743 108.800 -0.020 0.000 3.337 196 G HA2 0.552 4.512 3.960 -0.000 0.000 0.246 196 G HA3 0.552 4.512 3.960 -0.000 0.000 0.246 196 G C 0.566 175.458 174.900 -0.013 0.000 1.131 196 G CA 0.131 45.221 45.100 -0.016 0.000 0.773 196 G HN 1.231 nan 8.290 nan 0.000 0.544 197 A N 0.206 123.016 122.820 -0.017 0.000 2.406 197 A HA 0.536 4.856 4.320 -0.000 0.000 0.243 197 A C 0.671 178.254 177.584 -0.001 0.000 1.082 197 A CA 0.184 52.214 52.037 -0.012 0.000 0.786 197 A CB 0.147 19.133 19.000 -0.024 0.000 1.029 197 A HN 0.149 nan 8.150 nan 0.000 0.495 198 T N 2.560 117.126 114.554 0.020 0.000 2.794 198 T HA 0.412 4.762 4.350 -0.000 0.000 0.296 198 T C 0.016 174.745 174.700 0.048 0.000 0.949 198 T CA 0.130 62.263 62.100 0.055 0.000 1.101 198 T CB 0.000 68.941 68.868 0.121 0.000 0.905 198 T HN 0.334 nan 8.240 nan 0.000 0.516 199 I N 4.693 125.285 120.570 0.036 0.000 2.339 199 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 199 I C 0.078 176.233 176.117 0.063 0.000 0.994 199 I CA -0.905 60.407 61.300 0.020 0.000 1.191 199 I CB 0.860 38.849 38.000 -0.019 0.000 1.343 199 I HN 0.572 nan 8.210 nan 0.000 0.458 200 I N 5.030 125.636 120.570 0.059 0.000 2.378 200 I HA 0.499 4.669 4.170 -0.000 0.000 0.291 200 I C 0.634 176.754 176.117 0.005 0.000 0.992 200 I CA -0.413 60.936 61.300 0.082 0.000 1.154 200 I CB 2.082 40.123 38.000 0.068 0.000 1.315 200 I HN 0.651 nan 8.210 nan 0.000 0.448 201 G N 5.626 114.433 108.800 0.011 0.000 2.372 201 G HA2 0.614 4.574 3.960 -0.000 0.000 0.323 201 G HA3 0.614 4.574 3.960 -0.000 0.000 0.323 201 G C -0.936 173.944 174.900 -0.034 0.000 1.152 201 G CA -0.318 44.764 45.100 -0.030 0.000 0.906 201 G HN 0.340 nan 8.290 nan 0.000 0.460 202 V N 2.798 122.662 119.914 -0.083 0.000 2.540 202 V HA 0.602 4.722 4.120 -0.000 0.000 0.302 202 V C -0.660 175.386 176.094 -0.080 0.000 1.035 202 V CA -0.660 61.593 62.300 -0.078 0.000 0.873 202 V CB 1.802 33.531 31.823 -0.155 0.000 0.992 202 V HN 0.838 nan 8.190 nan 0.000 0.428 203 D N 1.692 122.071 120.400 -0.035 0.000 2.759 203 D HA 0.419 5.059 4.640 -0.000 0.000 0.321 203 D C -0.081 176.212 176.300 -0.011 0.000 1.267 203 D CA -0.043 53.934 54.000 -0.038 0.000 0.933 203 D CB 2.767 43.548 40.800 -0.032 0.000 1.431 203 D HN 0.410 nan 8.370 nan 0.000 0.504 204 V N -1.391 118.508 119.914 -0.024 0.000 3.432 204 V HA 0.540 4.659 4.120 -0.000 0.000 0.298 204 V C 0.327 176.425 176.094 0.006 0.000 1.464 204 V CA -0.094 62.202 62.300 -0.006 0.000 1.046 204 V CB 0.206 32.014 31.823 -0.024 0.000 0.887 204 V HN 0.224 nan 8.190 nan 0.000 0.441 205 R N 0.548 121.053 120.500 0.009 0.000 2.599 205 R HA 0.449 4.789 4.340 -0.000 0.000 0.295 205 R C 0.707 177.022 176.300 0.025 0.000 0.963 205 R CA -0.378 55.737 56.100 0.026 0.000 0.883 205 R CB 2.435 32.759 30.300 0.040 0.000 1.171 205 R HN 0.284 nan 8.270 nan 0.000 0.450 206 E N 1.675 121.892 120.200 0.028 0.000 2.097 206 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 206 E C 0.506 177.121 176.600 0.024 0.000 1.000 206 E CA 1.848 58.263 56.400 0.025 0.000 0.804 206 E CB 0.393 30.108 29.700 0.025 0.000 0.740 206 E HN 0.501 nan 8.360 nan 0.000 0.454 207 E N 0.380 120.597 120.200 0.029 0.000 2.110 207 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 207 E C 1.801 178.418 176.600 0.029 0.000 0.988 207 E CA 1.145 57.562 56.400 0.030 0.000 0.804 207 E CB -0.356 29.366 29.700 0.037 0.000 0.745 207 E HN 0.356 nan 8.360 nan 0.000 0.458 208 A N 0.838 123.676 122.820 0.031 0.000 1.930 208 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 208 A C 2.153 179.746 177.584 0.015 0.000 1.175 208 A CA 0.989 53.042 52.037 0.027 0.000 0.627 208 A CB -0.542 18.472 19.000 0.023 0.000 0.815 208 A HN 0.206 nan 8.150 nan 0.000 0.443 209 L N -0.800 120.432 121.223 0.014 0.000 2.156 209 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 209 L C 2.454 179.331 176.870 0.011 0.000 1.095 209 L CA 1.180 56.027 54.840 0.011 0.000 0.770 209 L CB -0.640 41.429 42.059 0.016 0.000 0.914 209 L HN 0.496 nan 8.230 nan 0.000 0.439 210 E N 0.566 120.773 120.200 0.013 0.000 2.077 210 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 210 E C 2.322 178.927 176.600 0.008 0.000 0.989 210 E CA 1.191 57.597 56.400 0.010 0.000 0.800 210 E CB -0.120 29.587 29.700 0.013 0.000 0.746 210 E HN 0.487 nan 8.360 nan 0.000 0.452 211 A N 1.615 124.442 122.820 0.011 0.000 1.902 211 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 211 A C 2.423 180.010 177.584 0.004 0.000 1.181 211 A CA 1.653 53.697 52.037 0.011 0.000 0.623 211 A CB -0.639 18.372 19.000 0.019 0.000 0.818 211 A HN 0.290 nan 8.150 nan 0.000 0.443 212 A N -0.164 122.656 122.820 0.001 0.000 1.933 212 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 212 A C 2.106 179.683 177.584 -0.012 0.000 1.175 212 A CA 1.837 53.869 52.037 -0.007 0.000 0.628 212 A CB -0.394 18.601 19.000 -0.009 0.000 0.814 212 A HN 0.577 nan 8.150 nan 0.000 0.444 213 K N -0.657 119.738 120.400 -0.009 0.000 2.062 213 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 213 K C 2.199 178.788 176.600 -0.018 0.000 1.051 213 K CA 1.149 57.426 56.287 -0.017 0.000 0.941 213 K CB -0.199 32.294 32.500 -0.012 0.000 0.719 213 K HN 0.358 nan 8.250 nan 0.000 0.440 214 R N 0.571 121.065 120.500 -0.010 0.000 2.159 214 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 214 R C 2.166 178.459 176.300 -0.012 0.000 1.131 214 R CA 1.143 57.237 56.100 -0.009 0.000 0.982 214 R CB -0.283 30.015 30.300 -0.003 0.000 0.868 214 R HN 0.184 nan 8.270 nan 0.000 0.453 215 A N -0.036 122.776 122.820 -0.012 0.000 2.119 215 A HA 0.130 4.449 4.320 -0.000 0.000 0.216 215 A C 1.472 179.043 177.584 -0.021 0.000 1.152 215 A CA 1.138 53.167 52.037 -0.014 0.000 0.708 215 A CB 0.040 19.033 19.000 -0.012 0.000 0.805 215 A HN 0.464 nan 8.150 nan 0.000 0.460 216 G N -2.382 106.401 108.800 -0.028 0.000 2.154 216 G HA2 0.196 4.156 3.960 -0.000 0.000 0.186 216 G HA3 0.196 4.156 3.960 -0.000 0.000 0.186 216 G C 0.340 175.209 174.900 -0.052 0.000 1.000 216 G CA 0.070 45.147 45.100 -0.039 0.000 0.664 216 G HN 1.497 nan 8.290 nan 0.000 0.513 217 A N 0.319 123.111 122.820 -0.047 0.000 2.540 217 A HA 0.466 4.786 4.320 -0.000 0.000 0.239 217 A C 1.301 178.824 177.584 -0.102 0.000 1.061 217 A CA 0.994 53.000 52.037 -0.051 0.000 0.758 217 A CB 0.282 19.266 19.000 -0.026 0.000 0.991 217 A HN 0.238 nan 8.150 nan 0.000 0.502 218 D N 0.024 120.339 120.400 -0.142 0.000 2.183 218 D HA 0.022 4.662 4.640 -0.000 0.000 0.203 218 D C -0.483 175.438 176.300 -0.632 0.000 0.969 218 D CA 1.823 55.606 54.000 -0.362 0.000 0.842 218 D CB 0.028 40.624 40.800 -0.341 0.000 0.957 218 D HN 0.623 nan 8.370 nan 0.000 0.484 219 Y N -1.100 119.191 120.300 -0.015 0.000 2.544 219 Y HA 0.346 4.896 4.550 -0.000 0.000 0.342 219 Y C -0.246 175.646 175.900 -0.014 0.000 1.062 219 Y CA -1.388 56.706 58.100 -0.010 0.000 1.023 219 Y CB 1.996 40.452 38.460 -0.007 0.000 1.308 219 Y HN -0.331 nan 8.280 nan 0.000 0.457 220 V N 0.440 120.446 119.914 0.154 0.000 2.876 220 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 220 V C -0.988 175.151 176.094 0.074 0.000 1.085 220 V CA -1.026 61.322 62.300 0.079 0.000 0.945 220 V CB 2.257 34.105 31.823 0.042 0.000 1.017 220 V HN 0.682 nan 8.190 nan 0.000 0.428 221 I N 2.993 123.593 120.570 0.049 0.000 2.499 221 I HA 0.440 4.610 4.170 -0.000 0.000 0.288 221 I C -0.709 175.432 176.117 0.041 0.000 1.048 221 I CA -0.462 60.867 61.300 0.049 0.000 1.062 221 I CB 2.135 40.169 38.000 0.057 0.000 1.238 221 I HN 0.749 nan 8.210 nan 0.000 0.426 222 N N 4.839 123.564 118.700 0.041 0.000 2.462 222 N HA 0.296 5.036 4.740 -0.000 0.000 0.242 222 N C 0.536 176.075 175.510 0.048 0.000 1.010 222 N CA -0.107 52.966 53.050 0.037 0.000 0.939 222 N CB 1.898 40.404 38.487 0.031 0.000 1.127 222 N HN 0.797 nan 8.380 nan 0.000 0.509 223 A N 2.723 125.579 122.820 0.060 0.000 2.239 223 A HA -0.009 4.311 4.320 -0.000 0.000 0.209 223 A C 1.792 179.410 177.584 0.057 0.000 1.171 223 A CA 0.743 52.829 52.037 0.082 0.000 0.768 223 A CB 0.022 19.104 19.000 0.136 0.000 0.790 223 A HN 0.638 nan 8.150 nan 0.000 0.478 224 S N -0.271 115.454 115.700 0.042 0.000 2.404 224 S HA -0.064 4.406 4.470 -0.000 0.000 0.223 224 S C 2.251 176.869 174.600 0.030 0.000 1.040 224 S CA 1.229 59.450 58.200 0.035 0.000 0.957 224 S CB -0.056 63.163 63.200 0.031 0.000 0.826 224 S HN 0.860 nan 8.310 nan 0.000 0.491 225 S N 0.533 116.251 115.700 0.030 0.000 2.483 225 S HA 0.235 4.704 4.470 -0.000 0.000 0.221 225 S C 0.630 175.245 174.600 0.025 0.000 1.030 225 S CA -0.286 57.929 58.200 0.025 0.000 0.925 225 S CB -0.016 63.199 63.200 0.024 0.000 0.795 225 S HN 0.369 nan 8.310 nan 0.000 0.511 226 Q N 0.960 120.778 119.800 0.030 0.000 2.241 226 Q HA 0.422 4.762 4.340 -0.000 0.000 0.262 226 Q C -1.428 174.590 176.000 0.031 0.000 1.014 226 Q CA -0.817 55.003 55.803 0.029 0.000 0.885 226 Q CB 0.881 29.639 28.738 0.033 0.000 1.311 226 Q HN 0.141 nan 8.270 nan 0.000 0.461 227 D N 2.114 122.528 120.400 0.024 0.000 2.441 227 D HA 0.091 4.731 4.640 -0.000 0.000 0.221 227 D C -1.596 174.724 176.300 0.034 0.000 1.156 227 D CA -2.052 51.959 54.000 0.019 0.000 0.896 227 D CB 1.050 41.854 40.800 0.007 0.000 1.028 227 D HN 0.251 nan 8.370 nan 0.000 0.509 228 P HA -0.206 nan 4.420 nan 0.000 0.216 228 P C 1.613 178.971 177.300 0.096 0.000 1.154 228 P CA 0.718 63.886 63.100 0.114 0.000 0.865 228 P CB 0.425 32.246 31.700 0.202 0.000 0.789 229 V N 0.679 120.617 119.914 0.039 0.000 2.261 229 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 229 V C 2.821 178.934 176.094 0.032 0.000 1.047 229 V CA 2.533 64.854 62.300 0.035 0.000 1.015 229 V CB -1.622 30.201 31.823 0.001 0.000 0.642 229 V HN 0.171 nan 8.190 nan 0.000 0.446 230 S N -0.688 115.022 115.700 0.017 0.000 2.370 230 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 230 S C 2.006 176.607 174.600 0.002 0.000 1.033 230 S CA 1.356 59.560 58.200 0.007 0.000 1.011 230 S CB -0.332 62.869 63.200 0.002 0.000 0.852 230 S HN 0.575 nan 8.310 nan 0.000 0.457 231 E N 1.067 121.272 120.200 0.009 0.000 2.051 231 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 231 E C 2.060 178.644 176.600 -0.027 0.000 0.991 231 E CA 0.820 57.215 56.400 -0.009 0.000 0.799 231 E CB -0.384 29.320 29.700 0.008 0.000 0.748 231 E HN 0.512 nan 8.360 nan 0.000 0.449 232 I N 0.890 121.467 120.570 0.012 0.000 2.286 232 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 232 I C 2.452 178.563 176.117 -0.010 0.000 1.115 232 I CA 0.833 62.138 61.300 0.009 0.000 1.392 232 I CB -0.142 37.904 38.000 0.075 0.000 1.065 232 I HN -0.018 nan 8.210 nan 0.000 0.418 233 R N 0.457 120.959 120.500 0.003 0.000 2.081 233 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 233 R C 2.273 178.557 176.300 -0.027 0.000 1.131 233 R CA 1.190 57.289 56.100 -0.002 0.000 0.960 233 R CB -0.794 29.511 30.300 0.008 0.000 0.856 233 R HN 0.410 nan 8.270 nan 0.000 0.436 234 R N 0.832 121.308 120.500 -0.040 0.000 2.066 234 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 234 R C 2.363 178.603 176.300 -0.101 0.000 1.131 234 R CA 1.269 57.334 56.100 -0.058 0.000 0.955 234 R CB -0.281 29.985 30.300 -0.056 0.000 0.851 234 R HN 0.119 nan 8.270 nan 0.000 0.432 235 I N 0.848 121.323 120.570 -0.159 0.000 2.264 235 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 235 I C 1.909 177.922 176.117 -0.174 0.000 1.111 235 I CA 1.853 62.986 61.300 -0.278 0.000 1.382 235 I CB -0.294 37.444 38.000 -0.437 0.000 1.060 235 I HN 0.394 nan 8.210 nan 0.000 0.418 236 T N -2.209 112.286 114.554 -0.099 0.000 3.188 236 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 236 T C 0.675 175.354 174.700 -0.034 0.000 1.077 236 T CA -0.275 61.793 62.100 -0.052 0.000 0.967 236 T CB -0.095 68.757 68.868 -0.027 0.000 1.006 236 T HN 0.425 nan 8.240 nan 0.000 0.552 237 Q N 0.214 119.989 119.800 -0.042 0.000 2.453 237 Q HA -0.226 4.114 4.340 -0.000 0.000 0.294 237 Q C 1.184 177.176 176.000 -0.014 0.000 1.295 237 Q CA 0.478 56.266 55.803 -0.026 0.000 0.853 237 Q CB -2.090 26.636 28.738 -0.019 0.000 1.193 237 Q HN 1.021 nan 8.270 nan 0.000 0.461 238 G N -0.239 108.554 108.800 -0.011 0.000 2.205 238 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.261 238 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.261 238 G C 0.614 175.518 174.900 0.007 0.000 0.980 238 G CA 0.827 45.926 45.100 -0.000 0.000 0.632 238 G HN 0.414 nan 8.290 nan 0.000 0.533 239 K N 0.724 121.126 120.400 0.003 0.000 2.062 239 K HA 0.346 4.666 4.320 -0.000 0.000 0.205 239 K C 1.465 178.073 176.600 0.014 0.000 1.051 239 K CA 1.791 58.082 56.287 0.007 0.000 0.941 239 K CB -0.257 32.243 32.500 0.001 0.000 0.719 239 K HN 1.848 nan 8.250 nan 0.000 0.440 240 G N -0.512 108.297 108.800 0.015 0.000 2.603 240 G HA2 0.002 3.962 3.960 -0.000 0.000 0.686 240 G HA3 0.002 3.962 3.960 -0.000 0.000 0.686 240 G C -0.970 173.941 174.900 0.018 0.000 1.286 240 G CA -0.449 44.669 45.100 0.029 0.000 0.871 240 G HN 0.432 nan 8.290 nan 0.000 0.568 241 A N -0.292 122.545 122.820 0.028 0.000 2.366 241 A HA 0.608 4.928 4.320 -0.000 0.000 0.272 241 A C 1.131 178.709 177.584 -0.011 0.000 1.135 241 A CA 0.631 52.672 52.037 0.007 0.000 0.804 241 A CB 0.323 19.331 19.000 0.014 0.000 1.064 241 A HN 0.633 nan 8.150 nan 0.000 0.499 242 D N 1.034 121.419 120.400 -0.025 0.000 2.277 242 D HA 0.189 4.829 4.640 -0.000 0.000 0.208 242 D C 0.629 176.892 176.300 -0.061 0.000 0.962 242 D CA 1.718 55.695 54.000 -0.037 0.000 0.865 242 D CB 0.279 41.059 40.800 -0.034 0.000 0.939 242 D HN 0.686 nan 8.370 nan 0.000 0.510 243 A N 0.185 122.961 122.820 -0.073 0.000 2.566 243 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 243 A C -1.296 176.196 177.584 -0.152 0.000 1.059 243 A CA -0.548 51.421 52.037 -0.114 0.000 0.691 243 A CB 1.968 20.900 19.000 -0.112 0.000 1.282 243 A HN -0.092 nan 8.150 nan 0.000 0.401 244 V N 2.653 122.418 119.914 -0.249 0.000 2.577 244 V HA 0.447 4.567 4.120 -0.000 0.000 0.303 244 V C -0.669 175.125 176.094 -0.499 0.000 1.042 244 V CA -0.175 61.894 62.300 -0.386 0.000 0.872 244 V CB 1.673 33.178 31.823 -0.531 0.000 0.998 244 V HN 0.739 nan 8.190 nan 0.000 0.423 245 I N 3.912 124.250 120.570 -0.387 0.000 2.330 245 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 245 I C -0.458 175.441 176.117 -0.363 0.000 1.025 245 I CA -0.217 60.883 61.300 -0.334 0.000 1.197 245 I CB 1.261 39.130 38.000 -0.220 0.000 1.358 245 I HN 0.539 nan 8.210 nan 0.000 0.467 246 D N 7.538 127.694 120.400 -0.406 0.000 2.347 246 D HA 0.216 4.856 4.640 -0.000 0.000 0.235 246 D C 0.441 176.610 176.300 -0.219 0.000 1.149 246 D CA -0.136 53.681 54.000 -0.304 0.000 0.850 246 D CB 1.296 41.990 40.800 -0.177 0.000 1.061 246 D HN 0.452 nan 8.370 nan 0.000 0.487 247 L N 3.368 124.446 121.223 -0.241 0.000 2.653 247 L HA 0.250 4.590 4.340 -0.000 0.000 0.232 247 L C 1.416 178.041 176.870 -0.409 0.000 1.169 247 L CA -0.042 54.659 54.840 -0.232 0.000 0.951 247 L CB -0.130 41.823 42.059 -0.176 0.000 1.181 247 L HN 0.355 nan 8.230 nan 0.000 0.460 248 N N -0.743 117.665 118.700 -0.486 0.000 2.979 248 N HA 0.067 4.807 4.740 -0.000 0.000 0.247 248 N C -0.117 175.116 175.510 -0.462 0.000 1.012 248 N CA -0.234 52.238 53.050 -0.963 0.000 1.061 248 N CB 0.706 38.731 38.487 -0.770 0.000 1.677 248 N HN 0.111 nan 8.380 nan 0.000 0.558 249 N N 1.737 120.346 118.700 -0.151 0.000 2.738 249 N HA -0.124 4.616 4.740 -0.000 0.000 0.249 249 N C -0.683 174.874 175.510 0.078 0.000 1.047 249 N CA 0.847 53.912 53.050 0.025 0.000 0.707 249 N CB -1.238 37.270 38.487 0.036 0.000 0.937 249 N HN 0.385 nan 8.380 nan 0.000 0.545 250 S N -1.457 114.304 115.700 0.102 0.000 2.730 250 S HA 0.463 4.933 4.470 -0.000 0.000 0.284 250 S C 1.307 175.999 174.600 0.153 0.000 1.153 250 S CA -0.471 57.853 58.200 0.206 0.000 0.995 250 S CB 2.358 65.748 63.200 0.317 0.000 1.058 250 S HN 0.180 nan 8.310 nan 0.000 0.552 251 E N 0.960 121.249 120.200 0.149 0.000 2.118 251 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 251 E C 1.627 178.293 176.600 0.109 0.000 0.992 251 E CA 1.779 58.245 56.400 0.109 0.000 0.804 251 E CB -0.354 29.405 29.700 0.098 0.000 0.741 251 E HN 0.693 nan 8.360 nan 0.000 0.458 252 K N -0.512 119.965 120.400 0.129 0.000 1.985 252 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 252 K C 2.410 179.088 176.600 0.130 0.000 1.047 252 K CA 2.002 58.358 56.287 0.116 0.000 0.932 252 K CB -0.605 31.972 32.500 0.129 0.000 0.716 252 K HN 0.389 nan 8.250 nan 0.000 0.439 253 T N 0.396 115.063 114.554 0.189 0.000 2.821 253 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 253 T C 1.971 176.844 174.700 0.287 0.000 1.046 253 T CA 0.903 63.197 62.100 0.324 0.000 1.139 253 T CB -0.418 68.638 68.868 0.313 0.000 0.871 253 T HN 0.075 nan 8.240 nan 0.000 0.454 254 L N 2.014 123.341 121.223 0.175 0.000 2.465 254 L HA 0.051 4.390 4.340 -0.000 0.000 0.224 254 L C 2.872 179.804 176.870 0.103 0.000 1.145 254 L CA 1.110 55.998 54.840 0.080 0.000 0.834 254 L CB -0.527 41.544 42.059 0.019 0.000 0.944 254 L HN 0.520 nan 8.230 nan 0.000 0.451 255 S N -1.359 114.419 115.700 0.131 0.000 2.558 255 S HA 0.122 4.592 4.470 -0.000 0.000 0.217 255 S C 1.495 176.214 174.600 0.198 0.000 0.975 255 S CA 0.014 58.323 58.200 0.181 0.000 0.912 255 S CB 0.087 63.339 63.200 0.087 0.000 0.776 255 S HN 0.367 nan 8.310 nan 0.000 0.526 256 I N -1.029 119.577 120.570 0.060 0.000 3.523 256 I HA 0.172 4.342 4.170 -0.000 0.000 0.244 256 I C 1.724 177.780 176.117 -0.102 0.000 1.110 256 I CA 0.093 61.302 61.300 -0.151 0.000 1.517 256 I CB -0.318 37.304 38.000 -0.630 0.000 1.505 256 I HN 0.103 nan 8.210 nan 0.000 0.460 257 Y N 1.234 121.675 120.300 0.236 0.000 2.274 257 Y HA -0.067 4.483 4.550 -0.000 0.000 0.290 257 Y C -0.636 175.398 175.900 0.225 0.000 1.145 257 Y CA 0.858 59.118 58.100 0.267 0.000 1.203 257 Y CB -2.292 36.374 38.460 0.343 0.000 0.984 257 Y HN 0.204 nan 8.280 nan 0.000 0.533 258 P HA -0.159 nan 4.420 nan 0.000 0.225 258 P C 0.429 177.611 177.300 -0.197 0.000 1.148 258 P CA 1.533 64.432 63.100 -0.335 0.000 0.779 258 P CB -0.246 31.062 31.700 -0.653 0.000 0.780 259 Y N -1.675 118.757 120.300 0.221 0.000 2.466 259 Y HA 0.073 4.623 4.550 -0.000 0.000 0.272 259 Y C 1.623 177.604 175.900 0.135 0.000 1.169 259 Y CA 0.039 58.260 58.100 0.201 0.000 1.285 259 Y CB -0.310 38.220 38.460 0.118 0.000 1.078 259 Y HN -0.140 nan 8.280 nan 0.000 0.523 260 V N -2.665 117.388 119.914 0.231 0.000 3.121 260 V HA 0.333 4.453 4.120 -0.000 0.000 0.344 260 V C -0.004 176.171 176.094 0.134 0.000 1.390 260 V CA -0.455 61.951 62.300 0.177 0.000 1.177 260 V CB -0.771 31.165 31.823 0.188 0.000 1.163 260 V HN 0.060 nan 8.190 nan 0.000 0.484 261 L N 2.282 123.574 121.223 0.116 0.000 2.371 261 L HA 0.737 5.077 4.340 -0.000 0.000 0.272 261 L C 1.033 177.927 176.870 0.041 0.000 1.124 261 L CA 0.245 55.119 54.840 0.056 0.000 0.816 261 L CB 1.191 43.247 42.059 -0.005 0.000 1.129 261 L HN 0.408 nan 8.230 nan 0.000 0.448 262 A N 3.745 126.575 122.820 0.016 0.000 2.272 262 A HA 0.350 4.670 4.320 -0.000 0.000 0.275 262 A C -0.080 177.505 177.584 0.000 0.000 1.096 262 A CA -0.553 51.491 52.037 0.012 0.000 0.822 262 A CB 0.298 19.299 19.000 0.001 0.000 1.088 262 A HN 0.701 nan 8.150 nan 0.000 0.495 263 K N 0.461 120.863 120.400 0.004 0.000 2.448 263 K HA 0.128 4.448 4.320 -0.000 0.000 0.278 263 K C 0.060 176.649 176.600 -0.018 0.000 1.009 263 K CA 0.550 56.836 56.287 -0.001 0.000 0.995 263 K CB 0.173 32.675 32.500 0.005 0.000 0.917 263 K HN 0.725 nan 8.250 nan 0.000 0.481 264 Q N -1.173 118.609 119.800 -0.030 0.000 2.324 264 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 264 Q C 0.396 176.357 176.000 -0.066 0.000 0.645 264 Q CA 0.761 56.538 55.803 -0.043 0.000 1.377 264 Q CB -1.651 27.069 28.738 -0.031 0.000 1.486 264 Q HN 0.934 nan 8.270 nan 0.000 0.796 265 G N 1.308 110.065 108.800 -0.072 0.000 2.414 265 G HA2 0.214 4.174 3.960 -0.000 0.000 0.236 265 G HA3 0.214 4.174 3.960 -0.000 0.000 0.236 265 G C -0.275 174.539 174.900 -0.143 0.000 1.293 265 G CA -0.054 44.992 45.100 -0.089 0.000 0.869 265 G HN 0.036 nan 8.290 nan 0.000 0.556 266 K N 1.133 121.453 120.400 -0.132 0.000 2.307 266 K HA 0.187 4.507 4.320 -0.000 0.000 0.263 266 K C -1.499 175.009 176.600 -0.153 0.000 0.973 266 K CA -0.621 55.573 56.287 -0.154 0.000 0.846 266 K CB 2.113 34.542 32.500 -0.117 0.000 1.100 266 K HN 0.544 nan 8.250 nan 0.000 0.438 267 Y N 3.242 123.345 120.300 -0.327 0.000 2.595 267 Y HA 0.161 4.711 4.550 -0.000 0.000 0.336 267 Y C -0.550 175.282 175.900 -0.113 0.000 0.996 267 Y CA -0.730 57.227 58.100 -0.238 0.000 1.260 267 Y CB 0.678 38.919 38.460 -0.364 0.000 1.108 267 Y HN 0.234 nan 8.280 nan 0.000 0.509 268 V N 7.715 127.511 119.914 -0.198 0.000 2.389 268 V HA 0.166 4.286 4.120 -0.000 0.000 0.264 268 V C 0.080 176.108 176.094 -0.112 0.000 1.049 268 V CA -0.240 61.991 62.300 -0.114 0.000 0.932 268 V CB 0.495 32.229 31.823 -0.147 0.000 1.011 268 V HN 0.737 nan 8.190 nan 0.000 0.475 269 M N 5.128 124.741 119.600 0.022 0.000 2.111 269 M HA 0.288 4.767 4.480 -0.000 0.000 0.351 269 M C 0.468 176.755 176.300 -0.022 0.000 1.214 269 M CA -0.087 55.239 55.300 0.044 0.000 1.120 269 M CB 1.269 33.955 32.600 0.143 0.000 1.443 269 M HN 0.458 nan 8.290 nan 0.000 0.429 270 V N 1.597 121.472 119.914 -0.065 0.000 2.908 270 V HA 0.179 4.299 4.120 -0.000 0.000 0.240 270 V C 1.363 177.422 176.094 -0.059 0.000 1.117 270 V CA 0.551 62.805 62.300 -0.077 0.000 1.133 270 V CB -0.004 31.761 31.823 -0.097 0.000 0.857 270 V HN 0.959 nan 8.190 nan 0.000 0.478 271 G N 0.188 108.940 108.800 -0.081 0.000 2.559 271 G HA2 0.289 4.249 3.960 -0.000 0.000 0.235 271 G HA3 0.289 4.249 3.960 -0.000 0.000 0.235 271 G C -0.078 174.835 174.900 0.022 0.000 1.266 271 G CA -0.032 45.019 45.100 -0.082 0.000 0.847 271 G HN 0.365 nan 8.290 nan 0.000 0.583 272 L N 1.888 123.219 121.223 0.180 0.000 3.209 272 L HA 0.240 4.580 4.340 -0.000 0.000 0.279 272 L C 0.910 177.898 176.870 0.197 0.000 1.301 272 L CA -0.450 54.494 54.840 0.173 0.000 1.004 272 L CB 0.131 42.298 42.059 0.181 0.000 1.402 272 L HN 0.430 nan 8.230 nan 0.000 0.577 273 F N 1.448 121.426 119.950 0.046 0.000 2.333 273 F HA 0.102 4.629 4.527 -0.000 0.000 0.300 273 F C 1.706 177.532 175.800 0.043 0.000 1.083 273 F CA 0.614 58.677 58.000 0.104 0.000 1.395 273 F CB -0.578 38.519 39.000 0.162 0.000 1.056 273 F HN 0.276 nan 8.300 nan 0.000 0.529 274 G N 0.310 109.232 108.800 0.205 0.000 3.292 274 G HA2 0.377 4.337 3.960 -0.000 0.000 0.636 274 G HA3 0.377 4.337 3.960 -0.000 0.000 0.636 274 G C -0.599 174.374 174.900 0.122 0.000 1.069 274 G CA -0.343 44.831 45.100 0.122 0.000 0.890 274 G HN 0.879 nan 8.290 nan 0.000 0.427 275 A N 2.197 125.071 122.820 0.090 0.000 2.586 275 A HA 0.774 5.093 4.320 -0.000 0.000 0.291 275 A C -1.035 176.571 177.584 0.036 0.000 1.062 275 A CA -0.597 51.482 52.037 0.071 0.000 0.666 275 A CB 1.163 20.217 19.000 0.090 0.000 1.281 275 A HN 0.576 nan 8.150 nan 0.000 0.421 276 D N 0.645 121.058 120.400 0.021 0.000 2.175 276 D HA 0.476 5.116 4.640 -0.000 0.000 0.248 276 D C -0.618 175.661 176.300 -0.034 0.000 1.047 276 D CA -0.049 53.947 54.000 -0.006 0.000 0.883 276 D CB 1.937 42.736 40.800 -0.002 0.000 1.180 276 D HN 0.473 nan 8.370 nan 0.000 0.438 277 L N 2.000 123.171 121.223 -0.087 0.000 2.265 277 L HA 0.291 4.631 4.340 -0.000 0.000 0.288 277 L C -0.264 176.531 176.870 -0.125 0.000 1.058 277 L CA 0.045 54.781 54.840 -0.172 0.000 0.809 277 L CB 0.393 42.249 42.059 -0.337 0.000 1.179 277 L HN 0.189 nan 8.230 nan 0.000 0.429 278 K N 4.946 125.312 120.400 -0.057 0.000 2.450 278 K HA 0.368 4.688 4.320 -0.000 0.000 0.257 278 K C -2.115 174.546 176.600 0.101 0.000 0.953 278 K CA -0.650 55.644 56.287 0.012 0.000 0.844 278 K CB 0.926 33.447 32.500 0.035 0.000 1.103 278 K HN 0.666 nan 8.250 nan 0.000 0.429 279 Y N 2.394 122.640 120.300 -0.090 0.000 2.441 279 Y HA 0.185 4.734 4.550 -0.000 0.000 0.334 279 Y C -0.975 174.968 175.900 0.071 0.000 1.061 279 Y CA -0.959 57.116 58.100 -0.041 0.000 1.032 279 Y CB 1.124 39.446 38.460 -0.230 0.000 1.266 279 Y HN 0.686 nan 8.280 nan 0.000 0.441 280 H N 4.502 123.410 119.070 -0.270 0.000 3.091 280 H HA 0.284 4.840 4.556 -0.000 0.000 0.289 280 H C 0.921 176.219 175.328 -0.050 0.000 0.995 280 H CA 0.698 56.656 56.048 -0.150 0.000 1.461 280 H CB 1.170 30.823 29.762 -0.181 0.000 1.510 280 H HN 0.863 nan 8.280 nan 0.000 0.546 281 A N 7.159 129.862 122.820 -0.195 0.000 1.917 281 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 281 A C -0.325 177.161 177.584 -0.164 0.000 1.182 281 A CA 1.456 53.422 52.037 -0.118 0.000 0.633 281 A CB -1.276 17.662 19.000 -0.104 0.000 0.819 281 A HN 0.661 nan 8.150 nan 0.000 0.448 282 P HA -0.114 nan 4.420 nan 0.000 0.219 282 P C 1.358 178.619 177.300 -0.064 0.000 1.146 282 P CA 0.743 63.717 63.100 -0.210 0.000 0.808 282 P CB -0.105 31.432 31.700 -0.272 0.000 0.779 283 L N -1.559 119.639 121.223 -0.042 0.000 2.093 283 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 283 L C 2.287 179.273 176.870 0.193 0.000 1.085 283 L CA 1.287 56.175 54.840 0.079 0.000 0.755 283 L CB -0.628 41.414 42.059 -0.029 0.000 0.904 283 L HN -0.020 nan 8.230 nan 0.000 0.435 284 I N -0.789 119.924 120.570 0.238 0.000 2.202 284 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 284 I C 2.492 178.666 176.117 0.095 0.000 1.091 284 I CA 1.455 62.888 61.300 0.221 0.000 1.368 284 I CB -0.514 37.634 38.000 0.246 0.000 1.058 284 I HN 0.232 nan 8.210 nan 0.000 0.410 285 T N 1.604 116.193 114.554 0.058 0.000 2.643 285 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 285 T C 1.940 176.654 174.700 0.024 0.000 1.045 285 T CA 1.265 63.382 62.100 0.027 0.000 1.155 285 T CB -0.429 68.443 68.868 0.006 0.000 0.863 285 T HN 0.225 nan 8.240 nan 0.000 0.420 286 L N 1.103 122.341 121.223 0.025 0.000 2.265 286 L HA -0.019 4.321 4.340 -0.000 0.000 0.215 286 L C 1.840 178.728 176.870 0.030 0.000 1.117 286 L CA 0.872 55.727 54.840 0.025 0.000 0.782 286 L CB -0.459 41.615 42.059 0.026 0.000 0.914 286 L HN 0.272 nan 8.230 nan 0.000 0.441 287 N N -0.385 118.340 118.700 0.042 0.000 2.205 287 N HA 0.011 4.751 4.740 -0.000 0.000 0.201 287 N C -0.063 175.454 175.510 0.012 0.000 1.128 287 N CA 0.057 53.128 53.050 0.035 0.000 0.867 287 N CB 0.573 39.096 38.487 0.059 0.000 0.996 287 N HN 0.194 nan 8.380 nan 0.000 0.503 288 E N 0.326 120.532 120.200 0.010 0.000 2.403 288 E HA -0.175 4.175 4.350 -0.000 0.000 0.241 288 E C -0.445 176.131 176.600 -0.041 0.000 1.201 288 E CA 0.223 56.618 56.400 -0.009 0.000 0.721 288 E CB -1.428 28.266 29.700 -0.011 0.000 1.245 288 E HN 0.055 nan 8.360 nan 0.000 0.392 289 V N 0.548 120.429 119.914 -0.055 0.000 3.051 289 V HA 0.039 4.159 4.120 -0.000 0.000 0.306 289 V C 0.671 176.631 176.094 -0.224 0.000 1.083 289 V CA 0.582 62.783 62.300 -0.166 0.000 1.104 289 V CB 1.480 33.176 31.823 -0.213 0.000 1.027 289 V HN 0.185 nan 8.190 nan 0.000 0.483 290 Q N 2.089 121.678 119.800 -0.353 0.000 2.347 290 Q HA 0.492 4.832 4.340 -0.000 0.000 0.271 290 Q C -1.843 173.871 176.000 -0.475 0.000 1.064 290 Q CA -0.452 55.181 55.803 -0.284 0.000 0.800 290 Q CB 2.626 31.281 28.738 -0.139 0.000 1.304 290 Q HN 0.586 nan 8.270 nan 0.000 0.438 291 F N 2.593 122.513 119.950 -0.049 0.000 2.375 291 F HA 0.495 5.022 4.527 -0.000 0.000 0.361 291 F C -0.229 175.565 175.800 -0.010 0.000 1.117 291 F CA -0.451 57.530 58.000 -0.032 0.000 1.037 291 F CB 0.868 39.803 39.000 -0.108 0.000 1.192 291 F HN 0.295 nan 8.300 nan 0.000 0.452 292 I N 2.816 123.462 120.570 0.127 0.000 2.406 292 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 292 I C 0.529 176.679 176.117 0.055 0.000 0.999 292 I CA -0.739 60.599 61.300 0.063 0.000 1.124 292 I CB 1.733 39.736 38.000 0.005 0.000 1.289 292 I HN 0.644 nan 8.210 nan 0.000 0.441 293 G N 3.147 111.971 108.800 0.040 0.000 2.444 293 G HA2 0.462 4.422 3.960 -0.000 0.000 0.268 293 G HA3 0.462 4.422 3.960 -0.000 0.000 0.268 293 G C -0.743 174.153 174.900 -0.008 0.000 1.203 293 G CA -0.180 44.929 45.100 0.015 0.000 0.835 293 G HN 0.481 nan 8.290 nan 0.000 0.543 294 S N 0.273 115.952 115.700 -0.034 0.000 2.619 294 S HA 0.541 5.011 4.470 -0.000 0.000 0.280 294 S C -1.398 173.147 174.600 -0.091 0.000 1.150 294 S CA -0.567 57.602 58.200 -0.051 0.000 0.978 294 S CB 1.223 64.380 63.200 -0.071 0.000 1.041 294 S HN 0.615 nan 8.310 nan 0.000 0.485 295 L N 7.254 128.423 121.223 -0.089 0.000 2.381 295 L HA 0.653 4.993 4.340 -0.000 0.000 0.274 295 L C 0.752 177.428 176.870 -0.323 0.000 0.988 295 L CA 0.050 54.778 54.840 -0.187 0.000 0.824 295 L CB 1.385 43.384 42.059 -0.099 0.000 1.263 295 L HN 0.837 nan 8.230 nan 0.000 0.410 296 V N 2.562 122.132 119.914 -0.573 0.000 0.690 296 V HA -0.125 3.995 4.120 -0.000 0.000 0.092 296 V C 0.476 176.227 176.094 -0.572 0.000 0.792 296 V CA 0.892 62.710 62.300 -0.804 0.000 3.101 296 V CB -2.142 28.608 31.823 -1.788 0.000 0.197 296 V HN 1.818 nan 8.190 nan 0.000 0.104 297 G N -0.062 108.317 108.800 -0.701 0.000 2.489 297 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 297 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 297 G C -1.162 173.445 174.900 -0.489 0.000 1.487 297 G CA -0.276 44.482 45.100 -0.571 0.000 0.795 297 G HN 1.774 nan 8.290 nan 0.000 0.513 298 N N -0.582 117.938 118.700 -0.300 0.000 2.495 298 N HA 0.264 5.004 4.740 -0.000 0.000 0.294 298 N C 1.081 176.682 175.510 0.152 0.000 1.276 298 N CA -0.629 52.446 53.050 0.042 0.000 0.973 298 N CB 0.599 39.179 38.487 0.156 0.000 1.143 298 N HN 0.372 nan 8.380 nan 0.000 0.589 299 Q N -0.646 119.271 119.800 0.194 0.000 2.170 299 Q HA -0.120 4.219 4.340 -0.000 0.000 0.203 299 Q C 1.575 177.702 176.000 0.212 0.000 0.976 299 Q CA 1.258 57.196 55.803 0.226 0.000 0.858 299 Q CB -0.378 28.456 28.738 0.160 0.000 0.907 299 Q HN 0.745 nan 8.270 nan 0.000 0.433 300 S N 0.700 116.490 115.700 0.151 0.000 2.371 300 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 300 S C 1.366 176.038 174.600 0.121 0.000 1.029 300 S CA 1.064 59.339 58.200 0.124 0.000 0.978 300 S CB 0.034 63.299 63.200 0.109 0.000 0.833 300 S HN 0.283 nan 8.310 nan 0.000 0.466 301 D N 0.430 120.920 120.400 0.149 0.000 2.117 301 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 301 D C 1.608 177.910 176.300 0.004 0.000 0.987 301 D CA 0.978 55.081 54.000 0.173 0.000 0.829 301 D CB -0.482 40.426 40.800 0.181 0.000 0.961 301 D HN 0.479 nan 8.370 nan 0.000 0.460 302 F N 1.601 121.526 119.950 -0.041 0.000 2.134 302 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 302 F C 2.124 177.833 175.800 -0.152 0.000 1.097 302 F CA 0.758 58.719 58.000 -0.066 0.000 1.264 302 F CB -0.401 38.626 39.000 0.045 0.000 1.001 302 F HN -0.116 nan 8.300 nan 0.000 0.479 303 L N 0.623 121.794 121.223 -0.086 0.000 2.046 303 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 303 L C 2.437 179.119 176.870 -0.313 0.000 1.077 303 L CA 2.207 56.960 54.840 -0.145 0.000 0.747 303 L CB -1.597 40.504 42.059 0.070 0.000 0.896 303 L HN 0.212 nan 8.230 nan 0.000 0.432 304 G N -0.369 108.220 108.800 -0.351 0.000 2.453 304 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.215 304 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.215 304 G C 1.593 176.006 174.900 -0.812 0.000 1.201 304 G CA 0.962 45.726 45.100 -0.559 0.000 0.784 304 G HN 0.420 nan 8.290 nan 0.000 0.545 305 I N 0.535 120.501 120.570 -1.006 0.000 2.286 305 I HA -0.062 4.108 4.170 -0.000 0.000 0.248 305 I C 2.498 178.282 176.117 -0.555 0.000 1.115 305 I CA 1.035 61.910 61.300 -0.709 0.000 1.392 305 I CB -0.137 37.581 38.000 -0.470 0.000 1.065 305 I HN 0.046 nan 8.210 nan 0.000 0.418 306 M N -0.429 118.715 119.600 -0.760 0.000 2.175 306 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 306 M C 2.429 178.325 176.300 -0.673 0.000 1.063 306 M CA 1.353 56.091 55.300 -0.938 0.000 1.119 306 M CB -1.544 29.956 32.600 -1.833 0.000 1.377 306 M HN 0.190 nan 8.290 nan 0.000 0.415 307 S N 1.032 116.430 115.700 -0.502 0.000 2.368 307 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 307 S C 1.897 176.402 174.600 -0.159 0.000 1.030 307 S CA 0.990 59.069 58.200 -0.201 0.000 0.999 307 S CB -0.396 62.736 63.200 -0.114 0.000 0.844 307 S HN 0.318 nan 8.310 nan 0.000 0.459 308 L N 1.676 122.778 121.223 -0.201 0.000 2.017 308 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 308 L C 2.374 179.179 176.870 -0.108 0.000 1.073 308 L CA 1.942 56.706 54.840 -0.126 0.000 0.745 308 L CB -0.985 41.002 42.059 -0.121 0.000 0.894 308 L HN 0.263 nan 8.230 nan 0.000 0.432 309 A N -1.357 121.372 122.820 -0.152 0.000 1.873 309 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 309 A C 2.162 179.697 177.584 -0.082 0.000 1.186 309 A CA 1.351 53.321 52.037 -0.112 0.000 0.616 309 A CB -0.591 18.326 19.000 -0.138 0.000 0.823 309 A HN 0.440 nan 8.150 nan 0.000 0.442 310 E N -0.019 120.123 120.200 -0.097 0.000 2.267 310 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 310 E C 1.902 178.496 176.600 -0.010 0.000 0.998 310 E CA 1.032 57.416 56.400 -0.027 0.000 0.830 310 E CB -0.307 29.412 29.700 0.033 0.000 0.751 310 E HN 0.561 nan 8.360 nan 0.000 0.491 311 A N -0.658 122.146 122.820 -0.027 0.000 2.251 311 A HA 0.301 4.621 4.320 -0.000 0.000 0.209 311 A C 1.635 179.210 177.584 -0.015 0.000 1.187 311 A CA 0.985 53.013 52.037 -0.015 0.000 0.823 311 A CB -0.010 18.979 19.000 -0.018 0.000 0.846 311 A HN 0.239 nan 8.150 nan 0.000 0.486 312 G N -0.365 108.422 108.800 -0.022 0.000 2.143 312 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.249 312 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.249 312 G C 0.924 175.813 174.900 -0.018 0.000 0.981 312 G CA 0.648 45.737 45.100 -0.017 0.000 0.665 312 G HN 0.370 nan 8.290 nan 0.000 0.528 313 K N -0.468 119.918 120.400 -0.023 0.000 2.228 313 K HA 0.297 4.617 4.320 -0.000 0.000 0.202 313 K C 1.269 177.859 176.600 -0.018 0.000 1.051 313 K CA 1.547 57.823 56.287 -0.018 0.000 0.960 313 K CB 0.121 32.611 32.500 -0.016 0.000 0.743 313 K HN 1.297 nan 8.250 nan 0.000 0.458 314 V N -2.507 117.393 119.914 -0.025 0.000 3.147 314 V HA 0.620 4.740 4.120 -0.000 0.000 0.306 314 V C -1.300 174.778 176.094 -0.026 0.000 1.209 314 V CA -1.238 61.049 62.300 -0.021 0.000 1.023 314 V CB 2.719 34.531 31.823 -0.019 0.000 1.059 314 V HN 0.015 nan 8.190 nan 0.000 0.435 315 K N 2.443 122.832 120.400 -0.018 0.000 2.565 315 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 315 K C -3.112 173.484 176.600 -0.007 0.000 0.956 315 K CA -1.654 54.623 56.287 -0.015 0.000 0.809 315 K CB 2.785 35.278 32.500 -0.012 0.000 1.267 315 K HN 0.636 nan 8.250 nan 0.000 0.438 316 P HA -0.021 nan 4.420 nan 0.000 0.265 316 P C -0.718 176.587 177.300 0.009 0.000 1.187 316 P CA 0.489 63.593 63.100 0.007 0.000 0.766 316 P CB 0.415 32.121 31.700 0.011 0.000 0.820 317 M N 2.482 122.090 119.600 0.014 0.000 2.589 317 M HA 0.144 4.624 4.480 -0.000 0.000 0.340 317 M C -0.716 175.595 176.300 0.019 0.000 1.308 317 M CA -0.469 54.839 55.300 0.014 0.000 1.332 317 M CB 0.268 32.877 32.600 0.014 0.000 1.219 317 M HN 0.002 nan 8.290 nan 0.000 0.467 318 V N 2.690 122.614 119.914 0.016 0.000 2.405 318 V HA 0.060 4.180 4.120 -0.000 0.000 0.264 318 V C 1.343 177.446 176.094 0.015 0.000 1.048 318 V CA 0.229 62.539 62.300 0.017 0.000 0.966 318 V CB 0.476 32.307 31.823 0.014 0.000 1.015 318 V HN 0.848 nan 8.190 nan 0.000 0.477 319 T N 1.151 115.715 114.554 0.018 0.000 3.060 319 T HA 0.216 4.566 4.350 -0.000 0.000 0.249 319 T C 0.412 175.118 174.700 0.011 0.000 1.079 319 T CA -0.005 62.104 62.100 0.016 0.000 1.013 319 T CB 0.219 69.100 68.868 0.022 0.000 0.975 319 T HN 0.524 nan 8.240 nan 0.000 0.518 320 K N 0.428 120.833 120.400 0.009 0.000 2.569 320 K HA 0.393 4.713 4.320 -0.000 0.000 0.259 320 K C -1.870 174.729 176.600 -0.002 0.000 0.932 320 K CA -0.392 55.897 56.287 0.002 0.000 0.833 320 K CB 2.093 34.593 32.500 0.001 0.000 1.340 320 K HN -0.038 nan 8.250 nan 0.000 0.429 321 T N 5.189 119.739 114.554 -0.007 0.000 2.786 321 T HA 0.515 4.865 4.350 -0.000 0.000 0.283 321 T C -0.304 174.384 174.700 -0.020 0.000 0.992 321 T CA -0.694 61.400 62.100 -0.011 0.000 0.954 321 T CB 0.587 69.451 68.868 -0.008 0.000 0.934 321 T HN 0.559 nan 8.240 nan 0.000 0.440 322 M N 0.973 120.555 119.600 -0.030 0.000 2.719 322 M HA 0.664 5.144 4.480 -0.000 0.000 0.291 322 M C -0.970 175.300 176.300 -0.050 0.000 1.264 322 M CA -1.311 53.965 55.300 -0.040 0.000 0.811 322 M CB 1.734 34.305 32.600 -0.049 0.000 1.756 322 M HN 0.144 nan 8.290 nan 0.000 0.464 323 K N 0.522 120.889 120.400 -0.054 0.000 2.168 323 K HA 0.215 4.535 4.320 -0.000 0.000 0.258 323 K C 0.731 177.280 176.600 -0.085 0.000 1.010 323 K CA -0.544 55.708 56.287 -0.058 0.000 0.929 323 K CB 1.085 33.556 32.500 -0.049 0.000 0.998 323 K HN 0.569 nan 8.250 nan 0.000 0.479 324 L N 2.057 123.231 121.223 -0.080 0.000 2.079 324 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 324 L C 1.436 178.231 176.870 -0.125 0.000 1.081 324 L CA 1.982 56.758 54.840 -0.107 0.000 0.752 324 L CB -0.401 41.621 42.059 -0.062 0.000 0.896 324 L HN 0.598 nan 8.230 nan 0.000 0.433 325 E N 0.125 120.274 120.200 -0.086 0.000 2.333 325 E HA -0.152 4.197 4.350 -0.000 0.000 0.198 325 E C 1.622 178.167 176.600 -0.093 0.000 1.007 325 E CA 0.994 57.347 56.400 -0.077 0.000 0.845 325 E CB -0.193 29.476 29.700 -0.052 0.000 0.766 325 E HN 0.647 nan 8.360 nan 0.000 0.507 326 E N -0.119 120.016 120.200 -0.108 0.000 2.437 326 E HA 0.167 4.517 4.350 -0.000 0.000 0.189 326 E C 1.549 178.058 176.600 -0.151 0.000 1.054 326 E CA 0.237 56.572 56.400 -0.107 0.000 0.874 326 E CB 0.267 29.915 29.700 -0.087 0.000 1.011 326 E HN 0.235 nan 8.360 nan 0.000 0.474 327 A N 2.037 124.726 122.820 -0.218 0.000 1.927 327 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 327 A C 1.940 179.398 177.584 -0.210 0.000 1.185 327 A CA 1.504 53.344 52.037 -0.330 0.000 0.639 327 A CB -0.326 18.385 19.000 -0.482 0.000 0.820 327 A HN 0.207 nan 8.150 nan 0.000 0.451 328 N N -0.512 118.104 118.700 -0.140 0.000 2.309 328 N HA -0.100 4.639 4.740 -0.000 0.000 0.182 328 N C 1.503 176.955 175.510 -0.096 0.000 1.018 328 N CA 1.129 54.119 53.050 -0.100 0.000 0.876 328 N CB -0.190 38.253 38.487 -0.074 0.000 0.972 328 N HN 0.477 nan 8.380 nan 0.000 0.434 329 E N 1.140 121.283 120.200 -0.094 0.000 2.072 329 E HA 0.014 4.364 4.350 -0.000 0.000 0.190 329 E C 1.940 178.489 176.600 -0.085 0.000 0.982 329 E CA 0.438 56.789 56.400 -0.080 0.000 0.803 329 E CB -0.310 29.349 29.700 -0.068 0.000 0.755 329 E HN 0.263 nan 8.360 nan 0.000 0.453 330 A N 1.333 124.095 122.820 -0.097 0.000 1.902 330 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 330 A C 2.334 179.865 177.584 -0.089 0.000 1.181 330 A CA 1.212 53.198 52.037 -0.085 0.000 0.623 330 A CB -0.690 18.249 19.000 -0.100 0.000 0.818 330 A HN 0.185 nan 8.150 nan 0.000 0.443 331 I N -0.204 120.302 120.570 -0.106 0.000 2.315 331 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 331 I C 1.769 177.784 176.117 -0.171 0.000 1.117 331 I CA 1.284 62.508 61.300 -0.126 0.000 1.404 331 I CB -0.483 37.457 38.000 -0.100 0.000 1.071 331 I HN 0.249 nan 8.210 nan 0.000 0.419 332 D N 1.052 121.369 120.400 -0.138 0.000 2.117 332 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 332 D C 1.878 178.089 176.300 -0.148 0.000 0.987 332 D CA 1.101 55.015 54.000 -0.144 0.000 0.829 332 D CB -0.457 40.281 40.800 -0.103 0.000 0.961 332 D HN 0.320 nan 8.370 nan 0.000 0.460 333 N N 0.674 119.310 118.700 -0.107 0.000 2.149 333 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 333 N C 2.120 177.579 175.510 -0.086 0.000 1.019 333 N CA 0.529 53.536 53.050 -0.071 0.000 0.857 333 N CB -0.359 38.107 38.487 -0.035 0.000 0.997 333 N HN 0.301 nan 8.380 nan 0.000 0.426 334 L N 0.899 122.040 121.223 -0.137 0.000 2.072 334 L HA -0.050 4.290 4.340 -0.000 0.000 0.205 334 L C 2.390 179.005 176.870 -0.425 0.000 1.079 334 L CA 0.870 55.612 54.840 -0.163 0.000 0.752 334 L CB -0.418 41.505 42.059 -0.226 0.000 0.906 334 L HN 0.185 nan 8.230 nan 0.000 0.436 335 E N 0.568 120.462 120.200 -0.509 0.000 2.160 335 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 335 E C 1.242 177.463 176.600 -0.631 0.000 0.991 335 E CA 1.040 57.090 56.400 -0.584 0.000 0.810 335 E CB 0.194 29.661 29.700 -0.388 0.000 0.742 335 E HN 0.461 nan 8.360 nan 0.000 0.466 336 N N -0.040 118.417 118.700 -0.405 0.000 2.270 336 N HA -0.007 4.733 4.740 -0.000 0.000 0.198 336 N C -0.579 174.864 175.510 -0.112 0.000 1.117 336 N CA 0.154 53.043 53.050 -0.268 0.000 0.845 336 N CB 0.335 38.755 38.487 -0.112 0.000 0.980 336 N HN 0.067 nan 8.380 nan 0.000 0.486 337 F N 0.246 120.231 119.950 0.059 0.000 3.027 337 F HA -0.232 4.295 4.527 -0.000 0.000 0.276 337 F C 1.044 176.884 175.800 0.066 0.000 0.967 337 F CA 0.268 58.326 58.000 0.097 0.000 0.929 337 F CB -1.655 37.415 39.000 0.117 0.000 0.873 337 F HN -0.007 nan 8.300 nan 0.000 0.787 338 K N -0.644 119.850 120.400 0.157 0.000 2.358 338 K HA 0.591 4.911 4.320 -0.000 0.000 0.200 338 K C 0.923 177.576 176.600 0.089 0.000 1.030 338 K CA 0.891 57.240 56.287 0.104 0.000 1.097 338 K CB 0.711 33.240 32.500 0.048 0.000 0.862 338 K HN 0.323 nan 8.250 nan 0.000 0.534 339 A N 1.177 124.062 122.820 0.108 0.000 2.340 339 A HA 0.625 4.945 4.320 -0.000 0.000 0.331 339 A C -0.168 177.480 177.584 0.106 0.000 1.140 339 A CA -0.677 51.413 52.037 0.087 0.000 0.801 339 A CB 1.224 20.265 19.000 0.069 0.000 1.234 339 A HN -0.039 nan 8.150 nan 0.000 0.469 340 V N -0.075 119.885 119.914 0.077 0.000 2.815 340 V HA 0.946 5.066 4.120 -0.000 0.000 0.314 340 V C 0.748 176.878 176.094 0.060 0.000 1.064 340 V CA 0.221 62.563 62.300 0.070 0.000 0.952 340 V CB 0.544 32.398 31.823 0.052 0.000 1.020 340 V HN 2.735 nan 8.190 nan 0.000 0.439 341 G N 2.613 111.447 108.800 0.057 0.000 2.574 341 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.286 341 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.286 341 G C -0.186 174.750 174.900 0.059 0.000 1.212 341 G CA 0.766 45.895 45.100 0.048 0.000 0.979 341 G HN 1.369 nan 8.290 nan 0.000 0.557 342 R N 0.291 120.820 120.500 0.048 0.000 2.686 342 R HA 0.643 4.983 4.340 -0.000 0.000 0.283 342 R C -0.510 175.812 176.300 0.038 0.000 0.978 342 R CA -0.400 55.731 56.100 0.051 0.000 0.897 342 R CB 1.405 31.735 30.300 0.049 0.000 1.192 342 R HN 0.719 nan 8.270 nan 0.000 0.457 343 Q N 1.608 121.430 119.800 0.037 0.000 2.256 343 Q HA 0.615 4.955 4.340 -0.000 0.000 0.257 343 Q C -0.940 175.072 176.000 0.021 0.000 0.936 343 Q CA -1.026 54.788 55.803 0.020 0.000 0.903 343 Q CB 2.566 31.309 28.738 0.008 0.000 1.263 343 Q HN 0.261 nan 8.270 nan 0.000 0.440 344 V N 3.464 123.385 119.914 0.011 0.000 2.588 344 V HA 0.426 4.546 4.120 -0.000 0.000 0.304 344 V C -0.541 175.551 176.094 -0.004 0.000 1.042 344 V CA -0.778 61.531 62.300 0.016 0.000 0.877 344 V CB 1.706 33.540 31.823 0.018 0.000 0.996 344 V HN 0.627 nan 8.190 nan 0.000 0.425 345 L N 4.377 125.599 121.223 -0.003 0.000 2.325 345 L HA 0.710 5.050 4.340 -0.000 0.000 0.279 345 L C -0.709 176.153 176.870 -0.013 0.000 1.054 345 L CA -0.825 53.994 54.840 -0.035 0.000 0.804 345 L CB 1.762 43.766 42.059 -0.091 0.000 1.200 345 L HN 0.338 nan 8.230 nan 0.000 0.436 346 V N 2.819 122.717 119.914 -0.027 0.000 2.409 346 V HA 0.330 4.450 4.120 -0.000 0.000 0.290 346 V C -2.047 174.025 176.094 -0.036 0.000 1.017 346 V CA -1.384 60.902 62.300 -0.024 0.000 0.841 346 V CB 1.545 33.356 31.823 -0.021 0.000 1.003 346 V HN 0.633 nan 8.190 nan 0.000 0.426 347 P HA 0.000 nan 4.420 nan 0.000 0.216 347 P CA 0.000 63.068 63.100 -0.053 0.000 0.800 347 P CB 0.000 31.655 31.700 -0.075 0.000 0.726