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 3edy_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYSPEPDQRR TLPPGWVSLG RADPEEELSL TFALRQQNVE RLSELVQAVS DATA SEQUENCE DPSSPQYGKY LTLENVADLV RPSPLTLHTV QKWLLAAGAQ KcHSVITQDF DATA SEQUENCE LTcWLSIRQA ELLLPGAEFH HYVGGPTETH VVRSPHPYQL PQALAPHVDF DATA SEQUENCE VGGLHRFPPT SSLRQRPEPQ VTGTVGLHLG VTPSVIRKRY NLTSQDVGSG DATA SEQUENCE TSNNSQACAQ FLEQYFHDSD LAQFMRLFGG NFAHQASVAR VVGQQGRGRA DATA SEQUENCE GIEASLDVQY LMSAGANIST WVYSSPGRHE GQEPFLQWLM LLSNESALPH DATA SEQUENCE VHTVSYGDDE DSLSSAYIQR VNTELMKAAA RGLTLLFASG DSGAGcWSVS DATA SEQUENCE GRHQFRPTFP ASSPYVTTVG GTSFQEPFLI TNEIVDYISG GGFSNVFPRP DATA SEQUENCE SYQEEAVTKF LSSSPHLPPS SYFNASGRAY PDVAALSDGY WVVSNRVPIP DATA SEQUENCE WVSGTSASTP VFGGILSLIN EHRILSGRPP LGFLNPRLYQ QHGAGLFDVT DATA SEQUENCE RGcHEScLDE EVEGQGFcSG PGWDPVTGWG TPNFPALLKT LLNP 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.690 174.600 0.149 0.000 1.055 20 S CA 0.000 58.252 58.200 0.087 0.000 1.107 20 S CB 0.000 63.218 63.200 0.031 0.000 0.593 21 Y N -1.081 119.218 120.300 -0.002 0.000 2.571 21 Y HA 0.828 5.375 4.550 -0.005 0.000 0.341 21 Y C -0.525 175.344 175.900 -0.053 0.000 1.076 21 Y CA -0.673 57.413 58.100 -0.024 0.000 1.029 21 Y CB 1.400 39.845 38.460 -0.026 0.000 1.308 21 Y HN 0.925 nan 8.280 nan 0.000 0.461 22 S N 4.393 120.094 115.700 0.001 0.000 2.448 22 S HA 0.299 4.766 4.470 -0.005 0.000 0.279 22 S C -1.567 173.050 174.600 0.029 0.000 1.195 22 S CA -1.392 56.722 58.200 -0.143 0.000 1.051 22 S CB 0.519 63.655 63.200 -0.107 0.000 0.948 22 S HN 0.658 nan 8.310 nan 0.000 0.493 23 P HA 0.002 nan 4.420 nan 0.000 0.223 23 P C -0.225 177.119 177.300 0.073 0.000 1.151 23 P CA 0.923 64.115 63.100 0.152 0.000 0.787 23 P CB 0.109 31.886 31.700 0.129 0.000 0.788 24 E N -0.170 119.996 120.200 -0.057 0.000 4.129 24 E HA 0.140 4.487 4.350 -0.005 0.000 0.222 24 E C -1.874 174.692 176.600 -0.058 0.000 1.179 24 E CA -1.379 55.013 56.400 -0.013 0.000 1.334 24 E CB 0.765 30.511 29.700 0.077 0.000 1.202 24 E HN 0.259 nan 8.360 nan 0.000 0.428 25 P HA -0.181 nan 4.420 nan 0.000 0.221 25 P C 0.511 177.776 177.300 -0.058 0.000 1.145 25 P CA 1.383 64.451 63.100 -0.054 0.000 0.795 25 P CB 0.257 31.941 31.700 -0.027 0.000 0.775 26 D N -1.979 118.391 120.400 -0.050 0.000 2.431 26 D HA 0.040 4.677 4.640 -0.005 0.000 0.213 26 D C 0.568 176.826 176.300 -0.071 0.000 1.130 26 D CA -0.165 53.805 54.000 -0.051 0.000 0.834 26 D CB -0.512 40.267 40.800 -0.036 0.000 0.985 26 D HN 0.077 nan 8.370 nan 0.000 0.504 27 Q N 2.077 121.825 119.800 -0.086 0.000 2.293 27 Q HA 0.118 4.455 4.340 -0.005 0.000 0.263 27 Q C -0.099 175.806 176.000 -0.158 0.000 1.002 27 Q CA -0.366 55.370 55.803 -0.113 0.000 0.910 27 Q CB 0.783 29.477 28.738 -0.074 0.000 1.185 27 Q HN 0.091 nan 8.270 nan 0.000 0.401 28 R N 3.667 124.085 120.500 -0.137 0.000 2.585 28 R HA 0.033 4.370 4.340 -0.005 0.000 0.275 28 R C -0.147 176.058 176.300 -0.159 0.000 1.018 28 R CA 0.540 56.559 56.100 -0.135 0.000 1.072 28 R CB 0.451 30.677 30.300 -0.122 0.000 0.953 28 R HN 0.783 nan 8.270 nan 0.000 0.419 29 R N 1.474 121.875 120.500 -0.165 0.000 2.565 29 R HA 0.070 4.408 4.340 -0.005 0.000 0.347 29 R C -0.113 176.118 176.300 -0.115 0.000 1.010 29 R CA 0.045 56.051 56.100 -0.157 0.000 1.126 29 R CB 1.006 31.165 30.300 -0.234 0.000 1.331 29 R HN 0.706 nan 8.270 nan 0.000 0.552 30 T N -0.708 113.764 114.554 -0.137 0.000 2.913 30 T HA 0.200 4.547 4.350 -0.005 0.000 0.297 30 T C 0.202 174.732 174.700 -0.283 0.000 1.029 30 T CA -0.654 61.353 62.100 -0.155 0.000 1.104 30 T CB 1.203 69.998 68.868 -0.121 0.000 0.964 30 T HN -0.035 nan 8.240 nan 0.000 0.532 31 L N 4.981 126.030 121.223 -0.290 0.000 2.369 31 L HA 0.404 4.741 4.340 -0.005 0.000 0.279 31 L C -2.201 174.417 176.870 -0.420 0.000 1.108 31 L CA -1.602 52.949 54.840 -0.481 0.000 0.852 31 L CB -0.181 41.739 42.059 -0.232 0.000 1.169 31 L HN 0.579 nan 8.230 nan 0.000 0.452 32 P HA 0.297 nan 4.420 nan 0.000 0.274 32 P C -2.643 174.649 177.300 -0.014 0.000 1.246 32 P CA -1.302 61.624 63.100 -0.291 0.000 0.795 32 P CB -0.272 31.217 31.700 -0.351 0.000 1.006 33 P HA 0.114 nan 4.420 nan 0.000 0.265 33 P C 0.831 178.189 177.300 0.097 0.000 1.193 33 P CA 1.024 64.154 63.100 0.051 0.000 0.765 33 P CB 0.027 31.738 31.700 0.019 0.000 0.823 34 G N 0.247 109.070 108.800 0.040 0.000 2.159 34 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.256 34 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.256 34 G C -0.571 174.235 174.900 -0.157 0.000 0.977 34 G CA -0.595 44.469 45.100 -0.060 0.000 0.652 34 G HN 0.376 nan 8.290 nan 0.000 0.531 35 W N -0.806 120.456 121.300 -0.062 0.000 2.570 35 W HA 0.680 5.338 4.660 -0.005 0.000 0.337 35 W C 0.063 176.607 176.519 0.041 0.000 1.067 35 W CA -0.885 56.448 57.345 -0.021 0.000 1.229 35 W CB 1.915 31.290 29.460 -0.142 0.000 1.355 35 W HN 0.152 nan 8.180 nan 0.000 0.555 36 V N 1.968 122.097 119.914 0.358 0.000 2.656 36 V HA 0.345 4.462 4.120 -0.005 0.000 0.307 36 V C -0.263 176.062 176.094 0.386 0.000 1.051 36 V CA -1.149 61.321 62.300 0.283 0.000 0.893 36 V CB 1.757 33.671 31.823 0.152 0.000 0.999 36 V HN 0.463 nan 8.190 nan 0.000 0.426 37 S N 3.397 119.282 115.700 0.309 0.000 2.474 37 S HA 0.470 4.937 4.470 -0.005 0.000 0.276 37 S C 0.732 175.370 174.600 0.064 0.000 1.227 37 S CA -0.419 57.851 58.200 0.118 0.000 1.050 37 S CB 0.354 63.605 63.200 0.086 0.000 0.939 37 S HN 0.634 nan 8.310 nan 0.000 0.490 38 L N 4.429 125.673 121.223 0.035 0.000 2.470 38 L HA 0.435 4.772 4.340 -0.005 0.000 0.219 38 L C 1.186 178.118 176.870 0.103 0.000 1.071 38 L CA 0.267 55.168 54.840 0.103 0.000 0.850 38 L CB 0.082 42.236 42.059 0.159 0.000 1.040 38 L HN 0.812 nan 8.230 nan 0.000 0.475 39 G N -0.331 108.532 108.800 0.105 0.000 2.340 39 G HA2 0.213 4.170 3.960 -0.005 0.000 0.298 39 G HA3 0.213 4.170 3.960 -0.005 0.000 0.298 39 G C -1.700 173.226 174.900 0.044 0.000 1.498 39 G CA -0.932 44.236 45.100 0.114 0.000 0.847 39 G HN -0.113 nan 8.290 nan 0.000 0.594 40 R N 0.492 120.944 120.500 -0.079 0.000 2.489 40 R HA 0.581 4.918 4.340 -0.005 0.000 0.287 40 R C 0.880 177.060 176.300 -0.201 0.000 1.053 40 R CA 0.665 56.532 56.100 -0.389 0.000 1.036 40 R CB 0.389 30.519 30.300 -0.283 0.000 0.966 40 R HN 1.274 nan 8.270 nan 0.000 0.432 41 A N 4.413 127.035 122.820 -0.330 0.000 2.511 41 A HA 0.021 4.338 4.320 -0.005 0.000 0.242 41 A C -0.102 177.456 177.584 -0.043 0.000 1.069 41 A CA -0.059 51.842 52.037 -0.228 0.000 0.763 41 A CB 0.011 18.797 19.000 -0.356 0.000 1.001 41 A HN 0.867 nan 8.150 nan 0.000 0.498 42 D N 2.776 123.209 120.400 0.056 0.000 2.455 42 D HA 0.088 4.725 4.640 -0.005 0.000 0.241 42 D C -1.440 174.869 176.300 0.016 0.000 1.138 42 D CA -1.219 52.801 54.000 0.034 0.000 0.877 42 D CB 1.028 41.858 40.800 0.050 0.000 1.187 42 D HN 0.192 nan 8.370 nan 0.000 0.451 43 P HA -0.123 nan 4.420 nan 0.000 0.218 43 P C 0.518 177.823 177.300 0.008 0.000 1.146 43 P CA 1.039 64.146 63.100 0.012 0.000 0.813 43 P CB 0.311 32.020 31.700 0.014 0.000 0.778 44 E N -0.784 119.421 120.200 0.009 0.000 2.474 44 E HA 0.067 4.415 4.350 -0.005 0.000 0.195 44 E C 0.368 176.971 176.600 0.005 0.000 1.039 44 E CA 0.119 56.521 56.400 0.004 0.000 0.881 44 E CB -0.042 29.659 29.700 0.000 0.000 0.970 44 E HN 0.493 nan 8.360 nan 0.000 0.486 45 E N 1.471 121.681 120.200 0.017 0.000 2.404 45 E HA 0.037 4.384 4.350 -0.005 0.000 0.261 45 E C 0.064 176.682 176.600 0.029 0.000 1.074 45 E CA 0.261 56.679 56.400 0.031 0.000 0.917 45 E CB 0.717 30.459 29.700 0.070 0.000 0.965 45 E HN -0.043 nan 8.360 nan 0.000 0.433 46 E N 2.026 122.263 120.200 0.061 0.000 2.204 46 E HA 0.409 4.756 4.350 -0.005 0.000 0.276 46 E C -0.417 176.354 176.600 0.286 0.000 0.974 46 E CA -0.474 56.015 56.400 0.148 0.000 0.815 46 E CB 1.471 31.221 29.700 0.082 0.000 1.119 46 E HN 0.379 nan 8.360 nan 0.000 0.393 47 L N -1.289 120.089 121.223 0.259 0.000 2.409 47 L HA 0.698 5.035 4.340 -0.005 0.000 0.255 47 L C -0.613 176.168 176.870 -0.147 0.000 1.027 47 L CA -0.819 54.084 54.840 0.106 0.000 0.834 47 L CB 2.354 44.313 42.059 -0.168 0.000 1.426 47 L HN 0.332 nan 8.230 nan 0.000 0.411 48 S N 1.903 117.283 115.700 -0.534 0.000 2.566 48 S HA 0.671 5.138 4.470 -0.005 0.000 0.324 48 S C -0.863 173.473 174.600 -0.440 0.000 1.081 48 S CA -0.598 57.116 58.200 -0.810 0.000 1.105 48 S CB 0.355 62.667 63.200 -1.480 0.000 0.981 48 S HN 0.590 nan 8.310 nan 0.000 0.464 49 L N 4.226 125.262 121.223 -0.313 0.000 2.307 49 L HA 0.488 4.825 4.340 -0.005 0.000 0.284 49 L C 0.110 176.808 176.870 -0.288 0.000 1.023 49 L CA -0.705 53.944 54.840 -0.320 0.000 0.810 49 L CB 2.075 43.898 42.059 -0.393 0.000 1.231 49 L HN 0.502 nan 8.230 nan 0.000 0.423 50 T N 3.001 117.384 114.554 -0.286 0.000 2.744 50 T HA 0.445 4.792 4.350 -0.005 0.000 0.291 50 T C -0.462 174.110 174.700 -0.214 0.000 0.957 50 T CA -0.078 61.946 62.100 -0.126 0.000 1.002 50 T CB 0.093 68.922 68.868 -0.064 0.000 0.919 50 T HN 0.111 nan 8.240 nan 0.000 0.468 51 F N 2.313 122.288 119.950 0.042 0.000 2.385 51 F HA 0.526 5.051 4.527 -0.005 0.000 0.360 51 F C 0.756 176.540 175.800 -0.027 0.000 1.122 51 F CA -1.076 56.938 58.000 0.024 0.000 1.090 51 F CB 0.857 39.910 39.000 0.088 0.000 1.150 51 F HN 0.566 nan 8.300 nan 0.000 0.472 52 A N 6.325 129.069 122.820 -0.126 0.000 2.350 52 A HA 0.582 4.900 4.320 -0.005 0.000 0.293 52 A C -0.273 177.169 177.584 -0.238 0.000 1.231 52 A CA -0.446 51.382 52.037 -0.349 0.000 0.883 52 A CB -0.245 18.278 19.000 -0.795 0.000 1.133 52 A HN 0.795 nan 8.150 nan 0.000 0.533 53 L N 1.503 122.581 121.223 -0.241 0.000 2.379 53 L HA 0.518 4.855 4.340 -0.005 0.000 0.269 53 L C 0.829 177.616 176.870 -0.138 0.000 1.084 53 L CA -1.172 53.600 54.840 -0.113 0.000 0.802 53 L CB 0.635 42.648 42.059 -0.076 0.000 1.175 53 L HN 0.715 nan 8.230 nan 0.000 0.448 54 R N 1.887 122.352 120.500 -0.059 0.000 2.404 54 R HA 0.092 4.429 4.340 -0.005 0.000 0.315 54 R C -0.512 175.741 176.300 -0.078 0.000 1.032 54 R CA 0.330 56.393 56.100 -0.061 0.000 0.992 54 R CB 0.070 30.342 30.300 -0.046 0.000 0.959 54 R HN 0.508 nan 8.270 nan 0.000 0.428 55 Q N 2.624 122.368 119.800 -0.093 0.000 2.317 55 Q HA 0.237 4.575 4.340 -0.005 0.000 0.229 55 Q C -0.323 175.640 176.000 -0.062 0.000 0.984 55 Q CA -0.380 55.370 55.803 -0.090 0.000 0.911 55 Q CB 1.218 29.894 28.738 -0.103 0.000 1.217 55 Q HN 0.579 nan 8.270 nan 0.000 0.501 56 Q N 0.338 120.105 119.800 -0.055 0.000 2.297 56 Q HA 0.328 4.665 4.340 -0.005 0.000 0.268 56 Q C -0.726 175.252 176.000 -0.036 0.000 1.045 56 Q CA -0.604 55.175 55.803 -0.041 0.000 0.861 56 Q CB 1.335 30.051 28.738 -0.036 0.000 1.344 56 Q HN 0.665 nan 8.270 nan 0.000 0.452 57 N N -0.807 117.877 118.700 -0.027 0.000 2.776 57 N HA -0.195 4.542 4.740 -0.005 0.000 0.249 57 N C 0.365 175.863 175.510 -0.020 0.000 1.111 57 N CA 0.121 53.159 53.050 -0.020 0.000 0.711 57 N CB -1.084 37.391 38.487 -0.019 0.000 1.065 57 N HN 0.275 nan 8.380 nan 0.000 0.556 58 V N 0.043 119.943 119.914 -0.022 0.000 2.453 58 V HA -0.224 3.893 4.120 -0.005 0.000 0.247 58 V C 2.325 178.414 176.094 -0.008 0.000 1.048 58 V CA 2.405 64.691 62.300 -0.024 0.000 1.049 58 V CB -0.240 31.570 31.823 -0.021 0.000 0.672 58 V HN 0.479 nan 8.190 nan 0.000 0.457 59 E N 1.050 121.253 120.200 0.005 0.000 2.077 59 E HA -0.279 4.068 4.350 -0.005 0.000 0.193 59 E C 2.214 178.828 176.600 0.022 0.000 0.989 59 E CA 1.673 58.086 56.400 0.021 0.000 0.800 59 E CB -0.298 29.415 29.700 0.020 0.000 0.746 59 E HN 0.397 nan 8.360 nan 0.000 0.452 60 R N 0.216 120.724 120.500 0.012 0.000 2.081 60 R HA -0.102 4.235 4.340 -0.005 0.000 0.235 60 R C 2.264 178.572 176.300 0.014 0.000 1.131 60 R CA 1.479 57.588 56.100 0.014 0.000 0.960 60 R CB -1.029 29.275 30.300 0.006 0.000 0.856 60 R HN 0.410 nan 8.270 nan 0.000 0.436 61 L N 0.568 121.790 121.223 -0.002 0.000 2.042 61 L HA -0.172 4.165 4.340 -0.005 0.000 0.210 61 L C 2.178 179.044 176.870 -0.007 0.000 1.076 61 L CA 2.516 57.346 54.840 -0.017 0.000 0.749 61 L CB -0.991 41.037 42.059 -0.052 0.000 0.893 61 L HN 0.458 nan 8.230 nan 0.000 0.432 62 S N -1.341 114.365 115.700 0.009 0.000 2.399 62 S HA -0.214 4.253 4.470 -0.005 0.000 0.231 62 S C 1.766 176.434 174.600 0.113 0.000 1.022 62 S CA 1.247 59.490 58.200 0.071 0.000 0.983 62 S CB -0.736 62.535 63.200 0.119 0.000 0.803 62 S HN 0.679 nan 8.310 nan 0.000 0.480 63 E N 1.301 121.550 120.200 0.081 0.000 2.072 63 E HA -0.018 4.330 4.350 -0.005 0.000 0.191 63 E C 2.120 178.773 176.600 0.088 0.000 0.985 63 E CA 1.319 57.769 56.400 0.083 0.000 0.801 63 E CB -0.390 29.345 29.700 0.058 0.000 0.750 63 E HN 0.512 nan 8.360 nan 0.000 0.452 64 L N 0.604 121.870 121.223 0.071 0.000 2.093 64 L HA -0.158 4.179 4.340 -0.005 0.000 0.208 64 L C 2.448 179.384 176.870 0.110 0.000 1.085 64 L CA 0.597 55.481 54.840 0.073 0.000 0.755 64 L CB -0.317 41.772 42.059 0.049 0.000 0.904 64 L HN 0.052 nan 8.230 nan 0.000 0.435 65 V N -0.333 119.654 119.914 0.121 0.000 2.343 65 V HA -0.308 3.809 4.120 -0.005 0.000 0.247 65 V C 2.469 178.724 176.094 0.268 0.000 1.051 65 V CA 1.907 64.321 62.300 0.191 0.000 1.036 65 V CB -0.532 31.385 31.823 0.157 0.000 0.654 65 V HN 0.462 nan 8.190 nan 0.000 0.451 66 Q N 0.969 120.914 119.800 0.242 0.000 2.096 66 Q HA -0.196 4.142 4.340 -0.005 0.000 0.204 66 Q C 2.042 178.153 176.000 0.184 0.000 0.982 66 Q CA 2.518 58.459 55.803 0.229 0.000 0.850 66 Q CB -0.598 28.247 28.738 0.177 0.000 0.901 66 Q HN 0.590 nan 8.270 nan 0.000 0.422 67 A N -0.160 122.750 122.820 0.150 0.000 1.854 67 A HA -0.074 4.243 4.320 -0.005 0.000 0.214 67 A C 2.171 179.842 177.584 0.146 0.000 1.192 67 A CA 1.845 53.956 52.037 0.123 0.000 0.611 67 A CB -1.075 17.977 19.000 0.087 0.000 0.832 67 A HN 0.595 nan 8.150 nan 0.000 0.442 68 V N -1.201 118.803 119.914 0.150 0.000 2.970 68 V HA -0.065 4.052 4.120 -0.005 0.000 0.260 68 V C 1.902 178.121 176.094 0.208 0.000 1.100 68 V CA 2.174 64.542 62.300 0.114 0.000 1.122 68 V CB -0.741 31.162 31.823 0.132 0.000 0.721 68 V HN 0.675 nan 8.190 nan 0.000 0.483 69 S N -0.774 115.108 115.700 0.304 0.000 2.524 69 S HA 0.132 4.599 4.470 -0.005 0.000 0.215 69 S C 0.648 175.432 174.600 0.307 0.000 0.986 69 S CA 0.268 58.671 58.200 0.339 0.000 0.911 69 S CB -0.198 63.202 63.200 0.333 0.000 0.805 69 S HN 0.620 nan 8.310 nan 0.000 0.501 70 D N 3.472 124.025 120.400 0.254 0.000 2.316 70 D HA 0.302 4.939 4.640 -0.005 0.000 0.245 70 D C -1.600 174.698 176.300 -0.005 0.000 1.171 70 D CA -2.409 51.648 54.000 0.095 0.000 0.856 70 D CB 1.709 42.556 40.800 0.078 0.000 1.090 70 D HN 0.039 nan 8.370 nan 0.000 0.476 71 P HA -0.039 nan 4.420 nan 0.000 0.230 71 P C 0.646 177.730 177.300 -0.359 0.000 1.158 71 P CA 0.385 63.019 63.100 -0.777 0.000 0.769 71 P CB 0.409 31.694 31.700 -0.692 0.000 0.807 72 S N -1.009 114.588 115.700 -0.171 0.000 2.528 72 S HA 0.035 4.502 4.470 -0.005 0.000 0.219 72 S C 1.101 175.679 174.600 -0.036 0.000 0.985 72 S CA -0.054 58.091 58.200 -0.091 0.000 0.914 72 S CB -0.256 62.909 63.200 -0.058 0.000 0.776 72 S HN 0.188 nan 8.310 nan 0.000 0.526 73 S N 1.895 117.594 115.700 -0.002 0.000 2.562 73 S HA 0.279 4.746 4.470 -0.005 0.000 0.275 73 S C -1.994 172.639 174.600 0.055 0.000 1.281 73 S CA -1.652 56.573 58.200 0.041 0.000 1.045 73 S CB 0.931 64.176 63.200 0.076 0.000 0.962 73 S HN -0.051 nan 8.310 nan 0.000 0.503 74 P HA -0.037 nan 4.420 nan 0.000 0.223 74 P C 0.841 178.164 177.300 0.038 0.000 1.144 74 P CA 0.891 64.011 63.100 0.033 0.000 0.783 74 P CB 0.153 31.864 31.700 0.019 0.000 0.771 75 Q N -2.406 117.422 119.800 0.047 0.000 2.360 75 Q HA 0.016 4.353 4.340 -0.005 0.000 0.202 75 Q C 0.162 176.162 176.000 0.000 0.000 0.915 75 Q CA -0.294 55.519 55.803 0.017 0.000 0.943 75 Q CB -0.266 28.486 28.738 0.024 0.000 1.064 75 Q HN 0.346 nan 8.270 nan 0.000 0.511 76 Y N 1.209 121.464 120.300 -0.075 0.000 2.805 76 Y HA 0.091 4.638 4.550 -0.005 0.000 0.331 76 Y C 1.378 177.143 175.900 -0.225 0.000 1.241 76 Y CA 1.740 59.778 58.100 -0.103 0.000 1.546 76 Y CB 0.147 38.568 38.460 -0.064 0.000 1.248 76 Y HN 0.426 nan 8.280 nan 0.000 0.559 77 G N 4.494 112.672 108.800 -1.037 0.000 2.199 77 G HA2 -0.305 3.652 3.960 -0.005 0.000 0.254 77 G HA3 -0.305 3.652 3.960 -0.005 0.000 0.254 77 G C 0.360 174.524 174.900 -1.227 0.000 0.982 77 G CA 0.224 44.481 45.100 -1.404 0.000 0.632 77 G HN 0.601 nan 8.290 nan 0.000 0.529 78 K N 1.244 121.228 120.400 -0.694 0.000 2.502 78 K HA 0.354 4.671 4.320 -0.005 0.000 0.244 78 K C -0.269 176.176 176.600 -0.260 0.000 1.249 78 K CA -0.294 55.769 56.287 -0.373 0.000 1.193 78 K CB -0.035 32.359 32.500 -0.177 0.000 1.674 78 K HN 0.393 nan 8.250 nan 0.000 0.302 79 Y N 0.513 120.780 120.300 -0.054 0.000 2.326 79 Y HA 0.061 4.608 4.550 -0.005 0.000 0.333 79 Y C 0.791 176.680 175.900 -0.018 0.000 1.240 79 Y CA -0.965 57.114 58.100 -0.035 0.000 1.365 79 Y CB 0.221 38.659 38.460 -0.037 0.000 1.289 79 Y HN 0.151 nan 8.280 nan 0.000 0.548 80 L N 1.723 123.045 121.223 0.164 0.000 2.426 80 L HA 0.168 4.505 4.340 -0.005 0.000 0.271 80 L C 0.891 177.805 176.870 0.074 0.000 1.169 80 L CA -0.181 54.709 54.840 0.083 0.000 0.836 80 L CB 0.071 42.160 42.059 0.050 0.000 1.112 80 L HN 0.816 nan 8.230 nan 0.000 0.465 81 T N -0.225 114.359 114.554 0.051 0.000 2.856 81 T HA 0.101 4.448 4.350 -0.005 0.000 0.306 81 T C 1.205 175.915 174.700 0.018 0.000 1.062 81 T CA -0.551 61.571 62.100 0.036 0.000 1.083 81 T CB 0.448 69.334 68.868 0.031 0.000 0.984 81 T HN 0.485 nan 8.240 nan 0.000 0.542 82 L N 1.172 122.401 121.223 0.009 0.000 2.081 82 L HA -0.095 4.243 4.340 -0.005 0.000 0.212 82 L C 2.725 179.595 176.870 0.001 0.000 1.080 82 L CA 2.404 57.242 54.840 -0.003 0.000 0.754 82 L CB -1.270 40.787 42.059 -0.004 0.000 0.893 82 L HN 1.000 nan 8.230 nan 0.000 0.433 83 E N -1.040 119.165 120.200 0.008 0.000 2.058 83 E HA -0.286 4.061 4.350 -0.005 0.000 0.194 83 E C 1.697 178.300 176.600 0.005 0.000 0.997 83 E CA 1.592 57.996 56.400 0.008 0.000 0.801 83 E CB -0.468 29.239 29.700 0.012 0.000 0.746 83 E HN 0.544 nan 8.360 nan 0.000 0.450 84 N N 0.933 119.638 118.700 0.008 0.000 2.069 84 N HA -0.148 4.589 4.740 -0.005 0.000 0.191 84 N C 2.091 177.601 175.510 -0.000 0.000 1.031 84 N CA 1.669 54.724 53.050 0.007 0.000 0.852 84 N CB -0.621 37.875 38.487 0.016 0.000 1.018 84 N HN 0.115 nan 8.380 nan 0.000 0.423 85 V N 1.527 121.439 119.914 -0.004 0.000 2.343 85 V HA -0.193 3.924 4.120 -0.005 0.000 0.247 85 V C 2.426 178.507 176.094 -0.021 0.000 1.051 85 V CA 1.790 64.080 62.300 -0.017 0.000 1.036 85 V CB -1.018 30.789 31.823 -0.027 0.000 0.654 85 V HN 0.324 nan 8.190 nan 0.000 0.451 86 A N -0.173 122.638 122.820 -0.016 0.000 1.902 86 A HA -0.259 4.059 4.320 -0.005 0.000 0.217 86 A C 1.983 179.556 177.584 -0.017 0.000 1.181 86 A CA 2.010 54.037 52.037 -0.017 0.000 0.623 86 A CB -0.661 18.334 19.000 -0.008 0.000 0.818 86 A HN 0.524 nan 8.150 nan 0.000 0.443 87 D N -0.738 119.655 120.400 -0.011 0.000 2.218 87 D HA -0.102 4.535 4.640 -0.005 0.000 0.204 87 D C 1.714 178.005 176.300 -0.014 0.000 0.976 87 D CA 0.928 54.922 54.000 -0.010 0.000 0.853 87 D CB -0.146 40.652 40.800 -0.004 0.000 0.939 87 D HN 0.368 nan 8.370 nan 0.000 0.481 88 L N 0.149 121.362 121.223 -0.017 0.000 2.102 88 L HA -0.060 4.278 4.340 -0.005 0.000 0.202 88 L C 2.078 178.931 176.870 -0.028 0.000 1.076 88 L CA 1.147 55.976 54.840 -0.019 0.000 0.761 88 L CB -0.114 41.935 42.059 -0.018 0.000 0.921 88 L HN 0.036 nan 8.230 nan 0.000 0.444 89 V N -2.351 117.540 119.914 -0.037 0.000 3.621 89 V HA 0.232 4.349 4.120 -0.005 0.000 0.263 89 V C 1.154 177.213 176.094 -0.060 0.000 1.272 89 V CA -0.098 62.172 62.300 -0.050 0.000 1.080 89 V CB -0.902 30.884 31.823 -0.061 0.000 0.816 89 V HN 0.480 nan 8.190 nan 0.000 0.451 90 R N 1.747 122.217 120.500 -0.051 0.000 2.638 90 R HA 0.202 4.539 4.340 -0.005 0.000 0.268 90 R C -2.537 173.728 176.300 -0.059 0.000 1.006 90 R CA -0.700 55.367 56.100 -0.055 0.000 1.088 90 R CB -1.038 29.239 30.300 -0.039 0.000 0.950 90 R HN 0.214 nan 8.270 nan 0.000 0.419 91 P HA -0.043 nan 4.420 nan 0.000 0.270 91 P C -0.509 176.754 177.300 -0.061 0.000 1.227 91 P CA -0.109 62.955 63.100 -0.060 0.000 0.788 91 P CB 0.662 32.327 31.700 -0.059 0.000 0.926 92 S N 1.547 117.216 115.700 -0.051 0.000 2.584 92 S HA 0.159 4.626 4.470 -0.005 0.000 0.270 92 S C -1.684 172.836 174.600 -0.132 0.000 1.346 92 S CA -0.695 57.466 58.200 -0.066 0.000 1.018 92 S CB -0.310 62.870 63.200 -0.033 0.000 0.899 92 S HN 0.266 nan 8.310 nan 0.000 0.542 93 P HA -0.145 nan 4.420 nan 0.000 0.216 93 P C 1.624 178.641 177.300 -0.472 0.000 1.154 93 P CA 0.636 63.485 63.100 -0.418 0.000 0.865 93 P CB -0.057 31.476 31.700 -0.278 0.000 0.789 94 L N -0.930 120.182 121.223 -0.185 0.000 2.017 94 L HA -0.138 4.199 4.340 -0.005 0.000 0.208 94 L C 2.084 178.873 176.870 -0.136 0.000 1.073 94 L CA 2.227 57.011 54.840 -0.094 0.000 0.745 94 L CB -1.672 40.395 42.059 0.012 0.000 0.894 94 L HN -0.049 nan 8.230 nan 0.000 0.432 95 T N -0.082 114.440 114.554 -0.054 0.000 2.708 95 T HA -0.172 4.175 4.350 -0.005 0.000 0.266 95 T C 1.969 176.614 174.700 -0.092 0.000 1.037 95 T CA 1.905 64.001 62.100 -0.006 0.000 1.146 95 T CB -0.336 68.597 68.868 0.108 0.000 0.865 95 T HN 0.303 nan 8.240 nan 0.000 0.435 96 L N -0.103 121.047 121.223 -0.121 0.000 2.046 96 L HA -0.140 4.197 4.340 -0.005 0.000 0.208 96 L C 2.501 179.382 176.870 0.018 0.000 1.077 96 L CA 1.671 56.465 54.840 -0.077 0.000 0.747 96 L CB -0.656 41.332 42.059 -0.119 0.000 0.896 96 L HN 0.481 nan 8.230 nan 0.000 0.432 97 H N -1.397 117.642 119.070 -0.053 0.000 2.395 97 H HA -0.097 4.456 4.556 -0.005 0.000 0.299 97 H C 2.297 177.584 175.328 -0.069 0.000 1.070 97 H CA 1.245 57.263 56.048 -0.050 0.000 1.356 97 H CB 0.150 29.885 29.762 -0.045 0.000 1.401 97 H HN 0.269 nan 8.280 nan 0.000 0.524 98 T N 0.293 114.836 114.554 -0.019 0.000 2.777 98 T HA -0.116 4.232 4.350 -0.005 0.000 0.266 98 T C 2.290 176.964 174.700 -0.044 0.000 1.040 98 T CA 1.135 63.158 62.100 -0.129 0.000 1.141 98 T CB -0.286 68.312 68.868 -0.450 0.000 0.868 98 T HN 0.080 nan 8.240 nan 0.000 0.444 99 V N 1.450 121.346 119.914 -0.030 0.000 2.379 99 V HA -0.178 3.939 4.120 -0.005 0.000 0.245 99 V C 2.602 178.767 176.094 0.118 0.000 1.044 99 V CA 1.545 63.906 62.300 0.102 0.000 1.036 99 V CB -0.730 31.133 31.823 0.066 0.000 0.664 99 V HN 0.458 nan 8.190 nan 0.000 0.453 100 Q N 0.039 119.872 119.800 0.055 0.000 2.030 100 Q HA -0.248 4.089 4.340 -0.005 0.000 0.204 100 Q C 2.373 178.387 176.000 0.023 0.000 0.986 100 Q CA 1.857 57.675 55.803 0.024 0.000 0.843 100 Q CB -0.266 28.498 28.738 0.042 0.000 0.904 100 Q HN 0.572 nan 8.270 nan 0.000 0.420 101 K N -0.351 120.078 120.400 0.049 0.000 2.063 101 K HA -0.223 4.095 4.320 -0.005 0.000 0.208 101 K C 1.727 178.384 176.600 0.094 0.000 1.048 101 K CA 1.511 57.827 56.287 0.047 0.000 0.928 101 K CB -0.314 32.211 32.500 0.042 0.000 0.713 101 K HN 0.314 nan 8.250 nan 0.000 0.442 102 W N 1.720 122.969 121.300 -0.085 0.000 2.355 102 W HA -0.143 4.514 4.660 -0.005 0.000 0.309 102 W C 1.449 177.905 176.519 -0.105 0.000 1.206 102 W CA 1.245 58.539 57.345 -0.085 0.000 1.284 102 W CB -0.351 29.052 29.460 -0.095 0.000 1.145 102 W HN -0.073 nan 8.180 nan 0.000 0.502 103 L N 0.041 121.130 121.223 -0.222 0.000 2.072 103 L HA -0.168 4.169 4.340 -0.005 0.000 0.205 103 L C 2.489 179.207 176.870 -0.254 0.000 1.079 103 L CA 1.019 55.593 54.840 -0.444 0.000 0.752 103 L CB -1.242 40.562 42.059 -0.426 0.000 0.906 103 L HN 0.081 nan 8.230 nan 0.000 0.436 104 L N 0.434 121.574 121.223 -0.138 0.000 2.017 104 L HA -0.163 4.174 4.340 -0.005 0.000 0.208 104 L C 2.663 179.481 176.870 -0.088 0.000 1.073 104 L CA 2.020 56.805 54.840 -0.091 0.000 0.745 104 L CB -0.720 41.307 42.059 -0.053 0.000 0.894 104 L HN 0.149 nan 8.230 nan 0.000 0.432 105 A N -0.331 122.443 122.820 -0.078 0.000 1.917 105 A HA -0.177 4.140 4.320 -0.005 0.000 0.219 105 A C 2.360 179.889 177.584 -0.091 0.000 1.182 105 A CA 2.007 54.008 52.037 -0.060 0.000 0.633 105 A CB -1.230 17.759 19.000 -0.018 0.000 0.819 105 A HN 0.610 nan 8.150 nan 0.000 0.448 106 A N -2.303 120.413 122.820 -0.173 0.000 2.206 106 A HA 0.401 4.718 4.320 -0.005 0.000 0.211 106 A C 1.730 179.237 177.584 -0.128 0.000 1.158 106 A CA 1.340 53.268 52.037 -0.182 0.000 0.761 106 A CB -0.725 18.074 19.000 -0.335 0.000 0.801 106 A HN 1.973 nan 8.150 nan 0.000 0.473 107 G N -2.230 106.503 108.800 -0.112 0.000 2.143 107 G HA2 0.200 4.157 3.960 -0.005 0.000 0.175 107 G HA3 0.200 4.157 3.960 -0.005 0.000 0.175 107 G C 0.313 175.177 174.900 -0.060 0.000 1.004 107 G CA 0.060 45.118 45.100 -0.070 0.000 0.671 107 G HN 1.458 nan 8.290 nan 0.000 0.512 108 A N -0.409 122.356 122.820 -0.092 0.000 2.498 108 A HA 0.647 4.965 4.320 -0.005 0.000 0.239 108 A C 0.482 178.053 177.584 -0.022 0.000 1.068 108 A CA 0.831 52.831 52.037 -0.062 0.000 0.766 108 A CB 0.370 19.295 19.000 -0.125 0.000 1.003 108 A HN 0.604 nan 8.150 nan 0.000 0.497 109 Q N -0.178 119.643 119.800 0.035 0.000 2.456 109 Q HA 0.451 4.788 4.340 -0.005 0.000 0.284 109 Q C -0.966 175.090 176.000 0.094 0.000 1.061 109 Q CA -1.045 54.785 55.803 0.045 0.000 0.799 109 Q CB 1.976 30.738 28.738 0.040 0.000 1.445 109 Q HN 0.723 nan 8.270 nan 0.000 0.411 110 K N -0.116 120.304 120.400 0.034 0.000 3.278 110 K HA -0.199 4.118 4.320 -0.005 0.000 0.270 110 K C -1.006 175.480 176.600 -0.191 0.000 0.955 110 K CA 0.112 56.398 56.287 -0.000 0.000 0.723 110 K CB -1.872 30.717 32.500 0.148 0.000 1.382 110 K HN 0.529 nan 8.250 nan 0.000 0.461 111 c N 0.628 119.104 118.600 -0.208 0.000 2.605 111 c HA 0.307 4.875 4.570 -0.005 0.000 0.404 111 c C 0.833 174.666 174.090 -0.428 0.000 1.284 111 c CA -0.543 55.633 56.329 -0.256 0.000 2.199 111 c CB -0.223 42.229 42.510 -0.097 0.000 2.647 111 c HN 0.415 nan 8.230 nan 0.000 0.604 112 H N -0.221 118.880 119.070 0.052 0.000 2.622 112 H HA 0.605 5.158 4.556 -0.005 0.000 0.363 112 H C -0.033 175.325 175.328 0.050 0.000 1.151 112 H CA -0.248 55.829 56.048 0.047 0.000 1.184 112 H CB 1.526 31.312 29.762 0.041 0.000 1.643 112 H HN 0.604 nan 8.280 nan 0.000 0.531 113 S N 0.574 116.378 115.700 0.172 0.000 2.801 113 S HA 0.757 5.224 4.470 -0.005 0.000 0.312 113 S C -0.722 173.946 174.600 0.113 0.000 1.112 113 S CA -0.324 57.954 58.200 0.130 0.000 0.943 113 S CB 0.975 64.230 63.200 0.091 0.000 1.269 113 S HN 0.521 nan 8.310 nan 0.000 0.558 114 V N -0.627 119.348 119.914 0.103 0.000 3.141 114 V HA 0.590 4.707 4.120 -0.005 0.000 0.312 114 V C 0.835 176.963 176.094 0.056 0.000 1.157 114 V CA -0.757 61.589 62.300 0.076 0.000 1.041 114 V CB 1.030 32.908 31.823 0.092 0.000 1.071 114 V HN 0.930 nan 8.190 nan 0.000 0.441 115 I N 0.897 121.489 120.570 0.037 0.000 2.423 115 I HA -0.165 4.002 4.170 -0.005 0.000 0.254 115 I C 2.286 178.414 176.117 0.017 0.000 1.151 115 I CA 2.202 63.517 61.300 0.024 0.000 1.421 115 I CB -0.241 37.768 38.000 0.015 0.000 1.079 115 I HN 1.016 nan 8.210 nan 0.000 0.431 116 T N -2.947 111.620 114.554 0.022 0.000 3.081 116 T HA 0.078 4.425 4.350 -0.005 0.000 0.250 116 T C 1.003 175.696 174.700 -0.012 0.000 1.100 116 T CA -0.104 61.997 62.100 0.001 0.000 1.038 116 T CB 0.248 69.115 68.868 -0.002 0.000 0.962 116 T HN 0.385 nan 8.240 nan 0.000 0.516 117 Q N 0.609 120.417 119.800 0.013 0.000 2.424 117 Q HA -0.177 4.160 4.340 -0.005 0.000 0.234 117 Q C -0.345 175.631 176.000 -0.041 0.000 0.748 117 Q CA 1.179 56.983 55.803 0.002 0.000 1.286 117 Q CB -1.541 27.191 28.738 -0.009 0.000 1.494 117 Q HN 0.875 nan 8.270 nan 0.000 0.683 118 D N -0.999 119.343 120.400 -0.097 0.000 2.431 118 D HA 0.208 4.845 4.640 -0.005 0.000 0.213 118 D C -0.138 175.838 176.300 -0.540 0.000 1.130 118 D CA 0.106 53.938 54.000 -0.281 0.000 0.834 118 D CB 0.117 40.707 40.800 -0.351 0.000 0.985 118 D HN 0.067 nan 8.370 nan 0.000 0.504 119 F N 0.259 120.201 119.950 -0.013 0.000 2.551 119 F HA 0.576 5.100 4.527 -0.005 0.000 0.316 119 F C -0.719 175.100 175.800 0.031 0.000 1.089 119 F CA -1.316 56.681 58.000 -0.004 0.000 0.915 119 F CB 2.302 41.287 39.000 -0.025 0.000 1.186 119 F HN -0.250 nan 8.300 nan 0.000 0.456 120 L N 2.517 123.898 121.223 0.265 0.000 2.482 120 L HA 0.605 4.942 4.340 -0.005 0.000 0.269 120 L C -0.809 176.204 176.870 0.238 0.000 0.967 120 L CA -0.027 54.930 54.840 0.196 0.000 0.851 120 L CB 1.693 43.826 42.059 0.124 0.000 1.242 120 L HN 0.573 nan 8.230 nan 0.000 0.404 121 T N 3.490 118.132 114.554 0.148 0.000 2.824 121 T HA 0.700 5.047 4.350 -0.005 0.000 0.280 121 T C -0.844 173.853 174.700 -0.005 0.000 0.995 121 T CA -0.297 61.851 62.100 0.080 0.000 1.009 121 T CB 0.952 69.824 68.868 0.006 0.000 0.955 121 T HN 0.657 nan 8.240 nan 0.000 0.452 122 c N 2.086 120.666 118.600 -0.033 0.000 2.783 122 c HA 0.476 5.043 4.570 -0.005 0.000 0.312 122 c C -0.947 173.060 174.090 -0.138 0.000 1.182 122 c CA -1.498 54.794 56.329 -0.060 0.000 1.432 122 c CB 0.972 43.485 42.510 0.006 0.000 1.933 122 c HN 1.004 nan 8.230 nan 0.000 0.473 123 W N 2.858 124.141 121.300 -0.029 0.000 2.304 123 W HA 0.617 5.274 4.660 -0.005 0.000 0.313 123 W C -0.216 176.275 176.519 -0.047 0.000 1.323 123 W CA -0.175 57.150 57.345 -0.033 0.000 1.223 123 W CB 0.320 29.759 29.460 -0.035 0.000 1.237 123 W HN 0.368 nan 8.180 nan 0.000 0.535 124 L N 3.111 124.428 121.223 0.157 0.000 2.323 124 L HA 0.512 4.849 4.340 -0.005 0.000 0.265 124 L C 0.566 177.476 176.870 0.067 0.000 1.012 124 L CA -1.188 53.696 54.840 0.072 0.000 0.820 124 L CB 1.710 43.769 42.059 -0.000 0.000 1.334 124 L HN 0.399 nan 8.230 nan 0.000 0.427 125 S N 0.595 116.311 115.700 0.027 0.000 2.585 125 S HA 0.226 4.693 4.470 -0.005 0.000 0.273 125 S C 1.331 175.911 174.600 -0.034 0.000 1.339 125 S CA -0.665 57.537 58.200 0.003 0.000 1.028 125 S CB 0.634 63.835 63.200 0.001 0.000 0.906 125 S HN 0.483 nan 8.310 nan 0.000 0.528 126 I N 1.560 122.097 120.570 -0.053 0.000 2.194 126 I HA -0.177 3.990 4.170 -0.005 0.000 0.246 126 I C 2.764 178.892 176.117 0.020 0.000 1.093 126 I CA 1.681 62.938 61.300 -0.073 0.000 1.355 126 I CB -1.282 36.687 38.000 -0.051 0.000 1.046 126 I HN 0.866 nan 8.210 nan 0.000 0.413 127 R N 0.872 121.384 120.500 0.020 0.000 2.080 127 R HA -0.221 4.116 4.340 -0.005 0.000 0.236 127 R C 2.305 178.626 176.300 0.035 0.000 1.137 127 R CA 1.809 57.930 56.100 0.035 0.000 0.943 127 R CB -0.159 30.153 30.300 0.021 0.000 0.846 127 R HN 0.450 nan 8.270 nan 0.000 0.431 128 Q N -0.605 119.202 119.800 0.012 0.000 2.124 128 Q HA -0.129 4.208 4.340 -0.005 0.000 0.202 128 Q C 2.058 178.061 176.000 0.006 0.000 0.977 128 Q CA 1.688 57.490 55.803 -0.003 0.000 0.850 128 Q CB -0.085 28.639 28.738 -0.022 0.000 0.901 128 Q HN 0.445 nan 8.270 nan 0.000 0.429 129 A N 0.977 123.810 122.820 0.022 0.000 1.969 129 A HA -0.189 4.128 4.320 -0.005 0.000 0.218 129 A C 1.661 179.343 177.584 0.164 0.000 1.169 129 A CA 1.302 53.377 52.037 0.064 0.000 0.635 129 A CB -0.189 18.808 19.000 -0.005 0.000 0.810 129 A HN 0.308 nan 8.150 nan 0.000 0.445 130 E N -0.507 119.799 120.200 0.178 0.000 2.385 130 E HA 0.092 4.439 4.350 -0.005 0.000 0.194 130 E C 1.709 178.384 176.600 0.125 0.000 1.013 130 E CA 0.099 56.610 56.400 0.184 0.000 0.866 130 E CB -0.050 29.761 29.700 0.184 0.000 0.832 130 E HN 0.593 nan 8.360 nan 0.000 0.500 131 L N 0.391 121.670 121.223 0.092 0.000 2.044 131 L HA -0.125 4.212 4.340 -0.005 0.000 0.205 131 L C 2.400 179.324 176.870 0.091 0.000 1.075 131 L CA 0.453 55.340 54.840 0.077 0.000 0.747 131 L CB -0.219 41.868 42.059 0.045 0.000 0.903 131 L HN 0.189 nan 8.230 nan 0.000 0.435 132 L N -0.091 121.166 121.223 0.058 0.000 2.079 132 L HA -0.106 4.231 4.340 -0.005 0.000 0.210 132 L C 0.765 177.770 176.870 0.225 0.000 1.081 132 L CA 1.742 56.607 54.840 0.042 0.000 0.752 132 L CB 0.026 42.010 42.059 -0.126 0.000 0.896 132 L HN 0.108 nan 8.230 nan 0.000 0.433 133 L N 0.609 121.960 121.223 0.214 0.000 2.488 133 L HA 0.382 4.719 4.340 -0.005 0.000 0.250 133 L C -2.329 174.677 176.870 0.227 0.000 1.280 133 L CA -1.838 53.170 54.840 0.281 0.000 0.929 133 L CB 0.695 42.891 42.059 0.227 0.000 1.200 133 L HN -0.091 nan 8.230 nan 0.000 0.495 134 P HA 0.129 nan 4.420 nan 0.000 0.265 134 P C 1.014 178.399 177.300 0.141 0.000 1.193 134 P CA 0.875 64.060 63.100 0.143 0.000 0.765 134 P CB 1.167 32.937 31.700 0.117 0.000 0.823 135 G N 2.185 111.056 108.800 0.118 0.000 2.308 135 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.221 135 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.221 135 G C 0.438 175.424 174.900 0.143 0.000 1.032 135 G CA -0.050 45.123 45.100 0.122 0.000 0.623 135 G HN 0.828 nan 8.290 nan 0.000 0.506 136 A N 0.803 123.687 122.820 0.107 0.000 2.566 136 A HA 0.477 4.794 4.320 -0.005 0.000 0.245 136 A C 0.395 177.915 177.584 -0.107 0.000 1.056 136 A CA 1.525 53.507 52.037 -0.091 0.000 0.757 136 A CB 0.124 19.021 19.000 -0.172 0.000 0.979 136 A HN 0.739 nan 8.150 nan 0.000 0.508 137 E N 2.876 122.958 120.200 -0.196 0.000 2.373 137 E HA 0.429 4.777 4.350 -0.005 0.000 0.251 137 E C -1.684 174.856 176.600 -0.101 0.000 0.923 137 E CA -0.382 55.981 56.400 -0.060 0.000 0.798 137 E CB 0.556 30.356 29.700 0.166 0.000 1.303 137 E HN 0.520 nan 8.360 nan 0.000 0.412 138 F N 3.545 123.501 119.950 0.010 0.000 2.420 138 F HA 0.305 4.829 4.527 -0.005 0.000 0.352 138 F C 0.857 176.526 175.800 -0.218 0.000 1.108 138 F CA 0.026 58.000 58.000 -0.044 0.000 1.162 138 F CB 0.702 39.636 39.000 -0.111 0.000 1.118 138 F HN 0.367 nan 8.300 nan 0.000 0.510 139 H N 1.920 120.989 119.070 -0.002 0.000 2.731 139 H HA 0.327 4.880 4.556 -0.005 0.000 0.368 139 H C -0.569 174.526 175.328 -0.389 0.000 1.168 139 H CA -0.954 54.941 56.048 -0.254 0.000 1.181 139 H CB 1.767 31.316 29.762 -0.354 0.000 1.743 139 H HN 0.466 nan 8.280 nan 0.000 0.547 140 H N 1.712 120.720 119.070 -0.104 0.000 2.548 140 H HA 0.157 4.710 4.556 -0.005 0.000 0.331 140 H C -0.696 174.499 175.328 -0.221 0.000 1.093 140 H CA 0.211 56.240 56.048 -0.031 0.000 1.367 140 H CB 0.551 30.359 29.762 0.077 0.000 1.455 140 H HN 0.469 nan 8.280 nan 0.000 0.519 141 Y N 0.399 120.968 120.300 0.450 0.000 2.485 141 Y HA 0.353 4.900 4.550 -0.005 0.000 0.345 141 Y C 0.103 176.289 175.900 0.477 0.000 0.998 141 Y CA -0.913 57.485 58.100 0.497 0.000 1.059 141 Y CB 2.126 40.972 38.460 0.644 0.000 1.234 141 Y HN 0.339 nan 8.280 nan 0.000 0.461 142 V N 1.685 121.862 119.914 0.438 0.000 2.715 142 V HA 0.996 5.113 4.120 -0.005 0.000 0.310 142 V C -0.533 175.451 176.094 -0.183 0.000 1.054 142 V CA -0.371 61.922 62.300 -0.011 0.000 0.928 142 V CB 1.736 33.375 31.823 -0.307 0.000 1.007 142 V HN 0.904 nan 8.190 nan 0.000 0.437 143 G N 2.660 110.942 108.800 -0.864 0.000 2.719 143 G HA2 0.735 4.693 3.960 -0.005 0.000 0.298 143 G HA3 0.735 4.693 3.960 -0.005 0.000 0.298 143 G C -0.164 174.178 174.900 -0.929 0.000 1.411 143 G CA 0.130 44.303 45.100 -1.545 0.000 0.991 143 G HN 1.935 nan 8.290 nan 0.000 0.509 144 G N 1.665 110.086 108.800 -0.632 0.000 2.796 144 G HA2 -0.013 3.944 3.960 -0.005 0.000 0.571 144 G HA3 -0.013 3.944 3.960 -0.005 0.000 0.571 144 G C -1.717 173.052 174.900 -0.218 0.000 1.370 144 G CA -0.019 44.864 45.100 -0.362 0.000 0.856 144 G HN 0.651 nan 8.290 nan 0.000 0.538 145 P HA 0.076 nan 4.420 nan 0.000 0.225 145 P C 1.685 178.953 177.300 -0.053 0.000 1.156 145 P CA 2.260 65.315 63.100 -0.075 0.000 0.787 145 P CB 0.134 31.808 31.700 -0.044 0.000 0.802 146 T N -4.330 110.190 114.554 -0.058 0.000 3.176 146 T HA 0.217 4.564 4.350 -0.005 0.000 0.263 146 T C 0.172 174.853 174.700 -0.031 0.000 1.021 146 T CA -0.418 61.672 62.100 -0.017 0.000 0.905 146 T CB -0.884 67.992 68.868 0.013 0.000 1.057 146 T HN 0.041 nan 8.240 nan 0.000 0.558 147 E N 1.348 121.481 120.200 -0.112 0.000 2.246 147 E HA -0.134 4.213 4.350 -0.005 0.000 0.211 147 E C -0.814 175.677 176.600 -0.182 0.000 1.278 147 E CA 0.254 56.551 56.400 -0.172 0.000 0.694 147 E CB -2.043 27.634 29.700 -0.039 0.000 1.166 147 E HN 0.561 nan 8.360 nan 0.000 0.370 148 T N 1.399 115.826 114.554 -0.211 0.000 2.888 148 T HA 0.087 4.434 4.350 -0.005 0.000 0.301 148 T C 0.112 174.783 174.700 -0.048 0.000 1.001 148 T CA 0.023 62.091 62.100 -0.053 0.000 1.147 148 T CB 0.485 69.379 68.868 0.043 0.000 0.931 148 T HN 0.193 nan 8.240 nan 0.000 0.541 149 H N 1.719 120.908 119.070 0.199 0.000 2.481 149 H HA 0.572 5.125 4.556 -0.005 0.000 0.333 149 H C 0.005 175.519 175.328 0.310 0.000 1.066 149 H CA -0.493 55.714 56.048 0.266 0.000 1.209 149 H CB 1.630 31.480 29.762 0.147 0.000 1.445 149 H HN 0.503 nan 8.280 nan 0.000 0.488 150 V N 0.870 121.082 119.914 0.497 0.000 3.160 150 V HA 0.610 4.727 4.120 -0.005 0.000 0.310 150 V C -0.843 175.473 176.094 0.369 0.000 1.181 150 V CA -0.926 61.571 62.300 0.329 0.000 1.047 150 V CB 2.094 33.981 31.823 0.107 0.000 1.068 150 V HN 0.406 nan 8.190 nan 0.000 0.441 151 V N 2.599 122.656 119.914 0.239 0.000 2.483 151 V HA 0.875 4.992 4.120 -0.005 0.000 0.297 151 V C -0.714 175.516 176.094 0.228 0.000 1.027 151 V CA -0.236 62.207 62.300 0.237 0.000 0.855 151 V CB 1.365 33.255 31.823 0.111 0.000 0.995 151 V HN 1.091 nan 8.190 nan 0.000 0.424 152 R N 3.500 124.205 120.500 0.341 0.000 2.799 152 R HA 0.557 4.895 4.340 -0.005 0.000 0.270 152 R C -0.998 175.406 176.300 0.172 0.000 1.010 152 R CA -0.659 55.524 56.100 0.137 0.000 0.916 152 R CB 1.928 32.023 30.300 -0.342 0.000 1.228 152 R HN 0.673 nan 8.270 nan 0.000 0.469 153 S N 1.751 117.385 115.700 -0.111 0.000 2.437 153 S HA 0.403 4.871 4.470 -0.005 0.000 0.305 153 S C -1.694 172.942 174.600 0.061 0.000 1.109 153 S CA -1.706 56.408 58.200 -0.142 0.000 1.099 153 S CB 1.083 64.033 63.200 -0.417 0.000 1.004 153 S HN 0.324 nan 8.310 nan 0.000 0.475 154 P HA 0.046 nan 4.420 nan 0.000 0.236 154 P C -0.394 176.869 177.300 -0.060 0.000 1.177 154 P CA 0.571 63.605 63.100 -0.109 0.000 0.773 154 P CB -0.107 31.439 31.700 -0.256 0.000 0.878 155 H N 1.044 120.157 119.070 0.073 0.000 2.499 155 H HA 0.341 4.894 4.556 -0.005 0.000 0.340 155 H C -2.063 173.348 175.328 0.139 0.000 1.148 155 H CA -2.734 53.349 56.048 0.059 0.000 1.215 155 H CB 1.327 31.120 29.762 0.051 0.000 1.529 155 H HN 0.023 nan 8.280 nan 0.000 0.510 156 P HA -0.026 nan 4.420 nan 0.000 0.272 156 P C -1.216 176.233 177.300 0.249 0.000 1.230 156 P CA -0.010 63.208 63.100 0.195 0.000 0.788 156 P CB 0.816 32.529 31.700 0.022 0.000 0.949 157 Y N -1.698 118.689 120.300 0.145 0.000 2.598 157 Y HA 0.648 5.195 4.550 -0.005 0.000 0.340 157 Y C -0.428 175.500 175.900 0.046 0.000 1.038 157 Y CA -1.222 56.927 58.100 0.080 0.000 1.100 157 Y CB 1.208 39.700 38.460 0.054 0.000 1.281 157 Y HN 0.293 nan 8.280 nan 0.000 0.488 158 Q N 2.151 122.000 119.800 0.081 0.000 2.387 158 Q HA 0.621 4.958 4.340 -0.005 0.000 0.273 158 Q C -1.446 174.562 176.000 0.014 0.000 1.089 158 Q CA -1.026 54.728 55.803 -0.081 0.000 0.824 158 Q CB 3.303 32.023 28.738 -0.030 0.000 1.367 158 Q HN 0.782 nan 8.270 nan 0.000 0.443 159 L N 1.553 122.627 121.223 -0.250 0.000 2.322 159 L HA 0.541 4.878 4.340 -0.005 0.000 0.269 159 L C -2.298 174.463 176.870 -0.181 0.000 1.012 159 L CA -2.400 52.338 54.840 -0.169 0.000 0.815 159 L CB 1.281 43.163 42.059 -0.295 0.000 1.295 159 L HN 0.306 nan 8.230 nan 0.000 0.438 160 P HA -0.056 nan 4.420 nan 0.000 0.266 160 P C -0.013 177.321 177.300 0.056 0.000 1.186 160 P CA -0.045 63.043 63.100 -0.019 0.000 0.767 160 P CB 0.418 32.069 31.700 -0.082 0.000 0.820 161 Q N 2.156 122.040 119.800 0.139 0.000 2.226 161 Q HA -0.153 4.184 4.340 -0.005 0.000 0.204 161 Q C 1.845 177.915 176.000 0.116 0.000 0.975 161 Q CA 1.837 57.760 55.803 0.201 0.000 0.866 161 Q CB -0.693 28.112 28.738 0.112 0.000 0.915 161 Q HN 0.565 nan 8.270 nan 0.000 0.440 162 A N -0.081 122.769 122.820 0.050 0.000 2.209 162 A HA -0.004 4.313 4.320 -0.005 0.000 0.212 162 A C 1.800 179.440 177.584 0.093 0.000 1.158 162 A CA 0.517 52.579 52.037 0.042 0.000 0.742 162 A CB -0.191 18.804 19.000 -0.007 0.000 0.790 162 A HN 0.282 nan 8.150 nan 0.000 0.472 163 L N -1.835 119.407 121.223 0.031 0.000 2.664 163 L HA 0.171 4.508 4.340 -0.005 0.000 0.233 163 L C 2.572 179.512 176.870 0.117 0.000 1.113 163 L CA 0.506 55.357 54.840 0.018 0.000 0.896 163 L CB -0.022 41.806 42.059 -0.386 0.000 1.163 163 L HN 0.339 nan 8.230 nan 0.000 0.497 164 A N 1.281 124.201 122.820 0.167 0.000 1.986 164 A HA -0.122 4.195 4.320 -0.005 0.000 0.220 164 A C -0.469 177.053 177.584 -0.105 0.000 1.171 164 A CA 1.650 53.746 52.037 0.098 0.000 0.640 164 A CB -1.395 17.515 19.000 -0.149 0.000 0.811 164 A HN 0.257 nan 8.150 nan 0.000 0.451 165 P HA 0.058 nan 4.420 nan 0.000 0.249 165 P C 0.452 177.382 177.300 -0.617 0.000 1.229 165 P CA 0.877 63.615 63.100 -0.603 0.000 0.788 165 P CB 0.192 31.314 31.700 -0.964 0.000 1.072 166 H N -3.287 115.767 119.070 -0.028 0.000 3.580 166 H HA 0.287 4.840 4.556 -0.005 0.000 0.245 166 H C 0.043 175.354 175.328 -0.028 0.000 1.015 166 H CA 0.304 56.325 56.048 -0.046 0.000 1.113 166 H CB 1.204 30.920 29.762 -0.077 0.000 1.469 166 H HN -0.166 nan 8.280 nan 0.000 0.554 167 V N 2.714 122.687 119.914 0.099 0.000 2.531 167 V HA 0.140 4.257 4.120 -0.005 0.000 0.301 167 V C 0.179 176.350 176.094 0.128 0.000 1.034 167 V CA -0.520 61.846 62.300 0.109 0.000 0.865 167 V CB 2.704 34.615 31.823 0.147 0.000 0.995 167 V HN 0.084 nan 8.190 nan 0.000 0.424 168 D N 3.166 123.616 120.400 0.082 0.000 2.149 168 D HA 0.139 4.777 4.640 -0.005 0.000 0.206 168 D C 0.150 176.681 176.300 0.385 0.000 0.967 168 D CA 1.821 55.930 54.000 0.181 0.000 0.848 168 D CB 0.348 41.229 40.800 0.136 0.000 0.998 168 D HN 0.549 nan 8.370 nan 0.000 0.474 169 F N -2.476 117.613 119.950 0.232 0.000 2.858 169 F HA 0.476 5.000 4.527 -0.005 0.000 0.319 169 F C -1.736 174.202 175.800 0.229 0.000 1.166 169 F CA -1.430 56.739 58.000 0.282 0.000 0.899 169 F CB 1.074 40.247 39.000 0.289 0.000 1.332 169 F HN -0.378 nan 8.300 nan 0.000 0.461 170 V N 2.091 122.236 119.914 0.385 0.000 2.334 170 V HA 0.673 4.790 4.120 -0.005 0.000 0.281 170 V C 0.654 176.776 176.094 0.046 0.000 1.016 170 V CA -0.381 61.865 62.300 -0.090 0.000 0.832 170 V CB 0.700 32.272 31.823 -0.417 0.000 0.999 170 V HN 1.153 nan 8.190 nan 0.000 0.439 171 G N 2.685 111.530 108.800 0.075 0.000 2.491 171 G HA2 0.451 4.408 3.960 -0.005 0.000 0.238 171 G HA3 0.451 4.408 3.960 -0.005 0.000 0.238 171 G C 0.992 175.830 174.900 -0.104 0.000 1.277 171 G CA 0.602 45.774 45.100 0.120 0.000 0.851 171 G HN 1.846 nan 8.290 nan 0.000 0.573 172 G N 0.341 109.082 108.800 -0.098 0.000 2.148 172 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.203 172 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.203 172 G C 0.878 175.696 174.900 -0.138 0.000 0.993 172 G CA 0.291 45.318 45.100 -0.122 0.000 0.661 172 G HN 0.545 nan 8.290 nan 0.000 0.518 173 L N -0.848 120.204 121.223 -0.284 0.000 2.357 173 L HA 0.341 4.678 4.340 -0.005 0.000 0.211 173 L C 1.949 178.467 176.870 -0.585 0.000 1.075 173 L CA 1.933 56.443 54.840 -0.550 0.000 0.830 173 L CB -0.570 40.890 42.059 -0.998 0.000 0.996 173 L HN 0.441 nan 8.230 nan 0.000 0.467 174 H N -1.595 117.373 119.070 -0.170 0.000 1.775 174 H HA 0.254 4.807 4.556 -0.005 0.000 0.164 174 H C 0.447 175.618 175.328 -0.261 0.000 0.968 174 H CA -0.356 55.585 56.048 -0.178 0.000 1.007 174 H CB 0.618 30.330 29.762 -0.083 0.000 0.967 174 H HN 0.014 nan 8.280 nan 0.000 0.327 175 R N 1.123 121.554 120.500 -0.114 0.000 2.449 175 R HA 0.199 4.536 4.340 -0.005 0.000 0.296 175 R C -0.722 175.459 176.300 -0.199 0.000 1.047 175 R CA -0.036 55.992 56.100 -0.120 0.000 1.018 175 R CB 0.206 30.385 30.300 -0.202 0.000 0.962 175 R HN -0.065 nan 8.270 nan 0.000 0.428 176 F N 4.634 124.423 119.950 -0.269 0.000 2.384 176 F HA 0.268 4.792 4.527 -0.005 0.000 0.338 176 F C -1.108 174.644 175.800 -0.080 0.000 1.103 176 F CA -1.858 55.927 58.000 -0.357 0.000 1.157 176 F CB 0.673 39.196 39.000 -0.795 0.000 1.167 176 F HN 0.379 nan 8.300 nan 0.000 0.529 177 P HA 0.131 nan 4.420 nan 0.000 0.272 177 P C -2.670 174.882 177.300 0.420 0.000 1.240 177 P CA -1.254 62.064 63.100 0.363 0.000 0.791 177 P CB -0.193 31.747 31.700 0.401 0.000 0.978 178 P HA 0.099 nan 4.420 nan 0.000 0.271 178 P C -0.356 177.102 177.300 0.265 0.000 1.218 178 P CA 0.262 63.504 63.100 0.237 0.000 0.780 178 P CB 0.290 32.087 31.700 0.162 0.000 0.901 179 T N -1.985 112.683 114.554 0.190 0.000 2.907 179 T HA 0.503 4.850 4.350 -0.005 0.000 0.292 179 T C 0.092 174.814 174.700 0.038 0.000 1.043 179 T CA -0.787 61.361 62.100 0.081 0.000 1.003 179 T CB 0.830 69.678 68.868 -0.033 0.000 1.084 179 T HN 0.410 nan 8.240 nan 0.000 0.483 180 S N 1.791 117.498 115.700 0.012 0.000 2.576 180 S HA 0.390 4.857 4.470 -0.005 0.000 0.276 180 S C 0.511 175.108 174.600 -0.005 0.000 1.339 180 S CA -0.745 57.460 58.200 0.009 0.000 1.039 180 S CB 0.714 63.919 63.200 0.008 0.000 0.902 180 S HN 0.963 nan 8.310 nan 0.000 0.516 181 S N 1.427 117.126 115.700 -0.001 0.000 2.560 181 S HA 0.153 4.620 4.470 -0.005 0.000 0.284 181 S C 0.787 175.383 174.600 -0.007 0.000 1.327 181 S CA -0.707 57.490 58.200 -0.005 0.000 1.055 181 S CB -0.394 62.804 63.200 -0.003 0.000 0.868 181 S HN 0.674 nan 8.310 nan 0.000 0.506 182 L N 3.810 125.026 121.223 -0.011 0.000 2.629 182 L HA 0.233 4.570 4.340 -0.005 0.000 0.230 182 L C 1.433 178.300 176.870 -0.005 0.000 1.151 182 L CA -0.088 54.746 54.840 -0.011 0.000 0.924 182 L CB -0.407 41.641 42.059 -0.017 0.000 1.137 182 L HN 0.619 nan 8.230 nan 0.000 0.457 183 R N 1.709 122.207 120.500 -0.002 0.000 2.522 183 R HA 0.031 4.368 4.340 -0.005 0.000 0.284 183 R C -0.225 176.076 176.300 0.002 0.000 1.032 183 R CA -0.259 55.840 56.100 -0.001 0.000 1.049 183 R CB 0.594 30.894 30.300 0.001 0.000 0.956 183 R HN 0.120 nan 8.270 nan 0.000 0.422 184 Q N 4.466 124.265 119.800 -0.002 0.000 2.295 184 Q HA 0.113 4.450 4.340 -0.005 0.000 0.259 184 Q C -0.065 175.931 176.000 -0.006 0.000 0.976 184 Q CA 0.102 55.905 55.803 0.000 0.000 0.923 184 Q CB 1.034 29.769 28.738 -0.005 0.000 1.185 184 Q HN 0.533 nan 8.270 nan 0.000 0.410 185 R N 2.493 123.000 120.500 0.012 0.000 2.827 185 R HA 0.197 4.534 4.340 -0.005 0.000 0.269 185 R C -1.929 174.344 176.300 -0.046 0.000 1.048 185 R CA -1.360 54.744 56.100 0.007 0.000 1.173 185 R CB -0.727 29.634 30.300 0.101 0.000 1.070 185 R HN 0.341 nan 8.270 nan 0.000 0.498 186 P HA -0.043 nan 4.420 nan 0.000 0.266 186 P C -0.559 176.704 177.300 -0.062 0.000 1.195 186 P CA 0.390 63.336 63.100 -0.258 0.000 0.768 186 P CB 0.469 31.741 31.700 -0.713 0.000 0.838 187 E N 3.202 123.389 120.200 -0.022 0.000 2.374 187 E HA 0.176 4.523 4.350 -0.005 0.000 0.260 187 E C -1.888 174.779 176.600 0.112 0.000 1.101 187 E CA -1.483 54.948 56.400 0.052 0.000 0.907 187 E CB -0.514 29.203 29.700 0.029 0.000 1.014 187 E HN 0.346 nan 8.360 nan 0.000 0.427 188 P HA -0.078 nan 4.420 nan 0.000 0.264 188 P C -0.682 176.683 177.300 0.109 0.000 1.179 188 P CA 0.667 63.856 63.100 0.148 0.000 0.763 188 P CB 0.276 32.044 31.700 0.114 0.000 0.806 189 Q N -0.241 119.631 119.800 0.120 0.000 2.594 189 Q HA 0.477 4.814 4.340 -0.005 0.000 0.278 189 Q C -1.570 174.488 176.000 0.095 0.000 0.961 189 Q CA -1.074 54.783 55.803 0.089 0.000 0.844 189 Q CB 0.568 29.349 28.738 0.071 0.000 1.475 189 Q HN 0.051 nan 8.270 nan 0.000 0.389 190 V N 1.801 121.759 119.914 0.073 0.000 2.963 190 V HA 0.367 4.484 4.120 -0.005 0.000 0.306 190 V C 0.038 176.181 176.094 0.080 0.000 1.077 190 V CA 0.621 62.963 62.300 0.071 0.000 1.124 190 V CB 1.058 32.913 31.823 0.053 0.000 0.987 190 V HN 0.960 nan 8.190 nan 0.000 0.487 191 T N 1.656 116.263 114.554 0.089 0.000 2.742 191 T HA 0.520 4.867 4.350 -0.005 0.000 0.282 191 T C 0.912 175.657 174.700 0.076 0.000 1.025 191 T CA 0.163 62.315 62.100 0.087 0.000 1.020 191 T CB 1.669 70.610 68.868 0.123 0.000 1.317 191 T HN 0.792 nan 8.240 nan 0.000 0.538 192 G N 0.644 109.489 108.800 0.075 0.000 2.986 192 G HA2 0.256 4.213 3.960 -0.005 0.000 0.213 192 G HA3 0.256 4.213 3.960 -0.005 0.000 0.213 192 G C 0.434 175.383 174.900 0.081 0.000 1.156 192 G CA 0.247 45.386 45.100 0.065 0.000 0.763 192 G HN 0.822 nan 8.290 nan 0.000 0.547 193 T N -0.750 113.876 114.554 0.120 0.000 3.060 193 T HA 0.368 4.716 4.350 -0.005 0.000 0.367 193 T C 0.745 175.550 174.700 0.175 0.000 1.229 193 T CA -0.482 61.711 62.100 0.155 0.000 1.104 193 T CB 1.145 70.169 68.868 0.259 0.000 1.083 193 T HN 0.172 nan 8.240 nan 0.000 0.524 194 V N 0.584 120.544 119.914 0.076 0.000 3.593 194 V HA 0.441 4.558 4.120 -0.005 0.000 0.275 194 V C 1.491 177.529 176.094 -0.094 0.000 1.237 194 V CA 0.011 62.343 62.300 0.054 0.000 1.194 194 V CB -2.303 29.537 31.823 0.028 0.000 0.949 194 V HN 1.444 nan 8.190 nan 0.000 0.467 195 G N 0.081 108.694 108.800 -0.312 0.000 2.801 195 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.686 195 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.686 195 G C 0.025 174.506 174.900 -0.698 0.000 1.507 195 G CA -0.074 44.232 45.100 -1.322 0.000 0.980 195 G HN 0.317 nan 8.290 nan 0.000 0.589 196 L N 0.294 121.096 121.223 -0.703 0.000 2.201 196 L HA 0.125 4.462 4.340 -0.005 0.000 0.212 196 L C 1.217 178.001 176.870 -0.143 0.000 1.105 196 L CA 1.687 56.355 54.840 -0.287 0.000 0.775 196 L CB -0.125 41.835 42.059 -0.165 0.000 0.913 196 L HN 0.803 nan 8.230 nan 0.000 0.440 197 H N -0.957 117.900 119.070 -0.355 0.000 3.222 197 H HA 0.310 4.863 4.556 -0.005 0.000 0.315 197 H C -1.286 174.051 175.328 0.014 0.000 1.116 197 H CA -0.948 55.022 56.048 -0.130 0.000 1.511 197 H CB 0.769 30.493 29.762 -0.063 0.000 2.059 197 H HN -0.148 nan 8.280 nan 0.000 0.420 198 L N 5.373 126.438 121.223 -0.264 0.000 2.313 198 L HA 0.631 4.968 4.340 -0.005 0.000 0.282 198 L C 0.821 177.663 176.870 -0.047 0.000 1.092 198 L CA 1.841 56.682 54.840 0.002 0.000 0.831 198 L CB 0.077 42.193 42.059 0.096 0.000 1.159 198 L HN 1.026 nan 8.230 nan 0.000 0.442 199 G N 3.110 111.976 108.800 0.109 0.000 2.698 199 G HA2 -0.091 3.866 3.960 -0.005 0.000 0.225 199 G HA3 -0.091 3.866 3.960 -0.005 0.000 0.225 199 G C -1.192 173.806 174.900 0.162 0.000 1.345 199 G CA -0.605 44.558 45.100 0.105 0.000 0.871 199 G HN 0.733 nan 8.290 nan 0.000 0.540 200 V N 1.621 121.583 119.914 0.080 0.000 2.398 200 V HA 0.787 4.904 4.120 -0.005 0.000 0.286 200 V C 0.896 177.011 176.094 0.034 0.000 1.026 200 V CA 0.523 62.793 62.300 -0.051 0.000 0.868 200 V CB 1.080 32.567 31.823 -0.560 0.000 0.982 200 V HN 1.564 nan 8.190 nan 0.000 0.443 201 T N 2.486 117.085 114.554 0.075 0.000 2.864 201 T HA 0.513 4.860 4.350 -0.005 0.000 0.289 201 T C -2.294 172.470 174.700 0.107 0.000 1.082 201 T CA -2.083 60.001 62.100 -0.027 0.000 1.009 201 T CB 2.127 70.905 68.868 -0.151 0.000 1.234 201 T HN 0.270 nan 8.240 nan 0.000 0.526 202 P HA -0.105 nan 4.420 nan 0.000 0.216 202 P C 1.764 179.119 177.300 0.091 0.000 1.154 202 P CA 1.262 64.448 63.100 0.142 0.000 0.865 202 P CB -0.122 31.712 31.700 0.224 0.000 0.789 203 S N -1.027 114.731 115.700 0.097 0.000 2.370 203 S HA -0.117 4.350 4.470 -0.005 0.000 0.226 203 S C 1.952 176.553 174.600 0.002 0.000 1.033 203 S CA 1.201 59.432 58.200 0.053 0.000 1.011 203 S CB -1.100 62.105 63.200 0.009 0.000 0.852 203 S HN -0.044 nan 8.310 nan 0.000 0.457 204 V N 2.222 122.146 119.914 0.016 0.000 2.307 204 V HA -0.142 3.975 4.120 -0.005 0.000 0.245 204 V C 2.208 178.297 176.094 -0.008 0.000 1.045 204 V CA 1.218 63.526 62.300 0.014 0.000 1.024 204 V CB -0.570 31.312 31.823 0.097 0.000 0.651 204 V HN 0.402 nan 8.190 nan 0.000 0.449 205 I N 0.255 120.834 120.570 0.016 0.000 2.127 205 I HA -0.229 3.938 4.170 -0.005 0.000 0.241 205 I C 2.632 178.754 176.117 0.008 0.000 1.075 205 I CA 1.821 63.135 61.300 0.023 0.000 1.334 205 I CB -1.275 36.838 38.000 0.188 0.000 1.040 205 I HN 0.329 nan 8.210 nan 0.000 0.405 206 R N 0.367 120.864 120.500 -0.005 0.000 2.115 206 R HA -0.164 4.173 4.340 -0.005 0.000 0.230 206 R C 2.247 178.532 176.300 -0.025 0.000 1.111 206 R CA 1.124 57.202 56.100 -0.037 0.000 0.976 206 R CB -0.237 29.990 30.300 -0.122 0.000 0.870 206 R HN 0.335 nan 8.270 nan 0.000 0.445 207 K N 0.923 121.300 120.400 -0.039 0.000 2.001 207 K HA -0.201 4.116 4.320 -0.005 0.000 0.208 207 K C 2.242 178.802 176.600 -0.066 0.000 1.048 207 K CA 1.427 57.686 56.287 -0.046 0.000 0.932 207 K CB -0.010 32.453 32.500 -0.062 0.000 0.715 207 K HN -0.144 nan 8.250 nan 0.000 0.437 208 R N -0.079 120.337 120.500 -0.141 0.000 2.081 208 R HA -0.143 4.194 4.340 -0.005 0.000 0.235 208 R C 1.174 177.353 176.300 -0.202 0.000 1.131 208 R CA 1.793 57.753 56.100 -0.234 0.000 0.960 208 R CB -0.623 29.453 30.300 -0.374 0.000 0.856 208 R HN 0.349 nan 8.270 nan 0.000 0.436 209 Y N 0.781 121.100 120.300 0.031 0.000 2.493 209 Y HA 0.337 4.884 4.550 -0.005 0.000 0.275 209 Y C 0.022 175.955 175.900 0.055 0.000 1.183 209 Y CA -0.584 57.536 58.100 0.034 0.000 1.258 209 Y CB -0.222 38.246 38.460 0.013 0.000 1.108 209 Y HN 0.124 nan 8.280 nan 0.000 0.521 210 N N 0.101 118.885 118.700 0.140 0.000 2.754 210 N HA -0.195 4.542 4.740 -0.005 0.000 0.248 210 N C -0.994 174.599 175.510 0.138 0.000 1.093 210 N CA 0.504 53.629 53.050 0.126 0.000 0.699 210 N CB -1.680 36.898 38.487 0.151 0.000 1.016 210 N HN 0.343 nan 8.380 nan 0.000 0.552 211 L N 0.951 122.191 121.223 0.029 0.000 2.361 211 L HA 0.209 4.546 4.340 -0.005 0.000 0.278 211 L C 1.673 178.521 176.870 -0.037 0.000 1.113 211 L CA -0.205 54.571 54.840 -0.107 0.000 0.849 211 L CB 0.742 42.650 42.059 -0.253 0.000 1.155 211 L HN 0.172 nan 8.230 nan 0.000 0.452 212 T N -1.251 113.305 114.554 0.004 0.000 2.754 212 T HA 0.095 4.442 4.350 -0.005 0.000 0.286 212 T C 1.371 176.087 174.700 0.026 0.000 0.997 212 T CA -0.186 61.932 62.100 0.030 0.000 0.982 212 T CB 1.199 70.104 68.868 0.062 0.000 1.027 212 T HN 0.663 nan 8.240 nan 0.000 0.529 213 S N 0.145 115.881 115.700 0.060 0.000 2.442 213 S HA -0.162 4.305 4.470 -0.005 0.000 0.236 213 S C 1.754 176.405 174.600 0.086 0.000 1.007 213 S CA 0.754 59.012 58.200 0.097 0.000 0.965 213 S CB -0.657 62.600 63.200 0.095 0.000 0.773 213 S HN 0.718 nan 8.310 nan 0.000 0.504 214 Q N 1.377 121.217 119.800 0.067 0.000 2.435 214 Q HA 0.198 4.535 4.340 -0.005 0.000 0.207 214 Q C -0.049 175.989 176.000 0.064 0.000 0.956 214 Q CA 0.617 56.462 55.803 0.069 0.000 0.917 214 Q CB -0.241 28.543 28.738 0.076 0.000 0.997 214 Q HN 0.508 nan 8.270 nan 0.000 0.497 215 D N 0.925 121.340 120.400 0.025 0.000 2.608 215 D HA 0.100 4.737 4.640 -0.005 0.000 0.224 215 D C -0.579 175.674 176.300 -0.078 0.000 1.123 215 D CA 0.119 54.086 54.000 -0.055 0.000 1.030 215 D CB -0.089 40.557 40.800 -0.257 0.000 1.093 215 D HN -0.004 nan 8.370 nan 0.000 0.497 216 V N -2.284 117.635 119.914 0.008 0.000 3.114 216 V HA 0.821 4.938 4.120 -0.005 0.000 0.308 216 V C 0.581 176.696 176.094 0.035 0.000 1.168 216 V CA -1.235 61.083 62.300 0.029 0.000 1.015 216 V CB 1.500 33.377 31.823 0.090 0.000 1.050 216 V HN 0.203 nan 8.190 nan 0.000 0.433 217 G N 1.127 109.952 108.800 0.041 0.000 2.484 217 G HA2 0.383 4.340 3.960 -0.005 0.000 0.235 217 G HA3 0.383 4.340 3.960 -0.005 0.000 0.235 217 G C 0.896 175.812 174.900 0.026 0.000 1.282 217 G CA 0.308 45.429 45.100 0.034 0.000 0.857 217 G HN 1.834 nan 8.290 nan 0.000 0.571 218 S N 0.219 115.925 115.700 0.010 0.000 2.511 218 S HA 0.299 4.766 4.470 -0.005 0.000 0.214 218 S C 1.937 176.544 174.600 0.012 0.000 0.997 218 S CA 0.922 59.125 58.200 0.006 0.000 0.908 218 S CB 0.196 63.388 63.200 -0.012 0.000 0.803 218 S HN 2.255 nan 8.310 nan 0.000 0.504 219 G N 1.491 110.303 108.800 0.020 0.000 2.168 219 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.263 219 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.263 219 G C 0.842 175.755 174.900 0.021 0.000 0.977 219 G CA 1.097 46.211 45.100 0.024 0.000 0.659 219 G HN 1.120 nan 8.290 nan 0.000 0.533 220 T N -2.175 112.388 114.554 0.015 0.000 3.044 220 T HA 0.505 4.852 4.350 -0.005 0.000 0.250 220 T C 1.353 176.065 174.700 0.019 0.000 1.081 220 T CA 1.181 63.289 62.100 0.013 0.000 1.040 220 T CB 0.264 69.135 68.868 0.005 0.000 0.962 220 T HN 1.402 nan 8.240 nan 0.000 0.506 221 S N 2.237 117.952 115.700 0.025 0.000 2.747 221 S HA 0.445 4.912 4.470 -0.005 0.000 0.300 221 S C 0.411 175.040 174.600 0.048 0.000 1.121 221 S CA -0.761 57.463 58.200 0.039 0.000 0.995 221 S CB 1.007 64.235 63.200 0.046 0.000 1.113 221 S HN 0.318 nan 8.310 nan 0.000 0.547 222 N N 0.399 119.136 118.700 0.062 0.000 2.346 222 N HA 0.033 4.770 4.740 -0.005 0.000 0.225 222 N C -0.329 175.217 175.510 0.059 0.000 1.144 222 N CA -0.376 52.708 53.050 0.056 0.000 0.837 222 N CB -1.062 37.456 38.487 0.052 0.000 1.069 222 N HN 0.584 nan 8.380 nan 0.000 0.487 223 N N 0.960 119.718 118.700 0.097 0.000 2.356 223 N HA -0.003 4.734 4.740 -0.005 0.000 0.252 223 N C -0.698 174.816 175.510 0.006 0.000 1.241 223 N CA 0.391 53.517 53.050 0.126 0.000 0.861 223 N CB 0.466 39.032 38.487 0.132 0.000 1.075 223 N HN 0.491 nan 8.380 nan 0.000 0.461 224 S N 1.389 117.030 115.700 -0.098 0.000 2.596 224 S HA 0.618 5.085 4.470 -0.005 0.000 0.270 224 S C -1.367 173.076 174.600 -0.261 0.000 1.155 224 S CA -0.976 57.105 58.200 -0.199 0.000 0.827 224 S CB 1.795 64.797 63.200 -0.330 0.000 1.130 224 S HN 0.744 nan 8.310 nan 0.000 0.467 225 Q N 0.246 119.885 119.800 -0.270 0.000 2.565 225 Q HA 0.859 5.197 4.340 -0.005 0.000 0.294 225 Q C -1.551 174.285 176.000 -0.274 0.000 1.005 225 Q CA -1.603 54.052 55.803 -0.248 0.000 0.771 225 Q CB 1.851 30.532 28.738 -0.095 0.000 1.486 225 Q HN 1.510 nan 8.270 nan 0.000 0.422 226 A N 0.286 122.962 122.820 -0.240 0.000 2.566 226 A HA 0.720 5.037 4.320 -0.005 0.000 0.297 226 A C -0.832 176.740 177.584 -0.019 0.000 1.059 226 A CA -0.467 51.509 52.037 -0.101 0.000 0.691 226 A CB 1.175 20.069 19.000 -0.176 0.000 1.282 226 A HN 1.138 nan 8.150 nan 0.000 0.401 227 C N 0.462 119.798 119.300 0.060 0.000 2.561 227 C HA 1.016 5.473 4.460 -0.005 0.000 0.319 227 C C 0.202 175.189 174.990 -0.006 0.000 1.198 227 C CA -0.183 58.831 59.018 -0.008 0.000 1.665 227 C CB 0.671 28.386 27.740 -0.041 0.000 2.258 227 C HN 2.014 nan 8.230 nan 0.000 0.493 228 A N 2.588 125.270 122.820 -0.231 0.000 2.393 228 A HA 0.886 5.203 4.320 -0.005 0.000 0.306 228 A C -0.722 176.508 177.584 -0.590 0.000 1.050 228 A CA -0.345 51.392 52.037 -0.500 0.000 0.724 228 A CB 1.543 19.948 19.000 -0.992 0.000 1.248 228 A HN 1.245 nan 8.150 nan 0.000 0.424 229 Q N -0.150 119.255 119.800 -0.658 0.000 2.615 229 Q HA 0.814 5.151 4.340 -0.005 0.000 0.298 229 Q C -1.434 174.162 176.000 -0.673 0.000 1.023 229 Q CA -0.398 55.075 55.803 -0.550 0.000 0.768 229 Q CB 0.975 29.626 28.738 -0.145 0.000 1.500 229 Q HN 0.443 nan 8.270 nan 0.000 0.441 230 F N -0.538 119.472 119.950 0.101 0.000 2.859 230 F HA 0.417 4.941 4.527 -0.005 0.000 0.324 230 F C -0.584 175.317 175.800 0.169 0.000 1.158 230 F CA -0.415 57.680 58.000 0.160 0.000 1.147 230 F CB 0.844 40.007 39.000 0.272 0.000 1.137 230 F HN 0.247 nan 8.300 nan 0.000 0.516 231 L N 0.737 122.091 121.223 0.217 0.000 2.417 231 L HA 0.210 4.547 4.340 -0.005 0.000 0.268 231 L C 0.951 177.872 176.870 0.086 0.000 1.158 231 L CA -0.376 54.554 54.840 0.149 0.000 0.819 231 L CB 0.724 42.838 42.059 0.092 0.000 1.112 231 L HN 0.027 nan 8.230 nan 0.000 0.458 232 E N 2.652 122.894 120.200 0.071 0.000 2.127 232 E HA -0.008 4.339 4.350 -0.005 0.000 0.295 232 E C -0.982 175.589 176.600 -0.048 0.000 1.155 232 E CA 0.272 56.672 56.400 0.000 0.000 1.201 232 E CB -0.087 29.628 29.700 0.025 0.000 1.083 232 E HN 0.371 nan 8.360 nan 0.000 0.472 233 Q N 1.341 121.088 119.800 -0.088 0.000 2.421 233 Q HA 0.352 4.689 4.340 -0.005 0.000 0.280 233 Q C -1.224 174.701 176.000 -0.125 0.000 1.085 233 Q CA -0.996 54.770 55.803 -0.061 0.000 0.807 233 Q CB 1.536 30.277 28.738 0.005 0.000 1.405 233 Q HN 0.318 nan 8.270 nan 0.000 0.419 234 Y N 0.620 120.965 120.300 0.076 0.000 2.334 234 Y HA 0.330 4.877 4.550 -0.005 0.000 0.328 234 Y C -0.249 175.747 175.900 0.160 0.000 1.130 234 Y CA -0.744 57.444 58.100 0.147 0.000 1.163 234 Y CB 0.815 39.395 38.460 0.201 0.000 1.207 234 Y HN 0.564 nan 8.280 nan 0.000 0.471 235 F N 4.126 124.228 119.950 0.253 0.000 2.456 235 F HA 0.255 4.779 4.527 -0.005 0.000 0.358 235 F C -0.395 175.630 175.800 0.375 0.000 1.095 235 F CA -0.390 57.732 58.000 0.203 0.000 1.216 235 F CB 0.199 39.271 39.000 0.120 0.000 1.125 235 F HN 0.472 nan 8.300 nan 0.000 0.549 236 H N 6.100 124.669 119.070 -0.835 0.000 2.587 236 H HA 0.107 4.660 4.556 -0.005 0.000 0.325 236 H C 0.244 174.893 175.328 -1.133 0.000 1.012 236 H CA -0.822 54.770 56.048 -0.760 0.000 1.213 236 H CB 1.269 30.849 29.762 -0.304 0.000 1.431 236 H HN 0.701 nan 8.280 nan 0.000 0.492 237 D N 1.649 121.554 120.400 -0.824 0.000 2.182 237 D HA -0.150 4.487 4.640 -0.005 0.000 0.201 237 D C 2.057 178.276 176.300 -0.134 0.000 0.986 237 D CA 1.459 55.262 54.000 -0.328 0.000 0.847 237 D CB 0.221 40.999 40.800 -0.035 0.000 0.942 237 D HN 0.572 nan 8.370 nan 0.000 0.467 238 S N 0.281 115.902 115.700 -0.132 0.000 2.383 238 S HA -0.139 4.328 4.470 -0.005 0.000 0.227 238 S C 1.562 176.167 174.600 0.008 0.000 1.026 238 S CA 0.879 59.051 58.200 -0.047 0.000 0.981 238 S CB -0.070 63.095 63.200 -0.058 0.000 0.818 238 S HN 0.048 nan 8.310 nan 0.000 0.472 239 D N 1.493 121.900 120.400 0.013 0.000 2.117 239 D HA 0.016 4.653 4.640 -0.005 0.000 0.198 239 D C 1.893 178.263 176.300 0.118 0.000 0.982 239 D CA 0.748 54.790 54.000 0.070 0.000 0.828 239 D CB -0.507 40.325 40.800 0.052 0.000 0.967 239 D HN 0.355 nan 8.370 nan 0.000 0.464 240 L N 1.073 122.339 121.223 0.070 0.000 2.046 240 L HA -0.094 4.243 4.340 -0.005 0.000 0.208 240 L C 2.107 179.083 176.870 0.177 0.000 1.077 240 L CA 1.836 56.759 54.840 0.139 0.000 0.747 240 L CB -0.806 41.363 42.059 0.183 0.000 0.896 240 L HN -0.031 nan 8.230 nan 0.000 0.432 241 A N -0.986 121.904 122.820 0.116 0.000 1.883 241 A HA -0.305 4.012 4.320 -0.005 0.000 0.217 241 A C 2.345 179.977 177.584 0.079 0.000 1.186 241 A CA 1.959 54.055 52.037 0.097 0.000 0.624 241 A CB -0.772 18.262 19.000 0.057 0.000 0.822 241 A HN 0.681 nan 8.150 nan 0.000 0.444 242 Q N -1.656 118.189 119.800 0.075 0.000 2.079 242 Q HA -0.178 4.159 4.340 -0.005 0.000 0.200 242 Q C 1.901 177.922 176.000 0.034 0.000 0.974 242 Q CA 1.704 57.526 55.803 0.032 0.000 0.840 242 Q CB -0.302 28.458 28.738 0.037 0.000 0.898 242 Q HN 0.658 nan 8.270 nan 0.000 0.430 243 F N 0.336 120.289 119.950 0.006 0.000 2.120 243 F HA -0.288 4.236 4.527 -0.005 0.000 0.300 243 F C 1.950 177.749 175.800 -0.003 0.000 1.095 243 F CA 1.422 59.468 58.000 0.076 0.000 1.249 243 F CB 0.023 39.106 39.000 0.139 0.000 0.995 243 F HN 0.176 nan 8.300 nan 0.000 0.480 244 M N -0.264 119.454 119.600 0.198 0.000 2.288 244 M HA -0.056 4.421 4.480 -0.005 0.000 0.266 244 M C 2.193 178.316 176.300 -0.295 0.000 1.072 244 M CA 1.167 56.412 55.300 -0.092 0.000 1.132 244 M CB -1.066 31.469 32.600 -0.109 0.000 1.386 244 M HN 0.124 nan 8.290 nan 0.000 0.432 245 R N 0.600 121.001 120.500 -0.166 0.000 2.092 245 R HA -0.018 4.319 4.340 -0.005 0.000 0.231 245 R C 2.017 178.133 176.300 -0.307 0.000 1.119 245 R CA 1.311 57.302 56.100 -0.181 0.000 0.970 245 R CB -0.595 29.636 30.300 -0.115 0.000 0.864 245 R HN 0.331 nan 8.270 nan 0.000 0.440 246 L N -1.210 119.737 121.223 -0.460 0.000 2.027 246 L HA -0.059 4.278 4.340 -0.005 0.000 0.206 246 L C 1.141 177.522 176.870 -0.816 0.000 1.074 246 L CA 1.202 55.562 54.840 -0.799 0.000 0.745 246 L CB -0.067 41.210 42.059 -1.304 0.000 0.898 246 L HN 0.219 nan 8.230 nan 0.000 0.433 247 F N -2.177 117.501 119.950 -0.453 0.000 2.767 247 F HA 0.268 4.793 4.527 -0.005 0.000 0.323 247 F C 1.748 177.358 175.800 -0.317 0.000 1.091 247 F CA 0.032 57.771 58.000 -0.435 0.000 1.192 247 F CB 0.132 38.682 39.000 -0.750 0.000 1.056 247 F HN -0.139 nan 8.300 nan 0.000 0.571 248 G N -0.468 108.121 108.800 -0.351 0.000 3.502 248 G HA2 0.249 4.206 3.960 -0.005 0.000 0.267 248 G HA3 0.249 4.206 3.960 -0.005 0.000 0.267 248 G C 1.682 176.162 174.900 -0.700 0.000 1.090 248 G CA 0.440 45.038 45.100 -0.836 0.000 0.795 248 G HN 0.383 nan 8.290 nan 0.000 0.535 249 G N 0.998 109.603 108.800 -0.326 0.000 2.443 249 G HA2 -0.151 3.806 3.960 -0.005 0.000 0.219 249 G HA3 -0.151 3.806 3.960 -0.005 0.000 0.219 249 G C 1.215 176.043 174.900 -0.120 0.000 1.131 249 G CA 0.460 45.459 45.100 -0.170 0.000 0.775 249 G HN 0.380 nan 8.290 nan 0.000 0.547 250 N N -0.648 117.986 118.700 -0.109 0.000 2.200 250 N HA 0.227 4.964 4.740 -0.005 0.000 0.224 250 N C -0.780 174.834 175.510 0.174 0.000 1.179 250 N CA -0.274 52.798 53.050 0.037 0.000 0.877 250 N CB 0.687 39.222 38.487 0.079 0.000 1.072 250 N HN 0.447 nan 8.380 nan 0.000 0.519 251 F N -1.326 118.681 119.950 0.095 0.000 2.591 251 F HA 0.780 5.304 4.527 -0.005 0.000 0.309 251 F C -0.278 175.627 175.800 0.174 0.000 1.098 251 F CA -2.023 56.037 58.000 0.101 0.000 0.937 251 F CB 0.535 39.582 39.000 0.079 0.000 1.250 251 F HN -0.162 nan 8.300 nan 0.000 0.447 252 A N 3.519 126.469 122.820 0.216 0.000 2.546 252 A HA 0.445 4.762 4.320 -0.005 0.000 0.243 252 A C -0.278 177.431 177.584 0.209 0.000 1.063 252 A CA 0.398 52.482 52.037 0.079 0.000 0.757 252 A CB -0.606 18.427 19.000 0.054 0.000 0.991 252 A HN 1.134 nan 8.150 nan 0.000 0.503 253 H N 0.470 119.573 119.070 0.055 0.000 3.008 253 H HA 0.571 5.125 4.556 -0.005 0.000 0.354 253 H C -1.290 174.081 175.328 0.072 0.000 1.252 253 H CA -0.937 55.179 56.048 0.112 0.000 1.117 253 H CB 0.837 30.626 29.762 0.045 0.000 1.857 253 H HN 0.637 nan 8.280 nan 0.000 0.547 254 Q N 0.074 120.013 119.800 0.233 0.000 2.245 254 Q HA 0.608 4.945 4.340 -0.005 0.000 0.256 254 Q C -0.108 176.048 176.000 0.260 0.000 0.942 254 Q CA -0.598 55.303 55.803 0.165 0.000 0.896 254 Q CB 2.160 30.973 28.738 0.124 0.000 1.272 254 Q HN 0.771 nan 8.270 nan 0.000 0.442 255 A N 1.242 124.188 122.820 0.210 0.000 2.430 255 A HA 0.247 4.564 4.320 -0.005 0.000 0.243 255 A C 0.082 177.765 177.584 0.165 0.000 1.254 255 A CA 0.102 52.265 52.037 0.210 0.000 0.914 255 A CB 0.451 19.564 19.000 0.189 0.000 0.998 255 A HN 0.521 nan 8.150 nan 0.000 0.515 256 S N -0.438 115.354 115.700 0.153 0.000 2.569 256 S HA 0.610 5.077 4.470 -0.005 0.000 0.280 256 S C -0.314 174.377 174.600 0.151 0.000 1.111 256 S CA -0.064 58.234 58.200 0.164 0.000 0.887 256 S CB 1.320 64.587 63.200 0.112 0.000 1.095 256 S HN 1.127 nan 8.310 nan 0.000 0.476 257 V N 1.079 121.092 119.914 0.165 0.000 2.881 257 V HA 0.781 4.898 4.120 -0.005 0.000 0.303 257 V C 1.454 177.561 176.094 0.022 0.000 1.070 257 V CA 0.145 62.472 62.300 0.045 0.000 1.074 257 V CB 0.217 31.950 31.823 -0.150 0.000 1.012 257 V HN 1.330 nan 8.190 nan 0.000 0.482 258 A N 2.869 125.704 122.820 0.026 0.000 2.016 258 A HA 0.243 4.560 4.320 -0.005 0.000 0.217 258 A C 1.323 178.799 177.584 -0.179 0.000 1.162 258 A CA 1.146 53.184 52.037 0.002 0.000 0.662 258 A CB -0.173 18.912 19.000 0.140 0.000 0.812 258 A HN 0.977 nan 8.150 nan 0.000 0.450 259 R N -1.567 118.740 120.500 -0.323 0.000 2.561 259 R HA 0.489 4.826 4.340 -0.005 0.000 0.266 259 R C -2.327 173.694 176.300 -0.464 0.000 1.091 259 R CA -0.394 55.367 56.100 -0.565 0.000 0.927 259 R CB 1.761 31.277 30.300 -1.306 0.000 1.240 259 R HN -0.023 nan 8.270 nan 0.000 0.449 260 V N 4.660 124.362 119.914 -0.354 0.000 2.384 260 V HA 0.427 4.544 4.120 -0.005 0.000 0.287 260 V C -0.460 175.453 176.094 -0.302 0.000 1.020 260 V CA -0.710 61.418 62.300 -0.287 0.000 0.850 260 V CB 1.684 33.449 31.823 -0.097 0.000 0.987 260 V HN 0.497 nan 8.190 nan 0.000 0.436 261 V N 4.388 124.080 119.914 -0.370 0.000 2.370 261 V HA 0.757 4.875 4.120 -0.005 0.000 0.283 261 V C 1.081 177.106 176.094 -0.115 0.000 1.023 261 V CA 0.692 62.798 62.300 -0.323 0.000 0.857 261 V CB 0.659 32.131 31.823 -0.585 0.000 0.985 261 V HN 1.160 nan 8.190 nan 0.000 0.443 262 G N 4.184 112.962 108.800 -0.037 0.000 2.195 262 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.224 262 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.224 262 G C 0.189 175.142 174.900 0.088 0.000 0.990 262 G CA 0.254 45.379 45.100 0.042 0.000 0.639 262 G HN 0.697 nan 8.290 nan 0.000 0.514 263 Q N 0.849 120.703 119.800 0.090 0.000 2.314 263 Q HA 0.616 4.953 4.340 -0.005 0.000 0.259 263 Q C -0.324 175.785 176.000 0.182 0.000 0.951 263 Q CA -0.382 55.528 55.803 0.179 0.000 0.909 263 Q CB 0.587 29.462 28.738 0.228 0.000 1.236 263 Q HN 0.464 nan 8.270 nan 0.000 0.444 264 Q N 2.286 122.224 119.800 0.230 0.000 2.337 264 Q HA 0.611 4.948 4.340 -0.005 0.000 0.266 264 Q C -0.236 175.875 176.000 0.185 0.000 1.023 264 Q CA -0.091 55.814 55.803 0.169 0.000 0.829 264 Q CB 2.138 30.962 28.738 0.143 0.000 1.306 264 Q HN 1.003 nan 8.270 nan 0.000 0.449 265 G N 2.074 110.921 108.800 0.078 0.000 2.725 265 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.220 265 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.220 265 G C -0.908 173.906 174.900 -0.143 0.000 1.357 265 G CA -0.759 44.336 45.100 -0.009 0.000 0.866 265 G HN 0.571 nan 8.290 nan 0.000 0.548 266 R N -0.340 119.998 120.500 -0.270 0.000 2.637 266 R HA 0.719 5.056 4.340 -0.005 0.000 0.291 266 R C 0.427 176.320 176.300 -0.680 0.000 0.963 266 R CA -0.035 55.827 56.100 -0.397 0.000 0.901 266 R CB 1.885 32.048 30.300 -0.228 0.000 1.160 266 R HN 1.512 nan 8.270 nan 0.000 0.457 267 G N 0.855 109.157 108.800 -0.831 0.000 2.550 267 G HA2 0.258 4.215 3.960 -0.005 0.000 0.293 267 G HA3 0.258 4.215 3.960 -0.005 0.000 0.293 267 G C -1.697 173.226 174.900 0.038 0.000 1.402 267 G CA -0.943 43.766 45.100 -0.651 0.000 0.784 267 G HN 0.446 nan 8.290 nan 0.000 0.482 268 R N 0.120 120.761 120.500 0.234 0.000 2.438 268 R HA 0.613 4.950 4.340 -0.005 0.000 0.287 268 R C 0.723 177.089 176.300 0.110 0.000 1.077 268 R CA 0.187 56.391 56.100 0.173 0.000 1.034 268 R CB 0.727 31.099 30.300 0.120 0.000 0.993 268 R HN 0.809 nan 8.270 nan 0.000 0.459 269 A N 2.559 125.235 122.820 -0.239 0.000 2.346 269 A HA 0.551 4.868 4.320 -0.005 0.000 0.252 269 A C 0.144 177.667 177.584 -0.102 0.000 1.089 269 A CA 0.245 52.067 52.037 -0.359 0.000 0.797 269 A CB 0.702 19.279 19.000 -0.706 0.000 1.047 269 A HN 0.852 nan 8.150 nan 0.000 0.494 270 G N -1.367 107.399 108.800 -0.056 0.000 2.694 270 G HA2 0.485 4.442 3.960 -0.005 0.000 0.290 270 G HA3 0.485 4.442 3.960 -0.005 0.000 0.290 270 G C 0.355 175.263 174.900 0.014 0.000 1.386 270 G CA -0.549 44.548 45.100 -0.004 0.000 0.872 270 G HN 0.525 nan 8.290 nan 0.000 0.475 271 I N -0.293 120.295 120.570 0.029 0.000 2.226 271 I HA -0.121 4.046 4.170 -0.005 0.000 0.245 271 I C 2.571 178.713 176.117 0.041 0.000 1.100 271 I CA 1.277 62.605 61.300 0.046 0.000 1.374 271 I CB 0.076 38.102 38.000 0.043 0.000 1.057 271 I HN 0.527 nan 8.210 nan 0.000 0.413 272 E N 0.793 121.009 120.200 0.026 0.000 2.106 272 E HA -0.125 4.222 4.350 -0.005 0.000 0.192 272 E C 2.119 178.732 176.600 0.020 0.000 0.984 272 E CA 1.257 57.666 56.400 0.014 0.000 0.806 272 E CB -0.253 29.455 29.700 0.013 0.000 0.750 272 E HN 0.468 nan 8.360 nan 0.000 0.458 273 A N -0.019 122.823 122.820 0.036 0.000 2.167 273 A HA 0.001 4.318 4.320 -0.005 0.000 0.214 273 A C 1.987 179.642 177.584 0.118 0.000 1.151 273 A CA 0.996 53.072 52.037 0.066 0.000 0.735 273 A CB -0.020 19.025 19.000 0.075 0.000 0.802 273 A HN 0.135 nan 8.150 nan 0.000 0.467 274 S N -0.647 115.108 115.700 0.090 0.000 2.427 274 S HA 0.016 4.483 4.470 -0.005 0.000 0.224 274 S C 1.742 176.400 174.600 0.096 0.000 1.047 274 S CA 0.719 58.982 58.200 0.106 0.000 0.953 274 S CB -0.327 62.935 63.200 0.105 0.000 0.824 274 S HN 0.468 nan 8.310 nan 0.000 0.502 275 L N 3.629 124.911 121.223 0.098 0.000 1.989 275 L HA -0.175 4.162 4.340 -0.005 0.000 0.211 275 L C 2.021 178.950 176.870 0.098 0.000 1.071 275 L CA 2.327 57.239 54.840 0.119 0.000 0.749 275 L CB -0.875 41.188 42.059 0.006 0.000 0.890 275 L HN 0.355 nan 8.230 nan 0.000 0.431 276 D N -1.030 119.389 120.400 0.032 0.000 2.097 276 D HA -0.200 4.437 4.640 -0.005 0.000 0.195 276 D C 2.182 178.497 176.300 0.024 0.000 0.989 276 D CA 1.857 55.861 54.000 0.006 0.000 0.827 276 D CB -1.145 39.632 40.800 -0.038 0.000 0.966 276 D HN 0.316 nan 8.370 nan 0.000 0.456 277 V N 0.292 120.219 119.914 0.022 0.000 2.379 277 V HA -0.193 3.925 4.120 -0.005 0.000 0.245 277 V C 2.404 178.465 176.094 -0.055 0.000 1.044 277 V CA 1.846 64.147 62.300 0.003 0.000 1.036 277 V CB -0.495 31.356 31.823 0.047 0.000 0.664 277 V HN 0.114 nan 8.190 nan 0.000 0.453 278 Q N -1.740 117.957 119.800 -0.173 0.000 2.364 278 Q HA -0.152 4.185 4.340 -0.005 0.000 0.209 278 Q C 1.539 177.151 176.000 -0.647 0.000 0.977 278 Q CA 1.993 57.386 55.803 -0.684 0.000 0.885 278 Q CB 0.019 28.022 28.738 -1.225 0.000 0.941 278 Q HN 0.840 nan 8.270 nan 0.000 0.464 279 Y N -2.279 117.924 120.300 -0.162 0.000 2.452 279 Y HA 0.038 4.585 4.550 -0.005 0.000 0.262 279 Y C 1.366 177.284 175.900 0.029 0.000 1.089 279 Y CA -0.295 57.814 58.100 0.015 0.000 1.262 279 Y CB 0.361 38.879 38.460 0.098 0.000 1.236 279 Y HN 0.041 nan 8.280 nan 0.000 0.512 280 L N 0.341 121.642 121.223 0.130 0.000 2.042 280 L HA -0.199 4.138 4.340 -0.005 0.000 0.210 280 L C 1.688 178.591 176.870 0.055 0.000 1.076 280 L CA 2.081 56.964 54.840 0.071 0.000 0.749 280 L CB -0.502 41.577 42.059 0.033 0.000 0.893 280 L HN 0.205 nan 8.230 nan 0.000 0.432 281 M N -1.885 117.743 119.600 0.047 0.000 2.618 281 M HA -0.003 4.474 4.480 -0.005 0.000 0.240 281 M C 1.657 178.040 176.300 0.139 0.000 1.123 281 M CA 0.393 55.743 55.300 0.084 0.000 1.060 281 M CB -0.001 32.651 32.600 0.087 0.000 1.535 281 M HN 0.192 nan 8.290 nan 0.000 0.507 282 S N 0.240 115.993 115.700 0.088 0.000 2.468 282 S HA 0.178 4.645 4.470 -0.005 0.000 0.226 282 S C 2.012 176.513 174.600 -0.165 0.000 1.051 282 S CA 0.674 58.885 58.200 0.018 0.000 0.943 282 S CB 0.165 63.422 63.200 0.094 0.000 0.810 282 S HN 0.514 nan 8.310 nan 0.000 0.509 283 A N 1.390 124.196 122.820 -0.023 0.000 1.903 283 A HA 0.376 4.693 4.320 -0.005 0.000 0.213 283 A C 1.496 179.025 177.584 -0.092 0.000 1.185 283 A CA 0.993 52.998 52.037 -0.053 0.000 0.628 283 A CB -0.629 18.393 19.000 0.036 0.000 0.830 283 A HN 0.429 nan 8.150 nan 0.000 0.446 284 G N 0.255 109.035 108.800 -0.033 0.000 3.288 284 G HA2 0.532 4.489 3.960 -0.005 0.000 0.337 284 G HA3 0.532 4.489 3.960 -0.005 0.000 0.337 284 G C -0.014 174.898 174.900 0.019 0.000 1.142 284 G CA 0.392 45.481 45.100 -0.019 0.000 1.304 284 G HN 0.614 nan 8.290 nan 0.000 0.475 285 A N 2.139 124.964 122.820 0.008 0.000 2.340 285 A HA 0.581 4.898 4.320 -0.005 0.000 0.268 285 A C 1.089 178.756 177.584 0.138 0.000 1.100 285 A CA -0.367 51.746 52.037 0.128 0.000 0.803 285 A CB 0.144 19.247 19.000 0.172 0.000 1.043 285 A HN 0.913 nan 8.150 nan 0.000 0.488 286 N N -1.104 117.703 118.700 0.179 0.000 2.721 286 N HA -0.156 4.581 4.740 -0.005 0.000 0.249 286 N C -0.866 174.693 175.510 0.081 0.000 1.072 286 N CA 1.151 54.272 53.050 0.119 0.000 0.710 286 N CB -1.434 37.112 38.487 0.098 0.000 0.993 286 N HN 0.611 nan 8.380 nan 0.000 0.547 287 I N 0.022 120.640 120.570 0.080 0.000 2.465 287 I HA 0.227 4.394 4.170 -0.005 0.000 0.291 287 I C 0.414 176.566 176.117 0.060 0.000 1.014 287 I CA -0.847 60.488 61.300 0.058 0.000 1.093 287 I CB 1.839 39.865 38.000 0.045 0.000 1.267 287 I HN -0.042 nan 8.210 nan 0.000 0.431 288 S N 3.457 119.191 115.700 0.057 0.000 2.575 288 S HA 0.086 4.553 4.470 -0.005 0.000 0.295 288 S C -0.020 174.629 174.600 0.080 0.000 1.267 288 S CA 0.179 58.430 58.200 0.084 0.000 1.074 288 S CB -0.026 63.231 63.200 0.096 0.000 0.829 288 S HN 0.582 nan 8.310 nan 0.000 0.497 289 T N 4.244 118.878 114.554 0.135 0.000 2.841 289 T HA 0.399 4.746 4.350 -0.005 0.000 0.283 289 T C -0.810 174.069 174.700 0.297 0.000 1.000 289 T CA -0.543 61.631 62.100 0.123 0.000 0.977 289 T CB 0.508 69.411 68.868 0.059 0.000 0.979 289 T HN 0.503 nan 8.240 nan 0.000 0.446 290 W N 1.915 123.139 121.300 -0.126 0.000 2.448 290 W HA 0.655 5.312 4.660 -0.005 0.000 0.339 290 W C -0.566 175.824 176.519 -0.214 0.000 1.124 290 W CA -1.132 56.101 57.345 -0.187 0.000 1.262 290 W CB 0.507 29.857 29.460 -0.184 0.000 1.251 290 W HN 0.263 nan 8.180 nan 0.000 0.597 291 V N 3.096 122.923 119.914 -0.145 0.000 2.495 291 V HA 0.335 4.452 4.120 -0.005 0.000 0.298 291 V C -1.179 174.793 176.094 -0.203 0.000 1.031 291 V CA -1.209 60.966 62.300 -0.208 0.000 0.871 291 V CB 0.936 32.422 31.823 -0.562 0.000 0.988 291 V HN 0.269 nan 8.190 nan 0.000 0.432 292 Y N 2.341 122.604 120.300 -0.063 0.000 2.331 292 Y HA 0.637 5.184 4.550 -0.005 0.000 0.338 292 Y C 0.530 176.338 175.900 -0.154 0.000 0.992 292 Y CA -0.347 57.732 58.100 -0.035 0.000 1.121 292 Y CB 2.077 40.563 38.460 0.042 0.000 1.184 292 Y HN 0.604 nan 8.280 nan 0.000 0.469 293 S N 2.286 118.010 115.700 0.040 0.000 2.441 293 S HA 0.183 4.650 4.470 -0.005 0.000 0.187 293 S C -1.020 173.606 174.600 0.043 0.000 0.917 293 S CA -0.507 57.691 58.200 -0.003 0.000 1.078 293 S CB 0.199 63.418 63.200 0.032 0.000 1.379 293 S HN 0.490 nan 8.310 nan 0.000 0.399 294 S N 5.301 121.046 115.700 0.075 0.000 2.257 294 S HA 0.453 4.921 4.470 -0.005 0.000 0.191 294 S C -1.940 172.798 174.600 0.229 0.000 1.386 294 S CA -1.429 56.872 58.200 0.168 0.000 1.233 294 S CB 0.057 63.345 63.200 0.146 0.000 1.138 294 S HN 0.709 nan 8.310 nan 0.000 0.483 295 P HA 0.341 nan 4.420 nan 0.000 0.278 295 P C 0.612 177.899 177.300 -0.022 0.000 1.270 295 P CA 0.660 63.658 63.100 -0.171 0.000 0.800 295 P CB -0.090 31.101 31.700 -0.849 0.000 1.142 296 G N -0.791 107.973 108.800 -0.059 0.000 2.758 296 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.686 296 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.686 296 G C -0.771 173.956 174.900 -0.288 0.000 1.389 296 G CA -0.745 44.359 45.100 0.008 0.000 0.845 296 G HN 0.674 nan 8.290 nan 0.000 0.572 297 R N 1.510 121.931 120.500 -0.132 0.000 2.351 297 R HA 0.350 4.687 4.340 -0.005 0.000 0.318 297 R C 0.156 176.364 176.300 -0.152 0.000 1.055 297 R CA 0.261 56.272 56.100 -0.148 0.000 0.968 297 R CB 0.159 30.456 30.300 -0.005 0.000 0.974 297 R HN 0.734 nan 8.270 nan 0.000 0.439 298 H N 1.291 120.452 119.070 0.152 0.000 2.661 298 H HA 0.118 4.671 4.556 -0.005 0.000 0.243 298 H C -0.468 174.923 175.328 0.106 0.000 1.410 298 H CA -0.419 55.710 56.048 0.135 0.000 1.509 298 H CB 0.296 30.123 29.762 0.109 0.000 1.761 298 H HN 0.606 nan 8.280 nan 0.000 0.576 299 E N 1.721 122.032 120.200 0.185 0.000 2.274 299 E HA -0.044 4.303 4.350 -0.005 0.000 0.194 299 E C 1.928 178.592 176.600 0.105 0.000 0.996 299 E CA 0.909 57.409 56.400 0.168 0.000 0.840 299 E CB 0.266 30.088 29.700 0.204 0.000 0.772 299 E HN 0.773 nan 8.360 nan 0.000 0.491 300 G N 0.465 109.288 108.800 0.039 0.000 2.838 300 G HA2 -0.066 3.891 3.960 -0.005 0.000 0.210 300 G HA3 -0.066 3.891 3.960 -0.005 0.000 0.210 300 G C 0.462 175.326 174.900 -0.061 0.000 1.153 300 G CA -0.275 44.788 45.100 -0.062 0.000 0.778 300 G HN 0.104 nan 8.290 nan 0.000 0.539 301 Q N 1.049 120.856 119.800 0.011 0.000 2.314 301 Q HA 0.245 4.582 4.340 -0.005 0.000 0.258 301 Q C -0.659 175.376 176.000 0.059 0.000 0.954 301 Q CA 0.083 55.894 55.803 0.014 0.000 0.890 301 Q CB 1.112 29.860 28.738 0.017 0.000 1.210 301 Q HN 0.415 nan 8.270 nan 0.000 0.410 302 E N 4.051 124.268 120.200 0.028 0.000 2.194 302 E HA 0.051 4.398 4.350 -0.005 0.000 0.284 302 E C -1.822 174.824 176.600 0.076 0.000 1.035 302 E CA -1.861 54.576 56.400 0.061 0.000 0.836 302 E CB 0.754 30.486 29.700 0.053 0.000 1.070 302 E HN 0.387 nan 8.360 nan 0.000 0.401 303 P HA -0.204 nan 4.420 nan 0.000 0.215 303 P C 0.906 178.220 177.300 0.023 0.000 1.157 303 P CA 1.028 64.246 63.100 0.197 0.000 0.874 303 P CB 0.096 32.022 31.700 0.376 0.000 0.790 304 F N -0.096 119.545 119.950 -0.516 0.000 2.113 304 F HA -0.108 4.416 4.527 -0.005 0.000 0.297 304 F C 2.041 177.720 175.800 -0.202 0.000 1.103 304 F CA 0.947 58.408 58.000 -0.899 0.000 1.248 304 F CB -1.010 37.082 39.000 -1.513 0.000 0.999 304 F HN -0.257 nan 8.300 nan 0.000 0.475 305 L N 0.810 122.012 121.223 -0.035 0.000 2.042 305 L HA -0.222 4.115 4.340 -0.005 0.000 0.210 305 L C 2.460 179.202 176.870 -0.212 0.000 1.076 305 L CA 2.208 57.024 54.840 -0.040 0.000 0.749 305 L CB -1.273 40.879 42.059 0.156 0.000 0.893 305 L HN 0.354 nan 8.230 nan 0.000 0.432 306 Q N -1.162 118.564 119.800 -0.124 0.000 2.077 306 Q HA -0.309 4.028 4.340 -0.005 0.000 0.206 306 Q C 2.068 178.002 176.000 -0.109 0.000 0.989 306 Q CA 2.672 58.400 55.803 -0.126 0.000 0.853 306 Q CB -0.910 27.795 28.738 -0.055 0.000 0.907 306 Q HN 0.618 nan 8.270 nan 0.000 0.418 307 W N 0.008 121.190 121.300 -0.197 0.000 2.335 307 W HA -0.214 4.443 4.660 -0.005 0.000 0.311 307 W C 1.760 178.077 176.519 -0.337 0.000 1.213 307 W CA 1.726 58.968 57.345 -0.172 0.000 1.274 307 W CB -0.659 28.787 29.460 -0.024 0.000 1.148 307 W HN 0.350 nan 8.180 nan 0.000 0.498 308 L N 1.163 122.060 121.223 -0.543 0.000 2.017 308 L HA -0.198 4.140 4.340 -0.005 0.000 0.208 308 L C 2.757 179.254 176.870 -0.622 0.000 1.073 308 L CA 2.675 57.060 54.840 -0.758 0.000 0.745 308 L CB -1.027 40.712 42.059 -0.532 0.000 0.894 308 L HN 0.267 nan 8.230 nan 0.000 0.432 309 M N -1.612 117.612 119.600 -0.627 0.000 2.202 309 M HA -0.241 4.236 4.480 -0.005 0.000 0.262 309 M C 1.820 177.890 176.300 -0.382 0.000 1.063 309 M CA 1.858 56.722 55.300 -0.726 0.000 1.097 309 M CB -0.113 31.922 32.600 -0.941 0.000 1.382 309 M HN 0.343 nan 8.290 nan 0.000 0.413 310 L N -0.179 120.826 121.223 -0.364 0.000 2.375 310 L HA -0.042 4.295 4.340 -0.005 0.000 0.215 310 L C 2.190 178.922 176.870 -0.230 0.000 1.108 310 L CA 0.102 54.808 54.840 -0.223 0.000 0.830 310 L CB -0.360 41.618 42.059 -0.134 0.000 0.959 310 L HN 0.391 nan 8.230 nan 0.000 0.457 311 L N -0.563 120.399 121.223 -0.436 0.000 2.089 311 L HA -0.267 4.070 4.340 -0.005 0.000 0.213 311 L C 2.016 178.756 176.870 -0.216 0.000 1.079 311 L CA 1.263 55.857 54.840 -0.409 0.000 0.758 311 L CB -0.470 41.196 42.059 -0.654 0.000 0.891 311 L HN 0.174 nan 8.230 nan 0.000 0.433 312 S N -0.745 114.853 115.700 -0.170 0.000 2.710 312 S HA 0.019 4.486 4.470 -0.005 0.000 0.224 312 S C 0.984 175.566 174.600 -0.029 0.000 0.948 312 S CA 0.119 58.277 58.200 -0.070 0.000 0.949 312 S CB -0.251 62.951 63.200 0.002 0.000 0.778 312 S HN 0.354 nan 8.310 nan 0.000 0.498 313 N N 1.740 120.415 118.700 -0.041 0.000 2.160 313 N HA 0.127 4.864 4.740 -0.005 0.000 0.226 313 N C -0.626 174.887 175.510 0.005 0.000 1.256 313 N CA 0.048 53.091 53.050 -0.011 0.000 0.890 313 N CB 0.693 39.168 38.487 -0.020 0.000 1.116 313 N HN 0.283 nan 8.380 nan 0.000 0.517 314 E N -1.139 119.068 120.200 0.012 0.000 2.287 314 E HA 0.323 4.670 4.350 -0.005 0.000 0.274 314 E C -0.090 176.534 176.600 0.041 0.000 0.896 314 E CA -0.398 56.031 56.400 0.048 0.000 0.788 314 E CB 1.039 30.803 29.700 0.107 0.000 1.244 314 E HN -0.090 nan 8.360 nan 0.000 0.408 315 S N 3.134 118.859 115.700 0.042 0.000 2.377 315 S HA 0.165 4.632 4.470 -0.005 0.000 0.223 315 S C 0.717 175.336 174.600 0.031 0.000 1.030 315 S CA 0.779 58.997 58.200 0.029 0.000 0.970 315 S CB -0.073 63.146 63.200 0.030 0.000 0.830 315 S HN 0.618 nan 8.310 nan 0.000 0.473 316 A N 1.928 124.779 122.820 0.052 0.000 2.294 316 A HA 0.659 4.976 4.320 -0.005 0.000 0.316 316 A C -0.622 176.966 177.584 0.007 0.000 1.359 316 A CA -0.512 51.545 52.037 0.033 0.000 0.956 316 A CB -0.019 19.015 19.000 0.056 0.000 1.155 316 A HN 0.533 nan 8.150 nan 0.000 0.544 317 L N 2.942 124.108 121.223 -0.094 0.000 2.319 317 L HA 0.486 4.823 4.340 -0.005 0.000 0.267 317 L C -2.208 174.382 176.870 -0.467 0.000 1.011 317 L CA -2.484 52.217 54.840 -0.232 0.000 0.818 317 L CB 2.006 44.048 42.059 -0.029 0.000 1.316 317 L HN 0.380 nan 8.230 nan 0.000 0.432 318 P HA -0.049 nan 4.420 nan 0.000 0.264 318 P C 0.043 177.090 177.300 -0.421 0.000 1.179 318 P CA 0.086 62.714 63.100 -0.787 0.000 0.763 318 P CB 0.323 31.422 31.700 -1.002 0.000 0.806 319 H N 0.172 119.139 119.070 -0.171 0.000 2.428 319 H HA 0.055 4.608 4.556 -0.005 0.000 0.296 319 H C 0.471 175.808 175.328 0.014 0.000 1.062 319 H CA 0.911 56.927 56.048 -0.053 0.000 1.350 319 H CB 0.078 29.815 29.762 -0.041 0.000 1.403 319 H HN 0.096 nan 8.280 nan 0.000 0.533 320 V N 2.687 122.614 119.914 0.023 0.000 2.409 320 V HA 0.193 4.310 4.120 -0.005 0.000 0.291 320 V C -0.302 175.727 176.094 -0.108 0.000 1.020 320 V CA -0.692 61.639 62.300 0.051 0.000 0.848 320 V CB 2.052 33.904 31.823 0.047 0.000 0.990 320 V HN 0.342 nan 8.190 nan 0.000 0.430 321 H N 2.685 121.770 119.070 0.024 0.000 2.589 321 H HA 0.455 5.008 4.556 -0.005 0.000 0.335 321 H C -0.220 175.082 175.328 -0.043 0.000 1.019 321 H CA -0.475 55.584 56.048 0.020 0.000 1.213 321 H CB 2.249 32.069 29.762 0.095 0.000 1.472 321 H HN 0.669 nan 8.280 nan 0.000 0.508 322 T N 0.537 115.087 114.554 -0.007 0.000 2.758 322 T HA 0.495 4.842 4.350 -0.005 0.000 0.285 322 T C -0.121 174.440 174.700 -0.232 0.000 0.981 322 T CA -0.769 61.272 62.100 -0.099 0.000 0.965 322 T CB 0.683 69.522 68.868 -0.048 0.000 0.927 322 T HN 0.197 nan 8.240 nan 0.000 0.448 323 V N 3.055 122.715 119.914 -0.423 0.000 2.483 323 V HA 0.586 4.703 4.120 -0.005 0.000 0.297 323 V C 0.223 176.094 176.094 -0.372 0.000 1.027 323 V CA -0.904 61.043 62.300 -0.589 0.000 0.855 323 V CB 1.733 32.811 31.823 -1.241 0.000 0.995 323 V HN 0.998 nan 8.190 nan 0.000 0.424 324 S N 5.123 120.754 115.700 -0.116 0.000 2.434 324 S HA 0.674 5.141 4.470 -0.005 0.000 0.318 324 S C -1.196 173.581 174.600 0.294 0.000 1.062 324 S CA -0.280 57.949 58.200 0.048 0.000 1.116 324 S CB -0.189 63.020 63.200 0.014 0.000 0.977 324 S HN 0.692 nan 8.310 nan 0.000 0.480 325 Y N 2.246 122.637 120.300 0.153 0.000 2.480 325 Y HA 0.560 5.107 4.550 -0.005 0.000 0.329 325 Y C -0.426 175.460 175.900 -0.023 0.000 1.127 325 Y CA -0.375 57.777 58.100 0.086 0.000 1.037 325 Y CB 1.451 39.896 38.460 -0.025 0.000 1.320 325 Y HN 0.701 nan 8.280 nan 0.000 0.446 326 G N 4.508 112.949 108.800 -0.599 0.000 2.746 326 G HA2 0.480 4.437 3.960 -0.005 0.000 0.297 326 G HA3 0.480 4.437 3.960 -0.005 0.000 0.297 326 G C -2.119 172.475 174.900 -0.509 0.000 1.426 326 G CA -0.824 44.027 45.100 -0.415 0.000 0.989 326 G HN 0.501 nan 8.290 nan 0.000 0.520 327 D N 0.640 120.882 120.400 -0.264 0.000 2.340 327 D HA 0.279 4.916 4.640 -0.005 0.000 0.243 327 D C -0.733 175.515 176.300 -0.087 0.000 0.988 327 D CA -0.489 53.415 54.000 -0.159 0.000 0.959 327 D CB 1.868 42.616 40.800 -0.087 0.000 1.226 327 D HN 0.250 nan 8.370 nan 0.000 0.509 328 D N 1.356 121.688 120.400 -0.114 0.000 2.520 328 D HA -0.073 4.564 4.640 -0.005 0.000 0.243 328 D C 1.141 177.363 176.300 -0.130 0.000 1.160 328 D CA 0.504 54.420 54.000 -0.140 0.000 0.877 328 D CB 1.007 41.666 40.800 -0.235 0.000 1.150 328 D HN 0.475 nan 8.370 nan 0.000 0.494 329 E N 2.093 122.244 120.200 -0.080 0.000 2.118 329 E HA -0.214 4.133 4.350 -0.005 0.000 0.195 329 E C 1.069 177.571 176.600 -0.163 0.000 0.992 329 E CA 1.087 57.458 56.400 -0.049 0.000 0.804 329 E CB 0.256 29.985 29.700 0.049 0.000 0.741 329 E HN 0.549 nan 8.360 nan 0.000 0.458 330 D N -0.139 120.077 120.400 -0.307 0.000 2.348 330 D HA -0.111 4.526 4.640 -0.005 0.000 0.216 330 D C 1.799 177.945 176.300 -0.257 0.000 0.970 330 D CA 1.038 54.825 54.000 -0.354 0.000 0.889 330 D CB 0.008 40.283 40.800 -0.876 0.000 0.912 330 D HN 0.174 nan 8.370 nan 0.000 0.524 331 S N 0.091 115.646 115.700 -0.241 0.000 2.496 331 S HA 0.042 4.509 4.470 -0.005 0.000 0.224 331 S C 1.131 175.646 174.600 -0.141 0.000 0.996 331 S CA -0.360 57.730 58.200 -0.182 0.000 0.927 331 S CB -0.400 62.694 63.200 -0.176 0.000 0.774 331 S HN 0.176 nan 8.310 nan 0.000 0.524 332 L N 2.912 124.057 121.223 -0.130 0.000 2.357 332 L HA 0.437 4.774 4.340 -0.005 0.000 0.273 332 L C 0.681 177.493 176.870 -0.096 0.000 1.080 332 L CA -0.767 54.010 54.840 -0.105 0.000 0.803 332 L CB 1.303 43.334 42.059 -0.045 0.000 1.174 332 L HN 0.254 nan 8.230 nan 0.000 0.443 333 S N 0.195 115.848 115.700 -0.078 0.000 2.572 333 S HA -0.007 4.460 4.470 -0.005 0.000 0.279 333 S C 1.181 175.747 174.600 -0.056 0.000 1.341 333 S CA -0.084 58.083 58.200 -0.054 0.000 1.043 333 S CB 1.440 64.621 63.200 -0.032 0.000 0.887 333 S HN 0.705 nan 8.310 nan 0.000 0.516 334 S N 2.702 118.368 115.700 -0.058 0.000 2.365 334 S HA -0.182 4.285 4.470 -0.005 0.000 0.225 334 S C 2.178 176.765 174.600 -0.022 0.000 1.039 334 S CA 1.575 59.733 58.200 -0.070 0.000 1.033 334 S CB -1.275 61.893 63.200 -0.054 0.000 0.887 334 S HN 1.057 nan 8.310 nan 0.000 0.447 335 A N 0.135 122.977 122.820 0.036 0.000 1.892 335 A HA -0.146 4.171 4.320 -0.005 0.000 0.218 335 A C 2.087 179.737 177.584 0.110 0.000 1.188 335 A CA 2.046 54.160 52.037 0.129 0.000 0.631 335 A CB -1.312 17.824 19.000 0.226 0.000 0.822 335 A HN 0.805 nan 8.150 nan 0.000 0.447 336 Y N -0.383 119.774 120.300 -0.239 0.000 2.153 336 Y HA -0.068 4.479 4.550 -0.005 0.000 0.289 336 Y C 2.094 177.911 175.900 -0.139 0.000 1.127 336 Y CA 1.544 59.368 58.100 -0.460 0.000 1.131 336 Y CB -0.304 37.793 38.460 -0.605 0.000 0.995 336 Y HN 0.274 nan 8.280 nan 0.000 0.505 337 I N -0.025 120.424 120.570 -0.201 0.000 2.226 337 I HA -0.333 3.834 4.170 -0.005 0.000 0.245 337 I C 2.055 178.098 176.117 -0.123 0.000 1.100 337 I CA 1.422 62.461 61.300 -0.434 0.000 1.374 337 I CB -0.205 37.442 38.000 -0.588 0.000 1.057 337 I HN 0.365 nan 8.210 nan 0.000 0.413 338 Q N 0.130 119.921 119.800 -0.016 0.000 2.079 338 Q HA -0.241 4.096 4.340 -0.005 0.000 0.200 338 Q C 2.257 178.335 176.000 0.131 0.000 0.974 338 Q CA 1.346 57.226 55.803 0.128 0.000 0.840 338 Q CB -0.443 28.343 28.738 0.080 0.000 0.898 338 Q HN 0.386 nan 8.270 nan 0.000 0.430 339 R N 0.666 121.234 120.500 0.115 0.000 2.075 339 R HA -0.057 4.280 4.340 -0.005 0.000 0.232 339 R C 2.130 178.507 176.300 0.130 0.000 1.126 339 R CA 1.130 57.326 56.100 0.160 0.000 0.963 339 R CB -0.768 29.750 30.300 0.364 0.000 0.858 339 R HN 0.055 nan 8.270 nan 0.000 0.435 340 V N 1.530 121.474 119.914 0.049 0.000 2.392 340 V HA -0.245 3.872 4.120 -0.005 0.000 0.249 340 V C 2.072 178.266 176.094 0.165 0.000 1.059 340 V CA 2.172 64.535 62.300 0.105 0.000 1.051 340 V CB -0.863 31.000 31.823 0.068 0.000 0.658 340 V HN 0.487 nan 8.190 nan 0.000 0.455 341 N N 0.043 118.875 118.700 0.220 0.000 2.166 341 N HA -0.165 4.572 4.740 -0.005 0.000 0.186 341 N C 1.738 177.223 175.510 -0.041 0.000 1.019 341 N CA 1.974 55.094 53.050 0.116 0.000 0.856 341 N CB -0.224 38.356 38.487 0.156 0.000 0.993 341 N HN 0.461 nan 8.380 nan 0.000 0.426 342 T N 0.449 114.996 114.554 -0.011 0.000 2.821 342 T HA -0.055 4.292 4.350 -0.005 0.000 0.267 342 T C 1.341 175.973 174.700 -0.113 0.000 1.046 342 T CA 0.913 62.958 62.100 -0.092 0.000 1.139 342 T CB -0.164 68.684 68.868 -0.034 0.000 0.871 342 T HN 0.265 nan 8.240 nan 0.000 0.454 343 E N 1.268 121.448 120.200 -0.033 0.000 2.106 343 E HA 0.020 4.367 4.350 -0.005 0.000 0.192 343 E C 2.286 178.822 176.600 -0.107 0.000 0.984 343 E CA 0.651 57.031 56.400 -0.032 0.000 0.806 343 E CB -0.419 29.313 29.700 0.054 0.000 0.750 343 E HN 0.482 nan 8.360 nan 0.000 0.458 344 L N 0.086 121.246 121.223 -0.105 0.000 2.141 344 L HA -0.109 4.228 4.340 -0.005 0.000 0.209 344 L C 2.651 179.339 176.870 -0.303 0.000 1.094 344 L CA 0.834 55.588 54.840 -0.144 0.000 0.763 344 L CB -0.427 41.573 42.059 -0.099 0.000 0.908 344 L HN 0.118 nan 8.230 nan 0.000 0.437 345 M N -0.266 119.048 119.600 -0.477 0.000 2.086 345 M HA -0.218 4.259 4.480 -0.005 0.000 0.261 345 M C 2.312 178.403 176.300 -0.348 0.000 1.067 345 M CA 1.826 56.720 55.300 -0.676 0.000 1.116 345 M CB -0.387 31.763 32.600 -0.749 0.000 1.348 345 M HN 0.140 nan 8.290 nan 0.000 0.407 346 K N 0.387 120.644 120.400 -0.239 0.000 2.074 346 K HA -0.151 4.166 4.320 -0.005 0.000 0.209 346 K C 2.040 178.548 176.600 -0.153 0.000 1.048 346 K CA 1.689 57.881 56.287 -0.157 0.000 0.926 346 K CB -0.345 32.084 32.500 -0.118 0.000 0.713 346 K HN 0.312 nan 8.250 nan 0.000 0.444 347 A N 1.259 123.973 122.820 -0.178 0.000 1.933 347 A HA -0.090 4.227 4.320 -0.005 0.000 0.218 347 A C 2.333 179.824 177.584 -0.156 0.000 1.175 347 A CA 1.764 53.695 52.037 -0.177 0.000 0.628 347 A CB -0.632 18.252 19.000 -0.193 0.000 0.814 347 A HN 0.345 nan 8.150 nan 0.000 0.444 348 A N -0.196 122.524 122.820 -0.167 0.000 1.930 348 A HA 0.233 4.550 4.320 -0.005 0.000 0.217 348 A C 2.433 179.987 177.584 -0.050 0.000 1.175 348 A CA 1.740 53.712 52.037 -0.107 0.000 0.627 348 A CB -0.860 18.007 19.000 -0.221 0.000 0.815 348 A HN 1.021 nan 8.150 nan 0.000 0.443 349 A N -0.081 122.703 122.820 -0.060 0.000 2.019 349 A HA -0.127 4.190 4.320 -0.005 0.000 0.219 349 A C 2.108 179.709 177.584 0.029 0.000 1.164 349 A CA 1.369 53.417 52.037 0.019 0.000 0.644 349 A CB -0.357 18.635 19.000 -0.013 0.000 0.805 349 A HN 0.549 nan 8.150 nan 0.000 0.449 350 R N -1.408 119.046 120.500 -0.076 0.000 2.310 350 R HA 0.237 4.574 4.340 -0.005 0.000 0.202 350 R C 1.109 177.221 176.300 -0.313 0.000 0.933 350 R CA 0.475 56.521 56.100 -0.090 0.000 1.054 350 R CB -0.016 30.234 30.300 -0.084 0.000 0.985 350 R HN 0.635 nan 8.270 nan 0.000 0.489 351 G N 1.488 109.879 108.800 -0.682 0.000 2.160 351 G HA2 -0.263 3.695 3.960 -0.005 0.000 0.244 351 G HA3 -0.263 3.695 3.960 -0.005 0.000 0.244 351 G C -0.029 174.569 174.900 -0.502 0.000 1.022 351 G CA -0.248 44.036 45.100 -1.361 0.000 0.741 351 G HN 0.157 nan 8.290 nan 0.000 0.508 352 L N 0.850 121.930 121.223 -0.238 0.000 2.326 352 L HA 0.476 4.813 4.340 -0.005 0.000 0.278 352 L C 0.610 177.491 176.870 0.017 0.000 1.092 352 L CA -0.384 54.423 54.840 -0.054 0.000 0.810 352 L CB 1.280 43.289 42.059 -0.084 0.000 1.153 352 L HN 0.099 nan 8.230 nan 0.000 0.439 353 T N 4.316 118.936 114.554 0.109 0.000 2.738 353 T HA 0.440 4.787 4.350 -0.005 0.000 0.298 353 T C -0.260 174.553 174.700 0.188 0.000 0.962 353 T CA -0.405 61.789 62.100 0.156 0.000 0.972 353 T CB 0.570 69.530 68.868 0.153 0.000 0.928 353 T HN 0.096 nan 8.240 nan 0.000 0.474 354 L N 4.785 126.121 121.223 0.189 0.000 2.287 354 L HA 0.529 4.866 4.340 -0.005 0.000 0.287 354 L C -0.563 176.429 176.870 0.204 0.000 1.022 354 L CA -0.371 54.590 54.840 0.202 0.000 0.814 354 L CB 0.991 43.204 42.059 0.256 0.000 1.217 354 L HN 0.507 nan 8.230 nan 0.000 0.420 355 L N 4.294 125.572 121.223 0.091 0.000 2.317 355 L HA 0.583 4.920 4.340 -0.005 0.000 0.281 355 L C -0.756 176.041 176.870 -0.122 0.000 1.024 355 L CA -0.017 54.860 54.840 0.062 0.000 0.810 355 L CB 1.261 43.349 42.059 0.048 0.000 1.240 355 L HN 0.257 nan 8.230 nan 0.000 0.427 356 F N 1.038 120.983 119.950 -0.008 0.000 2.540 356 F HA 0.695 5.219 4.527 -0.005 0.000 0.317 356 F C 0.397 176.161 175.800 -0.059 0.000 1.104 356 F CA -0.883 57.091 58.000 -0.042 0.000 0.913 356 F CB 1.818 40.759 39.000 -0.097 0.000 1.170 356 F HN 0.516 nan 8.300 nan 0.000 0.450 357 A N 1.360 124.229 122.820 0.082 0.000 2.511 357 A HA 0.287 4.604 4.320 -0.005 0.000 0.242 357 A C 1.156 178.770 177.584 0.051 0.000 1.069 357 A CA 0.430 52.490 52.037 0.038 0.000 0.763 357 A CB 0.046 19.048 19.000 0.004 0.000 1.001 357 A HN 0.967 nan 8.150 nan 0.000 0.498 358 S N 2.191 117.919 115.700 0.048 0.000 2.481 358 S HA 0.402 4.869 4.470 -0.005 0.000 0.231 358 S C 1.001 175.672 174.600 0.119 0.000 0.996 358 S CA 0.746 59.008 58.200 0.102 0.000 0.942 358 S CB -0.723 62.587 63.200 0.184 0.000 0.768 358 S HN 2.656 nan 8.310 nan 0.000 0.520 359 G N 0.135 108.967 108.800 0.052 0.000 2.440 359 G HA2 0.108 4.065 3.960 -0.005 0.000 0.684 359 G HA3 0.108 4.065 3.960 -0.005 0.000 0.684 359 G C -1.175 173.728 174.900 0.004 0.000 1.309 359 G CA -0.177 44.940 45.100 0.029 0.000 0.931 359 G HN 0.130 nan 8.290 nan 0.000 0.612 360 D N -0.330 120.059 120.400 -0.018 0.000 2.501 360 D HA 0.353 4.990 4.640 -0.005 0.000 0.224 360 D C 1.263 177.541 176.300 -0.037 0.000 1.202 360 D CA 0.543 54.520 54.000 -0.039 0.000 0.829 360 D CB 0.805 41.578 40.800 -0.045 0.000 1.023 360 D HN 0.273 nan 8.370 nan 0.000 0.499 361 S N -0.070 115.609 115.700 -0.034 0.000 2.741 361 S HA 0.481 4.948 4.470 -0.005 0.000 0.247 361 S C 1.088 175.622 174.600 -0.109 0.000 1.050 361 S CA -0.111 58.061 58.200 -0.046 0.000 1.025 361 S CB 1.037 64.218 63.200 -0.033 0.000 0.897 361 S HN 0.435 nan 8.310 nan 0.000 0.508 362 G N 2.586 111.304 108.800 -0.136 0.000 2.596 362 G HA2 -0.311 3.647 3.960 -0.005 0.000 0.295 362 G HA3 -0.311 3.647 3.960 -0.005 0.000 0.295 362 G C 1.035 175.606 174.900 -0.549 0.000 1.240 362 G CA 0.119 44.990 45.100 -0.382 0.000 0.985 362 G HN 0.831 nan 8.290 nan 0.000 0.555 363 A N 0.344 122.572 122.820 -0.987 0.000 2.168 363 A HA 0.550 4.867 4.320 -0.005 0.000 0.215 363 A C 2.379 179.812 177.584 -0.253 0.000 1.152 363 A CA 2.004 53.624 52.037 -0.696 0.000 0.716 363 A CB -0.941 17.200 19.000 -1.431 0.000 0.794 363 A HN 2.952 nan 8.150 nan 0.000 0.465 364 G N -2.439 106.254 108.800 -0.179 0.000 2.796 364 G HA2 -0.004 3.953 3.960 -0.005 0.000 0.571 364 G HA3 -0.004 3.953 3.960 -0.005 0.000 0.571 364 G C -0.409 174.559 174.900 0.114 0.000 1.370 364 G CA -0.277 44.825 45.100 0.003 0.000 0.856 364 G HN 1.538 nan 8.290 nan 0.000 0.538 365 c N -0.112 118.572 118.600 0.140 0.000 2.716 365 c HA 0.714 5.281 4.570 -0.005 0.000 0.366 365 c C -1.375 172.843 174.090 0.214 0.000 1.073 365 c CA -0.482 55.944 56.329 0.161 0.000 1.260 365 c CB 0.655 43.174 42.510 0.015 0.000 1.755 365 c HN 1.383 nan 8.230 nan 0.000 0.475 366 W N 5.149 126.464 121.300 0.024 0.000 2.554 366 W HA 0.609 5.266 4.660 -0.004 0.000 0.324 366 W C -0.893 175.650 176.519 0.039 0.000 1.018 366 W CA -0.527 56.833 57.345 0.025 0.000 1.243 366 W CB 1.818 31.310 29.460 0.053 0.000 1.345 366 W HN 0.624 nan 8.180 nan 0.000 0.441 367 S N 4.383 120.271 115.700 0.314 0.000 2.411 367 S HA 0.526 4.993 4.470 -0.005 0.000 0.294 367 S C -0.857 173.721 174.600 -0.036 0.000 1.115 367 S CA -0.427 57.877 58.200 0.173 0.000 1.071 367 S CB 0.882 64.213 63.200 0.219 0.000 0.967 367 S HN 0.395 nan 8.310 nan 0.000 0.488 368 V N 4.309 124.059 119.914 -0.274 0.000 2.733 368 V HA 0.585 4.702 4.120 -0.005 0.000 0.306 368 V C 0.000 175.928 176.094 -0.276 0.000 1.084 368 V CA 0.085 62.170 62.300 -0.360 0.000 0.905 368 V CB 1.602 32.921 31.823 -0.839 0.000 1.010 368 V HN 1.279 nan 8.190 nan 0.000 0.424 369 S N 3.725 119.317 115.700 -0.180 0.000 3.641 369 S HA -0.085 4.382 4.470 -0.005 0.000 0.346 369 S C 1.458 175.969 174.600 -0.148 0.000 1.074 369 S CA 1.543 59.651 58.200 -0.153 0.000 1.026 369 S CB -1.956 61.137 63.200 -0.178 0.000 0.908 369 S HN 3.025 nan 8.310 nan 0.000 0.479 370 G N 0.052 108.774 108.800 -0.130 0.000 2.179 370 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.260 370 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.260 370 G C -0.035 174.753 174.900 -0.187 0.000 0.977 370 G CA 0.788 45.811 45.100 -0.129 0.000 0.641 370 G HN 1.669 nan 8.290 nan 0.000 0.533 371 R N -1.127 119.238 120.500 -0.224 0.000 2.869 371 R HA 0.783 5.120 4.340 -0.005 0.000 0.263 371 R C -0.708 175.429 176.300 -0.271 0.000 1.066 371 R CA -1.041 54.876 56.100 -0.304 0.000 0.960 371 R CB 0.999 31.123 30.300 -0.294 0.000 1.221 371 R HN 0.348 nan 8.270 nan 0.000 0.474 372 H N -0.326 118.552 119.070 -0.320 0.000 2.502 372 H HA 0.324 4.878 4.556 -0.004 0.000 0.338 372 H C -0.548 174.325 175.328 -0.758 0.000 1.155 372 H CA -0.830 55.008 56.048 -0.351 0.000 1.237 372 H CB 1.968 31.677 29.762 -0.089 0.000 1.534 372 H HN 0.581 nan 8.280 nan 0.000 0.523 373 Q N 1.183 120.783 119.800 -0.334 0.000 2.626 373 Q HA 0.331 4.668 4.340 -0.005 0.000 0.300 373 Q C -1.369 174.782 176.000 0.252 0.000 0.988 373 Q CA -1.020 54.563 55.803 -0.368 0.000 0.761 373 Q CB 1.287 29.817 28.738 -0.347 0.000 1.494 373 Q HN 0.279 nan 8.270 nan 0.000 0.439 374 F N 0.736 120.880 119.950 0.323 0.000 2.490 374 F HA 0.343 4.868 4.527 -0.004 0.000 0.336 374 F C 0.672 176.713 175.800 0.401 0.000 1.178 374 F CA -0.437 57.766 58.000 0.337 0.000 1.301 374 F CB 0.299 39.511 39.000 0.354 0.000 1.175 374 F HN 0.513 nan 8.300 nan 0.000 0.593 375 R N 3.056 123.857 120.500 0.501 0.000 2.513 375 R HA 0.311 4.648 4.340 -0.005 0.000 0.283 375 R C -2.719 173.724 176.300 0.238 0.000 1.535 375 R CA -1.703 54.593 56.100 0.326 0.000 1.315 375 R CB 0.845 31.248 30.300 0.173 0.000 1.163 375 R HN 0.279 nan 8.270 nan 0.000 0.573 376 P HA 0.051 nan 4.420 nan 0.000 0.270 376 P C -0.574 176.864 177.300 0.230 0.000 1.223 376 P CA 0.016 63.338 63.100 0.370 0.000 0.785 376 P CB 1.106 33.089 31.700 0.472 0.000 0.923 377 T N -1.823 112.873 114.554 0.237 0.000 2.942 377 T HA 0.703 5.050 4.350 -0.005 0.000 0.289 377 T C -1.053 173.675 174.700 0.047 0.000 1.044 377 T CA -0.707 61.443 62.100 0.083 0.000 1.023 377 T CB 1.349 70.226 68.868 0.015 0.000 1.123 377 T HN 0.334 nan 8.240 nan 0.000 0.512 378 F N 1.704 121.577 119.950 -0.129 0.000 2.565 378 F HA 0.580 5.104 4.527 -0.005 0.000 0.313 378 F C -2.422 173.232 175.800 -0.243 0.000 1.091 378 F CA -2.752 55.150 58.000 -0.164 0.000 0.915 378 F CB 2.542 41.520 39.000 -0.036 0.000 1.208 378 F HN 0.379 nan 8.300 nan 0.000 0.453 379 P HA 0.077 nan 4.420 nan 0.000 0.242 379 P C 0.994 177.627 177.300 -1.112 0.000 1.197 379 P CA 1.001 62.978 63.100 -1.871 0.000 0.765 379 P CB 0.046 30.531 31.700 -2.025 0.000 0.936 380 A N 0.848 123.247 122.820 -0.701 0.000 1.958 380 A HA -0.251 4.066 4.320 -0.005 0.000 0.221 380 A C 2.274 179.409 177.584 -0.748 0.000 1.178 380 A CA 2.475 54.134 52.037 -0.630 0.000 0.642 380 A CB -1.510 17.099 19.000 -0.653 0.000 0.816 380 A HN 0.387 nan 8.150 nan 0.000 0.453 381 S N -0.821 114.577 115.700 -0.504 0.000 2.527 381 S HA 0.106 4.573 4.470 -0.005 0.000 0.222 381 S C 1.012 175.610 174.600 -0.004 0.000 0.985 381 S CA 0.602 58.727 58.200 -0.125 0.000 0.921 381 S CB -0.672 62.690 63.200 0.269 0.000 0.772 381 S HN 0.535 nan 8.310 nan 0.000 0.529 382 S N 3.688 119.257 115.700 -0.218 0.000 2.546 382 S HA 0.163 4.630 4.470 -0.005 0.000 0.290 382 S C -1.245 173.197 174.600 -0.262 0.000 1.290 382 S CA -1.131 56.844 58.200 -0.375 0.000 1.069 382 S CB 0.746 63.691 63.200 -0.425 0.000 0.846 382 S HN 0.280 nan 8.310 nan 0.000 0.495 383 P HA -0.039 nan 4.420 nan 0.000 0.236 383 P C -0.143 177.015 177.300 -0.236 0.000 1.172 383 P CA 0.969 63.918 63.100 -0.251 0.000 0.759 383 P CB -0.114 31.317 31.700 -0.448 0.000 0.843 384 Y N -0.439 119.742 120.300 -0.199 0.000 2.612 384 Y HA 0.193 4.740 4.550 -0.005 0.000 0.250 384 Y C 1.091 176.755 175.900 -0.394 0.000 1.175 384 Y CA -0.605 57.187 58.100 -0.513 0.000 1.205 384 Y CB 0.564 38.728 38.460 -0.494 0.000 1.201 384 Y HN -0.203 nan 8.280 nan 0.000 0.532 385 V N -3.455 116.482 119.914 0.038 0.000 3.001 385 V HA 0.635 4.752 4.120 -0.005 0.000 0.314 385 V C -0.033 176.220 176.094 0.265 0.000 1.099 385 V CA -0.890 61.513 62.300 0.172 0.000 0.989 385 V CB 1.699 33.613 31.823 0.151 0.000 1.040 385 V HN -0.055 nan 8.190 nan 0.000 0.434 386 T N 2.615 117.331 114.554 0.270 0.000 2.723 386 T HA 0.420 4.767 4.350 -0.005 0.000 0.297 386 T C 0.148 174.920 174.700 0.121 0.000 0.925 386 T CA 0.220 62.432 62.100 0.186 0.000 1.030 386 T CB 0.258 69.206 68.868 0.134 0.000 0.905 386 T HN 0.931 nan 8.240 nan 0.000 0.502 387 T N 3.617 118.230 114.554 0.099 0.000 2.795 387 T HA 0.463 4.810 4.350 -0.005 0.000 0.282 387 T C -0.010 174.693 174.700 0.006 0.000 0.980 387 T CA -0.535 61.603 62.100 0.063 0.000 1.012 387 T CB 0.979 69.865 68.868 0.031 0.000 0.936 387 T HN 0.292 nan 8.240 nan 0.000 0.457 388 V N 3.345 123.248 119.914 -0.018 0.000 2.357 388 V HA 0.660 4.777 4.120 -0.005 0.000 0.284 388 V C 0.860 176.933 176.094 -0.034 0.000 1.018 388 V CA -0.675 61.573 62.300 -0.087 0.000 0.841 388 V CB 1.351 33.114 31.823 -0.100 0.000 0.991 388 V HN 1.021 nan 8.190 nan 0.000 0.437 389 G N 3.044 111.814 108.800 -0.049 0.000 2.543 389 G HA2 0.705 4.662 3.960 -0.005 0.000 0.267 389 G HA3 0.705 4.662 3.960 -0.005 0.000 0.267 389 G C -0.061 174.821 174.900 -0.030 0.000 1.406 389 G CA -0.281 44.799 45.100 -0.033 0.000 1.048 389 G HN 1.035 nan 8.290 nan 0.000 0.548 390 G N -1.036 107.742 108.800 -0.037 0.000 2.617 390 G HA2 0.597 4.554 3.960 -0.005 0.000 0.306 390 G HA3 0.597 4.554 3.960 -0.005 0.000 0.306 390 G C -0.322 174.556 174.900 -0.036 0.000 1.360 390 G CA 0.173 45.253 45.100 -0.034 0.000 0.983 390 G HN 0.896 nan 8.290 nan 0.000 0.496 391 T N -1.299 113.243 114.554 -0.020 0.000 2.940 391 T HA 0.852 5.199 4.350 -0.005 0.000 0.288 391 T C 0.339 174.976 174.700 -0.105 0.000 1.045 391 T CA -0.366 61.711 62.100 -0.038 0.000 1.018 391 T CB 1.807 70.676 68.868 0.002 0.000 1.151 391 T HN 1.182 nan 8.240 nan 0.000 0.529 392 S N -0.345 115.283 115.700 -0.121 0.000 2.697 392 S HA 0.787 5.254 4.470 -0.005 0.000 0.289 392 S C -1.117 173.352 174.600 -0.218 0.000 1.149 392 S CA -0.999 57.087 58.200 -0.190 0.000 0.850 392 S CB 0.656 63.826 63.200 -0.050 0.000 1.151 392 S HN 0.535 nan 8.310 nan 0.000 0.491 393 F N 1.380 121.342 119.950 0.019 0.000 2.378 393 F HA 0.453 4.977 4.527 -0.005 0.000 0.319 393 F C 2.071 177.880 175.800 0.016 0.000 1.155 393 F CA -0.713 57.290 58.000 0.005 0.000 1.157 393 F CB 0.451 39.447 39.000 -0.006 0.000 1.252 393 F HN 0.700 nan 8.300 nan 0.000 0.550 394 Q N -0.163 119.778 119.800 0.235 0.000 2.061 394 Q HA -0.012 4.325 4.340 -0.005 0.000 0.195 394 Q C -0.130 175.914 176.000 0.074 0.000 0.967 394 Q CA 0.904 56.782 55.803 0.124 0.000 0.829 394 Q CB 0.062 28.860 28.738 0.099 0.000 0.900 394 Q HN 0.585 nan 8.270 nan 0.000 0.450 395 E N 0.044 120.273 120.200 0.049 0.000 2.283 395 E HA 0.073 4.420 4.350 -0.005 0.000 0.267 395 E C -1.905 174.673 176.600 -0.036 0.000 1.045 395 E CA -1.693 54.690 56.400 -0.028 0.000 0.884 395 E CB 0.814 30.482 29.700 -0.054 0.000 1.106 395 E HN -0.092 nan 8.360 nan 0.000 0.408 396 P HA -0.083 nan 4.420 nan 0.000 0.215 396 P C 0.260 177.570 177.300 0.016 0.000 1.157 396 P CA 1.130 64.126 63.100 -0.173 0.000 0.859 396 P CB 0.167 31.504 31.700 -0.604 0.000 0.786 397 F N -1.897 118.083 119.950 0.051 0.000 2.776 397 F HA 0.271 4.795 4.527 -0.005 0.000 0.300 397 F C 0.931 176.700 175.800 -0.051 0.000 1.116 397 F CA -0.339 57.685 58.000 0.041 0.000 1.375 397 F CB -0.569 38.459 39.000 0.047 0.000 1.109 397 F HN -0.132 nan 8.300 nan 0.000 0.585 398 L N 0.317 121.520 121.223 -0.033 0.000 2.438 398 L HA 0.463 4.801 4.340 -0.005 0.000 0.270 398 L C 0.177 176.699 176.870 -0.580 0.000 0.972 398 L CA -0.655 54.073 54.840 -0.186 0.000 0.831 398 L CB 1.599 43.613 42.059 -0.074 0.000 1.273 398 L HN 0.139 nan 8.230 nan 0.000 0.405 399 I N 1.980 122.161 120.570 -0.648 0.000 3.838 399 I HA 0.245 4.412 4.170 -0.005 0.000 0.320 399 I C 0.469 176.192 176.117 -0.657 0.000 1.429 399 I CA 0.091 60.700 61.300 -1.151 0.000 1.223 399 I CB 0.113 37.762 38.000 -0.585 0.000 1.147 399 I HN 0.647 nan 8.210 nan 0.000 0.410 400 T N 0.977 115.283 114.554 -0.413 0.000 3.332 400 T HA 0.145 4.492 4.350 -0.005 0.000 0.367 400 T C 0.409 175.122 174.700 0.022 0.000 1.244 400 T CA -0.155 61.869 62.100 -0.127 0.000 0.977 400 T CB 0.279 69.110 68.868 -0.061 0.000 1.784 400 T HN 0.503 nan 8.240 nan 0.000 0.553 401 N N 1.343 120.069 118.700 0.044 0.000 2.329 401 N HA 0.060 4.797 4.740 -0.005 0.000 0.237 401 N C -0.483 175.099 175.510 0.120 0.000 1.258 401 N CA 0.679 53.754 53.050 0.041 0.000 0.866 401 N CB 0.295 38.900 38.487 0.196 0.000 1.102 401 N HN 0.414 nan 8.380 nan 0.000 0.440 402 E N 1.038 121.244 120.200 0.010 0.000 2.231 402 E HA 0.420 4.767 4.350 -0.005 0.000 0.277 402 E C -0.220 176.510 176.600 0.216 0.000 0.999 402 E CA -0.534 55.916 56.400 0.085 0.000 0.827 402 E CB 1.092 30.788 29.700 -0.006 0.000 1.101 402 E HN 0.472 nan 8.360 nan 0.000 0.393 403 I N -1.879 118.765 120.570 0.123 0.000 3.264 403 I HA 0.495 4.663 4.170 -0.005 0.000 0.309 403 I C -0.245 175.907 176.117 0.058 0.000 1.099 403 I CA -1.427 59.939 61.300 0.110 0.000 0.989 403 I CB 1.106 39.165 38.000 0.099 0.000 1.250 403 I HN 0.109 nan 8.210 nan 0.000 0.478 404 V N 2.216 122.156 119.914 0.043 0.000 2.617 404 V HA -0.037 4.080 4.120 -0.005 0.000 0.304 404 V C 0.052 176.155 176.094 0.014 0.000 1.040 404 V CA 0.539 62.846 62.300 0.010 0.000 1.149 404 V CB 0.040 31.864 31.823 0.001 0.000 0.914 404 V HN 0.679 nan 8.190 nan 0.000 0.487 405 D N 3.728 124.102 120.400 -0.043 0.000 2.312 405 D HA 0.125 4.762 4.640 -0.005 0.000 0.252 405 D C 0.803 176.995 176.300 -0.180 0.000 1.150 405 D CA -0.328 53.589 54.000 -0.138 0.000 0.870 405 D CB 0.904 41.588 40.800 -0.193 0.000 1.153 405 D HN 0.567 nan 8.370 nan 0.000 0.457 406 Y N 3.000 123.307 120.300 0.012 0.000 2.483 406 Y HA -0.077 4.470 4.550 -0.005 0.000 0.291 406 Y C 1.742 177.657 175.900 0.025 0.000 1.143 406 Y CA 0.673 58.786 58.100 0.021 0.000 1.289 406 Y CB -1.073 37.387 38.460 0.000 0.000 0.983 406 Y HN 0.418 nan 8.280 nan 0.000 0.556 407 I N -1.730 118.620 120.570 -0.368 0.000 3.251 407 I HA 0.091 4.258 4.170 -0.005 0.000 0.277 407 I C 1.205 177.275 176.117 -0.078 0.000 1.268 407 I CA 0.111 61.301 61.300 -0.183 0.000 1.449 407 I CB -0.350 37.493 38.000 -0.262 0.000 1.083 407 I HN 0.098 nan 8.210 nan 0.000 0.464 408 S N 2.433 118.104 115.700 -0.048 0.000 2.629 408 S HA 0.269 4.736 4.470 -0.005 0.000 0.302 408 S C 0.861 175.523 174.600 0.104 0.000 1.244 408 S CA -0.090 58.113 58.200 0.005 0.000 1.098 408 S CB -0.498 62.692 63.200 -0.017 0.000 0.858 408 S HN 0.552 nan 8.310 nan 0.000 0.502 409 G N 3.405 112.252 108.800 0.078 0.000 2.441 409 G HA2 0.531 4.488 3.960 -0.005 0.000 0.243 409 G HA3 0.531 4.488 3.960 -0.005 0.000 0.243 409 G C 0.294 175.290 174.900 0.161 0.000 1.281 409 G CA -0.024 45.153 45.100 0.129 0.000 0.854 409 G HN 1.114 nan 8.290 nan 0.000 0.560 410 G N -1.026 107.812 108.800 0.063 0.000 2.523 410 G HA2 0.855 4.812 3.960 -0.005 0.000 0.291 410 G HA3 0.855 4.812 3.960 -0.005 0.000 0.291 410 G C -0.208 174.368 174.900 -0.541 0.000 1.450 410 G CA 0.367 45.241 45.100 -0.375 0.000 0.790 410 G HN 1.996 nan 8.290 nan 0.000 0.496 411 G N -1.490 106.718 108.800 -0.986 0.000 2.347 411 G HA2 0.456 4.413 3.960 -0.005 0.000 0.224 411 G HA3 0.456 4.413 3.960 -0.005 0.000 0.224 411 G C -1.748 172.946 174.900 -0.344 0.000 1.318 411 G CA -0.609 44.344 45.100 -0.245 0.000 1.016 411 G HN 1.014 nan 8.290 nan 0.000 0.469 412 F N 1.134 121.202 119.950 0.197 0.000 2.529 412 F HA 0.681 5.205 4.527 -0.004 0.000 0.320 412 F C 0.777 176.804 175.800 0.378 0.000 1.118 412 F CA -0.473 57.712 58.000 0.309 0.000 0.915 412 F CB 2.459 41.711 39.000 0.420 0.000 1.161 412 F HN 0.491 nan 8.300 nan 0.000 0.445 413 S N 1.595 117.587 115.700 0.487 0.000 2.568 413 S HA 0.072 4.539 4.470 -0.005 0.000 0.282 413 S C 0.809 175.609 174.600 0.333 0.000 1.338 413 S CA -0.350 58.096 58.200 0.410 0.000 1.045 413 S CB 0.315 63.757 63.200 0.402 0.000 0.873 413 S HN 0.666 nan 8.310 nan 0.000 0.516 414 N N 2.786 121.635 118.700 0.249 0.000 2.270 414 N HA 0.123 4.861 4.740 -0.005 0.000 0.198 414 N C 0.632 176.166 175.510 0.041 0.000 1.117 414 N CA 0.247 53.400 53.050 0.171 0.000 0.845 414 N CB 0.584 39.199 38.487 0.213 0.000 0.980 414 N HN 0.358 nan 8.380 nan 0.000 0.486 415 V N -0.671 119.217 119.914 -0.043 0.000 3.029 415 V HA 0.264 4.381 4.120 -0.005 0.000 0.230 415 V C -0.207 175.656 176.094 -0.384 0.000 1.254 415 V CA 0.408 62.511 62.300 -0.328 0.000 1.276 415 V CB 0.236 31.660 31.823 -0.664 0.000 1.080 415 V HN -0.111 nan 8.190 nan 0.000 0.495 416 F N 3.107 123.105 119.950 0.080 0.000 2.410 416 F HA 0.565 5.089 4.527 -0.005 0.000 0.349 416 F C -2.206 173.627 175.800 0.056 0.000 1.117 416 F CA -3.101 54.937 58.000 0.064 0.000 1.104 416 F CB 0.430 39.474 39.000 0.073 0.000 1.122 416 F HN 0.019 nan 8.300 nan 0.000 0.483 417 P HA 0.059 nan 4.420 nan 0.000 0.275 417 P C -0.355 176.974 177.300 0.048 0.000 1.228 417 P CA -0.603 62.559 63.100 0.105 0.000 0.786 417 P CB 0.717 32.456 31.700 0.065 0.000 0.927 418 R N 3.754 124.265 120.500 0.018 0.000 2.614 418 R HA -0.009 4.328 4.340 -0.005 0.000 0.335 418 R C -1.558 174.615 176.300 -0.212 0.000 0.859 418 R CA -0.659 55.381 56.100 -0.099 0.000 1.123 418 R CB -0.528 29.729 30.300 -0.072 0.000 0.887 418 R HN 0.408 nan 8.270 nan 0.000 0.407 419 P HA -0.041 nan 4.420 nan 0.000 0.269 419 P C 0.124 177.061 177.300 -0.605 0.000 1.209 419 P CA -0.005 62.762 63.100 -0.556 0.000 0.776 419 P CB 1.223 32.331 31.700 -0.986 0.000 0.876 420 S N 1.730 117.213 115.700 -0.361 0.000 2.442 420 S HA -0.219 4.249 4.470 -0.005 0.000 0.236 420 S C 1.634 176.109 174.600 -0.209 0.000 1.007 420 S CA 0.883 58.959 58.200 -0.208 0.000 0.965 420 S CB -1.378 61.777 63.200 -0.074 0.000 0.773 420 S HN 0.600 nan 8.310 nan 0.000 0.504 421 Y N 2.231 122.424 120.300 -0.179 0.000 2.529 421 Y HA 0.345 4.892 4.550 -0.005 0.000 0.290 421 Y C 1.637 177.329 175.900 -0.346 0.000 1.177 421 Y CA 0.008 57.981 58.100 -0.211 0.000 1.305 421 Y CB -0.898 37.429 38.460 -0.221 0.000 1.047 421 Y HN 0.599 nan 8.280 nan 0.000 0.522 422 Q N -0.170 119.317 119.800 -0.521 0.000 2.112 422 Q HA 0.192 4.529 4.340 -0.005 0.000 0.222 422 Q C 0.904 176.705 176.000 -0.330 0.000 0.798 422 Q CA 0.064 55.573 55.803 -0.491 0.000 1.060 422 Q CB 0.271 28.459 28.738 -0.915 0.000 1.184 422 Q HN 0.291 nan 8.270 nan 0.000 0.475 423 E N 2.454 122.525 120.200 -0.215 0.000 2.038 423 E HA -0.275 4.072 4.350 -0.005 0.000 0.195 423 E C 1.751 178.317 176.600 -0.057 0.000 1.000 423 E CA 2.184 58.510 56.400 -0.124 0.000 0.803 423 E CB 0.041 29.695 29.700 -0.076 0.000 0.750 423 E HN 0.565 nan 8.360 nan 0.000 0.448 424 E N -0.570 119.632 120.200 0.002 0.000 2.051 424 E HA -0.201 4.146 4.350 -0.005 0.000 0.192 424 E C 1.984 178.625 176.600 0.069 0.000 0.991 424 E CA 1.141 57.583 56.400 0.070 0.000 0.799 424 E CB -0.319 29.466 29.700 0.142 0.000 0.748 424 E HN 0.341 nan 8.360 nan 0.000 0.449 425 A N 0.460 123.300 122.820 0.034 0.000 1.877 425 A HA -0.141 4.176 4.320 -0.005 0.000 0.216 425 A C 2.393 179.857 177.584 -0.199 0.000 1.186 425 A CA 1.586 53.577 52.037 -0.077 0.000 0.620 425 A CB -0.632 18.191 19.000 -0.295 0.000 0.822 425 A HN 0.239 nan 8.150 nan 0.000 0.443 426 V N -0.589 119.105 119.914 -0.367 0.000 2.323 426 V HA -0.177 3.940 4.120 -0.005 0.000 0.244 426 V C 2.717 178.890 176.094 0.131 0.000 1.041 426 V CA 2.319 64.479 62.300 -0.234 0.000 1.025 426 V CB -1.208 30.447 31.823 -0.279 0.000 0.656 426 V HN 0.586 nan 8.190 nan 0.000 0.451 427 T N -0.137 114.458 114.554 0.070 0.000 2.699 427 T HA -0.301 4.046 4.350 -0.005 0.000 0.268 427 T C 1.938 176.714 174.700 0.126 0.000 1.036 427 T CA 2.139 64.300 62.100 0.102 0.000 1.147 427 T CB -0.227 68.678 68.868 0.061 0.000 0.862 427 T HN 0.460 nan 8.240 nan 0.000 0.446 428 K N 0.166 120.647 120.400 0.135 0.000 2.026 428 K HA -0.111 4.206 4.320 -0.005 0.000 0.208 428 K C 2.034 178.748 176.600 0.190 0.000 1.048 428 K CA 1.341 57.716 56.287 0.148 0.000 0.929 428 K CB -0.386 32.212 32.500 0.163 0.000 0.713 428 K HN 0.314 nan 8.250 nan 0.000 0.439 429 F N 1.465 121.500 119.950 0.142 0.000 2.095 429 F HA -0.155 4.369 4.527 -0.005 0.000 0.298 429 F C 1.590 177.485 175.800 0.159 0.000 1.104 429 F CA 1.507 59.617 58.000 0.183 0.000 1.232 429 F CB -0.244 38.963 39.000 0.346 0.000 0.987 429 F HN -0.017 nan 8.300 nan 0.000 0.475 430 L N 0.074 121.379 121.223 0.137 0.000 2.131 430 L HA -0.185 4.152 4.340 -0.005 0.000 0.210 430 L C 2.550 179.395 176.870 -0.043 0.000 1.092 430 L CA 1.449 56.305 54.840 0.027 0.000 0.759 430 L CB -0.836 41.347 42.059 0.207 0.000 0.903 430 L HN 0.366 nan 8.230 nan 0.000 0.435 431 S N -2.149 113.547 115.700 -0.005 0.000 2.501 431 S HA -0.040 4.427 4.470 -0.005 0.000 0.220 431 S C 1.799 176.372 174.600 -0.045 0.000 0.997 431 S CA 0.535 58.729 58.200 -0.009 0.000 0.919 431 S CB 0.145 63.358 63.200 0.022 0.000 0.778 431 S HN 0.479 nan 8.310 nan 0.000 0.523 432 S N 0.267 115.916 115.700 -0.085 0.000 2.619 432 S HA 0.289 4.756 4.470 -0.005 0.000 0.238 432 S C 0.669 175.179 174.600 -0.150 0.000 1.068 432 S CA 0.143 58.296 58.200 -0.078 0.000 0.926 432 S CB -0.418 62.772 63.200 -0.016 0.000 0.864 432 S HN 0.343 nan 8.310 nan 0.000 0.493 433 S N 4.161 119.686 115.700 -0.292 0.000 2.515 433 S HA 0.280 4.747 4.470 -0.005 0.000 0.285 433 S C -1.174 173.270 174.600 -0.261 0.000 1.265 433 S CA -0.927 57.059 58.200 -0.356 0.000 1.079 433 S CB 0.845 63.580 63.200 -0.776 0.000 0.877 433 S HN 0.408 nan 8.310 nan 0.000 0.493 434 P HA 0.080 nan 4.420 nan 0.000 0.249 434 P C -0.242 176.849 177.300 -0.347 0.000 1.229 434 P CA 0.535 63.419 63.100 -0.359 0.000 0.788 434 P CB 0.048 31.451 31.700 -0.496 0.000 1.072 435 H N -0.414 118.643 119.070 -0.022 0.000 2.528 435 H HA 0.325 4.878 4.556 -0.005 0.000 0.256 435 H C 0.366 175.710 175.328 0.027 0.000 1.204 435 H CA -0.727 55.326 56.048 0.009 0.000 0.955 435 H CB -0.071 29.710 29.762 0.032 0.000 1.817 435 H HN 0.135 nan 8.280 nan 0.000 0.579 436 L N 2.654 123.932 121.223 0.092 0.000 2.380 436 L HA 0.188 4.525 4.340 -0.005 0.000 0.273 436 L C -1.603 175.340 176.870 0.120 0.000 1.138 436 L CA -1.471 53.442 54.840 0.121 0.000 0.832 436 L CB 0.812 42.936 42.059 0.109 0.000 1.124 436 L HN 0.058 nan 8.230 nan 0.000 0.454 437 P HA 0.175 nan 4.420 nan 0.000 0.271 437 P C -2.509 174.868 177.300 0.128 0.000 1.244 437 P CA -1.044 62.074 63.100 0.029 0.000 0.793 437 P CB -0.320 31.343 31.700 -0.062 0.000 0.984 438 P HA -0.022 nan 4.420 nan 0.000 0.266 438 P C 0.850 178.209 177.300 0.099 0.000 1.195 438 P CA 0.263 63.399 63.100 0.061 0.000 0.768 438 P CB 0.155 31.898 31.700 0.072 0.000 0.838 439 S N 0.765 116.454 115.700 -0.018 0.000 2.447 439 S HA -0.157 4.310 4.470 -0.005 0.000 0.233 439 S C 1.742 176.167 174.600 -0.291 0.000 1.006 439 S CA 1.283 59.328 58.200 -0.257 0.000 0.957 439 S CB -1.298 61.766 63.200 -0.227 0.000 0.773 439 S HN 0.525 nan 8.310 nan 0.000 0.507 440 S N 0.201 115.825 115.700 -0.127 0.000 2.442 440 S HA -0.049 4.418 4.470 -0.005 0.000 0.236 440 S C 1.454 175.913 174.600 -0.235 0.000 1.007 440 S CA 0.504 58.598 58.200 -0.177 0.000 0.965 440 S CB -0.899 62.205 63.200 -0.160 0.000 0.773 440 S HN 0.600 nan 8.310 nan 0.000 0.504 441 Y N 1.883 121.997 120.300 -0.310 0.000 2.519 441 Y HA 0.334 4.881 4.550 -0.005 0.000 0.287 441 Y C 0.682 176.399 175.900 -0.304 0.000 1.128 441 Y CA -0.334 57.475 58.100 -0.486 0.000 1.282 441 Y CB 0.033 37.900 38.460 -0.989 0.000 1.027 441 Y HN 0.534 nan 8.280 nan 0.000 0.551 442 F N -2.868 117.011 119.950 -0.119 0.000 2.662 442 F HA 0.465 4.990 4.527 -0.005 0.000 0.312 442 F C -1.080 174.755 175.800 0.058 0.000 1.113 442 F CA -1.954 56.114 58.000 0.113 0.000 0.951 442 F CB 0.876 40.106 39.000 0.384 0.000 1.344 442 F HN -0.407 nan 8.300 nan 0.000 0.462 443 N N 1.424 120.255 118.700 0.218 0.000 2.589 443 N HA 0.371 5.108 4.740 -0.005 0.000 0.232 443 N C 0.620 176.191 175.510 0.102 0.000 1.015 443 N CA 0.287 53.385 53.050 0.080 0.000 0.931 443 N CB 1.466 40.079 38.487 0.210 0.000 1.150 443 N HN 0.947 nan 8.380 nan 0.000 0.512 444 A N 2.315 125.045 122.820 -0.149 0.000 2.186 444 A HA -0.142 4.175 4.320 -0.005 0.000 0.219 444 A C 1.896 179.585 177.584 0.175 0.000 1.159 444 A CA 1.715 53.730 52.037 -0.037 0.000 0.680 444 A CB -0.341 18.613 19.000 -0.076 0.000 0.787 444 A HN 0.684 nan 8.150 nan 0.000 0.467 445 S N -1.129 114.663 115.700 0.154 0.000 2.558 445 S HA 0.347 4.814 4.470 -0.005 0.000 0.217 445 S C 0.981 175.704 174.600 0.205 0.000 0.975 445 S CA 0.314 58.601 58.200 0.144 0.000 0.912 445 S CB -0.289 62.958 63.200 0.078 0.000 0.776 445 S HN 0.646 nan 8.310 nan 0.000 0.526 446 G N 1.042 110.050 108.800 0.346 0.000 2.437 446 G HA2 0.486 4.443 3.960 -0.005 0.000 0.319 446 G HA3 0.486 4.443 3.960 -0.005 0.000 0.319 446 G C -0.592 174.479 174.900 0.284 0.000 1.158 446 G CA -1.028 44.269 45.100 0.328 0.000 0.899 446 G HN 0.266 nan 8.290 nan 0.000 0.502 447 R N 0.328 120.947 120.500 0.199 0.000 2.494 447 R HA 0.187 4.524 4.340 -0.005 0.000 0.291 447 R C 0.012 176.353 176.300 0.068 0.000 0.953 447 R CA 0.322 56.481 56.100 0.098 0.000 1.098 447 R CB -0.157 30.227 30.300 0.140 0.000 0.911 447 R HN 0.533 nan 8.270 nan 0.000 0.407 448 A N 5.563 128.308 122.820 -0.126 0.000 2.324 448 A HA 0.604 4.921 4.320 -0.005 0.000 0.330 448 A C -1.327 176.307 177.584 0.083 0.000 1.165 448 A CA -0.673 51.131 52.037 -0.388 0.000 0.813 448 A CB 0.888 19.415 19.000 -0.787 0.000 1.197 448 A HN 0.752 nan 8.150 nan 0.000 0.484 449 Y N 0.024 120.247 120.300 -0.129 0.000 2.588 449 Y HA 0.847 5.394 4.550 -0.005 0.000 0.343 449 Y C -3.383 172.383 175.900 -0.223 0.000 1.065 449 Y CA -3.050 55.028 58.100 -0.037 0.000 1.038 449 Y CB 0.875 39.336 38.460 0.001 0.000 1.297 449 Y HN 0.394 nan 8.280 nan 0.000 0.467 450 P HA 0.332 nan 4.420 nan 0.000 0.310 450 P C -0.412 176.970 177.300 0.136 0.000 1.309 450 P CA -0.198 62.971 63.100 0.115 0.000 0.769 450 P CB 1.452 33.148 31.700 -0.007 0.000 1.327 451 D N -1.521 118.978 120.400 0.166 0.000 2.379 451 D HA 0.094 4.731 4.640 -0.005 0.000 0.218 451 D C 0.709 177.038 176.300 0.048 0.000 1.006 451 D CA 0.881 55.033 54.000 0.253 0.000 0.893 451 D CB 0.518 41.529 40.800 0.353 0.000 1.019 451 D HN 0.193 nan 8.370 nan 0.000 0.503 452 V N -2.582 117.261 119.914 -0.120 0.000 3.080 452 V HA 0.929 5.046 4.120 -0.005 0.000 0.311 452 V C -1.632 174.328 176.094 -0.224 0.000 1.389 452 V CA -0.971 61.185 62.300 -0.240 0.000 1.049 452 V CB 1.760 33.157 31.823 -0.709 0.000 1.078 452 V HN 0.072 nan 8.190 nan 0.000 0.468 453 A N -0.508 122.224 122.820 -0.147 0.000 2.605 453 A HA 1.092 5.410 4.320 -0.005 0.000 0.294 453 A C -0.531 177.145 177.584 0.154 0.000 1.062 453 A CA -0.094 51.939 52.037 -0.006 0.000 0.682 453 A CB 1.185 20.188 19.000 0.005 0.000 1.278 453 A HN 2.782 nan 8.150 nan 0.000 0.410 454 A N 0.425 123.331 122.820 0.144 0.000 2.588 454 A HA 0.765 5.082 4.320 -0.005 0.000 0.290 454 A C -0.843 176.850 177.584 0.182 0.000 1.136 454 A CA -0.701 51.467 52.037 0.219 0.000 0.681 454 A CB 0.238 19.363 19.000 0.209 0.000 1.282 454 A HN 1.276 nan 8.150 nan 0.000 0.421 455 L N 1.188 122.558 121.223 0.244 0.000 2.573 455 L HA 0.091 4.428 4.340 -0.005 0.000 0.290 455 L C 1.230 178.226 176.870 0.210 0.000 1.247 455 L CA 1.064 55.965 54.840 0.101 0.000 0.876 455 L CB 0.683 42.733 42.059 -0.016 0.000 1.123 455 L HN 0.926 nan 8.230 nan 0.000 0.505 456 S N -1.484 114.296 115.700 0.132 0.000 2.911 456 S HA 0.165 4.632 4.470 -0.005 0.000 0.261 456 S C -0.346 174.306 174.600 0.086 0.000 1.021 456 S CA -0.659 57.578 58.200 0.061 0.000 1.222 456 S CB 0.328 63.501 63.200 -0.045 0.000 1.171 456 S HN 0.630 nan 8.310 nan 0.000 0.669 457 D N 1.067 121.566 120.400 0.164 0.000 2.549 457 D HA 0.553 5.191 4.640 -0.005 0.000 0.251 457 D C 0.555 176.962 176.300 0.180 0.000 1.153 457 D CA 0.729 54.800 54.000 0.118 0.000 0.861 457 D CB 1.189 42.007 40.800 0.030 0.000 1.207 457 D HN 0.512 nan 8.370 nan 0.000 0.543 458 G N 2.596 111.536 108.800 0.233 0.000 2.207 458 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.216 458 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.216 458 G C -0.318 174.593 174.900 0.018 0.000 1.053 458 G CA -0.387 44.830 45.100 0.196 0.000 0.764 458 G HN 0.385 nan 8.290 nan 0.000 0.495 459 Y N -1.035 119.205 120.300 -0.100 0.000 2.336 459 Y HA 0.524 5.071 4.550 -0.005 0.000 0.331 459 Y C 0.951 176.773 175.900 -0.129 0.000 1.211 459 Y CA -0.443 57.594 58.100 -0.104 0.000 1.346 459 Y CB 0.522 38.835 38.460 -0.245 0.000 1.271 459 Y HN 0.262 nan 8.280 nan 0.000 0.538 460 W N 3.240 124.619 121.300 0.133 0.000 2.365 460 W HA 0.551 5.208 4.660 -0.005 0.000 0.316 460 W C -0.533 176.242 176.519 0.425 0.000 1.164 460 W CA -0.520 56.913 57.345 0.147 0.000 1.204 460 W CB 0.909 30.339 29.460 -0.050 0.000 1.213 460 W HN 0.327 nan 8.180 nan 0.000 0.539 461 V N 0.779 121.040 119.914 0.579 0.000 3.074 461 V HA 0.810 4.927 4.120 -0.005 0.000 0.314 461 V C -1.044 175.375 176.094 0.542 0.000 1.117 461 V CA -1.307 61.354 62.300 0.601 0.000 1.014 461 V CB 1.591 33.641 31.823 0.378 0.000 1.057 461 V HN 0.185 nan 8.190 nan 0.000 0.438 462 V N 2.237 122.462 119.914 0.518 0.000 2.384 462 V HA 0.728 4.845 4.120 -0.005 0.000 0.287 462 V C 0.070 176.288 176.094 0.207 0.000 1.020 462 V CA 0.130 62.636 62.300 0.344 0.000 0.850 462 V CB 1.158 33.185 31.823 0.340 0.000 0.987 462 V HN 1.128 nan 8.190 nan 0.000 0.436 463 S N 4.834 120.619 115.700 0.142 0.000 2.672 463 S HA 0.440 4.907 4.470 -0.005 0.000 0.291 463 S C 0.131 174.751 174.600 0.035 0.000 1.145 463 S CA -0.599 57.635 58.200 0.057 0.000 1.013 463 S CB 0.497 63.726 63.200 0.048 0.000 1.017 463 S HN 0.854 nan 8.310 nan 0.000 0.487 464 N N 3.563 122.259 118.700 -0.006 0.000 2.740 464 N HA -0.157 4.580 4.740 -0.005 0.000 0.248 464 N C -0.048 175.506 175.510 0.073 0.000 1.062 464 N CA 1.101 54.178 53.050 0.046 0.000 0.704 464 N CB -0.958 37.547 38.487 0.029 0.000 0.968 464 N HN 0.927 nan 8.380 nan 0.000 0.547 465 R N -3.610 116.939 120.500 0.082 0.000 3.951 465 R HA -0.196 4.141 4.340 -0.005 0.000 0.352 465 R C -0.709 175.633 176.300 0.070 0.000 1.178 465 R CA 1.150 57.292 56.100 0.071 0.000 0.949 465 R CB -1.812 28.520 30.300 0.055 0.000 1.452 465 R HN 0.162 nan 8.270 nan 0.000 0.540 466 V N 1.577 121.544 119.914 0.089 0.000 2.487 466 V HA 0.369 4.486 4.120 -0.005 0.000 0.298 466 V C -1.976 174.212 176.094 0.157 0.000 1.028 466 V CA -1.870 60.491 62.300 0.101 0.000 0.860 466 V CB 2.069 33.945 31.823 0.088 0.000 0.991 466 V HN -0.104 nan 8.190 nan 0.000 0.427 467 P HA 0.387 nan 4.420 nan 0.000 0.276 467 P C -0.846 176.664 177.300 0.349 0.000 1.235 467 P CA 0.078 63.380 63.100 0.338 0.000 0.772 467 P CB 0.731 32.627 31.700 0.327 0.000 0.871 468 I N 5.777 126.535 120.570 0.314 0.000 2.439 468 I HA 0.344 4.511 4.170 -0.005 0.000 0.285 468 I C -2.204 173.762 176.117 -0.251 0.000 1.021 468 I CA -2.577 58.758 61.300 0.060 0.000 1.091 468 I CB 2.725 40.772 38.000 0.078 0.000 1.242 468 I HN 0.149 nan 8.210 nan 0.000 0.439 469 P HA 0.221 nan 4.420 nan 0.000 0.287 469 P C -0.819 176.000 177.300 -0.800 0.000 1.296 469 P CA -0.371 61.779 63.100 -1.584 0.000 0.811 469 P CB 0.617 30.801 31.700 -2.526 0.000 1.211 470 W N -3.042 117.994 121.300 -0.439 0.000 4.435 470 W HA -0.144 4.513 4.660 -0.005 0.000 0.351 470 W C -0.553 175.896 176.519 -0.116 0.000 1.319 470 W CA -0.622 56.601 57.345 -0.203 0.000 0.791 470 W CB -2.548 26.822 29.460 -0.150 0.000 2.419 470 W HN -0.034 nan 8.180 nan 0.000 1.406 471 V N 1.436 121.393 119.914 0.070 0.000 2.432 471 V HA 0.543 4.660 4.120 -0.005 0.000 0.275 471 V C 0.659 176.796 176.094 0.071 0.000 1.043 471 V CA -0.038 62.302 62.300 0.067 0.000 0.925 471 V CB 1.613 33.464 31.823 0.047 0.000 0.985 471 V HN 0.104 nan 8.190 nan 0.000 0.466 472 S N 2.434 118.145 115.700 0.018 0.000 2.541 472 S HA 0.949 5.416 4.470 -0.005 0.000 0.280 472 S C 0.032 174.586 174.600 -0.076 0.000 1.112 472 S CA -0.049 58.146 58.200 -0.008 0.000 0.925 472 S CB 1.977 65.185 63.200 0.014 0.000 1.067 472 S HN 1.416 nan 8.310 nan 0.000 0.479 473 G N 0.582 109.313 108.800 -0.114 0.000 2.347 473 G HA2 0.171 4.128 3.960 -0.005 0.000 0.321 473 G HA3 0.171 4.128 3.960 -0.005 0.000 0.321 473 G C 0.274 175.091 174.900 -0.139 0.000 1.412 473 G CA -0.025 45.005 45.100 -0.116 0.000 0.990 473 G HN 0.806 nan 8.290 nan 0.000 0.637 474 T N -1.673 112.822 114.554 -0.098 0.000 3.113 474 T HA 0.056 4.403 4.350 -0.005 0.000 0.263 474 T C 2.224 176.865 174.700 -0.099 0.000 1.143 474 T CA 1.939 63.989 62.100 -0.083 0.000 1.090 474 T CB -0.003 68.842 68.868 -0.039 0.000 0.922 474 T HN 0.562 nan 8.240 nan 0.000 0.521 475 S N 1.225 116.856 115.700 -0.115 0.000 2.442 475 S HA 0.162 4.629 4.470 -0.005 0.000 0.236 475 S C 2.366 176.842 174.600 -0.205 0.000 1.007 475 S CA 0.767 58.893 58.200 -0.124 0.000 0.965 475 S CB -0.418 62.724 63.200 -0.098 0.000 0.773 475 S HN 0.797 nan 8.310 nan 0.000 0.504 476 A N 1.522 124.141 122.820 -0.334 0.000 1.887 476 A HA 0.036 4.353 4.320 -0.005 0.000 0.212 476 A C 2.255 179.594 177.584 -0.408 0.000 1.198 476 A CA 1.209 52.863 52.037 -0.637 0.000 0.628 476 A CB -0.846 17.371 19.000 -1.305 0.000 0.847 476 A HN 0.562 nan 8.150 nan 0.000 0.449 477 S N -0.486 115.085 115.700 -0.215 0.000 2.419 477 S HA -0.144 4.323 4.470 -0.005 0.000 0.235 477 S C 1.727 176.342 174.600 0.026 0.000 1.019 477 S CA 1.978 60.165 58.200 -0.022 0.000 0.982 477 S CB -0.934 62.270 63.200 0.008 0.000 0.789 477 S HN 0.453 nan 8.310 nan 0.000 0.490 478 T N 3.037 117.575 114.554 -0.027 0.000 2.851 478 T HA 0.085 4.432 4.350 -0.005 0.000 0.262 478 T C -0.647 174.076 174.700 0.038 0.000 1.043 478 T CA 1.088 63.191 62.100 0.004 0.000 1.140 478 T CB -0.939 67.902 68.868 -0.045 0.000 0.872 478 T HN 0.474 nan 8.240 nan 0.000 0.446 479 P HA 0.114 nan 4.420 nan 0.000 0.225 479 P C 1.546 178.896 177.300 0.084 0.000 1.156 479 P CA 0.519 63.641 63.100 0.036 0.000 0.787 479 P CB -0.103 31.609 31.700 0.021 0.000 0.802 480 V N -0.397 119.580 119.914 0.105 0.000 2.270 480 V HA -0.203 3.914 4.120 -0.005 0.000 0.245 480 V C 2.424 178.557 176.094 0.065 0.000 1.043 480 V CA 1.664 64.043 62.300 0.133 0.000 1.014 480 V CB -1.390 30.555 31.823 0.204 0.000 0.645 480 V HN -0.053 nan 8.190 nan 0.000 0.447 481 F N 1.443 121.376 119.950 -0.029 0.000 2.095 481 F HA -0.109 4.415 4.527 -0.005 0.000 0.298 481 F C 2.271 178.065 175.800 -0.011 0.000 1.104 481 F CA 1.776 59.745 58.000 -0.052 0.000 1.232 481 F CB -0.658 38.314 39.000 -0.047 0.000 0.987 481 F HN 0.185 nan 8.300 nan 0.000 0.475 482 G N -0.567 108.372 108.800 0.231 0.000 2.446 482 G HA2 -0.258 3.700 3.960 -0.005 0.000 0.217 482 G HA3 -0.258 3.700 3.960 -0.005 0.000 0.217 482 G C 1.913 176.856 174.900 0.071 0.000 1.168 482 G CA 0.776 45.966 45.100 0.151 0.000 0.771 482 G HN 0.574 nan 8.290 nan 0.000 0.551 483 G N 0.979 109.803 108.800 0.040 0.000 2.440 483 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.218 483 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.218 483 G C 1.791 176.680 174.900 -0.019 0.000 1.154 483 G CA 0.866 45.974 45.100 0.012 0.000 0.767 483 G HN 0.448 nan 8.290 nan 0.000 0.552 484 I N 0.390 120.915 120.570 -0.076 0.000 2.226 484 I HA -0.130 4.037 4.170 -0.005 0.000 0.245 484 I C 2.695 178.811 176.117 -0.003 0.000 1.100 484 I CA 0.599 61.841 61.300 -0.096 0.000 1.374 484 I CB -0.150 37.709 38.000 -0.236 0.000 1.057 484 I HN 0.136 nan 8.210 nan 0.000 0.413 485 L N -0.406 120.808 121.223 -0.014 0.000 2.046 485 L HA -0.237 4.101 4.340 -0.005 0.000 0.208 485 L C 2.694 179.621 176.870 0.094 0.000 1.077 485 L CA 1.462 56.343 54.840 0.069 0.000 0.747 485 L CB -0.624 41.517 42.059 0.136 0.000 0.896 485 L HN 0.247 nan 8.230 nan 0.000 0.432 486 S N -0.025 115.722 115.700 0.079 0.000 2.399 486 S HA -0.161 4.306 4.470 -0.005 0.000 0.231 486 S C 1.867 176.531 174.600 0.107 0.000 1.022 486 S CA 0.958 59.209 58.200 0.084 0.000 0.983 486 S CB -0.119 63.112 63.200 0.052 0.000 0.803 486 S HN 0.277 nan 8.310 nan 0.000 0.480 487 L N 1.509 122.801 121.223 0.115 0.000 2.109 487 L HA 0.200 4.537 4.340 -0.005 0.000 0.207 487 L C 1.949 179.027 176.870 0.346 0.000 1.086 487 L CA 1.529 56.479 54.840 0.183 0.000 0.760 487 L CB -0.633 41.474 42.059 0.080 0.000 0.910 487 L HN 0.374 nan 8.230 nan 0.000 0.437 488 I N -0.222 120.524 120.570 0.293 0.000 2.226 488 I HA -0.312 3.855 4.170 -0.005 0.000 0.245 488 I C 2.107 178.333 176.117 0.181 0.000 1.100 488 I CA 1.131 62.553 61.300 0.204 0.000 1.374 488 I CB -0.548 37.502 38.000 0.083 0.000 1.057 488 I HN 0.348 nan 8.210 nan 0.000 0.413 489 N N 0.733 119.514 118.700 0.136 0.000 2.137 489 N HA -0.257 4.481 4.740 -0.005 0.000 0.190 489 N C 1.755 177.325 175.510 0.101 0.000 1.017 489 N CA 1.452 54.556 53.050 0.090 0.000 0.859 489 N CB -0.295 38.231 38.487 0.064 0.000 1.002 489 N HN 0.417 nan 8.380 nan 0.000 0.428 490 E N 0.076 120.358 120.200 0.136 0.000 2.085 490 E HA -0.187 4.160 4.350 -0.005 0.000 0.194 490 E C 1.791 178.428 176.600 0.062 0.000 0.994 490 E CA 1.233 57.688 56.400 0.091 0.000 0.801 490 E CB -0.078 29.670 29.700 0.079 0.000 0.743 490 E HN 0.503 nan 8.360 nan 0.000 0.453 491 H N -0.173 118.939 119.070 0.069 0.000 2.353 491 H HA -0.049 4.504 4.556 -0.005 0.000 0.300 491 H C 2.337 177.684 175.328 0.032 0.000 1.090 491 H CA 1.653 57.734 56.048 0.055 0.000 1.327 491 H CB 0.049 29.844 29.762 0.056 0.000 1.383 491 H HN 0.165 nan 8.280 nan 0.000 0.508 492 R N 0.197 120.788 120.500 0.151 0.000 2.075 492 R HA -0.072 4.265 4.340 -0.005 0.000 0.232 492 R C 2.551 178.876 176.300 0.042 0.000 1.126 492 R CA 1.149 57.296 56.100 0.079 0.000 0.963 492 R CB -0.133 30.203 30.300 0.059 0.000 0.858 492 R HN 0.249 nan 8.270 nan 0.000 0.435 493 I N 0.786 121.372 120.570 0.027 0.000 2.252 493 I HA -0.259 3.908 4.170 -0.005 0.000 0.245 493 I C 2.197 178.324 176.117 0.016 0.000 1.102 493 I CA 1.156 62.461 61.300 0.009 0.000 1.385 493 I CB -0.183 37.822 38.000 0.008 0.000 1.064 493 I HN 0.128 nan 8.210 nan 0.000 0.414 494 L N 0.391 121.622 121.223 0.014 0.000 2.131 494 L HA -0.189 4.148 4.340 -0.005 0.000 0.210 494 L C 2.436 179.313 176.870 0.011 0.000 1.092 494 L CA 1.564 56.405 54.840 0.003 0.000 0.759 494 L CB -0.474 41.569 42.059 -0.027 0.000 0.903 494 L HN 0.376 nan 8.230 nan 0.000 0.435 495 S N -0.979 114.734 115.700 0.023 0.000 2.631 495 S HA 0.177 4.644 4.470 -0.005 0.000 0.217 495 S C 1.373 175.985 174.600 0.020 0.000 0.958 495 S CA 0.269 58.484 58.200 0.026 0.000 0.920 495 S CB 0.359 63.584 63.200 0.041 0.000 0.776 495 S HN 0.526 nan 8.310 nan 0.000 0.517 496 G N 1.095 109.904 108.800 0.016 0.000 2.137 496 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.237 496 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.237 496 G C -0.008 174.895 174.900 0.005 0.000 1.002 496 G CA -0.135 44.971 45.100 0.010 0.000 0.702 496 G HN 0.605 nan 8.290 nan 0.000 0.515 497 R N 0.092 120.596 120.500 0.007 0.000 2.720 497 R HA 0.572 4.909 4.340 -0.005 0.000 0.272 497 R C -2.402 173.887 176.300 -0.019 0.000 0.991 497 R CA -1.946 54.154 56.100 -0.000 0.000 1.010 497 R CB 1.091 31.404 30.300 0.022 0.000 1.141 497 R HN 0.076 nan 8.270 nan 0.000 0.494 498 P HA 0.109 nan 4.420 nan 0.000 0.272 498 P C -2.425 174.871 177.300 -0.008 0.000 1.240 498 P CA -1.173 61.906 63.100 -0.035 0.000 0.791 498 P CB 0.016 31.641 31.700 -0.126 0.000 0.978 499 P HA 0.125 nan 4.420 nan 0.000 0.274 499 P C 0.788 178.128 177.300 0.066 0.000 1.256 499 P CA -0.138 62.918 63.100 -0.074 0.000 0.795 499 P CB 0.702 32.216 31.700 -0.311 0.000 1.038 500 L N -0.340 120.917 121.223 0.056 0.000 2.083 500 L HA -0.060 4.277 4.340 -0.005 0.000 0.209 500 L C 1.920 178.856 176.870 0.110 0.000 1.083 500 L CA 1.721 56.628 54.840 0.112 0.000 0.752 500 L CB -1.303 40.819 42.059 0.105 0.000 0.899 500 L HN 0.725 nan 8.230 nan 0.000 0.433 501 G N 0.160 108.962 108.800 0.003 0.000 2.596 501 G HA2 -0.409 3.548 3.960 -0.005 0.000 0.295 501 G HA3 -0.409 3.548 3.960 -0.005 0.000 0.295 501 G C -0.121 174.844 174.900 0.108 0.000 1.240 501 G CA 0.277 45.322 45.100 -0.092 0.000 0.985 501 G HN 0.149 nan 8.290 nan 0.000 0.555 502 F N 1.676 121.612 119.950 -0.023 0.000 2.519 502 F HA 0.497 5.021 4.527 -0.005 0.000 0.375 502 F C 1.259 177.098 175.800 0.065 0.000 1.084 502 F CA -0.461 57.564 58.000 0.042 0.000 1.147 502 F CB 0.818 39.861 39.000 0.072 0.000 1.088 502 F HN 0.500 nan 8.300 nan 0.000 0.555 503 L N 5.454 126.584 121.223 -0.156 0.000 2.416 503 L HA 0.081 4.418 4.340 -0.005 0.000 0.216 503 L C 1.631 178.265 176.870 -0.393 0.000 1.098 503 L CA 1.151 55.891 54.840 -0.166 0.000 0.840 503 L CB -0.729 41.341 42.059 0.018 0.000 0.981 503 L HN 0.540 nan 8.230 nan 0.000 0.462 504 N N 0.455 118.689 118.700 -0.777 0.000 2.084 504 N HA -0.098 4.639 4.740 -0.005 0.000 0.190 504 N C -0.942 174.166 175.510 -0.671 0.000 1.030 504 N CA 1.756 54.439 53.050 -0.612 0.000 0.849 504 N CB -1.530 36.482 38.487 -0.792 0.000 1.012 504 N HN 0.257 nan 8.380 nan 0.000 0.423 505 P HA -0.160 nan 4.420 nan 0.000 0.215 505 P C 1.404 178.557 177.300 -0.245 0.000 1.157 505 P CA 1.448 64.241 63.100 -0.512 0.000 0.874 505 P CB 0.066 31.544 31.700 -0.369 0.000 0.790 506 R N -0.672 119.686 120.500 -0.237 0.000 2.075 506 R HA -0.091 4.246 4.340 -0.005 0.000 0.232 506 R C 2.183 178.370 176.300 -0.188 0.000 1.126 506 R CA 1.035 57.025 56.100 -0.183 0.000 0.963 506 R CB -1.109 29.112 30.300 -0.132 0.000 0.858 506 R HN 0.036 nan 8.270 nan 0.000 0.435 507 L N -0.001 121.119 121.223 -0.172 0.000 2.046 507 L HA -0.154 4.183 4.340 -0.005 0.000 0.208 507 L C 1.673 178.282 176.870 -0.434 0.000 1.077 507 L CA 1.764 56.450 54.840 -0.256 0.000 0.747 507 L CB -0.514 41.452 42.059 -0.155 0.000 0.896 507 L HN 0.209 nan 8.230 nan 0.000 0.432 508 Y N -0.409 119.734 120.300 -0.261 0.000 2.220 508 Y HA -0.168 4.379 4.550 -0.005 0.000 0.291 508 Y C 2.706 178.386 175.900 -0.366 0.000 1.129 508 Y CA 1.500 59.517 58.100 -0.139 0.000 1.161 508 Y CB -0.429 38.150 38.460 0.198 0.000 0.997 508 Y HN 0.282 nan 8.280 nan 0.000 0.522 509 Q N -0.057 119.652 119.800 -0.150 0.000 2.135 509 Q HA -0.246 4.091 4.340 -0.005 0.000 0.204 509 Q C 1.337 177.103 176.000 -0.389 0.000 0.981 509 Q CA 1.529 57.181 55.803 -0.252 0.000 0.856 509 Q CB -0.194 28.450 28.738 -0.157 0.000 0.902 509 Q HN 0.601 nan 8.270 nan 0.000 0.425 510 Q N -0.345 119.233 119.800 -0.370 0.000 2.247 510 Q HA 0.010 4.347 4.340 -0.005 0.000 0.205 510 Q C -0.840 174.939 176.000 -0.369 0.000 0.896 510 Q CA -0.111 55.518 55.803 -0.289 0.000 0.950 510 Q CB 0.173 28.768 28.738 -0.239 0.000 1.054 510 Q HN 0.442 nan 8.270 nan 0.000 0.482 511 H N -0.564 118.168 119.070 -0.564 0.000 2.594 511 H HA -0.205 4.348 4.556 -0.005 0.000 0.316 511 H C 1.096 175.674 175.328 -1.250 0.000 1.107 511 H CA 0.609 56.111 56.048 -0.910 0.000 1.133 511 H CB -1.926 27.651 29.762 -0.309 0.000 1.459 511 H HN 0.608 nan 8.280 nan 0.000 0.411 512 G N -1.541 106.352 108.800 -1.511 0.000 2.203 512 G HA2 -0.164 3.793 3.960 -0.005 0.000 0.263 512 G HA3 -0.164 3.793 3.960 -0.005 0.000 0.263 512 G C 0.596 175.302 174.900 -0.323 0.000 1.012 512 G CA 0.313 44.857 45.100 -0.926 0.000 0.749 512 G HN 1.302 nan 8.290 nan 0.000 0.512 513 A N -0.810 121.842 122.820 -0.280 0.000 2.540 513 A HA 0.633 4.950 4.320 -0.005 0.000 0.239 513 A C 2.015 179.547 177.584 -0.088 0.000 1.061 513 A CA 1.858 53.816 52.037 -0.132 0.000 0.758 513 A CB 0.050 18.981 19.000 -0.115 0.000 0.991 513 A HN 2.402 nan 8.150 nan 0.000 0.502 514 G N 0.744 109.521 108.800 -0.037 0.000 2.195 514 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.246 514 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.246 514 G C 0.040 174.965 174.900 0.042 0.000 0.984 514 G CA 0.320 45.409 45.100 -0.017 0.000 0.633 514 G HN 0.848 nan 8.290 nan 0.000 0.525 515 L N 0.253 121.517 121.223 0.070 0.000 2.334 515 L HA 0.681 5.018 4.340 -0.005 0.000 0.275 515 L C 0.459 177.445 176.870 0.194 0.000 1.036 515 L CA -1.303 53.633 54.840 0.159 0.000 0.807 515 L CB 1.303 43.477 42.059 0.192 0.000 1.231 515 L HN 0.114 nan 8.230 nan 0.000 0.438 516 F N 2.384 122.413 119.950 0.132 0.000 2.471 516 F HA 0.091 4.615 4.527 -0.005 0.000 0.365 516 F C 0.537 176.414 175.800 0.128 0.000 1.095 516 F CA -0.492 57.588 58.000 0.133 0.000 1.174 516 F CB 0.332 39.430 39.000 0.163 0.000 1.105 516 F HN 0.412 nan 8.300 nan 0.000 0.535 517 D N 5.924 126.014 120.400 -0.517 0.000 2.358 517 D HA 0.118 4.755 4.640 -0.005 0.000 0.258 517 D C -0.697 175.320 176.300 -0.471 0.000 1.223 517 D CA 0.017 53.819 54.000 -0.329 0.000 0.886 517 D CB 0.910 41.589 40.800 -0.201 0.000 1.120 517 D HN 0.270 nan 8.370 nan 0.000 0.482 518 V N 4.173 124.001 119.914 -0.143 0.000 2.461 518 V HA 0.271 4.388 4.120 -0.005 0.000 0.275 518 V C 1.467 177.530 176.094 -0.052 0.000 1.047 518 V CA 0.271 62.558 62.300 -0.021 0.000 0.955 518 V CB 1.144 33.015 31.823 0.081 0.000 0.988 518 V HN 0.837 nan 8.190 nan 0.000 0.471 519 T N 1.306 115.851 114.554 -0.015 0.000 3.041 519 T HA 0.296 4.643 4.350 -0.005 0.000 0.276 519 T C 0.548 175.270 174.700 0.037 0.000 0.948 519 T CA -0.404 61.695 62.100 -0.002 0.000 0.885 519 T CB 0.401 69.263 68.868 -0.010 0.000 1.175 519 T HN 0.361 nan 8.240 nan 0.000 0.529 520 R N 1.393 121.925 120.500 0.053 0.000 2.514 520 R HA 0.785 5.122 4.340 -0.005 0.000 0.301 520 R C 0.546 176.875 176.300 0.048 0.000 0.962 520 R CA 0.187 56.323 56.100 0.060 0.000 0.882 520 R CB 0.999 31.343 30.300 0.073 0.000 1.143 520 R HN 0.635 nan 8.270 nan 0.000 0.452 521 G N 0.767 109.590 108.800 0.039 0.000 2.619 521 G HA2 -0.131 3.827 3.960 -0.005 0.000 0.686 521 G HA3 -0.131 3.827 3.960 -0.005 0.000 0.686 521 G C -0.964 173.943 174.900 0.012 0.000 1.256 521 G CA -0.807 44.311 45.100 0.030 0.000 0.826 521 G HN 0.694 nan 8.290 nan 0.000 0.619 522 c N 0.666 119.279 118.600 0.022 0.000 2.802 522 c HA 0.913 5.480 4.570 -0.005 0.000 0.307 522 c C 0.482 174.639 174.090 0.112 0.000 1.222 522 c CA -0.566 55.779 56.329 0.028 0.000 1.580 522 c CB 1.072 43.597 42.510 0.026 0.000 2.119 522 c HN 1.148 nan 8.230 nan 0.000 0.479 523 H N -0.084 118.979 119.070 -0.012 0.000 2.517 523 H HA 0.659 5.213 4.556 -0.005 0.000 0.346 523 H C -0.272 175.033 175.328 -0.038 0.000 1.222 523 H CA -0.624 55.417 56.048 -0.012 0.000 1.314 523 H CB 0.850 30.578 29.762 -0.055 0.000 1.609 523 H HN 0.788 nan 8.280 nan 0.000 0.571 524 E N 0.987 121.184 120.200 -0.006 0.000 2.345 524 E HA 0.424 4.772 4.350 -0.005 0.000 0.259 524 E C -0.558 175.899 176.600 -0.238 0.000 1.117 524 E CA -0.883 55.478 56.400 -0.065 0.000 0.913 524 E CB 1.750 31.464 29.700 0.023 0.000 1.057 524 E HN 0.519 nan 8.360 nan 0.000 0.432 525 S N 0.291 115.909 115.700 -0.137 0.000 3.003 525 S HA 0.248 4.715 4.470 -0.005 0.000 0.313 525 S C -0.957 173.645 174.600 0.003 0.000 1.230 525 S CA -0.649 57.492 58.200 -0.098 0.000 0.977 525 S CB 0.294 63.437 63.200 -0.095 0.000 1.340 525 S HN 0.749 nan 8.310 nan 0.000 0.608 526 c N 2.822 121.473 118.600 0.084 0.000 2.437 526 c HA 0.167 4.734 4.570 -0.005 0.000 0.399 526 c C 0.808 174.924 174.090 0.044 0.000 1.478 526 c CA -0.016 56.339 56.329 0.043 0.000 1.538 526 c CB -1.900 40.666 42.510 0.093 0.000 2.506 526 c HN 0.550 nan 8.230 nan 0.000 0.603 527 L N 4.949 126.183 121.223 0.020 0.000 2.384 527 L HA 0.213 4.550 4.340 -0.005 0.000 0.258 527 L C 0.302 177.212 176.870 0.066 0.000 1.266 527 L CA 0.437 55.293 54.840 0.027 0.000 1.162 527 L CB -1.048 41.016 42.059 0.009 0.000 1.375 527 L HN 0.819 nan 8.230 nan 0.000 0.420 528 D N -1.079 119.378 120.400 0.095 0.000 2.744 528 D HA 0.091 4.728 4.640 -0.005 0.000 0.304 528 D C 0.546 176.900 176.300 0.091 0.000 1.179 528 D CA -0.765 53.322 54.000 0.145 0.000 1.024 528 D CB 0.614 41.608 40.800 0.322 0.000 1.453 528 D HN 0.211 nan 8.370 nan 0.000 0.529 529 E N -0.765 119.486 120.200 0.084 0.000 2.427 529 E HA -0.062 4.285 4.350 -0.005 0.000 0.196 529 E C 1.002 177.619 176.600 0.028 0.000 1.028 529 E CA 0.665 57.090 56.400 0.041 0.000 0.864 529 E CB 0.241 29.957 29.700 0.027 0.000 0.813 529 E HN 0.596 nan 8.360 nan 0.000 0.514 530 E N 1.002 121.229 120.200 0.044 0.000 2.152 530 E HA -0.068 4.280 4.350 -0.005 0.000 0.195 530 E C 1.952 178.498 176.600 -0.091 0.000 0.934 530 E CA 0.881 57.281 56.400 0.000 0.000 0.869 530 E CB 0.717 30.462 29.700 0.074 0.000 0.842 530 E HN 0.205 nan 8.360 nan 0.000 0.472 531 V N -2.059 117.778 119.914 -0.128 0.000 3.661 531 V HA 0.248 4.365 4.120 -0.005 0.000 0.271 531 V C 0.014 176.068 176.094 -0.067 0.000 1.315 531 V CA 0.199 62.395 62.300 -0.173 0.000 1.072 531 V CB 0.058 31.695 31.823 -0.310 0.000 0.830 531 V HN 0.236 nan 8.190 nan 0.000 0.443 532 E N 1.138 121.324 120.200 -0.024 0.000 2.297 532 E HA -0.253 4.094 4.350 -0.005 0.000 0.228 532 E C 1.224 177.812 176.600 -0.021 0.000 1.213 532 E CA 0.513 56.905 56.400 -0.015 0.000 0.712 532 E CB -1.765 27.919 29.700 -0.025 0.000 1.202 532 E HN 1.363 nan 8.360 nan 0.000 0.376 533 G N -0.166 108.628 108.800 -0.010 0.000 2.162 533 G HA2 -0.350 3.607 3.960 -0.005 0.000 0.260 533 G HA3 -0.350 3.607 3.960 -0.005 0.000 0.260 533 G C 0.059 174.939 174.900 -0.032 0.000 0.976 533 G CA 0.744 45.832 45.100 -0.020 0.000 0.655 533 G HN 0.343 nan 8.290 nan 0.000 0.533 534 Q N -0.313 119.465 119.800 -0.037 0.000 2.353 534 Q HA 0.598 4.935 4.340 -0.005 0.000 0.268 534 Q C 0.756 176.715 176.000 -0.068 0.000 1.045 534 Q CA -0.248 55.532 55.803 -0.039 0.000 0.811 534 Q CB 2.157 30.875 28.738 -0.033 0.000 1.305 534 Q HN 0.306 nan 8.270 nan 0.000 0.447 535 G N 1.226 109.950 108.800 -0.127 0.000 3.329 535 G HA2 0.405 4.362 3.960 -0.005 0.000 0.180 535 G HA3 0.405 4.362 3.960 -0.005 0.000 0.180 535 G C -0.450 174.350 174.900 -0.165 0.000 1.640 535 G CA -0.369 44.491 45.100 -0.401 0.000 1.018 535 G HN 0.392 nan 8.290 nan 0.000 0.581 536 F N -0.257 119.823 119.950 0.218 0.000 2.440 536 F HA 0.449 4.973 4.527 -0.005 0.000 0.323 536 F C 0.774 176.545 175.800 -0.047 0.000 1.192 536 F CA -0.551 57.497 58.000 0.080 0.000 1.252 536 F CB 0.628 39.609 39.000 -0.032 0.000 1.214 536 F HN 0.104 nan 8.300 nan 0.000 0.578 537 c N 1.040 119.799 118.600 0.265 0.000 2.493 537 c HA 0.577 5.144 4.570 -0.005 0.000 0.326 537 c C 0.053 174.211 174.090 0.113 0.000 1.200 537 c CA -1.110 55.303 56.329 0.140 0.000 1.739 537 c CB 1.073 43.711 42.510 0.213 0.000 2.300 537 c HN 0.896 nan 8.230 nan 0.000 0.500 538 S N 1.713 117.413 115.700 -0.001 0.000 2.593 538 S HA 0.765 5.232 4.470 -0.005 0.000 0.269 538 S C 0.031 174.665 174.600 0.056 0.000 1.334 538 S CA 0.151 58.322 58.200 -0.048 0.000 1.015 538 S CB 1.101 64.249 63.200 -0.087 0.000 0.912 538 S HN 1.329 nan 8.310 nan 0.000 0.541 539 G N 0.124 108.943 108.800 0.032 0.000 2.682 539 G HA2 0.618 4.575 3.960 -0.005 0.000 0.303 539 G HA3 0.618 4.575 3.960 -0.005 0.000 0.303 539 G C -3.551 171.368 174.900 0.032 0.000 1.341 539 G CA -1.416 43.725 45.100 0.068 0.000 0.784 539 G HN 0.563 nan 8.290 nan 0.000 0.497 540 P HA 0.381 nan 4.420 nan 0.000 0.264 540 P C 0.881 178.226 177.300 0.075 0.000 1.193 540 P CA 1.854 64.980 63.100 0.043 0.000 0.763 540 P CB 0.840 32.569 31.700 0.049 0.000 0.810 541 G N 2.457 111.307 108.800 0.084 0.000 2.562 541 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.250 541 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.250 541 G C -0.948 173.942 174.900 -0.017 0.000 1.269 541 G CA -0.316 44.877 45.100 0.154 0.000 0.919 541 G HN 0.621 nan 8.290 nan 0.000 0.574 542 W N 2.936 123.957 121.300 -0.465 0.000 2.253 542 W HA 0.491 5.148 4.660 -0.005 0.000 0.322 542 W C 0.427 176.639 176.519 -0.511 0.000 1.342 542 W CA 0.643 57.487 57.345 -0.835 0.000 1.218 542 W CB 0.310 28.908 29.460 -1.437 0.000 1.205 542 W HN 0.900 nan 8.180 nan 0.000 0.551 543 D N 4.983 124.558 120.400 -1.375 0.000 2.552 543 D HA 0.384 5.021 4.640 -0.005 0.000 0.239 543 D C -2.531 172.452 176.300 -2.196 0.000 1.139 543 D CA -1.929 51.081 54.000 -1.650 0.000 0.914 543 D CB 2.109 42.445 40.800 -0.773 0.000 1.461 543 D HN 0.120 nan 8.370 nan 0.000 0.462 544 P HA 0.106 nan 4.420 nan 0.000 0.244 544 P C 0.114 176.869 177.300 -0.908 0.000 1.632 544 P CA -0.141 62.103 63.100 -1.426 0.000 0.944 544 P CB 0.310 31.163 31.700 -1.413 0.000 1.569 545 V N -0.790 118.631 119.914 -0.822 0.000 3.359 545 V HA 0.056 4.173 4.120 -0.005 0.000 0.245 545 V C 1.858 177.713 176.094 -0.399 0.000 1.247 545 V CA 1.646 63.584 62.300 -0.604 0.000 1.145 545 V CB 0.012 31.468 31.823 -0.612 0.000 0.906 545 V HN 0.278 nan 8.190 nan 0.000 0.464 546 T N -3.309 110.970 114.554 -0.459 0.000 3.130 546 T HA 0.488 4.835 4.350 -0.005 0.000 0.288 546 T C 1.175 175.658 174.700 -0.361 0.000 0.936 546 T CA 0.802 62.721 62.100 -0.301 0.000 0.897 546 T CB 0.867 69.621 68.868 -0.189 0.000 1.178 546 T HN 0.903 nan 8.240 nan 0.000 0.543 547 G N 1.466 109.871 108.800 -0.658 0.000 2.596 547 G HA2 -0.332 3.625 3.960 -0.005 0.000 0.295 547 G HA3 -0.332 3.625 3.960 -0.005 0.000 0.295 547 G C 0.494 175.008 174.900 -0.643 0.000 1.240 547 G CA 0.468 45.082 45.100 -0.810 0.000 0.985 547 G HN 0.451 nan 8.290 nan 0.000 0.555 548 W N 1.327 122.516 121.300 -0.185 0.000 2.467 548 W HA 0.361 5.018 4.660 -0.004 0.000 0.275 548 W C 1.912 178.390 176.519 -0.069 0.000 1.239 548 W CA 1.844 59.134 57.345 -0.093 0.000 1.266 548 W CB -0.140 29.265 29.460 -0.092 0.000 1.112 548 W HN 1.639 nan 8.180 nan 0.000 0.576 549 G N -0.410 108.474 108.800 0.140 0.000 2.295 549 G HA2 -0.014 3.943 3.960 -0.005 0.000 0.195 549 G HA3 -0.014 3.943 3.960 -0.005 0.000 0.195 549 G C -0.449 174.603 174.900 0.252 0.000 1.269 549 G CA -0.412 44.776 45.100 0.146 0.000 1.170 549 G HN 0.147 nan 8.290 nan 0.000 0.511 550 T N -0.034 114.722 114.554 0.336 0.000 2.918 550 T HA 0.792 5.139 4.350 -0.005 0.000 0.286 550 T C -3.031 171.813 174.700 0.241 0.000 1.026 550 T CA -1.388 60.913 62.100 0.335 0.000 1.031 550 T CB 2.834 71.936 68.868 0.391 0.000 1.046 550 T HN 0.581 nan 8.240 nan 0.000 0.479 551 P HA 0.270 nan 4.420 nan 0.000 0.287 551 P C -1.019 176.268 177.300 -0.022 0.000 1.307 551 P CA -0.409 62.558 63.100 -0.222 0.000 0.777 551 P CB 0.312 31.547 31.700 -0.775 0.000 0.883 552 N N 3.466 122.230 118.700 0.107 0.000 2.558 552 N HA 0.058 4.795 4.740 -0.005 0.000 0.233 552 N C 0.597 176.166 175.510 0.099 0.000 1.038 552 N CA -0.614 52.533 53.050 0.162 0.000 0.934 552 N CB -0.299 38.292 38.487 0.173 0.000 1.175 552 N HN 0.179 nan 8.380 nan 0.000 0.512 553 F N 7.222 127.169 119.950 -0.005 0.000 2.046 553 F HA 0.028 4.552 4.527 -0.005 0.000 0.297 553 F C -0.783 174.979 175.800 -0.063 0.000 1.123 553 F CA 1.406 59.369 58.000 -0.063 0.000 1.199 553 F CB -0.841 38.132 39.000 -0.046 0.000 0.972 553 F HN 0.438 nan 8.300 nan 0.000 0.474 554 P HA -0.172 nan 4.420 nan 0.000 0.216 554 P C 1.377 178.509 177.300 -0.280 0.000 1.150 554 P CA 2.462 65.361 63.100 -0.335 0.000 0.837 554 P CB -0.429 31.249 31.700 -0.037 0.000 0.786 555 A N -0.300 122.430 122.820 -0.151 0.000 1.897 555 A HA -0.094 4.223 4.320 -0.005 0.000 0.215 555 A C 2.232 179.726 177.584 -0.150 0.000 1.181 555 A CA 1.183 53.154 52.037 -0.110 0.000 0.620 555 A CB -1.562 17.421 19.000 -0.029 0.000 0.821 555 A HN 0.170 nan 8.150 nan 0.000 0.443 556 L N -0.543 120.579 121.223 -0.169 0.000 2.093 556 L HA -0.074 4.263 4.340 -0.005 0.000 0.208 556 L C 2.227 178.950 176.870 -0.245 0.000 1.085 556 L CA 1.836 56.578 54.840 -0.164 0.000 0.755 556 L CB -0.611 41.371 42.059 -0.128 0.000 0.904 556 L HN 0.376 nan 8.230 nan 0.000 0.435 557 L N -0.114 120.844 121.223 -0.443 0.000 2.013 557 L HA -0.262 4.075 4.340 -0.005 0.000 0.212 557 L C 2.442 179.126 176.870 -0.310 0.000 1.073 557 L CA 1.967 56.502 54.840 -0.508 0.000 0.753 557 L CB -0.782 40.721 42.059 -0.926 0.000 0.890 557 L HN 0.246 nan 8.230 nan 0.000 0.432 558 K N -1.013 119.227 120.400 -0.266 0.000 2.152 558 K HA -0.170 4.147 4.320 -0.005 0.000 0.206 558 K C 1.840 178.365 176.600 -0.124 0.000 1.048 558 K CA 1.847 58.033 56.287 -0.168 0.000 0.933 558 K CB -0.479 31.940 32.500 -0.134 0.000 0.721 558 K HN 0.697 nan 8.250 nan 0.000 0.447 559 T N -1.563 112.915 114.554 -0.127 0.000 3.113 559 T HA 0.060 4.407 4.350 -0.005 0.000 0.256 559 T C 1.092 175.737 174.700 -0.092 0.000 1.131 559 T CA 0.346 62.385 62.100 -0.103 0.000 1.074 559 T CB 0.056 68.860 68.868 -0.106 0.000 0.944 559 T HN 0.053 nan 8.240 nan 0.000 0.516 560 L N 0.542 121.711 121.223 -0.089 0.000 3.255 560 L HA 0.486 4.823 4.340 -0.005 0.000 0.293 560 L C 1.042 177.899 176.870 -0.023 0.000 1.302 560 L CA -0.122 54.689 54.840 -0.048 0.000 0.977 560 L CB 0.419 42.455 42.059 -0.039 0.000 1.390 560 L HN 0.202 nan 8.230 nan 0.000 0.588 561 L N -0.545 120.659 121.223 -0.032 0.000 2.445 561 L HA 0.253 4.590 4.340 -0.005 0.000 0.207 561 L C 0.387 177.265 176.870 0.014 0.000 1.053 561 L CA 0.446 55.281 54.840 -0.008 0.000 0.841 561 L CB 0.481 42.523 42.059 -0.028 0.000 1.074 561 L HN 0.333 nan 8.230 nan 0.000 0.479 562 N N 0.226 118.925 118.700 -0.003 0.000 2.397 562 N HA 0.324 5.062 4.740 -0.005 0.000 0.291 562 N C -2.495 172.996 175.510 -0.031 0.000 1.065 562 N CA -1.224 51.828 53.050 0.003 0.000 0.884 562 N CB 1.700 40.185 38.487 -0.003 0.000 1.551 562 N HN -0.144 nan 8.380 nan 0.000 0.487 563 P HA 0.000 nan 4.420 nan 0.000 0.216 563 P CA 0.000 63.134 63.100 0.056 0.000 0.800 563 P CB 0.000 31.705 31.700 0.009 0.000 0.726