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 3dkl_1_A DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKDVYK EHFQDDVFNE KGWNYILEKY DATA SEQUENCE DGHLPIEIKA VPEGFVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGLALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTQAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLEIL GKKFPVTENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKMWSIENI AFGSGGGLLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGINVFKDPV ADPNKRSKKG RLSLHRTPAG NFVTLEEGKG DLEEYGQDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEIRK NAQLNI 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.807 175.800 0.012 0.000 0.967 9 F CA 0.000 58.025 58.000 0.042 0.000 1.383 9 F CB 0.000 39.086 39.000 0.143 0.000 1.145 10 N N 6.437 124.670 118.700 -0.778 0.000 2.531 10 N HA 0.264 6.145 4.740 1.902 0.000 0.268 10 N C 0.378 175.379 175.510 -0.848 0.000 1.023 10 N CA -0.447 52.242 53.050 -0.601 0.000 0.896 10 N CB 1.311 39.572 38.487 -0.377 0.000 1.233 10 N HN 0.892 nan 8.380 nan 0.000 0.512 11 I N 2.935 123.159 120.570 -0.576 0.000 2.530 11 I HA -0.199 5.113 4.170 1.902 0.000 0.257 11 I C 0.996 177.100 176.117 -0.022 0.000 1.179 11 I CA 1.017 62.182 61.300 -0.226 0.000 1.440 11 I CB 0.304 38.404 38.000 0.167 0.000 1.087 11 I HN 0.509 nan 8.210 nan 0.000 0.440 12 L N -0.138 120.931 121.223 -0.256 0.000 2.376 12 L HA -0.062 5.419 4.340 1.902 0.000 0.219 12 L C 1.551 178.570 176.870 0.248 0.000 1.133 12 L CA 1.336 56.103 54.840 -0.121 0.000 0.816 12 L CB -0.356 41.392 42.059 -0.518 0.000 0.933 12 L HN 0.229 nan 8.230 nan 0.000 0.449 13 L N -1.134 120.058 121.223 -0.052 0.000 2.910 13 L HA 0.343 5.825 4.340 1.902 0.000 0.252 13 L C 0.884 177.697 176.870 -0.096 0.000 1.195 13 L CA -0.141 54.648 54.840 -0.085 0.000 1.003 13 L CB 0.069 41.955 42.059 -0.290 0.000 1.328 13 L HN 0.085 nan 8.230 nan 0.000 0.540 14 A N -0.267 122.526 122.820 -0.044 0.000 3.041 14 A HA 0.518 5.979 4.320 1.902 0.000 0.307 14 A C 0.119 177.715 177.584 0.021 0.000 1.116 14 A CA -0.075 51.944 52.037 -0.032 0.000 1.001 14 A CB 0.239 19.215 19.000 -0.039 0.000 1.112 14 A HN 0.122 nan 8.150 nan 0.000 0.556 15 T N -0.650 113.869 114.554 -0.059 0.000 2.883 15 T HA 0.348 5.840 4.350 1.902 0.000 0.296 15 T C -1.335 173.293 174.700 -0.119 0.000 1.117 15 T CA -0.603 61.372 62.100 -0.209 0.000 1.006 15 T CB 1.020 69.436 68.868 -0.752 0.000 1.191 15 T HN 0.324 nan 8.240 nan 0.000 0.508 16 D N 2.383 122.748 120.400 -0.058 0.000 2.493 16 D HA 0.057 5.838 4.640 1.902 0.000 0.240 16 D C 1.195 177.543 176.300 0.081 0.000 1.142 16 D CA 0.325 54.367 54.000 0.070 0.000 0.872 16 D CB 1.225 42.185 40.800 0.267 0.000 1.173 16 D HN 0.512 nan 8.370 nan 0.000 0.467 17 S N 2.051 117.832 115.700 0.136 0.000 2.380 17 S HA -0.273 5.339 4.470 1.902 0.000 0.229 17 S C 1.855 176.654 174.600 0.333 0.000 1.043 17 S CA 1.477 59.815 58.200 0.229 0.000 1.038 17 S CB -0.548 62.782 63.200 0.217 0.000 0.872 17 S HN 0.734 nan 8.310 nan 0.000 0.456 18 Y N 1.210 121.527 120.300 0.029 0.000 2.333 18 Y HA -0.018 5.674 4.550 1.902 0.000 0.290 18 Y C 1.917 177.510 175.900 -0.510 0.000 1.144 18 Y CA 0.917 58.992 58.100 -0.040 0.000 1.228 18 Y CB -0.427 38.071 38.460 0.064 0.000 0.985 18 Y HN 0.087 nan 8.280 nan 0.000 0.542 19 K N 0.820 120.820 120.400 -0.668 0.000 2.280 19 K HA -0.077 5.385 4.320 1.902 0.000 0.202 19 K C 1.833 178.116 176.600 -0.527 0.000 1.047 19 K CA 1.185 56.858 56.287 -1.022 0.000 0.942 19 K CB -0.113 32.025 32.500 -0.603 0.000 0.739 19 K HN 0.254 nan 8.250 nan 0.000 0.457 20 V N 1.265 120.949 119.914 -0.383 0.000 2.594 20 V HA -0.206 5.056 4.120 1.902 0.000 0.253 20 V C 2.218 178.331 176.094 0.032 0.000 1.069 20 V CA 2.202 64.433 62.300 -0.115 0.000 1.082 20 V CB -0.704 30.948 31.823 -0.287 0.000 0.680 20 V HN 0.540 nan 8.190 nan 0.000 0.469 21 T N -4.130 110.343 114.554 -0.134 0.000 3.086 21 T HA 0.029 5.520 4.350 1.902 0.000 0.250 21 T C 1.380 176.102 174.700 0.037 0.000 1.074 21 T CA 0.333 62.387 62.100 -0.077 0.000 0.988 21 T CB -0.484 68.287 68.868 -0.163 0.000 0.988 21 T HN 0.615 nan 8.240 nan 0.000 0.530 22 H N 0.104 119.205 119.070 0.053 0.000 2.495 22 H HA 0.038 5.735 4.556 1.902 0.000 0.287 22 H C 1.925 177.353 175.328 0.168 0.000 1.033 22 H CA 1.276 57.319 56.048 -0.009 0.000 1.307 22 H CB -0.163 29.590 29.762 -0.015 0.000 1.401 22 H HN 0.712 nan 8.280 nan 0.000 0.555 23 Y N 1.229 121.709 120.300 0.300 0.000 2.333 23 Y HA -0.078 5.614 4.550 1.902 0.000 0.290 23 Y C 1.520 177.592 175.900 0.287 0.000 1.144 23 Y CA 0.637 58.936 58.100 0.332 0.000 1.228 23 Y CB -0.185 38.230 38.460 -0.075 0.000 0.985 23 Y HN -0.114 nan 8.280 nan 0.000 0.542 24 K N 0.262 120.320 120.400 -0.570 0.000 2.487 24 K HA 0.031 5.492 4.320 1.902 0.000 0.192 24 K C 1.340 177.838 176.600 -0.170 0.000 1.027 24 K CA 0.631 56.660 56.287 -0.430 0.000 1.054 24 K CB 0.067 32.222 32.500 -0.576 0.000 0.824 24 K HN 0.579 nan 8.250 nan 0.000 0.510 25 Q N -0.970 118.766 119.800 -0.105 0.000 2.391 25 Q HA 0.102 5.584 4.340 1.902 0.000 0.243 25 Q C -0.198 175.717 176.000 -0.142 0.000 0.874 25 Q CA -0.108 55.599 55.803 -0.159 0.000 0.950 25 Q CB 0.364 28.945 28.738 -0.262 0.000 1.103 25 Q HN 0.217 nan 8.270 nan 0.000 0.544 26 Y N 2.420 122.745 120.300 0.041 0.000 2.511 26 Y HA 0.008 5.699 4.550 1.902 0.000 0.347 26 Y C -1.759 174.115 175.900 -0.044 0.000 1.257 26 Y CA -1.660 56.460 58.100 0.033 0.000 1.469 26 Y CB -0.165 38.388 38.460 0.155 0.000 1.353 26 Y HN 0.058 nan 8.280 nan 0.000 0.617 27 P HA 0.038 nan 4.420 nan 0.000 0.265 27 P C -2.513 174.755 177.300 -0.052 0.000 1.193 27 P CA -0.912 62.191 63.100 0.005 0.000 0.765 27 P CB -0.001 31.693 31.700 -0.010 0.000 0.823 28 P HA -0.042 nan 4.420 nan 0.000 0.267 28 P C -0.191 177.039 177.300 -0.118 0.000 1.201 28 P CA 0.516 63.563 63.100 -0.089 0.000 0.775 28 P CB -0.085 31.581 31.700 -0.057 0.000 0.854 29 N N -2.278 116.333 118.700 -0.148 0.000 2.818 29 N HA -0.127 5.754 4.740 1.902 0.000 0.250 29 N C -0.889 174.517 175.510 -0.173 0.000 1.108 29 N CA 0.619 53.588 53.050 -0.135 0.000 0.745 29 N CB -2.063 36.373 38.487 -0.084 0.000 1.104 29 N HN 0.341 nan 8.380 nan 0.000 0.557 30 T N -0.220 114.156 114.554 -0.296 0.000 2.743 30 T HA 0.371 5.863 4.350 1.902 0.000 0.293 30 T C 1.254 175.779 174.700 -0.292 0.000 0.945 30 T CA -0.032 61.881 62.100 -0.311 0.000 1.030 30 T CB 1.295 69.943 68.868 -0.365 0.000 0.912 30 T HN 0.327 nan 8.240 nan 0.000 0.483 31 S N 2.295 117.920 115.700 -0.125 0.000 2.512 31 S HA 0.266 5.878 4.470 1.902 0.000 0.216 31 S C 0.408 175.027 174.600 0.031 0.000 1.006 31 S CA -0.397 57.788 58.200 -0.026 0.000 0.915 31 S CB 0.111 63.301 63.200 -0.017 0.000 0.824 31 S HN 0.531 nan 8.310 nan 0.000 0.497 32 K N 0.708 121.111 120.400 0.004 0.000 2.535 32 K HA 0.616 6.078 4.320 1.902 0.000 0.251 32 K C -2.102 174.513 176.600 0.025 0.000 0.942 32 K CA -0.492 55.820 56.287 0.043 0.000 0.798 32 K CB 2.279 34.818 32.500 0.066 0.000 1.267 32 K HN 0.003 nan 8.250 nan 0.000 0.434 33 V N 5.071 125.023 119.914 0.063 0.000 2.483 33 V HA 0.438 5.699 4.120 1.902 0.000 0.297 33 V C -1.490 174.724 176.094 0.199 0.000 1.027 33 V CA -0.747 61.598 62.300 0.074 0.000 0.855 33 V CB 1.320 33.112 31.823 -0.052 0.000 0.995 33 V HN 0.778 nan 8.190 nan 0.000 0.424 34 Y N 3.591 123.963 120.300 0.119 0.000 2.350 34 Y HA 0.752 6.444 4.550 1.902 0.000 0.338 34 Y C -0.020 175.948 175.900 0.113 0.000 0.961 34 Y CA -0.010 58.179 58.100 0.148 0.000 1.100 34 Y CB 2.019 40.632 38.460 0.256 0.000 1.179 34 Y HN 0.632 nan 8.280 nan 0.000 0.454 35 S N 4.954 120.484 115.700 -0.284 0.000 2.595 35 S HA 0.601 6.212 4.470 1.902 0.000 0.281 35 S C -1.854 172.391 174.600 -0.591 0.000 1.117 35 S CA -0.710 57.271 58.200 -0.366 0.000 0.873 35 S CB 1.714 64.624 63.200 -0.484 0.000 1.108 35 S HN 0.697 nan 8.310 nan 0.000 0.477 36 Y N -0.331 119.490 120.300 -0.799 0.000 2.615 36 Y HA 0.823 6.514 4.550 1.902 0.000 0.341 36 Y C -1.754 173.776 175.900 -0.617 0.000 1.089 36 Y CA -1.510 56.213 58.100 -0.629 0.000 1.049 36 Y CB 0.952 39.208 38.460 -0.341 0.000 1.296 36 Y HN 0.592 nan 8.280 nan 0.000 0.470 37 F N 2.841 122.284 119.950 -0.845 0.000 2.495 37 F HA 0.614 6.282 4.527 1.901 0.000 0.327 37 F C -0.823 174.749 175.800 -0.379 0.000 1.103 37 F CA -0.356 57.209 58.000 -0.726 0.000 0.949 37 F CB 1.399 39.725 39.000 -1.124 0.000 1.142 37 F HN 0.786 nan 8.300 nan 0.000 0.457 38 E N 3.484 123.287 120.200 -0.662 0.000 2.416 38 E HA 0.468 5.959 4.350 1.902 0.000 0.273 38 E C -1.741 174.560 176.600 -0.498 0.000 0.935 38 E CA -1.183 55.037 56.400 -0.300 0.000 0.784 38 E CB 1.535 31.231 29.700 -0.008 0.000 1.301 38 E HN 0.514 nan 8.360 nan 0.000 0.454 39 C N 2.171 121.381 119.300 -0.151 0.000 2.135 39 C HA 0.362 5.964 4.460 1.902 0.000 0.345 39 C C 0.509 175.467 174.990 -0.055 0.000 1.067 39 C CA -0.486 58.481 59.018 -0.086 0.000 1.517 39 C CB -1.685 26.095 27.740 0.067 0.000 1.923 39 C HN 0.605 nan 8.230 nan 0.000 0.466 40 R N 2.168 122.609 120.500 -0.097 0.000 2.623 40 R HA 0.088 5.569 4.340 1.902 0.000 0.271 40 R C 0.662 176.955 176.300 -0.011 0.000 1.043 40 R CA 0.257 56.328 56.100 -0.049 0.000 1.083 40 R CB 0.560 30.819 30.300 -0.069 0.000 0.974 40 R HN 0.703 nan 8.270 nan 0.000 0.436 55 E N 0.086 120.362 120.200 0.127 0.000 2.478 55 E HA 0.044 5.536 4.350 1.902 0.000 0.194 55 E C -0.046 176.610 176.600 0.093 0.000 1.045 55 E CA 0.356 56.816 56.400 0.099 0.000 0.868 55 E CB 0.527 30.265 29.700 0.063 0.000 0.885 55 E HN 0.697 nan 8.360 nan 0.000 0.505 56 E N 0.977 121.240 120.200 0.104 0.000 2.314 56 E HA 0.380 5.872 4.350 1.902 0.000 0.272 56 E C -0.887 175.775 176.600 0.103 0.000 0.884 56 E CA -1.081 55.366 56.400 0.079 0.000 0.753 56 E CB 1.736 31.467 29.700 0.053 0.000 1.213 56 E HN 0.027 nan 8.360 nan 0.000 0.432 57 T N -1.047 113.562 114.554 0.092 0.000 2.841 57 T HA 0.445 5.936 4.350 1.902 0.000 0.283 57 T C -0.173 174.604 174.700 0.127 0.000 1.000 57 T CA -0.841 61.336 62.100 0.128 0.000 0.977 57 T CB 1.303 70.272 68.868 0.169 0.000 0.979 57 T HN 0.297 nan 8.240 nan 0.000 0.446 58 V N 4.279 124.263 119.914 0.117 0.000 2.427 58 V HA 0.277 5.539 4.120 1.902 0.000 0.268 58 V C -0.036 176.169 176.094 0.185 0.000 1.046 58 V CA -0.675 61.691 62.300 0.111 0.000 0.970 58 V CB -0.445 31.396 31.823 0.029 0.000 1.001 58 V HN 0.863 nan 8.190 nan 0.000 0.476 59 F N 7.815 127.823 119.950 0.097 0.000 2.444 59 F HA 0.556 6.223 4.527 1.901 0.000 0.360 59 F C -0.596 175.284 175.800 0.134 0.000 1.106 59 F CA -0.498 57.570 58.000 0.113 0.000 1.170 59 F CB 0.202 39.261 39.000 0.099 0.000 1.113 59 F HN 0.530 nan 8.300 nan 0.000 0.521 60 Y N 4.457 124.353 120.300 -0.673 0.000 2.519 60 Y HA 0.525 6.218 4.550 1.905 0.000 0.336 60 Y C 0.062 175.647 175.900 -0.525 0.000 1.089 60 Y CA -0.753 57.031 58.100 -0.526 0.000 1.025 60 Y CB 1.925 40.200 38.460 -0.308 0.000 1.318 60 Y HN 0.739 nan 8.280 nan 0.000 0.452 61 G N 3.750 111.790 108.800 -1.266 0.000 2.284 61 G HA2 -0.253 4.848 3.960 1.902 0.000 0.201 61 G HA3 -0.253 4.848 3.960 1.902 0.000 0.201 61 G C 0.769 175.405 174.900 -0.439 0.000 0.998 61 G CA 0.136 44.669 45.100 -0.945 0.000 0.651 61 G HN 0.857 nan 8.290 nan 0.000 0.489 62 L N 0.597 121.536 121.223 -0.474 0.000 2.012 62 L HA -0.104 5.377 4.340 1.902 0.000 0.210 62 L C 2.828 179.586 176.870 -0.186 0.000 1.073 62 L CA 2.810 57.453 54.840 -0.329 0.000 0.748 62 L CB -0.291 41.599 42.059 -0.281 0.000 0.891 62 L HN 0.568 nan 8.230 nan 0.000 0.431 63 Q N -1.198 118.552 119.800 -0.083 0.000 2.135 63 Q HA -0.314 5.167 4.340 1.902 0.000 0.204 63 Q C 2.109 177.973 176.000 -0.228 0.000 0.981 63 Q CA 2.174 57.915 55.803 -0.102 0.000 0.856 63 Q CB -0.387 28.309 28.738 -0.071 0.000 0.902 63 Q HN 0.591 nan 8.270 nan 0.000 0.425 64 Y N 0.723 120.792 120.300 -0.386 0.000 2.097 64 Y HA -0.268 5.425 4.550 1.904 0.000 0.282 64 Y C 1.757 177.340 175.900 -0.528 0.000 1.152 64 Y CA 2.168 59.912 58.100 -0.593 0.000 1.136 64 Y CB -0.303 37.860 38.460 -0.496 0.000 0.975 64 Y HN 0.131 nan 8.280 nan 0.000 0.498 65 I N -0.145 120.225 120.570 -0.332 0.000 2.226 65 I HA -0.339 4.973 4.170 1.902 0.000 0.245 65 I C 2.403 178.347 176.117 -0.288 0.000 1.100 65 I CA 1.298 62.423 61.300 -0.293 0.000 1.374 65 I CB -0.547 37.386 38.000 -0.112 0.000 1.057 65 I HN 0.277 nan 8.210 nan 0.000 0.413 66 L N 0.433 121.515 121.223 -0.235 0.000 2.013 66 L HA -0.267 5.215 4.340 1.902 0.000 0.212 66 L C 2.360 179.180 176.870 -0.084 0.000 1.073 66 L CA 1.618 56.371 54.840 -0.143 0.000 0.753 66 L CB -0.885 41.161 42.059 -0.023 0.000 0.890 66 L HN 0.394 nan 8.230 nan 0.000 0.432 67 N N 0.001 118.616 118.700 -0.142 0.000 2.173 67 N HA -0.165 5.716 4.740 1.902 0.000 0.184 67 N C 1.875 177.274 175.510 -0.185 0.000 1.025 67 N CA 1.035 54.040 53.050 -0.074 0.000 0.852 67 N CB -0.030 38.493 38.487 0.060 0.000 0.998 67 N HN 0.307 nan 8.380 nan 0.000 0.427 68 K N -0.140 119.949 120.400 -0.518 0.000 2.097 68 K HA -0.109 5.353 4.320 1.902 0.000 0.205 68 K C 0.910 177.034 176.600 -0.794 0.000 1.050 68 K CA 1.355 57.136 56.287 -0.843 0.000 0.938 68 K CB 0.126 31.611 32.500 -1.692 0.000 0.718 68 K HN 0.275 nan 8.250 nan 0.000 0.442 69 Y N -1.966 118.103 120.300 -0.385 0.000 2.494 69 Y HA 0.179 5.870 4.550 1.902 0.000 0.271 69 Y C 1.433 177.277 175.900 -0.093 0.000 1.113 69 Y CA -0.455 57.414 58.100 -0.384 0.000 1.240 69 Y CB 0.799 38.931 38.460 -0.546 0.000 1.268 69 Y HN -0.127 nan 8.280 nan 0.000 0.510 70 L N 0.435 121.683 121.223 0.040 0.000 2.575 70 L HA 0.142 5.624 4.340 1.902 0.000 0.228 70 L C 0.326 177.334 176.870 0.231 0.000 1.075 70 L CA 0.070 54.937 54.840 0.046 0.000 0.867 70 L CB 0.356 42.250 42.059 -0.275 0.000 1.097 70 L HN -0.016 nan 8.230 nan 0.000 0.485 71 K N 0.357 120.901 120.400 0.241 0.000 2.098 71 K HA 0.639 6.101 4.320 1.902 0.000 0.261 71 K C 0.460 177.056 176.600 -0.006 0.000 0.987 71 K CA 0.135 56.571 56.287 0.248 0.000 0.916 71 K CB 1.338 33.944 32.500 0.176 0.000 1.039 71 K HN 0.012 nan 8.250 nan 0.000 0.455 72 G N 1.228 109.899 108.800 -0.215 0.000 2.584 72 G HA2 -0.297 4.804 3.960 1.902 0.000 0.229 72 G HA3 -0.297 4.804 3.960 1.902 0.000 0.229 72 G C -1.125 173.300 174.900 -0.790 0.000 1.320 72 G CA -0.055 44.735 45.100 -0.517 0.000 0.891 72 G HN 0.851 nan 8.290 nan 0.000 0.573 73 K N 0.515 120.660 120.400 -0.424 0.000 2.278 73 K HA 0.453 5.914 4.320 1.902 0.000 0.289 73 K C 1.431 178.016 176.600 -0.025 0.000 1.080 73 K CA 0.300 56.497 56.287 -0.150 0.000 0.934 73 K CB 0.309 32.842 32.500 0.054 0.000 1.093 73 K HN 1.250 nan 8.250 nan 0.000 0.459 74 V N 1.438 121.367 119.914 0.026 0.000 3.578 74 V HA 0.208 5.470 4.120 1.902 0.000 0.290 74 V C 0.049 176.194 176.094 0.085 0.000 1.376 74 V CA -0.349 62.005 62.300 0.090 0.000 1.083 74 V CB 0.536 32.450 31.823 0.152 0.000 0.911 74 V HN 0.235 nan 8.190 nan 0.000 0.433 75 V N 1.999 121.981 119.914 0.112 0.000 2.540 75 V HA 0.765 6.026 4.120 1.902 0.000 0.302 75 V C 0.096 176.243 176.094 0.089 0.000 1.035 75 V CA 0.425 62.789 62.300 0.107 0.000 0.873 75 V CB 1.432 33.408 31.823 0.255 0.000 0.992 75 V HN 0.629 nan 8.190 nan 0.000 0.428 76 T N 0.456 115.038 114.554 0.046 0.000 2.906 76 T HA 0.502 5.993 4.350 1.902 0.000 0.295 76 T C 0.591 175.314 174.700 0.037 0.000 1.075 76 T CA -0.744 61.382 62.100 0.043 0.000 1.005 76 T CB 2.180 71.062 68.868 0.023 0.000 1.136 76 T HN 0.294 nan 8.240 nan 0.000 0.498 77 K N 0.755 121.180 120.400 0.042 0.000 2.089 77 K HA -0.150 5.311 4.320 1.902 0.000 0.210 77 K C 1.836 178.447 176.600 0.018 0.000 1.048 77 K CA 1.936 58.246 56.287 0.040 0.000 0.926 77 K CB -0.641 31.879 32.500 0.034 0.000 0.714 77 K HN 0.752 nan 8.250 nan 0.000 0.448 78 E N 0.013 120.213 120.200 0.000 0.000 2.072 78 E HA -0.072 5.420 4.350 1.902 0.000 0.191 78 E C 1.870 178.438 176.600 -0.053 0.000 0.985 78 E CA 1.275 57.662 56.400 -0.022 0.000 0.801 78 E CB -0.025 29.661 29.700 -0.023 0.000 0.750 78 E HN 0.285 nan 8.360 nan 0.000 0.452 79 K N 0.178 120.540 120.400 -0.064 0.000 2.097 79 K HA -0.034 5.427 4.320 1.902 0.000 0.205 79 K C 2.108 178.619 176.600 -0.148 0.000 1.050 79 K CA 0.982 57.193 56.287 -0.126 0.000 0.938 79 K CB -0.148 32.270 32.500 -0.138 0.000 0.718 79 K HN 0.134 nan 8.250 nan 0.000 0.442 80 I N 0.921 121.456 120.570 -0.059 0.000 2.142 80 I HA -0.301 5.010 4.170 1.902 0.000 0.240 80 I C 2.666 178.790 176.117 0.012 0.000 1.078 80 I CA 1.148 62.473 61.300 0.041 0.000 1.343 80 I CB -0.293 37.803 38.000 0.160 0.000 1.046 80 I HN 0.143 nan 8.210 nan 0.000 0.405 81 Q N 1.242 121.041 119.800 -0.001 0.000 2.061 81 Q HA -0.287 5.195 4.340 1.902 0.000 0.204 81 Q C 1.978 177.913 176.000 -0.109 0.000 0.984 81 Q CA 2.159 57.948 55.803 -0.024 0.000 0.846 81 Q CB -0.245 28.486 28.738 -0.012 0.000 0.902 81 Q HN 0.407 nan 8.270 nan 0.000 0.421 82 E N -0.540 119.572 120.200 -0.147 0.000 2.077 82 E HA -0.109 5.382 4.350 1.902 0.000 0.193 82 E C 1.699 178.098 176.600 -0.335 0.000 0.989 82 E CA 1.520 57.798 56.400 -0.203 0.000 0.800 82 E CB -0.582 29.008 29.700 -0.184 0.000 0.746 82 E HN 0.386 nan 8.360 nan 0.000 0.452 83 A N 1.044 123.599 122.820 -0.441 0.000 1.877 83 A HA -0.241 5.221 4.320 1.902 0.000 0.216 83 A C 2.199 179.297 177.584 -0.811 0.000 1.186 83 A CA 2.018 53.613 52.037 -0.737 0.000 0.620 83 A CB -0.697 17.853 19.000 -0.751 0.000 0.822 83 A HN 0.302 nan 8.150 nan 0.000 0.443 84 K N -0.458 119.545 120.400 -0.661 0.000 2.044 84 K HA -0.247 5.215 4.320 1.902 0.000 0.210 84 K C 1.401 177.933 176.600 -0.112 0.000 1.049 84 K CA 2.009 58.132 56.287 -0.273 0.000 0.927 84 K CB -0.256 32.287 32.500 0.072 0.000 0.713 84 K HN 0.417 nan 8.250 nan 0.000 0.443 85 D N 0.092 120.408 120.400 -0.140 0.000 2.117 85 D HA -0.129 5.653 4.640 1.902 0.000 0.198 85 D C 2.015 178.250 176.300 -0.110 0.000 0.982 85 D CA 1.066 55.013 54.000 -0.088 0.000 0.828 85 D CB -0.255 40.491 40.800 -0.090 0.000 0.967 85 D HN 0.068 nan 8.370 nan 0.000 0.464 86 V N 0.417 120.184 119.914 -0.245 0.000 2.295 86 V HA -0.261 5.000 4.120 1.902 0.000 0.246 86 V C 2.115 178.118 176.094 -0.151 0.000 1.049 86 V CA 1.493 63.614 62.300 -0.298 0.000 1.024 86 V CB -0.772 30.729 31.823 -0.536 0.000 0.648 86 V HN 0.269 nan 8.190 nan 0.000 0.447 87 Y N 0.038 120.342 120.300 0.007 0.000 2.373 87 Y HA -0.164 5.527 4.550 1.902 0.000 0.293 87 Y C 2.597 178.680 175.900 0.305 0.000 1.129 87 Y CA 1.432 59.677 58.100 0.241 0.000 1.226 87 Y CB -0.094 38.536 38.460 0.284 0.000 1.000 87 Y HN 0.160 nan 8.280 nan 0.000 0.549 88 K N 0.563 121.145 120.400 0.302 0.000 2.057 88 K HA -0.199 5.262 4.320 1.902 0.000 0.207 88 K C 1.656 178.371 176.600 0.192 0.000 1.049 88 K CA 1.633 58.058 56.287 0.230 0.000 0.931 88 K CB 0.081 32.665 32.500 0.140 0.000 0.714 88 K HN 0.227 nan 8.250 nan 0.000 0.440 89 E N -0.433 119.851 120.200 0.139 0.000 2.112 89 E HA -0.162 5.330 4.350 1.902 0.000 0.190 89 E C 1.973 178.645 176.600 0.121 0.000 0.979 89 E CA 0.996 57.455 56.400 0.098 0.000 0.814 89 E CB -0.336 29.390 29.700 0.044 0.000 0.762 89 E HN 0.459 nan 8.360 nan 0.000 0.460 90 H N -0.293 118.792 119.070 0.026 0.000 2.357 90 H HA -0.023 5.674 4.556 1.902 0.000 0.301 90 H C 1.484 176.713 175.328 -0.165 0.000 1.082 90 H CA 1.440 57.434 56.048 -0.091 0.000 1.342 90 H CB -0.238 29.458 29.762 -0.111 0.000 1.389 90 H HN 0.049 nan 8.280 nan 0.000 0.511 91 F N -0.001 119.994 119.950 0.073 0.000 2.698 91 F HA 0.075 5.744 4.527 1.902 0.000 0.295 91 F C 0.738 176.547 175.800 0.015 0.000 1.124 91 F CA 0.304 58.303 58.000 -0.002 0.000 1.426 91 F CB 0.442 39.482 39.000 0.067 0.000 1.120 91 F HN 0.032 nan 8.300 nan 0.000 0.583 92 Q N 1.435 121.350 119.800 0.191 0.000 2.478 92 Q HA -0.246 5.235 4.340 1.902 0.000 0.286 92 Q C -0.921 175.162 176.000 0.138 0.000 1.299 92 Q CA 1.290 57.168 55.803 0.125 0.000 0.826 92 Q CB -1.831 26.951 28.738 0.073 0.000 1.199 92 Q HN 0.593 nan 8.270 nan 0.000 0.451 93 D N -1.049 119.460 120.400 0.181 0.000 2.884 93 D HA 0.060 5.841 4.640 1.902 0.000 0.255 93 D C -0.971 175.426 176.300 0.161 0.000 1.142 93 D CA -0.433 53.654 54.000 0.145 0.000 0.726 93 D CB 0.713 41.588 40.800 0.124 0.000 1.436 93 D HN -0.179 nan 8.370 nan 0.000 0.441 94 D N 1.422 121.891 120.400 0.115 0.000 2.325 94 D HA 0.067 5.849 4.640 1.902 0.000 0.234 94 D C 2.062 178.439 176.300 0.127 0.000 1.122 94 D CA 0.286 54.367 54.000 0.135 0.000 0.850 94 D CB 0.341 41.207 40.800 0.110 0.000 0.921 94 D HN 0.214 nan 8.370 nan 0.000 0.513 95 V N 0.217 120.155 119.914 0.039 0.000 2.660 95 V HA -0.218 5.044 4.120 1.902 0.000 0.257 95 V C 1.275 177.451 176.094 0.136 0.000 1.088 95 V CA 0.483 62.774 62.300 -0.016 0.000 1.106 95 V CB -1.318 30.308 31.823 -0.329 0.000 0.686 95 V HN 0.153 nan 8.190 nan 0.000 0.481 96 F N 3.098 123.055 119.950 0.013 0.000 2.612 96 F HA 0.083 5.751 4.527 1.902 0.000 0.389 96 F C 0.916 176.669 175.800 -0.078 0.000 1.055 96 F CA -0.643 57.372 58.000 0.025 0.000 1.232 96 F CB -0.133 38.978 39.000 0.185 0.000 1.044 96 F HN 0.039 nan 8.300 nan 0.000 0.560 97 N N 5.097 123.171 118.700 -1.043 0.000 3.127 97 N HA -0.082 5.799 4.740 1.902 0.000 0.317 97 N C 1.342 176.097 175.510 -1.257 0.000 1.242 97 N CA 0.496 52.685 53.050 -1.435 0.000 1.203 97 N CB -0.538 36.647 38.487 -2.170 0.000 1.462 97 N HN 0.887 nan 8.380 nan 0.000 0.546 98 E N 1.016 120.606 120.200 -1.016 0.000 2.097 98 E HA -0.263 5.229 4.350 1.902 0.000 0.196 98 E C 1.405 177.855 176.600 -0.249 0.000 1.000 98 E CA 1.184 57.279 56.400 -0.508 0.000 0.804 98 E CB 0.159 29.807 29.700 -0.088 0.000 0.740 98 E HN 0.433 nan 8.360 nan 0.000 0.454 99 K N -0.549 119.703 120.400 -0.248 0.000 2.063 99 K HA -0.135 5.327 4.320 1.902 0.000 0.208 99 K C 2.123 178.644 176.600 -0.132 0.000 1.048 99 K CA 1.329 57.540 56.287 -0.127 0.000 0.928 99 K CB -0.370 32.067 32.500 -0.106 0.000 0.713 99 K HN 0.258 nan 8.250 nan 0.000 0.442 100 G N -0.012 108.560 108.800 -0.381 0.000 2.440 100 G HA2 -0.254 4.848 3.960 1.902 0.000 0.218 100 G HA3 -0.254 4.848 3.960 1.902 0.000 0.218 100 G C 1.110 175.929 174.900 -0.136 0.000 1.154 100 G CA 0.803 45.678 45.100 -0.374 0.000 0.767 100 G HN 0.418 nan 8.290 nan 0.000 0.552 101 W N 0.578 121.750 121.300 -0.215 0.000 2.409 101 W HA 0.067 5.868 4.660 1.902 0.000 0.299 101 W C 2.597 179.157 176.519 0.067 0.000 1.203 101 W CA 0.737 58.069 57.345 -0.022 0.000 1.298 101 W CB -0.205 29.191 29.460 -0.107 0.000 1.127 101 W HN 0.193 nan 8.180 nan 0.000 0.528 102 N N -0.862 117.983 118.700 0.242 0.000 2.149 102 N HA -0.299 5.582 4.740 1.902 0.000 0.188 102 N C 1.583 177.197 175.510 0.174 0.000 1.019 102 N CA 1.670 54.830 53.050 0.183 0.000 0.857 102 N CB -0.486 38.074 38.487 0.121 0.000 0.997 102 N HN 0.138 nan 8.380 nan 0.000 0.426 103 Y N 1.261 121.611 120.300 0.083 0.000 2.128 103 Y HA -0.172 5.520 4.550 1.902 0.000 0.284 103 Y C 1.814 177.802 175.900 0.146 0.000 1.154 103 Y CA 1.510 59.662 58.100 0.088 0.000 1.149 103 Y CB -0.232 38.276 38.460 0.081 0.000 0.976 103 Y HN 0.074 nan 8.280 nan 0.000 0.505 104 I N -0.615 120.088 120.570 0.221 0.000 2.226 104 I HA -0.289 5.023 4.170 1.902 0.000 0.245 104 I C 2.295 178.527 176.117 0.191 0.000 1.100 104 I CA 1.167 62.607 61.300 0.234 0.000 1.374 104 I CB -0.526 37.615 38.000 0.234 0.000 1.057 104 I HN 0.315 nan 8.210 nan 0.000 0.413 105 L N 0.952 122.282 121.223 0.178 0.000 2.017 105 L HA -0.205 5.276 4.340 1.902 0.000 0.208 105 L C 2.290 179.185 176.870 0.042 0.000 1.073 105 L CA 1.972 56.895 54.840 0.138 0.000 0.745 105 L CB -0.651 41.492 42.059 0.140 0.000 0.894 105 L HN 0.188 nan 8.230 nan 0.000 0.432 106 E N -1.047 119.135 120.200 -0.031 0.000 2.112 106 E HA -0.201 5.290 4.350 1.902 0.000 0.190 106 E C 2.013 178.475 176.600 -0.229 0.000 0.979 106 E CA 0.921 57.259 56.400 -0.103 0.000 0.814 106 E CB 0.094 29.740 29.700 -0.091 0.000 0.762 106 E HN 0.317 nan 8.360 nan 0.000 0.460 107 K N -0.401 119.751 120.400 -0.413 0.000 2.211 107 K HA -0.015 5.446 4.320 1.902 0.000 0.201 107 K C 0.461 176.589 176.600 -0.788 0.000 1.052 107 K CA 0.907 56.764 56.287 -0.717 0.000 0.973 107 K CB 0.302 32.106 32.500 -1.160 0.000 0.766 107 K HN 0.084 nan 8.250 nan 0.000 0.466 108 Y N 0.042 120.264 120.300 -0.130 0.000 2.682 108 Y HA 0.228 5.919 4.550 1.903 0.000 0.251 108 Y C -0.447 175.447 175.900 -0.010 0.000 1.172 108 Y CA -0.526 57.532 58.100 -0.069 0.000 1.186 108 Y CB 0.593 39.042 38.460 -0.017 0.000 1.216 108 Y HN 0.077 nan 8.280 nan 0.000 0.540 109 D N 1.209 121.656 120.400 0.077 0.000 2.708 109 D HA -0.201 5.580 4.640 1.902 0.000 0.236 109 D C 1.312 177.777 176.300 0.275 0.000 1.146 109 D CA 1.541 55.613 54.000 0.121 0.000 0.662 109 D CB -1.108 39.725 40.800 0.055 0.000 1.059 109 D HN 0.758 nan 8.370 nan 0.000 0.428 110 G N -0.449 108.509 108.800 0.263 0.000 2.155 110 G HA2 -0.350 4.751 3.960 1.902 0.000 0.257 110 G HA3 -0.350 4.751 3.960 1.902 0.000 0.257 110 G C 0.125 175.191 174.900 0.277 0.000 0.983 110 G CA 0.466 45.724 45.100 0.264 0.000 0.676 110 G HN 0.703 nan 8.290 nan 0.000 0.528 111 H N -0.414 118.752 119.070 0.159 0.000 2.548 111 H HA 0.556 6.253 4.556 1.903 0.000 0.331 111 H C 1.069 176.438 175.328 0.068 0.000 1.093 111 H CA -0.545 55.575 56.048 0.120 0.000 1.367 111 H CB 0.784 30.591 29.762 0.076 0.000 1.455 111 H HN 0.237 nan 8.280 nan 0.000 0.519 112 L N 5.797 127.130 121.223 0.183 0.000 2.418 112 L HA 0.162 5.644 4.340 1.902 0.000 0.274 112 L C -1.772 175.079 176.870 -0.032 0.000 1.135 112 L CA -1.776 53.121 54.840 0.096 0.000 0.870 112 L CB 0.345 42.525 42.059 0.203 0.000 1.154 112 L HN 0.492 nan 8.230 nan 0.000 0.462 113 P HA 0.178 nan 4.420 nan 0.000 0.241 113 P C -0.649 176.556 177.300 -0.158 0.000 1.760 113 P CA 0.279 63.156 63.100 -0.372 0.000 1.081 113 P CB -0.103 31.226 31.700 -0.619 0.000 1.975 114 I N 1.064 121.643 120.570 0.015 0.000 2.619 114 I HA 0.337 5.648 4.170 1.902 0.000 0.292 114 I C 0.119 176.369 176.117 0.222 0.000 1.100 114 I CA -0.879 60.490 61.300 0.114 0.000 1.043 114 I CB 2.869 40.964 38.000 0.157 0.000 1.239 114 I HN 0.122 nan 8.210 nan 0.000 0.420 115 E N 6.323 126.625 120.200 0.170 0.000 2.158 115 E HA 0.620 6.112 4.350 1.902 0.000 0.271 115 E C -1.431 175.287 176.600 0.196 0.000 0.911 115 E CA -0.532 55.984 56.400 0.193 0.000 0.767 115 E CB 1.717 31.493 29.700 0.127 0.000 1.120 115 E HN 0.446 nan 8.360 nan 0.000 0.405 116 I N 4.437 125.151 120.570 0.239 0.000 2.406 116 I HA 0.333 5.644 4.170 1.902 0.000 0.290 116 I C -0.367 175.850 176.117 0.167 0.000 0.999 116 I CA -0.729 60.682 61.300 0.185 0.000 1.124 116 I CB 1.606 39.679 38.000 0.123 0.000 1.289 116 I HN 0.277 nan 8.210 nan 0.000 0.441 117 K N 5.441 125.928 120.400 0.145 0.000 2.244 117 K HA 0.869 6.331 4.320 1.902 0.000 0.260 117 K C -0.929 175.736 176.600 0.108 0.000 0.951 117 K CA -0.672 55.683 56.287 0.113 0.000 0.826 117 K CB 2.546 35.091 32.500 0.076 0.000 1.108 117 K HN 0.676 nan 8.250 nan 0.000 0.433 118 A N 1.924 124.787 122.820 0.071 0.000 2.475 118 A HA 0.403 5.864 4.320 1.902 0.000 0.301 118 A C -0.900 176.610 177.584 -0.124 0.000 1.059 118 A CA -0.738 51.292 52.037 -0.011 0.000 0.710 118 A CB 1.609 20.649 19.000 0.067 0.000 1.288 118 A HN 0.489 nan 8.150 nan 0.000 0.408 119 V N 2.632 122.344 119.914 -0.336 0.000 2.763 119 V HA 0.231 5.492 4.120 1.902 0.000 0.306 119 V C -2.065 173.833 176.094 -0.326 0.000 1.059 119 V CA -1.080 60.996 62.300 -0.374 0.000 1.138 119 V CB 0.830 32.424 31.823 -0.382 0.000 0.940 119 V HN 0.796 nan 8.190 nan 0.000 0.489 120 P HA 0.055 nan 4.420 nan 0.000 0.265 120 P C -0.559 176.463 177.300 -0.464 0.000 1.187 120 P CA 0.199 62.851 63.100 -0.746 0.000 0.766 120 P CB 0.260 31.353 31.700 -1.011 0.000 0.820 121 E N 1.611 121.463 120.200 -0.580 0.000 2.384 121 E HA 0.220 5.711 4.350 1.902 0.000 0.266 121 E C 1.244 177.824 176.600 -0.034 0.000 1.012 121 E CA 0.863 57.219 56.400 -0.074 0.000 0.901 121 E CB -0.008 29.718 29.700 0.044 0.000 0.967 121 E HN 0.785 nan 8.360 nan 0.000 0.435 122 G N 3.168 112.028 108.800 0.099 0.000 2.254 122 G HA2 -0.272 4.829 3.960 1.902 0.000 0.225 122 G HA3 -0.272 4.829 3.960 1.902 0.000 0.225 122 G C 0.051 175.063 174.900 0.187 0.000 1.003 122 G CA -0.517 44.619 45.100 0.059 0.000 0.622 122 G HN 0.449 nan 8.290 nan 0.000 0.507 123 F N 1.381 121.333 119.950 0.003 0.000 2.629 123 F HA 0.399 6.069 4.527 1.904 0.000 0.377 123 F C 1.077 176.877 175.800 -0.001 0.000 1.101 123 F CA -0.138 57.865 58.000 0.006 0.000 1.301 123 F CB 1.047 40.045 39.000 -0.003 0.000 1.062 123 F HN 0.017 nan 8.300 nan 0.000 0.583 124 V N 6.383 126.295 119.914 -0.004 0.000 2.333 124 V HA 0.333 5.594 4.120 1.902 0.000 0.274 124 V C 0.058 176.060 176.094 -0.153 0.000 1.028 124 V CA -0.576 61.706 62.300 -0.030 0.000 0.851 124 V CB 0.943 32.745 31.823 -0.035 0.000 1.000 124 V HN 0.334 nan 8.190 nan 0.000 0.456 125 I N 6.677 127.153 120.570 -0.155 0.000 2.465 125 I HA 0.483 5.794 4.170 1.902 0.000 0.291 125 I C -2.555 173.472 176.117 -0.151 0.000 1.014 125 I CA -2.699 58.380 61.300 -0.370 0.000 1.093 125 I CB 2.103 39.900 38.000 -0.338 0.000 1.267 125 I HN 0.340 nan 8.210 nan 0.000 0.431 126 P HA 0.124 nan 4.420 nan 0.000 0.269 126 P C -0.113 177.198 177.300 0.019 0.000 1.209 126 P CA -0.382 62.725 63.100 0.012 0.000 0.776 126 P CB 0.404 32.153 31.700 0.080 0.000 0.876 127 R N 1.795 122.324 120.500 0.049 0.000 2.678 127 R HA 0.162 5.643 4.340 1.902 0.000 0.264 127 R C 1.437 177.761 176.300 0.040 0.000 0.995 127 R CA 1.319 57.449 56.100 0.050 0.000 1.098 127 R CB -1.164 29.171 30.300 0.059 0.000 0.949 127 R HN 0.939 nan 8.270 nan 0.000 0.422 128 G N 1.512 110.331 108.800 0.033 0.000 2.132 128 G HA2 -0.241 4.861 3.960 1.902 0.000 0.234 128 G HA3 -0.241 4.861 3.960 1.902 0.000 0.234 128 G C -0.080 174.843 174.900 0.037 0.000 0.989 128 G CA -0.126 44.995 45.100 0.034 0.000 0.676 128 G HN 0.602 nan 8.290 nan 0.000 0.522 129 N N -0.664 118.056 118.700 0.034 0.000 2.384 129 N HA 0.476 6.358 4.740 1.902 0.000 0.301 129 N C 0.083 175.619 175.510 0.044 0.000 1.133 129 N CA -0.413 52.650 53.050 0.022 0.000 0.853 129 N CB 2.380 40.864 38.487 -0.006 0.000 1.241 129 N HN 0.164 nan 8.380 nan 0.000 0.502 130 V N 2.720 122.648 119.914 0.024 0.000 2.540 130 V HA 0.026 5.287 4.120 1.902 0.000 0.297 130 V C 1.073 177.167 176.094 -0.000 0.000 1.024 130 V CA 0.631 62.968 62.300 0.061 0.000 1.105 130 V CB -0.223 31.589 31.823 -0.018 0.000 0.938 130 V HN 0.540 nan 8.190 nan 0.000 0.482 131 L N 6.937 128.173 121.223 0.022 0.000 2.425 131 L HA 0.403 5.885 4.340 1.902 0.000 0.215 131 L C 0.160 176.940 176.870 -0.149 0.000 1.065 131 L CA 0.277 55.037 54.840 -0.133 0.000 0.842 131 L CB 0.053 42.130 42.059 0.029 0.000 1.033 131 L HN 0.758 nan 8.230 nan 0.000 0.474 132 F N -1.510 118.403 119.950 -0.062 0.000 2.678 132 F HA 0.612 6.280 4.527 1.901 0.000 0.308 132 F C -0.738 175.074 175.800 0.019 0.000 1.118 132 F CA -1.069 56.900 58.000 -0.053 0.000 0.959 132 F CB 0.983 39.956 39.000 -0.045 0.000 1.305 132 F HN -0.182 nan 8.300 nan 0.000 0.443 133 T N 0.058 114.710 114.554 0.163 0.000 2.908 133 T HA 0.856 6.348 4.350 1.902 0.000 0.290 133 T C -1.475 173.236 174.700 0.018 0.000 1.034 133 T CA -0.873 61.174 62.100 -0.088 0.000 1.010 133 T CB 1.743 70.449 68.868 -0.270 0.000 1.068 133 T HN 0.843 nan 8.240 nan 0.000 0.481 134 V N 2.519 122.354 119.914 -0.131 0.000 2.638 134 V HA 0.710 5.972 4.120 1.902 0.000 0.306 134 V C -0.469 175.593 176.094 -0.052 0.000 1.052 134 V CA -0.815 61.514 62.300 0.049 0.000 0.885 134 V CB 1.455 33.450 31.823 0.286 0.000 0.999 134 V HN 1.163 nan 8.190 nan 0.000 0.424 135 E N 3.185 123.416 120.200 0.052 0.000 2.433 135 E HA 0.458 5.950 4.350 1.902 0.000 0.278 135 E C -1.483 175.159 176.600 0.070 0.000 0.976 135 E CA -1.052 55.412 56.400 0.106 0.000 0.793 135 E CB 2.117 31.964 29.700 0.245 0.000 1.311 135 E HN 0.607 nan 8.360 nan 0.000 0.460 136 N N 0.481 119.198 118.700 0.029 0.000 2.529 136 N HA 0.030 5.912 4.740 1.902 0.000 0.278 136 N C 0.480 175.986 175.510 -0.006 0.000 1.146 136 N CA -0.006 53.015 53.050 -0.049 0.000 0.980 136 N CB 1.440 39.841 38.487 -0.143 0.000 1.124 136 N HN 0.672 nan 8.380 nan 0.000 0.458 137 T N -3.387 111.143 114.554 -0.040 0.000 3.086 137 T HA 0.040 5.531 4.350 1.902 0.000 0.250 137 T C -0.104 174.599 174.700 0.005 0.000 1.074 137 T CA -0.077 62.018 62.100 -0.008 0.000 0.988 137 T CB -0.017 68.836 68.868 -0.024 0.000 0.988 137 T HN 0.564 nan 8.240 nan 0.000 0.530 138 D N 1.352 121.745 120.400 -0.012 0.000 2.757 138 D HA 0.323 6.105 4.640 1.902 0.000 0.249 138 D C -2.056 174.267 176.300 0.038 0.000 1.168 138 D CA -2.433 51.609 54.000 0.069 0.000 0.870 138 D CB 2.794 43.699 40.800 0.174 0.000 1.411 138 D HN -0.185 nan 8.370 nan 0.000 0.525 139 P HA -0.137 nan 4.420 nan 0.000 0.219 139 P C 0.889 178.249 177.300 0.100 0.000 1.146 139 P CA 0.848 63.987 63.100 0.064 0.000 0.808 139 P CB 0.593 32.321 31.700 0.046 0.000 0.779 140 E N -0.716 119.498 120.200 0.022 0.000 2.204 140 E HA -0.102 5.389 4.350 1.902 0.000 0.195 140 E C 1.198 177.781 176.600 -0.028 0.000 0.990 140 E CA 0.808 57.178 56.400 -0.050 0.000 0.821 140 E CB -0.667 28.724 29.700 -0.515 0.000 0.750 140 E HN 0.294 nan 8.360 nan 0.000 0.477 141 C N 1.652 120.833 119.300 -0.199 0.000 2.492 141 C HA 0.122 5.724 4.460 1.902 0.000 0.317 141 C C 1.848 176.333 174.990 -0.843 0.000 1.347 141 C CA -0.958 57.631 59.018 -0.715 0.000 1.759 141 C CB -2.236 25.155 27.740 -0.583 0.000 2.127 141 C HN 0.464 nan 8.230 nan 0.000 0.579 142 Y N 0.062 120.153 120.300 -0.348 0.000 2.256 142 Y HA -0.191 5.500 4.550 1.902 0.000 0.288 142 Y C 2.183 177.901 175.900 -0.304 0.000 1.155 142 Y CA 1.460 59.404 58.100 -0.261 0.000 1.203 142 Y CB -0.979 37.382 38.460 -0.165 0.000 0.980 142 Y HN 0.630 nan 8.280 nan 0.000 0.530 143 W N 0.174 120.823 121.300 -1.084 0.000 2.678 143 W HA 0.061 5.862 4.660 1.902 0.000 0.256 143 W C 1.228 177.672 176.519 -0.125 0.000 1.280 143 W CA 0.243 57.281 57.345 -0.513 0.000 1.345 143 W CB -0.905 28.269 29.460 -0.476 0.000 1.118 143 W HN 0.262 nan 8.180 nan 0.000 0.629 144 L N 2.449 123.071 121.223 -1.001 0.000 2.179 144 L HA -0.028 5.454 4.340 1.902 0.000 0.208 144 L C 2.411 179.199 176.870 -0.136 0.000 1.096 144 L CA 2.258 56.619 54.840 -0.798 0.000 0.779 144 L CB -0.979 40.309 42.059 -1.285 0.000 0.922 144 L HN -0.188 nan 8.230 nan 0.000 0.443 145 T N 0.194 114.687 114.554 -0.102 0.000 2.635 145 T HA -0.189 5.302 4.350 1.902 0.000 0.267 145 T C 1.573 176.440 174.700 0.278 0.000 1.040 145 T CA 2.120 64.278 62.100 0.096 0.000 1.156 145 T CB -0.288 68.636 68.868 0.093 0.000 0.863 145 T HN 0.333 nan 8.240 nan 0.000 0.430 146 N N -0.355 118.540 118.700 0.325 0.000 2.392 146 N HA 0.076 5.958 4.740 1.902 0.000 0.177 146 N C 1.199 176.913 175.510 0.339 0.000 1.066 146 N CA -0.044 53.246 53.050 0.399 0.000 0.895 146 N CB -0.178 38.592 38.487 0.471 0.000 0.988 146 N HN 0.436 nan 8.380 nan 0.000 0.457 147 W N 2.158 123.595 121.300 0.228 0.000 2.304 147 W HA -0.184 5.618 4.660 1.902 0.000 0.315 147 W C 1.071 177.691 176.519 0.169 0.000 1.233 147 W CA 1.315 58.814 57.345 0.256 0.000 1.261 147 W CB -0.178 29.511 29.460 0.382 0.000 1.150 147 W HN 0.087 nan 8.180 nan 0.000 0.494 148 I N -1.231 119.565 120.570 0.377 0.000 3.810 148 I HA 0.072 5.383 4.170 1.902 0.000 0.322 148 I C 1.814 177.907 176.117 -0.040 0.000 1.288 148 I CA 0.676 62.105 61.300 0.215 0.000 1.143 148 I CB -0.667 37.450 38.000 0.195 0.000 1.012 148 I HN -0.030 nan 8.210 nan 0.000 0.423 149 E N 2.132 122.213 120.200 -0.198 0.000 2.097 149 E HA -0.229 5.262 4.350 1.902 0.000 0.196 149 E C 1.737 178.133 176.600 -0.340 0.000 1.000 149 E CA 2.506 58.491 56.400 -0.693 0.000 0.804 149 E CB -0.016 29.331 29.700 -0.589 0.000 0.740 149 E HN 0.584 nan 8.360 nan 0.000 0.454 150 T N 1.275 115.753 114.554 -0.127 0.000 2.708 150 T HA -0.163 5.328 4.350 1.902 0.000 0.266 150 T C 1.946 176.645 174.700 -0.001 0.000 1.037 150 T CA 1.376 63.458 62.100 -0.031 0.000 1.146 150 T CB -0.297 68.563 68.868 -0.013 0.000 0.865 150 T HN 0.253 nan 8.240 nan 0.000 0.435 151 I N 0.328 120.893 120.570 -0.008 0.000 2.315 151 I HA -0.058 5.253 4.170 1.902 0.000 0.248 151 I C 1.975 178.089 176.117 -0.005 0.000 1.117 151 I CA 1.124 62.417 61.300 -0.012 0.000 1.404 151 I CB -0.027 37.971 38.000 -0.004 0.000 1.071 151 I HN 0.194 nan 8.210 nan 0.000 0.419 152 L N -0.663 120.553 121.223 -0.011 0.000 2.072 152 L HA -0.136 5.346 4.340 1.902 0.000 0.205 152 L C 2.455 179.424 176.870 0.165 0.000 1.079 152 L CA 0.639 55.505 54.840 0.044 0.000 0.752 152 L CB -0.533 41.611 42.059 0.141 0.000 0.906 152 L HN 0.057 nan 8.230 nan 0.000 0.436 153 V N -0.240 119.783 119.914 0.182 0.000 2.568 153 V HA -0.304 4.958 4.120 1.902 0.000 0.253 153 V C 2.338 178.717 176.094 0.476 0.000 1.072 153 V CA 1.514 64.059 62.300 0.408 0.000 1.084 153 V CB -0.608 31.404 31.823 0.315 0.000 0.676 153 V HN 0.527 nan 8.190 nan 0.000 0.469 154 Q N 0.276 120.249 119.800 0.289 0.000 2.443 154 Q HA -0.183 5.298 4.340 1.902 0.000 0.213 154 Q C 2.331 178.302 176.000 -0.047 0.000 0.982 154 Q CA 1.470 57.373 55.803 0.167 0.000 0.894 154 Q CB -0.318 28.460 28.738 0.067 0.000 0.947 154 Q HN 0.844 nan 8.270 nan 0.000 0.480 155 S N 0.732 116.441 115.700 0.015 0.000 2.465 155 S HA -0.167 5.444 4.470 1.902 0.000 0.241 155 S C 1.585 176.178 174.600 -0.012 0.000 1.000 155 S CA 0.790 58.925 58.200 -0.110 0.000 0.964 155 S CB -0.814 62.262 63.200 -0.206 0.000 0.763 155 S HN 0.712 nan 8.310 nan 0.000 0.512 156 W N 0.669 122.100 121.300 0.218 0.000 2.331 156 W HA -0.224 5.575 4.660 1.899 0.000 0.291 156 W C 1.833 178.466 176.519 0.191 0.000 1.214 156 W CA 0.849 58.378 57.345 0.308 0.000 1.228 156 W CB -1.107 28.542 29.460 0.316 0.000 1.135 156 W HN 0.408 nan 8.180 nan 0.000 0.537 157 Y N 4.141 123.815 120.300 -1.044 0.000 2.130 157 Y HA -0.052 5.641 4.550 1.904 0.000 0.287 157 Y C -0.094 175.522 175.900 -0.473 0.000 1.124 157 Y CA 1.828 59.140 58.100 -1.312 0.000 1.118 157 Y CB -1.898 35.618 38.460 -1.573 0.000 0.994 157 Y HN -0.261 nan 8.280 nan 0.000 0.497 158 P HA -0.180 nan 4.420 nan 0.000 0.218 158 P C 1.760 178.954 177.300 -0.177 0.000 1.149 158 P CA 1.931 64.794 63.100 -0.396 0.000 0.817 158 P CB -0.155 31.345 31.700 -0.334 0.000 0.785 159 I N -0.081 120.415 120.570 -0.124 0.000 2.163 159 I HA -0.237 5.075 4.170 1.902 0.000 0.243 159 I C 2.356 178.489 176.117 0.027 0.000 1.085 159 I CA 2.002 63.313 61.300 0.019 0.000 1.347 159 I CB -1.222 36.875 38.000 0.162 0.000 1.044 159 I HN 0.001 nan 8.210 nan 0.000 0.408 160 T N 0.128 114.695 114.554 0.021 0.000 2.812 160 T HA -0.085 5.406 4.350 1.902 0.000 0.264 160 T C 2.013 176.682 174.700 -0.053 0.000 1.042 160 T CA 1.090 63.215 62.100 0.042 0.000 1.140 160 T CB -0.245 68.771 68.868 0.247 0.000 0.870 160 T HN 0.082 nan 8.240 nan 0.000 0.445 161 V N 1.972 121.766 119.914 -0.200 0.000 2.261 161 V HA -0.195 5.067 4.120 1.902 0.000 0.246 161 V C 2.946 178.999 176.094 -0.069 0.000 1.047 161 V CA 1.799 63.985 62.300 -0.190 0.000 1.015 161 V CB -1.307 30.275 31.823 -0.401 0.000 0.642 161 V HN 0.527 nan 8.190 nan 0.000 0.446 162 A N -0.311 122.464 122.820 -0.075 0.000 1.892 162 A HA -0.272 5.189 4.320 1.902 0.000 0.218 162 A C 2.398 179.983 177.584 0.001 0.000 1.188 162 A CA 2.803 54.807 52.037 -0.055 0.000 0.631 162 A CB -1.064 17.897 19.000 -0.066 0.000 0.822 162 A HN 0.525 nan 8.150 nan 0.000 0.447 163 T N -0.198 114.375 114.554 0.033 0.000 2.701 163 T HA -0.136 5.355 4.350 1.902 0.000 0.263 163 T C 1.965 176.757 174.700 0.153 0.000 1.040 163 T CA 1.631 63.784 62.100 0.088 0.000 1.147 163 T CB -0.448 68.477 68.868 0.096 0.000 0.865 163 T HN 0.663 nan 8.240 nan 0.000 0.426 164 N N 0.791 119.573 118.700 0.137 0.000 2.223 164 N HA -0.082 5.799 4.740 1.902 0.000 0.185 164 N C 1.975 177.595 175.510 0.182 0.000 1.016 164 N CA 1.455 54.640 53.050 0.226 0.000 0.863 164 N CB -0.337 38.233 38.487 0.139 0.000 0.983 164 N HN 0.231 nan 8.380 nan 0.000 0.429 165 S N -0.156 115.639 115.700 0.158 0.000 2.368 165 S HA -0.093 5.519 4.470 1.902 0.000 0.224 165 S C 1.997 176.762 174.600 0.275 0.000 1.029 165 S CA 0.944 59.294 58.200 0.251 0.000 0.988 165 S CB -0.336 63.061 63.200 0.328 0.000 0.838 165 S HN 0.445 nan 8.310 nan 0.000 0.462 166 R N 0.327 120.912 120.500 0.141 0.000 2.115 166 R HA -0.002 5.480 4.340 1.902 0.000 0.226 166 R C 2.004 178.348 176.300 0.073 0.000 1.100 166 R CA 1.326 57.457 56.100 0.052 0.000 0.980 166 R CB -0.175 30.118 30.300 -0.011 0.000 0.875 166 R HN 0.345 nan 8.270 nan 0.000 0.445 167 E N 0.954 121.220 120.200 0.110 0.000 2.077 167 E HA -0.214 5.277 4.350 1.902 0.000 0.193 167 E C 1.982 178.621 176.600 0.066 0.000 0.989 167 E CA 1.329 57.774 56.400 0.075 0.000 0.800 167 E CB -0.122 29.628 29.700 0.083 0.000 0.746 167 E HN 0.553 nan 8.360 nan 0.000 0.452 168 Q N 0.494 120.358 119.800 0.106 0.000 2.124 168 Q HA -0.127 5.354 4.340 1.902 0.000 0.202 168 Q C 2.190 178.298 176.000 0.181 0.000 0.977 168 Q CA 1.191 57.046 55.803 0.087 0.000 0.850 168 Q CB -0.149 28.615 28.738 0.044 0.000 0.901 168 Q HN 0.117 nan 8.270 nan 0.000 0.429 169 K N 1.359 121.928 120.400 0.281 0.000 2.103 169 K HA -0.185 5.277 4.320 1.902 0.000 0.207 169 K C 1.813 178.456 176.600 0.071 0.000 1.048 169 K CA 1.268 57.672 56.287 0.196 0.000 0.930 169 K CB 0.145 32.547 32.500 -0.164 0.000 0.716 169 K HN 0.027 nan 8.250 nan 0.000 0.444 170 K N 0.383 120.809 120.400 0.043 0.000 2.026 170 K HA -0.124 5.337 4.320 1.902 0.000 0.208 170 K C 2.122 178.758 176.600 0.059 0.000 1.048 170 K CA 1.739 58.041 56.287 0.026 0.000 0.929 170 K CB -0.199 32.307 32.500 0.011 0.000 0.713 170 K HN 0.158 nan 8.250 nan 0.000 0.439 171 I N 1.294 121.908 120.570 0.073 0.000 2.127 171 I HA -0.332 4.979 4.170 1.902 0.000 0.241 171 I C 2.296 178.522 176.117 0.183 0.000 1.075 171 I CA 1.366 62.740 61.300 0.123 0.000 1.334 171 I CB -0.330 37.686 38.000 0.026 0.000 1.040 171 I HN 0.124 nan 8.210 nan 0.000 0.405 172 L N 0.360 121.656 121.223 0.122 0.000 2.017 172 L HA -0.237 5.245 4.340 1.902 0.000 0.208 172 L C 2.865 179.825 176.870 0.150 0.000 1.073 172 L CA 1.470 56.400 54.840 0.150 0.000 0.745 172 L CB -0.740 41.436 42.059 0.194 0.000 0.894 172 L HN 0.275 nan 8.230 nan 0.000 0.432 173 A N 0.054 122.935 122.820 0.101 0.000 1.883 173 A HA -0.285 5.176 4.320 1.902 0.000 0.217 173 A C 2.389 180.000 177.584 0.045 0.000 1.186 173 A CA 2.188 54.256 52.037 0.052 0.000 0.624 173 A CB -0.529 18.476 19.000 0.008 0.000 0.822 173 A HN 0.373 nan 8.150 nan 0.000 0.444 174 K N -1.612 118.822 120.400 0.056 0.000 1.991 174 K HA -0.208 5.254 4.320 1.902 0.000 0.212 174 K C 1.887 178.438 176.600 -0.081 0.000 1.049 174 K CA 2.014 58.286 56.287 -0.024 0.000 0.932 174 K CB -0.419 32.063 32.500 -0.031 0.000 0.717 174 K HN 0.496 nan 8.250 nan 0.000 0.441 175 Y N 0.602 120.889 120.300 -0.021 0.000 2.242 175 Y HA -0.165 4.375 4.550 -0.017 0.000 0.291 175 Y C 2.118 177.981 175.900 -0.062 0.000 1.137 175 Y CA 0.875 58.952 58.100 -0.039 0.000 1.181 175 Y CB -0.222 38.232 38.460 -0.011 0.000 0.989 175 Y HN 0.134 nan 8.280 nan 0.000 0.527 176 L N -0.536 120.758 121.223 0.118 0.000 2.046 176 L HA -0.178 5.304 4.340 1.902 0.000 0.208 176 L C 2.157 179.021 176.870 -0.009 0.000 1.077 176 L CA 1.419 56.290 54.840 0.050 0.000 0.747 176 L CB -0.917 41.186 42.059 0.072 0.000 0.896 176 L HN 0.234 nan 8.230 nan 0.000 0.432 177 L N -0.468 120.744 121.223 -0.017 0.000 2.046 177 L HA -0.195 5.287 4.340 1.902 0.000 0.208 177 L C 2.450 179.279 176.870 -0.068 0.000 1.077 177 L CA 1.840 56.658 54.840 -0.037 0.000 0.747 177 L CB -0.641 41.395 42.059 -0.038 0.000 0.896 177 L HN 0.403 nan 8.230 nan 0.000 0.432 178 E N -1.334 118.799 120.200 -0.112 0.000 2.047 178 E HA -0.199 5.293 4.350 1.902 0.000 0.191 178 E C 1.929 178.403 176.600 -0.209 0.000 0.987 178 E CA 1.724 58.038 56.400 -0.143 0.000 0.799 178 E CB -0.033 29.538 29.700 -0.216 0.000 0.752 178 E HN 0.691 nan 8.360 nan 0.000 0.449 179 T N -2.438 111.909 114.554 -0.346 0.000 3.067 179 T HA 0.011 5.502 4.350 1.902 0.000 0.261 179 T C 1.714 176.258 174.700 -0.260 0.000 1.110 179 T CA 0.968 62.639 62.100 -0.714 0.000 1.113 179 T CB 0.241 68.627 68.868 -0.804 0.000 0.917 179 T HN 0.128 nan 8.240 nan 0.000 0.499 180 S N -0.731 114.908 115.700 -0.101 0.000 2.651 180 S HA 0.515 6.126 4.470 1.902 0.000 0.259 180 S C 1.811 176.412 174.600 0.002 0.000 1.073 180 S CA 0.611 58.802 58.200 -0.015 0.000 1.090 180 S CB 0.040 63.237 63.200 -0.005 0.000 1.042 180 S HN 1.207 nan 8.310 nan 0.000 0.581 181 G N 1.866 110.659 108.800 -0.010 0.000 2.176 181 G HA2 -0.234 4.868 3.960 1.902 0.000 0.253 181 G HA3 -0.234 4.868 3.960 1.902 0.000 0.253 181 G C -0.179 174.719 174.900 -0.004 0.000 0.979 181 G CA 0.415 45.514 45.100 -0.003 0.000 0.641 181 G HN 1.161 nan 8.290 nan 0.000 0.530 182 N N -2.356 116.342 118.700 -0.003 0.000 3.243 182 N HA 0.679 6.560 4.740 1.902 0.000 0.280 182 N C -0.124 175.388 175.510 0.003 0.000 1.545 182 N CA -1.058 51.992 53.050 -0.001 0.000 0.854 182 N CB 0.266 38.755 38.487 0.003 0.000 1.612 182 N HN 0.030 nan 8.380 nan 0.000 0.577 183 L N -0.026 121.200 121.223 0.005 0.000 3.014 183 L HA 0.433 5.914 4.340 1.902 0.000 0.263 183 L C -0.882 176.003 176.870 0.024 0.000 1.207 183 L CA -0.262 54.584 54.840 0.011 0.000 1.017 183 L CB -0.983 41.073 42.059 -0.006 0.000 1.360 183 L HN 0.581 nan 8.230 nan 0.000 0.560 184 D N 0.673 121.089 120.400 0.027 0.000 2.487 184 D HA 0.385 6.166 4.640 1.902 0.000 0.243 184 D C 1.467 177.806 176.300 0.065 0.000 1.154 184 D CA 1.331 55.354 54.000 0.038 0.000 0.876 184 D CB 0.777 41.593 40.800 0.026 0.000 1.161 184 D HN 0.336 nan 8.370 nan 0.000 0.478 185 G N 1.750 110.612 108.800 0.103 0.000 2.179 185 G HA2 -0.345 4.757 3.960 1.902 0.000 0.260 185 G HA3 -0.345 4.757 3.960 1.902 0.000 0.260 185 G C 1.061 176.078 174.900 0.195 0.000 0.977 185 G CA 0.423 45.628 45.100 0.175 0.000 0.641 185 G HN 0.506 nan 8.290 nan 0.000 0.533 186 L N 1.161 122.456 121.223 0.121 0.000 2.051 186 L HA -0.008 5.474 4.340 1.902 0.000 0.214 186 L C 2.310 179.271 176.870 0.152 0.000 1.076 186 L CA 3.043 57.952 54.840 0.115 0.000 0.758 186 L CB -0.524 41.548 42.059 0.022 0.000 0.890 186 L HN 0.526 nan 8.230 nan 0.000 0.433 187 E N -1.998 118.216 120.200 0.022 0.000 2.472 187 E HA -0.175 5.316 4.350 1.902 0.000 0.200 187 E C 0.715 177.253 176.600 -0.104 0.000 1.046 187 E CA 0.658 56.982 56.400 -0.127 0.000 0.871 187 E CB -0.048 29.459 29.700 -0.322 0.000 0.806 187 E HN 0.643 nan 8.360 nan 0.000 0.533 188 Y N -0.685 119.770 120.300 0.258 0.000 2.612 188 Y HA 0.172 5.862 4.550 1.901 0.000 0.250 188 Y C 1.580 177.598 175.900 0.197 0.000 1.175 188 Y CA -0.315 57.920 58.100 0.226 0.000 1.205 188 Y CB 0.737 39.282 38.460 0.141 0.000 1.201 188 Y HN -0.185 nan 8.280 nan 0.000 0.532 189 K N 0.239 120.837 120.400 0.331 0.000 2.418 189 K HA 0.128 5.590 4.320 1.902 0.000 0.195 189 K C -0.319 176.335 176.600 0.089 0.000 1.035 189 K CA 0.403 56.827 56.287 0.229 0.000 1.003 189 K CB 0.474 33.145 32.500 0.286 0.000 0.793 189 K HN 0.120 nan 8.250 nan 0.000 0.494 190 L N 0.693 121.781 121.223 -0.225 0.000 2.415 190 L HA 0.288 5.770 4.340 1.902 0.000 0.268 190 L C -1.435 175.262 176.870 -0.288 0.000 0.984 190 L CA -0.698 53.877 54.840 -0.440 0.000 0.853 190 L CB 1.184 42.636 42.059 -1.011 0.000 1.215 190 L HN -0.009 nan 8.230 nan 0.000 0.419 191 H N 2.545 121.470 119.070 -0.242 0.000 2.473 191 H HA 0.359 6.054 4.556 1.900 0.000 0.327 191 H C -0.754 174.423 175.328 -0.251 0.000 1.105 191 H CA -0.246 55.733 56.048 -0.114 0.000 1.280 191 H CB 1.151 30.874 29.762 -0.064 0.000 1.450 191 H HN 0.635 nan 8.280 nan 0.000 0.492 192 D N 4.649 124.925 120.400 -0.207 0.000 2.338 192 D HA -0.046 5.736 4.640 1.902 0.000 0.255 192 D C -0.171 176.319 176.300 0.316 0.000 1.237 192 D CA 0.273 54.175 54.000 -0.163 0.000 0.883 192 D CB -0.058 40.631 40.800 -0.186 0.000 1.087 192 D HN 0.612 nan 8.370 nan 0.000 0.485 193 F N 1.570 121.530 119.950 0.018 0.000 2.641 193 F HA 0.216 5.890 4.527 1.913 0.000 0.302 193 F C 2.038 177.876 175.800 0.064 0.000 1.098 193 F CA -0.651 57.392 58.000 0.073 0.000 1.318 193 F CB 1.093 40.127 39.000 0.056 0.000 1.035 193 F HN 0.488 nan 8.300 nan 0.000 0.551 194 G N -0.961 107.967 108.800 0.213 0.000 3.233 194 G HA2 -0.163 4.939 3.960 1.902 0.000 0.227 194 G HA3 -0.163 4.939 3.960 1.902 0.000 0.227 194 G C 1.051 176.065 174.900 0.190 0.000 1.175 194 G CA -0.041 45.153 45.100 0.156 0.000 0.781 194 G HN 0.256 nan 8.290 nan 0.000 0.542 195 Y N 2.766 123.099 120.300 0.056 0.000 2.097 195 Y HA -0.215 5.477 4.550 1.902 0.000 0.282 195 Y C 2.784 178.700 175.900 0.026 0.000 1.152 195 Y CA 1.714 59.835 58.100 0.034 0.000 1.136 195 Y CB -0.188 38.288 38.460 0.026 0.000 0.975 195 Y HN 0.419 nan 8.280 nan 0.000 0.498 196 R N -0.811 119.783 120.500 0.157 0.000 2.189 196 R HA 0.035 5.517 4.340 1.902 0.000 0.218 196 R C 1.991 178.332 176.300 0.068 0.000 1.074 196 R CA 1.314 57.444 56.100 0.049 0.000 0.991 196 R CB -0.900 29.403 30.300 0.004 0.000 0.883 196 R HN 0.330 nan 8.270 nan 0.000 0.457 197 G N 1.645 110.503 108.800 0.097 0.000 3.042 197 G HA2 0.160 5.261 3.960 1.902 0.000 0.212 197 G HA3 0.160 5.261 3.960 1.902 0.000 0.212 197 G C 0.566 175.513 174.900 0.079 0.000 1.166 197 G CA 0.271 45.420 45.100 0.080 0.000 0.767 197 G HN 0.215 nan 8.290 nan 0.000 0.546 198 V N -1.608 118.362 119.914 0.093 0.000 3.234 198 V HA 0.625 5.886 4.120 1.902 0.000 0.317 198 V C 1.302 177.421 176.094 0.042 0.000 1.081 198 V CA 0.263 62.603 62.300 0.067 0.000 1.037 198 V CB 1.392 33.258 31.823 0.073 0.000 1.148 198 V HN 0.114 nan 8.190 nan 0.000 0.453 199 S N -0.174 115.527 115.700 0.002 0.000 2.528 199 S HA 0.264 5.876 4.470 1.902 0.000 0.219 199 S C 0.700 175.302 174.600 0.003 0.000 0.985 199 S CA 0.336 58.534 58.200 -0.004 0.000 0.914 199 S CB -0.727 62.456 63.200 -0.027 0.000 0.776 199 S HN 1.814 nan 8.310 nan 0.000 0.526 200 S N -0.898 114.810 115.700 0.015 0.000 2.615 200 S HA 0.358 5.969 4.470 1.902 0.000 0.268 200 S C 0.039 174.686 174.600 0.078 0.000 1.146 200 S CA -0.889 57.332 58.200 0.035 0.000 0.818 200 S CB 0.815 64.024 63.200 0.015 0.000 1.111 200 S HN -0.082 nan 8.310 nan 0.000 0.465 201 Q N 1.046 120.906 119.800 0.100 0.000 2.096 201 Q HA -0.172 5.309 4.340 1.902 0.000 0.204 201 Q C 1.788 177.840 176.000 0.087 0.000 0.982 201 Q CA 2.206 58.097 55.803 0.148 0.000 0.850 201 Q CB -0.442 28.378 28.738 0.136 0.000 0.901 201 Q HN 0.918 nan 8.270 nan 0.000 0.422 202 E N 0.034 120.269 120.200 0.058 0.000 2.047 202 E HA -0.134 5.358 4.350 1.902 0.000 0.191 202 E C 1.796 178.386 176.600 -0.017 0.000 0.987 202 E CA 1.404 57.830 56.400 0.043 0.000 0.799 202 E CB 0.183 29.933 29.700 0.084 0.000 0.752 202 E HN 0.241 nan 8.360 nan 0.000 0.449 203 T N 0.824 115.353 114.554 -0.042 0.000 2.699 203 T HA -0.219 5.273 4.350 1.902 0.000 0.268 203 T C 1.793 176.491 174.700 -0.005 0.000 1.036 203 T CA 1.403 63.445 62.100 -0.097 0.000 1.147 203 T CB -0.357 68.384 68.868 -0.211 0.000 0.862 203 T HN 0.360 nan 8.240 nan 0.000 0.446 204 A N 1.347 124.162 122.820 -0.008 0.000 1.865 204 A HA 0.046 5.507 4.320 1.902 0.000 0.217 204 A C 2.658 180.146 177.584 -0.160 0.000 1.191 204 A CA 2.040 54.032 52.037 -0.074 0.000 0.623 204 A CB -1.440 17.498 19.000 -0.103 0.000 0.826 204 A HN 0.522 nan 8.150 nan 0.000 0.444 205 G N -0.216 108.492 108.800 -0.154 0.000 2.418 205 G HA2 -0.177 4.925 3.960 1.902 0.000 0.217 205 G HA3 -0.177 4.925 3.960 1.902 0.000 0.217 205 G C 1.537 176.335 174.900 -0.170 0.000 1.158 205 G CA 1.173 46.173 45.100 -0.168 0.000 0.771 205 G HN 0.486 nan 8.290 nan 0.000 0.545 206 I N 1.154 121.616 120.570 -0.179 0.000 2.202 206 I HA -0.040 5.271 4.170 1.902 0.000 0.242 206 I C 3.112 179.183 176.117 -0.077 0.000 1.091 206 I CA 1.064 62.233 61.300 -0.220 0.000 1.368 206 I CB -0.527 37.339 38.000 -0.222 0.000 1.058 206 I HN 0.228 nan 8.210 nan 0.000 0.410 207 G N 0.485 109.324 108.800 0.065 0.000 2.446 207 G HA2 -0.261 4.841 3.960 1.902 0.000 0.217 207 G HA3 -0.261 4.841 3.960 1.902 0.000 0.217 207 G C 1.866 176.733 174.900 -0.056 0.000 1.168 207 G CA 0.891 45.975 45.100 -0.028 0.000 0.771 207 G HN 0.488 nan 8.290 nan 0.000 0.551 208 A N 1.269 124.054 122.820 -0.058 0.000 1.908 208 A HA -0.071 5.390 4.320 1.902 0.000 0.218 208 A C 2.767 180.321 177.584 -0.050 0.000 1.181 208 A CA 2.788 54.788 52.037 -0.062 0.000 0.627 208 A CB -0.879 18.039 19.000 -0.137 0.000 0.818 208 A HN 0.842 nan 8.150 nan 0.000 0.445 209 S N 0.259 115.907 115.700 -0.087 0.000 2.383 209 S HA -0.030 5.581 4.470 1.902 0.000 0.229 209 S C 2.072 176.640 174.600 -0.054 0.000 1.030 209 S CA 1.520 59.657 58.200 -0.105 0.000 1.002 209 S CB -0.696 62.465 63.200 -0.064 0.000 0.829 209 S HN 0.953 nan 8.310 nan 0.000 0.467 210 A N 1.563 124.375 122.820 -0.014 0.000 1.898 210 A HA -0.081 5.380 4.320 1.902 0.000 0.216 210 A C 2.113 179.630 177.584 -0.113 0.000 1.181 210 A CA 1.812 53.770 52.037 -0.133 0.000 0.620 210 A CB -1.379 17.592 19.000 -0.049 0.000 0.819 210 A HN 0.777 nan 8.150 nan 0.000 0.442 211 H N 0.074 119.078 119.070 -0.110 0.000 2.387 211 H HA 0.021 5.715 4.556 1.897 0.000 0.299 211 H C 1.500 176.835 175.328 0.011 0.000 1.090 211 H CA 1.759 57.786 56.048 -0.035 0.000 1.332 211 H CB -0.336 29.398 29.762 -0.046 0.000 1.386 211 H HN 0.363 nan 8.280 nan 0.000 0.516 212 L N -0.258 120.926 121.223 -0.065 0.000 2.549 212 L HA -0.075 5.406 4.340 1.902 0.000 0.229 212 L C 2.150 179.007 176.870 -0.021 0.000 1.158 212 L CA 0.149 54.958 54.840 -0.051 0.000 0.842 212 L CB -0.105 41.962 42.059 0.013 0.000 0.952 212 L HN 0.190 nan 8.230 nan 0.000 0.452 213 V N 0.209 120.008 119.914 -0.192 0.000 2.594 213 V HA -0.230 5.031 4.120 1.902 0.000 0.253 213 V C 1.801 177.648 176.094 -0.411 0.000 1.069 213 V CA 1.681 63.679 62.300 -0.504 0.000 1.082 213 V CB -0.457 30.993 31.823 -0.622 0.000 0.680 213 V HN 0.612 nan 8.190 nan 0.000 0.469 214 N N -2.163 116.318 118.700 -0.365 0.000 2.460 214 N HA 0.211 6.093 4.740 1.902 0.000 0.193 214 N C 0.125 175.168 175.510 -0.780 0.000 1.080 214 N CA 0.321 53.059 53.050 -0.519 0.000 0.869 214 N CB 0.855 39.088 38.487 -0.423 0.000 1.201 214 N HN 0.409 nan 8.380 nan 0.000 0.457 215 F N 0.158 119.834 119.950 -0.458 0.000 2.664 215 F HA 0.459 6.114 4.527 1.881 0.000 0.329 215 F C 1.222 176.781 175.800 -0.402 0.000 1.090 215 F CA -0.797 56.927 58.000 -0.460 0.000 0.978 215 F CB 1.707 40.363 39.000 -0.573 0.000 1.378 215 F HN -0.447 nan 8.300 nan 0.000 0.495 216 K N 0.169 120.436 120.400 -0.221 0.000 2.402 216 K HA 0.266 5.727 4.320 1.902 0.000 0.203 216 K C 0.227 176.837 176.600 0.017 0.000 1.077 216 K CA 0.124 56.293 56.287 -0.198 0.000 1.051 216 K CB 1.234 33.423 32.500 -0.518 0.000 0.907 216 K HN 0.703 nan 8.250 nan 0.000 0.554 217 G N 0.783 109.588 108.800 0.009 0.000 2.335 217 G HA2 0.387 5.489 3.960 1.902 0.000 0.316 217 G HA3 0.387 5.489 3.960 1.902 0.000 0.316 217 G C -0.938 173.644 174.900 -0.530 0.000 1.129 217 G CA 0.022 45.127 45.100 0.007 0.000 0.899 217 G HN -0.082 nan 8.290 nan 0.000 0.448 218 T N 0.838 115.049 114.554 -0.573 0.000 2.982 218 T HA 0.364 5.856 4.350 1.902 0.000 0.321 218 T C -0.713 174.004 174.700 0.029 0.000 1.229 218 T CA -0.524 61.365 62.100 -0.353 0.000 1.044 218 T CB 1.813 70.628 68.868 -0.089 0.000 1.184 218 T HN 0.270 nan 8.240 nan 0.000 0.477 219 D N 1.622 122.156 120.400 0.223 0.000 2.398 219 D HA 0.207 5.989 4.640 1.902 0.000 0.210 219 D C 0.327 176.726 176.300 0.164 0.000 1.094 219 D CA 0.273 54.423 54.000 0.250 0.000 0.839 219 D CB 0.614 41.568 40.800 0.257 0.000 0.963 219 D HN 0.451 nan 8.370 nan 0.000 0.506 220 T N 0.918 115.504 114.554 0.054 0.000 3.364 220 T HA 0.098 5.590 4.350 1.902 0.000 0.323 220 T C 1.744 176.305 174.700 -0.230 0.000 1.323 220 T CA -0.184 61.826 62.100 -0.149 0.000 1.073 220 T CB 0.894 69.621 68.868 -0.234 0.000 1.150 220 T HN -0.166 nan 8.240 nan 0.000 0.727 221 V N 2.230 122.090 119.914 -0.090 0.000 2.380 221 V HA -0.275 4.986 4.120 1.902 0.000 0.251 221 V C 2.806 178.822 176.094 -0.130 0.000 1.063 221 V CA 2.183 64.460 62.300 -0.039 0.000 1.055 221 V CB -1.064 30.820 31.823 0.102 0.000 0.657 221 V HN 0.901 nan 8.190 nan 0.000 0.455 222 A N 0.708 123.354 122.820 -0.289 0.000 1.997 222 A HA -0.215 5.246 4.320 1.902 0.000 0.221 222 A C 2.418 179.889 177.584 -0.187 0.000 1.172 222 A CA 2.155 54.047 52.037 -0.243 0.000 0.645 222 A CB -1.220 17.541 19.000 -0.399 0.000 0.813 222 A HN 0.577 nan 8.150 nan 0.000 0.454 223 G N -0.283 108.387 108.800 -0.218 0.000 2.432 223 G HA2 -0.139 4.962 3.960 1.902 0.000 0.219 223 G HA3 -0.139 4.962 3.960 1.902 0.000 0.219 223 G C 1.498 176.296 174.900 -0.170 0.000 1.135 223 G CA 0.975 45.968 45.100 -0.179 0.000 0.767 223 G HN 0.485 nan 8.290 nan 0.000 0.550 224 L N 0.571 121.702 121.223 -0.153 0.000 2.012 224 L HA -0.097 5.384 4.340 1.902 0.000 0.210 224 L C 3.373 180.178 176.870 -0.109 0.000 1.073 224 L CA 1.262 56.012 54.840 -0.150 0.000 0.748 224 L CB -0.557 41.428 42.059 -0.125 0.000 0.891 224 L HN 0.298 nan 8.230 nan 0.000 0.431 225 A N -0.023 122.758 122.820 -0.066 0.000 1.897 225 A HA -0.159 5.302 4.320 1.902 0.000 0.215 225 A C 2.317 179.906 177.584 0.008 0.000 1.181 225 A CA 1.240 53.259 52.037 -0.030 0.000 0.620 225 A CB -0.660 18.336 19.000 -0.007 0.000 0.821 225 A HN 0.372 nan 8.150 nan 0.000 0.443 226 L N -0.377 120.869 121.223 0.037 0.000 2.012 226 L HA -0.190 5.291 4.340 1.902 0.000 0.210 226 L C 2.383 179.377 176.870 0.206 0.000 1.073 226 L CA 1.751 56.700 54.840 0.181 0.000 0.748 226 L CB -0.240 41.850 42.059 0.052 0.000 0.891 226 L HN 0.438 nan 8.230 nan 0.000 0.431 227 I N -0.274 120.296 120.570 -0.001 0.000 2.179 227 I HA -0.336 4.975 4.170 1.902 0.000 0.242 227 I C 2.611 178.740 176.117 0.020 0.000 1.088 227 I CA 1.555 62.809 61.300 -0.076 0.000 1.357 227 I CB -0.311 37.354 38.000 -0.560 0.000 1.051 227 I HN 0.285 nan 8.210 nan 0.000 0.409 228 K N 1.406 121.781 120.400 -0.042 0.000 2.063 228 K HA -0.272 5.189 4.320 1.902 0.000 0.208 228 K C 2.218 178.781 176.600 -0.062 0.000 1.048 228 K CA 1.820 58.082 56.287 -0.040 0.000 0.928 228 K CB -0.044 32.422 32.500 -0.057 0.000 0.713 228 K HN 0.137 nan 8.250 nan 0.000 0.442 229 K N -1.017 119.316 120.400 -0.112 0.000 2.137 229 K HA -0.093 5.369 4.320 1.902 0.000 0.202 229 K C 1.258 177.575 176.600 -0.472 0.000 1.052 229 K CA 1.069 57.159 56.287 -0.327 0.000 0.961 229 K CB 0.094 32.309 32.500 -0.475 0.000 0.741 229 K HN 0.199 nan 8.250 nan 0.000 0.452 230 Y N -1.905 118.376 120.300 -0.032 0.000 2.462 230 Y HA 0.128 5.819 4.550 1.902 0.000 0.253 230 Y C 0.841 176.531 175.900 -0.350 0.000 1.095 230 Y CA 0.116 58.099 58.100 -0.195 0.000 1.283 230 Y CB 0.640 38.984 38.460 -0.193 0.000 1.138 230 Y HN 0.020 nan 8.280 nan 0.000 0.522 231 Y N -1.147 119.261 120.300 0.181 0.000 2.912 231 Y HA 0.500 6.193 4.550 1.905 0.000 0.250 231 Y C 1.150 177.148 175.900 0.165 0.000 1.073 231 Y CA 0.152 58.386 58.100 0.223 0.000 1.275 231 Y CB 0.561 39.244 38.460 0.371 0.000 1.470 231 Y HN -0.160 nan 8.280 nan 0.000 0.447 232 G N 1.203 110.165 108.800 0.269 0.000 2.895 232 G HA2 0.112 5.213 3.960 1.902 0.000 0.686 232 G HA3 0.112 5.213 3.960 1.902 0.000 0.686 232 G C -0.521 174.500 174.900 0.201 0.000 1.108 232 G CA -0.359 44.839 45.100 0.162 0.000 0.761 232 G HN 0.469 nan 8.290 nan 0.000 0.611 233 T N -0.127 114.504 114.554 0.129 0.000 2.893 233 T HA 0.717 6.208 4.350 1.902 0.000 0.291 233 T C 1.057 175.810 174.700 0.088 0.000 1.028 233 T CA -0.585 61.596 62.100 0.135 0.000 0.995 233 T CB 2.246 71.191 68.868 0.129 0.000 1.051 233 T HN 0.452 nan 8.240 nan 0.000 0.470 234 K N 0.679 121.131 120.400 0.087 0.000 2.103 234 K HA 0.001 5.462 4.320 1.902 0.000 0.207 234 K C 0.331 176.971 176.600 0.067 0.000 1.048 234 K CA 1.088 57.415 56.287 0.067 0.000 0.930 234 K CB -0.428 32.110 32.500 0.063 0.000 0.716 234 K HN 0.696 nan 8.250 nan 0.000 0.444 235 D N -0.001 120.447 120.400 0.081 0.000 2.339 235 D HA 0.038 5.819 4.640 1.902 0.000 0.245 235 D C -1.505 174.835 176.300 0.068 0.000 1.115 235 D CA -1.556 52.499 54.000 0.092 0.000 0.917 235 D CB 0.689 41.570 40.800 0.134 0.000 1.192 235 D HN -0.120 nan 8.370 nan 0.000 0.428 236 P HA -0.152 nan 4.420 nan 0.000 0.216 236 P C 0.162 177.463 177.300 0.001 0.000 1.157 236 P CA 1.293 64.418 63.100 0.042 0.000 0.880 236 P CB 0.234 31.972 31.700 0.063 0.000 0.791 237 V N -6.586 113.311 119.914 -0.029 0.000 2.876 237 V HA 0.472 5.734 4.120 1.902 0.000 0.312 237 V C -2.152 173.806 176.094 -0.227 0.000 1.085 237 V CA -2.028 60.178 62.300 -0.157 0.000 0.945 237 V CB 1.699 33.371 31.823 -0.251 0.000 1.017 237 V HN -0.184 nan 8.190 nan 0.000 0.428 238 P HA 0.259 nan 4.420 nan 0.000 0.236 238 P C 0.569 177.717 177.300 -0.253 0.000 1.177 238 P CA 1.012 64.010 63.100 -0.169 0.000 0.773 238 P CB 0.442 32.005 31.700 -0.229 0.000 0.878 239 G N -1.264 107.226 108.800 -0.516 0.000 2.720 239 G HA2 0.572 5.674 3.960 1.902 0.000 0.295 239 G HA3 0.572 5.674 3.960 1.902 0.000 0.295 239 G C -2.185 172.358 174.900 -0.595 0.000 1.437 239 G CA -0.450 44.400 45.100 -0.418 0.000 0.886 239 G HN -0.111 nan 8.290 nan 0.000 0.509 240 Y N -0.415 119.967 120.300 0.136 0.000 2.553 240 Y HA 0.806 6.497 4.550 1.900 0.000 0.347 240 Y C 0.472 176.508 175.900 0.227 0.000 1.019 240 Y CA -0.787 57.421 58.100 0.180 0.000 1.032 240 Y CB 2.772 41.378 38.460 0.242 0.000 1.284 240 Y HN 0.700 nan 8.280 nan 0.000 0.466 241 S N 0.561 116.475 115.700 0.357 0.000 2.697 241 S HA 0.886 6.497 4.470 1.902 0.000 0.289 241 S C -1.476 173.219 174.600 0.159 0.000 1.149 241 S CA -0.543 57.845 58.200 0.312 0.000 0.850 241 S CB 1.295 64.644 63.200 0.248 0.000 1.151 241 S HN 0.794 nan 8.310 nan 0.000 0.491 242 V N 0.055 120.002 119.914 0.055 0.000 3.001 242 V HA 0.805 6.066 4.120 1.902 0.000 0.314 242 V C -2.923 173.071 176.094 -0.166 0.000 1.099 242 V CA -2.488 59.775 62.300 -0.061 0.000 0.989 242 V CB 0.523 32.289 31.823 -0.096 0.000 1.040 242 V HN 0.726 nan 8.190 nan 0.000 0.434 243 P HA 0.550 nan 4.420 nan 0.000 0.266 243 P C -0.570 176.471 177.300 -0.432 0.000 1.195 243 P CA 0.427 63.194 63.100 -0.556 0.000 0.768 243 P CB 0.669 31.596 31.700 -1.288 0.000 0.838 244 A N 1.646 124.251 122.820 -0.359 0.000 2.566 244 A HA 0.694 6.155 4.320 1.902 0.000 0.297 244 A C -0.826 176.647 177.584 -0.185 0.000 1.059 244 A CA -0.492 51.395 52.037 -0.251 0.000 0.691 244 A CB 1.300 20.161 19.000 -0.231 0.000 1.282 244 A HN 0.547 nan 8.150 nan 0.000 0.401 245 A N 1.088 123.827 122.820 -0.135 0.000 2.271 245 A HA 0.738 6.200 4.320 1.902 0.000 0.288 245 A C 0.229 177.737 177.584 -0.128 0.000 1.094 245 A CA 0.238 52.232 52.037 -0.071 0.000 0.828 245 A CB 0.286 19.279 19.000 -0.012 0.000 1.091 245 A HN 1.105 nan 8.150 nan 0.000 0.493 246 E N -0.720 119.424 120.200 -0.094 0.000 2.404 246 E HA 0.446 5.937 4.350 1.902 0.000 0.264 246 E C -0.232 176.290 176.600 -0.131 0.000 0.946 246 E CA -0.688 55.629 56.400 -0.138 0.000 0.806 246 E CB 0.489 30.153 29.700 -0.060 0.000 1.334 246 E HN 0.630 nan 8.360 nan 0.000 0.429 247 H N -0.042 119.030 119.070 0.003 0.000 2.421 247 H HA -0.125 5.572 4.556 1.902 0.000 0.298 247 H C 2.229 177.583 175.328 0.042 0.000 1.087 247 H CA 2.361 58.413 56.048 0.006 0.000 1.330 247 H CB 0.103 29.845 29.762 -0.034 0.000 1.388 247 H HN 0.597 nan 8.280 nan 0.000 0.526 248 S N -0.056 115.726 115.700 0.137 0.000 2.399 248 S HA -0.195 5.416 4.470 1.902 0.000 0.231 248 S C 2.241 176.930 174.600 0.147 0.000 1.022 248 S CA 1.464 59.735 58.200 0.117 0.000 0.983 248 S CB -0.742 62.504 63.200 0.076 0.000 0.803 248 S HN 0.621 nan 8.310 nan 0.000 0.480 249 T N -0.327 114.319 114.554 0.153 0.000 3.023 249 T HA 0.168 5.660 4.350 1.902 0.000 0.266 249 T C 1.704 176.627 174.700 0.371 0.000 1.093 249 T CA 0.537 62.783 62.100 0.244 0.000 1.129 249 T CB -0.378 68.623 68.868 0.222 0.000 0.899 249 T HN 0.312 nan 8.240 nan 0.000 0.491 250 I N 2.918 123.645 120.570 0.261 0.000 2.364 250 I HA -0.005 5.306 4.170 1.902 0.000 0.241 250 I C 3.042 179.355 176.117 0.327 0.000 1.082 250 I CA 1.753 63.204 61.300 0.252 0.000 1.401 250 I CB -1.819 36.285 38.000 0.173 0.000 1.126 250 I HN 0.481 nan 8.210 nan 0.000 0.429 251 T N 0.172 114.881 114.554 0.260 0.000 2.833 251 T HA -0.057 5.434 4.350 1.902 0.000 0.269 251 T C 2.025 176.889 174.700 0.275 0.000 1.054 251 T CA 1.116 63.387 62.100 0.285 0.000 1.135 251 T CB -0.599 68.388 68.868 0.198 0.000 0.869 251 T HN 0.248 nan 8.240 nan 0.000 0.466 252 A N 0.655 123.616 122.820 0.236 0.000 2.042 252 A HA -0.070 5.391 4.320 1.902 0.000 0.222 252 A C 1.897 179.522 177.584 0.067 0.000 1.167 252 A CA 1.395 53.496 52.037 0.107 0.000 0.649 252 A CB -1.326 17.681 19.000 0.012 0.000 0.809 252 A HN 0.789 nan 8.150 nan 0.000 0.457 253 W N -0.929 120.396 121.300 0.042 0.000 2.800 253 W HA 0.385 6.187 4.660 1.903 0.000 0.249 253 W C 1.299 177.843 176.519 0.041 0.000 1.294 253 W CA 1.188 58.539 57.345 0.010 0.000 1.402 253 W CB -0.310 29.169 29.460 0.031 0.000 1.126 253 W HN 0.683 nan 8.180 nan 0.000 0.652 254 G N 0.458 109.430 108.800 0.287 0.000 2.712 254 G HA2 -0.250 4.852 3.960 1.902 0.000 0.686 254 G HA3 -0.250 4.852 3.960 1.902 0.000 0.686 254 G C 0.642 175.645 174.900 0.172 0.000 1.181 254 G CA -0.368 44.859 45.100 0.212 0.000 0.762 254 G HN 0.267 nan 8.290 nan 0.000 0.641 255 K N -0.048 120.349 120.400 -0.005 0.000 2.152 255 K HA -0.077 5.385 4.320 1.902 0.000 0.206 255 K C 1.147 177.513 176.600 -0.390 0.000 1.048 255 K CA 1.870 57.914 56.287 -0.405 0.000 0.933 255 K CB 0.059 32.224 32.500 -0.560 0.000 0.721 255 K HN 0.348 nan 8.250 nan 0.000 0.447 256 D N 0.504 120.767 120.400 -0.228 0.000 2.363 256 D HA -0.047 5.734 4.640 1.902 0.000 0.226 256 D C 0.551 176.513 176.300 -0.564 0.000 1.020 256 D CA 0.718 54.486 54.000 -0.387 0.000 0.892 256 D CB 0.081 40.633 40.800 -0.413 0.000 0.900 256 D HN 0.436 nan 8.370 nan 0.000 0.531 257 H N -0.498 118.521 119.070 -0.085 0.000 2.510 257 H HA 0.132 5.830 4.556 1.902 0.000 0.266 257 H C 1.269 176.497 175.328 -0.166 0.000 1.146 257 H CA -0.134 55.881 56.048 -0.056 0.000 0.993 257 H CB 0.759 30.582 29.762 0.102 0.000 1.727 257 H HN 0.237 nan 8.280 nan 0.000 0.590 258 E N 2.072 122.160 120.200 -0.186 0.000 2.097 258 E HA -0.211 5.281 4.350 1.902 0.000 0.196 258 E C 2.165 178.283 176.600 -0.805 0.000 1.000 258 E CA 1.244 57.377 56.400 -0.445 0.000 0.804 258 E CB 0.292 29.741 29.700 -0.418 0.000 0.740 258 E HN 0.300 nan 8.360 nan 0.000 0.454 259 K N 0.267 120.309 120.400 -0.598 0.000 2.063 259 K HA -0.205 5.256 4.320 1.902 0.000 0.208 259 K C 1.626 178.007 176.600 -0.365 0.000 1.048 259 K CA 1.898 57.880 56.287 -0.508 0.000 0.928 259 K CB -0.033 32.286 32.500 -0.302 0.000 0.713 259 K HN 0.129 nan 8.250 nan 0.000 0.442 260 D N 0.455 120.679 120.400 -0.293 0.000 2.117 260 D HA -0.156 5.625 4.640 1.902 0.000 0.197 260 D C 1.823 177.639 176.300 -0.807 0.000 0.987 260 D CA 1.361 55.171 54.000 -0.317 0.000 0.829 260 D CB -0.203 40.568 40.800 -0.048 0.000 0.961 260 D HN 0.388 nan 8.370 nan 0.000 0.460 261 A N 0.969 123.128 122.820 -1.102 0.000 1.858 261 A HA -0.176 5.285 4.320 1.902 0.000 0.216 261 A C 2.053 179.402 177.584 -0.391 0.000 1.190 261 A CA 1.008 52.217 52.037 -1.381 0.000 0.617 261 A CB -0.846 17.574 19.000 -0.967 0.000 0.827 261 A HN 0.073 nan 8.150 nan 0.000 0.443 262 F N 0.023 119.729 119.950 -0.406 0.000 2.102 262 F HA -0.129 5.540 4.527 1.904 0.000 0.298 262 F C 2.382 178.124 175.800 -0.097 0.000 1.105 262 F CA 1.231 59.089 58.000 -0.237 0.000 1.239 262 F CB -1.248 37.351 39.000 -0.668 0.000 0.991 262 F HN 0.506 nan 8.300 nan 0.000 0.474 263 E N -0.668 119.553 120.200 0.036 0.000 2.058 263 E HA -0.309 5.182 4.350 1.902 0.000 0.194 263 E C 2.232 178.867 176.600 0.059 0.000 0.997 263 E CA 1.636 58.064 56.400 0.046 0.000 0.801 263 E CB -0.328 29.377 29.700 0.008 0.000 0.746 263 E HN 0.469 nan 8.360 nan 0.000 0.450 264 H N 0.141 119.152 119.070 -0.099 0.000 2.319 264 H HA -0.113 5.584 4.556 1.902 0.000 0.299 264 H C 1.967 177.333 175.328 0.063 0.000 1.092 264 H CA 2.357 58.400 56.048 -0.007 0.000 1.302 264 H CB -0.182 29.578 29.762 -0.003 0.000 1.373 264 H HN 0.216 nan 8.280 nan 0.000 0.497 265 I N 0.039 120.687 120.570 0.130 0.000 2.252 265 I HA -0.227 5.085 4.170 1.902 0.000 0.245 265 I C 2.507 178.729 176.117 0.175 0.000 1.102 265 I CA 1.315 62.727 61.300 0.187 0.000 1.385 265 I CB -0.221 37.949 38.000 0.282 0.000 1.064 265 I HN 0.344 nan 8.210 nan 0.000 0.414 266 V N -2.682 117.324 119.914 0.154 0.000 2.667 266 V HA -0.159 5.102 4.120 1.902 0.000 0.252 266 V C 2.179 178.297 176.094 0.040 0.000 1.065 266 V CA 2.034 64.407 62.300 0.122 0.000 1.083 266 V CB -1.301 30.606 31.823 0.140 0.000 0.692 266 V HN 0.345 nan 8.190 nan 0.000 0.468 267 T N -0.255 114.288 114.554 -0.018 0.000 2.857 267 T HA -0.102 5.389 4.350 1.902 0.000 0.266 267 T C 2.015 176.608 174.700 -0.178 0.000 1.048 267 T CA 1.508 63.563 62.100 -0.075 0.000 1.139 267 T CB -0.300 68.530 68.868 -0.064 0.000 0.874 267 T HN 0.457 nan 8.240 nan 0.000 0.455 268 Q N 0.281 119.885 119.800 -0.326 0.000 2.135 268 Q HA 0.001 5.483 4.340 1.902 0.000 0.204 268 Q C 0.369 175.938 176.000 -0.718 0.000 0.981 268 Q CA 1.171 56.609 55.803 -0.609 0.000 0.856 268 Q CB -0.222 27.978 28.738 -0.895 0.000 0.902 268 Q HN 0.581 nan 8.270 nan 0.000 0.425 269 F N 0.174 120.089 119.950 -0.058 0.000 2.627 269 F HA 0.161 5.831 4.527 1.904 0.000 0.329 269 F C 1.185 176.958 175.800 -0.046 0.000 1.378 269 F CA -0.387 57.587 58.000 -0.043 0.000 1.134 269 F CB 0.508 39.484 39.000 -0.039 0.000 1.229 269 F HN -0.080 nan 8.300 nan 0.000 0.537 270 S N -1.338 114.381 115.700 0.032 0.000 2.496 270 S HA -0.091 5.520 4.470 1.902 0.000 0.224 270 S C 1.538 176.148 174.600 0.016 0.000 0.996 270 S CA 0.845 59.052 58.200 0.012 0.000 0.927 270 S CB -0.149 63.038 63.200 -0.021 0.000 0.774 270 S HN 0.383 nan 8.310 nan 0.000 0.524 271 S N 0.254 115.973 115.700 0.032 0.000 2.701 271 S HA 0.483 6.094 4.470 1.902 0.000 0.242 271 S C 0.161 174.777 174.600 0.027 0.000 1.025 271 S CA 0.008 58.220 58.200 0.020 0.000 1.016 271 S CB 0.004 63.211 63.200 0.013 0.000 0.977 271 S HN 0.700 nan 8.310 nan 0.000 0.546 272 V N -2.897 117.046 119.914 0.049 0.000 3.141 272 V HA 0.777 6.038 4.120 1.902 0.000 0.312 272 V C -3.328 172.761 176.094 -0.009 0.000 1.157 272 V CA -3.095 59.218 62.300 0.022 0.000 1.041 272 V CB 0.816 32.669 31.823 0.050 0.000 1.071 272 V HN -0.082 nan 8.190 nan 0.000 0.441 273 P HA 0.341 nan 4.420 nan 0.000 0.268 273 P C -0.970 176.263 177.300 -0.112 0.000 1.205 273 P CA 0.177 63.222 63.100 -0.091 0.000 0.771 273 P CB 0.955 32.587 31.700 -0.112 0.000 0.858 274 V N 2.500 122.332 119.914 -0.136 0.000 2.668 274 V HA 0.454 5.716 4.120 1.902 0.000 0.304 274 V C -0.747 175.225 176.094 -0.205 0.000 1.071 274 V CA -0.488 61.707 62.300 -0.174 0.000 0.894 274 V CB 1.962 33.734 31.823 -0.086 0.000 1.008 274 V HN 0.533 nan 8.190 nan 0.000 0.425 275 S N 5.690 121.261 115.700 -0.216 0.000 2.457 275 S HA 0.758 6.369 4.470 1.902 0.000 0.289 275 S C -0.894 173.588 174.600 -0.197 0.000 1.163 275 S CA -0.398 57.675 58.200 -0.212 0.000 1.078 275 S CB 1.188 64.279 63.200 -0.182 0.000 0.987 275 S HN 0.877 nan 8.310 nan 0.000 0.482 276 V N 5.931 125.713 119.914 -0.220 0.000 2.447 276 V HA 0.362 5.624 4.120 1.902 0.000 0.292 276 V C 0.106 176.104 176.094 -0.160 0.000 1.021 276 V CA -0.918 61.281 62.300 -0.168 0.000 0.850 276 V CB 1.464 33.209 31.823 -0.130 0.000 1.005 276 V HN 0.778 nan 8.190 nan 0.000 0.426 277 V N 4.913 124.743 119.914 -0.141 0.000 2.540 277 V HA 0.150 5.411 4.120 1.902 0.000 0.297 277 V C 1.065 177.143 176.094 -0.026 0.000 1.024 277 V CA 1.171 63.384 62.300 -0.144 0.000 1.105 277 V CB 1.623 33.245 31.823 -0.336 0.000 0.938 277 V HN 1.029 nan 8.190 nan 0.000 0.482 278 S N 3.378 119.111 115.700 0.056 0.000 2.780 278 S HA 0.147 5.759 4.470 1.902 0.000 0.248 278 S C 0.716 175.430 174.600 0.190 0.000 1.036 278 S CA 0.101 58.444 58.200 0.237 0.000 1.061 278 S CB 0.079 63.447 63.200 0.279 0.000 1.037 278 S HN 1.007 nan 8.310 nan 0.000 0.584 279 D N 0.591 121.056 120.400 0.109 0.000 2.424 279 D HA 0.198 5.979 4.640 1.902 0.000 0.220 279 D C 0.891 177.195 176.300 0.007 0.000 1.150 279 D CA 0.020 54.046 54.000 0.044 0.000 0.831 279 D CB -0.077 40.734 40.800 0.018 0.000 0.981 279 D HN 0.013 nan 8.370 nan 0.000 0.500 280 S N -0.081 115.599 115.700 -0.032 0.000 2.380 280 S HA -0.189 5.423 4.470 1.902 0.000 0.229 280 S C 0.919 175.124 174.600 -0.658 0.000 1.043 280 S CA 1.481 59.451 58.200 -0.383 0.000 1.038 280 S CB -0.265 62.515 63.200 -0.700 0.000 0.872 280 S HN 0.554 nan 8.310 nan 0.000 0.456 281 Y N -0.782 119.542 120.300 0.040 0.000 2.736 281 Y HA 0.392 6.084 4.550 1.903 0.000 0.272 281 Y C 0.188 176.084 175.900 -0.006 0.000 1.118 281 Y CA -0.406 57.696 58.100 0.004 0.000 1.248 281 Y CB 0.821 39.271 38.460 -0.017 0.000 1.437 281 Y HN 0.061 nan 8.280 nan 0.000 0.481 282 D N 0.074 120.547 120.400 0.121 0.000 2.312 282 D HA 0.077 5.859 4.640 1.902 0.000 0.229 282 D C 0.167 176.457 176.300 -0.016 0.000 1.337 282 D CA -0.189 53.839 54.000 0.046 0.000 0.964 282 D CB 0.919 41.778 40.800 0.098 0.000 1.456 282 D HN 0.171 nan 8.370 nan 0.000 0.547 283 I N 3.826 124.284 120.570 -0.186 0.000 2.248 283 I HA -0.218 5.094 4.170 1.902 0.000 0.248 283 I C 1.123 177.142 176.117 -0.162 0.000 1.107 283 I CA 1.784 62.942 61.300 -0.237 0.000 1.373 283 I CB -0.258 37.476 38.000 -0.443 0.000 1.055 283 I HN 0.475 nan 8.210 nan 0.000 0.418 284 Y N -0.220 120.143 120.300 0.105 0.000 2.220 284 Y HA -0.180 5.510 4.550 1.900 0.000 0.291 284 Y C 2.525 178.488 175.900 0.105 0.000 1.129 284 Y CA 1.347 59.505 58.100 0.097 0.000 1.161 284 Y CB -0.769 37.735 38.460 0.074 0.000 0.997 284 Y HN 0.335 nan 8.280 nan 0.000 0.522 285 N N 0.788 119.616 118.700 0.213 0.000 2.120 285 N HA -0.198 5.684 4.740 1.902 0.000 0.188 285 N C 1.862 177.447 175.510 0.125 0.000 1.024 285 N CA 1.472 54.607 53.050 0.141 0.000 0.852 285 N CB -0.342 38.200 38.487 0.092 0.000 1.003 285 N HN 0.260 nan 8.380 nan 0.000 0.424 286 A N -0.154 122.745 122.820 0.133 0.000 1.902 286 A HA -0.138 5.323 4.320 1.902 0.000 0.217 286 A C 2.620 180.361 177.584 0.262 0.000 1.181 286 A CA 1.505 53.636 52.037 0.157 0.000 0.623 286 A CB -1.164 18.000 19.000 0.273 0.000 0.818 286 A HN 0.597 nan 8.150 nan 0.000 0.443 287 C N -1.365 118.131 119.300 0.328 0.000 2.462 287 C HA -0.031 5.570 4.460 1.902 0.000 0.278 287 C C 2.714 177.917 174.990 0.355 0.000 1.253 287 C CA 1.219 60.485 59.018 0.413 0.000 1.713 287 C CB -1.001 26.927 27.740 0.313 0.000 2.049 287 C HN 0.785 nan 8.230 nan 0.000 0.477 288 E N 0.534 120.887 120.200 0.255 0.000 2.046 288 E HA -0.178 5.314 4.350 1.902 0.000 0.190 288 E C 2.273 178.964 176.600 0.151 0.000 0.982 288 E CA 0.962 57.478 56.400 0.193 0.000 0.800 288 E CB -0.062 29.731 29.700 0.154 0.000 0.756 288 E HN 0.538 nan 8.360 nan 0.000 0.449 289 K N -0.018 120.458 120.400 0.126 0.000 2.214 289 K HA 0.043 5.504 4.320 1.902 0.000 0.201 289 K C 2.053 178.690 176.600 0.063 0.000 1.049 289 K CA 0.384 56.715 56.287 0.074 0.000 0.978 289 K CB 0.191 32.716 32.500 0.042 0.000 0.842 289 K HN 0.111 nan 8.250 nan 0.000 0.474 290 I N -0.614 119.983 120.570 0.044 0.000 2.260 290 I HA -0.149 5.163 4.170 1.902 0.000 0.237 290 I C 2.007 178.167 176.117 0.073 0.000 1.075 290 I CA 0.980 62.252 61.300 -0.047 0.000 1.376 290 I CB -0.394 37.460 38.000 -0.243 0.000 1.107 290 I HN 0.232 nan 8.210 nan 0.000 0.420 291 W N 0.919 122.367 121.300 0.247 0.000 2.418 291 W HA -0.003 5.800 4.660 1.905 0.000 0.292 291 W C 2.455 179.147 176.519 0.289 0.000 1.213 291 W CA 0.676 58.172 57.345 0.250 0.000 1.283 291 W CB -0.442 29.147 29.460 0.215 0.000 1.119 291 W HN 0.113 nan 8.180 nan 0.000 0.542 292 G N -0.465 108.601 108.800 0.442 0.000 2.712 292 G HA2 -0.004 5.097 3.960 1.902 0.000 0.212 292 G HA3 -0.004 5.097 3.960 1.902 0.000 0.212 292 G C 1.016 175.930 174.900 0.023 0.000 1.142 292 G CA 0.777 45.997 45.100 0.201 0.000 0.789 292 G HN 0.273 nan 8.290 nan 0.000 0.535 293 E N -0.622 119.636 120.200 0.097 0.000 3.863 293 E HA 0.034 5.525 4.350 1.902 0.000 0.197 293 E C 1.337 178.001 176.600 0.107 0.000 1.299 293 E CA -0.162 56.274 56.400 0.059 0.000 1.522 293 E CB 0.165 29.888 29.700 0.038 0.000 1.732 293 E HN -0.042 nan 8.360 nan 0.000 0.560 294 D N 1.287 121.745 120.400 0.096 0.000 2.116 294 D HA -0.139 5.642 4.640 1.902 0.000 0.193 294 D C 1.634 178.058 176.300 0.205 0.000 0.998 294 D CA 1.344 55.408 54.000 0.107 0.000 0.836 294 D CB 0.135 40.956 40.800 0.034 0.000 0.951 294 D HN 0.133 nan 8.370 nan 0.000 0.449 295 L N -0.155 121.176 121.223 0.180 0.000 2.808 295 L HA 0.272 5.753 4.340 1.902 0.000 0.246 295 L C 2.028 178.967 176.870 0.115 0.000 1.153 295 L CA -0.251 54.655 54.840 0.110 0.000 0.956 295 L CB 0.290 42.425 42.059 0.127 0.000 1.270 295 L HN -0.115 nan 8.230 nan 0.000 0.528 296 R N 1.031 121.675 120.500 0.241 0.000 2.153 296 R HA -0.242 5.239 4.340 1.902 0.000 0.252 296 R C 2.373 178.769 176.300 0.160 0.000 1.158 296 R CA 2.249 58.494 56.100 0.241 0.000 0.975 296 R CB -0.259 30.097 30.300 0.093 0.000 0.871 296 R HN 0.583 nan 8.270 nan 0.000 0.450 297 H N -0.568 118.553 119.070 0.086 0.000 2.491 297 H HA -0.069 5.628 4.556 1.903 0.000 0.290 297 H C 1.659 177.006 175.328 0.031 0.000 1.050 297 H CA 0.977 57.049 56.048 0.039 0.000 1.309 297 H CB -0.271 29.507 29.762 0.027 0.000 1.392 297 H HN 0.323 nan 8.280 nan 0.000 0.554 298 L N 0.132 121.129 121.223 -0.377 0.000 2.567 298 L HA 0.161 5.643 4.340 1.902 0.000 0.225 298 L C 2.048 178.855 176.870 -0.105 0.000 1.119 298 L CA 0.113 54.815 54.840 -0.229 0.000 0.871 298 L CB 0.130 42.043 42.059 -0.243 0.000 1.036 298 L HN 0.160 nan 8.230 nan 0.000 0.459 299 I N -0.672 119.853 120.570 -0.076 0.000 2.685 299 I HA -0.095 5.217 4.170 1.902 0.000 0.251 299 I C 2.321 178.188 176.117 -0.416 0.000 1.102 299 I CA 0.617 61.846 61.300 -0.119 0.000 1.442 299 I CB 0.003 38.030 38.000 0.044 0.000 1.194 299 I HN 0.048 nan 8.210 nan 0.000 0.448 300 V N -0.794 118.866 119.914 -0.424 0.000 3.026 300 V HA -0.131 5.130 4.120 1.902 0.000 0.265 300 V C 2.144 177.866 176.094 -0.619 0.000 1.121 300 V CA 1.890 63.656 62.300 -0.889 0.000 1.142 300 V CB -1.106 30.552 31.823 -0.275 0.000 0.730 300 V HN 0.500 nan 8.190 nan 0.000 0.503 301 S N -0.670 114.839 115.700 -0.318 0.000 2.548 301 S HA 0.226 5.837 4.470 1.902 0.000 0.215 301 S C 1.049 175.576 174.600 -0.121 0.000 0.976 301 S CA -0.476 57.631 58.200 -0.155 0.000 0.908 301 S CB -0.267 62.889 63.200 -0.073 0.000 0.781 301 S HN 0.676 nan 8.310 nan 0.000 0.519 302 R N 2.152 122.556 120.500 -0.160 0.000 2.679 302 R HA 0.373 5.854 4.340 1.902 0.000 0.269 302 R C 0.581 176.894 176.300 0.021 0.000 1.076 302 R CA 0.118 56.185 56.100 -0.055 0.000 1.160 302 R CB 0.430 30.707 30.300 -0.038 0.000 1.054 302 R HN 0.388 nan 8.270 nan 0.000 0.507 303 S N 0.030 115.745 115.700 0.025 0.000 2.632 303 S HA 0.029 5.640 4.470 1.902 0.000 0.267 303 S C 1.061 175.689 174.600 0.047 0.000 1.276 303 S CA -0.505 57.718 58.200 0.037 0.000 0.998 303 S CB 1.414 64.621 63.200 0.012 0.000 0.953 303 S HN 0.547 nan 8.310 nan 0.000 0.547 304 T N 2.415 116.990 114.554 0.035 0.000 2.915 304 T HA -0.057 5.435 4.350 1.902 0.000 0.269 304 T C 1.405 176.090 174.700 -0.026 0.000 1.071 304 T CA 1.532 63.635 62.100 0.005 0.000 1.132 304 T CB -0.288 68.580 68.868 -0.000 0.000 0.878 304 T HN 0.664 nan 8.240 nan 0.000 0.479 305 Q N 0.300 120.085 119.800 -0.025 0.000 2.403 305 Q HA 0.420 5.902 4.340 1.902 0.000 0.203 305 Q C 0.922 176.891 176.000 -0.050 0.000 0.932 305 Q CA 0.232 56.007 55.803 -0.046 0.000 0.945 305 Q CB 0.464 29.178 28.738 -0.040 0.000 1.045 305 Q HN 0.410 nan 8.270 nan 0.000 0.511 306 A N 1.081 123.880 122.820 -0.036 0.000 3.365 306 A HA 0.333 5.794 4.320 1.902 0.000 0.258 306 A C -2.627 174.931 177.584 -0.044 0.000 0.964 306 A CA -1.158 50.857 52.037 -0.037 0.000 0.988 306 A CB 0.259 19.249 19.000 -0.016 0.000 1.193 306 A HN -0.017 nan 8.150 nan 0.000 0.508 307 P HA 0.201 nan 4.420 nan 0.000 0.272 307 P C -0.092 177.124 177.300 -0.140 0.000 1.230 307 P CA -0.158 62.893 63.100 -0.081 0.000 0.788 307 P CB 1.014 32.645 31.700 -0.115 0.000 0.949 308 L N 2.709 123.817 121.223 -0.192 0.000 2.360 308 L HA 0.248 5.729 4.340 1.902 0.000 0.276 308 L C -0.221 176.428 176.870 -0.368 0.000 1.121 308 L CA 0.082 54.722 54.840 -0.334 0.000 0.845 308 L CB -0.555 41.199 42.059 -0.509 0.000 1.143 308 L HN 0.176 nan 8.230 nan 0.000 0.452 309 I N 6.969 127.328 120.570 -0.352 0.000 2.337 309 I HA 0.294 5.606 4.170 1.902 0.000 0.285 309 I C -0.109 175.781 176.117 -0.377 0.000 1.041 309 I CA -0.276 60.830 61.300 -0.322 0.000 1.199 309 I CB 0.670 38.529 38.000 -0.234 0.000 1.370 309 I HN 0.512 nan 8.210 nan 0.000 0.470 310 I N 6.031 126.344 120.570 -0.428 0.000 2.556 310 I HA 0.167 5.479 4.170 1.902 0.000 0.284 310 I C 0.689 176.664 176.117 -0.235 0.000 1.114 310 I CA 0.024 61.083 61.300 -0.402 0.000 1.418 310 I CB 0.501 38.256 38.000 -0.407 0.000 1.394 310 I HN 0.562 nan 8.210 nan 0.000 0.552 311 R N 9.043 129.444 120.500 -0.165 0.000 2.312 311 R HA 0.390 5.871 4.340 1.902 0.000 0.310 311 R C -2.527 173.741 176.300 -0.053 0.000 1.064 311 R CA -1.687 54.352 56.100 -0.102 0.000 0.983 311 R CB 0.989 31.242 30.300 -0.077 0.000 1.139 311 R HN 0.289 nan 8.270 nan 0.000 0.536 312 P HA 0.079 nan 4.420 nan 0.000 0.270 312 P C -0.752 176.556 177.300 0.013 0.000 1.223 312 P CA 0.108 63.192 63.100 -0.025 0.000 0.785 312 P CB 0.961 32.637 31.700 -0.041 0.000 0.923 313 D N -0.764 119.659 120.400 0.038 0.000 2.881 313 D HA 0.185 5.966 4.640 1.902 0.000 0.325 313 D C -0.919 175.416 176.300 0.059 0.000 1.621 313 D CA -0.076 53.974 54.000 0.083 0.000 0.785 313 D CB -0.032 40.870 40.800 0.170 0.000 1.233 313 D HN 0.406 nan 8.370 nan 0.000 0.447 314 S N -1.879 113.837 115.700 0.027 0.000 2.633 314 S HA 0.705 6.316 4.470 1.902 0.000 0.271 314 S C 0.216 174.827 174.600 0.018 0.000 1.112 314 S CA -0.366 57.842 58.200 0.014 0.000 0.828 314 S CB 1.126 64.319 63.200 -0.012 0.000 1.086 314 S HN 0.826 nan 8.310 nan 0.000 0.461 315 G N 1.371 110.190 108.800 0.031 0.000 2.757 315 G HA2 -0.048 5.053 3.960 1.902 0.000 0.638 315 G HA3 -0.048 5.053 3.960 1.902 0.000 0.638 315 G C -0.509 174.427 174.900 0.060 0.000 1.344 315 G CA -0.236 44.899 45.100 0.057 0.000 0.855 315 G HN 1.498 nan 8.290 nan 0.000 0.537 316 N N 1.213 119.955 118.700 0.069 0.000 2.411 316 N HA 0.355 6.236 4.740 1.902 0.000 0.265 316 N C -0.501 175.047 175.510 0.063 0.000 1.266 316 N CA -0.389 52.697 53.050 0.060 0.000 0.889 316 N CB 0.958 39.481 38.487 0.060 0.000 1.069 316 N HN 0.207 nan 8.380 nan 0.000 0.476 317 P HA -0.212 nan 4.420 nan 0.000 0.215 317 P C 1.447 178.783 177.300 0.061 0.000 1.157 317 P CA 0.875 64.010 63.100 0.060 0.000 0.868 317 P CB 0.167 31.904 31.700 0.062 0.000 0.788 318 L N -0.318 120.939 121.223 0.056 0.000 2.027 318 L HA -0.173 5.309 4.340 1.902 0.000 0.206 318 L C 1.645 178.547 176.870 0.053 0.000 1.074 318 L CA 2.104 56.976 54.840 0.052 0.000 0.745 318 L CB -0.828 41.258 42.059 0.044 0.000 0.898 318 L HN -0.047 nan 8.230 nan 0.000 0.433 319 D N -0.718 119.717 120.400 0.060 0.000 2.144 319 D HA -0.160 5.622 4.640 1.902 0.000 0.199 319 D C 2.040 178.392 176.300 0.087 0.000 0.984 319 D CA 1.705 55.744 54.000 0.064 0.000 0.834 319 D CB -0.176 40.663 40.800 0.065 0.000 0.955 319 D HN 0.346 nan 8.370 nan 0.000 0.465 320 T N 0.525 115.148 114.554 0.115 0.000 2.770 320 T HA -0.068 5.423 4.350 1.902 0.000 0.263 320 T C 2.309 177.074 174.700 0.108 0.000 1.039 320 T CA 0.618 62.824 62.100 0.178 0.000 1.142 320 T CB -0.384 68.564 68.868 0.132 0.000 0.868 320 T HN -0.052 nan 8.240 nan 0.000 0.435 321 V N 1.850 121.784 119.914 0.032 0.000 2.282 321 V HA -0.174 5.088 4.120 1.902 0.000 0.249 321 V C 2.516 178.555 176.094 -0.091 0.000 1.057 321 V CA 1.646 63.917 62.300 -0.048 0.000 1.032 321 V CB -0.707 31.078 31.823 -0.062 0.000 0.645 321 V HN 0.448 nan 8.190 nan 0.000 0.447 322 L N -0.533 120.665 121.223 -0.043 0.000 2.131 322 L HA -0.206 5.276 4.340 1.902 0.000 0.210 322 L C 2.542 179.387 176.870 -0.042 0.000 1.092 322 L CA 1.862 56.669 54.840 -0.056 0.000 0.759 322 L CB -0.561 41.520 42.059 0.037 0.000 0.903 322 L HN 0.334 nan 8.230 nan 0.000 0.435 323 K N -0.033 120.372 120.400 0.008 0.000 2.116 323 K HA -0.090 5.371 4.320 1.902 0.000 0.203 323 K C 2.056 178.691 176.600 0.059 0.000 1.052 323 K CA 0.708 56.999 56.287 0.006 0.000 0.952 323 K CB 0.172 32.616 32.500 -0.092 0.000 0.729 323 K HN 0.006 nan 8.250 nan 0.000 0.446 324 V N 1.918 121.895 119.914 0.106 0.000 2.287 324 V HA -0.280 4.982 4.120 1.902 0.000 0.248 324 V C 2.277 178.321 176.094 -0.083 0.000 1.053 324 V CA 1.707 64.048 62.300 0.069 0.000 1.027 324 V CB -0.348 31.486 31.823 0.020 0.000 0.646 324 V HN 0.325 nan 8.190 nan 0.000 0.447 325 L N -0.274 120.782 121.223 -0.280 0.000 2.046 325 L HA -0.234 5.247 4.340 1.902 0.000 0.208 325 L C 2.591 179.275 176.870 -0.310 0.000 1.077 325 L CA 2.135 56.597 54.840 -0.630 0.000 0.747 325 L CB -0.648 40.565 42.059 -1.411 0.000 0.896 325 L HN 0.438 nan 8.230 nan 0.000 0.432 326 E N 0.813 120.991 120.200 -0.036 0.000 2.085 326 E HA -0.251 5.240 4.350 1.902 0.000 0.194 326 E C 2.281 178.983 176.600 0.169 0.000 0.994 326 E CA 1.435 57.957 56.400 0.203 0.000 0.801 326 E CB -0.057 29.745 29.700 0.171 0.000 0.743 326 E HN 0.453 nan 8.360 nan 0.000 0.453 327 I N 0.727 121.368 120.570 0.117 0.000 2.142 327 I HA -0.314 4.997 4.170 1.902 0.000 0.240 327 I C 2.460 178.693 176.117 0.195 0.000 1.078 327 I CA 1.065 62.453 61.300 0.148 0.000 1.343 327 I CB -0.257 37.845 38.000 0.171 0.000 1.046 327 I HN 0.218 nan 8.210 nan 0.000 0.405 328 L N 0.313 121.649 121.223 0.188 0.000 2.083 328 L HA -0.139 5.343 4.340 1.902 0.000 0.209 328 L C 2.572 179.649 176.870 0.346 0.000 1.083 328 L CA 1.463 56.478 54.840 0.292 0.000 0.752 328 L CB -1.095 41.027 42.059 0.105 0.000 0.899 328 L HN 0.342 nan 8.230 nan 0.000 0.433 329 G N -0.314 108.670 108.800 0.307 0.000 2.534 329 G HA2 -0.174 4.927 3.960 1.902 0.000 0.217 329 G HA3 -0.174 4.927 3.960 1.902 0.000 0.217 329 G C 1.684 176.746 174.900 0.270 0.000 1.128 329 G CA 0.267 45.609 45.100 0.403 0.000 0.784 329 G HN 0.314 nan 8.290 nan 0.000 0.542 330 K N -0.151 120.379 120.400 0.216 0.000 2.314 330 K HA 0.101 5.562 4.320 1.902 0.000 0.198 330 K C 1.885 178.538 176.600 0.088 0.000 1.045 330 K CA 0.391 56.760 56.287 0.136 0.000 0.988 330 K CB 0.236 32.803 32.500 0.112 0.000 0.783 330 K HN 0.009 nan 8.250 nan 0.000 0.484 331 K N -0.255 120.204 120.400 0.099 0.000 2.352 331 K HA 0.168 5.630 4.320 1.902 0.000 0.194 331 K C -0.012 176.382 176.600 -0.343 0.000 1.038 331 K CA 0.449 56.672 56.287 -0.107 0.000 1.023 331 K CB 0.451 32.867 32.500 -0.139 0.000 0.840 331 K HN -0.036 nan 8.250 nan 0.000 0.519 332 F N 1.506 121.532 119.950 0.127 0.000 2.577 332 F HA 0.319 5.989 4.527 1.904 0.000 0.318 332 F C -2.154 173.716 175.800 0.116 0.000 1.065 332 F CA -2.741 55.343 58.000 0.141 0.000 0.929 332 F CB 1.580 40.669 39.000 0.148 0.000 1.237 332 F HN -0.239 nan 8.300 nan 0.000 0.468 333 P HA 0.097 nan 4.420 nan 0.000 0.269 333 P C -0.610 176.774 177.300 0.141 0.000 1.263 333 P CA 0.185 63.391 63.100 0.176 0.000 0.813 333 P CB 0.424 32.220 31.700 0.160 0.000 0.868 334 V N 4.568 124.558 119.914 0.127 0.000 2.546 334 V HA 0.283 5.545 4.120 1.902 0.000 0.284 334 V C 1.282 177.403 176.094 0.044 0.000 1.050 334 V CA -0.001 62.359 62.300 0.101 0.000 0.981 334 V CB 1.177 33.067 31.823 0.110 0.000 0.990 334 V HN 0.644 nan 8.190 nan 0.000 0.474 335 T N 1.235 115.807 114.554 0.029 0.000 2.937 335 T HA 0.615 6.107 4.350 1.902 0.000 0.283 335 T C -0.527 174.165 174.700 -0.012 0.000 1.012 335 T CA -0.780 61.324 62.100 0.007 0.000 0.997 335 T CB 2.001 70.876 68.868 0.010 0.000 1.136 335 T HN 0.695 nan 8.240 nan 0.000 0.551 336 E N 1.353 121.542 120.200 -0.018 0.000 2.165 336 E HA 0.319 5.810 4.350 1.902 0.000 0.266 336 E C -0.326 176.275 176.600 0.001 0.000 0.889 336 E CA -0.888 55.495 56.400 -0.028 0.000 0.756 336 E CB 0.893 30.558 29.700 -0.058 0.000 1.131 336 E HN 0.743 nan 8.360 nan 0.000 0.411 337 N N 1.752 120.472 118.700 0.033 0.000 2.322 337 N HA -0.060 5.821 4.740 1.902 0.000 0.270 337 N C 0.772 176.310 175.510 0.046 0.000 1.286 337 N CA 0.272 53.350 53.050 0.047 0.000 0.948 337 N CB 0.452 38.981 38.487 0.071 0.000 1.164 337 N HN 0.342 nan 8.380 nan 0.000 0.551 338 S N -2.079 113.649 115.700 0.046 0.000 2.515 338 S HA 0.015 5.627 4.470 1.902 0.000 0.231 338 S C 0.941 175.573 174.600 0.054 0.000 0.987 338 S CA 0.439 58.660 58.200 0.036 0.000 0.936 338 S CB -0.182 63.034 63.200 0.028 0.000 0.766 338 S HN 0.457 nan 8.310 nan 0.000 0.528 339 K N 0.861 121.324 120.400 0.106 0.000 2.404 339 K HA 0.375 5.837 4.320 1.902 0.000 0.194 339 K C 1.361 178.046 176.600 0.143 0.000 1.023 339 K CA 0.298 56.690 56.287 0.176 0.000 1.094 339 K CB -0.333 32.337 32.500 0.283 0.000 0.841 339 K HN 0.518 nan 8.250 nan 0.000 0.523 340 G N -0.030 108.791 108.800 0.036 0.000 2.157 340 G HA2 -0.284 4.818 3.960 1.902 0.000 0.239 340 G HA3 -0.284 4.818 3.960 1.902 0.000 0.239 340 G C -0.344 174.381 174.900 -0.292 0.000 0.982 340 G CA -0.143 44.872 45.100 -0.142 0.000 0.650 340 G HN 0.232 nan 8.290 nan 0.000 0.527 341 Y N 0.735 121.007 120.300 -0.048 0.000 2.352 341 Y HA 0.595 6.301 4.550 1.927 0.000 0.326 341 Y C 1.056 176.900 175.900 -0.093 0.000 1.166 341 Y CA -0.636 57.425 58.100 -0.065 0.000 1.182 341 Y CB 1.015 39.475 38.460 -0.001 0.000 1.216 341 Y HN 0.014 nan 8.280 nan 0.000 0.474 342 K N 2.259 122.620 120.400 -0.066 0.000 2.270 342 K HA 0.427 5.889 4.320 1.902 0.000 0.276 342 K C -1.401 175.261 176.600 0.103 0.000 1.023 342 K CA -0.508 55.679 56.287 -0.165 0.000 0.955 342 K CB 0.728 32.797 32.500 -0.718 0.000 0.975 342 K HN 0.333 nan 8.250 nan 0.000 0.471 343 L N 4.026 125.316 121.223 0.112 0.000 2.439 343 L HA 0.347 5.829 4.340 1.902 0.000 0.270 343 L C -1.075 175.870 176.870 0.124 0.000 0.972 343 L CA -0.448 54.478 54.840 0.144 0.000 0.836 343 L CB 1.309 43.410 42.059 0.070 0.000 1.255 343 L HN 0.559 nan 8.230 nan 0.000 0.404 344 L N 5.381 126.673 121.223 0.114 0.000 2.476 344 L HA 0.345 5.827 4.340 1.902 0.000 0.264 344 L C -1.767 175.016 176.870 -0.146 0.000 1.224 344 L CA -1.587 53.252 54.840 -0.002 0.000 0.821 344 L CB 0.032 42.032 42.059 -0.098 0.000 1.101 344 L HN 0.509 nan 8.230 nan 0.000 0.488 345 P HA 0.033 nan 4.420 nan 0.000 0.269 345 P C -2.080 174.854 177.300 -0.609 0.000 1.215 345 P CA -1.097 61.678 63.100 -0.543 0.000 0.780 345 P CB -0.090 30.935 31.700 -1.126 0.000 0.898 346 P HA -0.153 nan 4.420 nan 0.000 0.225 346 P C 0.828 177.997 177.300 -0.219 0.000 1.148 346 P CA 1.510 64.463 63.100 -0.246 0.000 0.779 346 P CB -0.431 31.202 31.700 -0.111 0.000 0.780 347 Y N -1.438 118.804 120.300 -0.098 0.000 2.529 347 Y HA 0.487 6.180 4.550 1.905 0.000 0.290 347 Y C 0.507 176.273 175.900 -0.224 0.000 1.177 347 Y CA -1.130 56.891 58.100 -0.132 0.000 1.305 347 Y CB -0.777 37.626 38.460 -0.095 0.000 1.047 347 Y HN -0.206 nan 8.280 nan 0.000 0.522 348 L N 1.610 122.640 121.223 -0.321 0.000 2.438 348 L HA 0.686 6.168 4.340 1.902 0.000 0.270 348 L C -1.250 175.420 176.870 -0.332 0.000 0.972 348 L CA -1.056 53.568 54.840 -0.359 0.000 0.831 348 L CB 1.508 43.240 42.059 -0.545 0.000 1.273 348 L HN 0.016 nan 8.230 nan 0.000 0.405 349 R N 2.842 123.154 120.500 -0.312 0.000 2.831 349 R HA 0.807 6.288 4.340 1.902 0.000 0.266 349 R C -1.688 174.439 176.300 -0.288 0.000 1.051 349 R CA -0.825 55.116 56.100 -0.265 0.000 0.943 349 R CB 2.251 32.423 30.300 -0.212 0.000 1.228 349 R HN 0.377 nan 8.270 nan 0.000 0.467 350 V N 1.718 121.472 119.914 -0.267 0.000 2.656 350 V HA 0.569 5.831 4.120 1.902 0.000 0.307 350 V C -0.285 175.640 176.094 -0.282 0.000 1.051 350 V CA -0.846 61.290 62.300 -0.273 0.000 0.893 350 V CB 2.320 33.976 31.823 -0.278 0.000 0.999 350 V HN 0.635 nan 8.190 nan 0.000 0.426 351 I N 3.352 123.772 120.570 -0.250 0.000 2.436 351 I HA 0.572 5.883 4.170 1.902 0.000 0.289 351 I C -0.699 175.286 176.117 -0.219 0.000 1.010 351 I CA -0.602 60.544 61.300 -0.258 0.000 1.098 351 I CB 1.910 39.810 38.000 -0.166 0.000 1.266 351 I HN 0.759 nan 8.210 nan 0.000 0.434 352 Q N 5.445 125.066 119.800 -0.298 0.000 2.340 352 Q HA 0.527 6.008 4.340 1.902 0.000 0.259 352 Q C -0.036 175.934 176.000 -0.051 0.000 0.964 352 Q CA -0.187 55.529 55.803 -0.144 0.000 0.900 352 Q CB 1.682 30.341 28.738 -0.132 0.000 1.228 352 Q HN 0.768 nan 8.270 nan 0.000 0.449 353 G N 2.976 111.796 108.800 0.033 0.000 3.596 353 G HA2 0.114 5.216 3.960 1.902 0.000 0.274 353 G HA3 0.114 5.216 3.960 1.902 0.000 0.274 353 G C -0.677 174.318 174.900 0.158 0.000 1.007 353 G CA -0.176 44.978 45.100 0.089 0.000 0.825 353 G HN 0.608 nan 8.290 nan 0.000 0.508 354 D N -0.883 119.582 120.400 0.107 0.000 2.375 354 D HA 0.463 6.245 4.640 1.902 0.000 0.247 354 D C 1.089 177.431 176.300 0.070 0.000 1.061 354 D CA 0.285 54.343 54.000 0.096 0.000 0.834 354 D CB 1.189 42.038 40.800 0.083 0.000 1.247 354 D HN 0.252 nan 8.370 nan 0.000 0.489 355 G N 2.266 111.101 108.800 0.059 0.000 2.179 355 G HA2 -0.214 4.887 3.960 1.902 0.000 0.257 355 G HA3 -0.214 4.887 3.960 1.902 0.000 0.257 355 G C 0.104 175.020 174.900 0.027 0.000 1.010 355 G CA 0.339 45.464 45.100 0.041 0.000 0.736 355 G HN 0.570 nan 8.290 nan 0.000 0.513 356 V N 1.790 121.717 119.914 0.021 0.000 2.408 356 V HA 0.557 5.818 4.120 1.902 0.000 0.267 356 V C 0.315 176.380 176.094 -0.048 0.000 1.047 356 V CA 0.270 62.559 62.300 -0.019 0.000 0.937 356 V CB 1.103 32.919 31.823 -0.013 0.000 0.999 356 V HN 0.642 nan 8.190 nan 0.000 0.472 357 D N 3.208 123.570 120.400 -0.064 0.000 2.732 357 D HA 0.272 6.054 4.640 1.902 0.000 0.292 357 D C 0.941 177.187 176.300 -0.090 0.000 1.135 357 D CA -0.878 53.088 54.000 -0.056 0.000 1.071 357 D CB 1.232 42.027 40.800 -0.009 0.000 1.457 357 D HN 0.272 nan 8.370 nan 0.000 0.547 358 I N 0.032 120.573 120.570 -0.048 0.000 2.264 358 I HA -0.264 5.047 4.170 1.902 0.000 0.248 358 I C 1.090 177.156 176.117 -0.084 0.000 1.111 358 I CA 1.381 62.644 61.300 -0.063 0.000 1.382 358 I CB -0.137 37.870 38.000 0.012 0.000 1.060 358 I HN 0.257 nan 8.210 nan 0.000 0.418 359 N N 0.436 119.106 118.700 -0.050 0.000 2.106 359 N HA -0.175 5.707 4.740 1.902 0.000 0.188 359 N C 1.906 177.372 175.510 -0.074 0.000 1.029 359 N CA 2.264 55.284 53.050 -0.051 0.000 0.848 359 N CB -0.878 37.598 38.487 -0.018 0.000 1.007 359 N HN 0.527 nan 8.380 nan 0.000 0.423 360 T N -0.100 114.411 114.554 -0.073 0.000 2.951 360 T HA 0.007 5.498 4.350 1.902 0.000 0.268 360 T C 2.101 176.713 174.700 -0.146 0.000 1.073 360 T CA 0.329 62.386 62.100 -0.072 0.000 1.134 360 T CB -0.468 68.381 68.868 -0.032 0.000 0.884 360 T HN 0.113 nan 8.240 nan 0.000 0.479 361 L N 0.648 121.715 121.223 -0.261 0.000 2.046 361 L HA -0.135 5.346 4.340 1.902 0.000 0.208 361 L C 2.942 179.566 176.870 -0.410 0.000 1.077 361 L CA 2.045 56.565 54.840 -0.534 0.000 0.747 361 L CB -0.493 41.166 42.059 -0.666 0.000 0.896 361 L HN 0.318 nan 8.230 nan 0.000 0.432 362 Q N 0.419 120.054 119.800 -0.275 0.000 2.050 362 Q HA -0.318 5.163 4.340 1.902 0.000 0.202 362 Q C 2.030 177.900 176.000 -0.217 0.000 0.980 362 Q CA 2.399 58.055 55.803 -0.244 0.000 0.840 362 Q CB -0.371 28.284 28.738 -0.137 0.000 0.898 362 Q HN 0.630 nan 8.270 nan 0.000 0.424 363 E N -0.374 119.748 120.200 -0.131 0.000 2.058 363 E HA -0.211 5.281 4.350 1.902 0.000 0.194 363 E C 1.930 178.492 176.600 -0.064 0.000 0.997 363 E CA 1.614 57.970 56.400 -0.073 0.000 0.801 363 E CB -0.258 29.422 29.700 -0.034 0.000 0.746 363 E HN 0.575 nan 8.360 nan 0.000 0.450 364 I N 0.976 121.513 120.570 -0.054 0.000 2.202 364 I HA -0.236 5.075 4.170 1.902 0.000 0.242 364 I C 2.685 178.803 176.117 0.002 0.000 1.091 364 I CA 1.231 62.551 61.300 0.033 0.000 1.368 364 I CB -0.412 37.701 38.000 0.189 0.000 1.058 364 I HN 0.185 nan 8.210 nan 0.000 0.410 365 V N -0.762 119.076 119.914 -0.127 0.000 2.427 365 V HA -0.227 5.035 4.120 1.902 0.000 0.248 365 V C 2.376 178.262 176.094 -0.347 0.000 1.051 365 V CA 2.069 64.222 62.300 -0.246 0.000 1.048 365 V CB -0.797 30.766 31.823 -0.434 0.000 0.666 365 V HN 0.401 nan 8.190 nan 0.000 0.456 366 E N 2.192 122.148 120.200 -0.406 0.000 2.051 366 E HA -0.017 5.474 4.350 1.902 0.000 0.192 366 E C 2.187 178.829 176.600 0.070 0.000 0.991 366 E CA 2.043 58.392 56.400 -0.085 0.000 0.799 366 E CB -1.182 28.505 29.700 -0.021 0.000 0.748 366 E HN 0.563 nan 8.360 nan 0.000 0.449 367 G N 0.249 109.074 108.800 0.042 0.000 2.422 367 G HA2 -0.259 4.842 3.960 1.902 0.000 0.218 367 G HA3 -0.259 4.842 3.960 1.902 0.000 0.218 367 G C 1.656 176.645 174.900 0.149 0.000 1.146 367 G CA 1.081 46.236 45.100 0.090 0.000 0.769 367 G HN 0.250 nan 8.290 nan 0.000 0.547 368 M N 0.113 119.803 119.600 0.149 0.000 2.065 368 M HA -0.054 5.567 4.480 1.902 0.000 0.259 368 M C 2.552 179.045 176.300 0.322 0.000 1.069 368 M CA 1.921 57.369 55.300 0.246 0.000 1.110 368 M CB -0.310 32.405 32.600 0.190 0.000 1.328 368 M HN 0.227 nan 8.290 nan 0.000 0.405 369 K N 0.234 120.802 120.400 0.281 0.000 2.074 369 K HA -0.285 5.177 4.320 1.902 0.000 0.209 369 K C 1.984 178.794 176.600 0.350 0.000 1.048 369 K CA 1.899 58.399 56.287 0.355 0.000 0.926 369 K CB -0.087 32.631 32.500 0.364 0.000 0.713 369 K HN 0.181 nan 8.250 nan 0.000 0.444 370 Q N 0.503 120.451 119.800 0.248 0.000 2.135 370 Q HA -0.081 5.400 4.340 1.902 0.000 0.204 370 Q C 1.142 177.233 176.000 0.151 0.000 0.981 370 Q CA 1.536 57.445 55.803 0.177 0.000 0.856 370 Q CB 0.236 29.060 28.738 0.144 0.000 0.902 370 Q HN 0.062 nan 8.270 nan 0.000 0.425 371 K N -0.572 119.948 120.400 0.201 0.000 2.437 371 K HA 0.115 5.577 4.320 1.902 0.000 0.198 371 K C -0.141 176.483 176.600 0.040 0.000 1.024 371 K CA 0.019 56.412 56.287 0.176 0.000 1.148 371 K CB 0.621 33.321 32.500 0.332 0.000 0.860 371 K HN 0.256 nan 8.250 nan 0.000 0.515 372 M N -1.684 117.973 119.600 0.096 0.000 2.818 372 M HA -0.201 5.421 4.480 1.902 0.000 0.204 372 M C -1.079 175.211 176.300 -0.017 0.000 0.552 372 M CA 0.758 56.031 55.300 -0.044 0.000 0.687 372 M CB -2.653 29.752 32.600 -0.324 0.000 2.512 372 M HN 0.163 nan 8.290 nan 0.000 0.563 373 W N 0.752 122.219 121.300 0.279 0.000 2.361 373 W HA 0.552 6.346 4.660 1.890 0.000 0.309 373 W C 1.008 177.648 176.519 0.201 0.000 1.122 373 W CA -0.348 57.116 57.345 0.199 0.000 1.208 373 W CB 1.075 30.599 29.460 0.106 0.000 1.246 373 W HN 0.227 nan 8.180 nan 0.000 0.490 374 S N 3.281 119.222 115.700 0.401 0.000 2.549 374 S HA 0.011 5.622 4.470 1.902 0.000 0.286 374 S C 1.189 175.873 174.600 0.141 0.000 1.314 374 S CA -0.477 57.828 58.200 0.174 0.000 1.062 374 S CB 0.376 63.666 63.200 0.150 0.000 0.865 374 S HN 0.394 nan 8.310 nan 0.000 0.498 375 I N 4.463 125.071 120.570 0.063 0.000 2.850 375 I HA -0.073 5.239 4.170 1.902 0.000 0.266 375 I C 2.062 178.213 176.117 0.056 0.000 1.257 375 I CA 0.974 62.322 61.300 0.081 0.000 1.465 375 I CB -1.713 36.355 38.000 0.112 0.000 1.091 375 I HN 0.757 nan 8.210 nan 0.000 0.467 376 E N 0.826 121.054 120.200 0.047 0.000 2.171 376 E HA -0.214 5.277 4.350 1.902 0.000 0.197 376 E C 1.616 178.215 176.600 -0.002 0.000 0.997 376 E CA 1.014 57.431 56.400 0.028 0.000 0.810 376 E CB -0.178 29.539 29.700 0.028 0.000 0.738 376 E HN 0.561 nan 8.360 nan 0.000 0.467 377 N N 0.257 118.962 118.700 0.009 0.000 2.459 377 N HA -0.035 5.846 4.740 1.902 0.000 0.181 377 N C 0.304 175.728 175.510 -0.144 0.000 1.046 377 N CA 0.562 53.579 53.050 -0.054 0.000 0.904 377 N CB 0.317 38.790 38.487 -0.023 0.000 0.964 377 N HN 0.124 nan 8.380 nan 0.000 0.444 378 I N -0.084 120.396 120.570 -0.150 0.000 2.646 378 I HA 0.527 5.838 4.170 1.902 0.000 0.299 378 I C -1.058 174.876 176.117 -0.305 0.000 1.036 378 I CA -0.937 60.183 61.300 -0.300 0.000 1.074 378 I CB 1.897 39.675 38.000 -0.372 0.000 1.258 378 I HN -0.096 nan 8.210 nan 0.000 0.430 379 A N 5.339 127.891 122.820 -0.448 0.000 2.479 379 A HA 0.872 6.334 4.320 1.902 0.000 0.296 379 A C -1.702 175.476 177.584 -0.675 0.000 1.121 379 A CA -0.420 51.409 52.037 -0.347 0.000 0.743 379 A CB 0.887 19.800 19.000 -0.145 0.000 1.323 379 A HN 0.492 nan 8.150 nan 0.000 0.415 380 F N -0.345 119.518 119.950 -0.146 0.000 2.561 380 F HA 0.683 6.358 4.527 1.913 0.000 0.321 380 F C 0.808 176.378 175.800 -0.384 0.000 1.065 380 F CA -0.344 57.520 58.000 -0.227 0.000 0.934 380 F CB 2.723 41.601 39.000 -0.204 0.000 1.215 380 F HN 0.750 nan 8.300 nan 0.000 0.471 381 G N 0.221 108.766 108.800 -0.424 0.000 2.566 381 G HA2 0.528 5.629 3.960 1.902 0.000 0.311 381 G HA3 0.528 5.629 3.960 1.902 0.000 0.311 381 G C -1.686 172.794 174.900 -0.701 0.000 1.322 381 G CA -0.725 43.629 45.100 -1.243 0.000 0.969 381 G HN 0.612 nan 8.290 nan 0.000 0.490 382 S N 0.437 115.826 115.700 -0.519 0.000 2.575 382 S HA 0.726 6.337 4.470 1.902 0.000 0.278 382 S C 0.706 175.271 174.600 -0.057 0.000 1.139 382 S CA 0.196 58.279 58.200 -0.195 0.000 0.954 382 S CB 1.469 64.555 63.200 -0.189 0.000 1.054 382 S HN 1.018 nan 8.310 nan 0.000 0.483 383 G N 3.053 111.890 108.800 0.062 0.000 2.543 383 G HA2 0.349 5.450 3.960 1.902 0.000 0.221 383 G HA3 0.349 5.450 3.960 1.902 0.000 0.221 383 G C 1.348 176.287 174.900 0.065 0.000 1.902 383 G CA 0.497 45.665 45.100 0.113 0.000 0.838 383 G HN 0.997 nan 8.290 nan 0.000 0.650 384 G N 0.784 109.628 108.800 0.073 0.000 2.476 384 G HA2 -0.015 5.086 3.960 1.902 0.000 0.218 384 G HA3 -0.015 5.086 3.960 1.902 0.000 0.218 384 G C 1.797 176.730 174.900 0.055 0.000 1.164 384 G CA 1.705 46.845 45.100 0.066 0.000 0.768 384 G HN 0.770 nan 8.290 nan 0.000 0.560 385 G N 0.442 109.262 108.800 0.034 0.000 2.442 385 G HA2 -0.142 4.959 3.960 1.902 0.000 0.219 385 G HA3 -0.142 4.959 3.960 1.902 0.000 0.219 385 G C 1.734 176.640 174.900 0.011 0.000 1.141 385 G CA 1.131 46.243 45.100 0.020 0.000 0.763 385 G HN 0.425 nan 8.290 nan 0.000 0.554 386 L N -0.484 120.724 121.223 -0.024 0.000 2.127 386 L HA 0.347 5.829 4.340 1.902 0.000 0.203 386 L C 2.302 179.165 176.870 -0.011 0.000 1.080 386 L CA 1.312 56.114 54.840 -0.063 0.000 0.768 386 L CB 0.008 41.950 42.059 -0.195 0.000 0.924 386 L HN 0.189 nan 8.230 nan 0.000 0.444 387 L N -1.986 119.261 121.223 0.039 0.000 2.749 387 L HA 0.219 5.700 4.340 1.902 0.000 0.242 387 L C 1.741 178.750 176.870 0.232 0.000 1.103 387 L CA 0.092 55.007 54.840 0.125 0.000 0.906 387 L CB 0.257 42.381 42.059 0.108 0.000 1.228 387 L HN 0.264 nan 8.230 nan 0.000 0.517 388 Q N 0.722 120.620 119.800 0.164 0.000 2.471 388 Q HA 0.069 5.550 4.340 1.902 0.000 0.259 388 Q C 1.072 177.169 176.000 0.161 0.000 0.850 388 Q CA 0.605 56.503 55.803 0.158 0.000 0.981 388 Q CB 0.561 29.359 28.738 0.100 0.000 1.180 388 Q HN 0.070 nan 8.270 nan 0.000 0.571 389 K N 1.356 121.832 120.400 0.127 0.000 2.737 389 K HA 0.282 5.743 4.320 1.902 0.000 0.251 389 K C -1.195 175.482 176.600 0.128 0.000 1.280 389 K CA 0.043 56.394 56.287 0.107 0.000 1.219 389 K CB -0.709 31.836 32.500 0.075 0.000 1.587 389 K HN 0.156 nan 8.250 nan 0.000 0.279 390 L N 0.793 122.131 121.223 0.193 0.000 2.472 390 L HA 0.387 5.868 4.340 1.902 0.000 0.260 390 L C -0.277 176.761 176.870 0.280 0.000 0.963 390 L CA -0.939 54.045 54.840 0.240 0.000 0.829 390 L CB 2.361 44.627 42.059 0.346 0.000 1.348 390 L HN 0.272 nan 8.230 nan 0.000 0.408 391 T N -2.604 111.990 114.554 0.066 0.000 2.907 391 T HA 0.377 5.869 4.350 1.902 0.000 0.290 391 T C 0.640 174.890 174.700 -0.750 0.000 1.066 391 T CA -0.807 61.099 62.100 -0.324 0.000 1.012 391 T CB 2.147 70.865 68.868 -0.250 0.000 1.184 391 T HN 0.674 nan 8.240 nan 0.000 0.522 392 R N -0.040 119.552 120.500 -1.514 0.000 2.249 392 R HA -0.092 5.389 4.340 1.902 0.000 0.230 392 R C 0.737 176.763 176.300 -0.457 0.000 1.121 392 R CA 1.675 57.033 56.100 -1.238 0.000 0.997 392 R CB -0.338 29.159 30.300 -1.339 0.000 0.867 392 R HN 0.665 nan 8.270 nan 0.000 0.465 393 D N 0.268 120.459 120.400 -0.348 0.000 2.333 393 D HA -0.107 5.674 4.640 1.902 0.000 0.208 393 D C 1.728 177.956 176.300 -0.119 0.000 0.984 393 D CA 0.235 54.123 54.000 -0.187 0.000 0.873 393 D CB 0.132 40.841 40.800 -0.152 0.000 0.935 393 D HN 0.198 nan 8.370 nan 0.000 0.521 394 L N 0.640 121.791 121.223 -0.121 0.000 2.042 394 L HA -0.123 5.359 4.340 1.902 0.000 0.210 394 L C 1.680 178.481 176.870 -0.116 0.000 1.076 394 L CA 1.661 56.431 54.840 -0.116 0.000 0.749 394 L CB -0.202 41.755 42.059 -0.170 0.000 0.893 394 L HN -0.038 nan 8.230 nan 0.000 0.432 395 L N -0.653 120.524 121.223 -0.076 0.000 2.818 395 L HA 0.235 5.716 4.340 1.902 0.000 0.243 395 L C 0.580 177.435 176.870 -0.025 0.000 1.185 395 L CA -0.184 54.642 54.840 -0.024 0.000 0.988 395 L CB -0.477 41.601 42.059 0.032 0.000 1.292 395 L HN 0.291 nan 8.230 nan 0.000 0.519 396 N N 0.650 119.315 118.700 -0.059 0.000 2.727 396 N HA -0.181 5.700 4.740 1.902 0.000 0.249 396 N C -0.224 175.205 175.510 -0.135 0.000 1.048 396 N CA 0.319 53.318 53.050 -0.085 0.000 0.714 396 N CB -1.387 37.066 38.487 -0.057 0.000 0.959 396 N HN 0.353 nan 8.380 nan 0.000 0.544 397 C N 0.536 119.758 119.300 -0.131 0.000 2.648 397 C HA 0.482 6.083 4.460 1.902 0.000 0.415 397 C C 0.793 175.598 174.990 -0.308 0.000 1.366 397 C CA -0.346 58.516 59.018 -0.260 0.000 1.756 397 C CB -0.418 27.375 27.740 0.088 0.000 2.549 397 C HN 0.475 nan 8.230 nan 0.000 0.597 398 S N 1.782 117.155 115.700 -0.544 0.000 2.550 398 S HA 0.685 6.296 4.470 1.902 0.000 0.270 398 S C -1.136 173.240 174.600 -0.374 0.000 1.145 398 S CA -0.490 57.523 58.200 -0.310 0.000 0.852 398 S CB 1.420 64.489 63.200 -0.219 0.000 1.119 398 S HN 0.635 nan 8.310 nan 0.000 0.465 399 F N 2.233 122.004 119.950 -0.299 0.000 2.507 399 F HA 0.698 6.366 4.527 1.902 0.000 0.328 399 F C -0.981 174.687 175.800 -0.221 0.000 1.136 399 F CA -0.354 57.483 58.000 -0.270 0.000 0.930 399 F CB 0.886 39.888 39.000 0.004 0.000 1.166 399 F HN 0.266 nan 8.300 nan 0.000 0.436 400 K N 5.073 125.188 120.400 -0.476 0.000 2.426 400 K HA 0.308 5.769 4.320 1.902 0.000 0.251 400 K C -1.300 175.221 176.600 -0.131 0.000 0.941 400 K CA -0.690 55.491 56.287 -0.177 0.000 0.808 400 K CB 1.740 34.183 32.500 -0.095 0.000 1.265 400 K HN 0.738 nan 8.250 nan 0.000 0.432 401 C N 2.442 121.783 119.300 0.068 0.000 2.629 401 C HA 0.212 5.813 4.460 1.902 0.000 0.410 401 C C 1.575 176.714 174.990 0.248 0.000 1.339 401 C CA 0.388 59.501 59.018 0.158 0.000 1.810 401 C CB -1.301 26.562 27.740 0.204 0.000 2.549 401 C HN 0.839 nan 8.230 nan 0.000 0.589 402 S N 3.663 119.570 115.700 0.346 0.000 2.578 402 S HA 0.241 5.853 4.470 1.902 0.000 0.228 402 S C -0.322 174.498 174.600 0.368 0.000 1.022 402 S CA -0.188 58.225 58.200 0.355 0.000 0.967 402 S CB 0.052 63.437 63.200 0.307 0.000 0.914 402 S HN 0.971 nan 8.310 nan 0.000 0.515 403 Y N 1.128 121.558 120.300 0.217 0.000 2.480 403 Y HA 0.546 6.237 4.550 1.902 0.000 0.329 403 Y C -1.449 174.517 175.900 0.110 0.000 1.127 403 Y CA -1.021 57.133 58.100 0.089 0.000 1.037 403 Y CB 1.853 40.236 38.460 -0.129 0.000 1.320 403 Y HN 0.334 nan 8.280 nan 0.000 0.446 404 V N 2.890 122.536 119.914 -0.446 0.000 3.007 404 V HA 0.896 6.157 4.120 1.902 0.000 0.311 404 V C -1.914 173.838 176.094 -0.569 0.000 1.120 404 V CA -0.985 61.111 62.300 -0.342 0.000 0.980 404 V CB 1.637 33.384 31.823 -0.127 0.000 1.033 404 V HN 0.602 nan 8.190 nan 0.000 0.429 405 V N 2.313 122.027 119.914 -0.332 0.000 2.409 405 V HA 0.690 5.951 4.120 1.902 0.000 0.291 405 V C 0.062 176.063 176.094 -0.157 0.000 1.020 405 V CA 0.036 62.187 62.300 -0.248 0.000 0.848 405 V CB 1.575 33.318 31.823 -0.134 0.000 0.990 405 V HN 1.113 nan 8.190 nan 0.000 0.430 406 T N 4.352 118.823 114.554 -0.137 0.000 2.879 406 T HA 0.398 5.890 4.350 1.902 0.000 0.290 406 T C 0.249 174.901 174.700 -0.080 0.000 0.993 406 T CA -0.511 61.525 62.100 -0.108 0.000 0.975 406 T CB 0.864 69.674 68.868 -0.096 0.000 0.981 406 T HN 0.690 nan 8.240 nan 0.000 0.439 407 N N 1.871 120.529 118.700 -0.070 0.000 2.735 407 N HA -0.231 5.650 4.740 1.902 0.000 0.248 407 N C 1.167 176.653 175.510 -0.039 0.000 1.083 407 N CA 1.399 54.419 53.050 -0.050 0.000 0.703 407 N CB -1.215 37.246 38.487 -0.042 0.000 1.005 407 N HN 1.356 nan 8.380 nan 0.000 0.550 408 G N -1.201 107.575 108.800 -0.041 0.000 2.196 408 G HA2 -0.328 4.774 3.960 1.902 0.000 0.268 408 G HA3 -0.328 4.774 3.960 1.902 0.000 0.268 408 G C 0.063 174.949 174.900 -0.023 0.000 0.975 408 G CA 0.836 45.921 45.100 -0.025 0.000 0.648 408 G HN 0.458 nan 8.290 nan 0.000 0.538 409 L N 0.795 121.993 121.223 -0.041 0.000 2.307 409 L HA 0.647 6.129 4.340 1.902 0.000 0.284 409 L C 1.122 177.941 176.870 -0.085 0.000 1.023 409 L CA -0.583 54.234 54.840 -0.038 0.000 0.810 409 L CB 1.705 43.745 42.059 -0.032 0.000 1.231 409 L HN 0.140 nan 8.230 nan 0.000 0.423 410 G N 3.720 112.484 108.800 -0.060 0.000 2.403 410 G HA2 0.528 5.629 3.960 1.902 0.000 0.259 410 G HA3 0.528 5.629 3.960 1.902 0.000 0.259 410 G C -0.535 174.263 174.900 -0.171 0.000 1.244 410 G CA -0.289 44.690 45.100 -0.201 0.000 0.849 410 G HN 0.675 nan 8.290 nan 0.000 0.532 411 I N -0.597 119.767 120.570 -0.343 0.000 2.647 411 I HA 0.488 5.800 4.170 1.902 0.000 0.295 411 I C -1.108 174.993 176.117 -0.026 0.000 1.078 411 I CA -1.413 59.823 61.300 -0.106 0.000 1.048 411 I CB 2.472 40.431 38.000 -0.068 0.000 1.239 411 I HN 0.145 nan 8.210 nan 0.000 0.421 412 N N 5.701 124.477 118.700 0.126 0.000 2.430 412 N HA 0.435 6.316 4.740 1.902 0.000 0.265 412 N C -0.386 175.270 175.510 0.244 0.000 1.100 412 N CA -0.249 52.926 53.050 0.210 0.000 0.961 412 N CB 1.730 40.314 38.487 0.162 0.000 1.075 412 N HN 0.630 nan 8.380 nan 0.000 0.478 413 V N 0.153 120.225 119.914 0.264 0.000 2.960 413 V HA 0.980 6.241 4.120 1.902 0.000 0.315 413 V C -0.662 175.657 176.094 0.375 0.000 1.087 413 V CA -0.859 61.592 62.300 0.251 0.000 0.982 413 V CB 1.458 33.345 31.823 0.107 0.000 1.039 413 V HN 0.569 nan 8.190 nan 0.000 0.437 414 F N 0.334 120.328 119.950 0.074 0.000 2.799 414 F HA 0.747 6.416 4.527 1.902 0.000 0.316 414 F C -1.072 174.763 175.800 0.058 0.000 1.155 414 F CA -1.211 56.836 58.000 0.078 0.000 0.916 414 F CB 1.351 40.389 39.000 0.063 0.000 1.294 414 F HN 0.827 nan 8.300 nan 0.000 0.447 415 K N 0.320 120.746 120.400 0.042 0.000 2.166 415 K HA 0.715 6.176 4.320 1.902 0.000 0.245 415 K C -1.766 174.943 176.600 0.183 0.000 0.967 415 K CA -0.710 55.555 56.287 -0.037 0.000 0.863 415 K CB 2.193 34.697 32.500 0.007 0.000 1.107 415 K HN 0.725 nan 8.250 nan 0.000 0.436 416 D N 1.876 122.343 120.400 0.111 0.000 2.934 416 D HA 0.284 6.065 4.640 1.902 0.000 0.249 416 D C -2.621 173.733 176.300 0.090 0.000 1.293 416 D CA -1.185 52.923 54.000 0.180 0.000 0.812 416 D CB 0.734 41.748 40.800 0.356 0.000 1.439 416 D HN 0.359 nan 8.370 nan 0.000 0.555 417 P HA 0.046 nan 4.420 nan 0.000 0.271 417 P C 1.165 178.486 177.300 0.035 0.000 1.216 417 P CA -0.514 62.605 63.100 0.032 0.000 0.771 417 P CB 1.564 33.278 31.700 0.023 0.000 0.864 418 V N 3.259 123.189 119.914 0.027 0.000 2.332 418 V HA -0.275 4.986 4.120 1.902 0.000 0.248 418 V C 1.764 177.872 176.094 0.022 0.000 1.055 418 V CA 2.753 65.069 62.300 0.026 0.000 1.038 418 V CB -1.000 30.834 31.823 0.019 0.000 0.651 418 V HN 0.691 nan 8.190 nan 0.000 0.450 419 A N -1.324 121.506 122.820 0.017 0.000 2.251 419 A HA 0.145 5.607 4.320 1.902 0.000 0.209 419 A C 0.813 178.406 177.584 0.014 0.000 1.187 419 A CA 0.831 52.876 52.037 0.013 0.000 0.823 419 A CB -0.139 18.866 19.000 0.009 0.000 0.846 419 A HN 0.596 nan 8.150 nan 0.000 0.486 420 D N -1.328 119.083 120.400 0.019 0.000 2.472 420 D HA 0.287 6.068 4.640 1.902 0.000 0.248 420 D C -2.372 173.944 176.300 0.027 0.000 1.271 420 D CA -1.500 52.511 54.000 0.019 0.000 0.888 420 D CB 1.161 41.969 40.800 0.013 0.000 1.337 420 D HN -0.103 nan 8.370 nan 0.000 0.526 421 P HA -0.106 nan 4.420 nan 0.000 0.218 421 P C 1.106 178.426 177.300 0.032 0.000 1.146 421 P CA 0.835 63.955 63.100 0.033 0.000 0.813 421 P CB 0.305 32.020 31.700 0.026 0.000 0.778 422 N N -0.681 118.034 118.700 0.024 0.000 2.512 422 N HA -0.067 5.814 4.740 1.902 0.000 0.183 422 N C 1.081 176.604 175.510 0.020 0.000 1.073 422 N CA 0.735 53.797 53.050 0.020 0.000 0.911 422 N CB -0.007 38.488 38.487 0.013 0.000 0.964 422 N HN 0.311 nan 8.380 nan 0.000 0.447 423 K N 0.885 121.301 120.400 0.026 0.000 2.417 423 K HA 0.086 5.547 4.320 1.902 0.000 0.196 423 K C 0.522 177.157 176.600 0.060 0.000 1.023 423 K CA -0.222 56.084 56.287 0.030 0.000 1.122 423 K CB 0.441 32.955 32.500 0.023 0.000 0.850 423 K HN 0.081 nan 8.250 nan 0.000 0.521 424 R N 2.316 122.860 120.500 0.074 0.000 2.538 424 R HA -0.024 5.457 4.340 1.902 0.000 0.282 424 R C 0.010 176.388 176.300 0.130 0.000 1.009 424 R CA 0.309 56.480 56.100 0.117 0.000 1.063 424 R CB 0.464 30.822 30.300 0.096 0.000 0.945 424 R HN 0.076 nan 8.270 nan 0.000 0.414 425 S N 3.042 118.862 115.700 0.199 0.000 2.718 425 S HA 0.411 6.022 4.470 1.902 0.000 0.300 425 S C -0.573 174.155 174.600 0.213 0.000 1.117 425 S CA -1.010 57.329 58.200 0.232 0.000 1.002 425 S CB 1.777 65.126 63.200 0.248 0.000 1.092 425 S HN 0.545 nan 8.310 nan 0.000 0.542 426 K N 0.766 121.285 120.400 0.198 0.000 2.154 426 K HA 0.338 5.799 4.320 1.902 0.000 0.264 426 K C -0.401 176.213 176.600 0.024 0.000 1.008 426 K CA -0.457 55.820 56.287 -0.016 0.000 0.937 426 K CB 0.589 32.922 32.500 -0.277 0.000 1.002 426 K HN 0.522 nan 8.250 nan 0.000 0.469 427 K N 0.901 121.274 120.400 -0.045 0.000 2.159 427 K HA 0.411 5.873 4.320 1.902 0.000 0.266 427 K C 0.183 176.786 176.600 0.005 0.000 0.975 427 K CA -0.463 55.838 56.287 0.023 0.000 0.865 427 K CB 1.640 34.098 32.500 -0.071 0.000 1.087 427 K HN 0.835 nan 8.250 nan 0.000 0.446 428 G N 1.988 110.846 108.800 0.097 0.000 2.698 428 G HA2 -0.292 4.809 3.960 1.902 0.000 0.233 428 G HA3 -0.292 4.809 3.960 1.902 0.000 0.233 428 G C -0.839 173.962 174.900 -0.164 0.000 1.352 428 G CA -0.728 44.399 45.100 0.044 0.000 0.879 428 G HN 0.637 nan 8.290 nan 0.000 0.567 429 R N -0.634 119.570 120.500 -0.492 0.000 2.491 429 R HA 0.545 6.026 4.340 1.902 0.000 0.283 429 R C 0.316 176.466 176.300 -0.250 0.000 1.072 429 R CA -0.120 55.579 56.100 -0.668 0.000 1.048 429 R CB 0.391 30.149 30.300 -0.902 0.000 0.983 429 R HN 0.435 nan 8.270 nan 0.000 0.450 430 L N 1.245 122.436 121.223 -0.054 0.000 2.333 430 L HA 0.574 6.055 4.340 1.902 0.000 0.269 430 L C -0.112 176.754 176.870 -0.007 0.000 1.010 430 L CA -0.725 54.089 54.840 -0.043 0.000 0.818 430 L CB 2.104 44.100 42.059 -0.105 0.000 1.306 430 L HN 0.789 nan 8.230 nan 0.000 0.430 431 S N 1.540 117.226 115.700 -0.022 0.000 2.550 431 S HA 0.697 6.309 4.470 1.902 0.000 0.270 431 S C -1.383 173.142 174.600 -0.126 0.000 1.145 431 S CA -0.797 57.368 58.200 -0.058 0.000 0.852 431 S CB 2.232 65.462 63.200 0.051 0.000 1.119 431 S HN 0.435 nan 8.310 nan 0.000 0.465 432 L N 2.655 123.687 121.223 -0.318 0.000 2.322 432 L HA 0.685 6.166 4.340 1.902 0.000 0.281 432 L C -0.984 175.623 176.870 -0.438 0.000 1.014 432 L CA 0.080 54.791 54.840 -0.214 0.000 0.815 432 L CB 1.003 43.007 42.059 -0.093 0.000 1.247 432 L HN 0.925 nan 8.230 nan 0.000 0.421 433 H N 2.817 121.909 119.070 0.037 0.000 2.928 433 H HA 0.485 6.183 4.556 1.902 0.000 0.371 433 H C -0.745 174.607 175.328 0.039 0.000 1.186 433 H CA -1.139 54.930 56.048 0.035 0.000 1.134 433 H CB 1.785 31.520 29.762 -0.044 0.000 1.824 433 H HN 0.370 nan 8.280 nan 0.000 0.554 434 R N 1.249 121.821 120.500 0.121 0.000 2.438 434 R HA 0.160 5.641 4.340 1.902 0.000 0.287 434 R C 0.038 176.395 176.300 0.096 0.000 1.077 434 R CA -0.207 55.857 56.100 -0.061 0.000 1.034 434 R CB 0.378 30.639 30.300 -0.065 0.000 0.993 434 R HN 0.777 nan 8.270 nan 0.000 0.459 435 T N 1.002 115.574 114.554 0.031 0.000 2.899 435 T HA 0.311 5.803 4.350 1.902 0.000 0.284 435 T C -1.618 173.113 174.700 0.051 0.000 1.004 435 T CA -1.655 60.538 62.100 0.154 0.000 1.043 435 T CB 1.166 70.105 68.868 0.118 0.000 1.013 435 T HN 0.348 nan 8.240 nan 0.000 0.518 436 P HA -0.048 nan 4.420 nan 0.000 0.217 436 P C 1.192 178.477 177.300 -0.024 0.000 1.151 436 P CA 1.314 64.400 63.100 -0.023 0.000 0.849 436 P CB -0.272 31.396 31.700 -0.053 0.000 0.787 437 A N -1.210 121.601 122.820 -0.016 0.000 2.276 437 A HA 0.441 5.903 4.320 1.902 0.000 0.212 437 A C 1.543 179.098 177.584 -0.047 0.000 1.230 437 A CA 0.614 52.636 52.037 -0.025 0.000 0.844 437 A CB -1.342 17.651 19.000 -0.012 0.000 0.860 437 A HN 0.258 nan 8.150 nan 0.000 0.486 438 G N -0.614 108.141 108.800 -0.074 0.000 2.143 438 G HA2 -0.247 4.854 3.960 1.902 0.000 0.248 438 G HA3 -0.247 4.854 3.960 1.902 0.000 0.248 438 G C 0.130 174.882 174.900 -0.246 0.000 0.991 438 G CA 0.284 45.298 45.100 -0.144 0.000 0.689 438 G HN 0.534 nan 8.290 nan 0.000 0.522 439 N N -0.812 117.767 118.700 -0.201 0.000 2.620 439 N HA 0.757 6.638 4.740 1.902 0.000 0.307 439 N C -0.263 174.988 175.510 -0.431 0.000 1.316 439 N CA -0.100 52.825 53.050 -0.209 0.000 0.931 439 N CB 0.388 38.875 38.487 0.000 0.000 1.116 439 N HN 0.065 nan 8.380 nan 0.000 0.573 440 F N -0.285 119.692 119.950 0.044 0.000 2.538 440 F HA 0.577 6.244 4.527 1.901 0.000 0.325 440 F C 0.185 175.992 175.800 0.012 0.000 1.066 440 F CA -0.828 57.196 58.000 0.040 0.000 0.946 440 F CB 1.756 40.779 39.000 0.039 0.000 1.199 440 F HN -0.084 nan 8.300 nan 0.000 0.473 441 V N 1.216 121.222 119.914 0.152 0.000 2.888 441 V HA 0.553 5.815 4.120 1.902 0.000 0.309 441 V C -1.031 175.064 176.094 0.002 0.000 1.114 441 V CA -0.283 62.023 62.300 0.011 0.000 0.940 441 V CB 2.405 34.127 31.823 -0.169 0.000 1.021 441 V HN 0.780 nan 8.190 nan 0.000 0.426 442 T N 7.774 122.313 114.554 -0.024 0.000 2.743 442 T HA 0.544 6.035 4.350 1.902 0.000 0.292 442 T C -0.285 174.366 174.700 -0.082 0.000 0.972 442 T CA -0.124 61.953 62.100 -0.039 0.000 0.967 442 T CB 0.590 69.424 68.868 -0.058 0.000 0.926 442 T HN 0.507 nan 8.240 nan 0.000 0.459 443 L N 3.782 124.972 121.223 -0.055 0.000 2.292 443 L HA 0.446 5.928 4.340 1.902 0.000 0.284 443 L C 0.760 177.576 176.870 -0.091 0.000 1.065 443 L CA -0.552 54.228 54.840 -0.100 0.000 0.806 443 L CB 0.953 42.940 42.059 -0.120 0.000 1.175 443 L HN 0.579 nan 8.230 nan 0.000 0.431 444 E N 1.864 122.001 120.200 -0.105 0.000 2.239 444 E HA 0.277 5.768 4.350 1.902 0.000 0.261 444 E C -0.387 176.151 176.600 -0.104 0.000 1.016 444 E CA -0.720 55.611 56.400 -0.116 0.000 0.882 444 E CB 1.087 30.716 29.700 -0.120 0.000 1.190 444 E HN 0.495 nan 8.360 nan 0.000 0.415 445 E N -0.279 119.855 120.200 -0.109 0.000 2.637 445 E HA -0.265 5.227 4.350 1.902 0.000 0.265 445 E C 0.437 176.965 176.600 -0.119 0.000 1.073 445 E CA 0.238 56.582 56.400 -0.093 0.000 0.778 445 E CB -1.718 27.945 29.700 -0.063 0.000 1.362 445 E HN 0.997 nan 8.360 nan 0.000 0.413 446 G N 0.126 108.824 108.800 -0.170 0.000 2.166 446 G HA2 -0.432 4.670 3.960 1.902 0.000 0.260 446 G HA3 -0.432 4.670 3.960 1.902 0.000 0.260 446 G C 0.742 175.585 174.900 -0.095 0.000 0.986 446 G CA 1.001 45.998 45.100 -0.172 0.000 0.683 446 G HN 0.399 nan 8.290 nan 0.000 0.527 447 K N 0.025 120.380 120.400 -0.075 0.000 2.360 447 K HA 0.047 5.509 4.320 1.902 0.000 0.201 447 K C 2.649 179.222 176.600 -0.045 0.000 1.046 447 K CA 0.853 57.109 56.287 -0.052 0.000 0.945 447 K CB -0.283 32.188 32.500 -0.049 0.000 0.750 447 K HN 0.410 nan 8.250 nan 0.000 0.464 448 G N 1.446 110.232 108.800 -0.024 0.000 2.470 448 G HA2 -0.232 4.870 3.960 1.902 0.000 0.220 448 G HA3 -0.232 4.870 3.960 1.902 0.000 0.220 448 G C 0.815 175.731 174.900 0.027 0.000 1.121 448 G CA 0.713 45.827 45.100 0.023 0.000 0.766 448 G HN 0.221 nan 8.290 nan 0.000 0.553 449 D N 0.571 120.970 120.400 -0.001 0.000 2.264 449 D HA -0.046 5.736 4.640 1.902 0.000 0.208 449 D C 2.416 178.714 176.300 -0.004 0.000 0.966 449 D CA 0.297 54.295 54.000 -0.004 0.000 0.864 449 D CB -0.130 40.654 40.800 -0.026 0.000 0.933 449 D HN 0.333 nan 8.370 nan 0.000 0.499 450 L N 0.160 121.376 121.223 -0.011 0.000 2.456 450 L HA -0.050 5.432 4.340 1.902 0.000 0.224 450 L C 0.488 177.352 176.870 -0.009 0.000 1.148 450 L CA 0.271 55.105 54.840 -0.011 0.000 0.825 450 L CB -0.553 41.499 42.059 -0.012 0.000 0.937 450 L HN -0.034 nan 8.230 nan 0.000 0.450 451 E N 0.328 120.527 120.200 -0.002 0.000 2.294 451 E HA -0.263 5.228 4.350 1.902 0.000 0.228 451 E C 0.671 177.262 176.600 -0.015 0.000 1.253 451 E CA 0.487 56.891 56.400 0.007 0.000 0.716 451 E CB -0.673 29.038 29.700 0.018 0.000 1.184 451 E HN 0.564 nan 8.360 nan 0.000 0.374 452 E N -1.020 119.161 120.200 -0.031 0.000 2.479 452 E HA -0.033 5.458 4.350 1.902 0.000 0.193 452 E C 0.265 176.745 176.600 -0.200 0.000 1.049 452 E CA 0.336 56.671 56.400 -0.110 0.000 0.870 452 E CB 0.352 29.974 29.700 -0.128 0.000 0.944 452 E HN 0.396 nan 8.360 nan 0.000 0.492 453 Y N 0.228 120.431 120.300 -0.162 0.000 2.721 453 Y HA 0.266 5.957 4.550 1.902 0.000 0.251 453 Y C 0.762 176.638 175.900 -0.040 0.000 1.136 453 Y CA 0.048 58.045 58.100 -0.172 0.000 1.142 453 Y CB 1.100 39.315 38.460 -0.407 0.000 1.212 453 Y HN 0.079 nan 8.280 nan 0.000 0.565 454 G N 1.321 110.200 108.800 0.131 0.000 2.697 454 G HA2 -0.317 4.785 3.960 1.902 0.000 0.240 454 G HA3 -0.317 4.785 3.960 1.902 0.000 0.240 454 G C -0.271 174.796 174.900 0.279 0.000 1.346 454 G CA -0.093 45.106 45.100 0.165 0.000 0.887 454 G HN 0.472 nan 8.290 nan 0.000 0.569 455 Q N -0.205 119.725 119.800 0.217 0.000 2.230 455 Q HA 0.529 6.010 4.340 1.902 0.000 0.248 455 Q C -0.061 175.983 176.000 0.073 0.000 0.915 455 Q CA -0.205 55.702 55.803 0.172 0.000 0.900 455 Q CB 1.344 30.148 28.738 0.111 0.000 1.229 455 Q HN 0.634 nan 8.270 nan 0.000 0.439 456 D N 2.627 122.995 120.400 -0.055 0.000 2.487 456 D HA -0.038 5.744 4.640 1.902 0.000 0.243 456 D C 0.480 176.611 176.300 -0.281 0.000 1.154 456 D CA 0.310 54.107 54.000 -0.337 0.000 0.876 456 D CB 0.679 41.354 40.800 -0.209 0.000 1.161 456 D HN 0.712 nan 8.370 nan 0.000 0.478 457 L N 3.181 124.230 121.223 -0.288 0.000 2.465 457 L HA 0.027 5.509 4.340 1.902 0.000 0.224 457 L C 0.753 177.342 176.870 -0.469 0.000 1.145 457 L CA 0.202 54.892 54.840 -0.250 0.000 0.834 457 L CB -0.396 41.662 42.059 -0.002 0.000 0.944 457 L HN 0.293 nan 8.230 nan 0.000 0.451 458 L N 0.327 121.305 121.223 -0.408 0.000 2.305 458 L HA 0.277 5.758 4.340 1.902 0.000 0.281 458 L C -0.135 176.476 176.870 -0.433 0.000 1.085 458 L CA -0.233 54.414 54.840 -0.322 0.000 0.813 458 L CB 0.538 42.504 42.059 -0.155 0.000 1.157 458 L HN 0.080 nan 8.230 nan 0.000 0.436 459 H N 0.978 120.050 119.070 0.004 0.000 2.569 459 H HA 0.260 5.957 4.556 1.902 0.000 0.357 459 H C -0.456 174.908 175.328 0.061 0.000 1.153 459 H CA -0.754 55.316 56.048 0.037 0.000 1.193 459 H CB 1.952 31.749 29.762 0.058 0.000 1.602 459 H HN 0.456 nan 8.280 nan 0.000 0.523 460 T N 2.311 116.973 114.554 0.181 0.000 2.817 460 T HA 0.083 5.575 4.350 1.902 0.000 0.295 460 T C 1.629 176.415 174.700 0.143 0.000 0.958 460 T CA -0.114 62.069 62.100 0.139 0.000 1.157 460 T CB 0.103 69.031 68.868 0.100 0.000 0.898 460 T HN 0.524 nan 8.240 nan 0.000 0.536 461 V N 1.128 121.140 119.914 0.163 0.000 3.645 461 V HA 0.554 5.816 4.120 1.902 0.000 0.275 461 V C -0.008 176.204 176.094 0.196 0.000 1.356 461 V CA -0.100 62.296 62.300 0.160 0.000 1.051 461 V CB -0.403 31.534 31.823 0.191 0.000 0.828 461 V HN 0.655 nan 8.190 nan 0.000 0.441 462 F N 1.055 121.020 119.950 0.025 0.000 2.596 462 F HA 0.753 6.421 4.527 1.902 0.000 0.311 462 F C -0.807 175.004 175.800 0.019 0.000 1.116 462 F CA -0.798 57.209 58.000 0.013 0.000 0.957 462 F CB 1.852 40.853 39.000 0.002 0.000 1.250 462 F HN -0.047 nan 8.300 nan 0.000 0.444 463 K N 4.763 124.936 120.400 -0.378 0.000 2.589 463 K HA 0.309 5.770 4.320 1.902 0.000 0.253 463 K C -0.918 175.453 176.600 -0.383 0.000 0.974 463 K CA -0.574 55.591 56.287 -0.202 0.000 0.835 463 K CB 1.077 33.532 32.500 -0.075 0.000 1.272 463 K HN 0.849 nan 8.250 nan 0.000 0.444 464 N N 2.879 121.428 118.700 -0.251 0.000 2.725 464 N HA -0.255 5.626 4.740 1.902 0.000 0.251 464 N C 0.412 175.813 175.510 -0.182 0.000 1.031 464 N CA 0.818 53.758 53.050 -0.184 0.000 0.720 464 N CB -0.802 37.608 38.487 -0.129 0.000 0.930 464 N HN 1.057 nan 8.380 nan 0.000 0.543 465 G N -1.891 106.663 108.800 -0.410 0.000 2.175 465 G HA2 -0.319 4.783 3.960 1.902 0.000 0.244 465 G HA3 -0.319 4.783 3.960 1.902 0.000 0.244 465 G C -0.099 174.574 174.900 -0.379 0.000 0.982 465 G CA 0.526 45.505 45.100 -0.201 0.000 0.641 465 G HN 0.288 nan 8.290 nan 0.000 0.527 466 K N 0.277 120.285 120.400 -0.653 0.000 2.270 466 K HA 0.702 6.164 4.320 1.902 0.000 0.255 466 K C 0.138 176.471 176.600 -0.447 0.000 0.936 466 K CA -0.925 55.138 56.287 -0.373 0.000 0.809 466 K CB 2.087 34.456 32.500 -0.217 0.000 1.131 466 K HN 0.138 nan 8.250 nan 0.000 0.427 467 V N 3.262 123.076 119.914 -0.167 0.000 2.427 467 V HA 0.078 5.340 4.120 1.902 0.000 0.268 467 V C 1.235 177.292 176.094 -0.062 0.000 1.046 467 V CA 0.219 62.497 62.300 -0.036 0.000 0.970 467 V CB 0.570 32.409 31.823 0.027 0.000 1.001 467 V HN 0.990 nan 8.190 nan 0.000 0.476 468 T N 1.206 115.733 114.554 -0.044 0.000 3.022 468 T HA 0.257 5.748 4.350 1.902 0.000 0.250 468 T C 0.375 175.042 174.700 -0.054 0.000 1.060 468 T CA -0.175 61.894 62.100 -0.051 0.000 1.013 468 T CB 0.177 69.020 68.868 -0.040 0.000 0.982 468 T HN 0.459 nan 8.240 nan 0.000 0.508 469 K N 0.590 120.954 120.400 -0.060 0.000 2.575 469 K HA 0.560 6.021 4.320 1.902 0.000 0.255 469 K C -1.682 174.794 176.600 -0.207 0.000 0.953 469 K CA -0.270 55.926 56.287 -0.151 0.000 0.840 469 K CB 2.053 34.475 32.500 -0.131 0.000 1.303 469 K HN 0.025 nan 8.250 nan 0.000 0.438 470 S N 2.300 117.809 115.700 -0.318 0.000 2.607 470 S HA 0.629 6.241 4.470 1.902 0.000 0.303 470 S C -1.506 172.760 174.600 -0.556 0.000 1.086 470 S CA -0.554 57.477 58.200 -0.282 0.000 0.995 470 S CB 0.617 63.743 63.200 -0.124 0.000 1.084 470 S HN 0.440 nan 8.310 nan 0.000 0.507 471 Y N 0.969 121.353 120.300 0.139 0.000 2.425 471 Y HA 0.435 6.128 4.550 1.904 0.000 0.344 471 Y C 0.706 176.764 175.900 0.265 0.000 0.969 471 Y CA -0.832 57.378 58.100 0.184 0.000 1.052 471 Y CB 1.564 40.154 38.460 0.216 0.000 1.215 471 Y HN 0.704 nan 8.280 nan 0.000 0.451 472 S N 1.630 117.526 115.700 0.326 0.000 2.614 472 S HA 0.138 5.749 4.470 1.902 0.000 0.265 472 S C 0.702 175.526 174.600 0.373 0.000 1.303 472 S CA -0.511 57.884 58.200 0.325 0.000 1.000 472 S CB 0.543 63.867 63.200 0.205 0.000 0.935 472 S HN 0.673 nan 8.310 nan 0.000 0.551 473 F N 1.364 121.442 119.950 0.213 0.000 2.216 473 F HA -0.082 5.586 4.527 1.902 0.000 0.300 473 F C 1.799 177.609 175.800 0.017 0.000 1.085 473 F CA 1.792 59.832 58.000 0.068 0.000 1.326 473 F CB -0.442 38.578 39.000 0.035 0.000 1.027 473 F HN 0.647 nan 8.300 nan 0.000 0.497 474 D N 0.264 120.729 120.400 0.109 0.000 2.104 474 D HA -0.201 5.580 4.640 1.902 0.000 0.194 474 D C 2.043 178.329 176.300 -0.024 0.000 0.994 474 D CA 1.758 55.770 54.000 0.019 0.000 0.830 474 D CB -0.516 40.327 40.800 0.070 0.000 0.959 474 D HN 0.487 nan 8.370 nan 0.000 0.452 475 E N 0.604 120.834 120.200 0.050 0.000 2.077 475 E HA -0.121 5.370 4.350 1.902 0.000 0.193 475 E C 2.464 179.064 176.600 -0.000 0.000 0.989 475 E CA 0.494 56.940 56.400 0.075 0.000 0.800 475 E CB -0.158 29.666 29.700 0.206 0.000 0.746 475 E HN 0.311 nan 8.360 nan 0.000 0.452 476 I N 1.155 121.680 120.570 -0.075 0.000 2.163 476 I HA -0.309 5.002 4.170 1.902 0.000 0.243 476 I C 2.635 178.556 176.117 -0.327 0.000 1.085 476 I CA 1.356 62.527 61.300 -0.214 0.000 1.347 476 I CB -0.306 37.490 38.000 -0.339 0.000 1.044 476 I HN 0.028 nan 8.210 nan 0.000 0.408 477 R N 0.632 120.859 120.500 -0.455 0.000 2.083 477 R HA -0.224 5.258 4.340 1.902 0.000 0.237 477 R C 2.384 178.549 176.300 -0.226 0.000 1.137 477 R CA 1.613 57.478 56.100 -0.392 0.000 0.951 477 R CB -0.363 29.710 30.300 -0.380 0.000 0.851 477 R HN 0.326 nan 8.270 nan 0.000 0.434 478 K N 0.634 120.945 120.400 -0.149 0.000 2.032 478 K HA -0.164 5.298 4.320 1.902 0.000 0.209 478 K C 1.677 178.230 176.600 -0.079 0.000 1.048 478 K CA 1.704 57.939 56.287 -0.087 0.000 0.927 478 K CB -0.033 32.447 32.500 -0.033 0.000 0.712 478 K HN 0.108 nan 8.250 nan 0.000 0.441 479 N N 0.575 119.245 118.700 -0.050 0.000 2.149 479 N HA -0.156 5.726 4.740 1.902 0.000 0.188 479 N C 1.348 176.800 175.510 -0.096 0.000 1.019 479 N CA 1.445 54.475 53.050 -0.035 0.000 0.857 479 N CB -0.261 38.306 38.487 0.132 0.000 0.997 479 N HN 0.300 nan 8.380 nan 0.000 0.426 480 A N 0.575 123.320 122.820 -0.124 0.000 2.251 480 A HA 0.070 5.531 4.320 1.902 0.000 0.209 480 A C 0.767 178.260 177.584 -0.153 0.000 1.187 480 A CA -0.186 51.767 52.037 -0.140 0.000 0.823 480 A CB -0.168 18.719 19.000 -0.189 0.000 0.846 480 A HN 0.258 nan 8.150 nan 0.000 0.486 481 Q N -0.063 119.649 119.800 -0.147 0.000 2.414 481 Q HA 0.193 5.675 4.340 1.902 0.000 0.288 481 Q C -0.372 175.556 176.000 -0.120 0.000 1.086 481 Q CA 0.245 55.963 55.803 -0.142 0.000 0.943 481 Q CB 0.408 29.077 28.738 -0.115 0.000 1.282 481 Q HN 0.536 nan 8.270 nan 0.000 0.438 482 L N 2.349 123.499 121.223 -0.121 0.000 2.467 482 L HA -0.046 5.435 4.340 1.902 0.000 0.270 482 L C 1.479 178.306 176.870 -0.072 0.000 1.205 482 L CA -0.626 54.160 54.840 -0.090 0.000 0.828 482 L CB 0.186 42.191 42.059 -0.091 0.000 1.101 482 L HN 0.721 nan 8.230 nan 0.000 0.479 483 N N 1.694 120.361 118.700 -0.055 0.000 2.005 483 N HA -0.161 5.721 4.740 1.902 0.000 0.199 483 N C 0.855 176.339 175.510 -0.043 0.000 1.054 483 N CA 0.944 53.967 53.050 -0.045 0.000 0.864 483 N CB -0.339 38.128 38.487 -0.033 0.000 1.063 483 N HN 0.387 nan 8.380 nan 0.000 0.428 484 I N 0.000 120.546 120.570 -0.041 0.000 2.984 484 I HA 0.000 5.311 4.170 1.902 0.000 0.288 484 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 484 I CB 0.000 37.978 38.000 -0.037 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494