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 2e5d_1_B DATA FIRST_RESID 8 DATA SEQUENCE EFNILLATDS YKVTHYKQYP PNTSKVYSYF ECREKXXXXX XXXXXKYEET DATA SEQUENCE VFYGLQYILN KYLKGKVVTK EKIQEAKDVY KEHFQDDVFN EKGWNYILEK DATA SEQUENCE YDGHLPIEIK AVPEGFVIPR GNVLFTVENT DPECYWLTNW IETILVQSWY DATA SEQUENCE PITVATNSRE QKKILAKYLL ETSGNLDGLE YKLHDFGYRG VSSQETAGIG DATA SEQUENCE ASAHLVNFKG TDTVAGLALI KKYYGTKDPV PGYSVPAAEH STITAWGKDH DATA SEQUENCE EKDAFEHIVT QFSSVPVSVV SDSYDIYNAC EKIWGEDLRH LIVSRSTQAP DATA SEQUENCE LIIRPDSGNP LDTVLKVLEI LGKKFPVTEN SKGYKLLPPY LRVIQGDGVD DATA SEQUENCE INTLQEIVEG MKQKMWSIEN IAFGSGGGLL QKLTRDLLNC SFKCSYVVTN DATA SEQUENCE GLGINVFKDP VADPNKRSKK GRLSLHRTPA GNFVTLEEGK GDLEEYGQDL DATA SEQUENCE LHTVFKNGKV TKSYSFDEIR KNAQLN 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.659 176.600 0.098 0.000 1.382 8 E CA 0.000 56.444 56.400 0.073 0.000 0.976 8 E CB 0.000 29.725 29.700 0.042 0.000 0.812 9 F N 4.035 124.003 119.950 0.030 0.000 2.529 9 F HA 0.318 4.840 4.527 -0.008 0.000 0.365 9 F C -0.179 175.627 175.800 0.011 0.000 1.102 9 F CA 0.300 58.327 58.000 0.045 0.000 1.271 9 F CB 0.560 39.651 39.000 0.151 0.000 1.120 9 F HN 0.367 nan 8.300 nan 0.000 0.579 10 N N 7.111 125.316 118.700 -0.825 0.000 2.531 10 N HA 0.141 4.877 4.740 -0.007 0.000 0.268 10 N C 0.593 175.567 175.510 -0.894 0.000 1.023 10 N CA -0.438 52.226 53.050 -0.643 0.000 0.896 10 N CB 0.894 39.149 38.487 -0.387 0.000 1.233 10 N HN 0.907 nan 8.380 nan 0.000 0.512 11 I N 2.789 122.995 120.570 -0.607 0.000 2.567 11 I HA -0.200 3.966 4.170 -0.007 0.000 0.257 11 I C 0.776 176.904 176.117 0.018 0.000 1.184 11 I CA 0.971 62.147 61.300 -0.208 0.000 1.451 11 I CB 0.348 38.456 38.000 0.180 0.000 1.089 11 I HN 0.480 nan 8.210 nan 0.000 0.441 12 L N 0.110 121.204 121.223 -0.215 0.000 2.376 12 L HA -0.078 4.258 4.340 -0.007 0.000 0.219 12 L C 1.736 178.769 176.870 0.272 0.000 1.133 12 L CA 1.323 56.139 54.840 -0.039 0.000 0.816 12 L CB -0.379 41.390 42.059 -0.483 0.000 0.933 12 L HN 0.233 nan 8.230 nan 0.000 0.449 13 L N -1.172 120.020 121.223 -0.051 0.000 2.728 13 L HA 0.315 4.651 4.340 -0.007 0.000 0.238 13 L C 1.098 177.903 176.870 -0.108 0.000 1.143 13 L CA -0.116 54.661 54.840 -0.105 0.000 0.937 13 L CB 0.037 41.917 42.059 -0.299 0.000 1.225 13 L HN 0.099 nan 8.230 nan 0.000 0.507 14 A N -0.325 122.449 122.820 -0.077 0.000 2.965 14 A HA 0.475 4.791 4.320 -0.007 0.000 0.304 14 A C 0.222 177.804 177.584 -0.002 0.000 1.214 14 A CA -0.013 51.991 52.037 -0.056 0.000 0.977 14 A CB 0.073 19.038 19.000 -0.058 0.000 1.127 14 A HN 0.131 nan 8.150 nan 0.000 0.572 15 T N -0.837 113.671 114.554 -0.077 0.000 2.883 15 T HA 0.350 4.696 4.350 -0.007 0.000 0.296 15 T C -1.326 173.298 174.700 -0.127 0.000 1.117 15 T CA -0.610 61.359 62.100 -0.219 0.000 1.006 15 T CB 1.065 69.483 68.868 -0.749 0.000 1.191 15 T HN 0.294 nan 8.240 nan 0.000 0.508 16 D N 2.035 122.393 120.400 -0.070 0.000 2.455 16 D HA 0.118 4.754 4.640 -0.007 0.000 0.241 16 D C 1.150 177.500 176.300 0.082 0.000 1.138 16 D CA 0.255 54.298 54.000 0.072 0.000 0.877 16 D CB 1.402 42.372 40.800 0.284 0.000 1.187 16 D HN 0.498 nan 8.370 nan 0.000 0.451 17 S N 1.845 117.633 115.700 0.147 0.000 2.372 17 S HA -0.264 4.202 4.470 -0.007 0.000 0.227 17 S C 1.859 176.658 174.600 0.332 0.000 1.044 17 S CA 1.405 59.752 58.200 0.246 0.000 1.050 17 S CB -0.504 62.853 63.200 0.262 0.000 0.901 17 S HN 0.722 nan 8.310 nan 0.000 0.447 18 Y N 1.150 121.453 120.300 0.006 0.000 2.333 18 Y HA 0.043 4.592 4.550 -0.002 0.000 0.290 18 Y C 1.842 177.371 175.900 -0.620 0.000 1.144 18 Y CA 0.797 58.829 58.100 -0.114 0.000 1.228 18 Y CB -0.385 38.068 38.460 -0.012 0.000 0.985 18 Y HN 0.082 nan 8.280 nan 0.000 0.542 19 K N 0.789 120.732 120.400 -0.761 0.000 2.362 19 K HA -0.060 4.255 4.320 -0.007 0.000 0.200 19 K C 1.812 178.115 176.600 -0.495 0.000 1.046 19 K CA 1.084 56.791 56.287 -0.966 0.000 0.952 19 K CB -0.064 32.115 32.500 -0.535 0.000 0.753 19 K HN 0.263 nan 8.250 nan 0.000 0.466 20 V N 1.282 120.960 119.914 -0.393 0.000 2.594 20 V HA -0.205 3.911 4.120 -0.007 0.000 0.253 20 V C 2.234 178.318 176.094 -0.017 0.000 1.069 20 V CA 2.225 64.442 62.300 -0.137 0.000 1.082 20 V CB -0.705 30.919 31.823 -0.331 0.000 0.680 20 V HN 0.529 nan 8.190 nan 0.000 0.469 21 T N -4.163 110.270 114.554 -0.202 0.000 3.086 21 T HA 0.049 4.394 4.350 -0.007 0.000 0.250 21 T C 1.361 176.012 174.700 -0.081 0.000 1.074 21 T CA 0.293 62.286 62.100 -0.177 0.000 0.988 21 T CB -0.468 68.270 68.868 -0.217 0.000 0.988 21 T HN 0.604 nan 8.240 nan 0.000 0.530 22 H N 0.085 119.141 119.070 -0.024 0.000 2.502 22 H HA 0.047 4.598 4.556 -0.008 0.000 0.283 22 H C 1.913 177.275 175.328 0.056 0.000 1.015 22 H CA 1.290 57.288 56.048 -0.084 0.000 1.298 22 H CB -0.152 29.559 29.762 -0.085 0.000 1.411 22 H HN 0.697 nan 8.280 nan 0.000 0.556 23 Y N 1.048 121.477 120.300 0.215 0.000 2.333 23 Y HA -0.068 4.477 4.550 -0.007 0.000 0.290 23 Y C 1.464 177.514 175.900 0.250 0.000 1.144 23 Y CA 0.682 58.930 58.100 0.248 0.000 1.228 23 Y CB -0.146 38.209 38.460 -0.174 0.000 0.985 23 Y HN -0.117 nan 8.280 nan 0.000 0.542 24 K N 0.341 120.419 120.400 -0.536 0.000 2.417 24 K HA 0.073 4.388 4.320 -0.007 0.000 0.196 24 K C 1.061 177.558 176.600 -0.173 0.000 1.023 24 K CA 0.320 56.359 56.287 -0.413 0.000 1.122 24 K CB 0.137 32.274 32.500 -0.604 0.000 0.850 24 K HN 0.595 nan 8.250 nan 0.000 0.521 25 Q N -0.916 118.815 119.800 -0.116 0.000 2.391 25 Q HA 0.096 4.432 4.340 -0.007 0.000 0.243 25 Q C -0.246 175.666 176.000 -0.146 0.000 0.874 25 Q CA -0.061 55.644 55.803 -0.164 0.000 0.950 25 Q CB 0.379 28.967 28.738 -0.250 0.000 1.103 25 Q HN 0.152 nan 8.270 nan 0.000 0.544 26 Y N 2.186 122.524 120.300 0.063 0.000 2.426 26 Y HA 0.073 4.619 4.550 -0.006 0.000 0.344 26 Y C -1.803 174.081 175.900 -0.026 0.000 1.256 26 Y CA -1.950 56.181 58.100 0.052 0.000 1.451 26 Y CB -0.374 38.191 38.460 0.174 0.000 1.342 26 Y HN 0.018 nan 8.280 nan 0.000 0.600 27 P HA 0.056 nan 4.420 nan 0.000 0.266 27 P C -2.536 174.738 177.300 -0.043 0.000 1.195 27 P CA -0.873 62.237 63.100 0.016 0.000 0.768 27 P CB -0.004 31.696 31.700 0.000 0.000 0.838 28 P HA -0.036 nan 4.420 nan 0.000 0.265 28 P C -0.112 177.120 177.300 -0.114 0.000 1.187 28 P CA 0.582 63.632 63.100 -0.082 0.000 0.766 28 P CB 0.073 31.742 31.700 -0.052 0.000 0.820 29 N N -1.191 117.419 118.700 -0.151 0.000 2.780 29 N HA -0.122 4.614 4.740 -0.007 0.000 0.248 29 N C -0.796 174.601 175.510 -0.189 0.000 1.102 29 N CA 0.998 53.960 53.050 -0.147 0.000 0.697 29 N CB -2.332 36.102 38.487 -0.088 0.000 1.028 29 N HN 0.362 nan 8.380 nan 0.000 0.554 30 T N 0.100 114.463 114.554 -0.319 0.000 2.749 30 T HA 0.344 4.690 4.350 -0.007 0.000 0.295 30 T C 1.422 175.933 174.700 -0.314 0.000 0.936 30 T CA 0.092 61.998 62.100 -0.323 0.000 1.060 30 T CB 1.129 69.774 68.868 -0.372 0.000 0.904 30 T HN 0.331 nan 8.240 nan 0.000 0.500 31 S N 2.524 118.138 115.700 -0.143 0.000 2.505 31 S HA 0.258 4.724 4.470 -0.007 0.000 0.216 31 S C 0.460 175.066 174.600 0.010 0.000 1.018 31 S CA -0.325 57.847 58.200 -0.046 0.000 0.911 31 S CB 0.273 63.455 63.200 -0.030 0.000 0.818 31 S HN 0.579 nan 8.310 nan 0.000 0.497 32 K N 0.832 121.222 120.400 -0.016 0.000 2.535 32 K HA 0.589 4.905 4.320 -0.007 0.000 0.251 32 K C -2.127 174.475 176.600 0.004 0.000 0.942 32 K CA -0.568 55.735 56.287 0.026 0.000 0.798 32 K CB 2.400 34.935 32.500 0.060 0.000 1.267 32 K HN 0.044 nan 8.250 nan 0.000 0.434 33 V N 4.771 124.710 119.914 0.042 0.000 2.487 33 V HA 0.372 4.487 4.120 -0.007 0.000 0.298 33 V C -1.341 174.869 176.094 0.194 0.000 1.028 33 V CA -0.775 61.558 62.300 0.055 0.000 0.860 33 V CB 1.312 33.090 31.823 -0.075 0.000 0.991 33 V HN 0.740 nan 8.190 nan 0.000 0.427 34 Y N 3.824 124.198 120.300 0.125 0.000 2.331 34 Y HA 0.717 5.263 4.550 -0.007 0.000 0.334 34 Y C 0.011 176.001 175.900 0.151 0.000 0.960 34 Y CA -0.022 58.181 58.100 0.172 0.000 1.130 34 Y CB 1.819 40.446 38.460 0.278 0.000 1.164 34 Y HN 0.647 nan 8.280 nan 0.000 0.458 35 S N 5.107 120.680 115.700 -0.211 0.000 2.671 35 S HA 0.641 5.107 4.470 -0.007 0.000 0.299 35 S C -1.732 172.575 174.600 -0.489 0.000 1.116 35 S CA -0.714 57.319 58.200 -0.277 0.000 0.912 35 S CB 1.773 64.790 63.200 -0.305 0.000 1.130 35 S HN 0.697 nan 8.310 nan 0.000 0.501 36 Y N -0.587 119.270 120.300 -0.738 0.000 2.625 36 Y HA 0.812 5.358 4.550 -0.006 0.000 0.338 36 Y C -1.837 173.663 175.900 -0.666 0.000 1.123 36 Y CA -1.529 56.209 58.100 -0.604 0.000 1.046 36 Y CB 0.936 39.197 38.460 -0.332 0.000 1.299 36 Y HN 0.578 nan 8.280 nan 0.000 0.464 37 F N 2.852 122.287 119.950 -0.859 0.000 2.482 37 F HA 0.607 5.130 4.527 -0.007 0.000 0.331 37 F C -0.767 174.786 175.800 -0.411 0.000 1.115 37 F CA -0.321 57.195 58.000 -0.807 0.000 0.955 37 F CB 1.409 39.602 39.000 -1.345 0.000 1.136 37 F HN 0.789 nan 8.300 nan 0.000 0.452 38 E N 3.612 123.396 120.200 -0.693 0.000 2.429 38 E HA 0.479 4.825 4.350 -0.007 0.000 0.276 38 E C -1.821 174.505 176.600 -0.457 0.000 0.953 38 E CA -1.135 55.082 56.400 -0.305 0.000 0.787 38 E CB 1.560 31.255 29.700 -0.009 0.000 1.307 38 E HN 0.512 nan 8.360 nan 0.000 0.458 39 C N 2.484 121.700 119.300 -0.141 0.000 2.146 39 C HA 0.383 4.839 4.460 -0.007 0.000 0.338 39 C C 0.392 175.354 174.990 -0.048 0.000 1.074 39 C CA -0.608 58.363 59.018 -0.079 0.000 1.527 39 C CB -1.558 26.219 27.740 0.061 0.000 1.915 39 C HN 0.532 nan 8.230 nan 0.000 0.453 40 R N 1.717 122.168 120.500 -0.081 0.000 2.638 40 R HA 0.031 4.367 4.340 -0.007 0.000 0.268 40 R C 0.534 176.832 176.300 -0.002 0.000 1.006 40 R CA 0.393 56.472 56.100 -0.035 0.000 1.088 40 R CB 0.726 31.000 30.300 -0.044 0.000 0.950 40 R HN 0.706 nan 8.270 nan 0.000 0.419 41 E N 2.743 122.951 120.200 0.013 0.000 2.390 41 E HA -0.010 4.336 4.350 -0.007 0.000 0.261 41 E C -0.164 176.451 176.600 0.025 0.000 1.076 41 E CA -0.183 56.232 56.400 0.026 0.000 0.905 41 E CB 0.627 30.343 29.700 0.027 0.000 0.984 41 E HN 0.491 nan 8.360 nan 0.000 0.427 54 Y N 0.175 120.494 120.300 0.032 0.000 3.091 54 Y HA -0.162 4.384 4.550 -0.007 0.000 0.189 54 Y C 0.182 176.104 175.900 0.038 0.000 1.520 54 Y CA 1.137 59.260 58.100 0.038 0.000 1.121 54 Y CB -2.374 36.114 38.460 0.047 0.000 1.411 54 Y HN 0.708 nan 8.280 nan 0.000 0.459 55 E N 0.590 120.862 120.200 0.119 0.000 2.150 55 E HA -0.093 4.253 4.350 -0.007 0.000 0.193 55 E C 0.681 177.336 176.600 0.092 0.000 0.985 55 E CA 1.621 58.073 56.400 0.088 0.000 0.814 55 E CB 0.071 29.802 29.700 0.052 0.000 0.752 55 E HN 0.782 nan 8.360 nan 0.000 0.466 56 E N 0.031 120.291 120.200 0.101 0.000 2.293 56 E HA 0.484 4.829 4.350 -0.007 0.000 0.270 56 E C -0.774 175.893 176.600 0.111 0.000 0.879 56 E CA -0.994 55.457 56.400 0.085 0.000 0.756 56 E CB 1.759 31.495 29.700 0.060 0.000 1.208 56 E HN -0.024 nan 8.360 nan 0.000 0.428 57 T N -1.199 113.415 114.554 0.101 0.000 2.856 57 T HA 0.448 4.794 4.350 -0.007 0.000 0.283 57 T C -0.098 174.677 174.700 0.125 0.000 1.008 57 T CA -0.824 61.354 62.100 0.131 0.000 0.997 57 T CB 1.380 70.347 68.868 0.166 0.000 0.992 57 T HN 0.284 nan 8.240 nan 0.000 0.454 58 V N 3.807 123.793 119.914 0.120 0.000 2.408 58 V HA 0.287 4.403 4.120 -0.007 0.000 0.267 58 V C -0.114 176.097 176.094 0.195 0.000 1.047 58 V CA -0.713 61.655 62.300 0.113 0.000 0.937 58 V CB -0.244 31.596 31.823 0.029 0.000 0.999 58 V HN 0.861 nan 8.190 nan 0.000 0.472 59 F N 7.677 127.684 119.950 0.094 0.000 2.438 59 F HA 0.525 5.048 4.527 -0.008 0.000 0.360 59 F C -0.562 175.323 175.800 0.141 0.000 1.118 59 F CA -0.397 57.672 58.000 0.116 0.000 1.164 59 F CB 0.122 39.184 39.000 0.102 0.000 1.131 59 F HN 0.531 nan 8.300 nan 0.000 0.527 60 Y N 4.380 124.323 120.300 -0.594 0.000 2.482 60 Y HA 0.526 5.072 4.550 -0.007 0.000 0.334 60 Y C 0.054 175.655 175.900 -0.500 0.000 1.091 60 Y CA -0.645 57.158 58.100 -0.495 0.000 1.027 60 Y CB 1.930 40.212 38.460 -0.297 0.000 1.306 60 Y HN 0.710 nan 8.280 nan 0.000 0.446 61 G N 3.350 111.435 108.800 -1.191 0.000 2.284 61 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.201 61 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.201 61 G C 0.469 175.097 174.900 -0.453 0.000 0.998 61 G CA 0.154 44.700 45.100 -0.923 0.000 0.651 61 G HN 0.950 nan 8.290 nan 0.000 0.489 62 L N 1.389 122.320 121.223 -0.487 0.000 2.046 62 L HA 0.113 4.448 4.340 -0.007 0.000 0.208 62 L C 2.666 179.416 176.870 -0.200 0.000 1.077 62 L CA 3.308 57.944 54.840 -0.339 0.000 0.747 62 L CB -0.579 41.299 42.059 -0.301 0.000 0.896 62 L HN 0.511 nan 8.230 nan 0.000 0.432 63 Q N -1.835 117.903 119.800 -0.103 0.000 2.112 63 Q HA -0.318 4.018 4.340 -0.007 0.000 0.206 63 Q C 2.267 178.130 176.000 -0.228 0.000 0.987 63 Q CA 2.310 58.050 55.803 -0.105 0.000 0.858 63 Q CB -0.496 28.204 28.738 -0.063 0.000 0.905 63 Q HN 0.678 nan 8.270 nan 0.000 0.420 64 Y N 0.633 120.698 120.300 -0.391 0.000 2.128 64 Y HA -0.258 4.288 4.550 -0.008 0.000 0.284 64 Y C 1.761 177.339 175.900 -0.537 0.000 1.154 64 Y CA 2.058 59.802 58.100 -0.594 0.000 1.149 64 Y CB -0.269 37.896 38.460 -0.493 0.000 0.976 64 Y HN 0.134 nan 8.280 nan 0.000 0.505 65 I N -0.188 120.171 120.570 -0.351 0.000 2.226 65 I HA -0.338 3.828 4.170 -0.007 0.000 0.245 65 I C 2.358 178.288 176.117 -0.312 0.000 1.100 65 I CA 1.355 62.471 61.300 -0.307 0.000 1.374 65 I CB -0.484 37.435 38.000 -0.136 0.000 1.057 65 I HN 0.277 nan 8.210 nan 0.000 0.413 66 L N 0.319 121.384 121.223 -0.263 0.000 2.046 66 L HA -0.235 4.100 4.340 -0.007 0.000 0.208 66 L C 2.096 178.893 176.870 -0.121 0.000 1.077 66 L CA 1.872 56.601 54.840 -0.184 0.000 0.747 66 L CB -0.805 41.218 42.059 -0.060 0.000 0.896 66 L HN 0.310 nan 8.230 nan 0.000 0.432 67 N N -0.325 118.267 118.700 -0.180 0.000 2.173 67 N HA -0.155 4.581 4.740 -0.007 0.000 0.184 67 N C 1.813 177.199 175.510 -0.207 0.000 1.025 67 N CA 0.827 53.814 53.050 -0.106 0.000 0.852 67 N CB 0.006 38.513 38.487 0.034 0.000 0.998 67 N HN 0.189 nan 8.380 nan 0.000 0.427 68 K N -0.707 119.364 120.400 -0.548 0.000 2.103 68 K HA -0.069 4.247 4.320 -0.007 0.000 0.204 68 K C 0.704 176.790 176.600 -0.857 0.000 1.052 68 K CA 1.254 57.035 56.287 -0.843 0.000 0.945 68 K CB 0.123 31.642 32.500 -1.635 0.000 0.722 68 K HN 0.235 nan 8.250 nan 0.000 0.443 69 Y N -1.007 119.036 120.300 -0.429 0.000 2.589 69 Y HA 0.201 4.748 4.550 -0.006 0.000 0.271 69 Y C 1.510 177.332 175.900 -0.130 0.000 1.107 69 Y CA -0.049 57.797 58.100 -0.423 0.000 1.273 69 Y CB 0.467 38.575 38.460 -0.586 0.000 1.266 69 Y HN -0.109 nan 8.280 nan 0.000 0.504 70 L N 0.321 121.541 121.223 -0.005 0.000 2.470 70 L HA 0.126 4.461 4.340 -0.007 0.000 0.219 70 L C 0.715 177.698 176.870 0.188 0.000 1.071 70 L CA 0.095 54.930 54.840 -0.008 0.000 0.850 70 L CB -0.028 41.800 42.059 -0.384 0.000 1.040 70 L HN -0.004 nan 8.230 nan 0.000 0.475 71 K N 0.751 121.282 120.400 0.218 0.000 2.126 71 K HA 0.537 4.853 4.320 -0.007 0.000 0.257 71 K C 0.543 177.167 176.600 0.039 0.000 1.007 71 K CA 0.206 56.649 56.287 0.260 0.000 0.928 71 K CB 0.986 33.598 32.500 0.188 0.000 1.013 71 K HN 0.047 nan 8.250 nan 0.000 0.473 72 G N 1.106 109.853 108.800 -0.088 0.000 2.642 72 G HA2 -0.319 3.637 3.960 -0.007 0.000 0.231 72 G HA3 -0.319 3.637 3.960 -0.007 0.000 0.231 72 G C -1.037 173.437 174.900 -0.711 0.000 1.338 72 G CA 0.056 44.951 45.100 -0.341 0.000 0.883 72 G HN 0.849 nan 8.290 nan 0.000 0.570 73 K N 0.579 120.682 120.400 -0.496 0.000 2.228 73 K HA 0.420 4.736 4.320 -0.007 0.000 0.284 73 K C 1.539 178.095 176.600 -0.073 0.000 1.088 73 K CA 0.293 56.423 56.287 -0.260 0.000 0.941 73 K CB 0.199 32.684 32.500 -0.026 0.000 1.158 73 K HN 1.186 nan 8.250 nan 0.000 0.438 74 V N 1.481 121.383 119.914 -0.021 0.000 3.660 74 V HA 0.171 4.287 4.120 -0.007 0.000 0.276 74 V C 0.137 176.268 176.094 0.061 0.000 1.317 74 V CA -0.223 62.117 62.300 0.067 0.000 1.097 74 V CB 0.529 32.434 31.823 0.137 0.000 0.863 74 V HN 0.213 nan 8.190 nan 0.000 0.438 75 V N 2.217 122.179 119.914 0.081 0.000 2.448 75 V HA 0.741 4.857 4.120 -0.007 0.000 0.295 75 V C 0.153 176.291 176.094 0.072 0.000 1.025 75 V CA 0.432 62.781 62.300 0.082 0.000 0.859 75 V CB 1.282 33.240 31.823 0.225 0.000 0.988 75 V HN 0.638 nan 8.190 nan 0.000 0.431 76 T N 0.565 115.140 114.554 0.035 0.000 2.887 76 T HA 0.472 4.818 4.350 -0.007 0.000 0.292 76 T C 0.651 175.371 174.700 0.034 0.000 1.087 76 T CA -0.841 61.281 62.100 0.037 0.000 1.009 76 T CB 2.232 71.111 68.868 0.018 0.000 1.203 76 T HN 0.313 nan 8.240 nan 0.000 0.518 77 K N 0.431 120.854 120.400 0.038 0.000 2.063 77 K HA -0.137 4.179 4.320 -0.007 0.000 0.208 77 K C 1.885 178.494 176.600 0.016 0.000 1.048 77 K CA 1.775 58.085 56.287 0.038 0.000 0.928 77 K CB -0.286 32.234 32.500 0.034 0.000 0.713 77 K HN 0.668 nan 8.250 nan 0.000 0.442 78 E N 0.556 120.755 120.200 -0.001 0.000 2.110 78 E HA -0.113 4.233 4.350 -0.007 0.000 0.193 78 E C 1.901 178.470 176.600 -0.052 0.000 0.988 78 E CA 1.251 57.638 56.400 -0.022 0.000 0.804 78 E CB 0.027 29.714 29.700 -0.022 0.000 0.745 78 E HN 0.221 nan 8.360 nan 0.000 0.458 79 K N 0.006 120.368 120.400 -0.062 0.000 2.103 79 K HA 0.002 4.318 4.320 -0.007 0.000 0.204 79 K C 2.062 178.577 176.600 -0.142 0.000 1.052 79 K CA 0.822 57.038 56.287 -0.119 0.000 0.945 79 K CB -0.063 32.358 32.500 -0.131 0.000 0.722 79 K HN 0.120 nan 8.250 nan 0.000 0.443 80 I N 0.845 121.379 120.570 -0.060 0.000 2.226 80 I HA -0.286 3.880 4.170 -0.007 0.000 0.245 80 I C 2.596 178.713 176.117 0.000 0.000 1.100 80 I CA 1.120 62.437 61.300 0.028 0.000 1.374 80 I CB -0.133 37.955 38.000 0.147 0.000 1.057 80 I HN 0.146 nan 8.210 nan 0.000 0.413 81 Q N 1.132 120.924 119.800 -0.013 0.000 2.079 81 Q HA -0.244 4.092 4.340 -0.007 0.000 0.200 81 Q C 2.011 177.946 176.000 -0.108 0.000 0.974 81 Q CA 1.757 57.543 55.803 -0.028 0.000 0.840 81 Q CB -0.190 28.541 28.738 -0.011 0.000 0.898 81 Q HN 0.460 nan 8.270 nan 0.000 0.430 82 E N -0.923 119.190 120.200 -0.144 0.000 2.058 82 E HA -0.225 4.121 4.350 -0.007 0.000 0.194 82 E C 1.713 178.122 176.600 -0.318 0.000 0.997 82 E CA 1.179 57.461 56.400 -0.197 0.000 0.801 82 E CB -0.227 29.361 29.700 -0.188 0.000 0.746 82 E HN 0.437 nan 8.360 nan 0.000 0.450 83 A N 1.412 123.980 122.820 -0.420 0.000 1.898 83 A HA -0.200 4.115 4.320 -0.007 0.000 0.216 83 A C 2.119 179.224 177.584 -0.800 0.000 1.181 83 A CA 1.676 53.295 52.037 -0.697 0.000 0.620 83 A CB -0.484 18.091 19.000 -0.709 0.000 0.819 83 A HN 0.216 nan 8.150 nan 0.000 0.442 84 K N -0.439 119.580 120.400 -0.635 0.000 2.032 84 K HA -0.218 4.097 4.320 -0.007 0.000 0.209 84 K C 1.273 177.808 176.600 -0.108 0.000 1.048 84 K CA 1.837 57.956 56.287 -0.281 0.000 0.927 84 K CB -0.220 32.311 32.500 0.052 0.000 0.712 84 K HN 0.385 nan 8.250 nan 0.000 0.441 85 D N 0.129 120.449 120.400 -0.134 0.000 2.144 85 D HA -0.117 4.518 4.640 -0.007 0.000 0.200 85 D C 1.979 178.218 176.300 -0.102 0.000 0.978 85 D CA 0.839 54.790 54.000 -0.082 0.000 0.833 85 D CB -0.119 40.631 40.800 -0.084 0.000 0.961 85 D HN 0.042 nan 8.370 nan 0.000 0.470 86 V N 0.583 120.359 119.914 -0.231 0.000 2.270 86 V HA -0.246 3.870 4.120 -0.007 0.000 0.245 86 V C 2.077 178.093 176.094 -0.130 0.000 1.043 86 V CA 1.350 63.484 62.300 -0.277 0.000 1.014 86 V CB -0.641 30.876 31.823 -0.510 0.000 0.645 86 V HN 0.136 nan 8.190 nan 0.000 0.447 87 Y N 0.563 120.873 120.300 0.016 0.000 2.352 87 Y HA -0.147 4.398 4.550 -0.008 0.000 0.292 87 Y C 2.356 178.453 175.900 0.329 0.000 1.136 87 Y CA 1.279 59.541 58.100 0.269 0.000 1.227 87 Y CB -0.691 37.965 38.460 0.327 0.000 0.991 87 Y HN 0.203 nan 8.280 nan 0.000 0.545 88 K N 0.790 121.372 120.400 0.303 0.000 2.063 88 K HA -0.170 4.146 4.320 -0.007 0.000 0.208 88 K C 1.646 178.362 176.600 0.192 0.000 1.048 88 K CA 1.866 58.291 56.287 0.229 0.000 0.928 88 K CB -0.082 32.500 32.500 0.136 0.000 0.713 88 K HN 0.172 nan 8.250 nan 0.000 0.442 89 E N -1.091 119.194 120.200 0.141 0.000 2.170 89 E HA -0.127 4.219 4.350 -0.007 0.000 0.191 89 E C 2.030 178.696 176.600 0.110 0.000 0.981 89 E CA 0.817 57.275 56.400 0.097 0.000 0.830 89 E CB -0.422 29.305 29.700 0.045 0.000 0.775 89 E HN 0.493 nan 8.360 nan 0.000 0.470 90 H N -0.104 118.977 119.070 0.018 0.000 2.353 90 H HA -0.074 4.477 4.556 -0.007 0.000 0.300 90 H C 1.294 176.495 175.328 -0.211 0.000 1.090 90 H CA 1.518 57.496 56.048 -0.116 0.000 1.327 90 H CB -0.147 29.530 29.762 -0.141 0.000 1.383 90 H HN 0.037 nan 8.280 nan 0.000 0.508 91 F N -0.175 119.813 119.950 0.064 0.000 2.746 91 F HA 0.131 4.654 4.527 -0.007 0.000 0.297 91 F C 0.801 176.605 175.800 0.006 0.000 1.113 91 F CA 0.214 58.206 58.000 -0.013 0.000 1.367 91 F CB 0.376 39.410 39.000 0.058 0.000 1.111 91 F HN 0.002 nan 8.300 nan 0.000 0.590 92 Q N 1.328 121.238 119.800 0.183 0.000 2.475 92 Q HA -0.241 4.095 4.340 -0.007 0.000 0.280 92 Q C -1.031 175.051 176.000 0.136 0.000 1.234 92 Q CA 1.212 57.089 55.803 0.123 0.000 0.873 92 Q CB -1.653 27.126 28.738 0.068 0.000 1.256 92 Q HN 0.488 nan 8.270 nan 0.000 0.475 93 D N -0.529 119.981 120.400 0.184 0.000 2.683 93 D HA 0.088 4.724 4.640 -0.007 0.000 0.246 93 D C -1.026 175.370 176.300 0.160 0.000 1.238 93 D CA -0.258 53.827 54.000 0.141 0.000 0.759 93 D CB 0.825 41.692 40.800 0.112 0.000 1.349 93 D HN 0.009 nan 8.370 nan 0.000 0.426 94 D N 1.560 122.032 120.400 0.120 0.000 2.889 94 D HA 0.016 4.652 4.640 -0.007 0.000 0.243 94 D C 1.265 177.641 176.300 0.126 0.000 1.270 94 D CA -0.258 53.830 54.000 0.147 0.000 0.838 94 D CB 0.210 41.085 40.800 0.125 0.000 1.040 94 D HN 0.068 nan 8.370 nan 0.000 0.480 95 V N 0.237 120.187 119.914 0.060 0.000 2.913 95 V HA -0.010 4.106 4.120 -0.007 0.000 0.260 95 V C 0.487 176.644 176.094 0.105 0.000 1.098 95 V CA 0.310 62.599 62.300 -0.019 0.000 1.121 95 V CB -0.924 30.727 31.823 -0.287 0.000 0.714 95 V HN 0.293 nan 8.190 nan 0.000 0.487 96 F N 2.150 122.104 119.950 0.007 0.000 2.608 96 F HA 0.146 4.668 4.527 -0.008 0.000 0.380 96 F C 0.670 176.449 175.800 -0.036 0.000 1.083 96 F CA -0.227 57.797 58.000 0.041 0.000 1.266 96 F CB 0.007 39.128 39.000 0.202 0.000 1.076 96 F HN 0.126 nan 8.300 nan 0.000 0.574 97 N N 5.299 123.356 118.700 -1.072 0.000 2.971 97 N HA -0.040 4.696 4.740 -0.007 0.000 0.294 97 N C 1.139 175.908 175.510 -1.234 0.000 1.210 97 N CA 0.327 52.579 53.050 -1.331 0.000 1.157 97 N CB -0.342 36.903 38.487 -2.070 0.000 1.450 97 N HN 0.887 nan 8.380 nan 0.000 0.527 98 E N 1.793 121.492 120.200 -0.835 0.000 2.077 98 E HA -0.202 4.144 4.350 -0.007 0.000 0.193 98 E C 0.999 177.490 176.600 -0.182 0.000 0.989 98 E CA 1.155 57.347 56.400 -0.347 0.000 0.800 98 E CB 0.268 29.979 29.700 0.019 0.000 0.746 98 E HN 0.470 nan 8.360 nan 0.000 0.452 99 K N -0.402 119.872 120.400 -0.210 0.000 2.097 99 K HA -0.104 4.212 4.320 -0.007 0.000 0.206 99 K C 2.163 178.697 176.600 -0.111 0.000 1.049 99 K CA 1.057 57.279 56.287 -0.108 0.000 0.933 99 K CB -0.265 32.178 32.500 -0.095 0.000 0.717 99 K HN 0.207 nan 8.250 nan 0.000 0.442 100 G N 0.429 109.018 108.800 -0.352 0.000 2.421 100 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.216 100 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.216 100 G C 1.083 175.937 174.900 -0.076 0.000 1.171 100 G CA 0.571 45.466 45.100 -0.341 0.000 0.775 100 G HN 0.355 nan 8.290 nan 0.000 0.543 101 W N 0.846 122.049 121.300 -0.162 0.000 2.418 101 W HA 0.069 4.724 4.660 -0.008 0.000 0.292 101 W C 2.583 179.150 176.519 0.080 0.000 1.213 101 W CA 0.412 57.763 57.345 0.010 0.000 1.283 101 W CB 0.017 29.433 29.460 -0.072 0.000 1.119 101 W HN 0.099 nan 8.180 nan 0.000 0.542 102 N N -0.414 118.441 118.700 0.258 0.000 2.223 102 N HA -0.235 4.501 4.740 -0.007 0.000 0.185 102 N C 1.448 177.070 175.510 0.186 0.000 1.016 102 N CA 1.366 54.532 53.050 0.193 0.000 0.863 102 N CB -0.732 37.834 38.487 0.132 0.000 0.983 102 N HN 0.245 nan 8.380 nan 0.000 0.429 103 Y N 1.829 122.182 120.300 0.089 0.000 2.128 103 Y HA -0.142 4.404 4.550 -0.007 0.000 0.284 103 Y C 2.247 178.230 175.900 0.138 0.000 1.154 103 Y CA 1.485 59.637 58.100 0.087 0.000 1.149 103 Y CB -0.400 38.108 38.460 0.081 0.000 0.976 103 Y HN -0.026 nan 8.280 nan 0.000 0.505 104 I N -0.613 120.105 120.570 0.248 0.000 2.226 104 I HA -0.290 3.876 4.170 -0.007 0.000 0.245 104 I C 2.322 178.554 176.117 0.190 0.000 1.100 104 I CA 1.291 62.735 61.300 0.242 0.000 1.374 104 I CB -0.508 37.638 38.000 0.243 0.000 1.057 104 I HN 0.319 nan 8.210 nan 0.000 0.413 105 L N 0.838 122.172 121.223 0.185 0.000 2.046 105 L HA -0.213 4.123 4.340 -0.007 0.000 0.208 105 L C 2.322 179.225 176.870 0.055 0.000 1.077 105 L CA 1.960 56.886 54.840 0.143 0.000 0.747 105 L CB -0.531 41.616 42.059 0.146 0.000 0.896 105 L HN 0.199 nan 8.230 nan 0.000 0.432 106 E N -0.885 119.308 120.200 -0.012 0.000 2.051 106 E HA -0.210 4.136 4.350 -0.007 0.000 0.189 106 E C 2.059 178.545 176.600 -0.190 0.000 0.979 106 E CA 0.994 57.347 56.400 -0.078 0.000 0.803 106 E CB -0.022 29.637 29.700 -0.068 0.000 0.761 106 E HN 0.262 nan 8.360 nan 0.000 0.451 107 K N 0.031 120.208 120.400 -0.373 0.000 2.116 107 K HA -0.071 4.244 4.320 -0.007 0.000 0.203 107 K C 0.712 176.934 176.600 -0.629 0.000 1.052 107 K CA 1.173 57.081 56.287 -0.631 0.000 0.952 107 K CB 0.116 31.936 32.500 -1.134 0.000 0.729 107 K HN 0.097 nan 8.250 nan 0.000 0.446 108 Y N 0.087 120.304 120.300 -0.139 0.000 2.612 108 Y HA 0.224 4.770 4.550 -0.007 0.000 0.250 108 Y C -0.365 175.541 175.900 0.011 0.000 1.175 108 Y CA -0.392 57.670 58.100 -0.063 0.000 1.205 108 Y CB 0.441 38.891 38.460 -0.017 0.000 1.201 108 Y HN 0.123 nan 8.280 nan 0.000 0.532 109 D N 0.935 121.404 120.400 0.116 0.000 2.708 109 D HA -0.196 4.440 4.640 -0.007 0.000 0.236 109 D C 1.318 177.813 176.300 0.325 0.000 1.146 109 D CA 1.456 55.553 54.000 0.161 0.000 0.662 109 D CB -1.118 39.738 40.800 0.094 0.000 1.059 109 D HN 0.714 nan 8.370 nan 0.000 0.428 110 G N -0.487 108.479 108.800 0.276 0.000 2.155 110 G HA2 -0.349 3.607 3.960 -0.007 0.000 0.257 110 G HA3 -0.349 3.607 3.960 -0.007 0.000 0.257 110 G C 0.122 175.157 174.900 0.226 0.000 0.983 110 G CA 0.513 45.758 45.100 0.243 0.000 0.676 110 G HN 0.709 nan 8.290 nan 0.000 0.528 111 H N -0.596 118.562 119.070 0.146 0.000 2.502 111 H HA 0.584 5.136 4.556 -0.007 0.000 0.327 111 H C 0.919 176.282 175.328 0.059 0.000 1.099 111 H CA -0.584 55.530 56.048 0.110 0.000 1.323 111 H CB 0.901 30.705 29.762 0.070 0.000 1.450 111 H HN 0.214 nan 8.280 nan 0.000 0.502 112 L N 5.648 126.978 121.223 0.178 0.000 2.369 112 L HA 0.187 4.523 4.340 -0.007 0.000 0.279 112 L C -1.763 175.081 176.870 -0.043 0.000 1.108 112 L CA -1.779 53.113 54.840 0.088 0.000 0.852 112 L CB 0.484 42.661 42.059 0.197 0.000 1.169 112 L HN 0.496 nan 8.230 nan 0.000 0.452 113 P HA 0.147 nan 4.420 nan 0.000 0.241 113 P C -0.622 176.577 177.300 -0.168 0.000 1.760 113 P CA 0.280 63.138 63.100 -0.404 0.000 1.081 113 P CB -0.044 31.238 31.700 -0.697 0.000 1.975 114 I N 0.971 121.546 120.570 0.008 0.000 2.647 114 I HA 0.363 4.529 4.170 -0.007 0.000 0.295 114 I C 0.186 176.426 176.117 0.205 0.000 1.078 114 I CA -0.932 60.434 61.300 0.109 0.000 1.048 114 I CB 2.980 41.074 38.000 0.158 0.000 1.239 114 I HN 0.136 nan 8.210 nan 0.000 0.421 115 E N 5.946 126.247 120.200 0.168 0.000 2.176 115 E HA 0.598 4.943 4.350 -0.007 0.000 0.267 115 E C -1.500 175.223 176.600 0.205 0.000 0.893 115 E CA -0.529 55.985 56.400 0.190 0.000 0.761 115 E CB 1.779 31.552 29.700 0.122 0.000 1.133 115 E HN 0.446 nan 8.360 nan 0.000 0.409 116 I N 4.353 125.075 120.570 0.253 0.000 2.406 116 I HA 0.333 4.499 4.170 -0.007 0.000 0.290 116 I C -0.349 175.879 176.117 0.184 0.000 0.999 116 I CA -0.717 60.704 61.300 0.201 0.000 1.124 116 I CB 1.630 39.715 38.000 0.142 0.000 1.289 116 I HN 0.288 nan 8.210 nan 0.000 0.441 117 K N 5.306 125.808 120.400 0.170 0.000 2.221 117 K HA 0.876 5.192 4.320 -0.007 0.000 0.258 117 K C -0.921 175.777 176.600 0.163 0.000 0.944 117 K CA -0.611 55.766 56.287 0.150 0.000 0.823 117 K CB 2.491 35.059 32.500 0.113 0.000 1.113 117 K HN 0.685 nan 8.250 nan 0.000 0.431 118 A N 1.433 124.339 122.820 0.143 0.000 2.539 118 A HA 0.539 4.854 4.320 -0.007 0.000 0.296 118 A C -0.550 177.027 177.584 -0.011 0.000 1.073 118 A CA -0.894 51.187 52.037 0.074 0.000 0.700 118 A CB 1.008 20.099 19.000 0.152 0.000 1.296 118 A HN 0.517 nan 8.150 nan 0.000 0.405 119 V N -0.798 118.965 119.914 -0.251 0.000 2.843 119 V HA 0.431 4.547 4.120 -0.007 0.000 0.305 119 V C -2.538 173.390 176.094 -0.276 0.000 1.065 119 V CA -1.413 60.709 62.300 -0.296 0.000 1.116 119 V CB -0.227 31.372 31.823 -0.372 0.000 0.968 119 V HN 0.660 nan 8.190 nan 0.000 0.487 120 P HA 0.140 nan 4.420 nan 0.000 0.266 120 P C -0.165 176.837 177.300 -0.497 0.000 1.195 120 P CA 0.094 62.668 63.100 -0.876 0.000 0.768 120 P CB 0.253 31.216 31.700 -1.228 0.000 0.838 121 E N 1.507 121.387 120.200 -0.533 0.000 2.392 121 E HA 0.228 4.574 4.350 -0.007 0.000 0.264 121 E C 1.266 177.852 176.600 -0.024 0.000 1.024 121 E CA 0.734 57.104 56.400 -0.050 0.000 0.903 121 E CB 0.044 29.773 29.700 0.049 0.000 0.963 121 E HN 0.792 nan 8.360 nan 0.000 0.432 122 G N 2.676 111.528 108.800 0.087 0.000 2.241 122 G HA2 -0.287 3.669 3.960 -0.007 0.000 0.244 122 G HA3 -0.287 3.669 3.960 -0.007 0.000 0.244 122 G C 0.051 175.043 174.900 0.154 0.000 0.998 122 G CA -0.348 44.772 45.100 0.033 0.000 0.621 122 G HN 0.437 nan 8.290 nan 0.000 0.519 123 F N 1.179 121.122 119.950 -0.012 0.000 2.572 123 F HA 0.428 4.950 4.527 -0.007 0.000 0.370 123 F C 1.052 176.848 175.800 -0.007 0.000 1.103 123 F CA -0.249 57.749 58.000 -0.004 0.000 1.286 123 F CB 1.215 40.206 39.000 -0.015 0.000 1.105 123 F HN -0.001 nan 8.300 nan 0.000 0.583 124 V N 6.484 126.392 119.914 -0.009 0.000 2.333 124 V HA 0.299 4.415 4.120 -0.007 0.000 0.274 124 V C 0.049 176.083 176.094 -0.100 0.000 1.028 124 V CA -0.532 61.757 62.300 -0.018 0.000 0.851 124 V CB 0.645 32.452 31.823 -0.028 0.000 1.000 124 V HN 0.328 nan 8.190 nan 0.000 0.456 125 I N 6.609 127.107 120.570 -0.121 0.000 2.465 125 I HA 0.482 4.648 4.170 -0.007 0.000 0.291 125 I C -2.500 173.561 176.117 -0.093 0.000 1.014 125 I CA -2.702 58.414 61.300 -0.306 0.000 1.093 125 I CB 1.956 39.746 38.000 -0.348 0.000 1.267 125 I HN 0.329 nan 8.210 nan 0.000 0.431 126 P HA 0.103 nan 4.420 nan 0.000 0.268 126 P C -0.047 177.271 177.300 0.030 0.000 1.208 126 P CA -0.301 62.822 63.100 0.038 0.000 0.777 126 P CB 0.446 32.198 31.700 0.086 0.000 0.875 127 R N 1.450 121.981 120.500 0.051 0.000 2.756 127 R HA 0.247 4.582 4.340 -0.007 0.000 0.264 127 R C 1.358 177.680 176.300 0.036 0.000 1.026 127 R CA 1.032 57.161 56.100 0.048 0.000 1.121 127 R CB -0.912 29.422 30.300 0.058 0.000 0.999 127 R HN 0.917 nan 8.270 nan 0.000 0.449 128 G N 1.498 110.315 108.800 0.028 0.000 2.137 128 G HA2 -0.289 3.667 3.960 -0.007 0.000 0.237 128 G HA3 -0.289 3.667 3.960 -0.007 0.000 0.237 128 G C -0.261 174.654 174.900 0.025 0.000 1.002 128 G CA 0.233 45.349 45.100 0.027 0.000 0.702 128 G HN 0.644 nan 8.290 nan 0.000 0.515 129 N N -1.333 117.379 118.700 0.019 0.000 2.319 129 N HA 0.543 5.279 4.740 -0.007 0.000 0.305 129 N C -0.027 175.490 175.510 0.012 0.000 1.103 129 N CA -0.561 52.491 53.050 0.003 0.000 0.815 129 N CB 2.647 41.121 38.487 -0.022 0.000 1.288 129 N HN 0.231 nan 8.380 nan 0.000 0.493 130 V N 3.279 123.189 119.914 -0.007 0.000 2.540 130 V HA 0.041 4.157 4.120 -0.007 0.000 0.297 130 V C 0.487 176.558 176.094 -0.040 0.000 1.024 130 V CA 0.703 63.013 62.300 0.017 0.000 1.105 130 V CB -0.279 31.516 31.823 -0.047 0.000 0.938 130 V HN 0.642 nan 8.190 nan 0.000 0.482 131 L N 6.683 127.882 121.223 -0.040 0.000 2.362 131 L HA 0.400 4.736 4.340 -0.007 0.000 0.204 131 L C 0.211 176.957 176.870 -0.205 0.000 1.060 131 L CA 0.317 55.036 54.840 -0.201 0.000 0.827 131 L CB 0.075 42.104 42.059 -0.050 0.000 1.027 131 L HN 0.750 nan 8.230 nan 0.000 0.474 132 F N -1.434 118.488 119.950 -0.047 0.000 2.645 132 F HA 0.662 5.185 4.527 -0.007 0.000 0.310 132 F C -0.576 175.250 175.800 0.043 0.000 1.102 132 F CA -1.054 56.934 58.000 -0.020 0.000 0.952 132 F CB 1.085 40.097 39.000 0.020 0.000 1.326 132 F HN -0.193 nan 8.300 nan 0.000 0.456 133 T N -0.217 114.469 114.554 0.219 0.000 2.908 133 T HA 0.856 5.202 4.350 -0.007 0.000 0.290 133 T C -1.386 173.364 174.700 0.083 0.000 1.034 133 T CA -0.835 61.257 62.100 -0.014 0.000 1.010 133 T CB 1.719 70.465 68.868 -0.203 0.000 1.068 133 T HN 0.814 nan 8.240 nan 0.000 0.481 134 V N 2.248 122.124 119.914 -0.063 0.000 2.709 134 V HA 0.756 4.872 4.120 -0.007 0.000 0.308 134 V C -0.634 175.451 176.094 -0.015 0.000 1.062 134 V CA -0.856 61.496 62.300 0.086 0.000 0.901 134 V CB 1.529 33.542 31.823 0.316 0.000 1.003 134 V HN 1.188 nan 8.190 nan 0.000 0.425 135 E N 2.926 123.172 120.200 0.077 0.000 2.392 135 E HA 0.409 4.755 4.350 -0.007 0.000 0.279 135 E C -1.545 175.106 176.600 0.084 0.000 0.964 135 E CA -1.004 55.469 56.400 0.121 0.000 0.777 135 E CB 2.040 31.892 29.700 0.253 0.000 1.249 135 E HN 0.628 nan 8.360 nan 0.000 0.449 136 N N 1.056 119.782 118.700 0.044 0.000 2.530 136 N HA 0.030 4.766 4.740 -0.007 0.000 0.277 136 N C 0.497 176.010 175.510 0.006 0.000 1.168 136 N CA 0.142 53.173 53.050 -0.033 0.000 0.979 136 N CB 1.454 39.872 38.487 -0.115 0.000 1.141 136 N HN 0.694 nan 8.380 nan 0.000 0.459 137 T N -3.617 110.918 114.554 -0.031 0.000 3.040 137 T HA 0.054 4.400 4.350 -0.007 0.000 0.250 137 T C -0.067 174.646 174.700 0.022 0.000 1.058 137 T CA -0.061 62.039 62.100 0.000 0.000 0.988 137 T CB 0.076 68.931 68.868 -0.023 0.000 0.993 137 T HN 0.551 nan 8.240 nan 0.000 0.519 138 D N 1.316 121.720 120.400 0.007 0.000 2.629 138 D HA 0.364 5.000 4.640 -0.007 0.000 0.250 138 D C -2.194 174.137 176.300 0.053 0.000 1.126 138 D CA -2.347 51.710 54.000 0.095 0.000 0.852 138 D CB 2.657 43.594 40.800 0.228 0.000 1.335 138 D HN -0.198 nan 8.370 nan 0.000 0.518 139 P HA -0.129 nan 4.420 nan 0.000 0.217 139 P C 0.914 178.268 177.300 0.090 0.000 1.148 139 P CA 0.954 64.089 63.100 0.059 0.000 0.828 139 P CB 0.443 32.168 31.700 0.042 0.000 0.783 140 E N -1.459 118.753 120.200 0.019 0.000 2.338 140 E HA -0.088 4.257 4.350 -0.007 0.000 0.197 140 E C 0.747 177.340 176.600 -0.012 0.000 1.007 140 E CA 0.798 57.168 56.400 -0.049 0.000 0.849 140 E CB -0.528 28.854 29.700 -0.531 0.000 0.774 140 E HN 0.289 nan 8.360 nan 0.000 0.506 141 C N 1.507 120.704 119.300 -0.171 0.000 2.470 141 C HA 0.149 4.605 4.460 -0.007 0.000 0.311 141 C C 1.807 176.357 174.990 -0.733 0.000 1.387 141 C CA -1.061 57.545 59.018 -0.687 0.000 1.783 141 C CB -2.158 25.232 27.740 -0.584 0.000 2.416 141 C HN 0.484 nan 8.230 nan 0.000 0.558 142 Y N 0.204 120.307 120.300 -0.328 0.000 2.241 142 Y HA -0.224 4.322 4.550 -0.008 0.000 0.286 142 Y C 2.177 177.923 175.900 -0.257 0.000 1.166 142 Y CA 1.729 59.686 58.100 -0.238 0.000 1.203 142 Y CB -0.888 37.485 38.460 -0.145 0.000 0.977 142 Y HN 0.630 nan 8.280 nan 0.000 0.529 143 W N 0.204 120.965 121.300 -0.897 0.000 2.800 143 W HA 0.080 4.735 4.660 -0.008 0.000 0.249 143 W C 1.253 177.696 176.519 -0.127 0.000 1.294 143 W CA 0.220 57.279 57.345 -0.478 0.000 1.402 143 W CB -0.876 28.245 29.460 -0.565 0.000 1.126 143 W HN 0.268 nan 8.180 nan 0.000 0.652 144 L N 2.512 123.203 121.223 -0.887 0.000 2.179 144 L HA -0.028 4.307 4.340 -0.007 0.000 0.208 144 L C 2.403 179.199 176.870 -0.124 0.000 1.096 144 L CA 2.306 56.706 54.840 -0.732 0.000 0.779 144 L CB -0.983 40.366 42.059 -1.185 0.000 0.922 144 L HN -0.186 nan 8.230 nan 0.000 0.443 145 T N 0.305 114.810 114.554 -0.082 0.000 2.624 145 T HA -0.212 4.134 4.350 -0.007 0.000 0.268 145 T C 1.552 176.407 174.700 0.259 0.000 1.041 145 T CA 2.186 64.349 62.100 0.103 0.000 1.159 145 T CB -0.344 68.589 68.868 0.108 0.000 0.863 145 T HN 0.327 nan 8.240 nan 0.000 0.434 146 N N -0.347 118.538 118.700 0.307 0.000 2.353 146 N HA 0.082 4.817 4.740 -0.007 0.000 0.185 146 N C 1.133 176.832 175.510 0.315 0.000 1.098 146 N CA -0.068 53.194 53.050 0.352 0.000 0.872 146 N CB -0.147 38.596 38.487 0.427 0.000 0.970 146 N HN 0.464 nan 8.380 nan 0.000 0.467 147 W N 1.924 123.350 121.300 0.209 0.000 2.338 147 W HA -0.109 4.549 4.660 -0.004 0.000 0.304 147 W C 1.041 177.656 176.519 0.160 0.000 1.212 147 W CA 1.110 58.602 57.345 0.245 0.000 1.264 147 W CB -0.090 29.593 29.460 0.372 0.000 1.142 147 W HN 0.072 nan 8.180 nan 0.000 0.512 148 I N -1.111 119.682 120.570 0.373 0.000 3.735 148 I HA 0.063 4.229 4.170 -0.007 0.000 0.310 148 I C 1.835 177.919 176.117 -0.054 0.000 1.270 148 I CA 0.651 62.074 61.300 0.206 0.000 1.207 148 I CB -0.654 37.458 38.000 0.188 0.000 1.013 148 I HN -0.039 nan 8.210 nan 0.000 0.452 149 E N 2.242 122.313 120.200 -0.216 0.000 2.049 149 E HA -0.234 4.112 4.350 -0.007 0.000 0.198 149 E C 1.812 178.218 176.600 -0.323 0.000 1.007 149 E CA 2.711 58.701 56.400 -0.683 0.000 0.809 149 E CB -0.091 29.247 29.700 -0.605 0.000 0.749 149 E HN 0.576 nan 8.360 nan 0.000 0.450 150 T N 1.439 115.919 114.554 -0.124 0.000 2.665 150 T HA -0.194 4.152 4.350 -0.007 0.000 0.268 150 T C 1.976 176.676 174.700 -0.000 0.000 1.035 150 T CA 1.855 63.940 62.100 -0.025 0.000 1.151 150 T CB -0.362 68.499 68.868 -0.012 0.000 0.862 150 T HN 0.224 nan 8.240 nan 0.000 0.438 151 I N 0.671 121.232 120.570 -0.016 0.000 2.226 151 I HA -0.116 4.049 4.170 -0.007 0.000 0.245 151 I C 2.307 178.411 176.117 -0.022 0.000 1.100 151 I CA 1.260 62.543 61.300 -0.028 0.000 1.374 151 I CB -0.468 37.519 38.000 -0.021 0.000 1.057 151 I HN 0.170 nan 8.210 nan 0.000 0.413 152 L N -0.245 120.960 121.223 -0.030 0.000 2.156 152 L HA -0.110 4.226 4.340 -0.007 0.000 0.208 152 L C 2.483 179.440 176.870 0.146 0.000 1.095 152 L CA 0.558 55.400 54.840 0.004 0.000 0.770 152 L CB -0.412 41.688 42.059 0.069 0.000 0.914 152 L HN 0.063 nan 8.230 nan 0.000 0.439 153 V N -0.367 119.663 119.914 0.195 0.000 2.626 153 V HA -0.256 3.860 4.120 -0.007 0.000 0.252 153 V C 2.300 178.678 176.094 0.473 0.000 1.067 153 V CA 1.374 63.933 62.300 0.432 0.000 1.081 153 V CB -0.484 31.557 31.823 0.364 0.000 0.686 153 V HN 0.516 nan 8.190 nan 0.000 0.468 154 Q N 0.297 120.261 119.800 0.273 0.000 2.439 154 Q HA -0.165 4.171 4.340 -0.007 0.000 0.211 154 Q C 2.302 178.259 176.000 -0.072 0.000 0.978 154 Q CA 1.465 57.357 55.803 0.148 0.000 0.897 154 Q CB -0.273 28.495 28.738 0.050 0.000 0.956 154 Q HN 0.834 nan 8.270 nan 0.000 0.483 155 S N 0.579 116.271 115.700 -0.014 0.000 2.469 155 S HA -0.151 4.314 4.470 -0.007 0.000 0.238 155 S C 1.588 176.172 174.600 -0.026 0.000 0.998 155 S CA 0.545 58.668 58.200 -0.129 0.000 0.957 155 S CB -0.807 62.260 63.200 -0.221 0.000 0.764 155 S HN 0.696 nan 8.310 nan 0.000 0.514 156 W N 0.940 122.355 121.300 0.192 0.000 2.325 156 W HA -0.275 4.384 4.660 -0.003 0.000 0.299 156 W C 1.829 178.466 176.519 0.197 0.000 1.215 156 W CA 0.974 58.497 57.345 0.297 0.000 1.244 156 W CB -1.129 28.525 29.460 0.325 0.000 1.140 156 W HN 0.396 nan 8.180 nan 0.000 0.523 157 Y N 4.037 123.686 120.300 -1.085 0.000 2.109 157 Y HA -0.082 4.464 4.550 -0.007 0.000 0.285 157 Y C -0.083 175.539 175.900 -0.462 0.000 1.131 157 Y CA 2.130 59.466 58.100 -1.274 0.000 1.121 157 Y CB -1.931 35.643 38.460 -1.478 0.000 0.987 157 Y HN -0.242 nan 8.280 nan 0.000 0.495 158 P HA -0.198 nan 4.420 nan 0.000 0.216 158 P C 1.811 179.021 177.300 -0.151 0.000 1.150 158 P CA 2.043 64.934 63.100 -0.347 0.000 0.837 158 P CB -0.166 31.349 31.700 -0.308 0.000 0.786 159 I N -0.225 120.281 120.570 -0.106 0.000 2.163 159 I HA -0.230 3.936 4.170 -0.007 0.000 0.243 159 I C 2.319 178.461 176.117 0.041 0.000 1.085 159 I CA 1.970 63.288 61.300 0.029 0.000 1.347 159 I CB -1.173 36.927 38.000 0.167 0.000 1.044 159 I HN 0.005 nan 8.210 nan 0.000 0.408 160 T N 0.144 114.719 114.554 0.036 0.000 2.812 160 T HA -0.085 4.261 4.350 -0.007 0.000 0.264 160 T C 2.002 176.676 174.700 -0.042 0.000 1.042 160 T CA 1.037 63.171 62.100 0.056 0.000 1.140 160 T CB -0.227 68.798 68.868 0.262 0.000 0.870 160 T HN 0.089 nan 8.240 nan 0.000 0.445 161 V N 1.869 121.664 119.914 -0.199 0.000 2.295 161 V HA -0.170 3.945 4.120 -0.007 0.000 0.246 161 V C 2.933 178.991 176.094 -0.061 0.000 1.049 161 V CA 1.769 63.954 62.300 -0.191 0.000 1.024 161 V CB -1.247 30.327 31.823 -0.414 0.000 0.648 161 V HN 0.523 nan 8.190 nan 0.000 0.447 162 A N -0.284 122.495 122.820 -0.068 0.000 1.908 162 A HA -0.239 4.077 4.320 -0.007 0.000 0.218 162 A C 2.401 179.989 177.584 0.007 0.000 1.181 162 A CA 2.631 54.637 52.037 -0.051 0.000 0.627 162 A CB -1.029 17.919 19.000 -0.086 0.000 0.818 162 A HN 0.515 nan 8.150 nan 0.000 0.445 163 T N 0.065 114.645 114.554 0.043 0.000 2.674 163 T HA -0.160 4.186 4.350 -0.007 0.000 0.265 163 T C 1.968 176.772 174.700 0.173 0.000 1.039 163 T CA 1.697 63.859 62.100 0.103 0.000 1.150 163 T CB -0.468 68.471 68.868 0.119 0.000 0.864 163 T HN 0.647 nan 8.240 nan 0.000 0.427 164 N N 0.743 119.545 118.700 0.170 0.000 2.166 164 N HA -0.095 4.640 4.740 -0.007 0.000 0.186 164 N C 2.007 177.634 175.510 0.195 0.000 1.019 164 N CA 1.542 54.747 53.050 0.258 0.000 0.856 164 N CB -0.400 38.186 38.487 0.166 0.000 0.993 164 N HN 0.240 nan 8.380 nan 0.000 0.426 165 S N -0.157 115.644 115.700 0.167 0.000 2.368 165 S HA -0.109 4.356 4.470 -0.007 0.000 0.225 165 S C 2.021 176.775 174.600 0.257 0.000 1.030 165 S CA 1.052 59.406 58.200 0.255 0.000 0.999 165 S CB -0.334 63.054 63.200 0.313 0.000 0.844 165 S HN 0.417 nan 8.310 nan 0.000 0.459 166 R N 0.389 120.962 120.500 0.122 0.000 2.092 166 R HA -0.026 4.310 4.340 -0.007 0.000 0.231 166 R C 2.108 178.443 176.300 0.060 0.000 1.119 166 R CA 1.481 57.602 56.100 0.036 0.000 0.970 166 R CB -0.202 30.090 30.300 -0.015 0.000 0.864 166 R HN 0.352 nan 8.270 nan 0.000 0.440 167 E N 0.704 120.960 120.200 0.095 0.000 2.153 167 E HA -0.214 4.132 4.350 -0.007 0.000 0.194 167 E C 1.952 178.581 176.600 0.048 0.000 0.988 167 E CA 1.255 57.686 56.400 0.052 0.000 0.811 167 E CB -0.047 29.675 29.700 0.036 0.000 0.746 167 E HN 0.536 nan 8.360 nan 0.000 0.466 168 Q N 0.298 120.157 119.800 0.099 0.000 2.123 168 Q HA -0.083 4.253 4.340 -0.007 0.000 0.199 168 Q C 2.176 178.274 176.000 0.164 0.000 0.966 168 Q CA 0.973 56.828 55.803 0.088 0.000 0.845 168 Q CB -0.044 28.738 28.738 0.072 0.000 0.907 168 Q HN 0.095 nan 8.270 nan 0.000 0.439 169 K N 1.197 121.749 120.400 0.254 0.000 2.097 169 K HA -0.178 4.138 4.320 -0.007 0.000 0.206 169 K C 1.794 178.434 176.600 0.067 0.000 1.049 169 K CA 1.194 57.596 56.287 0.191 0.000 0.933 169 K CB 0.152 32.568 32.500 -0.141 0.000 0.717 169 K HN 0.020 nan 8.250 nan 0.000 0.442 170 K N 0.379 120.800 120.400 0.035 0.000 2.032 170 K HA -0.141 4.175 4.320 -0.007 0.000 0.209 170 K C 2.099 178.731 176.600 0.053 0.000 1.048 170 K CA 1.736 58.035 56.287 0.019 0.000 0.927 170 K CB -0.179 32.323 32.500 0.002 0.000 0.712 170 K HN 0.170 nan 8.250 nan 0.000 0.441 171 I N 1.086 121.698 120.570 0.070 0.000 2.179 171 I HA -0.301 3.864 4.170 -0.007 0.000 0.242 171 I C 2.250 178.478 176.117 0.186 0.000 1.088 171 I CA 1.232 62.606 61.300 0.124 0.000 1.357 171 I CB -0.279 37.741 38.000 0.034 0.000 1.051 171 I HN 0.099 nan 8.210 nan 0.000 0.409 172 L N 0.467 121.765 121.223 0.125 0.000 2.046 172 L HA -0.226 4.110 4.340 -0.007 0.000 0.208 172 L C 2.835 179.796 176.870 0.151 0.000 1.077 172 L CA 1.441 56.373 54.840 0.153 0.000 0.747 172 L CB -0.695 41.477 42.059 0.189 0.000 0.896 172 L HN 0.263 nan 8.230 nan 0.000 0.432 173 A N -0.119 122.762 122.820 0.101 0.000 1.877 173 A HA -0.266 4.049 4.320 -0.007 0.000 0.216 173 A C 2.398 180.004 177.584 0.035 0.000 1.186 173 A CA 2.021 54.089 52.037 0.051 0.000 0.620 173 A CB -0.493 18.512 19.000 0.007 0.000 0.822 173 A HN 0.335 nan 8.150 nan 0.000 0.443 174 K N -1.651 118.771 120.400 0.038 0.000 2.009 174 K HA -0.206 4.110 4.320 -0.007 0.000 0.210 174 K C 1.852 178.381 176.600 -0.118 0.000 1.049 174 K CA 2.023 58.278 56.287 -0.054 0.000 0.929 174 K CB -0.350 32.102 32.500 -0.080 0.000 0.714 174 K HN 0.545 nan 8.250 nan 0.000 0.440 175 Y N 0.289 120.577 120.300 -0.021 0.000 2.286 175 Y HA -0.128 4.418 4.550 -0.007 0.000 0.293 175 Y C 2.035 177.899 175.900 -0.060 0.000 1.124 175 Y CA 0.651 58.728 58.100 -0.037 0.000 1.178 175 Y CB -0.121 38.331 38.460 -0.013 0.000 1.010 175 Y HN 0.092 nan 8.280 nan 0.000 0.536 176 L N -0.528 120.764 121.223 0.114 0.000 2.083 176 L HA -0.168 4.167 4.340 -0.007 0.000 0.209 176 L C 2.125 178.989 176.870 -0.011 0.000 1.083 176 L CA 1.393 56.262 54.840 0.048 0.000 0.752 176 L CB -0.816 41.286 42.059 0.071 0.000 0.899 176 L HN 0.234 nan 8.230 nan 0.000 0.433 177 L N -0.526 120.685 121.223 -0.020 0.000 2.056 177 L HA -0.173 4.162 4.340 -0.007 0.000 0.207 177 L C 2.381 179.210 176.870 -0.069 0.000 1.078 177 L CA 1.717 56.533 54.840 -0.040 0.000 0.749 177 L CB -0.574 41.461 42.059 -0.040 0.000 0.901 177 L HN 0.357 nan 8.230 nan 0.000 0.433 178 E N -1.252 118.880 120.200 -0.113 0.000 2.106 178 E HA -0.186 4.160 4.350 -0.007 0.000 0.192 178 E C 1.829 178.304 176.600 -0.208 0.000 0.984 178 E CA 1.707 58.022 56.400 -0.141 0.000 0.806 178 E CB -0.110 29.467 29.700 -0.206 0.000 0.750 178 E HN 0.690 nan 8.360 nan 0.000 0.458 179 T N -2.454 111.903 114.554 -0.329 0.000 3.065 179 T HA 0.053 4.398 4.350 -0.007 0.000 0.252 179 T C 1.755 176.304 174.700 -0.251 0.000 1.099 179 T CA 0.773 62.469 62.100 -0.674 0.000 1.063 179 T CB 0.362 68.795 68.868 -0.725 0.000 0.948 179 T HN 0.115 nan 8.240 nan 0.000 0.506 180 S N -0.576 115.064 115.700 -0.099 0.000 2.653 180 S HA 0.514 4.980 4.470 -0.007 0.000 0.259 180 S C 1.830 176.430 174.600 0.001 0.000 1.076 180 S CA 0.639 58.829 58.200 -0.018 0.000 1.051 180 S CB 0.029 63.225 63.200 -0.008 0.000 0.994 180 S HN 1.207 nan 8.310 nan 0.000 0.552 181 G N 1.887 110.681 108.800 -0.010 0.000 2.176 181 G HA2 -0.222 3.734 3.960 -0.007 0.000 0.253 181 G HA3 -0.222 3.734 3.960 -0.007 0.000 0.253 181 G C -0.183 174.715 174.900 -0.004 0.000 0.979 181 G CA 0.411 45.510 45.100 -0.002 0.000 0.641 181 G HN 1.175 nan 8.290 nan 0.000 0.530 182 N N -1.734 116.964 118.700 -0.004 0.000 3.243 182 N HA 0.654 5.390 4.740 -0.007 0.000 0.280 182 N C 0.048 175.560 175.510 0.003 0.000 1.545 182 N CA -0.938 52.111 53.050 -0.001 0.000 0.854 182 N CB 0.348 38.837 38.487 0.003 0.000 1.612 182 N HN 0.061 nan 8.380 nan 0.000 0.577 183 L N -0.753 120.473 121.223 0.005 0.000 3.168 183 L HA 0.412 4.747 4.340 -0.007 0.000 0.277 183 L C -0.821 176.064 176.870 0.025 0.000 1.245 183 L CA -0.491 54.357 54.840 0.012 0.000 1.035 183 L CB -0.190 41.867 42.059 -0.004 0.000 1.399 183 L HN 0.466 nan 8.230 nan 0.000 0.580 184 D N 1.758 122.174 120.400 0.027 0.000 2.487 184 D HA 0.213 4.849 4.640 -0.007 0.000 0.243 184 D C 1.368 177.707 176.300 0.065 0.000 1.154 184 D CA 1.447 55.470 54.000 0.037 0.000 0.876 184 D CB 1.033 41.848 40.800 0.026 0.000 1.161 184 D HN 0.365 nan 8.370 nan 0.000 0.478 185 G N 1.947 110.807 108.800 0.100 0.000 2.155 185 G HA2 -0.348 3.607 3.960 -0.007 0.000 0.257 185 G HA3 -0.348 3.607 3.960 -0.007 0.000 0.257 185 G C 1.018 176.038 174.900 0.199 0.000 0.983 185 G CA 0.536 45.744 45.100 0.180 0.000 0.676 185 G HN 0.523 nan 8.290 nan 0.000 0.528 186 L N 1.404 122.703 121.223 0.125 0.000 2.079 186 L HA -0.018 4.317 4.340 -0.007 0.000 0.210 186 L C 2.684 179.654 176.870 0.166 0.000 1.081 186 L CA 2.996 57.913 54.840 0.128 0.000 0.752 186 L CB -0.284 41.800 42.059 0.043 0.000 0.896 186 L HN 0.517 nan 8.230 nan 0.000 0.433 187 E N -1.493 118.722 120.200 0.026 0.000 2.515 187 E HA -0.248 4.098 4.350 -0.007 0.000 0.201 187 E C 0.707 177.251 176.600 -0.092 0.000 1.071 187 E CA 1.150 57.472 56.400 -0.129 0.000 0.880 187 E CB -0.586 28.929 29.700 -0.309 0.000 0.828 187 E HN 0.686 nan 8.360 nan 0.000 0.540 188 Y N 0.039 120.500 120.300 0.267 0.000 2.612 188 Y HA 0.292 4.838 4.550 -0.007 0.000 0.250 188 Y C 1.545 177.560 175.900 0.193 0.000 1.175 188 Y CA -0.466 57.772 58.100 0.230 0.000 1.205 188 Y CB 0.826 39.374 38.460 0.147 0.000 1.201 188 Y HN -0.134 nan 8.280 nan 0.000 0.532 189 K N 0.204 120.804 120.400 0.333 0.000 2.365 189 K HA 0.137 4.453 4.320 -0.007 0.000 0.197 189 K C -0.244 176.410 176.600 0.089 0.000 1.042 189 K CA 0.401 56.824 56.287 0.227 0.000 0.987 189 K CB 0.394 33.065 32.500 0.285 0.000 0.779 189 K HN 0.136 nan 8.250 nan 0.000 0.484 190 L N 0.841 121.927 121.223 -0.228 0.000 2.415 190 L HA 0.281 4.617 4.340 -0.007 0.000 0.268 190 L C -1.360 175.339 176.870 -0.285 0.000 0.984 190 L CA -0.699 53.878 54.840 -0.438 0.000 0.853 190 L CB 1.101 42.592 42.059 -0.946 0.000 1.215 190 L HN 0.005 nan 8.230 nan 0.000 0.419 191 H N 2.500 121.434 119.070 -0.226 0.000 2.473 191 H HA 0.333 4.885 4.556 -0.007 0.000 0.327 191 H C -0.715 174.497 175.328 -0.194 0.000 1.105 191 H CA -0.228 55.768 56.048 -0.087 0.000 1.280 191 H CB 1.104 30.863 29.762 -0.006 0.000 1.450 191 H HN 0.606 nan 8.280 nan 0.000 0.492 192 D N 4.196 124.495 120.400 -0.170 0.000 2.338 192 D HA -0.036 4.600 4.640 -0.007 0.000 0.255 192 D C -0.364 176.148 176.300 0.353 0.000 1.237 192 D CA 0.135 54.062 54.000 -0.121 0.000 0.883 192 D CB 0.052 40.747 40.800 -0.175 0.000 1.087 192 D HN 0.447 nan 8.370 nan 0.000 0.485 193 F N 1.631 121.585 119.950 0.007 0.000 2.639 193 F HA 0.306 4.828 4.527 -0.008 0.000 0.302 193 F C 2.087 177.922 175.800 0.058 0.000 1.097 193 F CA -0.601 57.438 58.000 0.064 0.000 1.294 193 F CB 0.513 39.542 39.000 0.049 0.000 1.027 193 F HN 0.503 nan 8.300 nan 0.000 0.550 194 G N -1.849 107.070 108.800 0.199 0.000 2.985 194 G HA2 -0.158 3.798 3.960 -0.007 0.000 0.209 194 G HA3 -0.158 3.798 3.960 -0.007 0.000 0.209 194 G C 1.486 176.493 174.900 0.179 0.000 1.165 194 G CA -0.030 45.157 45.100 0.144 0.000 0.776 194 G HN 0.377 nan 8.290 nan 0.000 0.541 195 Y N 1.872 122.203 120.300 0.051 0.000 2.081 195 Y HA -0.310 4.235 4.550 -0.008 0.000 0.280 195 Y C 3.059 178.974 175.900 0.025 0.000 1.163 195 Y CA 1.751 59.870 58.100 0.031 0.000 1.135 195 Y CB 0.210 38.682 38.460 0.020 0.000 0.970 195 Y HN 0.313 nan 8.280 nan 0.000 0.498 196 R N -0.314 120.296 120.500 0.184 0.000 2.189 196 R HA -0.006 4.330 4.340 -0.007 0.000 0.218 196 R C 1.849 178.199 176.300 0.082 0.000 1.074 196 R CA 1.272 57.412 56.100 0.067 0.000 0.991 196 R CB -0.666 29.642 30.300 0.015 0.000 0.883 196 R HN 0.305 nan 8.270 nan 0.000 0.457 197 G N 1.666 110.531 108.800 0.108 0.000 3.088 197 G HA2 0.181 4.137 3.960 -0.007 0.000 0.217 197 G HA3 0.181 4.137 3.960 -0.007 0.000 0.217 197 G C 0.548 175.499 174.900 0.085 0.000 1.159 197 G CA 0.224 45.377 45.100 0.088 0.000 0.760 197 G HN 0.202 nan 8.290 nan 0.000 0.550 198 V N -1.559 118.414 119.914 0.099 0.000 3.234 198 V HA 0.602 4.718 4.120 -0.007 0.000 0.317 198 V C 1.359 177.482 176.094 0.050 0.000 1.081 198 V CA 0.260 62.603 62.300 0.073 0.000 1.037 198 V CB 1.314 33.183 31.823 0.075 0.000 1.148 198 V HN 0.113 nan 8.190 nan 0.000 0.453 199 S N -0.201 115.505 115.700 0.010 0.000 2.496 199 S HA 0.225 4.691 4.470 -0.007 0.000 0.224 199 S C 0.747 175.352 174.600 0.009 0.000 0.996 199 S CA 0.362 58.563 58.200 0.003 0.000 0.927 199 S CB -0.654 62.534 63.200 -0.021 0.000 0.774 199 S HN 1.727 nan 8.310 nan 0.000 0.524 200 S N -0.944 114.767 115.700 0.019 0.000 2.611 200 S HA 0.400 4.866 4.470 -0.007 0.000 0.268 200 S C -0.015 174.631 174.600 0.078 0.000 1.156 200 S CA -0.866 57.356 58.200 0.037 0.000 0.817 200 S CB 0.928 64.137 63.200 0.014 0.000 1.122 200 S HN -0.097 nan 8.310 nan 0.000 0.466 201 Q N 0.958 120.817 119.800 0.098 0.000 2.084 201 Q HA -0.100 4.236 4.340 -0.007 0.000 0.202 201 Q C 1.783 177.829 176.000 0.076 0.000 0.978 201 Q CA 2.002 57.890 55.803 0.142 0.000 0.844 201 Q CB -0.461 28.356 28.738 0.132 0.000 0.898 201 Q HN 0.908 nan 8.270 nan 0.000 0.426 202 E N -0.146 120.087 120.200 0.055 0.000 2.077 202 E HA -0.135 4.211 4.350 -0.007 0.000 0.193 202 E C 1.733 178.320 176.600 -0.021 0.000 0.989 202 E CA 1.403 57.827 56.400 0.039 0.000 0.800 202 E CB 0.238 29.987 29.700 0.080 0.000 0.746 202 E HN 0.256 nan 8.360 nan 0.000 0.452 203 T N 0.671 115.199 114.554 -0.043 0.000 2.720 203 T HA -0.174 4.171 4.350 -0.007 0.000 0.268 203 T C 1.820 176.513 174.700 -0.010 0.000 1.037 203 T CA 1.288 63.331 62.100 -0.095 0.000 1.144 203 T CB -0.315 68.436 68.868 -0.195 0.000 0.864 203 T HN 0.329 nan 8.240 nan 0.000 0.444 204 A N 1.398 124.203 122.820 -0.025 0.000 1.892 204 A HA 0.017 4.333 4.320 -0.007 0.000 0.218 204 A C 2.618 180.092 177.584 -0.183 0.000 1.188 204 A CA 2.096 54.065 52.037 -0.113 0.000 0.631 204 A CB -1.446 17.433 19.000 -0.202 0.000 0.822 204 A HN 0.522 nan 8.150 nan 0.000 0.447 205 G N -0.089 108.614 108.800 -0.160 0.000 2.433 205 G HA2 -0.184 3.772 3.960 -0.007 0.000 0.216 205 G HA3 -0.184 3.772 3.960 -0.007 0.000 0.216 205 G C 1.543 176.346 174.900 -0.162 0.000 1.186 205 G CA 1.163 46.166 45.100 -0.161 0.000 0.779 205 G HN 0.487 nan 8.290 nan 0.000 0.543 206 I N 1.304 121.765 120.570 -0.181 0.000 2.127 206 I HA -0.098 4.068 4.170 -0.007 0.000 0.241 206 I C 3.114 179.190 176.117 -0.068 0.000 1.075 206 I CA 1.192 62.366 61.300 -0.209 0.000 1.334 206 I CB -0.597 37.284 38.000 -0.198 0.000 1.040 206 I HN 0.241 nan 8.210 nan 0.000 0.405 207 G N 0.385 109.221 108.800 0.060 0.000 2.421 207 G HA2 -0.238 3.718 3.960 -0.007 0.000 0.216 207 G HA3 -0.238 3.718 3.960 -0.007 0.000 0.216 207 G C 1.868 176.733 174.900 -0.058 0.000 1.171 207 G CA 0.869 45.946 45.100 -0.039 0.000 0.775 207 G HN 0.498 nan 8.290 nan 0.000 0.543 208 A N 1.243 124.028 122.820 -0.058 0.000 1.902 208 A HA -0.057 4.258 4.320 -0.007 0.000 0.217 208 A C 2.762 180.323 177.584 -0.039 0.000 1.181 208 A CA 2.723 54.726 52.037 -0.056 0.000 0.623 208 A CB -0.835 18.085 19.000 -0.132 0.000 0.818 208 A HN 0.812 nan 8.150 nan 0.000 0.443 209 S N 0.189 115.845 115.700 -0.073 0.000 2.382 209 S HA 0.013 4.479 4.470 -0.007 0.000 0.228 209 S C 2.076 176.652 174.600 -0.039 0.000 1.027 209 S CA 1.429 59.578 58.200 -0.085 0.000 0.991 209 S CB -0.645 62.526 63.200 -0.049 0.000 0.823 209 S HN 0.925 nan 8.310 nan 0.000 0.469 210 A N 1.706 124.521 122.820 -0.008 0.000 1.930 210 A HA -0.125 4.191 4.320 -0.007 0.000 0.217 210 A C 2.248 179.758 177.584 -0.123 0.000 1.175 210 A CA 1.495 53.448 52.037 -0.140 0.000 0.627 210 A CB -1.338 17.633 19.000 -0.048 0.000 0.815 210 A HN 0.824 nan 8.150 nan 0.000 0.443 211 H N -0.143 118.863 119.070 -0.106 0.000 2.389 211 H HA 0.019 4.570 4.556 -0.007 0.000 0.299 211 H C 1.620 176.959 175.328 0.018 0.000 1.081 211 H CA 1.453 57.483 56.048 -0.031 0.000 1.345 211 H CB -0.062 29.678 29.762 -0.037 0.000 1.393 211 H HN 0.417 nan 8.280 nan 0.000 0.520 212 L N 0.701 121.883 121.223 -0.068 0.000 2.551 212 L HA -0.093 4.243 4.340 -0.007 0.000 0.228 212 L C 2.497 179.376 176.870 0.016 0.000 1.153 212 L CA -0.064 54.756 54.840 -0.034 0.000 0.851 212 L CB 0.018 42.086 42.059 0.015 0.000 0.959 212 L HN 0.121 nan 8.230 nan 0.000 0.451 213 V N 0.132 119.939 119.914 -0.179 0.000 2.490 213 V HA -0.235 3.881 4.120 -0.007 0.000 0.250 213 V C 1.854 177.694 176.094 -0.423 0.000 1.061 213 V CA 1.694 63.680 62.300 -0.523 0.000 1.064 213 V CB -0.433 30.991 31.823 -0.665 0.000 0.670 213 V HN 0.605 nan 8.190 nan 0.000 0.461 214 N N -1.973 116.500 118.700 -0.378 0.000 2.463 214 N HA 0.191 4.927 4.740 -0.007 0.000 0.183 214 N C 0.179 175.217 175.510 -0.786 0.000 1.064 214 N CA 0.375 53.107 53.050 -0.530 0.000 0.879 214 N CB 0.707 38.918 38.487 -0.460 0.000 1.148 214 N HN 0.403 nan 8.380 nan 0.000 0.451 215 F N 0.255 119.935 119.950 -0.449 0.000 2.654 215 F HA 0.445 4.968 4.527 -0.007 0.000 0.334 215 F C 1.240 176.818 175.800 -0.371 0.000 1.078 215 F CA -0.783 56.955 58.000 -0.437 0.000 0.986 215 F CB 1.928 40.613 39.000 -0.524 0.000 1.362 215 F HN -0.423 nan 8.300 nan 0.000 0.498 216 K N -0.050 120.234 120.400 -0.193 0.000 2.438 216 K HA 0.261 4.576 4.320 -0.007 0.000 0.206 216 K C 0.205 176.821 176.600 0.025 0.000 1.081 216 K CA -0.086 56.094 56.287 -0.177 0.000 1.053 216 K CB 1.300 33.585 32.500 -0.358 0.000 0.908 216 K HN 0.695 nan 8.250 nan 0.000 0.556 217 G N 0.863 109.682 108.800 0.031 0.000 2.335 217 G HA2 0.344 4.300 3.960 -0.007 0.000 0.314 217 G HA3 0.344 4.300 3.960 -0.007 0.000 0.314 217 G C -0.937 173.680 174.900 -0.472 0.000 1.129 217 G CA -0.003 45.123 45.100 0.044 0.000 0.912 217 G HN -0.087 nan 8.290 nan 0.000 0.443 218 T N 0.924 115.194 114.554 -0.474 0.000 2.956 218 T HA 0.368 4.714 4.350 -0.007 0.000 0.312 218 T C -0.567 174.141 174.700 0.013 0.000 1.151 218 T CA -0.506 61.403 62.100 -0.317 0.000 1.024 218 T CB 1.906 70.725 68.868 -0.081 0.000 1.140 218 T HN 0.272 nan 8.240 nan 0.000 0.473 219 D N 1.404 121.909 120.400 0.174 0.000 2.407 219 D HA 0.201 4.837 4.640 -0.007 0.000 0.208 219 D C 0.376 176.773 176.300 0.162 0.000 1.083 219 D CA 0.335 54.470 54.000 0.226 0.000 0.844 219 D CB 0.585 41.523 40.800 0.231 0.000 0.967 219 D HN 0.479 nan 8.370 nan 0.000 0.506 220 T N 0.956 115.546 114.554 0.060 0.000 3.414 220 T HA 0.089 4.435 4.350 -0.007 0.000 0.304 220 T C 1.702 176.284 174.700 -0.197 0.000 1.241 220 T CA -0.163 61.859 62.100 -0.129 0.000 1.076 220 T CB 0.866 69.587 68.868 -0.245 0.000 1.134 220 T HN -0.166 nan 8.240 nan 0.000 0.759 221 V N 2.119 122.015 119.914 -0.030 0.000 2.453 221 V HA -0.262 3.853 4.120 -0.007 0.000 0.252 221 V C 2.782 178.826 176.094 -0.083 0.000 1.068 221 V CA 2.098 64.399 62.300 0.001 0.000 1.070 221 V CB -1.057 30.838 31.823 0.121 0.000 0.664 221 V HN 0.905 nan 8.190 nan 0.000 0.461 222 A N 0.738 123.429 122.820 -0.214 0.000 1.986 222 A HA -0.186 4.130 4.320 -0.007 0.000 0.220 222 A C 2.411 179.901 177.584 -0.158 0.000 1.171 222 A CA 2.031 53.956 52.037 -0.188 0.000 0.640 222 A CB -1.138 17.661 19.000 -0.335 0.000 0.811 222 A HN 0.566 nan 8.150 nan 0.000 0.451 223 G N -0.256 108.426 108.800 -0.196 0.000 2.432 223 G HA2 -0.120 3.836 3.960 -0.007 0.000 0.219 223 G HA3 -0.120 3.836 3.960 -0.007 0.000 0.219 223 G C 1.493 176.298 174.900 -0.158 0.000 1.135 223 G CA 0.988 45.989 45.100 -0.165 0.000 0.767 223 G HN 0.485 nan 8.290 nan 0.000 0.550 224 L N 0.597 121.737 121.223 -0.139 0.000 2.017 224 L HA -0.033 4.303 4.340 -0.007 0.000 0.208 224 L C 3.380 180.188 176.870 -0.103 0.000 1.073 224 L CA 1.153 55.908 54.840 -0.142 0.000 0.745 224 L CB -0.592 41.398 42.059 -0.116 0.000 0.894 224 L HN 0.265 nan 8.230 nan 0.000 0.432 225 A N 0.150 122.935 122.820 -0.059 0.000 1.902 225 A HA -0.196 4.120 4.320 -0.007 0.000 0.217 225 A C 2.338 179.927 177.584 0.009 0.000 1.181 225 A CA 1.551 53.571 52.037 -0.028 0.000 0.623 225 A CB -0.742 18.255 19.000 -0.006 0.000 0.818 225 A HN 0.396 nan 8.150 nan 0.000 0.443 226 L N -0.444 120.809 121.223 0.049 0.000 2.012 226 L HA -0.179 4.157 4.340 -0.007 0.000 0.210 226 L C 2.392 179.404 176.870 0.237 0.000 1.073 226 L CA 1.749 56.712 54.840 0.206 0.000 0.748 226 L CB -0.254 41.862 42.059 0.095 0.000 0.891 226 L HN 0.439 nan 8.230 nan 0.000 0.431 227 I N -0.039 120.553 120.570 0.036 0.000 2.179 227 I HA -0.351 3.815 4.170 -0.007 0.000 0.242 227 I C 2.624 178.760 176.117 0.032 0.000 1.088 227 I CA 1.749 63.031 61.300 -0.030 0.000 1.357 227 I CB -0.361 37.331 38.000 -0.513 0.000 1.051 227 I HN 0.309 nan 8.210 nan 0.000 0.409 228 K N 1.556 121.933 120.400 -0.037 0.000 2.063 228 K HA -0.274 4.041 4.320 -0.007 0.000 0.208 228 K C 2.217 178.779 176.600 -0.063 0.000 1.048 228 K CA 1.871 58.135 56.287 -0.039 0.000 0.928 228 K CB -0.095 32.371 32.500 -0.057 0.000 0.713 228 K HN 0.131 nan 8.250 nan 0.000 0.442 229 K N -1.063 119.267 120.400 -0.115 0.000 2.116 229 K HA -0.109 4.207 4.320 -0.007 0.000 0.203 229 K C 1.183 177.507 176.600 -0.460 0.000 1.052 229 K CA 1.245 57.324 56.287 -0.345 0.000 0.952 229 K CB 0.073 32.246 32.500 -0.544 0.000 0.729 229 K HN 0.223 nan 8.250 nan 0.000 0.446 230 Y N -2.138 118.135 120.300 -0.045 0.000 2.444 230 Y HA 0.145 4.692 4.550 -0.006 0.000 0.252 230 Y C 0.773 176.427 175.900 -0.411 0.000 1.091 230 Y CA -0.033 57.936 58.100 -0.218 0.000 1.276 230 Y CB 0.638 38.974 38.460 -0.207 0.000 1.170 230 Y HN 0.027 nan 8.280 nan 0.000 0.517 231 Y N -1.041 119.375 120.300 0.192 0.000 2.846 231 Y HA 0.518 5.063 4.550 -0.007 0.000 0.258 231 Y C 1.297 177.292 175.900 0.159 0.000 1.077 231 Y CA 0.027 58.261 58.100 0.223 0.000 1.270 231 Y CB 0.252 38.934 38.460 0.370 0.000 1.476 231 Y HN -0.146 nan 8.280 nan 0.000 0.460 232 G N 0.753 109.708 108.800 0.259 0.000 2.777 232 G HA2 0.103 4.059 3.960 -0.007 0.000 0.686 232 G HA3 0.103 4.059 3.960 -0.007 0.000 0.686 232 G C -0.574 174.439 174.900 0.190 0.000 1.177 232 G CA -0.105 45.086 45.100 0.151 0.000 0.775 232 G HN 0.380 nan 8.290 nan 0.000 0.613 233 T N 0.311 114.938 114.554 0.121 0.000 2.900 233 T HA 0.616 4.961 4.350 -0.007 0.000 0.303 233 T C 1.326 176.078 174.700 0.086 0.000 1.142 233 T CA 0.322 62.501 62.100 0.131 0.000 1.007 233 T CB 1.709 70.659 68.868 0.138 0.000 1.156 233 T HN 0.809 nan 8.240 nan 0.000 0.490 234 K N 1.263 121.714 120.400 0.086 0.000 2.057 234 K HA -0.044 4.272 4.320 -0.007 0.000 0.207 234 K C 0.078 176.718 176.600 0.066 0.000 1.049 234 K CA 1.050 57.377 56.287 0.067 0.000 0.931 234 K CB -0.079 32.459 32.500 0.063 0.000 0.714 234 K HN 0.629 nan 8.250 nan 0.000 0.440 235 D N 0.769 121.217 120.400 0.080 0.000 2.423 235 D HA -0.019 4.617 4.640 -0.007 0.000 0.238 235 D C -1.695 174.640 176.300 0.058 0.000 1.142 235 D CA -1.199 52.855 54.000 0.090 0.000 0.884 235 D CB 0.957 41.837 40.800 0.133 0.000 1.199 235 D HN 0.057 nan 8.370 nan 0.000 0.438 236 P HA -0.099 nan 4.420 nan 0.000 0.218 236 P C 0.261 177.551 177.300 -0.017 0.000 1.148 236 P CA 0.752 63.868 63.100 0.028 0.000 0.822 236 P CB 0.477 32.204 31.700 0.046 0.000 0.784 237 V N -0.133 119.750 119.914 -0.052 0.000 2.808 237 V HA 0.296 4.412 4.120 -0.007 0.000 0.308 237 V C -1.890 174.048 176.094 -0.260 0.000 1.099 237 V CA -2.016 60.177 62.300 -0.177 0.000 0.920 237 V CB 2.384 34.063 31.823 -0.240 0.000 1.014 237 V HN -0.103 nan 8.190 nan 0.000 0.425 238 P HA 0.206 nan 4.420 nan 0.000 0.231 238 P C 0.439 177.596 177.300 -0.238 0.000 1.168 238 P CA 0.665 63.657 63.100 -0.180 0.000 0.779 238 P CB 0.473 32.021 31.700 -0.253 0.000 0.844 239 G N -1.252 107.300 108.800 -0.414 0.000 2.619 239 G HA2 0.608 4.564 3.960 -0.007 0.000 0.296 239 G HA3 0.608 4.564 3.960 -0.007 0.000 0.296 239 G C -2.005 172.588 174.900 -0.512 0.000 1.334 239 G CA -0.433 44.476 45.100 -0.318 0.000 0.934 239 G HN -0.103 nan 8.290 nan 0.000 0.476 240 Y N -0.610 119.777 120.300 0.144 0.000 2.581 240 Y HA 0.802 5.348 4.550 -0.007 0.000 0.345 240 Y C 0.463 176.498 175.900 0.225 0.000 1.036 240 Y CA -0.780 57.428 58.100 0.180 0.000 1.042 240 Y CB 2.726 41.324 38.460 0.230 0.000 1.289 240 Y HN 0.710 nan 8.280 nan 0.000 0.471 241 S N 0.280 116.189 115.700 0.349 0.000 2.671 241 S HA 0.874 5.340 4.470 -0.007 0.000 0.277 241 S C -1.690 172.995 174.600 0.141 0.000 1.165 241 S CA -0.530 57.852 58.200 0.305 0.000 0.822 241 S CB 1.276 64.629 63.200 0.255 0.000 1.150 241 S HN 0.869 nan 8.310 nan 0.000 0.479 242 V N 0.012 119.947 119.914 0.036 0.000 3.040 242 V HA 0.803 4.919 4.120 -0.007 0.000 0.312 242 V C -2.955 173.033 176.094 -0.177 0.000 1.115 242 V CA -2.450 59.804 62.300 -0.077 0.000 0.998 242 V CB 0.562 32.318 31.823 -0.112 0.000 1.042 242 V HN 0.720 nan 8.190 nan 0.000 0.433 243 P HA 0.534 nan 4.420 nan 0.000 0.265 243 P C -0.521 176.524 177.300 -0.425 0.000 1.193 243 P CA 0.543 63.312 63.100 -0.552 0.000 0.765 243 P CB 0.629 31.579 31.700 -1.250 0.000 0.823 244 A N 1.957 124.570 122.820 -0.345 0.000 2.574 244 A HA 0.714 5.030 4.320 -0.007 0.000 0.297 244 A C -0.860 176.618 177.584 -0.177 0.000 1.062 244 A CA -0.521 51.368 52.037 -0.246 0.000 0.686 244 A CB 1.399 20.259 19.000 -0.233 0.000 1.285 244 A HN 0.537 nan 8.150 nan 0.000 0.403 245 A N 0.953 123.698 122.820 -0.125 0.000 2.304 245 A HA 0.703 5.019 4.320 -0.007 0.000 0.271 245 A C 0.219 177.733 177.584 -0.117 0.000 1.091 245 A CA 0.216 52.218 52.037 -0.059 0.000 0.812 245 A CB 0.222 19.227 19.000 0.009 0.000 1.056 245 A HN 1.070 nan 8.150 nan 0.000 0.489 246 E N -0.209 119.942 120.200 -0.082 0.000 2.370 246 E HA 0.412 4.758 4.350 -0.007 0.000 0.259 246 E C -0.143 176.391 176.600 -0.110 0.000 0.947 246 E CA -0.824 55.489 56.400 -0.145 0.000 0.809 246 E CB 0.386 30.038 29.700 -0.080 0.000 1.300 246 E HN 0.627 nan 8.360 nan 0.000 0.419 247 H N 0.300 119.373 119.070 0.006 0.000 2.387 247 H HA -0.141 4.410 4.556 -0.007 0.000 0.299 247 H C 2.263 177.615 175.328 0.040 0.000 1.099 247 H CA 2.209 58.260 56.048 0.004 0.000 1.315 247 H CB -0.090 29.654 29.762 -0.030 0.000 1.380 247 H HN 0.667 nan 8.280 nan 0.000 0.513 248 S N 0.705 116.495 115.700 0.150 0.000 2.370 248 S HA -0.163 4.303 4.470 -0.007 0.000 0.226 248 S C 2.298 176.993 174.600 0.159 0.000 1.033 248 S CA 1.927 60.202 58.200 0.124 0.000 1.011 248 S CB -0.823 62.425 63.200 0.081 0.000 0.852 248 S HN 0.592 nan 8.310 nan 0.000 0.457 249 T N -0.686 113.970 114.554 0.170 0.000 3.085 249 T HA 0.226 4.572 4.350 -0.007 0.000 0.263 249 T C 1.651 176.584 174.700 0.389 0.000 1.127 249 T CA 0.425 62.684 62.100 0.265 0.000 1.103 249 T CB -0.339 68.669 68.868 0.234 0.000 0.921 249 T HN 0.347 nan 8.240 nan 0.000 0.510 250 I N 2.637 123.379 120.570 0.286 0.000 2.512 250 I HA 0.017 4.183 4.170 -0.007 0.000 0.247 250 I C 2.962 179.280 176.117 0.334 0.000 1.094 250 I CA 1.665 63.127 61.300 0.270 0.000 1.427 250 I CB -1.653 36.464 38.000 0.195 0.000 1.149 250 I HN 0.452 nan 8.210 nan 0.000 0.438 251 T N 0.093 114.801 114.554 0.256 0.000 2.915 251 T HA -0.002 4.344 4.350 -0.007 0.000 0.269 251 T C 1.976 176.839 174.700 0.272 0.000 1.071 251 T CA 1.021 63.282 62.100 0.269 0.000 1.132 251 T CB -0.463 68.503 68.868 0.164 0.000 0.878 251 T HN 0.233 nan 8.240 nan 0.000 0.479 252 A N 0.503 123.467 122.820 0.240 0.000 2.076 252 A HA 0.018 4.333 4.320 -0.007 0.000 0.220 252 A C 1.851 179.474 177.584 0.064 0.000 1.160 252 A CA 0.994 53.098 52.037 0.112 0.000 0.653 252 A CB -1.234 17.783 19.000 0.028 0.000 0.801 252 A HN 0.759 nan 8.150 nan 0.000 0.455 253 W N -0.689 120.648 121.300 0.060 0.000 2.800 253 W HA 0.369 5.024 4.660 -0.007 0.000 0.249 253 W C 1.307 177.887 176.519 0.102 0.000 1.294 253 W CA 1.246 58.617 57.345 0.043 0.000 1.402 253 W CB -0.300 29.191 29.460 0.051 0.000 1.126 253 W HN 0.648 nan 8.180 nan 0.000 0.652 254 G N 0.427 109.412 108.800 0.308 0.000 2.712 254 G HA2 -0.260 3.696 3.960 -0.007 0.000 0.686 254 G HA3 -0.260 3.696 3.960 -0.007 0.000 0.686 254 G C 0.674 175.658 174.900 0.140 0.000 1.181 254 G CA -0.355 44.881 45.100 0.226 0.000 0.762 254 G HN 0.273 nan 8.290 nan 0.000 0.641 255 K N -0.202 120.172 120.400 -0.043 0.000 2.113 255 K HA -0.121 4.195 4.320 -0.007 0.000 0.208 255 K C 1.147 177.465 176.600 -0.470 0.000 1.047 255 K CA 2.118 58.140 56.287 -0.442 0.000 0.928 255 K CB 0.019 32.239 32.500 -0.467 0.000 0.716 255 K HN 0.332 nan 8.250 nan 0.000 0.446 256 D N 0.245 120.431 120.400 -0.357 0.000 2.349 256 D HA -0.021 4.614 4.640 -0.007 0.000 0.224 256 D C 0.329 176.272 176.300 -0.594 0.000 1.029 256 D CA 0.562 54.275 54.000 -0.479 0.000 0.879 256 D CB 0.156 40.648 40.800 -0.512 0.000 0.906 256 D HN 0.422 nan 8.370 nan 0.000 0.528 257 H N -0.354 118.667 119.070 -0.080 0.000 2.492 257 H HA 0.142 4.694 4.556 -0.007 0.000 0.264 257 H C 1.262 176.506 175.328 -0.140 0.000 1.150 257 H CA -0.145 55.878 56.048 -0.041 0.000 0.962 257 H CB 0.612 30.444 29.762 0.118 0.000 1.766 257 H HN 0.254 nan 8.280 nan 0.000 0.589 258 E N 1.798 121.890 120.200 -0.179 0.000 2.077 258 E HA -0.164 4.182 4.350 -0.007 0.000 0.193 258 E C 2.112 178.242 176.600 -0.784 0.000 0.989 258 E CA 0.856 56.996 56.400 -0.433 0.000 0.800 258 E CB 0.351 29.801 29.700 -0.416 0.000 0.746 258 E HN 0.253 nan 8.360 nan 0.000 0.452 259 K N 0.339 120.407 120.400 -0.552 0.000 2.063 259 K HA -0.198 4.118 4.320 -0.007 0.000 0.208 259 K C 1.553 177.967 176.600 -0.309 0.000 1.048 259 K CA 1.836 57.861 56.287 -0.435 0.000 0.928 259 K CB 0.005 32.362 32.500 -0.238 0.000 0.713 259 K HN 0.155 nan 8.250 nan 0.000 0.442 260 D N 0.281 120.520 120.400 -0.269 0.000 2.117 260 D HA -0.134 4.502 4.640 -0.007 0.000 0.198 260 D C 1.824 177.634 176.300 -0.818 0.000 0.982 260 D CA 1.243 55.055 54.000 -0.314 0.000 0.828 260 D CB -0.131 40.626 40.800 -0.072 0.000 0.967 260 D HN 0.343 nan 8.370 nan 0.000 0.464 261 A N 1.189 123.339 122.820 -1.116 0.000 1.858 261 A HA -0.189 4.126 4.320 -0.007 0.000 0.216 261 A C 2.048 179.397 177.584 -0.391 0.000 1.190 261 A CA 1.047 52.226 52.037 -1.430 0.000 0.617 261 A CB -0.920 17.489 19.000 -0.985 0.000 0.827 261 A HN 0.060 nan 8.150 nan 0.000 0.443 262 F N 0.052 119.759 119.950 -0.405 0.000 2.065 262 F HA -0.179 4.343 4.527 -0.007 0.000 0.298 262 F C 2.395 178.143 175.800 -0.087 0.000 1.112 262 F CA 1.413 59.274 58.000 -0.232 0.000 1.212 262 F CB -1.212 37.418 39.000 -0.617 0.000 0.975 262 F HN 0.515 nan 8.300 nan 0.000 0.476 263 E N -0.940 119.289 120.200 0.048 0.000 2.058 263 E HA -0.265 4.080 4.350 -0.007 0.000 0.194 263 E C 2.448 179.084 176.600 0.059 0.000 0.997 263 E CA 1.425 57.856 56.400 0.051 0.000 0.801 263 E CB -0.459 29.251 29.700 0.017 0.000 0.746 263 E HN 0.468 nan 8.360 nan 0.000 0.450 264 H N 0.429 119.442 119.070 -0.095 0.000 2.319 264 H HA -0.135 4.417 4.556 -0.007 0.000 0.299 264 H C 2.210 177.578 175.328 0.066 0.000 1.092 264 H CA 1.998 58.042 56.048 -0.006 0.000 1.302 264 H CB -0.066 29.698 29.762 0.003 0.000 1.373 264 H HN 0.261 nan 8.280 nan 0.000 0.497 265 I N 0.895 121.541 120.570 0.127 0.000 2.202 265 I HA -0.240 3.926 4.170 -0.007 0.000 0.242 265 I C 2.878 179.103 176.117 0.179 0.000 1.091 265 I CA 1.287 62.704 61.300 0.195 0.000 1.368 265 I CB -0.234 37.928 38.000 0.269 0.000 1.058 265 I HN 0.180 nan 8.210 nan 0.000 0.410 266 V N -1.373 118.628 119.914 0.145 0.000 2.626 266 V HA -0.182 3.934 4.120 -0.007 0.000 0.252 266 V C 2.434 178.552 176.094 0.041 0.000 1.067 266 V CA 2.040 64.406 62.300 0.110 0.000 1.081 266 V CB -1.697 30.197 31.823 0.119 0.000 0.686 266 V HN 0.594 nan 8.190 nan 0.000 0.468 267 T N -2.440 112.106 114.554 -0.015 0.000 2.942 267 T HA -0.145 4.201 4.350 -0.007 0.000 0.265 267 T C 1.917 176.524 174.700 -0.156 0.000 1.062 267 T CA 1.452 63.513 62.100 -0.066 0.000 1.139 267 T CB -0.333 68.501 68.868 -0.057 0.000 0.883 267 T HN 0.473 nan 8.240 nan 0.000 0.468 268 Q N 0.447 120.078 119.800 -0.282 0.000 2.167 268 Q HA 0.143 4.479 4.340 -0.007 0.000 0.202 268 Q C -0.047 175.557 176.000 -0.659 0.000 0.970 268 Q CA 1.106 56.593 55.803 -0.528 0.000 0.855 268 Q CB -0.201 28.100 28.738 -0.728 0.000 0.911 268 Q HN 0.687 nan 8.270 nan 0.000 0.438 269 F N -0.375 119.540 119.950 -0.058 0.000 2.664 269 F HA 0.275 4.798 4.527 -0.007 0.000 0.322 269 F C 0.927 176.698 175.800 -0.048 0.000 1.324 269 F CA -0.318 57.655 58.000 -0.044 0.000 1.154 269 F CB 0.430 39.406 39.000 -0.041 0.000 1.236 269 F HN 0.020 nan 8.300 nan 0.000 0.532 270 S N -1.319 114.407 115.700 0.043 0.000 2.496 270 S HA -0.085 4.381 4.470 -0.007 0.000 0.224 270 S C 1.590 176.200 174.600 0.018 0.000 0.996 270 S CA 0.871 59.082 58.200 0.017 0.000 0.927 270 S CB -0.240 62.951 63.200 -0.015 0.000 0.774 270 S HN 0.358 nan 8.310 nan 0.000 0.524 271 S N 0.518 116.236 115.700 0.031 0.000 2.559 271 S HA 0.461 4.926 4.470 -0.007 0.000 0.226 271 S C 0.278 174.895 174.600 0.027 0.000 1.000 271 S CA -0.024 58.188 58.200 0.021 0.000 0.948 271 S CB -0.047 63.161 63.200 0.013 0.000 0.870 271 S HN 0.728 nan 8.310 nan 0.000 0.497 272 V N -2.476 117.469 119.914 0.052 0.000 2.960 272 V HA 0.761 4.877 4.120 -0.007 0.000 0.315 272 V C -3.355 172.733 176.094 -0.010 0.000 1.087 272 V CA -3.159 59.157 62.300 0.027 0.000 0.982 272 V CB 1.121 32.980 31.823 0.060 0.000 1.039 272 V HN -0.118 nan 8.190 nan 0.000 0.437 273 P HA 0.294 nan 4.420 nan 0.000 0.268 273 P C -0.863 176.361 177.300 -0.128 0.000 1.205 273 P CA 0.218 63.259 63.100 -0.098 0.000 0.771 273 P CB 0.961 32.590 31.700 -0.119 0.000 0.858 274 V N 2.734 122.558 119.914 -0.150 0.000 2.623 274 V HA 0.448 4.564 4.120 -0.007 0.000 0.304 274 V C -0.605 175.358 176.094 -0.219 0.000 1.054 274 V CA -0.511 61.675 62.300 -0.191 0.000 0.882 274 V CB 1.941 33.699 31.823 -0.109 0.000 1.002 274 V HN 0.554 nan 8.190 nan 0.000 0.424 275 S N 5.651 121.216 115.700 -0.226 0.000 2.480 275 S HA 0.750 5.216 4.470 -0.007 0.000 0.286 275 S C -0.883 173.599 174.600 -0.198 0.000 1.180 275 S CA -0.418 57.650 58.200 -0.220 0.000 1.075 275 S CB 1.245 64.330 63.200 -0.192 0.000 0.996 275 S HN 0.829 nan 8.310 nan 0.000 0.487 276 V N 5.803 125.588 119.914 -0.215 0.000 2.409 276 V HA 0.360 4.476 4.120 -0.007 0.000 0.290 276 V C 0.124 176.146 176.094 -0.121 0.000 1.017 276 V CA -0.944 61.266 62.300 -0.151 0.000 0.841 276 V CB 1.416 33.157 31.823 -0.136 0.000 1.003 276 V HN 0.782 nan 8.190 nan 0.000 0.426 277 V N 5.059 124.914 119.914 -0.099 0.000 2.493 277 V HA 0.101 4.217 4.120 -0.007 0.000 0.292 277 V C 1.113 177.237 176.094 0.050 0.000 1.016 277 V CA 1.163 63.406 62.300 -0.095 0.000 1.097 277 V CB 1.501 33.152 31.823 -0.287 0.000 0.947 277 V HN 1.021 nan 8.190 nan 0.000 0.479 278 S N 3.754 119.516 115.700 0.103 0.000 2.650 278 S HA 0.142 4.608 4.470 -0.007 0.000 0.240 278 S C 0.790 175.508 174.600 0.197 0.000 1.007 278 S CA 0.137 58.508 58.200 0.284 0.000 0.984 278 S CB 0.023 63.428 63.200 0.341 0.000 0.910 278 S HN 1.013 nan 8.310 nan 0.000 0.509 279 D N 0.421 120.888 120.400 0.112 0.000 2.402 279 D HA 0.191 4.827 4.640 -0.007 0.000 0.216 279 D C 0.942 177.242 176.300 -0.001 0.000 1.128 279 D CA 0.020 54.044 54.000 0.041 0.000 0.833 279 D CB -0.147 40.667 40.800 0.023 0.000 0.971 279 D HN 0.014 nan 8.370 nan 0.000 0.503 280 S N -0.132 115.538 115.700 -0.050 0.000 2.387 280 S HA -0.169 4.296 4.470 -0.007 0.000 0.230 280 S C 0.705 174.915 174.600 -0.649 0.000 1.035 280 S CA 1.451 59.415 58.200 -0.394 0.000 1.014 280 S CB -0.202 62.604 63.200 -0.657 0.000 0.836 280 S HN 0.490 nan 8.310 nan 0.000 0.466 281 Y N -0.861 119.451 120.300 0.020 0.000 2.784 281 Y HA 0.428 4.974 4.550 -0.007 0.000 0.267 281 Y C 0.185 176.077 175.900 -0.014 0.000 1.117 281 Y CA -0.598 57.496 58.100 -0.010 0.000 1.231 281 Y CB 0.632 39.073 38.460 -0.031 0.000 1.441 281 Y HN 0.034 nan 8.280 nan 0.000 0.469 282 D N 0.095 120.572 120.400 0.128 0.000 2.318 282 D HA 0.127 4.763 4.640 -0.007 0.000 0.233 282 D C 0.357 176.655 176.300 -0.003 0.000 1.348 282 D CA -0.127 53.906 54.000 0.054 0.000 0.983 282 D CB 1.152 42.009 40.800 0.094 0.000 1.416 282 D HN 0.171 nan 8.370 nan 0.000 0.558 283 I N 3.902 124.375 120.570 -0.162 0.000 2.208 283 I HA -0.253 3.912 4.170 -0.007 0.000 0.245 283 I C 1.082 177.112 176.117 -0.146 0.000 1.097 283 I CA 1.815 62.986 61.300 -0.215 0.000 1.363 283 I CB -0.144 37.605 38.000 -0.418 0.000 1.051 283 I HN 0.379 nan 8.210 nan 0.000 0.413 284 Y N 0.257 120.619 120.300 0.104 0.000 2.263 284 Y HA -0.134 4.412 4.550 -0.007 0.000 0.292 284 Y C 2.541 178.504 175.900 0.105 0.000 1.130 284 Y CA 1.426 59.584 58.100 0.097 0.000 1.179 284 Y CB -1.507 36.996 38.460 0.072 0.000 0.998 284 Y HN 0.346 nan 8.280 nan 0.000 0.532 285 N N 0.695 119.519 118.700 0.206 0.000 2.120 285 N HA -0.189 4.546 4.740 -0.007 0.000 0.188 285 N C 1.994 177.577 175.510 0.121 0.000 1.024 285 N CA 1.244 54.376 53.050 0.137 0.000 0.852 285 N CB -0.096 38.444 38.487 0.088 0.000 1.003 285 N HN 0.348 nan 8.380 nan 0.000 0.424 286 A N 0.799 123.696 122.820 0.129 0.000 1.908 286 A HA -0.143 4.173 4.320 -0.007 0.000 0.218 286 A C 2.793 180.528 177.584 0.251 0.000 1.181 286 A CA 1.441 53.566 52.037 0.148 0.000 0.627 286 A CB -1.030 18.129 19.000 0.265 0.000 0.818 286 A HN 0.597 nan 8.150 nan 0.000 0.445 287 C N -1.362 118.142 119.300 0.340 0.000 2.446 287 C HA -0.018 4.438 4.460 -0.007 0.000 0.277 287 C C 2.697 177.906 174.990 0.365 0.000 1.275 287 C CA 1.218 60.494 59.018 0.430 0.000 1.727 287 C CB -0.959 26.967 27.740 0.311 0.000 2.010 287 C HN 0.791 nan 8.230 nan 0.000 0.486 288 E N 0.555 120.911 120.200 0.259 0.000 2.060 288 E HA -0.140 4.206 4.350 -0.007 0.000 0.189 288 E C 2.267 178.960 176.600 0.154 0.000 0.974 288 E CA 0.786 57.306 56.400 0.199 0.000 0.808 288 E CB -0.051 29.744 29.700 0.158 0.000 0.768 288 E HN 0.536 nan 8.360 nan 0.000 0.453 289 K N 0.100 120.574 120.400 0.124 0.000 2.141 289 K HA 0.034 4.350 4.320 -0.007 0.000 0.202 289 K C 2.098 178.735 176.600 0.061 0.000 1.045 289 K CA 0.539 56.870 56.287 0.073 0.000 0.971 289 K CB 0.119 32.642 32.500 0.039 0.000 0.795 289 K HN 0.096 nan 8.250 nan 0.000 0.459 290 I N -0.525 120.065 120.570 0.033 0.000 2.188 290 I HA -0.180 3.986 4.170 -0.007 0.000 0.237 290 I C 2.100 178.249 176.117 0.053 0.000 1.073 290 I CA 1.134 62.402 61.300 -0.053 0.000 1.359 290 I CB -0.460 37.403 38.000 -0.228 0.000 1.083 290 I HN 0.270 nan 8.210 nan 0.000 0.412 291 W N 0.969 122.414 121.300 0.241 0.000 2.381 291 W HA -0.039 4.617 4.660 -0.007 0.000 0.301 291 W C 2.549 179.241 176.519 0.289 0.000 1.205 291 W CA 0.751 58.239 57.345 0.238 0.000 1.285 291 W CB -0.635 28.944 29.460 0.198 0.000 1.133 291 W HN 0.118 nan 8.180 nan 0.000 0.521 292 G N -0.408 108.662 108.800 0.451 0.000 2.572 292 G HA2 -0.056 3.900 3.960 -0.007 0.000 0.216 292 G HA3 -0.056 3.900 3.960 -0.007 0.000 0.216 292 G C 1.110 176.021 174.900 0.019 0.000 1.133 292 G CA 0.938 46.155 45.100 0.194 0.000 0.791 292 G HN 0.289 nan 8.290 nan 0.000 0.538 293 E N -0.534 119.721 120.200 0.092 0.000 3.249 293 E HA 0.040 4.386 4.350 -0.007 0.000 0.184 293 E C 1.493 178.152 176.600 0.099 0.000 1.163 293 E CA -0.085 56.349 56.400 0.057 0.000 1.353 293 E CB 0.230 29.955 29.700 0.042 0.000 1.466 293 E HN -0.014 nan 8.360 nan 0.000 0.502 294 D N 1.049 121.506 120.400 0.096 0.000 2.144 294 D HA -0.091 4.545 4.640 -0.007 0.000 0.199 294 D C 1.458 177.870 176.300 0.186 0.000 0.984 294 D CA 1.204 55.268 54.000 0.106 0.000 0.834 294 D CB 0.242 41.066 40.800 0.041 0.000 0.955 294 D HN 0.120 nan 8.370 nan 0.000 0.465 295 L N -0.167 121.148 121.223 0.153 0.000 2.959 295 L HA 0.303 4.639 4.340 -0.007 0.000 0.259 295 L C 1.919 178.823 176.870 0.055 0.000 1.185 295 L CA -0.272 54.605 54.840 0.061 0.000 0.998 295 L CB 0.468 42.589 42.059 0.104 0.000 1.337 295 L HN -0.146 nan 8.230 nan 0.000 0.555 296 R N 0.959 121.563 120.500 0.174 0.000 2.103 296 R HA -0.212 4.123 4.340 -0.007 0.000 0.242 296 R C 2.434 178.795 176.300 0.102 0.000 1.142 296 R CA 2.127 58.334 56.100 0.179 0.000 0.960 296 R CB -0.226 30.100 30.300 0.043 0.000 0.858 296 R HN 0.582 nan 8.270 nan 0.000 0.439 297 H N -0.241 118.871 119.070 0.069 0.000 2.457 297 H HA -0.118 4.434 4.556 -0.007 0.000 0.297 297 H C 1.769 177.111 175.328 0.024 0.000 1.092 297 H CA 1.244 57.310 56.048 0.030 0.000 1.309 297 H CB -0.417 29.358 29.762 0.022 0.000 1.382 297 H HN 0.309 nan 8.280 nan 0.000 0.535 298 L N 0.116 121.081 121.223 -0.429 0.000 2.446 298 L HA 0.093 4.429 4.340 -0.007 0.000 0.219 298 L C 2.283 179.087 176.870 -0.110 0.000 1.116 298 L CA 0.210 54.908 54.840 -0.237 0.000 0.844 298 L CB 0.014 41.920 42.059 -0.254 0.000 0.970 298 L HN 0.162 nan 8.230 nan 0.000 0.457 299 I N -0.709 119.821 120.570 -0.066 0.000 2.556 299 I HA -0.114 4.052 4.170 -0.007 0.000 0.251 299 I C 2.340 178.222 176.117 -0.391 0.000 1.105 299 I CA 0.672 61.918 61.300 -0.089 0.000 1.436 299 I CB -0.141 37.918 38.000 0.098 0.000 1.139 299 I HN 0.054 nan 8.210 nan 0.000 0.438 300 V N -0.948 118.726 119.914 -0.400 0.000 2.913 300 V HA -0.123 3.993 4.120 -0.007 0.000 0.260 300 V C 2.166 177.888 176.094 -0.620 0.000 1.098 300 V CA 1.804 63.596 62.300 -0.848 0.000 1.121 300 V CB -1.119 30.558 31.823 -0.242 0.000 0.714 300 V HN 0.510 nan 8.190 nan 0.000 0.487 301 S N -0.681 114.825 115.700 -0.323 0.000 2.558 301 S HA 0.223 4.689 4.470 -0.007 0.000 0.217 301 S C 1.017 175.535 174.600 -0.137 0.000 0.975 301 S CA -0.420 57.681 58.200 -0.165 0.000 0.912 301 S CB -0.302 62.854 63.200 -0.073 0.000 0.776 301 S HN 0.679 nan 8.310 nan 0.000 0.526 302 R N 1.898 122.285 120.500 -0.189 0.000 2.582 302 R HA 0.404 4.740 4.340 -0.007 0.000 0.271 302 R C 0.425 176.731 176.300 0.011 0.000 1.078 302 R CA -0.087 55.971 56.100 -0.071 0.000 1.127 302 R CB 0.598 30.865 30.300 -0.054 0.000 1.038 302 R HN 0.289 nan 8.270 nan 0.000 0.500 303 S N 0.156 115.868 115.700 0.020 0.000 2.593 303 S HA -0.009 4.457 4.470 -0.007 0.000 0.269 303 S C 1.096 175.728 174.600 0.052 0.000 1.334 303 S CA -0.441 57.781 58.200 0.036 0.000 1.015 303 S CB 1.113 64.321 63.200 0.012 0.000 0.912 303 S HN 0.588 nan 8.310 nan 0.000 0.541 304 T N 3.203 117.784 114.554 0.045 0.000 2.881 304 T HA -0.069 4.276 4.350 -0.007 0.000 0.270 304 T C 1.434 176.124 174.700 -0.017 0.000 1.068 304 T CA 1.437 63.547 62.100 0.017 0.000 1.131 304 T CB -0.223 68.650 68.868 0.009 0.000 0.871 304 T HN 0.609 nan 8.240 nan 0.000 0.479 305 Q N 0.310 120.099 119.800 -0.018 0.000 2.425 305 Q HA 0.395 4.730 4.340 -0.007 0.000 0.204 305 Q C 0.947 176.920 176.000 -0.045 0.000 0.933 305 Q CA 0.273 56.053 55.803 -0.039 0.000 0.939 305 Q CB 0.399 29.117 28.738 -0.033 0.000 1.044 305 Q HN 0.417 nan 8.270 nan 0.000 0.513 306 A N 1.214 124.016 122.820 -0.030 0.000 3.297 306 A HA 0.378 4.694 4.320 -0.007 0.000 0.304 306 A C -2.624 174.936 177.584 -0.040 0.000 0.963 306 A CA -1.264 50.753 52.037 -0.034 0.000 0.935 306 A CB 0.280 19.272 19.000 -0.014 0.000 1.093 306 A HN -0.035 nan 8.150 nan 0.000 0.480 307 P HA 0.293 nan 4.420 nan 0.000 0.277 307 P C -0.177 177.037 177.300 -0.143 0.000 1.240 307 P CA -0.316 62.736 63.100 -0.080 0.000 0.798 307 P CB 1.192 32.824 31.700 -0.113 0.000 0.979 308 L N 3.031 124.138 121.223 -0.194 0.000 2.367 308 L HA 0.295 4.630 4.340 -0.007 0.000 0.275 308 L C -0.388 176.260 176.870 -0.370 0.000 1.129 308 L CA 0.078 54.718 54.840 -0.334 0.000 0.839 308 L CB -0.436 41.325 42.059 -0.497 0.000 1.133 308 L HN 0.186 nan 8.230 nan 0.000 0.453 309 I N 6.783 127.136 120.570 -0.363 0.000 2.359 309 I HA 0.320 4.486 4.170 -0.007 0.000 0.284 309 I C -0.258 175.631 176.117 -0.380 0.000 1.018 309 I CA -0.337 60.764 61.300 -0.333 0.000 1.173 309 I CB 0.930 38.781 38.000 -0.247 0.000 1.326 309 I HN 0.509 nan 8.210 nan 0.000 0.462 310 I N 6.023 126.338 120.570 -0.425 0.000 2.471 310 I HA 0.201 4.367 4.170 -0.007 0.000 0.286 310 I C 0.612 176.591 176.117 -0.230 0.000 1.079 310 I CA -0.003 61.064 61.300 -0.389 0.000 1.398 310 I CB 0.524 38.277 38.000 -0.412 0.000 1.403 310 I HN 0.555 nan 8.210 nan 0.000 0.530 311 R N 9.055 129.460 120.500 -0.158 0.000 2.272 311 R HA 0.402 4.737 4.340 -0.007 0.000 0.323 311 R C -2.551 173.719 176.300 -0.051 0.000 1.002 311 R CA -1.676 54.364 56.100 -0.100 0.000 0.900 311 R CB 1.047 31.297 30.300 -0.083 0.000 1.151 311 R HN 0.279 nan 8.270 nan 0.000 0.507 312 P HA 0.118 nan 4.420 nan 0.000 0.274 312 P C -0.751 176.555 177.300 0.009 0.000 1.237 312 P CA 0.044 63.128 63.100 -0.027 0.000 0.793 312 P CB 1.150 32.823 31.700 -0.045 0.000 0.977 313 D N -1.094 119.328 120.400 0.038 0.000 2.567 313 D HA 0.107 4.743 4.640 -0.007 0.000 0.268 313 D C -0.626 175.720 176.300 0.077 0.000 1.448 313 D CA 0.020 54.071 54.000 0.086 0.000 0.811 313 D CB 0.304 41.195 40.800 0.150 0.000 1.192 313 D HN 0.367 nan 8.370 nan 0.000 0.488 314 S N -1.721 114.001 115.700 0.038 0.000 2.615 314 S HA 0.809 5.275 4.470 -0.007 0.000 0.269 314 S C 0.397 175.011 174.600 0.024 0.000 1.161 314 S CA -0.291 57.925 58.200 0.026 0.000 0.817 314 S CB 1.584 64.789 63.200 0.007 0.000 1.131 314 S HN 0.635 nan 8.310 nan 0.000 0.467 315 G N 1.381 110.203 108.800 0.035 0.000 2.728 315 G HA2 -0.125 3.831 3.960 -0.007 0.000 0.294 315 G HA3 -0.125 3.831 3.960 -0.007 0.000 0.294 315 G C -0.584 174.351 174.900 0.058 0.000 1.342 315 G CA -0.359 44.774 45.100 0.056 0.000 0.866 315 G HN 1.161 nan 8.290 nan 0.000 0.534 316 N N 1.238 119.979 118.700 0.068 0.000 2.434 316 N HA 0.173 4.908 4.740 -0.007 0.000 0.268 316 N C -0.751 174.796 175.510 0.062 0.000 1.256 316 N CA -0.590 52.496 53.050 0.059 0.000 0.914 316 N CB 1.137 39.659 38.487 0.058 0.000 1.088 316 N HN 0.128 nan 8.380 nan 0.000 0.478 317 P HA -0.174 nan 4.420 nan 0.000 0.215 317 P C 1.611 178.947 177.300 0.059 0.000 1.157 317 P CA 0.764 63.898 63.100 0.057 0.000 0.874 317 P CB 0.235 31.968 31.700 0.055 0.000 0.790 318 L N -0.116 121.138 121.223 0.053 0.000 2.005 318 L HA -0.134 4.202 4.340 -0.007 0.000 0.207 318 L C 1.604 178.504 176.870 0.050 0.000 1.072 318 L CA 2.134 57.003 54.840 0.049 0.000 0.744 318 L CB -1.465 40.617 42.059 0.038 0.000 0.895 318 L HN -0.171 nan 8.230 nan 0.000 0.433 319 D N -0.828 119.606 120.400 0.057 0.000 2.123 319 D HA -0.165 4.471 4.640 -0.007 0.000 0.196 319 D C 2.065 178.420 176.300 0.092 0.000 0.992 319 D CA 1.899 55.937 54.000 0.063 0.000 0.833 319 D CB -0.367 40.471 40.800 0.064 0.000 0.954 319 D HN 0.411 nan 8.370 nan 0.000 0.455 320 T N 0.463 115.091 114.554 0.122 0.000 2.737 320 T HA -0.078 4.268 4.350 -0.007 0.000 0.265 320 T C 2.292 177.059 174.700 0.111 0.000 1.038 320 T CA 0.636 62.848 62.100 0.187 0.000 1.144 320 T CB -0.394 68.549 68.868 0.125 0.000 0.866 320 T HN -0.033 nan 8.240 nan 0.000 0.434 321 V N 1.684 121.616 119.914 0.030 0.000 2.287 321 V HA -0.149 3.967 4.120 -0.007 0.000 0.248 321 V C 2.526 178.557 176.094 -0.105 0.000 1.053 321 V CA 1.574 63.843 62.300 -0.053 0.000 1.027 321 V CB -0.687 31.103 31.823 -0.056 0.000 0.646 321 V HN 0.440 nan 8.190 nan 0.000 0.447 322 L N -0.469 120.722 121.223 -0.053 0.000 2.046 322 L HA -0.227 4.109 4.340 -0.007 0.000 0.208 322 L C 2.569 179.408 176.870 -0.052 0.000 1.077 322 L CA 2.015 56.815 54.840 -0.066 0.000 0.747 322 L CB -0.596 41.480 42.059 0.028 0.000 0.896 322 L HN 0.316 nan 8.230 nan 0.000 0.432 323 K N -0.017 120.386 120.400 0.005 0.000 2.057 323 K HA -0.123 4.192 4.320 -0.007 0.000 0.206 323 K C 2.046 178.680 176.600 0.057 0.000 1.050 323 K CA 0.975 57.264 56.287 0.004 0.000 0.935 323 K CB 0.052 32.495 32.500 -0.095 0.000 0.715 323 K HN 0.006 nan 8.250 nan 0.000 0.439 324 V N 1.724 121.700 119.914 0.103 0.000 2.332 324 V HA -0.283 3.832 4.120 -0.007 0.000 0.248 324 V C 2.258 178.298 176.094 -0.091 0.000 1.055 324 V CA 1.746 64.083 62.300 0.062 0.000 1.038 324 V CB -0.343 31.485 31.823 0.009 0.000 0.651 324 V HN 0.332 nan 8.190 nan 0.000 0.450 325 L N -0.674 120.374 121.223 -0.291 0.000 2.056 325 L HA -0.123 4.213 4.340 -0.007 0.000 0.207 325 L C 2.730 179.388 176.870 -0.352 0.000 1.078 325 L CA 1.278 55.723 54.840 -0.659 0.000 0.749 325 L CB -0.627 40.582 42.059 -1.417 0.000 0.901 325 L HN 0.299 nan 8.230 nan 0.000 0.433 326 E N 0.300 120.470 120.200 -0.051 0.000 2.077 326 E HA -0.191 4.155 4.350 -0.007 0.000 0.193 326 E C 2.267 178.973 176.600 0.177 0.000 0.989 326 E CA 1.253 57.784 56.400 0.218 0.000 0.800 326 E CB -0.221 29.587 29.700 0.180 0.000 0.746 326 E HN 0.506 nan 8.360 nan 0.000 0.452 327 I N 0.856 121.497 120.570 0.118 0.000 2.127 327 I HA -0.295 3.871 4.170 -0.007 0.000 0.241 327 I C 2.465 178.702 176.117 0.199 0.000 1.075 327 I CA 1.064 62.455 61.300 0.151 0.000 1.334 327 I CB -0.295 37.807 38.000 0.170 0.000 1.040 327 I HN 0.047 nan 8.210 nan 0.000 0.405 328 L N 0.238 121.571 121.223 0.183 0.000 2.141 328 L HA -0.110 4.226 4.340 -0.007 0.000 0.209 328 L C 2.627 179.706 176.870 0.350 0.000 1.094 328 L CA 1.277 56.287 54.840 0.283 0.000 0.763 328 L CB -1.104 41.001 42.059 0.077 0.000 0.908 328 L HN 0.342 nan 8.230 nan 0.000 0.437 329 G N 0.065 109.059 108.800 0.324 0.000 2.448 329 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.219 329 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.219 329 G C 1.690 176.757 174.900 0.279 0.000 1.127 329 G CA 0.524 45.880 45.100 0.426 0.000 0.766 329 G HN 0.337 nan 8.290 nan 0.000 0.552 330 K N -0.405 120.131 120.400 0.226 0.000 2.361 330 K HA 0.131 4.447 4.320 -0.007 0.000 0.194 330 K C 1.716 178.377 176.600 0.101 0.000 1.032 330 K CA 0.172 56.546 56.287 0.145 0.000 1.048 330 K CB 0.325 32.897 32.500 0.119 0.000 0.842 330 K HN 0.023 nan 8.250 nan 0.000 0.526 331 K N -0.232 120.241 120.400 0.121 0.000 2.354 331 K HA 0.195 4.511 4.320 -0.007 0.000 0.194 331 K C -0.034 176.381 176.600 -0.307 0.000 1.045 331 K CA 0.403 56.645 56.287 -0.074 0.000 1.026 331 K CB 0.528 32.983 32.500 -0.074 0.000 0.866 331 K HN -0.055 nan 8.250 nan 0.000 0.530 332 F N 1.705 121.730 119.950 0.125 0.000 2.577 332 F HA 0.316 4.839 4.527 -0.007 0.000 0.318 332 F C -2.096 173.770 175.800 0.110 0.000 1.065 332 F CA -2.647 55.434 58.000 0.135 0.000 0.929 332 F CB 1.648 40.731 39.000 0.137 0.000 1.237 332 F HN -0.231 nan 8.300 nan 0.000 0.468 333 P HA 0.083 nan 4.420 nan 0.000 0.266 333 P C -0.551 176.828 177.300 0.132 0.000 1.419 333 P CA 0.243 63.447 63.100 0.174 0.000 1.112 333 P CB 0.173 31.973 31.700 0.167 0.000 1.438 334 V N 4.332 124.322 119.914 0.127 0.000 2.614 334 V HA 0.228 4.344 4.120 -0.007 0.000 0.291 334 V C 1.379 177.496 176.094 0.039 0.000 1.049 334 V CA 0.185 62.543 62.300 0.096 0.000 1.038 334 V CB 1.013 32.907 31.823 0.118 0.000 0.980 334 V HN 0.588 nan 8.190 nan 0.000 0.481 335 T N 1.303 115.869 114.554 0.021 0.000 2.938 335 T HA 0.622 4.968 4.350 -0.007 0.000 0.285 335 T C -0.569 174.120 174.700 -0.018 0.000 1.028 335 T CA -0.803 61.298 62.100 0.002 0.000 1.005 335 T CB 2.058 70.929 68.868 0.006 0.000 1.157 335 T HN 0.695 nan 8.240 nan 0.000 0.550 336 E N 1.371 121.558 120.200 -0.021 0.000 2.165 336 E HA 0.324 4.670 4.350 -0.007 0.000 0.266 336 E C -0.346 176.255 176.600 0.001 0.000 0.889 336 E CA -0.884 55.499 56.400 -0.028 0.000 0.756 336 E CB 0.897 30.564 29.700 -0.054 0.000 1.131 336 E HN 0.735 nan 8.360 nan 0.000 0.411 337 N N 1.915 120.633 118.700 0.031 0.000 2.294 337 N HA -0.071 4.665 4.740 -0.007 0.000 0.248 337 N C 0.836 176.373 175.510 0.045 0.000 1.300 337 N CA 0.354 53.431 53.050 0.044 0.000 0.925 337 N CB 0.471 38.998 38.487 0.066 0.000 1.188 337 N HN 0.374 nan 8.380 nan 0.000 0.512 338 S N -1.563 114.163 115.700 0.044 0.000 2.469 338 S HA -0.071 4.395 4.470 -0.007 0.000 0.238 338 S C 0.991 175.623 174.600 0.053 0.000 0.998 338 S CA 0.556 58.778 58.200 0.036 0.000 0.957 338 S CB -0.290 62.926 63.200 0.028 0.000 0.764 338 S HN 0.538 nan 8.310 nan 0.000 0.514 339 K N 0.734 121.196 120.400 0.105 0.000 2.404 339 K HA 0.269 4.585 4.320 -0.007 0.000 0.194 339 K C 1.327 178.014 176.600 0.145 0.000 1.023 339 K CA 0.610 56.999 56.287 0.170 0.000 1.094 339 K CB -0.059 32.598 32.500 0.260 0.000 0.841 339 K HN 0.584 nan 8.250 nan 0.000 0.523 340 G N 1.184 110.012 108.800 0.046 0.000 2.141 340 G HA2 -0.271 3.684 3.960 -0.007 0.000 0.242 340 G HA3 -0.271 3.684 3.960 -0.007 0.000 0.242 340 G C -0.393 174.356 174.900 -0.251 0.000 0.982 340 G CA -0.139 44.889 45.100 -0.119 0.000 0.662 340 G HN 0.257 nan 8.290 nan 0.000 0.527 341 Y N 0.534 120.804 120.300 -0.050 0.000 2.387 341 Y HA 0.568 5.114 4.550 -0.007 0.000 0.330 341 Y C 1.070 176.909 175.900 -0.102 0.000 1.133 341 Y CA -0.738 57.321 58.100 -0.069 0.000 1.152 341 Y CB 1.076 39.532 38.460 -0.007 0.000 1.215 341 Y HN -0.013 nan 8.280 nan 0.000 0.466 342 K N 2.617 122.974 120.400 -0.072 0.000 2.350 342 K HA 0.362 4.678 4.320 -0.007 0.000 0.279 342 K C -1.348 175.281 176.600 0.049 0.000 1.027 342 K CA -0.408 55.754 56.287 -0.209 0.000 0.969 342 K CB 0.712 32.729 32.500 -0.806 0.000 0.954 342 K HN 0.332 nan 8.250 nan 0.000 0.474 343 L N 4.409 125.677 121.223 0.075 0.000 2.409 343 L HA 0.343 4.679 4.340 -0.007 0.000 0.272 343 L C -1.051 175.889 176.870 0.117 0.000 0.980 343 L CA -0.498 54.420 54.840 0.130 0.000 0.826 343 L CB 1.355 43.452 42.059 0.064 0.000 1.268 343 L HN 0.539 nan 8.230 nan 0.000 0.407 344 L N 6.091 127.391 121.223 0.128 0.000 2.473 344 L HA 0.355 4.691 4.340 -0.007 0.000 0.268 344 L C -1.696 175.094 176.870 -0.133 0.000 1.215 344 L CA -1.625 53.225 54.840 0.016 0.000 0.823 344 L CB 0.079 42.098 42.059 -0.066 0.000 1.099 344 L HN 0.524 nan 8.230 nan 0.000 0.483 345 P HA 0.011 nan 4.420 nan 0.000 0.268 345 P C -2.181 174.768 177.300 -0.584 0.000 1.208 345 P CA -1.202 61.606 63.100 -0.486 0.000 0.777 345 P CB -0.108 31.074 31.700 -0.864 0.000 0.875 346 P HA -0.144 nan 4.420 nan 0.000 0.222 346 P C 1.032 178.202 177.300 -0.217 0.000 1.147 346 P CA 1.559 64.516 63.100 -0.238 0.000 0.790 346 P CB -0.496 31.141 31.700 -0.105 0.000 0.780 347 Y N -1.532 118.714 120.300 -0.089 0.000 2.529 347 Y HA 0.498 5.044 4.550 -0.007 0.000 0.290 347 Y C 0.509 176.281 175.900 -0.214 0.000 1.177 347 Y CA -1.111 56.915 58.100 -0.124 0.000 1.305 347 Y CB -0.767 37.642 38.460 -0.085 0.000 1.047 347 Y HN -0.208 nan 8.280 nan 0.000 0.522 348 L N 1.782 122.812 121.223 -0.322 0.000 2.439 348 L HA 0.651 4.987 4.340 -0.007 0.000 0.270 348 L C -1.202 175.471 176.870 -0.327 0.000 0.972 348 L CA -1.007 53.616 54.840 -0.361 0.000 0.836 348 L CB 1.362 43.091 42.059 -0.549 0.000 1.255 348 L HN 0.012 nan 8.230 nan 0.000 0.404 349 R N 2.911 123.226 120.500 -0.308 0.000 2.869 349 R HA 0.827 5.162 4.340 -0.007 0.000 0.263 349 R C -1.594 174.529 176.300 -0.294 0.000 1.066 349 R CA -0.867 55.073 56.100 -0.266 0.000 0.960 349 R CB 2.246 32.418 30.300 -0.214 0.000 1.221 349 R HN 0.378 nan 8.270 nan 0.000 0.474 350 V N 1.524 121.274 119.914 -0.275 0.000 2.735 350 V HA 0.552 4.668 4.120 -0.007 0.000 0.310 350 V C -0.354 175.565 176.094 -0.293 0.000 1.061 350 V CA -0.870 61.260 62.300 -0.283 0.000 0.913 350 V CB 2.441 34.091 31.823 -0.289 0.000 1.005 350 V HN 0.629 nan 8.190 nan 0.000 0.428 351 I N 3.155 123.568 120.570 -0.262 0.000 2.418 351 I HA 0.541 4.706 4.170 -0.007 0.000 0.287 351 I C -0.638 175.338 176.117 -0.235 0.000 1.008 351 I CA -0.611 60.525 61.300 -0.273 0.000 1.104 351 I CB 1.795 39.684 38.000 -0.186 0.000 1.264 351 I HN 0.752 nan 8.210 nan 0.000 0.438 352 Q N 5.661 125.267 119.800 -0.324 0.000 2.360 352 Q HA 0.483 4.819 4.340 -0.007 0.000 0.254 352 Q C 0.025 175.974 176.000 -0.086 0.000 0.975 352 Q CA -0.159 55.544 55.803 -0.166 0.000 0.912 352 Q CB 1.505 30.161 28.738 -0.137 0.000 1.212 352 Q HN 0.759 nan 8.270 nan 0.000 0.452 353 G N 3.052 111.841 108.800 -0.018 0.000 3.863 353 G HA2 0.146 4.102 3.960 -0.007 0.000 0.290 353 G HA3 0.146 4.102 3.960 -0.007 0.000 0.290 353 G C -0.724 174.242 174.900 0.110 0.000 1.018 353 G CA -0.268 44.821 45.100 -0.018 0.000 0.824 353 G HN 0.600 nan 8.290 nan 0.000 0.507 354 D N -1.051 119.399 120.400 0.082 0.000 2.498 354 D HA 0.471 5.106 4.640 -0.007 0.000 0.247 354 D C 1.074 177.411 176.300 0.061 0.000 1.070 354 D CA 0.330 54.382 54.000 0.087 0.000 0.842 354 D CB 1.283 42.133 40.800 0.084 0.000 1.361 354 D HN 0.253 nan 8.370 nan 0.000 0.484 355 G N 2.035 110.867 108.800 0.054 0.000 2.203 355 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.263 355 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.263 355 G C 0.055 174.967 174.900 0.019 0.000 1.012 355 G CA 0.364 45.487 45.100 0.037 0.000 0.749 355 G HN 0.552 nan 8.290 nan 0.000 0.512 356 V N 1.808 121.727 119.914 0.009 0.000 2.385 356 V HA 0.567 4.683 4.120 -0.007 0.000 0.269 356 V C 0.285 176.347 176.094 -0.053 0.000 1.043 356 V CA 0.175 62.456 62.300 -0.032 0.000 0.906 356 V CB 1.186 32.991 31.823 -0.029 0.000 0.995 356 V HN 0.619 nan 8.190 nan 0.000 0.467 357 D N 3.259 123.621 120.400 -0.062 0.000 2.714 357 D HA 0.281 4.917 4.640 -0.007 0.000 0.278 357 D C 1.025 177.278 176.300 -0.078 0.000 1.102 357 D CA -0.903 53.068 54.000 -0.049 0.000 1.108 357 D CB 1.182 41.980 40.800 -0.004 0.000 1.444 357 D HN 0.263 nan 8.370 nan 0.000 0.568 358 I N -0.104 120.445 120.570 -0.035 0.000 2.335 358 I HA -0.267 3.899 4.170 -0.007 0.000 0.251 358 I C 1.061 177.134 176.117 -0.074 0.000 1.129 358 I CA 1.354 62.626 61.300 -0.047 0.000 1.402 358 I CB -0.099 37.916 38.000 0.025 0.000 1.069 358 I HN 0.245 nan 8.210 nan 0.000 0.424 359 N N 0.222 118.894 118.700 -0.046 0.000 2.135 359 N HA -0.136 4.600 4.740 -0.007 0.000 0.186 359 N C 1.879 177.345 175.510 -0.073 0.000 1.027 359 N CA 2.129 55.151 53.050 -0.048 0.000 0.849 359 N CB -0.671 37.807 38.487 -0.015 0.000 1.002 359 N HN 0.509 nan 8.380 nan 0.000 0.425 360 T N -0.330 114.178 114.554 -0.076 0.000 2.985 360 T HA -0.008 4.338 4.350 -0.007 0.000 0.266 360 T C 2.067 176.671 174.700 -0.161 0.000 1.076 360 T CA 0.340 62.391 62.100 -0.082 0.000 1.135 360 T CB -0.429 68.412 68.868 -0.044 0.000 0.890 360 T HN 0.044 nan 8.240 nan 0.000 0.480 361 L N 1.511 122.578 121.223 -0.260 0.000 1.989 361 L HA -0.106 4.230 4.340 -0.007 0.000 0.211 361 L C 2.762 179.386 176.870 -0.410 0.000 1.071 361 L CA 2.340 56.878 54.840 -0.503 0.000 0.749 361 L CB -1.027 40.714 42.059 -0.530 0.000 0.890 361 L HN 0.300 nan 8.230 nan 0.000 0.431 362 Q N 0.119 119.753 119.800 -0.277 0.000 2.077 362 Q HA -0.303 4.033 4.340 -0.007 0.000 0.206 362 Q C 2.208 178.066 176.000 -0.237 0.000 0.989 362 Q CA 2.442 58.096 55.803 -0.249 0.000 0.853 362 Q CB -0.532 28.126 28.738 -0.134 0.000 0.907 362 Q HN 0.705 nan 8.270 nan 0.000 0.418 363 E N -0.569 119.541 120.200 -0.151 0.000 2.077 363 E HA -0.188 4.158 4.350 -0.007 0.000 0.193 363 E C 1.948 178.497 176.600 -0.084 0.000 0.989 363 E CA 1.475 57.821 56.400 -0.090 0.000 0.800 363 E CB -0.197 29.474 29.700 -0.049 0.000 0.746 363 E HN 0.562 nan 8.360 nan 0.000 0.452 364 I N 0.791 121.309 120.570 -0.086 0.000 2.202 364 I HA -0.234 3.932 4.170 -0.007 0.000 0.242 364 I C 2.624 178.730 176.117 -0.018 0.000 1.091 364 I CA 1.104 62.407 61.300 0.004 0.000 1.368 364 I CB -0.360 37.728 38.000 0.148 0.000 1.058 364 I HN 0.140 nan 8.210 nan 0.000 0.410 365 V N -0.782 119.040 119.914 -0.152 0.000 2.407 365 V HA -0.226 3.890 4.120 -0.007 0.000 0.248 365 V C 2.362 178.244 176.094 -0.354 0.000 1.055 365 V CA 2.073 64.221 62.300 -0.253 0.000 1.049 365 V CB -0.866 30.681 31.823 -0.461 0.000 0.662 365 V HN 0.415 nan 8.190 nan 0.000 0.455 366 E N 2.205 122.149 120.200 -0.427 0.000 2.072 366 E HA 0.002 4.348 4.350 -0.007 0.000 0.191 366 E C 2.174 178.807 176.600 0.055 0.000 0.985 366 E CA 1.869 58.205 56.400 -0.108 0.000 0.801 366 E CB -1.067 28.607 29.700 -0.043 0.000 0.750 366 E HN 0.553 nan 8.360 nan 0.000 0.452 367 G N 0.339 109.155 108.800 0.027 0.000 2.422 367 G HA2 -0.257 3.699 3.960 -0.007 0.000 0.218 367 G HA3 -0.257 3.699 3.960 -0.007 0.000 0.218 367 G C 1.653 176.636 174.900 0.138 0.000 1.146 367 G CA 1.075 46.222 45.100 0.078 0.000 0.769 367 G HN 0.261 nan 8.290 nan 0.000 0.547 368 M N 0.028 119.711 119.600 0.139 0.000 2.086 368 M HA -0.012 4.464 4.480 -0.007 0.000 0.261 368 M C 2.531 179.018 176.300 0.312 0.000 1.067 368 M CA 1.602 57.043 55.300 0.236 0.000 1.116 368 M CB -0.244 32.468 32.600 0.187 0.000 1.348 368 M HN 0.192 nan 8.290 nan 0.000 0.407 369 K N 0.486 121.045 120.400 0.264 0.000 2.032 369 K HA -0.234 4.082 4.320 -0.007 0.000 0.209 369 K C 1.876 178.678 176.600 0.337 0.000 1.048 369 K CA 1.703 58.194 56.287 0.340 0.000 0.927 369 K CB -0.076 32.634 32.500 0.349 0.000 0.712 369 K HN 0.429 nan 8.250 nan 0.000 0.441 370 Q N -0.116 119.825 119.800 0.236 0.000 2.170 370 Q HA -0.086 4.250 4.340 -0.007 0.000 0.203 370 Q C 1.245 177.333 176.000 0.147 0.000 0.976 370 Q CA 1.026 56.930 55.803 0.169 0.000 0.858 370 Q CB 0.188 29.005 28.738 0.132 0.000 0.907 370 Q HN 0.132 nan 8.270 nan 0.000 0.433 371 K N -0.098 120.422 120.400 0.200 0.000 2.437 371 K HA 0.115 4.431 4.320 -0.007 0.000 0.198 371 K C 0.064 176.707 176.600 0.070 0.000 1.024 371 K CA 0.001 56.401 56.287 0.188 0.000 1.148 371 K CB 0.637 33.344 32.500 0.346 0.000 0.860 371 K HN 0.210 nan 8.250 nan 0.000 0.515 372 M N -1.180 118.487 119.600 0.112 0.000 2.653 372 M HA -0.197 4.279 4.480 -0.007 0.000 0.203 372 M C -1.144 175.184 176.300 0.047 0.000 0.502 372 M CA 0.886 56.194 55.300 0.014 0.000 0.601 372 M CB -2.626 29.804 32.600 -0.283 0.000 2.228 372 M HN 0.178 nan 8.290 nan 0.000 0.711 373 W N 0.452 121.917 121.300 0.277 0.000 2.391 373 W HA 0.550 5.205 4.660 -0.007 0.000 0.311 373 W C 0.946 177.565 176.519 0.167 0.000 1.087 373 W CA -0.355 57.103 57.345 0.188 0.000 1.209 373 W CB 1.169 30.688 29.460 0.099 0.000 1.273 373 W HN 0.224 nan 8.180 nan 0.000 0.482 374 S N 3.376 119.297 115.700 0.369 0.000 2.562 374 S HA 0.061 4.527 4.470 -0.007 0.000 0.281 374 S C 1.238 175.916 174.600 0.130 0.000 1.333 374 S CA -0.506 57.785 58.200 0.152 0.000 1.052 374 S CB 0.412 63.690 63.200 0.130 0.000 0.884 374 S HN 0.407 nan 8.310 nan 0.000 0.506 375 I N 4.036 124.643 120.570 0.060 0.000 2.756 375 I HA -0.067 4.099 4.170 -0.007 0.000 0.262 375 I C 2.087 178.234 176.117 0.050 0.000 1.225 375 I CA 1.010 62.356 61.300 0.078 0.000 1.472 375 I CB -1.611 36.455 38.000 0.110 0.000 1.094 375 I HN 0.762 nan 8.210 nan 0.000 0.454 376 E N 1.092 121.316 120.200 0.041 0.000 2.171 376 E HA -0.221 4.125 4.350 -0.007 0.000 0.197 376 E C 1.692 178.287 176.600 -0.009 0.000 0.997 376 E CA 1.025 57.438 56.400 0.022 0.000 0.810 376 E CB -0.109 29.606 29.700 0.024 0.000 0.738 376 E HN 0.541 nan 8.360 nan 0.000 0.467 377 N N 0.169 118.870 118.700 0.001 0.000 2.381 377 N HA -0.034 4.702 4.740 -0.007 0.000 0.182 377 N C 0.554 175.977 175.510 -0.145 0.000 1.025 377 N CA 0.674 53.691 53.050 -0.054 0.000 0.888 377 N CB 0.416 38.900 38.487 -0.006 0.000 0.965 377 N HN 0.165 nan 8.380 nan 0.000 0.438 378 I N -0.158 120.318 120.570 -0.156 0.000 2.646 378 I HA 0.501 4.667 4.170 -0.007 0.000 0.299 378 I C -1.161 174.769 176.117 -0.311 0.000 1.036 378 I CA -0.748 60.369 61.300 -0.305 0.000 1.074 378 I CB 1.930 39.677 38.000 -0.421 0.000 1.258 378 I HN -0.128 nan 8.210 nan 0.000 0.430 379 A N 5.330 127.890 122.820 -0.433 0.000 2.430 379 A HA 0.841 5.156 4.320 -0.007 0.000 0.300 379 A C -1.717 175.491 177.584 -0.627 0.000 1.124 379 A CA -0.404 51.434 52.037 -0.331 0.000 0.766 379 A CB 1.042 19.959 19.000 -0.138 0.000 1.328 379 A HN 0.524 nan 8.150 nan 0.000 0.424 380 F N -0.230 119.632 119.950 -0.147 0.000 2.546 380 F HA 0.640 5.163 4.527 -0.007 0.000 0.320 380 F C 0.844 176.416 175.800 -0.381 0.000 1.076 380 F CA -0.338 57.525 58.000 -0.229 0.000 0.928 380 F CB 2.644 41.523 39.000 -0.202 0.000 1.189 380 F HN 0.713 nan 8.300 nan 0.000 0.465 381 G N 0.469 109.009 108.800 -0.433 0.000 2.470 381 G HA2 0.506 4.462 3.960 -0.007 0.000 0.320 381 G HA3 0.506 4.462 3.960 -0.007 0.000 0.320 381 G C -1.512 172.979 174.900 -0.682 0.000 1.245 381 G CA -0.623 43.774 45.100 -1.172 0.000 0.935 381 G HN 0.585 nan 8.290 nan 0.000 0.476 382 S N 0.759 116.154 115.700 -0.508 0.000 2.557 382 S HA 0.746 5.212 4.470 -0.007 0.000 0.291 382 S C 0.725 175.280 174.600 -0.075 0.000 1.116 382 S CA 0.125 58.197 58.200 -0.213 0.000 0.992 382 S CB 1.490 64.573 63.200 -0.196 0.000 1.028 382 S HN 0.923 nan 8.310 nan 0.000 0.484 383 G N 3.079 111.906 108.800 0.044 0.000 2.508 383 G HA2 0.350 4.306 3.960 -0.007 0.000 0.217 383 G HA3 0.350 4.306 3.960 -0.007 0.000 0.217 383 G C 1.279 176.220 174.900 0.069 0.000 2.004 383 G CA 0.436 45.604 45.100 0.114 0.000 0.750 383 G HN 0.934 nan 8.290 nan 0.000 0.730 384 G N 0.670 109.517 108.800 0.077 0.000 2.442 384 G HA2 0.064 4.020 3.960 -0.007 0.000 0.219 384 G HA3 0.064 4.020 3.960 -0.007 0.000 0.219 384 G C 1.738 176.675 174.900 0.061 0.000 1.141 384 G CA 1.628 46.771 45.100 0.072 0.000 0.763 384 G HN 0.752 nan 8.290 nan 0.000 0.554 385 G N 0.470 109.294 108.800 0.039 0.000 2.432 385 G HA2 -0.103 3.853 3.960 -0.007 0.000 0.219 385 G HA3 -0.103 3.853 3.960 -0.007 0.000 0.219 385 G C 1.699 176.610 174.900 0.019 0.000 1.135 385 G CA 1.027 46.144 45.100 0.027 0.000 0.767 385 G HN 0.414 nan 8.290 nan 0.000 0.550 386 L N -0.523 120.692 121.223 -0.013 0.000 2.127 386 L HA 0.363 4.699 4.340 -0.007 0.000 0.203 386 L C 2.257 179.124 176.870 -0.005 0.000 1.080 386 L CA 1.295 56.104 54.840 -0.051 0.000 0.768 386 L CB 0.035 41.989 42.059 -0.175 0.000 0.924 386 L HN 0.169 nan 8.230 nan 0.000 0.444 387 L N -1.997 119.252 121.223 0.043 0.000 2.749 387 L HA 0.211 4.547 4.340 -0.007 0.000 0.242 387 L C 1.753 178.765 176.870 0.235 0.000 1.103 387 L CA 0.065 54.979 54.840 0.122 0.000 0.906 387 L CB 0.289 42.410 42.059 0.102 0.000 1.228 387 L HN 0.255 nan 8.230 nan 0.000 0.517 388 Q N 0.772 120.671 119.800 0.166 0.000 2.532 388 Q HA 0.065 4.401 4.340 -0.007 0.000 0.247 388 Q C 1.131 177.230 176.000 0.166 0.000 0.872 388 Q CA 0.715 56.614 55.803 0.160 0.000 0.963 388 Q CB 0.523 29.323 28.738 0.103 0.000 1.159 388 Q HN 0.040 nan 8.270 nan 0.000 0.598 389 K N 1.198 121.677 120.400 0.131 0.000 2.715 389 K HA 0.251 4.566 4.320 -0.007 0.000 0.248 389 K C -1.181 175.500 176.600 0.135 0.000 1.276 389 K CA 0.063 56.418 56.287 0.112 0.000 1.209 389 K CB -0.769 31.779 32.500 0.079 0.000 1.509 389 K HN 0.142 nan 8.250 nan 0.000 0.261 390 L N 0.484 121.828 121.223 0.203 0.000 2.472 390 L HA 0.400 4.736 4.340 -0.007 0.000 0.260 390 L C -0.361 176.695 176.870 0.309 0.000 0.963 390 L CA -0.905 54.087 54.840 0.252 0.000 0.829 390 L CB 2.442 44.702 42.059 0.335 0.000 1.348 390 L HN 0.258 nan 8.230 nan 0.000 0.408 391 T N -2.840 111.769 114.554 0.092 0.000 2.887 391 T HA 0.393 4.739 4.350 -0.007 0.000 0.292 391 T C 0.546 174.811 174.700 -0.727 0.000 1.087 391 T CA -0.833 61.078 62.100 -0.315 0.000 1.009 391 T CB 2.208 70.941 68.868 -0.225 0.000 1.203 391 T HN 0.643 nan 8.240 nan 0.000 0.518 392 R N -0.126 119.560 120.500 -1.358 0.000 2.193 392 R HA -0.096 4.240 4.340 -0.007 0.000 0.229 392 R C 1.040 177.098 176.300 -0.404 0.000 1.110 392 R CA 1.511 56.965 56.100 -1.076 0.000 0.988 392 R CB -0.290 29.331 30.300 -1.131 0.000 0.871 392 R HN 0.644 nan 8.270 nan 0.000 0.458 393 D N 0.191 120.401 120.400 -0.317 0.000 2.323 393 D HA -0.107 4.529 4.640 -0.007 0.000 0.209 393 D C 1.710 177.942 176.300 -0.114 0.000 0.973 393 D CA 0.321 54.218 54.000 -0.172 0.000 0.874 393 D CB 0.164 40.882 40.800 -0.137 0.000 0.930 393 D HN 0.169 nan 8.370 nan 0.000 0.521 394 L N 0.455 121.607 121.223 -0.119 0.000 2.012 394 L HA -0.129 4.207 4.340 -0.007 0.000 0.210 394 L C 1.713 178.514 176.870 -0.114 0.000 1.073 394 L CA 1.693 56.466 54.840 -0.112 0.000 0.748 394 L CB -0.199 41.766 42.059 -0.156 0.000 0.891 394 L HN -0.009 nan 8.230 nan 0.000 0.431 395 L N -0.868 120.306 121.223 -0.081 0.000 2.769 395 L HA 0.231 4.567 4.340 -0.007 0.000 0.240 395 L C 0.203 177.060 176.870 -0.022 0.000 1.163 395 L CA -0.115 54.706 54.840 -0.032 0.000 0.962 395 L CB -0.564 41.506 42.059 0.018 0.000 1.258 395 L HN 0.329 nan 8.230 nan 0.000 0.513 396 N N -0.320 118.347 118.700 -0.054 0.000 2.705 396 N HA -0.179 4.557 4.740 -0.007 0.000 0.255 396 N C -0.178 175.256 175.510 -0.126 0.000 1.008 396 N CA -0.107 52.895 53.050 -0.080 0.000 0.742 396 N CB -1.214 37.239 38.487 -0.056 0.000 0.906 396 N HN 0.322 nan 8.380 nan 0.000 0.541 397 C N 0.768 119.997 119.300 -0.118 0.000 2.629 397 C HA 0.435 4.890 4.460 -0.007 0.000 0.410 397 C C 1.094 175.893 174.990 -0.319 0.000 1.339 397 C CA -0.251 58.630 59.018 -0.228 0.000 1.810 397 C CB 0.345 28.174 27.740 0.149 0.000 2.549 397 C HN 0.480 nan 8.230 nan 0.000 0.589 398 S N 2.463 117.794 115.700 -0.614 0.000 2.548 398 S HA 0.698 5.164 4.470 -0.007 0.000 0.276 398 S C -1.303 173.014 174.600 -0.472 0.000 1.129 398 S CA -0.413 57.555 58.200 -0.386 0.000 0.931 398 S CB 0.838 63.865 63.200 -0.288 0.000 1.068 398 S HN 0.591 nan 8.310 nan 0.000 0.480 399 F N 4.816 124.588 119.950 -0.297 0.000 2.449 399 F HA 0.725 5.247 4.527 -0.008 0.000 0.342 399 F C -0.458 175.222 175.800 -0.199 0.000 1.127 399 F CA -0.391 57.478 58.000 -0.218 0.000 0.975 399 F CB 0.881 39.928 39.000 0.078 0.000 1.146 399 F HN 0.384 nan 8.300 nan 0.000 0.444 400 K N 5.134 125.202 120.400 -0.552 0.000 2.502 400 K HA 0.263 4.579 4.320 -0.007 0.000 0.257 400 K C -1.396 175.119 176.600 -0.141 0.000 0.938 400 K CA -0.640 55.514 56.287 -0.222 0.000 0.819 400 K CB 1.698 34.104 32.500 -0.157 0.000 1.333 400 K HN 0.716 nan 8.250 nan 0.000 0.434 401 C N 2.176 121.525 119.300 0.081 0.000 2.632 401 C HA 0.235 4.691 4.460 -0.007 0.000 0.415 401 C C 1.616 176.767 174.990 0.268 0.000 1.332 401 C CA 0.455 59.579 59.018 0.177 0.000 1.874 401 C CB -1.031 26.835 27.740 0.210 0.000 2.596 401 C HN 0.863 nan 8.230 nan 0.000 0.590 402 S N 3.246 119.166 115.700 0.367 0.000 2.604 402 S HA 0.236 4.702 4.470 -0.007 0.000 0.235 402 S C -0.347 174.487 174.600 0.390 0.000 1.043 402 S CA -0.161 58.265 58.200 0.377 0.000 0.997 402 S CB 0.084 63.485 63.200 0.335 0.000 0.956 402 S HN 0.949 nan 8.310 nan 0.000 0.535 403 Y N 1.476 121.921 120.300 0.241 0.000 2.436 403 Y HA 0.557 5.103 4.550 -0.007 0.000 0.327 403 Y C -1.313 174.662 175.900 0.125 0.000 1.138 403 Y CA -1.120 57.047 58.100 0.112 0.000 1.042 403 Y CB 1.843 40.248 38.460 -0.091 0.000 1.302 403 Y HN 0.295 nan 8.280 nan 0.000 0.439 404 V N 2.682 122.325 119.914 -0.452 0.000 3.102 404 V HA 0.907 5.023 4.120 -0.007 0.000 0.312 404 V C -1.712 174.022 176.094 -0.602 0.000 1.135 404 V CA -1.087 60.989 62.300 -0.373 0.000 1.022 404 V CB 1.713 33.449 31.823 -0.145 0.000 1.056 404 V HN 0.562 nan 8.190 nan 0.000 0.436 405 V N 1.646 121.355 119.914 -0.342 0.000 2.407 405 V HA 0.652 4.767 4.120 -0.007 0.000 0.291 405 V C -0.016 175.983 176.094 -0.158 0.000 1.018 405 V CA 0.028 62.178 62.300 -0.249 0.000 0.842 405 V CB 1.415 33.152 31.823 -0.143 0.000 0.996 405 V HN 1.108 nan 8.190 nan 0.000 0.426 406 T N 3.543 118.015 114.554 -0.136 0.000 2.848 406 T HA 0.389 4.735 4.350 -0.007 0.000 0.285 406 T C 0.313 174.966 174.700 -0.078 0.000 0.995 406 T CA -0.528 61.508 62.100 -0.107 0.000 0.970 406 T CB 0.879 69.692 68.868 -0.093 0.000 0.976 406 T HN 0.798 nan 8.240 nan 0.000 0.441 407 N N 1.579 120.237 118.700 -0.070 0.000 2.735 407 N HA -0.215 4.520 4.740 -0.007 0.000 0.248 407 N C 0.995 176.481 175.510 -0.039 0.000 1.083 407 N CA 0.709 53.729 53.050 -0.049 0.000 0.703 407 N CB -1.071 37.392 38.487 -0.041 0.000 1.005 407 N HN 1.226 nan 8.380 nan 0.000 0.550 408 G N -0.894 107.881 108.800 -0.042 0.000 2.155 408 G HA2 -0.326 3.630 3.960 -0.007 0.000 0.257 408 G HA3 -0.326 3.630 3.960 -0.007 0.000 0.257 408 G C -0.036 174.850 174.900 -0.024 0.000 0.983 408 G CA 0.557 45.641 45.100 -0.026 0.000 0.676 408 G HN 0.473 nan 8.290 nan 0.000 0.528 409 L N 1.065 122.262 121.223 -0.043 0.000 2.325 409 L HA 0.703 5.039 4.340 -0.007 0.000 0.281 409 L C 0.877 177.697 176.870 -0.083 0.000 1.004 409 L CA -0.425 54.392 54.840 -0.038 0.000 0.823 409 L CB 1.358 43.398 42.059 -0.031 0.000 1.236 409 L HN 0.157 nan 8.230 nan 0.000 0.415 410 G N 5.738 114.505 108.800 -0.055 0.000 2.364 410 G HA2 0.491 4.447 3.960 -0.007 0.000 0.267 410 G HA3 0.491 4.447 3.960 -0.007 0.000 0.267 410 G C -0.608 174.236 174.900 -0.094 0.000 1.233 410 G CA -0.364 44.638 45.100 -0.164 0.000 0.885 410 G HN 0.690 nan 8.290 nan 0.000 0.490 411 I N -0.464 119.963 120.570 -0.238 0.000 2.608 411 I HA 0.486 4.651 4.170 -0.007 0.000 0.295 411 I C -0.964 175.177 176.117 0.040 0.000 1.049 411 I CA -1.474 59.798 61.300 -0.047 0.000 1.063 411 I CB 2.395 40.372 38.000 -0.038 0.000 1.248 411 I HN 0.118 nan 8.210 nan 0.000 0.424 412 N N 4.696 123.492 118.700 0.160 0.000 2.430 412 N HA 0.395 5.130 4.740 -0.007 0.000 0.265 412 N C -0.724 174.941 175.510 0.259 0.000 1.100 412 N CA -0.222 52.964 53.050 0.228 0.000 0.961 412 N CB 1.847 40.436 38.487 0.170 0.000 1.075 412 N HN 0.458 nan 8.380 nan 0.000 0.478 413 V N 3.724 123.803 119.914 0.275 0.000 2.628 413 V HA 0.708 4.824 4.120 -0.007 0.000 0.306 413 V C -0.434 175.883 176.094 0.373 0.000 1.045 413 V CA -0.655 61.793 62.300 0.247 0.000 0.905 413 V CB 0.830 32.743 31.823 0.149 0.000 0.997 413 V HN 0.641 nan 8.190 nan 0.000 0.436 414 F N 2.273 122.273 119.950 0.084 0.000 2.741 414 F HA 0.723 5.245 4.527 -0.007 0.000 0.311 414 F C -1.032 174.807 175.800 0.065 0.000 1.149 414 F CA -1.404 56.647 58.000 0.085 0.000 0.930 414 F CB 1.564 40.605 39.000 0.070 0.000 1.312 414 F HN 0.476 nan 8.300 nan 0.000 0.450 415 K N 0.482 120.948 120.400 0.110 0.000 2.208 415 K HA 0.698 5.013 4.320 -0.007 0.000 0.247 415 K C -1.808 174.917 176.600 0.209 0.000 0.953 415 K CA -0.734 55.559 56.287 0.009 0.000 0.837 415 K CB 2.218 34.734 32.500 0.028 0.000 1.131 415 K HN 0.691 nan 8.250 nan 0.000 0.431 416 D N 2.337 122.815 120.400 0.131 0.000 2.823 416 D HA 0.281 4.917 4.640 -0.007 0.000 0.255 416 D C -2.575 173.781 176.300 0.094 0.000 1.257 416 D CA -1.290 52.824 54.000 0.190 0.000 0.803 416 D CB 0.777 41.792 40.800 0.359 0.000 1.384 416 D HN 0.381 nan 8.370 nan 0.000 0.541 417 P HA 0.050 nan 4.420 nan 0.000 0.271 417 P C 1.148 178.471 177.300 0.037 0.000 1.220 417 P CA -0.487 62.635 63.100 0.036 0.000 0.768 417 P CB 1.603 33.319 31.700 0.027 0.000 0.848 418 V N 3.169 123.100 119.914 0.029 0.000 2.392 418 V HA -0.242 3.874 4.120 -0.007 0.000 0.249 418 V C 1.731 177.839 176.094 0.023 0.000 1.059 418 V CA 2.680 64.997 62.300 0.028 0.000 1.051 418 V CB -0.912 30.924 31.823 0.021 0.000 0.658 418 V HN 0.692 nan 8.190 nan 0.000 0.455 419 A N -1.389 121.441 122.820 0.018 0.000 2.275 419 A HA 0.192 4.508 4.320 -0.007 0.000 0.212 419 A C 0.689 178.282 177.584 0.014 0.000 1.201 419 A CA 0.645 52.691 52.037 0.014 0.000 0.843 419 A CB -0.058 18.948 19.000 0.010 0.000 0.873 419 A HN 0.551 nan 8.150 nan 0.000 0.492 420 D N -1.152 119.259 120.400 0.019 0.000 2.381 420 D HA 0.293 4.929 4.640 -0.007 0.000 0.245 420 D C -2.485 173.831 176.300 0.027 0.000 1.297 420 D CA -1.358 52.654 54.000 0.019 0.000 0.931 420 D CB 1.359 42.167 40.800 0.013 0.000 1.334 420 D HN -0.089 nan 8.370 nan 0.000 0.535 421 P HA -0.035 nan 4.420 nan 0.000 0.222 421 P C 1.090 178.409 177.300 0.031 0.000 1.147 421 P CA 0.566 63.686 63.100 0.033 0.000 0.790 421 P CB 0.383 32.099 31.700 0.026 0.000 0.780 422 N N -0.167 118.547 118.700 0.023 0.000 2.381 422 N HA -0.100 4.635 4.740 -0.007 0.000 0.182 422 N C 1.197 176.719 175.510 0.020 0.000 1.025 422 N CA 0.972 54.033 53.050 0.019 0.000 0.888 422 N CB -0.183 38.311 38.487 0.012 0.000 0.965 422 N HN 0.321 nan 8.380 nan 0.000 0.438 423 K N 1.194 121.609 120.400 0.025 0.000 2.404 423 K HA 0.037 4.352 4.320 -0.007 0.000 0.194 423 K C 0.059 176.693 176.600 0.056 0.000 1.023 423 K CA -0.262 56.041 56.287 0.027 0.000 1.094 423 K CB 0.313 32.825 32.500 0.020 0.000 0.841 423 K HN 0.222 nan 8.250 nan 0.000 0.523 424 R N 1.380 121.924 120.500 0.073 0.000 2.570 424 R HA 0.050 4.385 4.340 -0.007 0.000 0.277 424 R C -0.060 176.316 176.300 0.127 0.000 1.039 424 R CA 0.002 56.173 56.100 0.118 0.000 1.065 424 R CB 0.334 30.696 30.300 0.103 0.000 0.964 424 R HN -0.113 nan 8.270 nan 0.000 0.428 425 S N 1.455 117.272 115.700 0.196 0.000 2.681 425 S HA 0.470 4.936 4.470 -0.007 0.000 0.299 425 S C -0.477 174.248 174.600 0.207 0.000 1.113 425 S CA -1.140 57.203 58.200 0.238 0.000 1.013 425 S CB 1.255 64.615 63.200 0.267 0.000 1.076 425 S HN 0.638 nan 8.310 nan 0.000 0.534 426 K N 0.673 121.187 120.400 0.190 0.000 2.168 426 K HA 0.320 4.635 4.320 -0.007 0.000 0.258 426 K C -0.366 176.235 176.600 0.003 0.000 1.010 426 K CA -0.354 55.905 56.287 -0.046 0.000 0.929 426 K CB 0.499 32.797 32.500 -0.337 0.000 0.998 426 K HN 0.500 nan 8.250 nan 0.000 0.479 427 K N 0.916 121.279 120.400 -0.062 0.000 2.182 427 K HA 0.401 4.717 4.320 -0.007 0.000 0.262 427 K C 0.079 176.677 176.600 -0.004 0.000 0.957 427 K CA -0.421 55.873 56.287 0.011 0.000 0.842 427 K CB 1.723 34.171 32.500 -0.087 0.000 1.099 427 K HN 0.832 nan 8.250 nan 0.000 0.438 428 G N 2.036 110.890 108.800 0.090 0.000 2.698 428 G HA2 -0.287 3.669 3.960 -0.007 0.000 0.233 428 G HA3 -0.287 3.669 3.960 -0.007 0.000 0.233 428 G C -0.800 173.988 174.900 -0.187 0.000 1.352 428 G CA -0.741 44.370 45.100 0.020 0.000 0.879 428 G HN 0.631 nan 8.290 nan 0.000 0.567 429 R N -0.467 119.715 120.500 -0.530 0.000 2.442 429 R HA 0.437 4.773 4.340 -0.007 0.000 0.291 429 R C 0.351 176.490 176.300 -0.268 0.000 1.069 429 R CA 0.029 55.712 56.100 -0.696 0.000 1.022 429 R CB 0.165 29.954 30.300 -0.851 0.000 0.976 429 R HN 0.423 nan 8.270 nan 0.000 0.443 430 L N 1.545 122.733 121.223 -0.058 0.000 2.330 430 L HA 0.557 4.893 4.340 -0.007 0.000 0.271 430 L C -0.009 176.863 176.870 0.003 0.000 1.013 430 L CA -0.701 54.117 54.840 -0.037 0.000 0.816 430 L CB 2.025 44.026 42.059 -0.097 0.000 1.287 430 L HN 0.737 nan 8.230 nan 0.000 0.435 431 S N 1.430 117.119 115.700 -0.017 0.000 2.550 431 S HA 0.704 5.170 4.470 -0.007 0.000 0.270 431 S C -1.302 173.234 174.600 -0.106 0.000 1.145 431 S CA -0.817 57.350 58.200 -0.056 0.000 0.852 431 S CB 2.191 65.395 63.200 0.007 0.000 1.119 431 S HN 0.440 nan 8.310 nan 0.000 0.465 432 L N 1.798 122.867 121.223 -0.257 0.000 2.322 432 L HA 0.780 5.116 4.340 -0.007 0.000 0.281 432 L C -1.289 175.350 176.870 -0.385 0.000 1.014 432 L CA 0.125 54.867 54.840 -0.163 0.000 0.815 432 L CB 1.166 43.204 42.059 -0.035 0.000 1.247 432 L HN 0.972 nan 8.230 nan 0.000 0.421 433 H N 1.935 121.009 119.070 0.007 0.000 2.928 433 H HA 0.644 5.195 4.556 -0.007 0.000 0.371 433 H C -0.992 174.331 175.328 -0.007 0.000 1.186 433 H CA -0.925 55.112 56.048 -0.018 0.000 1.134 433 H CB 1.348 31.011 29.762 -0.165 0.000 1.824 433 H HN 0.425 nan 8.280 nan 0.000 0.554 434 R N 0.804 121.380 120.500 0.127 0.000 2.308 434 R HA 0.290 4.625 4.340 -0.007 0.000 0.305 434 R C -0.242 176.152 176.300 0.157 0.000 1.053 434 R CA -0.362 55.733 56.100 -0.009 0.000 0.957 434 R CB 0.542 30.808 30.300 -0.056 0.000 1.022 434 R HN 0.844 nan 8.270 nan 0.000 0.461 435 T N 1.300 115.915 114.554 0.102 0.000 2.849 435 T HA 0.264 4.609 4.350 -0.007 0.000 0.284 435 T C -1.598 173.154 174.700 0.087 0.000 1.004 435 T CA -1.509 60.718 62.100 0.212 0.000 1.021 435 T CB 1.043 70.000 68.868 0.148 0.000 1.013 435 T HN 0.388 nan 8.240 nan 0.000 0.527 436 P HA 0.020 nan 4.420 nan 0.000 0.218 436 P C 1.230 178.524 177.300 -0.011 0.000 1.148 436 P CA 1.106 64.198 63.100 -0.012 0.000 0.822 436 P CB -0.246 31.427 31.700 -0.045 0.000 0.784 437 A N -1.205 121.614 122.820 -0.002 0.000 2.238 437 A HA 0.434 4.750 4.320 -0.007 0.000 0.208 437 A C 1.612 179.179 177.584 -0.030 0.000 1.177 437 A CA 0.754 52.784 52.037 -0.012 0.000 0.804 437 A CB -1.155 17.845 19.000 -0.001 0.000 0.823 437 A HN 0.250 nan 8.150 nan 0.000 0.482 438 G N -0.756 108.016 108.800 -0.047 0.000 2.132 438 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.234 438 G HA3 -0.247 3.709 3.960 -0.007 0.000 0.234 438 G C -0.027 174.766 174.900 -0.178 0.000 0.989 438 G CA 0.247 45.286 45.100 -0.101 0.000 0.676 438 G HN 0.645 nan 8.290 nan 0.000 0.522 439 N N -1.082 117.540 118.700 -0.131 0.000 2.538 439 N HA 0.753 5.489 4.740 -0.007 0.000 0.292 439 N C -0.377 174.992 175.510 -0.234 0.000 1.262 439 N CA -0.694 52.277 53.050 -0.132 0.000 0.976 439 N CB 0.564 39.061 38.487 0.018 0.000 1.161 439 N HN 0.060 nan 8.380 nan 0.000 0.598 440 F N 0.210 120.186 119.950 0.044 0.000 2.399 440 F HA 0.575 5.098 4.527 -0.006 0.000 0.334 440 F C 0.146 175.952 175.800 0.011 0.000 1.097 440 F CA -0.681 57.342 58.000 0.039 0.000 1.076 440 F CB 1.263 40.290 39.000 0.045 0.000 1.162 440 F HN -0.039 nan 8.300 nan 0.000 0.495 441 V N 2.001 122.007 119.914 0.153 0.000 2.760 441 V HA 0.508 4.623 4.120 -0.007 0.000 0.309 441 V C -0.838 175.257 176.094 0.003 0.000 1.077 441 V CA -0.302 62.009 62.300 0.019 0.000 0.910 441 V CB 2.369 34.111 31.823 -0.136 0.000 1.008 441 V HN 0.773 nan 8.190 nan 0.000 0.424 442 T N 7.910 122.453 114.554 -0.018 0.000 2.743 442 T HA 0.532 4.878 4.350 -0.007 0.000 0.292 442 T C -0.253 174.402 174.700 -0.075 0.000 0.972 442 T CA -0.096 61.983 62.100 -0.035 0.000 0.967 442 T CB 0.486 69.322 68.868 -0.055 0.000 0.926 442 T HN 0.496 nan 8.240 nan 0.000 0.459 443 L N 3.813 125.005 121.223 -0.051 0.000 2.312 443 L HA 0.469 4.805 4.340 -0.007 0.000 0.281 443 L C 0.740 177.559 176.870 -0.086 0.000 1.070 443 L CA -0.577 54.209 54.840 -0.090 0.000 0.805 443 L CB 0.989 42.979 42.059 -0.115 0.000 1.174 443 L HN 0.592 nan 8.230 nan 0.000 0.434 444 E N 1.509 121.648 120.200 -0.102 0.000 2.259 444 E HA 0.292 4.638 4.350 -0.007 0.000 0.257 444 E C -0.432 176.104 176.600 -0.107 0.000 0.998 444 E CA -0.777 55.553 56.400 -0.117 0.000 0.866 444 E CB 1.111 30.737 29.700 -0.124 0.000 1.220 444 E HN 0.500 nan 8.360 nan 0.000 0.415 445 E N -0.390 119.741 120.200 -0.115 0.000 2.722 445 E HA -0.286 4.060 4.350 -0.007 0.000 0.265 445 E C 0.457 176.979 176.600 -0.130 0.000 1.081 445 E CA 0.276 56.614 56.400 -0.102 0.000 0.781 445 E CB -1.779 27.881 29.700 -0.067 0.000 1.372 445 E HN 0.999 nan 8.360 nan 0.000 0.423 446 G N 0.149 108.843 108.800 -0.175 0.000 2.155 446 G HA2 -0.419 3.537 3.960 -0.007 0.000 0.257 446 G HA3 -0.419 3.537 3.960 -0.007 0.000 0.257 446 G C 0.721 175.563 174.900 -0.097 0.000 0.983 446 G CA 0.896 45.892 45.100 -0.173 0.000 0.676 446 G HN 0.384 nan 8.290 nan 0.000 0.528 447 K N 0.054 120.407 120.400 -0.078 0.000 2.362 447 K HA 0.056 4.372 4.320 -0.007 0.000 0.200 447 K C 2.651 179.221 176.600 -0.051 0.000 1.046 447 K CA 0.782 57.035 56.287 -0.057 0.000 0.952 447 K CB -0.269 32.198 32.500 -0.055 0.000 0.753 447 K HN 0.402 nan 8.250 nan 0.000 0.466 448 G N 1.455 110.238 108.800 -0.028 0.000 2.470 448 G HA2 -0.233 3.722 3.960 -0.007 0.000 0.220 448 G HA3 -0.233 3.722 3.960 -0.007 0.000 0.220 448 G C 0.807 175.733 174.900 0.043 0.000 1.121 448 G CA 0.744 45.864 45.100 0.034 0.000 0.766 448 G HN 0.218 nan 8.290 nan 0.000 0.553 449 D N 0.430 120.832 120.400 0.004 0.000 2.264 449 D HA -0.031 4.605 4.640 -0.007 0.000 0.208 449 D C 2.455 178.753 176.300 -0.002 0.000 0.966 449 D CA 0.269 54.268 54.000 -0.001 0.000 0.864 449 D CB -0.105 40.679 40.800 -0.027 0.000 0.933 449 D HN 0.333 nan 8.370 nan 0.000 0.499 450 L N 0.311 121.527 121.223 -0.011 0.000 2.362 450 L HA -0.029 4.307 4.340 -0.007 0.000 0.219 450 L C 0.433 177.297 176.870 -0.009 0.000 1.134 450 L CA 0.507 55.339 54.840 -0.013 0.000 0.807 450 L CB -0.502 41.547 42.059 -0.018 0.000 0.927 450 L HN 0.016 nan 8.230 nan 0.000 0.447 451 E N -0.460 119.741 120.200 0.002 0.000 2.586 451 E HA -0.285 4.061 4.350 -0.007 0.000 0.259 451 E C 0.771 177.361 176.600 -0.016 0.000 1.107 451 E CA 0.589 56.996 56.400 0.012 0.000 0.754 451 E CB -1.191 28.519 29.700 0.017 0.000 1.335 451 E HN 0.613 nan 8.360 nan 0.000 0.411 452 E N -0.985 119.196 120.200 -0.033 0.000 2.285 452 E HA -0.058 4.288 4.350 -0.007 0.000 0.194 452 E C 0.412 176.858 176.600 -0.257 0.000 0.997 452 E CA 0.770 57.098 56.400 -0.120 0.000 0.845 452 E CB 0.220 29.851 29.700 -0.114 0.000 0.782 452 E HN 0.332 nan 8.360 nan 0.000 0.491 453 Y N -0.491 119.712 120.300 -0.162 0.000 2.679 453 Y HA 0.451 4.997 4.550 -0.007 0.000 0.331 453 Y C 1.320 177.207 175.900 -0.023 0.000 1.183 453 Y CA -0.834 57.187 58.100 -0.131 0.000 1.290 453 Y CB 0.320 38.603 38.460 -0.294 0.000 1.489 453 Y HN -0.150 nan 8.280 nan 0.000 0.583 454 G N -0.477 108.487 108.800 0.273 0.000 2.468 454 G HA2 0.156 4.112 3.960 -0.007 0.000 0.264 454 G HA3 0.156 4.112 3.960 -0.007 0.000 0.264 454 G C -0.576 174.493 174.900 0.282 0.000 1.460 454 G CA -0.503 44.724 45.100 0.213 0.000 1.060 454 G HN 0.353 nan 8.290 nan 0.000 0.543 455 Q N -0.009 119.891 119.800 0.167 0.000 2.368 455 Q HA 0.134 4.469 4.340 -0.007 0.000 0.237 455 Q C -0.383 175.614 176.000 -0.005 0.000 0.987 455 Q CA -0.456 55.409 55.803 0.103 0.000 0.896 455 Q CB 1.085 29.842 28.738 0.031 0.000 1.241 455 Q HN 0.558 nan 8.270 nan 0.000 0.485 456 D N 1.025 121.356 120.400 -0.116 0.000 2.472 456 D HA -0.048 4.588 4.640 -0.007 0.000 0.248 456 D C 0.664 176.807 176.300 -0.261 0.000 1.174 456 D CA 0.365 54.162 54.000 -0.339 0.000 0.883 456 D CB 0.523 41.206 40.800 -0.196 0.000 1.149 456 D HN 0.417 nan 8.370 nan 0.000 0.488 457 L N 3.027 124.096 121.223 -0.256 0.000 2.478 457 L HA 0.007 4.343 4.340 -0.007 0.000 0.223 457 L C 0.660 177.417 176.870 -0.189 0.000 1.140 457 L CA -0.202 54.553 54.840 -0.142 0.000 0.842 457 L CB -0.199 41.892 42.059 0.053 0.000 0.953 457 L HN 0.320 nan 8.230 nan 0.000 0.452 458 L N 0.155 121.273 121.223 -0.175 0.000 2.416 458 L HA 0.096 4.432 4.340 -0.007 0.000 0.272 458 L C 0.335 177.106 176.870 -0.166 0.000 1.161 458 L CA 0.603 55.384 54.840 -0.100 0.000 0.845 458 L CB 0.065 42.094 42.059 -0.050 0.000 1.119 458 L HN 0.037 nan 8.230 nan 0.000 0.464 459 H N 1.354 120.432 119.070 0.013 0.000 2.492 459 H HA 0.265 4.816 4.556 -0.007 0.000 0.345 459 H C -0.393 174.974 175.328 0.065 0.000 1.136 459 H CA -0.818 55.257 56.048 0.046 0.000 1.202 459 H CB 1.330 31.139 29.762 0.079 0.000 1.524 459 H HN 0.448 nan 8.280 nan 0.000 0.506 460 T N 2.703 117.355 114.554 0.165 0.000 2.784 460 T HA 0.041 4.387 4.350 -0.007 0.000 0.291 460 T C 1.655 176.440 174.700 0.141 0.000 0.942 460 T CA -0.151 62.030 62.100 0.134 0.000 1.161 460 T CB 0.064 68.985 68.868 0.089 0.000 0.885 460 T HN 0.532 nan 8.240 nan 0.000 0.534 461 V N 1.375 121.386 119.914 0.162 0.000 3.523 461 V HA 0.543 4.659 4.120 -0.007 0.000 0.255 461 V C 0.050 176.258 176.094 0.190 0.000 1.226 461 V CA -0.003 62.391 62.300 0.155 0.000 1.092 461 V CB -0.299 31.634 31.823 0.183 0.000 0.817 461 V HN 0.635 nan 8.190 nan 0.000 0.458 462 F N 1.176 121.142 119.950 0.026 0.000 2.574 462 F HA 0.746 5.270 4.527 -0.006 0.000 0.313 462 F C -0.747 175.065 175.800 0.019 0.000 1.130 462 F CA -0.824 57.183 58.000 0.012 0.000 0.936 462 F CB 1.766 40.766 39.000 0.000 0.000 1.219 462 F HN -0.052 nan 8.300 nan 0.000 0.445 463 K N 5.037 125.167 120.400 -0.450 0.000 2.588 463 K HA 0.289 4.605 4.320 -0.007 0.000 0.250 463 K C -0.845 175.503 176.600 -0.421 0.000 0.972 463 K CA -0.556 55.569 56.287 -0.270 0.000 0.821 463 K CB 0.958 33.395 32.500 -0.104 0.000 1.249 463 K HN 0.765 nan 8.250 nan 0.000 0.442 464 N N 2.698 121.230 118.700 -0.281 0.000 2.725 464 N HA -0.216 4.520 4.740 -0.007 0.000 0.251 464 N C 0.459 175.852 175.510 -0.195 0.000 1.031 464 N CA 1.672 54.601 53.050 -0.202 0.000 0.720 464 N CB -1.150 37.254 38.487 -0.138 0.000 0.930 464 N HN 1.124 nan 8.380 nan 0.000 0.543 465 G N -1.511 107.070 108.800 -0.367 0.000 2.176 465 G HA2 -0.334 3.621 3.960 -0.007 0.000 0.253 465 G HA3 -0.334 3.621 3.960 -0.007 0.000 0.253 465 G C -0.033 174.695 174.900 -0.286 0.000 0.979 465 G CA 0.769 45.796 45.100 -0.121 0.000 0.641 465 G HN 0.522 nan 8.290 nan 0.000 0.530 466 K N 0.231 120.284 120.400 -0.578 0.000 2.270 466 K HA 0.619 4.935 4.320 -0.007 0.000 0.255 466 K C -0.011 176.329 176.600 -0.433 0.000 0.936 466 K CA -0.913 55.166 56.287 -0.347 0.000 0.809 466 K CB 2.923 35.307 32.500 -0.194 0.000 1.131 466 K HN 0.008 nan 8.250 nan 0.000 0.427 467 V N 2.929 122.757 119.914 -0.144 0.000 2.470 467 V HA -0.010 4.106 4.120 -0.007 0.000 0.276 467 V C 1.289 177.348 176.094 -0.058 0.000 1.040 467 V CA 0.282 62.569 62.300 -0.022 0.000 1.008 467 V CB 0.674 32.520 31.823 0.038 0.000 0.990 467 V HN 1.041 nan 8.190 nan 0.000 0.477 468 T N 1.251 115.780 114.554 -0.041 0.000 3.014 468 T HA 0.246 4.591 4.350 -0.007 0.000 0.250 468 T C 0.401 175.075 174.700 -0.043 0.000 1.060 468 T CA -0.113 61.960 62.100 -0.045 0.000 1.040 468 T CB 0.247 69.094 68.868 -0.035 0.000 0.971 468 T HN 0.478 nan 8.240 nan 0.000 0.497 469 K N 0.623 120.993 120.400 -0.049 0.000 2.535 469 K HA 0.603 4.919 4.320 -0.007 0.000 0.251 469 K C -1.687 174.786 176.600 -0.211 0.000 0.942 469 K CA -0.407 55.792 56.287 -0.147 0.000 0.798 469 K CB 2.190 34.614 32.500 -0.127 0.000 1.267 469 K HN 0.060 nan 8.250 nan 0.000 0.434 470 S N 1.831 117.314 115.700 -0.363 0.000 2.599 470 S HA 0.616 5.082 4.470 -0.007 0.000 0.287 470 S C -1.708 172.568 174.600 -0.541 0.000 1.105 470 S CA -0.633 57.393 58.200 -0.290 0.000 0.899 470 S CB 0.796 63.922 63.200 -0.123 0.000 1.100 470 S HN 0.451 nan 8.310 nan 0.000 0.482 471 Y N 0.877 121.239 120.300 0.103 0.000 2.442 471 Y HA 0.492 5.037 4.550 -0.007 0.000 0.344 471 Y C 0.609 176.654 175.900 0.242 0.000 0.976 471 Y CA -0.898 57.289 58.100 0.145 0.000 1.040 471 Y CB 1.608 40.162 38.460 0.156 0.000 1.228 471 Y HN 0.717 nan 8.280 nan 0.000 0.451 472 S N 1.407 117.302 115.700 0.325 0.000 2.614 472 S HA 0.154 4.619 4.470 -0.007 0.000 0.265 472 S C 0.615 175.427 174.600 0.354 0.000 1.303 472 S CA -0.444 57.945 58.200 0.315 0.000 1.000 472 S CB 0.513 63.833 63.200 0.200 0.000 0.935 472 S HN 0.663 nan 8.310 nan 0.000 0.551 473 F N 1.116 121.186 119.950 0.199 0.000 2.293 473 F HA -0.016 4.506 4.527 -0.008 0.000 0.300 473 F C 1.711 177.516 175.800 0.008 0.000 1.086 473 F CA 1.443 59.478 58.000 0.059 0.000 1.375 473 F CB -0.328 38.687 39.000 0.025 0.000 1.045 473 F HN 0.629 nan 8.300 nan 0.000 0.516 474 D N 0.037 120.510 120.400 0.122 0.000 2.097 474 D HA -0.154 4.482 4.640 -0.007 0.000 0.197 474 D C 2.157 178.443 176.300 -0.024 0.000 0.984 474 D CA 1.142 55.161 54.000 0.031 0.000 0.826 474 D CB -0.307 40.538 40.800 0.075 0.000 0.973 474 D HN 0.297 nan 8.370 nan 0.000 0.460 475 E N 0.528 120.752 120.200 0.040 0.000 2.106 475 E HA -0.082 4.264 4.350 -0.007 0.000 0.192 475 E C 2.490 179.080 176.600 -0.016 0.000 0.984 475 E CA 0.215 56.649 56.400 0.057 0.000 0.806 475 E CB -0.175 29.626 29.700 0.169 0.000 0.750 475 E HN 0.392 nan 8.360 nan 0.000 0.458 476 I N 0.681 121.194 120.570 -0.095 0.000 2.179 476 I HA -0.285 3.881 4.170 -0.007 0.000 0.242 476 I C 2.600 178.512 176.117 -0.342 0.000 1.088 476 I CA 1.131 62.294 61.300 -0.228 0.000 1.357 476 I CB -0.191 37.593 38.000 -0.361 0.000 1.051 476 I HN -0.002 nan 8.210 nan 0.000 0.409 477 R N 0.518 120.743 120.500 -0.458 0.000 2.091 477 R HA -0.181 4.155 4.340 -0.007 0.000 0.238 477 R C 2.296 178.454 176.300 -0.236 0.000 1.136 477 R CA 1.231 57.089 56.100 -0.403 0.000 0.959 477 R CB -0.218 29.854 30.300 -0.380 0.000 0.856 477 R HN 0.127 nan 8.270 nan 0.000 0.437 478 K N 0.523 120.829 120.400 -0.157 0.000 2.057 478 K HA -0.069 4.247 4.320 -0.007 0.000 0.207 478 K C 1.645 178.189 176.600 -0.093 0.000 1.049 478 K CA 1.299 57.528 56.287 -0.097 0.000 0.931 478 K CB -0.447 32.027 32.500 -0.044 0.000 0.714 478 K HN 0.125 nan 8.250 nan 0.000 0.440 479 N N 0.391 119.046 118.700 -0.075 0.000 2.223 479 N HA -0.102 4.634 4.740 -0.007 0.000 0.185 479 N C 1.146 176.585 175.510 -0.119 0.000 1.016 479 N CA 1.337 54.346 53.050 -0.070 0.000 0.863 479 N CB -0.146 38.385 38.487 0.073 0.000 0.983 479 N HN 0.195 nan 8.380 nan 0.000 0.429 480 A N 0.535 123.271 122.820 -0.141 0.000 2.307 480 A HA 0.087 4.403 4.320 -0.007 0.000 0.218 480 A C 0.747 178.234 177.584 -0.161 0.000 1.228 480 A CA -0.211 51.736 52.037 -0.151 0.000 0.857 480 A CB -0.097 18.784 19.000 -0.199 0.000 0.897 480 A HN 0.238 nan 8.150 nan 0.000 0.495 481 Q N -0.095 119.613 119.800 -0.154 0.000 2.479 481 Q HA 0.257 4.593 4.340 -0.007 0.000 0.267 481 Q C -0.425 175.501 176.000 -0.123 0.000 1.071 481 Q CA 0.186 55.901 55.803 -0.147 0.000 0.935 481 Q CB 0.534 29.198 28.738 -0.123 0.000 1.295 481 Q HN 0.505 nan 8.270 nan 0.000 0.476 482 L N 1.872 123.022 121.223 -0.121 0.000 2.436 482 L HA 0.143 4.479 4.340 -0.007 0.000 0.265 482 L C 0.678 177.504 176.870 -0.073 0.000 1.168 482 L CA -0.711 54.074 54.840 -0.092 0.000 0.815 482 L CB 0.225 42.228 42.059 -0.093 0.000 1.109 482 L HN 0.624 nan 8.230 nan 0.000 0.462 483 N N 0.000 118.666 118.700 -0.056 0.000 1.763 483 N HA 0.000 4.736 4.740 -0.007 0.000 0.220 483 N CA 0.000 53.022 53.050 -0.046 0.000 0.885 483 N CB 0.000 38.466 38.487 -0.035 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667