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 3dkj_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 0.000 175.806 175.800 0.010 0.000 0.967 9 F CA 0.000 58.023 58.000 0.038 0.000 1.383 9 F CB 0.000 39.078 39.000 0.130 0.000 1.145 10 N N 6.098 124.313 118.700 -0.809 0.000 2.531 10 N HA 0.260 6.144 4.740 1.907 0.000 0.268 10 N C 0.324 175.330 175.510 -0.840 0.000 1.023 10 N CA -0.480 52.201 53.050 -0.614 0.000 0.896 10 N CB 1.368 39.624 38.487 -0.384 0.000 1.233 10 N HN 0.783 nan 8.380 nan 0.000 0.512 11 I N 3.712 123.952 120.570 -0.549 0.000 2.423 11 I HA -0.126 5.188 4.170 1.907 0.000 0.254 11 I C 1.238 177.349 176.117 -0.009 0.000 1.151 11 I CA 1.152 62.331 61.300 -0.202 0.000 1.421 11 I CB 0.084 38.178 38.000 0.157 0.000 1.079 11 I HN 0.598 nan 8.210 nan 0.000 0.431 12 L N -0.473 120.600 121.223 -0.249 0.000 2.362 12 L HA -0.047 5.437 4.340 1.907 0.000 0.219 12 L C 1.746 178.768 176.870 0.254 0.000 1.134 12 L CA 1.276 56.067 54.840 -0.082 0.000 0.807 12 L CB -0.568 41.186 42.059 -0.507 0.000 0.927 12 L HN 0.200 nan 8.230 nan 0.000 0.447 13 L N -1.116 120.076 121.223 -0.052 0.000 2.857 13 L HA 0.325 5.809 4.340 1.907 0.000 0.249 13 L C 1.051 177.861 176.870 -0.099 0.000 1.172 13 L CA -0.108 54.673 54.840 -0.098 0.000 0.980 13 L CB 0.054 41.935 42.059 -0.296 0.000 1.299 13 L HN 0.108 nan 8.230 nan 0.000 0.535 14 A N -0.475 122.318 122.820 -0.045 0.000 2.911 14 A HA 0.464 5.928 4.320 1.907 0.000 0.304 14 A C 0.227 177.821 177.584 0.015 0.000 1.144 14 A CA -0.039 51.975 52.037 -0.038 0.000 0.988 14 A CB 0.173 19.140 19.000 -0.055 0.000 1.141 14 A HN 0.134 nan 8.150 nan 0.000 0.552 15 T N -0.777 113.740 114.554 -0.062 0.000 2.887 15 T HA 0.357 5.851 4.350 1.907 0.000 0.292 15 T C -1.286 173.340 174.700 -0.123 0.000 1.087 15 T CA -0.594 61.380 62.100 -0.210 0.000 1.009 15 T CB 1.048 69.470 68.868 -0.743 0.000 1.203 15 T HN 0.290 nan 8.240 nan 0.000 0.518 16 D N 2.054 122.414 120.400 -0.067 0.000 2.455 16 D HA 0.112 5.896 4.640 1.907 0.000 0.241 16 D C 1.160 177.503 176.300 0.071 0.000 1.138 16 D CA 0.226 54.262 54.000 0.060 0.000 0.877 16 D CB 1.392 42.345 40.800 0.254 0.000 1.187 16 D HN 0.509 nan 8.370 nan 0.000 0.451 17 S N 1.935 117.713 115.700 0.130 0.000 2.380 17 S HA -0.267 5.347 4.470 1.907 0.000 0.229 17 S C 1.874 176.668 174.600 0.323 0.000 1.043 17 S CA 1.410 59.747 58.200 0.228 0.000 1.038 17 S CB -0.530 62.822 63.200 0.254 0.000 0.872 17 S HN 0.723 nan 8.310 nan 0.000 0.456 18 Y N 1.334 121.644 120.300 0.017 0.000 2.274 18 Y HA -0.020 5.674 4.550 1.906 0.000 0.290 18 Y C 1.914 177.481 175.900 -0.555 0.000 1.145 18 Y CA 0.904 58.961 58.100 -0.072 0.000 1.203 18 Y CB -0.465 38.017 38.460 0.038 0.000 0.984 18 Y HN 0.085 nan 8.280 nan 0.000 0.533 19 K N 0.891 120.841 120.400 -0.750 0.000 2.211 19 K HA -0.102 5.362 4.320 1.907 0.000 0.204 19 K C 1.892 178.182 176.600 -0.518 0.000 1.047 19 K CA 1.315 56.982 56.287 -1.034 0.000 0.935 19 K CB -0.200 31.942 32.500 -0.597 0.000 0.728 19 K HN 0.255 nan 8.250 nan 0.000 0.452 20 V N 1.355 121.029 119.914 -0.399 0.000 2.469 20 V HA -0.242 5.022 4.120 1.907 0.000 0.251 20 V C 2.358 178.472 176.094 0.034 0.000 1.064 20 V CA 2.297 64.513 62.300 -0.142 0.000 1.066 20 V CB -0.794 30.844 31.823 -0.307 0.000 0.667 20 V HN 0.565 nan 8.190 nan 0.000 0.461 21 T N -3.908 110.577 114.554 -0.114 0.000 3.107 21 T HA 0.006 5.500 4.350 1.907 0.000 0.249 21 T C 1.409 176.147 174.700 0.062 0.000 1.096 21 T CA 0.448 62.514 62.100 -0.056 0.000 1.012 21 T CB -0.508 68.270 68.868 -0.149 0.000 0.977 21 T HN 0.635 nan 8.240 nan 0.000 0.527 22 H N 0.057 119.165 119.070 0.063 0.000 2.462 22 H HA 0.026 5.726 4.556 1.906 0.000 0.292 22 H C 1.959 177.398 175.328 0.185 0.000 1.049 22 H CA 1.314 57.367 56.048 0.009 0.000 1.334 22 H CB -0.204 29.556 29.762 -0.004 0.000 1.404 22 H HN 0.716 nan 8.280 nan 0.000 0.544 23 Y N 1.402 121.879 120.300 0.296 0.000 2.298 23 Y HA -0.150 5.544 4.550 1.907 0.000 0.287 23 Y C 1.472 177.547 175.900 0.291 0.000 1.164 23 Y CA 0.797 59.087 58.100 0.317 0.000 1.229 23 Y CB -0.227 38.176 38.460 -0.096 0.000 0.977 23 Y HN -0.099 nan 8.280 nan 0.000 0.538 24 K N 0.159 120.285 120.400 -0.457 0.000 2.444 24 K HA 0.064 5.528 4.320 1.907 0.000 0.193 24 K C 1.352 177.857 176.600 -0.158 0.000 1.024 24 K CA 0.483 56.535 56.287 -0.391 0.000 1.077 24 K CB 0.136 32.302 32.500 -0.557 0.000 0.833 24 K HN 0.562 nan 8.250 nan 0.000 0.517 25 Q N -0.988 118.753 119.800 -0.098 0.000 2.391 25 Q HA 0.109 5.593 4.340 1.907 0.000 0.243 25 Q C -0.230 175.675 176.000 -0.158 0.000 0.874 25 Q CA -0.095 55.610 55.803 -0.163 0.000 0.950 25 Q CB 0.372 28.957 28.738 -0.254 0.000 1.103 25 Q HN 0.221 nan 8.270 nan 0.000 0.544 26 Y N 2.291 122.618 120.300 0.044 0.000 2.550 26 Y HA 0.020 5.714 4.550 1.906 0.000 0.343 26 Y C -1.778 174.089 175.900 -0.055 0.000 1.245 26 Y CA -1.705 56.410 58.100 0.026 0.000 1.462 26 Y CB -0.167 38.374 38.460 0.136 0.000 1.340 26 Y HN 0.036 nan 8.280 nan 0.000 0.604 27 P HA 0.025 nan 4.420 nan 0.000 0.265 27 P C -2.493 174.771 177.300 -0.060 0.000 1.193 27 P CA -0.814 62.284 63.100 -0.002 0.000 0.765 27 P CB 0.033 31.723 31.700 -0.015 0.000 0.823 28 P HA -0.012 nan 4.420 nan 0.000 0.268 28 P C -0.262 176.966 177.300 -0.120 0.000 1.208 28 P CA 0.319 63.361 63.100 -0.096 0.000 0.777 28 P CB -0.019 31.645 31.700 -0.060 0.000 0.875 29 N N -2.582 116.033 118.700 -0.142 0.000 2.776 29 N HA -0.137 5.747 4.740 1.907 0.000 0.249 29 N C -0.854 174.558 175.510 -0.164 0.000 1.111 29 N CA 0.731 53.705 53.050 -0.128 0.000 0.711 29 N CB -2.087 36.352 38.487 -0.080 0.000 1.065 29 N HN 0.336 nan 8.380 nan 0.000 0.556 30 T N -0.268 114.119 114.554 -0.278 0.000 2.744 30 T HA 0.381 5.875 4.350 1.907 0.000 0.291 30 T C 1.211 175.751 174.700 -0.267 0.000 0.957 30 T CA -0.083 61.844 62.100 -0.287 0.000 1.002 30 T CB 1.222 69.878 68.868 -0.354 0.000 0.919 30 T HN 0.327 nan 8.240 nan 0.000 0.468 31 S N 2.298 117.925 115.700 -0.121 0.000 2.523 31 S HA 0.293 5.907 4.470 1.907 0.000 0.217 31 S C 0.374 174.986 174.600 0.020 0.000 0.996 31 S CA -0.436 57.747 58.200 -0.029 0.000 0.921 31 S CB 0.125 63.314 63.200 -0.018 0.000 0.829 31 S HN 0.498 nan 8.310 nan 0.000 0.495 32 K N 0.824 121.219 120.400 -0.008 0.000 2.565 32 K HA 0.599 6.063 4.320 1.907 0.000 0.251 32 K C -2.078 174.526 176.600 0.005 0.000 0.956 32 K CA -0.437 55.867 56.287 0.027 0.000 0.809 32 K CB 2.151 34.680 32.500 0.048 0.000 1.267 32 K HN 0.002 nan 8.250 nan 0.000 0.438 33 V N 5.172 125.113 119.914 0.045 0.000 2.487 33 V HA 0.472 5.736 4.120 1.907 0.000 0.298 33 V C -1.406 174.806 176.094 0.197 0.000 1.028 33 V CA -0.763 61.572 62.300 0.059 0.000 0.860 33 V CB 1.337 33.123 31.823 -0.063 0.000 0.991 33 V HN 0.773 nan 8.190 nan 0.000 0.427 34 Y N 3.546 123.917 120.300 0.119 0.000 2.361 34 Y HA 0.748 6.442 4.550 1.907 0.000 0.337 34 Y C -0.092 175.880 175.900 0.121 0.000 0.965 34 Y CA -0.050 58.143 58.100 0.155 0.000 1.091 34 Y CB 2.017 40.633 38.460 0.260 0.000 1.182 34 Y HN 0.630 nan 8.280 nan 0.000 0.450 35 S N 4.981 120.542 115.700 -0.230 0.000 2.632 35 S HA 0.611 6.225 4.470 1.907 0.000 0.289 35 S C -1.819 172.456 174.600 -0.541 0.000 1.115 35 S CA -0.703 57.290 58.200 -0.345 0.000 0.889 35 S CB 1.733 64.629 63.200 -0.507 0.000 1.116 35 S HN 0.709 nan 8.310 nan 0.000 0.486 36 Y N -0.349 119.503 120.300 -0.746 0.000 2.588 36 Y HA 0.818 6.511 4.550 1.906 0.000 0.343 36 Y C -1.788 173.775 175.900 -0.562 0.000 1.065 36 Y CA -1.533 56.229 58.100 -0.564 0.000 1.038 36 Y CB 0.973 39.252 38.460 -0.303 0.000 1.297 36 Y HN 0.600 nan 8.280 nan 0.000 0.467 37 F N 2.958 122.435 119.950 -0.789 0.000 2.507 37 F HA 0.638 6.308 4.527 1.905 0.000 0.325 37 F C -0.907 174.659 175.800 -0.390 0.000 1.116 37 F CA -0.341 57.219 58.000 -0.735 0.000 0.930 37 F CB 1.458 39.742 39.000 -1.193 0.000 1.146 37 F HN 0.805 nan 8.300 nan 0.000 0.447 38 E N 3.674 123.491 120.200 -0.638 0.000 2.429 38 E HA 0.503 5.997 4.350 1.907 0.000 0.276 38 E C -1.828 174.500 176.600 -0.452 0.000 0.953 38 E CA -1.170 55.063 56.400 -0.277 0.000 0.787 38 E CB 1.651 31.355 29.700 0.007 0.000 1.307 38 E HN 0.526 nan 8.360 nan 0.000 0.458 39 C N 2.210 121.419 119.300 -0.151 0.000 2.176 39 C HA 0.397 6.001 4.460 1.907 0.000 0.329 39 C C 0.358 175.314 174.990 -0.056 0.000 1.113 39 C CA -0.609 58.349 59.018 -0.100 0.000 1.562 39 C CB -1.329 26.438 27.740 0.045 0.000 2.040 39 C HN 0.524 nan 8.230 nan 0.000 0.460 40 R N 2.108 122.557 120.500 -0.085 0.000 2.640 40 R HA 0.078 5.562 4.340 1.907 0.000 0.270 40 R C 0.707 177.006 176.300 -0.003 0.000 1.024 40 R CA 0.444 56.523 56.100 -0.035 0.000 1.085 40 R CB 0.790 31.066 30.300 -0.039 0.000 0.963 40 R HN 0.782 nan 8.270 nan 0.000 0.426 55 E N 1.119 121.396 120.200 0.129 0.000 2.358 55 E HA -0.067 5.427 4.350 1.907 0.000 0.195 55 E C 0.201 176.859 176.600 0.097 0.000 1.010 55 E CA 0.835 57.293 56.400 0.098 0.000 0.856 55 E CB 0.478 30.215 29.700 0.062 0.000 0.795 55 E HN 0.713 nan 8.360 nan 0.000 0.504 56 E N 0.683 120.948 120.200 0.109 0.000 2.314 56 E HA 0.358 5.852 4.350 1.907 0.000 0.272 56 E C -0.750 175.914 176.600 0.108 0.000 0.884 56 E CA -0.904 55.547 56.400 0.084 0.000 0.753 56 E CB 1.723 31.459 29.700 0.059 0.000 1.213 56 E HN -0.103 nan 8.360 nan 0.000 0.432 57 T N -1.047 113.564 114.554 0.096 0.000 2.856 57 T HA 0.461 5.955 4.350 1.907 0.000 0.283 57 T C -0.136 174.641 174.700 0.128 0.000 1.008 57 T CA -0.829 61.349 62.100 0.129 0.000 0.997 57 T CB 1.340 70.308 68.868 0.167 0.000 0.992 57 T HN 0.297 nan 8.240 nan 0.000 0.454 58 V N 4.029 124.016 119.914 0.122 0.000 2.427 58 V HA 0.274 5.538 4.120 1.907 0.000 0.268 58 V C -0.022 176.191 176.094 0.198 0.000 1.046 58 V CA -0.704 61.666 62.300 0.117 0.000 0.970 58 V CB -0.365 31.479 31.823 0.036 0.000 1.001 58 V HN 0.859 nan 8.190 nan 0.000 0.476 59 F N 7.765 127.775 119.950 0.100 0.000 2.438 59 F HA 0.509 6.179 4.527 1.905 0.000 0.360 59 F C -0.540 175.344 175.800 0.140 0.000 1.118 59 F CA -0.487 57.584 58.000 0.118 0.000 1.164 59 F CB 0.026 39.090 39.000 0.106 0.000 1.131 59 F HN 0.532 nan 8.300 nan 0.000 0.527 60 Y N 4.239 124.170 120.300 -0.615 0.000 2.519 60 Y HA 0.533 6.229 4.550 1.909 0.000 0.336 60 Y C 0.138 175.742 175.900 -0.493 0.000 1.089 60 Y CA -0.773 57.025 58.100 -0.503 0.000 1.025 60 Y CB 2.017 40.298 38.460 -0.298 0.000 1.318 60 Y HN 0.695 nan 8.280 nan 0.000 0.452 61 G N 3.405 111.431 108.800 -1.291 0.000 2.231 61 G HA2 -0.275 4.829 3.960 1.907 0.000 0.206 61 G HA3 -0.275 4.829 3.960 1.907 0.000 0.206 61 G C 0.508 175.139 174.900 -0.448 0.000 0.996 61 G CA 0.199 44.714 45.100 -0.975 0.000 0.645 61 G HN 0.966 nan 8.290 nan 0.000 0.498 62 L N 1.258 122.190 121.223 -0.485 0.000 2.046 62 L HA 0.102 5.586 4.340 1.907 0.000 0.208 62 L C 2.655 179.406 176.870 -0.198 0.000 1.077 62 L CA 3.311 57.949 54.840 -0.337 0.000 0.747 62 L CB -0.562 41.312 42.059 -0.309 0.000 0.896 62 L HN 0.509 nan 8.230 nan 0.000 0.432 63 Q N -1.881 117.857 119.800 -0.103 0.000 2.135 63 Q HA -0.310 5.174 4.340 1.907 0.000 0.204 63 Q C 2.251 178.097 176.000 -0.256 0.000 0.981 63 Q CA 2.179 57.907 55.803 -0.126 0.000 0.856 63 Q CB -0.480 28.191 28.738 -0.113 0.000 0.902 63 Q HN 0.671 nan 8.270 nan 0.000 0.425 64 Y N 0.739 120.783 120.300 -0.427 0.000 2.081 64 Y HA -0.281 5.414 4.550 1.908 0.000 0.280 64 Y C 1.750 177.314 175.900 -0.561 0.000 1.163 64 Y CA 2.166 59.887 58.100 -0.632 0.000 1.135 64 Y CB -0.310 37.849 38.460 -0.502 0.000 0.970 64 Y HN 0.139 nan 8.280 nan 0.000 0.498 65 I N -0.299 120.043 120.570 -0.380 0.000 2.226 65 I HA -0.332 4.982 4.170 1.907 0.000 0.245 65 I C 2.423 178.353 176.117 -0.312 0.000 1.100 65 I CA 1.239 62.341 61.300 -0.330 0.000 1.374 65 I CB -0.531 37.393 38.000 -0.127 0.000 1.057 65 I HN 0.266 nan 8.210 nan 0.000 0.413 66 L N 0.475 121.547 121.223 -0.252 0.000 1.990 66 L HA -0.277 5.207 4.340 1.907 0.000 0.213 66 L C 2.375 179.189 176.870 -0.092 0.000 1.072 66 L CA 1.639 56.388 54.840 -0.152 0.000 0.755 66 L CB -0.838 41.198 42.059 -0.039 0.000 0.889 66 L HN 0.392 nan 8.230 nan 0.000 0.432 67 N N -0.120 118.485 118.700 -0.158 0.000 2.171 67 N HA -0.173 5.711 4.740 1.907 0.000 0.184 67 N C 1.869 177.258 175.510 -0.201 0.000 1.021 67 N CA 1.093 54.086 53.050 -0.095 0.000 0.854 67 N CB -0.016 38.494 38.487 0.038 0.000 0.994 67 N HN 0.316 nan 8.380 nan 0.000 0.426 68 K N -0.137 119.937 120.400 -0.544 0.000 2.103 68 K HA -0.076 5.388 4.320 1.907 0.000 0.204 68 K C 1.045 177.161 176.600 -0.807 0.000 1.052 68 K CA 1.203 56.982 56.287 -0.846 0.000 0.945 68 K CB 0.137 31.630 32.500 -1.678 0.000 0.722 68 K HN 0.243 nan 8.250 nan 0.000 0.443 69 Y N -1.490 118.573 120.300 -0.396 0.000 2.526 69 Y HA 0.174 5.868 4.550 1.906 0.000 0.265 69 Y C 1.548 177.400 175.900 -0.081 0.000 1.092 69 Y CA -0.375 57.505 58.100 -0.367 0.000 1.277 69 Y CB 0.725 38.893 38.460 -0.488 0.000 1.228 69 Y HN -0.119 nan 8.280 nan 0.000 0.507 70 L N 0.414 121.666 121.223 0.048 0.000 2.537 70 L HA 0.122 5.606 4.340 1.907 0.000 0.224 70 L C 0.591 177.610 176.870 0.248 0.000 1.065 70 L CA 0.073 54.951 54.840 0.062 0.000 0.860 70 L CB 0.233 42.131 42.059 -0.268 0.000 1.086 70 L HN -0.010 nan 8.230 nan 0.000 0.482 71 K N 0.740 121.284 120.400 0.241 0.000 2.154 71 K HA 0.548 6.012 4.320 1.907 0.000 0.264 71 K C 0.495 177.107 176.600 0.019 0.000 1.008 71 K CA 0.293 56.727 56.287 0.245 0.000 0.937 71 K CB 1.248 33.844 32.500 0.159 0.000 1.002 71 K HN 0.038 nan 8.250 nan 0.000 0.469 72 G N 1.447 110.161 108.800 -0.143 0.000 2.584 72 G HA2 -0.311 4.793 3.960 1.907 0.000 0.229 72 G HA3 -0.311 4.793 3.960 1.907 0.000 0.229 72 G C -1.064 173.382 174.900 -0.757 0.000 1.320 72 G CA 0.055 44.891 45.100 -0.440 0.000 0.891 72 G HN 0.860 nan 8.290 nan 0.000 0.573 73 K N 0.590 120.692 120.400 -0.496 0.000 2.220 73 K HA 0.448 5.912 4.320 1.907 0.000 0.283 73 K C 1.473 178.039 176.600 -0.056 0.000 1.098 73 K CA 0.295 56.444 56.287 -0.230 0.000 0.928 73 K CB 0.256 32.751 32.500 -0.009 0.000 1.214 73 K HN 1.219 nan 8.250 nan 0.000 0.442 74 V N 1.367 121.282 119.914 0.002 0.000 3.660 74 V HA 0.194 5.458 4.120 1.907 0.000 0.276 74 V C 0.135 176.275 176.094 0.078 0.000 1.317 74 V CA -0.291 62.058 62.300 0.082 0.000 1.097 74 V CB 0.539 32.452 31.823 0.150 0.000 0.863 74 V HN 0.226 nan 8.190 nan 0.000 0.438 75 V N 2.175 122.151 119.914 0.102 0.000 2.495 75 V HA 0.735 5.999 4.120 1.907 0.000 0.298 75 V C 0.168 176.309 176.094 0.078 0.000 1.031 75 V CA 0.444 62.803 62.300 0.098 0.000 0.871 75 V CB 1.444 33.412 31.823 0.242 0.000 0.988 75 V HN 0.646 nan 8.190 nan 0.000 0.432 76 T N 0.480 115.056 114.554 0.037 0.000 2.901 76 T HA 0.469 5.963 4.350 1.907 0.000 0.293 76 T C 0.685 175.404 174.700 0.031 0.000 1.084 76 T CA -0.576 61.546 62.100 0.036 0.000 1.008 76 T CB 2.177 71.055 68.868 0.016 0.000 1.170 76 T HN 0.531 nan 8.240 nan 0.000 0.509 77 K N 0.732 121.153 120.400 0.035 0.000 2.063 77 K HA -0.176 5.288 4.320 1.907 0.000 0.208 77 K C 1.699 178.307 176.600 0.013 0.000 1.048 77 K CA 2.126 58.434 56.287 0.035 0.000 0.928 77 K CB -0.399 32.120 32.500 0.031 0.000 0.713 77 K HN 0.667 nan 8.250 nan 0.000 0.442 78 E N 0.604 120.802 120.200 -0.004 0.000 2.072 78 E HA -0.104 5.391 4.350 1.907 0.000 0.191 78 E C 1.828 178.393 176.600 -0.059 0.000 0.985 78 E CA 1.489 57.873 56.400 -0.027 0.000 0.801 78 E CB 0.009 29.694 29.700 -0.026 0.000 0.750 78 E HN 0.337 nan 8.360 nan 0.000 0.452 79 K N 0.120 120.478 120.400 -0.069 0.000 2.097 79 K HA -0.047 5.417 4.320 1.907 0.000 0.205 79 K C 2.117 178.627 176.600 -0.151 0.000 1.050 79 K CA 1.002 57.211 56.287 -0.129 0.000 0.938 79 K CB -0.152 32.263 32.500 -0.141 0.000 0.718 79 K HN 0.118 nan 8.250 nan 0.000 0.442 80 I N 0.930 121.460 120.570 -0.066 0.000 2.142 80 I HA -0.313 5.001 4.170 1.907 0.000 0.240 80 I C 2.673 178.780 176.117 -0.016 0.000 1.078 80 I CA 1.180 62.495 61.300 0.024 0.000 1.343 80 I CB -0.254 37.837 38.000 0.153 0.000 1.046 80 I HN 0.147 nan 8.210 nan 0.000 0.405 81 Q N 1.230 121.020 119.800 -0.018 0.000 2.061 81 Q HA -0.287 5.197 4.340 1.907 0.000 0.204 81 Q C 2.048 177.974 176.000 -0.124 0.000 0.984 81 Q CA 2.177 57.957 55.803 -0.039 0.000 0.846 81 Q CB -0.309 28.417 28.738 -0.020 0.000 0.902 81 Q HN 0.494 nan 8.270 nan 0.000 0.421 82 E N -0.970 119.136 120.200 -0.156 0.000 2.038 82 E HA -0.254 5.240 4.350 1.907 0.000 0.195 82 E C 1.774 178.175 176.600 -0.331 0.000 1.000 82 E CA 1.280 57.556 56.400 -0.207 0.000 0.803 82 E CB -0.302 29.281 29.700 -0.194 0.000 0.750 82 E HN 0.428 nan 8.360 nan 0.000 0.448 83 A N 1.638 124.197 122.820 -0.436 0.000 1.877 83 A HA -0.237 5.227 4.320 1.907 0.000 0.216 83 A C 2.170 179.278 177.584 -0.794 0.000 1.186 83 A CA 1.885 53.493 52.037 -0.716 0.000 0.620 83 A CB -0.630 17.938 19.000 -0.721 0.000 0.822 83 A HN 0.279 nan 8.150 nan 0.000 0.443 84 K N -0.581 119.409 120.400 -0.682 0.000 2.044 84 K HA -0.253 5.211 4.320 1.907 0.000 0.210 84 K C 1.348 177.866 176.600 -0.138 0.000 1.049 84 K CA 2.008 58.097 56.287 -0.330 0.000 0.927 84 K CB -0.265 32.242 32.500 0.012 0.000 0.713 84 K HN 0.438 nan 8.250 nan 0.000 0.443 85 D N 0.017 120.322 120.400 -0.158 0.000 2.123 85 D HA -0.113 5.671 4.640 1.907 0.000 0.200 85 D C 2.017 178.250 176.300 -0.113 0.000 0.976 85 D CA 0.904 54.846 54.000 -0.096 0.000 0.831 85 D CB -0.204 40.539 40.800 -0.095 0.000 0.974 85 D HN 0.047 nan 8.370 nan 0.000 0.469 86 V N 0.472 120.240 119.914 -0.243 0.000 2.261 86 V HA -0.256 5.008 4.120 1.907 0.000 0.246 86 V C 2.130 178.144 176.094 -0.133 0.000 1.047 86 V CA 1.467 63.597 62.300 -0.282 0.000 1.015 86 V CB -0.789 30.725 31.823 -0.516 0.000 0.642 86 V HN 0.258 nan 8.190 nan 0.000 0.446 87 Y N 0.086 120.385 120.300 -0.002 0.000 2.293 87 Y HA -0.235 5.459 4.550 1.906 0.000 0.291 87 Y C 2.569 178.651 175.900 0.304 0.000 1.137 87 Y CA 1.356 59.597 58.100 0.235 0.000 1.202 87 Y CB -0.183 38.446 38.460 0.281 0.000 0.990 87 Y HN 0.157 nan 8.280 nan 0.000 0.537 88 K N 0.967 121.546 120.400 0.298 0.000 2.063 88 K HA -0.191 5.273 4.320 1.907 0.000 0.208 88 K C 1.568 178.280 176.600 0.187 0.000 1.048 88 K CA 1.836 58.258 56.287 0.224 0.000 0.928 88 K CB -0.183 32.396 32.500 0.133 0.000 0.713 88 K HN 0.191 nan 8.250 nan 0.000 0.442 89 E N -0.997 119.283 120.200 0.134 0.000 2.112 89 E HA -0.140 5.355 4.350 1.907 0.000 0.190 89 E C 2.083 178.749 176.600 0.109 0.000 0.979 89 E CA 0.947 57.404 56.400 0.093 0.000 0.814 89 E CB -0.461 29.264 29.700 0.041 0.000 0.762 89 E HN 0.519 nan 8.360 nan 0.000 0.460 90 H N -0.103 118.973 119.070 0.011 0.000 2.357 90 H HA -0.047 5.653 4.556 1.907 0.000 0.301 90 H C 1.468 176.676 175.328 -0.200 0.000 1.082 90 H CA 1.520 57.496 56.048 -0.120 0.000 1.342 90 H CB -0.242 29.431 29.762 -0.150 0.000 1.389 90 H HN 0.050 nan 8.280 nan 0.000 0.511 91 F N 0.004 119.999 119.950 0.075 0.000 2.698 91 F HA 0.082 5.753 4.527 1.907 0.000 0.295 91 F C 0.749 176.556 175.800 0.012 0.000 1.124 91 F CA 0.293 58.291 58.000 -0.003 0.000 1.426 91 F CB 0.379 39.416 39.000 0.063 0.000 1.120 91 F HN 0.027 nan 8.300 nan 0.000 0.583 92 Q N 1.303 121.217 119.800 0.191 0.000 2.468 92 Q HA -0.259 5.225 4.340 1.907 0.000 0.289 92 Q C -0.986 175.096 176.000 0.137 0.000 1.299 92 Q CA 1.315 57.192 55.803 0.124 0.000 0.838 92 Q CB -1.928 26.852 28.738 0.071 0.000 1.195 92 Q HN 0.646 nan 8.270 nan 0.000 0.456 93 D N -1.820 118.688 120.400 0.179 0.000 2.766 93 D HA 0.154 5.938 4.640 1.907 0.000 0.244 93 D C -0.699 175.694 176.300 0.156 0.000 1.198 93 D CA -0.465 53.619 54.000 0.141 0.000 0.739 93 D CB 0.641 41.514 40.800 0.121 0.000 1.379 93 D HN -0.161 nan 8.370 nan 0.000 0.437 94 D N 1.400 121.867 120.400 0.113 0.000 2.336 94 D HA 0.013 5.797 4.640 1.907 0.000 0.229 94 D C 2.157 178.541 176.300 0.139 0.000 1.061 94 D CA 0.432 54.513 54.000 0.136 0.000 0.875 94 D CB 0.180 41.045 40.800 0.109 0.000 0.904 94 D HN 0.335 nan 8.370 nan 0.000 0.525 95 V N -1.005 118.941 119.914 0.052 0.000 2.736 95 V HA -0.237 5.027 4.120 1.907 0.000 0.262 95 V C 1.127 177.308 176.094 0.145 0.000 1.114 95 V CA 0.574 62.874 62.300 0.000 0.000 1.133 95 V CB -1.693 29.950 31.823 -0.299 0.000 0.703 95 V HN 0.035 nan 8.190 nan 0.000 0.495 96 F N 3.145 123.107 119.950 0.021 0.000 2.608 96 F HA 0.260 5.931 4.527 1.906 0.000 0.380 96 F C 0.836 176.583 175.800 -0.088 0.000 1.083 96 F CA -0.816 57.197 58.000 0.022 0.000 1.266 96 F CB -0.043 39.059 39.000 0.171 0.000 1.076 96 F HN 0.095 nan 8.300 nan 0.000 0.574 97 N N 5.118 123.130 118.700 -1.147 0.000 3.103 97 N HA -0.062 5.822 4.740 1.907 0.000 0.305 97 N C 1.236 176.000 175.510 -1.243 0.000 1.232 97 N CA 0.394 52.577 53.050 -1.445 0.000 1.190 97 N CB -0.449 36.750 38.487 -2.147 0.000 1.461 97 N HN 0.886 nan 8.380 nan 0.000 0.538 98 E N 1.533 121.202 120.200 -0.885 0.000 2.085 98 E HA -0.231 5.263 4.350 1.907 0.000 0.194 98 E C 1.098 177.578 176.600 -0.200 0.000 0.994 98 E CA 1.226 57.395 56.400 -0.384 0.000 0.801 98 E CB 0.238 29.941 29.700 0.005 0.000 0.743 98 E HN 0.452 nan 8.360 nan 0.000 0.453 99 K N -0.265 120.010 120.400 -0.208 0.000 2.009 99 K HA -0.138 5.326 4.320 1.907 0.000 0.210 99 K C 2.247 178.785 176.600 -0.102 0.000 1.049 99 K CA 1.204 57.431 56.287 -0.101 0.000 0.929 99 K CB -0.480 31.971 32.500 -0.081 0.000 0.714 99 K HN 0.253 nan 8.250 nan 0.000 0.440 100 G N 0.682 109.283 108.800 -0.332 0.000 2.491 100 G HA2 -0.261 4.843 3.960 1.907 0.000 0.218 100 G HA3 -0.261 4.843 3.960 1.907 0.000 0.218 100 G C 1.160 176.006 174.900 -0.090 0.000 1.180 100 G CA 0.993 45.901 45.100 -0.320 0.000 0.774 100 G HN 0.384 nan 8.290 nan 0.000 0.562 101 W N 0.751 121.925 121.300 -0.209 0.000 2.381 101 W HA 0.014 5.817 4.660 1.906 0.000 0.301 101 W C 2.687 179.244 176.519 0.064 0.000 1.205 101 W CA 0.667 57.994 57.345 -0.029 0.000 1.285 101 W CB -0.113 29.272 29.460 -0.126 0.000 1.133 101 W HN 0.110 nan 8.180 nan 0.000 0.521 102 N N -0.445 118.399 118.700 0.239 0.000 2.166 102 N HA -0.249 5.635 4.740 1.907 0.000 0.186 102 N C 1.508 177.122 175.510 0.174 0.000 1.019 102 N CA 1.459 54.619 53.050 0.184 0.000 0.856 102 N CB -0.701 37.862 38.487 0.126 0.000 0.993 102 N HN 0.235 nan 8.380 nan 0.000 0.426 103 Y N 1.686 122.032 120.300 0.077 0.000 2.165 103 Y HA -0.131 5.563 4.550 1.907 0.000 0.286 103 Y C 2.238 178.211 175.900 0.121 0.000 1.155 103 Y CA 1.448 59.593 58.100 0.074 0.000 1.164 103 Y CB -0.335 38.168 38.460 0.072 0.000 0.978 103 Y HN 0.011 nan 8.280 nan 0.000 0.513 104 I N -0.864 119.833 120.570 0.211 0.000 2.252 104 I HA -0.269 5.045 4.170 1.907 0.000 0.245 104 I C 2.280 178.497 176.117 0.168 0.000 1.102 104 I CA 1.011 62.442 61.300 0.217 0.000 1.385 104 I CB -0.492 37.647 38.000 0.231 0.000 1.064 104 I HN 0.297 nan 8.210 nan 0.000 0.414 105 L N 1.112 122.437 121.223 0.169 0.000 1.989 105 L HA -0.243 5.241 4.340 1.907 0.000 0.211 105 L C 2.326 179.214 176.870 0.030 0.000 1.071 105 L CA 2.039 56.955 54.840 0.127 0.000 0.749 105 L CB -0.667 41.471 42.059 0.132 0.000 0.890 105 L HN 0.175 nan 8.230 nan 0.000 0.431 106 E N -0.941 119.237 120.200 -0.037 0.000 2.107 106 E HA -0.235 5.259 4.350 1.907 0.000 0.191 106 E C 2.122 178.590 176.600 -0.221 0.000 0.982 106 E CA 1.312 57.651 56.400 -0.100 0.000 0.809 106 E CB -0.023 29.627 29.700 -0.083 0.000 0.756 106 E HN 0.455 nan 8.360 nan 0.000 0.459 107 K N -0.560 119.592 120.400 -0.413 0.000 2.211 107 K HA -0.018 5.446 4.320 1.907 0.000 0.201 107 K C 0.500 176.659 176.600 -0.736 0.000 1.052 107 K CA 0.734 56.603 56.287 -0.696 0.000 0.973 107 K CB 0.326 32.121 32.500 -1.175 0.000 0.766 107 K HN 0.110 nan 8.250 nan 0.000 0.466 108 Y N 0.400 120.622 120.300 -0.130 0.000 2.682 108 Y HA 0.180 5.874 4.550 1.907 0.000 0.251 108 Y C -0.515 175.388 175.900 0.004 0.000 1.172 108 Y CA -0.533 57.526 58.100 -0.068 0.000 1.186 108 Y CB 0.705 39.151 38.460 -0.024 0.000 1.216 108 Y HN 0.127 nan 8.280 nan 0.000 0.540 109 D N 1.204 121.657 120.400 0.089 0.000 2.701 109 D HA -0.211 5.573 4.640 1.907 0.000 0.235 109 D C 1.309 177.786 176.300 0.294 0.000 1.155 109 D CA 1.539 55.622 54.000 0.138 0.000 0.649 109 D CB -1.093 39.755 40.800 0.080 0.000 1.050 109 D HN 0.756 nan 8.370 nan 0.000 0.425 110 G N -0.466 108.490 108.800 0.261 0.000 2.168 110 G HA2 -0.351 4.753 3.960 1.907 0.000 0.263 110 G HA3 -0.351 4.753 3.960 1.907 0.000 0.263 110 G C 0.120 175.173 174.900 0.254 0.000 0.977 110 G CA 0.490 45.740 45.100 0.250 0.000 0.659 110 G HN 0.706 nan 8.290 nan 0.000 0.533 111 H N -0.385 118.776 119.070 0.151 0.000 2.527 111 H HA 0.563 6.263 4.556 1.907 0.000 0.321 111 H C 1.026 176.390 175.328 0.061 0.000 1.087 111 H CA -0.593 55.521 56.048 0.109 0.000 1.337 111 H CB 0.825 30.622 29.762 0.058 0.000 1.440 111 H HN 0.226 nan 8.280 nan 0.000 0.490 112 L N 5.698 127.028 121.223 0.179 0.000 2.418 112 L HA 0.165 5.649 4.340 1.907 0.000 0.274 112 L C -1.803 175.050 176.870 -0.028 0.000 1.135 112 L CA -1.759 53.137 54.840 0.094 0.000 0.870 112 L CB 0.374 42.554 42.059 0.201 0.000 1.154 112 L HN 0.490 nan 8.230 nan 0.000 0.462 113 P HA 0.193 nan 4.420 nan 0.000 0.230 113 P C -0.630 176.577 177.300 -0.154 0.000 1.791 113 P CA 0.293 63.181 63.100 -0.353 0.000 1.020 113 P CB -0.143 31.227 31.700 -0.550 0.000 1.977 114 I N 0.892 121.470 120.570 0.013 0.000 2.582 114 I HA 0.346 5.660 4.170 1.907 0.000 0.292 114 I C 0.226 176.470 176.117 0.212 0.000 1.066 114 I CA -0.865 60.499 61.300 0.107 0.000 1.053 114 I CB 2.805 40.890 38.000 0.142 0.000 1.241 114 I HN 0.109 nan 8.210 nan 0.000 0.421 115 E N 6.329 126.625 120.200 0.160 0.000 2.171 115 E HA 0.624 6.118 4.350 1.907 0.000 0.271 115 E C -1.441 175.273 176.600 0.190 0.000 0.916 115 E CA -0.545 55.968 56.400 0.187 0.000 0.774 115 E CB 1.761 31.532 29.700 0.119 0.000 1.128 115 E HN 0.450 nan 8.360 nan 0.000 0.403 116 I N 4.287 124.996 120.570 0.232 0.000 2.436 116 I HA 0.342 5.656 4.170 1.907 0.000 0.289 116 I C -0.407 175.809 176.117 0.164 0.000 1.010 116 I CA -0.764 60.640 61.300 0.173 0.000 1.098 116 I CB 1.705 39.764 38.000 0.100 0.000 1.266 116 I HN 0.291 nan 8.210 nan 0.000 0.434 117 K N 5.307 125.796 120.400 0.148 0.000 2.244 117 K HA 0.873 6.337 4.320 1.907 0.000 0.260 117 K C -0.963 175.718 176.600 0.136 0.000 0.951 117 K CA -0.645 55.718 56.287 0.127 0.000 0.826 117 K CB 2.610 35.162 32.500 0.086 0.000 1.108 117 K HN 0.690 nan 8.250 nan 0.000 0.433 118 A N 1.853 124.742 122.820 0.116 0.000 2.515 118 A HA 0.424 5.888 4.320 1.907 0.000 0.298 118 A C -1.022 176.544 177.584 -0.030 0.000 1.059 118 A CA -0.724 51.344 52.037 0.051 0.000 0.698 118 A CB 1.604 20.687 19.000 0.138 0.000 1.289 118 A HN 0.480 nan 8.150 nan 0.000 0.404 119 V N 2.218 121.980 119.914 -0.254 0.000 2.843 119 V HA 0.298 5.562 4.120 1.907 0.000 0.305 119 V C -2.140 173.800 176.094 -0.257 0.000 1.065 119 V CA -1.230 60.895 62.300 -0.292 0.000 1.116 119 V CB 0.937 32.554 31.823 -0.344 0.000 0.968 119 V HN 0.786 nan 8.190 nan 0.000 0.487 120 P HA 0.109 nan 4.420 nan 0.000 0.268 120 P C -0.620 176.428 177.300 -0.420 0.000 1.205 120 P CA 0.042 62.692 63.100 -0.750 0.000 0.771 120 P CB 0.288 31.366 31.700 -1.037 0.000 0.858 121 E N 1.498 121.390 120.200 -0.513 0.000 2.414 121 E HA 0.214 5.708 4.350 1.907 0.000 0.263 121 E C 1.244 177.824 176.600 -0.033 0.000 1.000 121 E CA 0.874 57.234 56.400 -0.066 0.000 0.914 121 E CB 0.016 29.730 29.700 0.022 0.000 0.948 121 E HN 0.793 nan 8.360 nan 0.000 0.444 122 G N 2.870 111.722 108.800 0.088 0.000 2.258 122 G HA2 -0.281 4.823 3.960 1.907 0.000 0.233 122 G HA3 -0.281 4.823 3.960 1.907 0.000 0.233 122 G C 0.067 175.067 174.900 0.165 0.000 1.006 122 G CA -0.399 44.726 45.100 0.042 0.000 0.620 122 G HN 0.440 nan 8.290 nan 0.000 0.511 123 F N 1.167 121.116 119.950 -0.002 0.000 2.602 123 F HA 0.430 6.102 4.527 1.909 0.000 0.367 123 F C 1.030 176.828 175.800 -0.003 0.000 1.126 123 F CA -0.098 57.905 58.000 0.004 0.000 1.321 123 F CB 1.161 40.161 39.000 0.002 0.000 1.094 123 F HN 0.013 nan 8.300 nan 0.000 0.594 124 V N 6.244 126.155 119.914 -0.004 0.000 2.328 124 V HA 0.353 5.617 4.120 1.907 0.000 0.278 124 V C -0.108 175.898 176.094 -0.146 0.000 1.021 124 V CA -0.598 61.685 62.300 -0.027 0.000 0.838 124 V CB 1.044 32.847 31.823 -0.033 0.000 0.999 124 V HN 0.336 nan 8.190 nan 0.000 0.447 125 I N 6.629 127.107 120.570 -0.153 0.000 2.498 125 I HA 0.481 5.795 4.170 1.907 0.000 0.290 125 I C -2.527 173.504 176.117 -0.145 0.000 1.032 125 I CA -2.759 58.318 61.300 -0.372 0.000 1.073 125 I CB 2.118 39.918 38.000 -0.334 0.000 1.251 125 I HN 0.340 nan 8.210 nan 0.000 0.426 126 P HA 0.120 nan 4.420 nan 0.000 0.267 126 P C -0.044 177.268 177.300 0.020 0.000 1.200 126 P CA -0.188 62.924 63.100 0.020 0.000 0.772 126 P CB 0.479 32.232 31.700 0.088 0.000 0.855 127 R N 1.499 122.028 120.500 0.048 0.000 2.698 127 R HA 0.254 5.738 4.340 1.907 0.000 0.266 127 R C 1.267 177.590 176.300 0.037 0.000 1.026 127 R CA 1.261 57.389 56.100 0.047 0.000 1.102 127 R CB -0.559 29.776 30.300 0.058 0.000 0.978 127 R HN 0.895 nan 8.270 nan 0.000 0.436 128 G N 1.420 110.238 108.800 0.030 0.000 2.132 128 G HA2 -0.231 4.873 3.960 1.907 0.000 0.228 128 G HA3 -0.231 4.873 3.960 1.907 0.000 0.228 128 G C -0.343 174.576 174.900 0.032 0.000 1.000 128 G CA -0.336 44.783 45.100 0.031 0.000 0.693 128 G HN 0.619 nan 8.290 nan 0.000 0.515 129 N N -0.694 118.022 118.700 0.027 0.000 2.319 129 N HA 0.497 6.381 4.740 1.907 0.000 0.305 129 N C 0.055 175.581 175.510 0.026 0.000 1.103 129 N CA -0.379 52.679 53.050 0.013 0.000 0.815 129 N CB 2.446 40.927 38.487 -0.010 0.000 1.288 129 N HN 0.219 nan 8.380 nan 0.000 0.493 130 V N 2.647 122.565 119.914 0.006 0.000 2.585 130 V HA 0.067 5.331 4.120 1.907 0.000 0.296 130 V C 0.930 177.009 176.094 -0.026 0.000 1.035 130 V CA 0.613 62.936 62.300 0.039 0.000 1.084 130 V CB -0.047 31.761 31.823 -0.026 0.000 0.953 130 V HN 0.560 nan 8.190 nan 0.000 0.483 131 L N 6.426 127.632 121.223 -0.029 0.000 2.467 131 L HA 0.425 5.909 4.340 1.907 0.000 0.213 131 L C 0.117 176.863 176.870 -0.207 0.000 1.053 131 L CA 0.234 54.954 54.840 -0.200 0.000 0.847 131 L CB 0.140 42.143 42.059 -0.093 0.000 1.075 131 L HN 0.755 nan 8.230 nan 0.000 0.479 132 F N -1.523 118.381 119.950 -0.077 0.000 2.668 132 F HA 0.663 6.334 4.527 1.906 0.000 0.309 132 F C -0.679 175.138 175.800 0.029 0.000 1.117 132 F CA -1.017 56.953 58.000 -0.050 0.000 0.951 132 F CB 1.109 40.093 39.000 -0.028 0.000 1.323 132 F HN -0.187 nan 8.300 nan 0.000 0.451 133 T N -0.314 114.354 114.554 0.190 0.000 2.907 133 T HA 0.850 6.344 4.350 1.907 0.000 0.292 133 T C -1.512 173.217 174.700 0.049 0.000 1.043 133 T CA -0.860 61.205 62.100 -0.058 0.000 1.003 133 T CB 1.716 70.410 68.868 -0.290 0.000 1.084 133 T HN 0.843 nan 8.240 nan 0.000 0.483 134 V N 2.374 122.233 119.914 -0.091 0.000 2.638 134 V HA 0.715 5.979 4.120 1.907 0.000 0.306 134 V C -0.537 175.533 176.094 -0.039 0.000 1.052 134 V CA -0.823 61.521 62.300 0.072 0.000 0.885 134 V CB 1.476 33.490 31.823 0.319 0.000 0.999 134 V HN 1.167 nan 8.190 nan 0.000 0.424 135 E N 3.275 123.506 120.200 0.051 0.000 2.408 135 E HA 0.458 5.952 4.350 1.907 0.000 0.275 135 E C -1.460 175.182 176.600 0.070 0.000 0.935 135 E CA -1.015 55.448 56.400 0.106 0.000 0.775 135 E CB 2.233 32.080 29.700 0.245 0.000 1.277 135 E HN 0.620 nan 8.360 nan 0.000 0.455 136 N N 0.771 119.490 118.700 0.031 0.000 2.530 136 N HA 0.042 5.926 4.740 1.907 0.000 0.277 136 N C 0.422 175.929 175.510 -0.006 0.000 1.168 136 N CA 0.011 53.033 53.050 -0.046 0.000 0.979 136 N CB 1.454 39.858 38.487 -0.139 0.000 1.141 136 N HN 0.679 nan 8.380 nan 0.000 0.459 137 T N -3.715 110.815 114.554 -0.040 0.000 3.054 137 T HA 0.063 5.557 4.350 1.907 0.000 0.255 137 T C -0.122 174.580 174.700 0.004 0.000 1.035 137 T CA -0.139 61.955 62.100 -0.011 0.000 0.941 137 T CB 0.044 68.892 68.868 -0.034 0.000 1.026 137 T HN 0.563 nan 8.240 nan 0.000 0.533 138 D N 1.628 122.023 120.400 -0.007 0.000 2.593 138 D HA 0.315 6.099 4.640 1.907 0.000 0.251 138 D C -1.962 174.367 176.300 0.048 0.000 1.140 138 D CA -2.392 51.655 54.000 0.077 0.000 0.855 138 D CB 2.809 43.724 40.800 0.192 0.000 1.267 138 D HN -0.171 nan 8.370 nan 0.000 0.532 139 P HA -0.160 nan 4.420 nan 0.000 0.217 139 P C 0.894 178.244 177.300 0.084 0.000 1.148 139 P CA 0.846 63.982 63.100 0.059 0.000 0.828 139 P CB 0.595 32.323 31.700 0.046 0.000 0.783 140 E N -0.835 119.378 120.200 0.022 0.000 2.265 140 E HA -0.102 5.392 4.350 1.907 0.000 0.196 140 E C 1.114 177.704 176.600 -0.018 0.000 0.996 140 E CA 0.698 57.068 56.400 -0.049 0.000 0.832 140 E CB -0.721 28.678 29.700 -0.501 0.000 0.756 140 E HN 0.292 nan 8.360 nan 0.000 0.491 141 C N 1.418 120.617 119.300 -0.168 0.000 2.563 141 C HA 0.145 5.749 4.460 1.907 0.000 0.307 141 C C 1.787 176.304 174.990 -0.788 0.000 1.371 141 C CA -1.005 57.617 59.018 -0.660 0.000 1.772 141 C CB -2.135 25.275 27.740 -0.550 0.000 2.283 141 C HN 0.474 nan 8.230 nan 0.000 0.570 142 Y N 0.255 120.348 120.300 -0.345 0.000 2.193 142 Y HA -0.219 5.475 4.550 1.907 0.000 0.285 142 Y C 2.193 177.908 175.900 -0.309 0.000 1.166 142 Y CA 1.724 59.666 58.100 -0.264 0.000 1.181 142 Y CB -0.960 37.404 38.460 -0.161 0.000 0.976 142 Y HN 0.630 nan 8.280 nan 0.000 0.520 143 W N 0.161 120.855 121.300 -1.010 0.000 2.678 143 W HA 0.054 5.858 4.660 1.907 0.000 0.256 143 W C 1.219 177.661 176.519 -0.128 0.000 1.280 143 W CA 0.256 57.301 57.345 -0.501 0.000 1.345 143 W CB -0.879 28.261 29.460 -0.534 0.000 1.118 143 W HN 0.259 nan 8.180 nan 0.000 0.629 144 L N 2.468 123.075 121.223 -1.026 0.000 2.240 144 L HA -0.028 5.456 4.340 1.907 0.000 0.211 144 L C 2.394 179.169 176.870 -0.158 0.000 1.106 144 L CA 2.202 56.550 54.840 -0.821 0.000 0.793 144 L CB -1.002 40.292 42.059 -1.274 0.000 0.927 144 L HN -0.180 nan 8.230 nan 0.000 0.446 145 T N 0.214 114.703 114.554 -0.109 0.000 2.635 145 T HA -0.195 5.299 4.350 1.907 0.000 0.267 145 T C 1.547 176.411 174.700 0.274 0.000 1.040 145 T CA 2.136 64.292 62.100 0.092 0.000 1.156 145 T CB -0.277 68.647 68.868 0.095 0.000 0.863 145 T HN 0.330 nan 8.240 nan 0.000 0.430 146 N N -0.380 118.517 118.700 0.328 0.000 2.373 146 N HA 0.088 5.972 4.740 1.907 0.000 0.181 146 N C 1.156 176.864 175.510 0.329 0.000 1.082 146 N CA -0.084 53.203 53.050 0.395 0.000 0.885 146 N CB -0.147 38.623 38.487 0.471 0.000 0.977 146 N HN 0.443 nan 8.380 nan 0.000 0.462 147 W N 2.101 123.533 121.300 0.219 0.000 2.318 147 W HA -0.165 5.639 4.660 1.907 0.000 0.313 147 W C 1.132 177.746 176.519 0.159 0.000 1.221 147 W CA 1.276 58.770 57.345 0.248 0.000 1.266 147 W CB -0.151 29.529 29.460 0.368 0.000 1.150 147 W HN 0.086 nan 8.180 nan 0.000 0.496 148 I N -1.224 119.568 120.570 0.370 0.000 3.735 148 I HA 0.046 5.360 4.170 1.907 0.000 0.310 148 I C 1.857 177.923 176.117 -0.084 0.000 1.270 148 I CA 0.771 62.185 61.300 0.191 0.000 1.207 148 I CB -0.696 37.405 38.000 0.168 0.000 1.013 148 I HN -0.024 nan 8.210 nan 0.000 0.452 149 E N 2.173 122.226 120.200 -0.244 0.000 2.086 149 E HA -0.253 5.241 4.350 1.907 0.000 0.200 149 E C 1.779 178.186 176.600 -0.322 0.000 1.012 149 E CA 2.747 58.723 56.400 -0.708 0.000 0.812 149 E CB -0.054 29.339 29.700 -0.512 0.000 0.743 149 E HN 0.594 nan 8.360 nan 0.000 0.453 150 T N 1.246 115.731 114.554 -0.115 0.000 2.708 150 T HA -0.159 5.335 4.350 1.907 0.000 0.266 150 T C 1.952 176.653 174.700 0.001 0.000 1.037 150 T CA 1.361 63.449 62.100 -0.021 0.000 1.146 150 T CB -0.302 68.562 68.868 -0.007 0.000 0.865 150 T HN 0.257 nan 8.240 nan 0.000 0.435 151 I N 0.334 120.895 120.570 -0.014 0.000 2.315 151 I HA -0.068 5.246 4.170 1.907 0.000 0.248 151 I C 1.943 178.047 176.117 -0.021 0.000 1.117 151 I CA 1.130 62.418 61.300 -0.021 0.000 1.404 151 I CB -0.010 37.983 38.000 -0.011 0.000 1.071 151 I HN 0.205 nan 8.210 nan 0.000 0.419 152 L N -0.696 120.502 121.223 -0.043 0.000 2.131 152 L HA -0.122 5.362 4.340 1.907 0.000 0.206 152 L C 2.413 179.358 176.870 0.126 0.000 1.087 152 L CA 0.540 55.371 54.840 -0.015 0.000 0.767 152 L CB -0.466 41.602 42.059 0.014 0.000 0.917 152 L HN 0.044 nan 8.230 nan 0.000 0.441 153 V N -0.223 119.796 119.914 0.176 0.000 2.594 153 V HA -0.281 4.983 4.120 1.907 0.000 0.253 153 V C 2.324 178.709 176.094 0.484 0.000 1.069 153 V CA 1.441 63.994 62.300 0.423 0.000 1.082 153 V CB -0.557 31.469 31.823 0.338 0.000 0.680 153 V HN 0.523 nan 8.190 nan 0.000 0.469 154 Q N 0.272 120.250 119.800 0.295 0.000 2.443 154 Q HA -0.174 5.310 4.340 1.907 0.000 0.213 154 Q C 2.323 178.320 176.000 -0.005 0.000 0.982 154 Q CA 1.475 57.401 55.803 0.204 0.000 0.894 154 Q CB -0.298 28.497 28.738 0.094 0.000 0.947 154 Q HN 0.848 nan 8.270 nan 0.000 0.480 155 S N 0.710 116.429 115.700 0.031 0.000 2.465 155 S HA -0.164 5.450 4.470 1.907 0.000 0.241 155 S C 1.584 176.186 174.600 0.003 0.000 1.000 155 S CA 0.750 58.895 58.200 -0.092 0.000 0.964 155 S CB -0.840 62.243 63.200 -0.195 0.000 0.763 155 S HN 0.704 nan 8.310 nan 0.000 0.512 156 W N 0.932 122.377 121.300 0.242 0.000 2.331 156 W HA -0.243 5.559 4.660 1.904 0.000 0.291 156 W C 1.822 178.463 176.519 0.203 0.000 1.214 156 W CA 0.914 58.448 57.345 0.316 0.000 1.228 156 W CB -1.120 28.526 29.460 0.311 0.000 1.135 156 W HN 0.407 nan 8.180 nan 0.000 0.537 157 Y N 4.066 123.678 120.300 -1.147 0.000 2.130 157 Y HA -0.046 5.649 4.550 1.909 0.000 0.287 157 Y C -0.138 175.454 175.900 -0.513 0.000 1.124 157 Y CA 1.790 59.052 58.100 -1.397 0.000 1.118 157 Y CB -1.899 35.671 38.460 -1.483 0.000 0.994 157 Y HN -0.248 nan 8.280 nan 0.000 0.497 158 P HA -0.170 nan 4.420 nan 0.000 0.217 158 P C 1.812 179.001 177.300 -0.185 0.000 1.150 158 P CA 1.944 64.797 63.100 -0.410 0.000 0.832 158 P CB -0.154 31.345 31.700 -0.336 0.000 0.787 159 I N -0.169 120.326 120.570 -0.125 0.000 2.163 159 I HA -0.242 5.072 4.170 1.907 0.000 0.243 159 I C 2.298 178.432 176.117 0.030 0.000 1.085 159 I CA 2.002 63.319 61.300 0.027 0.000 1.347 159 I CB -1.263 36.845 38.000 0.180 0.000 1.044 159 I HN 0.006 nan 8.210 nan 0.000 0.408 160 T N 0.234 114.797 114.554 0.015 0.000 2.812 160 T HA -0.085 5.409 4.350 1.907 0.000 0.264 160 T C 2.010 176.682 174.700 -0.046 0.000 1.042 160 T CA 1.065 63.191 62.100 0.045 0.000 1.140 160 T CB -0.227 68.792 68.868 0.251 0.000 0.870 160 T HN 0.091 nan 8.240 nan 0.000 0.445 161 V N 1.860 121.656 119.914 -0.197 0.000 2.295 161 V HA -0.170 5.094 4.120 1.907 0.000 0.246 161 V C 2.928 178.985 176.094 -0.061 0.000 1.049 161 V CA 1.769 63.958 62.300 -0.185 0.000 1.024 161 V CB -1.236 30.346 31.823 -0.401 0.000 0.648 161 V HN 0.522 nan 8.190 nan 0.000 0.447 162 A N -0.319 122.462 122.820 -0.064 0.000 1.902 162 A HA -0.233 5.231 4.320 1.907 0.000 0.217 162 A C 2.395 179.988 177.584 0.016 0.000 1.181 162 A CA 2.599 54.613 52.037 -0.038 0.000 0.623 162 A CB -0.975 17.989 19.000 -0.060 0.000 0.818 162 A HN 0.520 nan 8.150 nan 0.000 0.443 163 T N 0.034 114.615 114.554 0.044 0.000 2.701 163 T HA -0.151 5.343 4.350 1.907 0.000 0.263 163 T C 1.964 176.765 174.700 0.167 0.000 1.040 163 T CA 1.664 63.825 62.100 0.102 0.000 1.147 163 T CB -0.464 68.470 68.868 0.111 0.000 0.865 163 T HN 0.658 nan 8.240 nan 0.000 0.426 164 N N 0.762 119.555 118.700 0.154 0.000 2.166 164 N HA -0.096 5.788 4.740 1.907 0.000 0.186 164 N C 1.995 177.618 175.510 0.188 0.000 1.019 164 N CA 1.522 54.717 53.050 0.242 0.000 0.856 164 N CB -0.371 38.209 38.487 0.155 0.000 0.993 164 N HN 0.233 nan 8.380 nan 0.000 0.426 165 S N -0.082 115.716 115.700 0.163 0.000 2.356 165 S HA -0.115 5.499 4.470 1.907 0.000 0.223 165 S C 2.011 176.781 174.600 0.282 0.000 1.032 165 S CA 1.074 59.427 58.200 0.254 0.000 1.005 165 S CB -0.371 63.032 63.200 0.338 0.000 0.867 165 S HN 0.436 nan 8.310 nan 0.000 0.449 166 R N 0.448 121.037 120.500 0.148 0.000 2.096 166 R HA -0.056 5.428 4.340 1.907 0.000 0.235 166 R C 2.095 178.442 176.300 0.079 0.000 1.127 166 R CA 1.567 57.704 56.100 0.061 0.000 0.968 166 R CB -0.224 30.076 30.300 0.000 0.000 0.861 166 R HN 0.347 nan 8.270 nan 0.000 0.440 167 E N 0.764 121.030 120.200 0.110 0.000 2.110 167 E HA -0.222 5.272 4.350 1.907 0.000 0.193 167 E C 1.986 178.621 176.600 0.057 0.000 0.988 167 E CA 1.328 57.768 56.400 0.067 0.000 0.804 167 E CB -0.117 29.619 29.700 0.061 0.000 0.745 167 E HN 0.537 nan 8.360 nan 0.000 0.458 168 Q N 0.348 120.208 119.800 0.100 0.000 2.119 168 Q HA -0.124 5.360 4.340 1.907 0.000 0.201 168 Q C 2.192 178.293 176.000 0.168 0.000 0.972 168 Q CA 1.250 57.101 55.803 0.080 0.000 0.847 168 Q CB -0.090 28.676 28.738 0.047 0.000 0.903 168 Q HN 0.097 nan 8.270 nan 0.000 0.433 169 K N 1.137 121.706 120.400 0.281 0.000 2.103 169 K HA -0.189 5.275 4.320 1.907 0.000 0.207 169 K C 1.768 178.412 176.600 0.074 0.000 1.048 169 K CA 1.303 57.719 56.287 0.214 0.000 0.930 169 K CB 0.147 32.574 32.500 -0.121 0.000 0.716 169 K HN 0.019 nan 8.250 nan 0.000 0.444 170 K N 0.311 120.738 120.400 0.044 0.000 2.057 170 K HA -0.121 5.343 4.320 1.907 0.000 0.207 170 K C 2.114 178.749 176.600 0.059 0.000 1.049 170 K CA 1.664 57.967 56.287 0.025 0.000 0.931 170 K CB -0.164 32.342 32.500 0.009 0.000 0.714 170 K HN 0.181 nan 8.250 nan 0.000 0.440 171 I N 1.201 121.815 120.570 0.073 0.000 2.142 171 I HA -0.304 5.010 4.170 1.907 0.000 0.240 171 I C 2.276 178.502 176.117 0.182 0.000 1.078 171 I CA 1.246 62.619 61.300 0.122 0.000 1.343 171 I CB -0.295 37.722 38.000 0.030 0.000 1.046 171 I HN 0.106 nan 8.210 nan 0.000 0.405 172 L N 0.510 121.807 121.223 0.123 0.000 2.012 172 L HA -0.248 5.236 4.340 1.907 0.000 0.210 172 L C 2.868 179.829 176.870 0.153 0.000 1.073 172 L CA 1.538 56.470 54.840 0.153 0.000 0.748 172 L CB -0.765 41.411 42.059 0.196 0.000 0.891 172 L HN 0.269 nan 8.230 nan 0.000 0.431 173 A N -0.012 122.870 122.820 0.103 0.000 1.908 173 A HA -0.283 5.181 4.320 1.907 0.000 0.218 173 A C 2.392 180.002 177.584 0.043 0.000 1.181 173 A CA 2.174 54.243 52.037 0.053 0.000 0.627 173 A CB -0.517 18.488 19.000 0.008 0.000 0.818 173 A HN 0.379 nan 8.150 nan 0.000 0.445 174 K N -1.652 118.780 120.400 0.052 0.000 2.002 174 K HA -0.199 5.265 4.320 1.907 0.000 0.209 174 K C 1.862 178.409 176.600 -0.089 0.000 1.048 174 K CA 1.958 58.228 56.287 -0.029 0.000 0.930 174 K CB -0.397 32.080 32.500 -0.039 0.000 0.714 174 K HN 0.499 nan 8.250 nan 0.000 0.438 175 Y N 0.511 120.798 120.300 -0.021 0.000 2.314 175 Y HA -0.149 4.390 4.550 -0.019 0.000 0.293 175 Y C 2.065 177.930 175.900 -0.059 0.000 1.129 175 Y CA 0.801 58.878 58.100 -0.039 0.000 1.201 175 Y CB -0.159 38.293 38.460 -0.014 0.000 0.999 175 Y HN 0.131 nan 8.280 nan 0.000 0.541 176 L N -0.572 120.722 121.223 0.117 0.000 2.027 176 L HA -0.164 5.320 4.340 1.907 0.000 0.206 176 L C 2.165 179.031 176.870 -0.005 0.000 1.074 176 L CA 1.374 56.246 54.840 0.052 0.000 0.745 176 L CB -1.004 41.099 42.059 0.074 0.000 0.898 176 L HN 0.207 nan 8.230 nan 0.000 0.433 177 L N -0.144 121.071 121.223 -0.013 0.000 2.012 177 L HA -0.240 5.244 4.340 1.907 0.000 0.210 177 L C 2.446 179.279 176.870 -0.062 0.000 1.073 177 L CA 1.927 56.746 54.840 -0.034 0.000 0.748 177 L CB -0.833 41.204 42.059 -0.037 0.000 0.891 177 L HN 0.418 nan 8.230 nan 0.000 0.431 178 E N -1.398 118.738 120.200 -0.107 0.000 2.072 178 E HA -0.188 5.306 4.350 1.907 0.000 0.191 178 E C 1.866 178.354 176.600 -0.187 0.000 0.985 178 E CA 1.728 58.047 56.400 -0.134 0.000 0.801 178 E CB -0.134 29.441 29.700 -0.207 0.000 0.750 178 E HN 0.708 nan 8.360 nan 0.000 0.452 179 T N -2.284 112.088 114.554 -0.303 0.000 3.081 179 T HA 0.034 5.528 4.350 1.907 0.000 0.255 179 T C 1.751 176.328 174.700 -0.206 0.000 1.113 179 T CA 0.874 62.605 62.100 -0.615 0.000 1.082 179 T CB 0.290 68.711 68.868 -0.744 0.000 0.939 179 T HN 0.116 nan 8.240 nan 0.000 0.506 180 S N -0.778 114.875 115.700 -0.078 0.000 2.651 180 S HA 0.511 6.126 4.470 1.907 0.000 0.259 180 S C 1.788 176.394 174.600 0.009 0.000 1.073 180 S CA 0.563 58.761 58.200 -0.004 0.000 1.090 180 S CB 0.023 63.224 63.200 0.002 0.000 1.042 180 S HN 1.208 nan 8.310 nan 0.000 0.581 181 G N 1.913 110.710 108.800 -0.004 0.000 2.176 181 G HA2 -0.241 4.863 3.960 1.907 0.000 0.253 181 G HA3 -0.241 4.863 3.960 1.907 0.000 0.253 181 G C -0.192 174.708 174.900 -0.001 0.000 0.979 181 G CA 0.446 45.547 45.100 0.002 0.000 0.641 181 G HN 1.193 nan 8.290 nan 0.000 0.530 182 N N -2.545 116.154 118.700 -0.001 0.000 3.277 182 N HA 0.655 6.539 4.740 1.907 0.000 0.278 182 N C -0.132 175.381 175.510 0.005 0.000 1.544 182 N CA -1.077 51.974 53.050 0.001 0.000 0.869 182 N CB 0.229 38.718 38.487 0.004 0.000 1.584 182 N HN 0.012 nan 8.380 nan 0.000 0.564 183 L N -0.008 121.219 121.223 0.007 0.000 2.959 183 L HA 0.422 5.906 4.340 1.907 0.000 0.259 183 L C -0.813 176.072 176.870 0.026 0.000 1.185 183 L CA -0.253 54.594 54.840 0.013 0.000 0.998 183 L CB -1.108 40.949 42.059 -0.004 0.000 1.337 183 L HN 0.593 nan 8.230 nan 0.000 0.555 184 D N 0.731 121.147 120.400 0.027 0.000 2.493 184 D HA 0.353 6.137 4.640 1.907 0.000 0.240 184 D C 1.488 177.828 176.300 0.066 0.000 1.142 184 D CA 1.343 55.365 54.000 0.038 0.000 0.872 184 D CB 0.774 41.589 40.800 0.026 0.000 1.173 184 D HN 0.337 nan 8.370 nan 0.000 0.467 185 G N 1.625 110.488 108.800 0.105 0.000 2.179 185 G HA2 -0.353 4.751 3.960 1.907 0.000 0.260 185 G HA3 -0.353 4.751 3.960 1.907 0.000 0.260 185 G C 1.056 176.078 174.900 0.204 0.000 0.977 185 G CA 0.473 45.681 45.100 0.180 0.000 0.641 185 G HN 0.514 nan 8.290 nan 0.000 0.533 186 L N 1.237 122.536 121.223 0.127 0.000 2.043 186 L HA 0.008 5.492 4.340 1.907 0.000 0.212 186 L C 2.267 179.227 176.870 0.149 0.000 1.075 186 L CA 3.010 57.924 54.840 0.123 0.000 0.752 186 L CB -0.420 41.659 42.059 0.034 0.000 0.891 186 L HN 0.530 nan 8.230 nan 0.000 0.432 187 E N -1.955 118.255 120.200 0.016 0.000 2.512 187 E HA -0.134 5.360 4.350 1.907 0.000 0.195 187 E C 0.579 177.100 176.600 -0.132 0.000 1.083 187 E CA 0.461 56.778 56.400 -0.139 0.000 0.873 187 E CB -0.102 29.400 29.700 -0.330 0.000 0.897 187 E HN 0.645 nan 8.360 nan 0.000 0.514 188 Y N -0.297 120.159 120.300 0.260 0.000 2.557 188 Y HA 0.178 5.871 4.550 1.905 0.000 0.247 188 Y C 1.711 177.729 175.900 0.196 0.000 1.164 188 Y CA -0.321 57.911 58.100 0.221 0.000 1.218 188 Y CB 0.751 39.292 38.460 0.134 0.000 1.210 188 Y HN -0.171 nan 8.280 nan 0.000 0.529 189 K N 0.206 120.802 120.400 0.326 0.000 2.400 189 K HA 0.142 5.606 4.320 1.907 0.000 0.194 189 K C -0.282 176.374 176.600 0.094 0.000 1.033 189 K CA 0.409 56.833 56.287 0.228 0.000 1.021 189 K CB 0.461 33.135 32.500 0.290 0.000 0.808 189 K HN 0.124 nan 8.250 nan 0.000 0.505 190 L N 0.886 121.978 121.223 -0.217 0.000 2.427 190 L HA 0.280 5.764 4.340 1.907 0.000 0.264 190 L C -1.385 175.320 176.870 -0.273 0.000 0.989 190 L CA -0.692 53.882 54.840 -0.444 0.000 0.865 190 L CB 1.047 42.510 42.059 -0.994 0.000 1.209 190 L HN 0.007 nan 8.230 nan 0.000 0.430 191 H N 2.527 121.463 119.070 -0.223 0.000 2.527 191 H HA 0.315 6.013 4.556 1.904 0.000 0.321 191 H C -0.650 174.545 175.328 -0.222 0.000 1.087 191 H CA -0.188 55.804 56.048 -0.093 0.000 1.337 191 H CB 1.045 30.784 29.762 -0.039 0.000 1.440 191 H HN 0.597 nan 8.280 nan 0.000 0.490 192 D N 4.675 124.987 120.400 -0.146 0.000 2.346 192 D HA -0.048 5.736 4.640 1.907 0.000 0.260 192 D C -0.188 176.330 176.300 0.364 0.000 1.252 192 D CA 0.390 54.332 54.000 -0.096 0.000 0.895 192 D CB -0.026 40.714 40.800 -0.099 0.000 1.097 192 D HN 0.619 nan 8.370 nan 0.000 0.489 193 F N 1.408 121.379 119.950 0.035 0.000 2.654 193 F HA 0.214 5.892 4.527 1.917 0.000 0.303 193 F C 2.077 177.919 175.800 0.069 0.000 1.099 193 F CA -0.677 57.373 58.000 0.083 0.000 1.270 193 F CB 1.150 40.188 39.000 0.063 0.000 1.024 193 F HN 0.479 nan 8.300 nan 0.000 0.548 194 G N -0.743 108.187 108.800 0.216 0.000 2.985 194 G HA2 -0.205 4.899 3.960 1.907 0.000 0.209 194 G HA3 -0.205 4.899 3.960 1.907 0.000 0.209 194 G C 1.147 176.163 174.900 0.193 0.000 1.165 194 G CA 0.034 45.228 45.100 0.156 0.000 0.776 194 G HN 0.270 nan 8.290 nan 0.000 0.541 195 Y N 2.688 123.026 120.300 0.063 0.000 2.114 195 Y HA -0.252 5.442 4.550 1.907 0.000 0.282 195 Y C 2.833 178.751 175.900 0.031 0.000 1.165 195 Y CA 1.819 59.943 58.100 0.040 0.000 1.148 195 Y CB -0.190 38.288 38.460 0.030 0.000 0.972 195 Y HN 0.418 nan 8.280 nan 0.000 0.504 196 R N -1.031 119.577 120.500 0.181 0.000 2.189 196 R HA 0.050 5.534 4.340 1.907 0.000 0.218 196 R C 2.010 178.358 176.300 0.080 0.000 1.074 196 R CA 1.325 57.464 56.100 0.065 0.000 0.991 196 R CB -0.901 29.408 30.300 0.015 0.000 0.883 196 R HN 0.322 nan 8.270 nan 0.000 0.457 197 G N 1.799 110.662 108.800 0.105 0.000 3.088 197 G HA2 0.179 5.283 3.960 1.907 0.000 0.217 197 G HA3 0.179 5.283 3.960 1.907 0.000 0.217 197 G C 0.576 175.525 174.900 0.083 0.000 1.159 197 G CA 0.228 45.379 45.100 0.085 0.000 0.760 197 G HN 0.209 nan 8.290 nan 0.000 0.550 198 V N -1.518 118.454 119.914 0.097 0.000 3.262 198 V HA 0.610 5.874 4.120 1.907 0.000 0.313 198 V C 1.354 177.478 176.094 0.050 0.000 1.070 198 V CA 0.314 62.657 62.300 0.071 0.000 1.049 198 V CB 1.334 33.202 31.823 0.074 0.000 1.157 198 V HN 0.121 nan 8.190 nan 0.000 0.454 199 S N -0.321 115.387 115.700 0.013 0.000 2.528 199 S HA 0.260 5.874 4.470 1.907 0.000 0.219 199 S C 0.723 175.329 174.600 0.011 0.000 0.985 199 S CA 0.338 58.541 58.200 0.005 0.000 0.914 199 S CB -0.648 62.540 63.200 -0.019 0.000 0.776 199 S HN 1.773 nan 8.310 nan 0.000 0.526 200 S N -0.880 114.833 115.700 0.022 0.000 2.611 200 S HA 0.390 6.004 4.470 1.907 0.000 0.268 200 S C 0.042 174.694 174.600 0.087 0.000 1.156 200 S CA -0.866 57.360 58.200 0.043 0.000 0.817 200 S CB 0.898 64.112 63.200 0.023 0.000 1.122 200 S HN -0.094 nan 8.310 nan 0.000 0.466 201 Q N 1.127 120.993 119.800 0.109 0.000 2.061 201 Q HA -0.172 5.312 4.340 1.907 0.000 0.204 201 Q C 1.817 177.869 176.000 0.087 0.000 0.984 201 Q CA 2.284 58.179 55.803 0.153 0.000 0.846 201 Q CB -0.557 28.263 28.738 0.137 0.000 0.902 201 Q HN 0.931 nan 8.270 nan 0.000 0.421 202 E N -0.145 120.094 120.200 0.064 0.000 2.077 202 E HA -0.143 5.351 4.350 1.907 0.000 0.193 202 E C 1.768 178.366 176.600 -0.004 0.000 0.989 202 E CA 1.464 57.894 56.400 0.051 0.000 0.800 202 E CB 0.186 29.941 29.700 0.092 0.000 0.746 202 E HN 0.260 nan 8.360 nan 0.000 0.452 203 T N 0.599 115.137 114.554 -0.027 0.000 2.746 203 T HA -0.157 5.337 4.350 1.907 0.000 0.267 203 T C 1.784 176.486 174.700 0.003 0.000 1.039 203 T CA 1.219 63.273 62.100 -0.077 0.000 1.142 203 T CB -0.312 68.443 68.868 -0.188 0.000 0.866 203 T HN 0.353 nan 8.240 nan 0.000 0.444 204 A N 1.396 124.209 122.820 -0.011 0.000 1.873 204 A HA 0.005 5.469 4.320 1.907 0.000 0.218 204 A C 2.616 180.097 177.584 -0.171 0.000 1.193 204 A CA 2.116 54.096 52.037 -0.096 0.000 0.629 204 A CB -1.449 17.449 19.000 -0.170 0.000 0.826 204 A HN 0.520 nan 8.150 nan 0.000 0.447 205 G N -0.180 108.528 108.800 -0.154 0.000 2.421 205 G HA2 -0.179 4.925 3.960 1.907 0.000 0.216 205 G HA3 -0.179 4.925 3.960 1.907 0.000 0.216 205 G C 1.546 176.350 174.900 -0.159 0.000 1.171 205 G CA 1.147 46.151 45.100 -0.160 0.000 0.775 205 G HN 0.485 nan 8.290 nan 0.000 0.543 206 I N 1.277 121.746 120.570 -0.169 0.000 2.127 206 I HA -0.108 5.206 4.170 1.907 0.000 0.241 206 I C 3.097 179.171 176.117 -0.072 0.000 1.075 206 I CA 1.259 62.440 61.300 -0.198 0.000 1.334 206 I CB -0.526 37.360 38.000 -0.190 0.000 1.040 206 I HN 0.243 nan 8.210 nan 0.000 0.405 207 G N 0.189 109.020 108.800 0.053 0.000 2.402 207 G HA2 -0.192 4.912 3.960 1.907 0.000 0.216 207 G HA3 -0.192 4.912 3.960 1.907 0.000 0.216 207 G C 1.858 176.725 174.900 -0.055 0.000 1.162 207 G CA 0.774 45.848 45.100 -0.044 0.000 0.777 207 G HN 0.494 nan 8.290 nan 0.000 0.539 208 A N 1.373 124.158 122.820 -0.058 0.000 1.902 208 A HA -0.044 5.420 4.320 1.907 0.000 0.217 208 A C 2.754 180.310 177.584 -0.048 0.000 1.181 208 A CA 2.602 54.603 52.037 -0.059 0.000 0.623 208 A CB -0.777 18.142 19.000 -0.135 0.000 0.818 208 A HN 0.751 nan 8.150 nan 0.000 0.443 209 S N 0.198 115.851 115.700 -0.079 0.000 2.382 209 S HA 0.025 5.639 4.470 1.907 0.000 0.228 209 S C 2.079 176.653 174.600 -0.043 0.000 1.027 209 S CA 1.355 59.500 58.200 -0.092 0.000 0.991 209 S CB -0.662 62.509 63.200 -0.048 0.000 0.823 209 S HN 0.896 nan 8.310 nan 0.000 0.469 210 A N 1.685 124.503 122.820 -0.003 0.000 1.898 210 A HA -0.092 5.372 4.320 1.907 0.000 0.216 210 A C 2.108 179.628 177.584 -0.106 0.000 1.181 210 A CA 1.823 53.792 52.037 -0.113 0.000 0.620 210 A CB -1.364 17.614 19.000 -0.037 0.000 0.819 210 A HN 0.762 nan 8.150 nan 0.000 0.442 211 H N 0.047 119.055 119.070 -0.104 0.000 2.387 211 H HA 0.021 5.718 4.556 1.901 0.000 0.299 211 H C 1.527 176.865 175.328 0.017 0.000 1.090 211 H CA 1.755 57.783 56.048 -0.032 0.000 1.332 211 H CB -0.327 29.409 29.762 -0.044 0.000 1.386 211 H HN 0.364 nan 8.280 nan 0.000 0.516 212 L N -0.296 120.881 121.223 -0.076 0.000 2.456 212 L HA -0.088 5.396 4.340 1.907 0.000 0.224 212 L C 2.188 179.049 176.870 -0.014 0.000 1.148 212 L CA 0.199 55.005 54.840 -0.057 0.000 0.825 212 L CB -0.136 41.923 42.059 -0.000 0.000 0.937 212 L HN 0.203 nan 8.230 nan 0.000 0.450 213 V N 0.283 120.089 119.914 -0.179 0.000 2.469 213 V HA -0.258 5.006 4.120 1.907 0.000 0.251 213 V C 1.846 177.701 176.094 -0.399 0.000 1.064 213 V CA 1.786 63.786 62.300 -0.500 0.000 1.066 213 V CB -0.445 31.002 31.823 -0.626 0.000 0.667 213 V HN 0.616 nan 8.190 nan 0.000 0.461 214 N N -2.241 116.253 118.700 -0.344 0.000 2.397 214 N HA 0.202 6.086 4.740 1.907 0.000 0.190 214 N C 0.161 175.215 175.510 -0.760 0.000 1.099 214 N CA 0.330 53.087 53.050 -0.488 0.000 0.876 214 N CB 0.809 39.067 38.487 -0.382 0.000 1.143 214 N HN 0.407 nan 8.380 nan 0.000 0.468 215 F N 0.193 119.874 119.950 -0.448 0.000 2.691 215 F HA 0.431 6.089 4.527 1.885 0.000 0.334 215 F C 1.193 176.753 175.800 -0.400 0.000 1.107 215 F CA -0.767 56.962 58.000 -0.451 0.000 0.991 215 F CB 1.895 40.561 39.000 -0.556 0.000 1.400 215 F HN -0.429 nan 8.300 nan 0.000 0.503 216 K N -0.288 119.981 120.400 -0.217 0.000 2.402 216 K HA 0.274 5.739 4.320 1.907 0.000 0.203 216 K C 0.212 176.804 176.600 -0.014 0.000 1.077 216 K CA -0.097 56.073 56.287 -0.194 0.000 1.051 216 K CB 1.228 33.513 32.500 -0.357 0.000 0.907 216 K HN 0.670 nan 8.250 nan 0.000 0.554 217 G N 0.609 109.393 108.800 -0.027 0.000 2.335 217 G HA2 0.357 5.461 3.960 1.907 0.000 0.314 217 G HA3 0.357 5.461 3.960 1.907 0.000 0.314 217 G C -0.975 173.631 174.900 -0.490 0.000 1.129 217 G CA -0.027 45.060 45.100 -0.022 0.000 0.912 217 G HN -0.087 nan 8.290 nan 0.000 0.443 218 T N 0.885 115.142 114.554 -0.495 0.000 2.956 218 T HA 0.368 5.862 4.350 1.907 0.000 0.312 218 T C -0.569 174.126 174.700 -0.007 0.000 1.151 218 T CA -0.508 61.395 62.100 -0.328 0.000 1.024 218 T CB 1.896 70.712 68.868 -0.088 0.000 1.140 218 T HN 0.277 nan 8.240 nan 0.000 0.473 219 D N 1.447 121.961 120.400 0.191 0.000 2.369 219 D HA 0.206 5.990 4.640 1.907 0.000 0.211 219 D C 0.300 176.700 176.300 0.167 0.000 1.077 219 D CA 0.319 54.465 54.000 0.243 0.000 0.842 219 D CB 0.594 41.548 40.800 0.258 0.000 0.947 219 D HN 0.457 nan 8.370 nan 0.000 0.509 220 T N 0.856 115.448 114.554 0.064 0.000 3.162 220 T HA 0.101 5.595 4.350 1.907 0.000 0.316 220 T C 1.678 176.259 174.700 -0.198 0.000 1.182 220 T CA -0.189 61.837 62.100 -0.124 0.000 1.015 220 T CB 1.008 69.748 68.868 -0.213 0.000 1.089 220 T HN -0.175 nan 8.240 nan 0.000 0.646 221 V N 2.283 122.160 119.914 -0.061 0.000 2.469 221 V HA -0.252 5.012 4.120 1.907 0.000 0.251 221 V C 2.760 178.794 176.094 -0.099 0.000 1.064 221 V CA 2.164 64.454 62.300 -0.016 0.000 1.066 221 V CB -0.974 30.920 31.823 0.118 0.000 0.667 221 V HN 0.911 nan 8.190 nan 0.000 0.461 222 A N 0.666 123.347 122.820 -0.233 0.000 1.986 222 A HA -0.171 5.293 4.320 1.907 0.000 0.220 222 A C 2.426 179.909 177.584 -0.168 0.000 1.171 222 A CA 1.961 53.879 52.037 -0.200 0.000 0.640 222 A CB -1.168 17.623 19.000 -0.349 0.000 0.811 222 A HN 0.560 nan 8.150 nan 0.000 0.451 223 G N -0.446 108.231 108.800 -0.205 0.000 2.450 223 G HA2 -0.126 4.979 3.960 1.907 0.000 0.220 223 G HA3 -0.126 4.979 3.960 1.907 0.000 0.220 223 G C 1.308 176.108 174.900 -0.166 0.000 1.130 223 G CA 1.186 46.182 45.100 -0.173 0.000 0.760 223 G HN 0.369 nan 8.290 nan 0.000 0.557 224 L N 1.223 122.357 121.223 -0.148 0.000 2.017 224 L HA 0.103 5.587 4.340 1.907 0.000 0.208 224 L C 3.225 180.029 176.870 -0.111 0.000 1.073 224 L CA 1.711 56.461 54.840 -0.150 0.000 0.745 224 L CB -1.141 40.844 42.059 -0.123 0.000 0.894 224 L HN 0.287 nan 8.230 nan 0.000 0.432 225 A N -1.110 121.670 122.820 -0.066 0.000 1.929 225 A HA -0.145 5.319 4.320 1.907 0.000 0.216 225 A C 2.365 179.950 177.584 0.000 0.000 1.176 225 A CA 1.367 53.382 52.037 -0.036 0.000 0.628 225 A CB -0.740 18.252 19.000 -0.014 0.000 0.816 225 A HN 0.378 nan 8.150 nan 0.000 0.444 226 L N -0.357 120.888 121.223 0.037 0.000 1.989 226 L HA -0.193 5.291 4.340 1.907 0.000 0.211 226 L C 2.402 179.400 176.870 0.212 0.000 1.071 226 L CA 1.811 56.763 54.840 0.187 0.000 0.749 226 L CB -0.267 41.834 42.059 0.070 0.000 0.890 226 L HN 0.431 nan 8.230 nan 0.000 0.431 227 I N -0.129 120.450 120.570 0.015 0.000 2.179 227 I HA -0.363 4.951 4.170 1.907 0.000 0.242 227 I C 2.634 178.758 176.117 0.013 0.000 1.088 227 I CA 1.723 62.990 61.300 -0.056 0.000 1.357 227 I CB -0.350 37.328 38.000 -0.537 0.000 1.051 227 I HN 0.301 nan 8.210 nan 0.000 0.409 228 K N 1.458 121.827 120.400 -0.052 0.000 2.032 228 K HA -0.288 5.176 4.320 1.907 0.000 0.209 228 K C 2.214 178.772 176.600 -0.069 0.000 1.048 228 K CA 2.014 58.272 56.287 -0.048 0.000 0.927 228 K CB -0.092 32.369 32.500 -0.064 0.000 0.712 228 K HN 0.150 nan 8.250 nan 0.000 0.441 229 K N -0.992 119.331 120.400 -0.128 0.000 2.116 229 K HA -0.110 5.354 4.320 1.907 0.000 0.203 229 K C 1.309 177.616 176.600 -0.488 0.000 1.052 229 K CA 1.207 57.284 56.287 -0.350 0.000 0.952 229 K CB 0.045 32.233 32.500 -0.520 0.000 0.729 229 K HN 0.233 nan 8.250 nan 0.000 0.446 230 Y N -1.945 118.340 120.300 -0.026 0.000 2.462 230 Y HA 0.134 5.828 4.550 1.906 0.000 0.253 230 Y C 0.856 176.559 175.900 -0.328 0.000 1.095 230 Y CA 0.077 58.067 58.100 -0.185 0.000 1.283 230 Y CB 0.613 38.960 38.460 -0.187 0.000 1.138 230 Y HN 0.013 nan 8.280 nan 0.000 0.522 231 Y N -1.074 119.337 120.300 0.184 0.000 2.921 231 Y HA 0.510 6.206 4.550 1.910 0.000 0.246 231 Y C 1.134 177.127 175.900 0.155 0.000 1.030 231 Y CA 0.185 58.416 58.100 0.218 0.000 1.338 231 Y CB 0.545 39.219 38.460 0.357 0.000 1.493 231 Y HN -0.161 nan 8.280 nan 0.000 0.452 232 G N 1.131 110.089 108.800 0.264 0.000 2.895 232 G HA2 0.122 5.226 3.960 1.907 0.000 0.686 232 G HA3 0.122 5.226 3.960 1.907 0.000 0.686 232 G C -0.551 174.459 174.900 0.184 0.000 1.108 232 G CA -0.389 44.803 45.100 0.153 0.000 0.761 232 G HN 0.469 nan 8.290 nan 0.000 0.611 233 T N -0.596 114.025 114.554 0.112 0.000 2.893 233 T HA 0.686 6.180 4.350 1.907 0.000 0.291 233 T C 1.158 175.906 174.700 0.079 0.000 1.028 233 T CA -0.091 62.081 62.100 0.119 0.000 0.995 233 T CB 2.422 71.353 68.868 0.105 0.000 1.051 233 T HN 0.738 nan 8.240 nan 0.000 0.470 234 K N 0.442 120.890 120.400 0.080 0.000 2.057 234 K HA -0.072 5.392 4.320 1.907 0.000 0.207 234 K C 0.075 176.712 176.600 0.061 0.000 1.049 234 K CA 1.033 57.358 56.287 0.062 0.000 0.931 234 K CB -0.106 32.430 32.500 0.059 0.000 0.714 234 K HN 0.653 nan 8.250 nan 0.000 0.440 235 D N 0.450 120.894 120.400 0.075 0.000 2.399 235 D HA -0.001 5.783 4.640 1.907 0.000 0.241 235 D C -1.675 174.659 176.300 0.057 0.000 1.133 235 D CA -1.419 52.632 54.000 0.085 0.000 0.890 235 D CB 0.979 41.855 40.800 0.127 0.000 1.201 235 D HN -0.001 nan 8.370 nan 0.000 0.432 236 P HA -0.143 nan 4.420 nan 0.000 0.216 236 P C 0.163 177.452 177.300 -0.018 0.000 1.153 236 P CA 1.203 64.320 63.100 0.028 0.000 0.858 236 P CB 0.255 31.984 31.700 0.048 0.000 0.789 237 V N -6.520 113.361 119.914 -0.055 0.000 2.925 237 V HA 0.481 5.745 4.120 1.907 0.000 0.311 237 V C -2.176 173.762 176.094 -0.260 0.000 1.104 237 V CA -2.027 60.162 62.300 -0.185 0.000 0.954 237 V CB 1.853 33.516 31.823 -0.267 0.000 1.022 237 V HN -0.212 nan 8.190 nan 0.000 0.427 238 P HA 0.257 nan 4.420 nan 0.000 0.231 238 P C 0.594 177.734 177.300 -0.267 0.000 1.168 238 P CA 1.040 64.019 63.100 -0.201 0.000 0.779 238 P CB 0.513 32.041 31.700 -0.287 0.000 0.844 239 G N -1.241 107.277 108.800 -0.471 0.000 2.690 239 G HA2 0.598 5.702 3.960 1.907 0.000 0.293 239 G HA3 0.598 5.702 3.960 1.907 0.000 0.293 239 G C -2.109 172.457 174.900 -0.558 0.000 1.399 239 G CA -0.438 44.433 45.100 -0.382 0.000 0.890 239 G HN -0.106 nan 8.290 nan 0.000 0.485 240 Y N -0.467 119.899 120.300 0.110 0.000 2.553 240 Y HA 0.795 6.488 4.550 1.905 0.000 0.347 240 Y C 0.463 176.484 175.900 0.201 0.000 1.019 240 Y CA -0.792 57.401 58.100 0.155 0.000 1.032 240 Y CB 2.765 41.353 38.460 0.214 0.000 1.284 240 Y HN 0.691 nan 8.280 nan 0.000 0.466 241 S N 0.521 116.428 115.700 0.345 0.000 2.697 241 S HA 0.887 6.501 4.470 1.907 0.000 0.289 241 S C -1.542 173.155 174.600 0.161 0.000 1.149 241 S CA -0.548 57.836 58.200 0.308 0.000 0.850 241 S CB 1.349 64.695 63.200 0.243 0.000 1.151 241 S HN 0.817 nan 8.310 nan 0.000 0.491 242 V N 0.062 120.014 119.914 0.064 0.000 3.040 242 V HA 0.789 6.053 4.120 1.907 0.000 0.312 242 V C -2.953 173.040 176.094 -0.168 0.000 1.115 242 V CA -2.452 59.813 62.300 -0.058 0.000 0.998 242 V CB 0.536 32.307 31.823 -0.086 0.000 1.042 242 V HN 0.720 nan 8.190 nan 0.000 0.433 243 P HA 0.524 nan 4.420 nan 0.000 0.265 243 P C -0.505 176.536 177.300 -0.432 0.000 1.187 243 P CA 0.568 63.324 63.100 -0.573 0.000 0.766 243 P CB 0.595 31.502 31.700 -1.321 0.000 0.820 244 A N 1.693 124.300 122.820 -0.356 0.000 2.566 244 A HA 0.687 6.151 4.320 1.907 0.000 0.297 244 A C -0.871 176.603 177.584 -0.184 0.000 1.059 244 A CA -0.442 51.444 52.037 -0.252 0.000 0.691 244 A CB 1.223 20.079 19.000 -0.240 0.000 1.282 244 A HN 0.542 nan 8.150 nan 0.000 0.401 245 A N 1.041 123.780 122.820 -0.135 0.000 2.287 245 A HA 0.716 6.180 4.320 1.907 0.000 0.273 245 A C 0.263 177.768 177.584 -0.131 0.000 1.091 245 A CA 0.245 52.239 52.037 -0.071 0.000 0.817 245 A CB 0.228 19.223 19.000 -0.009 0.000 1.069 245 A HN 1.082 nan 8.150 nan 0.000 0.492 246 E N -0.564 119.579 120.200 -0.095 0.000 2.334 246 E HA 0.448 5.942 4.350 1.907 0.000 0.256 246 E C -0.126 176.384 176.600 -0.150 0.000 0.958 246 E CA -0.678 55.630 56.400 -0.152 0.000 0.821 246 E CB 0.444 30.101 29.700 -0.071 0.000 1.269 246 E HN 0.645 nan 8.360 nan 0.000 0.413 247 H N -0.051 119.020 119.070 0.002 0.000 2.387 247 H HA -0.147 5.553 4.556 1.906 0.000 0.299 247 H C 2.279 177.630 175.328 0.039 0.000 1.090 247 H CA 2.402 58.452 56.048 0.003 0.000 1.332 247 H CB 0.043 29.784 29.762 -0.034 0.000 1.386 247 H HN 0.607 nan 8.280 nan 0.000 0.516 248 S N 0.084 115.865 115.700 0.135 0.000 2.382 248 S HA -0.209 5.405 4.470 1.907 0.000 0.228 248 S C 2.251 176.938 174.600 0.145 0.000 1.027 248 S CA 1.593 59.862 58.200 0.114 0.000 0.991 248 S CB -0.814 62.431 63.200 0.074 0.000 0.823 248 S HN 0.629 nan 8.310 nan 0.000 0.469 249 T N -0.377 114.270 114.554 0.155 0.000 3.055 249 T HA 0.179 5.673 4.350 1.907 0.000 0.265 249 T C 1.701 176.631 174.700 0.383 0.000 1.111 249 T CA 0.568 62.816 62.100 0.248 0.000 1.118 249 T CB -0.374 68.627 68.868 0.221 0.000 0.909 249 T HN 0.335 nan 8.240 nan 0.000 0.501 250 I N 2.807 123.543 120.570 0.277 0.000 2.364 250 I HA 0.007 5.321 4.170 1.907 0.000 0.241 250 I C 3.015 179.339 176.117 0.345 0.000 1.082 250 I CA 1.718 63.184 61.300 0.276 0.000 1.401 250 I CB -1.825 36.290 38.000 0.192 0.000 1.126 250 I HN 0.466 nan 8.210 nan 0.000 0.429 251 T N 0.151 114.858 114.554 0.255 0.000 2.915 251 T HA -0.021 5.473 4.350 1.907 0.000 0.269 251 T C 2.039 176.900 174.700 0.268 0.000 1.071 251 T CA 1.063 63.326 62.100 0.271 0.000 1.132 251 T CB -0.547 68.424 68.868 0.173 0.000 0.878 251 T HN 0.242 nan 8.240 nan 0.000 0.479 252 A N 0.811 123.765 122.820 0.224 0.000 2.042 252 A HA -0.081 5.383 4.320 1.907 0.000 0.222 252 A C 1.949 179.562 177.584 0.048 0.000 1.167 252 A CA 1.484 53.579 52.037 0.097 0.000 0.649 252 A CB -1.384 17.620 19.000 0.007 0.000 0.809 252 A HN 0.780 nan 8.150 nan 0.000 0.457 253 W N -0.921 120.410 121.300 0.050 0.000 2.595 253 W HA 0.355 6.159 4.660 1.907 0.000 0.257 253 W C 1.338 177.899 176.519 0.070 0.000 1.267 253 W CA 1.335 58.696 57.345 0.027 0.000 1.300 253 W CB -0.392 29.093 29.460 0.043 0.000 1.120 253 W HN 0.717 nan 8.180 nan 0.000 0.618 254 G N 0.395 109.376 108.800 0.302 0.000 2.697 254 G HA2 -0.219 4.885 3.960 1.907 0.000 0.686 254 G HA3 -0.219 4.885 3.960 1.907 0.000 0.686 254 G C 0.732 175.738 174.900 0.177 0.000 1.179 254 G CA -0.318 44.924 45.100 0.236 0.000 0.765 254 G HN 0.180 nan 8.290 nan 0.000 0.649 255 K N -0.221 120.174 120.400 -0.009 0.000 2.152 255 K HA -0.106 5.358 4.320 1.907 0.000 0.206 255 K C 0.929 177.284 176.600 -0.408 0.000 1.048 255 K CA 1.897 57.938 56.287 -0.410 0.000 0.933 255 K CB 0.048 32.234 32.500 -0.524 0.000 0.721 255 K HN 0.370 nan 8.250 nan 0.000 0.447 256 D N 0.615 120.843 120.400 -0.286 0.000 2.349 256 D HA -0.025 5.759 4.640 1.907 0.000 0.224 256 D C 0.501 176.418 176.300 -0.638 0.000 1.029 256 D CA 0.581 54.302 54.000 -0.466 0.000 0.879 256 D CB 0.106 40.598 40.800 -0.513 0.000 0.906 256 D HN 0.441 nan 8.370 nan 0.000 0.528 257 H N -0.559 118.467 119.070 -0.073 0.000 2.649 257 H HA 0.136 5.836 4.556 1.907 0.000 0.258 257 H C 1.269 176.515 175.328 -0.136 0.000 1.165 257 H CA -0.158 55.865 56.048 -0.042 0.000 1.006 257 H CB 0.745 30.573 29.762 0.110 0.000 1.743 257 H HN 0.222 nan 8.280 nan 0.000 0.609 258 E N 2.147 122.253 120.200 -0.156 0.000 2.086 258 E HA -0.235 5.259 4.350 1.907 0.000 0.200 258 E C 2.146 178.252 176.600 -0.822 0.000 1.012 258 E CA 1.469 57.609 56.400 -0.433 0.000 0.812 258 E CB 0.283 29.738 29.700 -0.408 0.000 0.743 258 E HN 0.315 nan 8.360 nan 0.000 0.453 259 K N 0.224 120.262 120.400 -0.604 0.000 2.063 259 K HA -0.206 5.258 4.320 1.907 0.000 0.208 259 K C 1.673 178.068 176.600 -0.341 0.000 1.048 259 K CA 1.936 57.926 56.287 -0.494 0.000 0.928 259 K CB -0.032 32.298 32.500 -0.284 0.000 0.713 259 K HN 0.121 nan 8.250 nan 0.000 0.442 260 D N 0.521 120.764 120.400 -0.262 0.000 2.117 260 D HA -0.163 5.622 4.640 1.907 0.000 0.197 260 D C 1.847 177.690 176.300 -0.762 0.000 0.987 260 D CA 1.385 55.213 54.000 -0.287 0.000 0.829 260 D CB -0.278 40.506 40.800 -0.028 0.000 0.961 260 D HN 0.393 nan 8.370 nan 0.000 0.460 261 A N 1.090 123.282 122.820 -1.045 0.000 1.865 261 A HA -0.199 5.265 4.320 1.907 0.000 0.217 261 A C 2.073 179.422 177.584 -0.393 0.000 1.191 261 A CA 1.134 52.358 52.037 -1.355 0.000 0.623 261 A CB -0.942 17.531 19.000 -0.878 0.000 0.826 261 A HN 0.084 nan 8.150 nan 0.000 0.444 262 F N 0.038 119.749 119.950 -0.399 0.000 2.095 262 F HA -0.147 5.525 4.527 1.908 0.000 0.298 262 F C 2.392 178.135 175.800 -0.093 0.000 1.104 262 F CA 1.283 59.146 58.000 -0.227 0.000 1.232 262 F CB -1.204 37.417 39.000 -0.631 0.000 0.987 262 F HN 0.534 nan 8.300 nan 0.000 0.475 263 E N -0.668 119.553 120.200 0.035 0.000 2.031 263 E HA -0.292 5.202 4.350 1.907 0.000 0.193 263 E C 2.244 178.869 176.600 0.042 0.000 0.994 263 E CA 1.518 57.943 56.400 0.041 0.000 0.800 263 E CB -0.380 29.324 29.700 0.007 0.000 0.752 263 E HN 0.452 nan 8.360 nan 0.000 0.447 264 H N 0.320 119.319 119.070 -0.119 0.000 2.289 264 H HA -0.160 5.539 4.556 1.907 0.000 0.296 264 H C 1.978 177.332 175.328 0.045 0.000 1.091 264 H CA 2.561 58.588 56.048 -0.036 0.000 1.274 264 H CB -0.239 29.479 29.762 -0.073 0.000 1.364 264 H HN 0.233 nan 8.280 nan 0.000 0.490 265 I N -0.028 120.602 120.570 0.100 0.000 2.179 265 I HA -0.238 5.076 4.170 1.907 0.000 0.242 265 I C 2.538 178.745 176.117 0.151 0.000 1.088 265 I CA 1.374 62.773 61.300 0.166 0.000 1.357 265 I CB -0.299 37.857 38.000 0.261 0.000 1.051 265 I HN 0.339 nan 8.210 nan 0.000 0.409 266 V N -2.605 117.390 119.914 0.135 0.000 2.626 266 V HA -0.171 5.093 4.120 1.907 0.000 0.252 266 V C 2.167 178.282 176.094 0.034 0.000 1.067 266 V CA 2.069 64.432 62.300 0.105 0.000 1.081 266 V CB -1.371 30.518 31.823 0.111 0.000 0.686 266 V HN 0.360 nan 8.190 nan 0.000 0.468 267 T N -0.338 114.200 114.554 -0.027 0.000 2.896 267 T HA -0.089 5.405 4.350 1.907 0.000 0.263 267 T C 2.013 176.607 174.700 -0.177 0.000 1.050 267 T CA 1.452 63.503 62.100 -0.081 0.000 1.140 267 T CB -0.271 68.555 68.868 -0.070 0.000 0.877 267 T HN 0.455 nan 8.240 nan 0.000 0.457 268 Q N 0.322 119.927 119.800 -0.326 0.000 2.124 268 Q HA 0.017 5.501 4.340 1.907 0.000 0.202 268 Q C 0.389 175.973 176.000 -0.692 0.000 0.977 268 Q CA 1.129 56.583 55.803 -0.581 0.000 0.850 268 Q CB -0.221 28.014 28.738 -0.838 0.000 0.901 268 Q HN 0.577 nan 8.270 nan 0.000 0.429 269 F N 0.397 120.309 119.950 -0.064 0.000 2.664 269 F HA 0.162 5.834 4.527 1.909 0.000 0.322 269 F C 1.311 177.081 175.800 -0.049 0.000 1.324 269 F CA -0.395 57.577 58.000 -0.046 0.000 1.154 269 F CB 0.389 39.364 39.000 -0.042 0.000 1.236 269 F HN -0.072 nan 8.300 nan 0.000 0.532 270 S N -1.151 114.570 115.700 0.034 0.000 2.453 270 S HA -0.111 5.503 4.470 1.907 0.000 0.231 270 S C 1.436 176.047 174.600 0.017 0.000 1.005 270 S CA 0.950 59.158 58.200 0.013 0.000 0.949 270 S CB -0.239 62.951 63.200 -0.017 0.000 0.774 270 S HN 0.381 nan 8.310 nan 0.000 0.510 271 S N 0.210 115.929 115.700 0.032 0.000 2.846 271 S HA 0.533 6.147 4.470 1.907 0.000 0.249 271 S C 0.049 174.666 174.600 0.027 0.000 1.028 271 S CA -0.090 58.122 58.200 0.021 0.000 1.043 271 S CB 0.036 63.243 63.200 0.013 0.000 0.990 271 S HN 0.699 nan 8.310 nan 0.000 0.564 272 V N -3.068 116.875 119.914 0.048 0.000 3.102 272 V HA 0.782 6.046 4.120 1.907 0.000 0.312 272 V C -3.347 172.740 176.094 -0.011 0.000 1.135 272 V CA -3.112 59.201 62.300 0.021 0.000 1.022 272 V CB 0.918 32.770 31.823 0.049 0.000 1.056 272 V HN -0.081 nan 8.190 nan 0.000 0.436 273 P HA 0.319 nan 4.420 nan 0.000 0.267 273 P C -0.915 176.316 177.300 -0.115 0.000 1.200 273 P CA 0.192 63.237 63.100 -0.091 0.000 0.772 273 P CB 0.910 32.545 31.700 -0.109 0.000 0.855 274 V N 2.388 122.219 119.914 -0.139 0.000 2.623 274 V HA 0.451 5.716 4.120 1.907 0.000 0.304 274 V C -0.714 175.255 176.094 -0.210 0.000 1.054 274 V CA -0.506 61.687 62.300 -0.179 0.000 0.882 274 V CB 2.011 33.778 31.823 -0.094 0.000 1.002 274 V HN 0.539 nan 8.190 nan 0.000 0.424 275 S N 5.562 121.131 115.700 -0.219 0.000 2.457 275 S HA 0.737 6.351 4.470 1.907 0.000 0.289 275 S C -0.884 173.594 174.600 -0.203 0.000 1.163 275 S CA -0.424 57.646 58.200 -0.217 0.000 1.078 275 S CB 1.138 64.225 63.200 -0.190 0.000 0.987 275 S HN 0.826 nan 8.310 nan 0.000 0.482 276 V N 5.996 125.773 119.914 -0.228 0.000 2.380 276 V HA 0.351 5.615 4.120 1.907 0.000 0.286 276 V C 0.193 176.194 176.094 -0.155 0.000 1.015 276 V CA -0.944 61.251 62.300 -0.176 0.000 0.834 276 V CB 1.375 33.108 31.823 -0.150 0.000 1.009 276 V HN 0.769 nan 8.190 nan 0.000 0.428 277 V N 5.083 124.915 119.914 -0.137 0.000 2.509 277 V HA 0.066 5.331 4.120 1.907 0.000 0.297 277 V C 1.122 177.209 176.094 -0.012 0.000 1.014 277 V CA 1.294 63.512 62.300 -0.135 0.000 1.127 277 V CB 1.415 33.038 31.823 -0.333 0.000 0.925 277 V HN 1.027 nan 8.190 nan 0.000 0.480 278 S N 3.610 119.346 115.700 0.060 0.000 2.701 278 S HA 0.139 5.753 4.470 1.907 0.000 0.242 278 S C 0.809 175.521 174.600 0.187 0.000 1.025 278 S CA 0.140 58.478 58.200 0.230 0.000 1.016 278 S CB 0.079 63.453 63.200 0.290 0.000 0.977 278 S HN 1.013 nan 8.310 nan 0.000 0.546 279 D N 0.663 121.125 120.400 0.104 0.000 2.424 279 D HA 0.186 5.970 4.640 1.907 0.000 0.220 279 D C 0.856 177.164 176.300 0.012 0.000 1.150 279 D CA 0.022 54.047 54.000 0.042 0.000 0.831 279 D CB -0.098 40.714 40.800 0.020 0.000 0.981 279 D HN 0.024 nan 8.370 nan 0.000 0.500 280 S N -0.241 115.441 115.700 -0.030 0.000 2.387 280 S HA -0.152 5.462 4.470 1.907 0.000 0.230 280 S C 0.879 175.126 174.600 -0.589 0.000 1.035 280 S CA 1.307 59.305 58.200 -0.336 0.000 1.014 280 S CB -0.249 62.574 63.200 -0.628 0.000 0.836 280 S HN 0.546 nan 8.310 nan 0.000 0.466 281 Y N -0.721 119.602 120.300 0.039 0.000 2.784 281 Y HA 0.389 6.084 4.550 1.908 0.000 0.267 281 Y C 0.120 176.016 175.900 -0.006 0.000 1.117 281 Y CA -0.474 57.628 58.100 0.003 0.000 1.231 281 Y CB 0.846 39.294 38.460 -0.019 0.000 1.441 281 Y HN 0.053 nan 8.280 nan 0.000 0.469 282 D N 0.043 120.519 120.400 0.126 0.000 2.333 282 D HA 0.092 5.876 4.640 1.907 0.000 0.225 282 D C 0.068 176.362 176.300 -0.011 0.000 1.345 282 D CA -0.181 53.849 54.000 0.050 0.000 0.971 282 D CB 1.107 41.964 40.800 0.095 0.000 1.451 282 D HN 0.166 nan 8.370 nan 0.000 0.561 283 I N 3.923 124.383 120.570 -0.184 0.000 2.264 283 I HA -0.174 5.140 4.170 1.907 0.000 0.248 283 I C 1.190 177.207 176.117 -0.166 0.000 1.111 283 I CA 1.688 62.845 61.300 -0.239 0.000 1.382 283 I CB -0.267 37.462 38.000 -0.452 0.000 1.060 283 I HN 0.476 nan 8.210 nan 0.000 0.418 284 Y N -0.149 120.213 120.300 0.103 0.000 2.220 284 Y HA -0.191 5.502 4.550 1.904 0.000 0.291 284 Y C 2.526 178.487 175.900 0.102 0.000 1.129 284 Y CA 1.358 59.515 58.100 0.096 0.000 1.161 284 Y CB -0.794 37.710 38.460 0.073 0.000 0.997 284 Y HN 0.330 nan 8.280 nan 0.000 0.522 285 N N 0.786 119.611 118.700 0.207 0.000 2.084 285 N HA -0.203 5.681 4.740 1.907 0.000 0.190 285 N C 1.886 177.466 175.510 0.118 0.000 1.030 285 N CA 1.526 54.657 53.050 0.134 0.000 0.849 285 N CB -0.379 38.160 38.487 0.086 0.000 1.012 285 N HN 0.265 nan 8.380 nan 0.000 0.423 286 A N -0.154 122.739 122.820 0.122 0.000 1.908 286 A HA -0.161 5.304 4.320 1.907 0.000 0.218 286 A C 2.627 180.353 177.584 0.237 0.000 1.181 286 A CA 1.616 53.736 52.037 0.138 0.000 0.627 286 A CB -1.186 17.959 19.000 0.242 0.000 0.818 286 A HN 0.600 nan 8.150 nan 0.000 0.445 287 C N -1.450 118.040 119.300 0.316 0.000 2.476 287 C HA -0.002 5.602 4.460 1.907 0.000 0.278 287 C C 2.700 177.899 174.990 0.348 0.000 1.274 287 C CA 1.149 60.413 59.018 0.411 0.000 1.713 287 C CB -0.970 26.958 27.740 0.313 0.000 2.039 287 C HN 0.788 nan 8.230 nan 0.000 0.484 288 E N 0.821 121.170 120.200 0.249 0.000 2.076 288 E HA -0.182 5.312 4.350 1.907 0.000 0.190 288 E C 2.179 178.869 176.600 0.150 0.000 0.979 288 E CA 1.085 57.600 56.400 0.192 0.000 0.807 288 E CB -0.006 29.786 29.700 0.154 0.000 0.761 288 E HN 0.660 nan 8.360 nan 0.000 0.454 289 K N -0.261 120.214 120.400 0.124 0.000 2.287 289 K HA 0.083 5.547 4.320 1.907 0.000 0.199 289 K C 1.924 178.559 176.600 0.057 0.000 1.061 289 K CA 0.399 56.730 56.287 0.072 0.000 0.976 289 K CB 0.128 32.652 32.500 0.040 0.000 0.898 289 K HN 0.069 nan 8.250 nan 0.000 0.492 290 I N -0.367 120.224 120.570 0.035 0.000 2.270 290 I HA -0.089 5.226 4.170 1.907 0.000 0.239 290 I C 1.905 178.056 176.117 0.057 0.000 1.080 290 I CA 0.956 62.221 61.300 -0.058 0.000 1.383 290 I CB -0.335 37.515 38.000 -0.250 0.000 1.097 290 I HN 0.229 nan 8.210 nan 0.000 0.420 291 W N 0.899 122.340 121.300 0.234 0.000 2.418 291 W HA 0.002 5.807 4.660 1.909 0.000 0.292 291 W C 2.462 179.141 176.519 0.268 0.000 1.213 291 W CA 0.680 58.167 57.345 0.237 0.000 1.283 291 W CB -0.465 29.121 29.460 0.210 0.000 1.119 291 W HN 0.104 nan 8.180 nan 0.000 0.542 292 G N -0.385 108.668 108.800 0.421 0.000 2.712 292 G HA2 -0.006 5.098 3.960 1.907 0.000 0.212 292 G HA3 -0.006 5.098 3.960 1.907 0.000 0.212 292 G C 1.011 175.918 174.900 0.011 0.000 1.142 292 G CA 0.801 46.013 45.100 0.187 0.000 0.789 292 G HN 0.283 nan 8.290 nan 0.000 0.535 293 E N -0.576 119.674 120.200 0.083 0.000 3.844 293 E HA 0.034 5.528 4.350 1.907 0.000 0.201 293 E C 1.333 177.992 176.600 0.099 0.000 1.278 293 E CA -0.132 56.299 56.400 0.052 0.000 1.565 293 E CB 0.139 29.860 29.700 0.036 0.000 1.543 293 E HN -0.039 nan 8.360 nan 0.000 0.584 294 D N 1.281 121.736 120.400 0.091 0.000 2.133 294 D HA -0.131 5.653 4.640 1.907 0.000 0.195 294 D C 1.629 178.041 176.300 0.186 0.000 0.997 294 D CA 1.308 55.371 54.000 0.105 0.000 0.840 294 D CB 0.162 40.983 40.800 0.036 0.000 0.947 294 D HN 0.131 nan 8.370 nan 0.000 0.452 295 L N -0.261 121.048 121.223 0.144 0.000 2.808 295 L HA 0.270 5.754 4.340 1.907 0.000 0.246 295 L C 2.046 178.934 176.870 0.030 0.000 1.153 295 L CA -0.254 54.610 54.840 0.041 0.000 0.956 295 L CB 0.325 42.456 42.059 0.119 0.000 1.270 295 L HN -0.124 nan 8.230 nan 0.000 0.528 296 R N 0.942 121.542 120.500 0.168 0.000 2.119 296 R HA -0.241 5.243 4.340 1.907 0.000 0.246 296 R C 2.427 178.788 176.300 0.101 0.000 1.146 296 R CA 2.289 58.493 56.100 0.172 0.000 0.962 296 R CB -0.280 30.044 30.300 0.039 0.000 0.863 296 R HN 0.582 nan 8.270 nan 0.000 0.442 297 H N -0.514 118.597 119.070 0.069 0.000 2.456 297 H HA -0.097 5.604 4.556 1.907 0.000 0.296 297 H C 1.728 177.069 175.328 0.022 0.000 1.079 297 H CA 1.121 57.187 56.048 0.029 0.000 1.322 297 H CB -0.336 29.438 29.762 0.021 0.000 1.388 297 H HN 0.316 nan 8.280 nan 0.000 0.538 298 L N 0.144 121.137 121.223 -0.384 0.000 2.558 298 L HA 0.131 5.615 4.340 1.907 0.000 0.225 298 L C 2.084 178.889 176.870 -0.108 0.000 1.128 298 L CA 0.149 54.863 54.840 -0.211 0.000 0.868 298 L CB 0.084 42.004 42.059 -0.231 0.000 1.006 298 L HN 0.173 nan 8.230 nan 0.000 0.454 299 I N -0.720 119.798 120.570 -0.086 0.000 2.685 299 I HA -0.104 5.210 4.170 1.907 0.000 0.251 299 I C 2.331 178.185 176.117 -0.439 0.000 1.102 299 I CA 0.592 61.814 61.300 -0.130 0.000 1.442 299 I CB -0.052 37.972 38.000 0.040 0.000 1.194 299 I HN 0.037 nan 8.210 nan 0.000 0.448 300 V N -0.718 118.933 119.914 -0.437 0.000 3.026 300 V HA -0.146 5.118 4.120 1.907 0.000 0.265 300 V C 2.151 177.899 176.094 -0.576 0.000 1.121 300 V CA 1.924 63.716 62.300 -0.846 0.000 1.142 300 V CB -1.180 30.490 31.823 -0.255 0.000 0.730 300 V HN 0.514 nan 8.190 nan 0.000 0.503 301 S N -0.790 114.727 115.700 -0.305 0.000 2.558 301 S HA 0.212 5.826 4.470 1.907 0.000 0.217 301 S C 1.056 175.585 174.600 -0.117 0.000 0.975 301 S CA -0.384 57.728 58.200 -0.146 0.000 0.912 301 S CB -0.297 62.863 63.200 -0.066 0.000 0.776 301 S HN 0.675 nan 8.310 nan 0.000 0.526 302 R N 1.986 122.383 120.500 -0.171 0.000 2.582 302 R HA 0.363 5.847 4.340 1.907 0.000 0.271 302 R C 0.434 176.755 176.300 0.034 0.000 1.078 302 R CA -0.058 56.009 56.100 -0.054 0.000 1.127 302 R CB 0.636 30.911 30.300 -0.041 0.000 1.038 302 R HN 0.321 nan 8.270 nan 0.000 0.500 303 S N 0.232 115.950 115.700 0.030 0.000 2.593 303 S HA -0.014 5.600 4.470 1.907 0.000 0.269 303 S C 1.132 175.763 174.600 0.051 0.000 1.334 303 S CA -0.398 57.826 58.200 0.040 0.000 1.015 303 S CB 1.080 64.288 63.200 0.013 0.000 0.912 303 S HN 0.579 nan 8.310 nan 0.000 0.541 304 T N 3.220 117.797 114.554 0.038 0.000 2.881 304 T HA -0.070 5.424 4.350 1.907 0.000 0.270 304 T C 1.407 176.091 174.700 -0.027 0.000 1.068 304 T CA 1.383 63.485 62.100 0.003 0.000 1.131 304 T CB -0.227 68.638 68.868 -0.005 0.000 0.871 304 T HN 0.580 nan 8.240 nan 0.000 0.479 305 Q N 0.230 120.014 119.800 -0.026 0.000 2.425 305 Q HA 0.411 5.895 4.340 1.907 0.000 0.204 305 Q C 0.961 176.931 176.000 -0.050 0.000 0.933 305 Q CA 0.232 56.007 55.803 -0.047 0.000 0.939 305 Q CB 0.375 29.088 28.738 -0.041 0.000 1.044 305 Q HN 0.451 nan 8.270 nan 0.000 0.513 306 A N 0.817 123.616 122.820 -0.034 0.000 3.234 306 A HA 0.353 5.817 4.320 1.907 0.000 0.247 306 A C -2.606 174.954 177.584 -0.039 0.000 0.938 306 A CA -1.113 50.903 52.037 -0.035 0.000 1.039 306 A CB 0.293 19.284 19.000 -0.014 0.000 1.197 306 A HN -0.021 nan 8.150 nan 0.000 0.498 307 P HA 0.234 nan 4.420 nan 0.000 0.272 307 P C -0.153 177.064 177.300 -0.138 0.000 1.240 307 P CA -0.209 62.846 63.100 -0.075 0.000 0.791 307 P CB 1.030 32.665 31.700 -0.109 0.000 0.978 308 L N 2.398 123.505 121.223 -0.192 0.000 2.319 308 L HA 0.278 5.762 4.340 1.907 0.000 0.280 308 L C -0.226 176.424 176.870 -0.367 0.000 1.099 308 L CA 0.006 54.644 54.840 -0.336 0.000 0.828 308 L CB -0.518 41.234 42.059 -0.511 0.000 1.150 308 L HN 0.172 nan 8.230 nan 0.000 0.442 309 I N 6.990 127.349 120.570 -0.351 0.000 2.337 309 I HA 0.290 5.604 4.170 1.907 0.000 0.285 309 I C -0.131 175.762 176.117 -0.373 0.000 1.041 309 I CA -0.354 60.754 61.300 -0.321 0.000 1.199 309 I CB 0.618 38.478 38.000 -0.234 0.000 1.370 309 I HN 0.518 nan 8.210 nan 0.000 0.470 310 I N 6.067 126.386 120.570 -0.419 0.000 2.496 310 I HA 0.187 5.501 4.170 1.907 0.000 0.285 310 I C 0.675 176.657 176.117 -0.225 0.000 1.080 310 I CA 0.029 61.102 61.300 -0.378 0.000 1.404 310 I CB 0.510 38.285 38.000 -0.375 0.000 1.403 310 I HN 0.559 nan 8.210 nan 0.000 0.539 311 R N 8.680 129.087 120.500 -0.156 0.000 2.310 311 R HA 0.398 5.882 4.340 1.907 0.000 0.316 311 R C -2.556 173.714 176.300 -0.050 0.000 1.004 311 R CA -1.705 54.335 56.100 -0.099 0.000 0.900 311 R CB 1.126 31.375 30.300 -0.085 0.000 1.152 311 R HN 0.289 nan 8.270 nan 0.000 0.513 312 P HA 0.088 nan 4.420 nan 0.000 0.272 312 P C -0.687 176.623 177.300 0.016 0.000 1.230 312 P CA 0.123 63.208 63.100 -0.024 0.000 0.788 312 P CB 0.937 32.614 31.700 -0.038 0.000 0.949 313 D N -1.299 119.125 120.400 0.041 0.000 2.704 313 D HA 0.139 5.923 4.640 1.907 0.000 0.291 313 D C -0.802 175.539 176.300 0.068 0.000 1.610 313 D CA -0.027 54.026 54.000 0.088 0.000 0.807 313 D CB 0.130 41.032 40.800 0.170 0.000 1.233 313 D HN 0.390 nan 8.370 nan 0.000 0.445 314 S N -1.822 113.898 115.700 0.033 0.000 2.615 314 S HA 0.761 6.375 4.470 1.907 0.000 0.268 314 S C 0.227 174.841 174.600 0.023 0.000 1.146 314 S CA -0.350 57.863 58.200 0.021 0.000 0.818 314 S CB 1.351 64.550 63.200 -0.001 0.000 1.111 314 S HN 0.750 nan 8.310 nan 0.000 0.465 315 G N 1.217 110.039 108.800 0.036 0.000 2.712 315 G HA2 -0.038 5.066 3.960 1.907 0.000 0.683 315 G HA3 -0.038 5.066 3.960 1.907 0.000 0.683 315 G C -0.569 174.368 174.900 0.061 0.000 1.320 315 G CA -0.314 44.824 45.100 0.062 0.000 0.847 315 G HN 1.387 nan 8.290 nan 0.000 0.553 316 N N 1.169 119.911 118.700 0.069 0.000 2.411 316 N HA 0.358 6.242 4.740 1.907 0.000 0.265 316 N C -0.572 174.975 175.510 0.062 0.000 1.266 316 N CA -0.419 52.667 53.050 0.060 0.000 0.889 316 N CB 0.966 39.489 38.487 0.058 0.000 1.069 316 N HN 0.204 nan 8.380 nan 0.000 0.476 317 P HA -0.170 nan 4.420 nan 0.000 0.215 317 P C 1.280 178.615 177.300 0.058 0.000 1.153 317 P CA 0.664 63.798 63.100 0.057 0.000 0.853 317 P CB 0.141 31.876 31.700 0.059 0.000 0.788 318 L N -0.173 121.081 121.223 0.053 0.000 2.027 318 L HA -0.114 5.370 4.340 1.907 0.000 0.206 318 L C 1.497 178.397 176.870 0.051 0.000 1.074 318 L CA 2.110 56.980 54.840 0.049 0.000 0.745 318 L CB -1.328 40.755 42.059 0.040 0.000 0.898 318 L HN -0.171 nan 8.230 nan 0.000 0.433 319 D N -0.995 119.440 120.400 0.058 0.000 2.144 319 D HA -0.133 5.651 4.640 1.907 0.000 0.200 319 D C 2.038 178.393 176.300 0.092 0.000 0.978 319 D CA 1.716 55.754 54.000 0.064 0.000 0.833 319 D CB -0.270 40.568 40.800 0.063 0.000 0.961 319 D HN 0.394 nan 8.370 nan 0.000 0.470 320 T N 0.587 115.212 114.554 0.117 0.000 2.732 320 T HA -0.068 5.426 4.350 1.907 0.000 0.261 320 T C 2.328 177.092 174.700 0.107 0.000 1.040 320 T CA 0.637 62.842 62.100 0.175 0.000 1.145 320 T CB -0.404 68.538 68.868 0.124 0.000 0.866 320 T HN -0.048 nan 8.240 nan 0.000 0.427 321 V N 1.822 121.754 119.914 0.031 0.000 2.282 321 V HA -0.171 5.093 4.120 1.907 0.000 0.249 321 V C 2.523 178.563 176.094 -0.089 0.000 1.057 321 V CA 1.647 63.918 62.300 -0.048 0.000 1.032 321 V CB -0.720 31.068 31.823 -0.059 0.000 0.645 321 V HN 0.436 nan 8.190 nan 0.000 0.447 322 L N -0.524 120.675 121.223 -0.040 0.000 2.093 322 L HA -0.186 5.298 4.340 1.907 0.000 0.208 322 L C 2.559 179.407 176.870 -0.036 0.000 1.085 322 L CA 1.879 56.687 54.840 -0.054 0.000 0.755 322 L CB -0.575 41.505 42.059 0.036 0.000 0.904 322 L HN 0.325 nan 8.230 nan 0.000 0.435 323 K N 0.111 120.521 120.400 0.016 0.000 2.062 323 K HA -0.121 5.343 4.320 1.907 0.000 0.205 323 K C 2.038 178.677 176.600 0.066 0.000 1.051 323 K CA 0.974 57.269 56.287 0.014 0.000 0.941 323 K CB 0.080 32.532 32.500 -0.080 0.000 0.719 323 K HN 0.008 nan 8.250 nan 0.000 0.440 324 V N 1.811 121.791 119.914 0.110 0.000 2.287 324 V HA -0.281 4.983 4.120 1.907 0.000 0.248 324 V C 2.297 178.346 176.094 -0.075 0.000 1.053 324 V CA 1.778 64.122 62.300 0.074 0.000 1.027 324 V CB -0.373 31.466 31.823 0.026 0.000 0.646 324 V HN 0.330 nan 8.190 nan 0.000 0.447 325 L N -0.240 120.817 121.223 -0.276 0.000 2.046 325 L HA -0.218 5.266 4.340 1.907 0.000 0.208 325 L C 2.603 179.298 176.870 -0.292 0.000 1.077 325 L CA 1.941 56.407 54.840 -0.624 0.000 0.747 325 L CB -0.603 40.601 42.059 -1.425 0.000 0.896 325 L HN 0.397 nan 8.230 nan 0.000 0.432 326 E N 0.988 121.177 120.200 -0.018 0.000 2.058 326 E HA -0.237 5.257 4.350 1.907 0.000 0.194 326 E C 2.063 178.774 176.600 0.184 0.000 0.997 326 E CA 1.620 58.152 56.400 0.221 0.000 0.801 326 E CB -0.223 29.579 29.700 0.169 0.000 0.746 326 E HN 0.400 nan 8.360 nan 0.000 0.450 327 I N 0.184 120.832 120.570 0.129 0.000 2.127 327 I HA -0.298 5.016 4.170 1.907 0.000 0.241 327 I C 2.400 178.640 176.117 0.205 0.000 1.075 327 I CA 1.162 62.556 61.300 0.157 0.000 1.334 327 I CB -0.320 37.786 38.000 0.176 0.000 1.040 327 I HN 0.191 nan 8.210 nan 0.000 0.405 328 L N 0.306 121.647 121.223 0.196 0.000 2.083 328 L HA -0.158 5.326 4.340 1.907 0.000 0.209 328 L C 2.618 179.707 176.870 0.365 0.000 1.083 328 L CA 1.554 56.570 54.840 0.294 0.000 0.752 328 L CB -1.158 40.958 42.059 0.095 0.000 0.899 328 L HN 0.355 nan 8.230 nan 0.000 0.433 329 G N -0.443 108.558 108.800 0.335 0.000 2.471 329 G HA2 -0.176 4.928 3.960 1.907 0.000 0.219 329 G HA3 -0.176 4.928 3.960 1.907 0.000 0.219 329 G C 1.674 176.739 174.900 0.276 0.000 1.125 329 G CA 0.295 45.645 45.100 0.418 0.000 0.775 329 G HN 0.169 nan 8.290 nan 0.000 0.548 330 K N 0.158 120.693 120.400 0.224 0.000 2.361 330 K HA 0.104 5.568 4.320 1.907 0.000 0.196 330 K C 1.777 178.438 176.600 0.100 0.000 1.039 330 K CA 0.418 56.791 56.287 0.143 0.000 1.001 330 K CB 0.233 32.804 32.500 0.119 0.000 0.795 330 K HN 0.153 nan 8.250 nan 0.000 0.495 331 K N -0.424 120.050 120.400 0.124 0.000 2.354 331 K HA 0.217 5.681 4.320 1.907 0.000 0.194 331 K C 0.283 176.698 176.600 -0.309 0.000 1.045 331 K CA 0.207 56.451 56.287 -0.073 0.000 1.026 331 K CB 0.432 32.881 32.500 -0.085 0.000 0.866 331 K HN -0.037 nan 8.250 nan 0.000 0.530 332 F N 1.424 121.451 119.950 0.129 0.000 2.588 332 F HA 0.325 5.997 4.527 1.909 0.000 0.314 332 F C -2.182 173.689 175.800 0.119 0.000 1.069 332 F CA -2.654 55.432 58.000 0.143 0.000 0.931 332 F CB 1.756 40.849 39.000 0.155 0.000 1.260 332 F HN -0.243 nan 8.300 nan 0.000 0.465 333 P HA 0.107 nan 4.420 nan 0.000 0.269 333 P C -0.670 176.717 177.300 0.145 0.000 1.252 333 P CA 0.182 63.390 63.100 0.179 0.000 0.780 333 P CB 0.598 32.395 31.700 0.162 0.000 0.829 334 V N 4.611 124.599 119.914 0.124 0.000 2.509 334 V HA 0.309 5.573 4.120 1.907 0.000 0.284 334 V C 1.237 177.355 176.094 0.040 0.000 1.047 334 V CA -0.069 62.288 62.300 0.096 0.000 0.952 334 V CB 1.342 33.224 31.823 0.097 0.000 0.988 334 V HN 0.650 nan 8.190 nan 0.000 0.469 335 T N 1.288 115.857 114.554 0.025 0.000 2.923 335 T HA 0.618 6.112 4.350 1.907 0.000 0.281 335 T C -0.504 174.187 174.700 -0.015 0.000 0.995 335 T CA -0.759 61.343 62.100 0.004 0.000 0.985 335 T CB 1.989 70.861 68.868 0.006 0.000 1.114 335 T HN 0.691 nan 8.240 nan 0.000 0.548 336 E N 1.281 121.469 120.200 -0.020 0.000 2.191 336 E HA 0.321 5.815 4.350 1.907 0.000 0.263 336 E C -0.438 176.162 176.600 -0.001 0.000 0.881 336 E CA -0.896 55.486 56.400 -0.029 0.000 0.757 336 E CB 0.935 30.600 29.700 -0.058 0.000 1.147 336 E HN 0.749 nan 8.360 nan 0.000 0.414 337 N N 1.729 120.447 118.700 0.030 0.000 2.327 337 N HA -0.050 5.834 4.740 1.907 0.000 0.257 337 N C 0.772 176.307 175.510 0.042 0.000 1.281 337 N CA 0.235 53.311 53.050 0.044 0.000 0.942 337 N CB 0.546 39.075 38.487 0.069 0.000 1.199 337 N HN 0.351 nan 8.380 nan 0.000 0.532 338 S N -1.741 113.984 115.700 0.042 0.000 2.507 338 S HA -0.031 5.583 4.470 1.907 0.000 0.235 338 S C 0.941 175.571 174.600 0.049 0.000 0.988 338 S CA 0.427 58.646 58.200 0.032 0.000 0.944 338 S CB -0.272 62.944 63.200 0.026 0.000 0.762 338 S HN 0.512 nan 8.310 nan 0.000 0.526 339 K N 0.691 121.150 120.400 0.099 0.000 2.404 339 K HA 0.274 5.738 4.320 1.907 0.000 0.194 339 K C 1.400 178.071 176.600 0.118 0.000 1.023 339 K CA 0.630 57.013 56.287 0.160 0.000 1.094 339 K CB -0.094 32.562 32.500 0.261 0.000 0.841 339 K HN 0.577 nan 8.250 nan 0.000 0.523 340 G N 1.001 109.814 108.800 0.022 0.000 2.157 340 G HA2 -0.264 4.840 3.960 1.907 0.000 0.239 340 G HA3 -0.264 4.840 3.960 1.907 0.000 0.239 340 G C -0.354 174.361 174.900 -0.308 0.000 0.982 340 G CA -0.154 44.851 45.100 -0.159 0.000 0.650 340 G HN 0.231 nan 8.290 nan 0.000 0.527 341 Y N 0.755 121.028 120.300 -0.044 0.000 2.387 341 Y HA 0.591 6.301 4.550 1.933 0.000 0.330 341 Y C 1.066 176.912 175.900 -0.089 0.000 1.133 341 Y CA -0.738 57.325 58.100 -0.060 0.000 1.152 341 Y CB 1.006 39.468 38.460 0.004 0.000 1.215 341 Y HN -0.014 nan 8.280 nan 0.000 0.466 342 K N 2.358 122.724 120.400 -0.057 0.000 2.326 342 K HA 0.374 5.838 4.320 1.907 0.000 0.275 342 K C -1.341 175.315 176.600 0.093 0.000 1.018 342 K CA -0.440 55.743 56.287 -0.172 0.000 0.962 342 K CB 0.694 32.746 32.500 -0.747 0.000 0.953 342 K HN 0.341 nan 8.250 nan 0.000 0.475 343 L N 4.327 125.610 121.223 0.100 0.000 2.406 343 L HA 0.339 5.823 4.340 1.907 0.000 0.272 343 L C -1.027 175.917 176.870 0.124 0.000 0.980 343 L CA -0.473 54.451 54.840 0.139 0.000 0.831 343 L CB 1.329 43.429 42.059 0.068 0.000 1.253 343 L HN 0.539 nan 8.230 nan 0.000 0.406 344 L N 5.503 126.804 121.223 0.130 0.000 2.476 344 L HA 0.356 5.840 4.340 1.907 0.000 0.264 344 L C -1.774 175.014 176.870 -0.135 0.000 1.224 344 L CA -1.565 53.285 54.840 0.018 0.000 0.821 344 L CB -0.041 41.979 42.059 -0.065 0.000 1.101 344 L HN 0.513 nan 8.230 nan 0.000 0.488 345 P HA 0.031 nan 4.420 nan 0.000 0.269 345 P C -2.081 174.845 177.300 -0.624 0.000 1.215 345 P CA -1.113 61.669 63.100 -0.529 0.000 0.780 345 P CB -0.072 31.014 31.700 -1.023 0.000 0.898 346 P HA -0.143 nan 4.420 nan 0.000 0.225 346 P C 0.698 177.847 177.300 -0.251 0.000 1.148 346 P CA 1.419 64.354 63.100 -0.275 0.000 0.779 346 P CB -0.414 31.204 31.700 -0.136 0.000 0.780 347 Y N -1.542 118.701 120.300 -0.094 0.000 2.490 347 Y HA 0.502 6.198 4.550 1.909 0.000 0.281 347 Y C 0.504 176.273 175.900 -0.218 0.000 1.174 347 Y CA -1.239 56.784 58.100 -0.128 0.000 1.295 347 Y CB -0.767 37.639 38.460 -0.091 0.000 1.062 347 Y HN -0.212 nan 8.280 nan 0.000 0.522 348 L N 1.820 122.871 121.223 -0.288 0.000 2.439 348 L HA 0.645 6.130 4.340 1.907 0.000 0.270 348 L C -1.198 175.484 176.870 -0.314 0.000 0.972 348 L CA -0.979 53.665 54.840 -0.326 0.000 0.836 348 L CB 1.323 43.084 42.059 -0.496 0.000 1.255 348 L HN 0.003 nan 8.230 nan 0.000 0.404 349 R N 2.975 123.298 120.500 -0.295 0.000 2.869 349 R HA 0.836 6.320 4.340 1.907 0.000 0.263 349 R C -1.580 174.550 176.300 -0.283 0.000 1.066 349 R CA -0.884 55.063 56.100 -0.256 0.000 0.960 349 R CB 2.272 32.449 30.300 -0.205 0.000 1.221 349 R HN 0.379 nan 8.270 nan 0.000 0.474 350 V N 1.537 121.292 119.914 -0.264 0.000 2.709 350 V HA 0.547 5.811 4.120 1.907 0.000 0.308 350 V C -0.391 175.536 176.094 -0.279 0.000 1.062 350 V CA -0.856 61.282 62.300 -0.271 0.000 0.901 350 V CB 2.449 34.106 31.823 -0.276 0.000 1.003 350 V HN 0.627 nan 8.190 nan 0.000 0.425 351 I N 3.207 123.627 120.570 -0.249 0.000 2.418 351 I HA 0.543 5.857 4.170 1.907 0.000 0.287 351 I C -0.624 175.362 176.117 -0.219 0.000 1.008 351 I CA -0.620 60.525 61.300 -0.258 0.000 1.104 351 I CB 1.846 39.745 38.000 -0.168 0.000 1.264 351 I HN 0.773 nan 8.210 nan 0.000 0.438 352 Q N 5.675 125.292 119.800 -0.305 0.000 2.360 352 Q HA 0.485 5.969 4.340 1.907 0.000 0.254 352 Q C 0.006 175.968 176.000 -0.064 0.000 0.975 352 Q CA -0.153 55.558 55.803 -0.154 0.000 0.912 352 Q CB 1.511 30.164 28.738 -0.142 0.000 1.212 352 Q HN 0.757 nan 8.270 nan 0.000 0.452 353 G N 3.105 111.917 108.800 0.019 0.000 3.863 353 G HA2 0.131 5.235 3.960 1.907 0.000 0.290 353 G HA3 0.131 5.235 3.960 1.907 0.000 0.290 353 G C -0.765 174.220 174.900 0.141 0.000 1.018 353 G CA -0.252 44.880 45.100 0.053 0.000 0.824 353 G HN 0.617 nan 8.290 nan 0.000 0.507 354 D N -0.789 119.669 120.400 0.097 0.000 2.391 354 D HA 0.464 6.248 4.640 1.907 0.000 0.245 354 D C 1.048 177.388 176.300 0.066 0.000 1.069 354 D CA 0.263 54.319 54.000 0.093 0.000 0.831 354 D CB 1.145 41.995 40.800 0.082 0.000 1.204 354 D HN 0.261 nan 8.370 nan 0.000 0.503 355 G N 2.358 111.192 108.800 0.057 0.000 2.221 355 G HA2 -0.202 4.902 3.960 1.907 0.000 0.265 355 G HA3 -0.202 4.902 3.960 1.907 0.000 0.265 355 G C 0.031 174.944 174.900 0.022 0.000 1.041 355 G CA 0.287 45.410 45.100 0.039 0.000 0.807 355 G HN 0.568 nan 8.290 nan 0.000 0.502 356 V N 1.679 121.600 119.914 0.012 0.000 2.385 356 V HA 0.581 5.845 4.120 1.907 0.000 0.269 356 V C 0.282 176.341 176.094 -0.058 0.000 1.043 356 V CA 0.257 62.540 62.300 -0.028 0.000 0.906 356 V CB 1.238 33.045 31.823 -0.026 0.000 0.995 356 V HN 0.655 nan 8.190 nan 0.000 0.467 357 D N 3.169 123.525 120.400 -0.072 0.000 2.732 357 D HA 0.274 6.058 4.640 1.907 0.000 0.292 357 D C 0.988 177.231 176.300 -0.094 0.000 1.135 357 D CA -0.864 53.098 54.000 -0.062 0.000 1.071 357 D CB 1.144 41.936 40.800 -0.013 0.000 1.457 357 D HN 0.272 nan 8.370 nan 0.000 0.547 358 I N -0.033 120.506 120.570 -0.052 0.000 2.264 358 I HA -0.270 5.044 4.170 1.907 0.000 0.248 358 I C 1.098 177.161 176.117 -0.090 0.000 1.111 358 I CA 1.385 62.645 61.300 -0.067 0.000 1.382 358 I CB -0.120 37.883 38.000 0.006 0.000 1.060 358 I HN 0.250 nan 8.210 nan 0.000 0.418 359 N N 0.415 119.082 118.700 -0.055 0.000 2.080 359 N HA -0.168 5.716 4.740 1.907 0.000 0.189 359 N C 1.901 177.364 175.510 -0.078 0.000 1.036 359 N CA 2.272 55.290 53.050 -0.053 0.000 0.846 359 N CB -0.851 37.625 38.487 -0.019 0.000 1.015 359 N HN 0.520 nan 8.380 nan 0.000 0.423 360 T N -0.050 114.458 114.554 -0.077 0.000 2.904 360 T HA -0.009 5.485 4.350 1.907 0.000 0.267 360 T C 2.124 176.733 174.700 -0.151 0.000 1.059 360 T CA 0.404 62.458 62.100 -0.076 0.000 1.137 360 T CB -0.505 68.341 68.868 -0.036 0.000 0.879 360 T HN 0.117 nan 8.240 nan 0.000 0.467 361 L N 0.707 121.771 121.223 -0.265 0.000 2.012 361 L HA -0.159 5.325 4.340 1.907 0.000 0.210 361 L C 2.969 179.597 176.870 -0.404 0.000 1.073 361 L CA 2.154 56.677 54.840 -0.529 0.000 0.748 361 L CB -0.554 41.117 42.059 -0.645 0.000 0.891 361 L HN 0.302 nan 8.230 nan 0.000 0.431 362 Q N 0.442 120.075 119.800 -0.277 0.000 2.077 362 Q HA -0.335 5.149 4.340 1.907 0.000 0.206 362 Q C 2.036 177.905 176.000 -0.219 0.000 0.989 362 Q CA 2.525 58.182 55.803 -0.242 0.000 0.853 362 Q CB -0.401 28.256 28.738 -0.136 0.000 0.907 362 Q HN 0.662 nan 8.270 nan 0.000 0.418 363 E N -0.537 119.583 120.200 -0.134 0.000 2.085 363 E HA -0.202 5.292 4.350 1.907 0.000 0.194 363 E C 1.924 178.483 176.600 -0.069 0.000 0.994 363 E CA 1.499 57.852 56.400 -0.077 0.000 0.801 363 E CB -0.248 29.429 29.700 -0.038 0.000 0.743 363 E HN 0.581 nan 8.360 nan 0.000 0.453 364 I N 1.090 121.621 120.570 -0.065 0.000 2.202 364 I HA -0.224 5.090 4.170 1.907 0.000 0.242 364 I C 2.677 178.787 176.117 -0.011 0.000 1.091 364 I CA 1.166 62.478 61.300 0.020 0.000 1.368 364 I CB -0.365 37.739 38.000 0.172 0.000 1.058 364 I HN 0.169 nan 8.210 nan 0.000 0.410 365 V N -0.719 119.113 119.914 -0.138 0.000 2.407 365 V HA -0.237 5.027 4.120 1.907 0.000 0.248 365 V C 2.368 178.255 176.094 -0.346 0.000 1.055 365 V CA 2.105 64.250 62.300 -0.258 0.000 1.049 365 V CB -0.863 30.675 31.823 -0.475 0.000 0.662 365 V HN 0.413 nan 8.190 nan 0.000 0.455 366 E N 2.179 122.133 120.200 -0.411 0.000 2.047 366 E HA -0.011 5.483 4.350 1.907 0.000 0.191 366 E C 2.185 178.825 176.600 0.066 0.000 0.987 366 E CA 1.958 58.306 56.400 -0.088 0.000 0.799 366 E CB -1.126 28.560 29.700 -0.024 0.000 0.752 366 E HN 0.559 nan 8.360 nan 0.000 0.449 367 G N 0.310 109.132 108.800 0.036 0.000 2.422 367 G HA2 -0.268 4.836 3.960 1.907 0.000 0.218 367 G HA3 -0.268 4.836 3.960 1.907 0.000 0.218 367 G C 1.665 176.650 174.900 0.142 0.000 1.146 367 G CA 1.086 46.237 45.100 0.085 0.000 0.769 367 G HN 0.260 nan 8.290 nan 0.000 0.547 368 M N 0.089 119.772 119.600 0.138 0.000 2.086 368 M HA -0.041 5.583 4.480 1.907 0.000 0.261 368 M C 2.537 179.023 176.300 0.309 0.000 1.067 368 M CA 1.832 57.271 55.300 0.231 0.000 1.116 368 M CB -0.238 32.467 32.600 0.174 0.000 1.348 368 M HN 0.245 nan 8.290 nan 0.000 0.407 369 K N 0.171 120.729 120.400 0.263 0.000 2.063 369 K HA -0.265 5.199 4.320 1.907 0.000 0.208 369 K C 1.987 178.792 176.600 0.341 0.000 1.048 369 K CA 1.756 58.240 56.287 0.329 0.000 0.928 369 K CB -0.052 32.656 32.500 0.346 0.000 0.713 369 K HN 0.156 nan 8.250 nan 0.000 0.442 370 Q N 0.583 120.529 119.800 0.244 0.000 2.096 370 Q HA -0.088 5.396 4.340 1.907 0.000 0.204 370 Q C 1.018 177.113 176.000 0.159 0.000 0.982 370 Q CA 1.592 57.502 55.803 0.179 0.000 0.850 370 Q CB 0.238 29.061 28.738 0.142 0.000 0.901 370 Q HN 0.083 nan 8.270 nan 0.000 0.422 371 K N -0.499 120.025 120.400 0.208 0.000 2.437 371 K HA 0.123 5.587 4.320 1.907 0.000 0.198 371 K C -0.112 176.533 176.600 0.076 0.000 1.024 371 K CA -0.013 56.388 56.287 0.188 0.000 1.148 371 K CB 0.576 33.275 32.500 0.332 0.000 0.860 371 K HN 0.250 nan 8.250 nan 0.000 0.515 372 M N -1.578 118.099 119.600 0.128 0.000 2.818 372 M HA -0.196 5.428 4.480 1.907 0.000 0.204 372 M C -1.135 175.194 176.300 0.048 0.000 0.552 372 M CA 0.788 56.102 55.300 0.023 0.000 0.687 372 M CB -2.639 29.802 32.600 -0.265 0.000 2.512 372 M HN 0.198 nan 8.290 nan 0.000 0.563 373 W N 0.707 122.177 121.300 0.284 0.000 2.361 373 W HA 0.562 6.358 4.660 1.895 0.000 0.309 373 W C 1.018 177.644 176.519 0.178 0.000 1.122 373 W CA -0.318 57.144 57.345 0.195 0.000 1.208 373 W CB 1.104 30.626 29.460 0.103 0.000 1.246 373 W HN 0.222 nan 8.180 nan 0.000 0.490 374 S N 3.071 118.998 115.700 0.378 0.000 2.568 374 S HA 0.027 5.641 4.470 1.907 0.000 0.282 374 S C 1.154 175.833 174.600 0.133 0.000 1.338 374 S CA -0.376 57.917 58.200 0.155 0.000 1.045 374 S CB 0.434 63.720 63.200 0.144 0.000 0.873 374 S HN 0.401 nan 8.310 nan 0.000 0.516 375 I N 3.733 124.338 120.570 0.058 0.000 3.001 375 I HA -0.017 5.297 4.170 1.907 0.000 0.268 375 I C 2.051 178.198 176.117 0.051 0.000 1.267 375 I CA 0.849 62.194 61.300 0.074 0.000 1.472 375 I CB -1.710 36.353 38.000 0.105 0.000 1.089 375 I HN 0.751 nan 8.210 nan 0.000 0.468 376 E N 1.098 121.324 120.200 0.044 0.000 2.171 376 E HA -0.216 5.278 4.350 1.907 0.000 0.197 376 E C 1.667 178.264 176.600 -0.005 0.000 0.997 376 E CA 1.035 57.450 56.400 0.025 0.000 0.810 376 E CB -0.107 29.609 29.700 0.027 0.000 0.738 376 E HN 0.543 nan 8.360 nan 0.000 0.467 377 N N 0.244 118.946 118.700 0.004 0.000 2.309 377 N HA -0.060 5.824 4.740 1.907 0.000 0.182 377 N C 0.469 175.893 175.510 -0.143 0.000 1.018 377 N CA 0.621 53.637 53.050 -0.057 0.000 0.876 377 N CB 0.240 38.712 38.487 -0.025 0.000 0.972 377 N HN 0.120 nan 8.380 nan 0.000 0.434 378 I N -0.072 120.407 120.570 -0.150 0.000 2.603 378 I HA 0.518 5.832 4.170 1.907 0.000 0.300 378 I C -0.925 175.006 176.117 -0.311 0.000 1.017 378 I CA -0.829 60.292 61.300 -0.298 0.000 1.098 378 I CB 1.854 39.631 38.000 -0.372 0.000 1.279 378 I HN -0.064 nan 8.210 nan 0.000 0.437 379 A N 5.254 127.791 122.820 -0.471 0.000 2.532 379 A HA 0.860 6.324 4.320 1.907 0.000 0.290 379 A C -1.755 175.389 177.584 -0.733 0.000 1.143 379 A CA -0.428 51.379 52.037 -0.384 0.000 0.728 379 A CB 0.906 19.821 19.000 -0.142 0.000 1.317 379 A HN 0.480 nan 8.150 nan 0.000 0.414 380 F N -0.314 119.547 119.950 -0.148 0.000 2.546 380 F HA 0.667 6.343 4.527 1.917 0.000 0.320 380 F C 0.812 176.378 175.800 -0.390 0.000 1.076 380 F CA -0.367 57.494 58.000 -0.232 0.000 0.928 380 F CB 2.695 41.568 39.000 -0.212 0.000 1.189 380 F HN 0.747 nan 8.300 nan 0.000 0.465 381 G N 0.304 108.832 108.800 -0.453 0.000 2.461 381 G HA2 0.520 5.624 3.960 1.907 0.000 0.323 381 G HA3 0.520 5.624 3.960 1.907 0.000 0.323 381 G C -1.575 172.868 174.900 -0.763 0.000 1.229 381 G CA -0.677 43.648 45.100 -1.293 0.000 0.941 381 G HN 0.592 nan 8.290 nan 0.000 0.477 382 S N 0.577 115.938 115.700 -0.565 0.000 2.571 382 S HA 0.717 6.331 4.470 1.907 0.000 0.284 382 S C 0.747 175.300 174.600 -0.078 0.000 1.128 382 S CA 0.133 58.197 58.200 -0.227 0.000 0.970 382 S CB 1.424 64.495 63.200 -0.215 0.000 1.039 382 S HN 0.945 nan 8.310 nan 0.000 0.485 383 G N 3.070 111.898 108.800 0.046 0.000 2.606 383 G HA2 0.338 5.442 3.960 1.907 0.000 0.213 383 G HA3 0.338 5.442 3.960 1.907 0.000 0.213 383 G C 1.312 176.248 174.900 0.060 0.000 2.020 383 G CA 0.456 45.621 45.100 0.108 0.000 0.814 383 G HN 0.943 nan 8.290 nan 0.000 0.685 384 G N 0.613 109.454 108.800 0.069 0.000 2.442 384 G HA2 0.062 5.166 3.960 1.907 0.000 0.219 384 G HA3 0.062 5.166 3.960 1.907 0.000 0.219 384 G C 1.748 176.679 174.900 0.052 0.000 1.141 384 G CA 1.569 46.708 45.100 0.065 0.000 0.763 384 G HN 0.746 nan 8.290 nan 0.000 0.554 385 G N 0.481 109.299 108.800 0.029 0.000 2.450 385 G HA2 -0.125 4.979 3.960 1.907 0.000 0.220 385 G HA3 -0.125 4.979 3.960 1.907 0.000 0.220 385 G C 1.687 176.589 174.900 0.004 0.000 1.130 385 G CA 1.055 46.164 45.100 0.016 0.000 0.760 385 G HN 0.405 nan 8.290 nan 0.000 0.557 386 L N -0.533 120.670 121.223 -0.032 0.000 2.127 386 L HA 0.368 5.852 4.340 1.907 0.000 0.203 386 L C 2.262 179.120 176.870 -0.019 0.000 1.080 386 L CA 1.291 56.086 54.840 -0.076 0.000 0.768 386 L CB 0.016 41.949 42.059 -0.210 0.000 0.924 386 L HN 0.167 nan 8.230 nan 0.000 0.444 387 L N -1.932 119.311 121.223 0.033 0.000 2.781 387 L HA 0.220 5.704 4.340 1.907 0.000 0.245 387 L C 1.609 178.612 176.870 0.223 0.000 1.118 387 L CA 0.084 54.994 54.840 0.116 0.000 0.918 387 L CB 0.414 42.531 42.059 0.097 0.000 1.246 387 L HN 0.276 nan 8.230 nan 0.000 0.526 388 Q N 0.453 120.349 119.800 0.160 0.000 2.459 388 Q HA 0.078 5.562 4.340 1.907 0.000 0.260 388 Q C 1.056 177.149 176.000 0.156 0.000 0.828 388 Q CA 0.533 56.428 55.803 0.153 0.000 0.987 388 Q CB 0.589 29.386 28.738 0.099 0.000 1.216 388 Q HN 0.037 nan 8.270 nan 0.000 0.558 389 K N 1.253 121.728 120.400 0.124 0.000 3.006 389 K HA 0.280 5.744 4.320 1.907 0.000 0.265 389 K C -1.143 175.535 176.600 0.130 0.000 1.279 389 K CA 0.054 56.404 56.287 0.106 0.000 1.229 389 K CB -0.692 31.853 32.500 0.074 0.000 1.555 389 K HN 0.140 nan 8.250 nan 0.000 0.300 390 L N -0.468 120.874 121.223 0.198 0.000 2.466 390 L HA 0.444 5.928 4.340 1.907 0.000 0.258 390 L C -0.490 176.568 176.870 0.314 0.000 0.973 390 L CA -0.951 54.040 54.840 0.251 0.000 0.826 390 L CB 2.535 44.794 42.059 0.333 0.000 1.372 390 L HN -0.037 nan 8.230 nan 0.000 0.409 391 T N -0.637 113.985 114.554 0.114 0.000 2.903 391 T HA 0.298 5.792 4.350 1.907 0.000 0.299 391 T C 0.549 174.873 174.700 -0.628 0.000 1.093 391 T CA -0.554 61.382 62.100 -0.272 0.000 1.002 391 T CB 2.654 71.431 68.868 -0.151 0.000 1.127 391 T HN 0.625 nan 8.240 nan 0.000 0.488 392 R N 0.755 120.523 120.500 -1.220 0.000 2.200 392 R HA -0.120 5.364 4.340 1.907 0.000 0.234 392 R C 1.434 177.512 176.300 -0.370 0.000 1.127 392 R CA 1.420 56.951 56.100 -0.948 0.000 0.989 392 R CB -0.002 29.698 30.300 -1.001 0.000 0.869 392 R HN 0.520 nan 8.270 nan 0.000 0.459 393 D N 0.184 120.407 120.400 -0.294 0.000 2.218 393 D HA -0.159 5.625 4.640 1.907 0.000 0.204 393 D C 1.690 177.926 176.300 -0.106 0.000 0.976 393 D CA 0.633 54.537 54.000 -0.159 0.000 0.853 393 D CB 0.116 40.839 40.800 -0.127 0.000 0.939 393 D HN 0.174 nan 8.370 nan 0.000 0.481 394 L N -0.001 121.156 121.223 -0.109 0.000 2.056 394 L HA -0.047 5.438 4.340 1.907 0.000 0.207 394 L C 1.821 178.627 176.870 -0.106 0.000 1.078 394 L CA 1.431 56.205 54.840 -0.111 0.000 0.749 394 L CB -0.014 41.942 42.059 -0.171 0.000 0.901 394 L HN 0.025 nan 8.230 nan 0.000 0.433 395 L N -1.135 120.047 121.223 -0.067 0.000 2.808 395 L HA 0.262 5.746 4.340 1.907 0.000 0.246 395 L C 0.110 176.966 176.870 -0.024 0.000 1.153 395 L CA -0.159 54.668 54.840 -0.021 0.000 0.956 395 L CB -0.416 41.663 42.059 0.032 0.000 1.270 395 L HN 0.259 nan 8.230 nan 0.000 0.528 396 N N -0.434 118.233 118.700 -0.056 0.000 2.714 396 N HA -0.180 5.704 4.740 1.907 0.000 0.252 396 N C -0.150 175.276 175.510 -0.140 0.000 1.014 396 N CA 0.181 53.179 53.050 -0.087 0.000 0.735 396 N CB -1.482 36.968 38.487 -0.063 0.000 0.924 396 N HN 0.308 nan 8.380 nan 0.000 0.540 397 C N 0.523 119.748 119.300 -0.125 0.000 2.633 397 C HA 0.438 6.042 4.460 1.907 0.000 0.415 397 C C 1.114 175.910 174.990 -0.323 0.000 1.393 397 C CA -0.199 58.664 59.018 -0.258 0.000 1.700 397 C CB 0.006 27.840 27.740 0.157 0.000 2.541 397 C HN 0.500 nan 8.230 nan 0.000 0.603 398 S N 2.279 117.614 115.700 -0.609 0.000 2.533 398 S HA 0.689 6.303 4.470 1.907 0.000 0.271 398 S C -1.409 172.961 174.600 -0.383 0.000 1.143 398 S CA -0.428 57.570 58.200 -0.337 0.000 0.891 398 S CB 0.907 63.948 63.200 -0.265 0.000 1.105 398 S HN 0.589 nan 8.310 nan 0.000 0.468 399 F N 4.523 124.307 119.950 -0.276 0.000 2.507 399 F HA 0.740 6.411 4.527 1.906 0.000 0.328 399 F C -0.675 175.001 175.800 -0.207 0.000 1.136 399 F CA -0.391 57.473 58.000 -0.227 0.000 0.930 399 F CB 1.009 40.042 39.000 0.056 0.000 1.166 399 F HN 0.376 nan 8.300 nan 0.000 0.436 400 K N 5.177 125.245 120.400 -0.553 0.000 2.498 400 K HA 0.271 5.735 4.320 1.907 0.000 0.254 400 K C -1.389 175.107 176.600 -0.174 0.000 0.933 400 K CA -0.646 55.502 56.287 -0.233 0.000 0.806 400 K CB 1.721 34.140 32.500 -0.136 0.000 1.301 400 K HN 0.739 nan 8.250 nan 0.000 0.432 401 C N 2.403 121.729 119.300 0.043 0.000 2.629 401 C HA 0.197 5.801 4.460 1.907 0.000 0.410 401 C C 1.590 176.733 174.990 0.254 0.000 1.339 401 C CA 0.421 59.530 59.018 0.151 0.000 1.810 401 C CB -1.185 26.673 27.740 0.196 0.000 2.549 401 C HN 0.852 nan 8.230 nan 0.000 0.589 402 S N 3.459 119.373 115.700 0.358 0.000 2.632 402 S HA 0.242 5.856 4.470 1.907 0.000 0.237 402 S C -0.359 174.466 174.600 0.374 0.000 1.037 402 S CA -0.186 58.232 58.200 0.364 0.000 1.009 402 S CB 0.071 63.462 63.200 0.319 0.000 0.974 402 S HN 0.965 nan 8.310 nan 0.000 0.544 403 Y N 1.327 121.755 120.300 0.212 0.000 2.436 403 Y HA 0.533 6.227 4.550 1.907 0.000 0.327 403 Y C -1.377 174.586 175.900 0.106 0.000 1.138 403 Y CA -1.134 57.019 58.100 0.088 0.000 1.042 403 Y CB 1.761 40.150 38.460 -0.119 0.000 1.302 403 Y HN 0.307 nan 8.280 nan 0.000 0.439 404 V N 3.027 122.672 119.914 -0.448 0.000 3.040 404 V HA 0.905 6.169 4.120 1.907 0.000 0.312 404 V C -1.748 173.987 176.094 -0.599 0.000 1.115 404 V CA -1.012 61.063 62.300 -0.375 0.000 0.998 404 V CB 1.692 33.428 31.823 -0.145 0.000 1.042 404 V HN 0.568 nan 8.190 nan 0.000 0.433 405 V N 2.295 122.000 119.914 -0.350 0.000 2.378 405 V HA 0.665 5.929 4.120 1.907 0.000 0.288 405 V C 0.047 176.046 176.094 -0.159 0.000 1.016 405 V CA 0.074 62.223 62.300 -0.251 0.000 0.840 405 V CB 1.569 33.309 31.823 -0.137 0.000 0.994 405 V HN 1.119 nan 8.190 nan 0.000 0.431 406 T N 4.480 118.952 114.554 -0.137 0.000 2.881 406 T HA 0.385 5.880 4.350 1.907 0.000 0.291 406 T C 0.210 174.862 174.700 -0.079 0.000 0.990 406 T CA -0.507 61.528 62.100 -0.108 0.000 0.976 406 T CB 0.805 69.613 68.868 -0.099 0.000 0.970 406 T HN 0.690 nan 8.240 nan 0.000 0.438 407 N N 2.060 120.719 118.700 -0.069 0.000 2.725 407 N HA -0.235 5.649 4.740 1.907 0.000 0.251 407 N C 1.173 176.660 175.510 -0.038 0.000 1.031 407 N CA 1.378 54.399 53.050 -0.048 0.000 0.720 407 N CB -1.111 37.351 38.487 -0.041 0.000 0.930 407 N HN 1.345 nan 8.380 nan 0.000 0.543 408 G N -1.246 107.530 108.800 -0.039 0.000 2.196 408 G HA2 -0.323 4.781 3.960 1.907 0.000 0.268 408 G HA3 -0.323 4.781 3.960 1.907 0.000 0.268 408 G C 0.072 174.958 174.900 -0.022 0.000 0.975 408 G CA 0.718 45.803 45.100 -0.024 0.000 0.648 408 G HN 0.445 nan 8.290 nan 0.000 0.538 409 L N 1.039 122.238 121.223 -0.040 0.000 2.296 409 L HA 0.588 6.072 4.340 1.907 0.000 0.286 409 L C 1.127 177.948 176.870 -0.082 0.000 1.023 409 L CA -0.323 54.495 54.840 -0.037 0.000 0.812 409 L CB 1.567 43.607 42.059 -0.033 0.000 1.223 409 L HN 0.162 nan 8.230 nan 0.000 0.421 410 G N 4.336 113.104 108.800 -0.053 0.000 2.380 410 G HA2 0.503 5.607 3.960 1.907 0.000 0.262 410 G HA3 0.503 5.607 3.960 1.907 0.000 0.262 410 G C -0.459 174.361 174.900 -0.133 0.000 1.243 410 G CA -0.280 44.713 45.100 -0.180 0.000 0.865 410 G HN 0.654 nan 8.290 nan 0.000 0.513 411 I N -0.513 119.884 120.570 -0.287 0.000 2.689 411 I HA 0.518 5.832 4.170 1.907 0.000 0.299 411 I C -0.986 175.127 176.117 -0.007 0.000 1.059 411 I CA -1.464 59.788 61.300 -0.080 0.000 1.055 411 I CB 2.451 40.422 38.000 -0.049 0.000 1.243 411 I HN 0.152 nan 8.210 nan 0.000 0.425 412 N N 5.089 123.872 118.700 0.139 0.000 2.444 412 N HA 0.481 6.365 4.740 1.907 0.000 0.271 412 N C -0.430 175.237 175.510 0.261 0.000 1.069 412 N CA -0.296 52.887 53.050 0.222 0.000 0.965 412 N CB 1.829 40.418 38.487 0.169 0.000 1.092 412 N HN 0.642 nan 8.380 nan 0.000 0.476 413 V N -0.261 119.825 119.914 0.287 0.000 3.001 413 V HA 0.980 6.245 4.120 1.907 0.000 0.314 413 V C -0.757 175.578 176.094 0.402 0.000 1.099 413 V CA -0.915 61.546 62.300 0.268 0.000 0.989 413 V CB 1.577 33.464 31.823 0.107 0.000 1.040 413 V HN 0.608 nan 8.190 nan 0.000 0.434 414 F N -0.009 119.987 119.950 0.077 0.000 2.799 414 F HA 0.735 6.406 4.527 1.906 0.000 0.316 414 F C -1.077 174.759 175.800 0.060 0.000 1.155 414 F CA -1.213 56.836 58.000 0.081 0.000 0.916 414 F CB 1.278 40.318 39.000 0.065 0.000 1.294 414 F HN 0.830 nan 8.300 nan 0.000 0.447 415 K N 0.270 120.713 120.400 0.071 0.000 2.166 415 K HA 0.711 6.175 4.320 1.907 0.000 0.245 415 K C -1.685 175.027 176.600 0.188 0.000 0.967 415 K CA -0.716 55.567 56.287 -0.006 0.000 0.863 415 K CB 2.156 34.669 32.500 0.022 0.000 1.107 415 K HN 0.697 nan 8.250 nan 0.000 0.436 416 D N 1.924 122.395 120.400 0.117 0.000 2.978 416 D HA 0.279 6.063 4.640 1.907 0.000 0.268 416 D C -2.584 173.767 176.300 0.085 0.000 1.252 416 D CA -1.314 52.789 54.000 0.171 0.000 0.771 416 D CB 0.667 41.654 40.800 0.313 0.000 1.361 416 D HN 0.364 nan 8.370 nan 0.000 0.558 417 P HA 0.021 nan 4.420 nan 0.000 0.267 417 P C 1.245 178.565 177.300 0.034 0.000 1.205 417 P CA -0.414 62.705 63.100 0.032 0.000 0.765 417 P CB 1.480 33.195 31.700 0.025 0.000 0.828 418 V N 3.615 123.545 119.914 0.026 0.000 2.282 418 V HA -0.301 4.963 4.120 1.907 0.000 0.249 418 V C 1.850 177.957 176.094 0.022 0.000 1.057 418 V CA 2.778 65.093 62.300 0.025 0.000 1.032 418 V CB -1.034 30.800 31.823 0.019 0.000 0.645 418 V HN 0.696 nan 8.190 nan 0.000 0.447 419 A N -1.376 121.454 122.820 0.017 0.000 2.238 419 A HA 0.074 5.538 4.320 1.907 0.000 0.208 419 A C 0.923 178.516 177.584 0.015 0.000 1.177 419 A CA 1.024 53.069 52.037 0.014 0.000 0.804 419 A CB -0.179 18.827 19.000 0.009 0.000 0.823 419 A HN 0.616 nan 8.150 nan 0.000 0.482 420 D N -1.650 118.762 120.400 0.019 0.000 2.381 420 D HA 0.296 6.080 4.640 1.907 0.000 0.245 420 D C -2.371 173.945 176.300 0.027 0.000 1.297 420 D CA -1.481 52.531 54.000 0.019 0.000 0.931 420 D CB 1.173 41.981 40.800 0.014 0.000 1.334 420 D HN -0.109 nan 8.370 nan 0.000 0.535 421 P HA -0.110 nan 4.420 nan 0.000 0.217 421 P C 1.178 178.498 177.300 0.032 0.000 1.148 421 P CA 0.755 63.875 63.100 0.033 0.000 0.828 421 P CB 0.347 32.063 31.700 0.026 0.000 0.783 422 N N -0.510 118.205 118.700 0.024 0.000 2.364 422 N HA -0.120 5.764 4.740 1.907 0.000 0.183 422 N C 1.195 176.719 175.510 0.023 0.000 1.022 422 N CA 0.985 54.047 53.050 0.021 0.000 0.883 422 N CB -0.157 38.339 38.487 0.014 0.000 0.965 422 N HN 0.339 nan 8.380 nan 0.000 0.438 423 K N 0.705 121.122 120.400 0.029 0.000 2.404 423 K HA 0.075 5.539 4.320 1.907 0.000 0.194 423 K C 0.599 177.236 176.600 0.063 0.000 1.023 423 K CA -0.272 56.035 56.287 0.032 0.000 1.094 423 K CB 0.473 32.988 32.500 0.024 0.000 0.841 423 K HN 0.087 nan 8.250 nan 0.000 0.523 424 R N 2.495 123.042 120.500 0.077 0.000 2.537 424 R HA -0.041 5.443 4.340 1.907 0.000 0.281 424 R C -0.078 176.303 176.300 0.134 0.000 0.988 424 R CA 0.293 56.465 56.100 0.121 0.000 1.077 424 R CB 0.394 30.751 30.300 0.095 0.000 0.932 424 R HN 0.061 nan 8.270 nan 0.000 0.409 425 S N 3.157 118.980 115.700 0.205 0.000 2.722 425 S HA 0.392 6.006 4.470 1.907 0.000 0.292 425 S C -0.498 174.231 174.600 0.214 0.000 1.135 425 S CA -0.982 57.365 58.200 0.245 0.000 1.003 425 S CB 1.708 65.070 63.200 0.270 0.000 1.067 425 S HN 0.576 nan 8.310 nan 0.000 0.546 426 K N 0.607 121.119 120.400 0.187 0.000 2.126 426 K HA 0.342 5.806 4.320 1.907 0.000 0.257 426 K C -0.422 176.177 176.600 -0.001 0.000 1.007 426 K CA -0.395 55.859 56.287 -0.054 0.000 0.928 426 K CB 0.553 32.837 32.500 -0.361 0.000 1.013 426 K HN 0.509 nan 8.250 nan 0.000 0.473 427 K N 0.957 121.314 120.400 -0.072 0.000 2.244 427 K HA 0.446 5.910 4.320 1.907 0.000 0.260 427 K C 0.024 176.617 176.600 -0.012 0.000 0.951 427 K CA -0.523 55.766 56.287 0.004 0.000 0.826 427 K CB 1.747 34.180 32.500 -0.112 0.000 1.108 427 K HN 0.828 nan 8.250 nan 0.000 0.433 428 G N 2.035 110.886 108.800 0.084 0.000 2.681 428 G HA2 -0.270 4.834 3.960 1.907 0.000 0.220 428 G HA3 -0.270 4.834 3.960 1.907 0.000 0.220 428 G C -0.908 173.873 174.900 -0.199 0.000 1.353 428 G CA -0.827 44.282 45.100 0.015 0.000 0.872 428 G HN 0.617 nan 8.290 nan 0.000 0.557 429 R N -0.565 119.613 120.500 -0.536 0.000 2.438 429 R HA 0.563 6.047 4.340 1.907 0.000 0.287 429 R C 0.293 176.437 176.300 -0.260 0.000 1.077 429 R CA -0.123 55.561 56.100 -0.694 0.000 1.034 429 R CB 0.405 30.165 30.300 -0.900 0.000 0.993 429 R HN 0.441 nan 8.270 nan 0.000 0.459 430 L N 1.230 122.421 121.223 -0.053 0.000 2.333 430 L HA 0.586 6.070 4.340 1.907 0.000 0.269 430 L C -0.154 176.711 176.870 -0.007 0.000 1.010 430 L CA -0.773 54.039 54.840 -0.046 0.000 0.818 430 L CB 2.138 44.137 42.059 -0.100 0.000 1.306 430 L HN 0.774 nan 8.230 nan 0.000 0.430 431 S N 1.465 117.150 115.700 -0.026 0.000 2.550 431 S HA 0.711 6.325 4.470 1.907 0.000 0.270 431 S C -1.358 173.160 174.600 -0.137 0.000 1.145 431 S CA -0.792 57.368 58.200 -0.067 0.000 0.852 431 S CB 2.297 65.524 63.200 0.044 0.000 1.119 431 S HN 0.438 nan 8.310 nan 0.000 0.465 432 L N 2.522 123.550 121.223 -0.324 0.000 2.322 432 L HA 0.686 6.170 4.340 1.907 0.000 0.281 432 L C -1.063 175.540 176.870 -0.445 0.000 1.014 432 L CA 0.068 54.778 54.840 -0.217 0.000 0.815 432 L CB 1.032 43.036 42.059 -0.090 0.000 1.247 432 L HN 0.921 nan 8.230 nan 0.000 0.421 433 H N 2.870 121.966 119.070 0.043 0.000 2.895 433 H HA 0.448 6.148 4.556 1.907 0.000 0.373 433 H C -0.806 174.555 175.328 0.054 0.000 1.174 433 H CA -1.113 54.960 56.048 0.041 0.000 1.144 433 H CB 1.857 31.587 29.762 -0.054 0.000 1.793 433 H HN 0.384 nan 8.280 nan 0.000 0.551 434 R N 1.430 122.021 120.500 0.151 0.000 2.389 434 R HA 0.133 5.617 4.340 1.907 0.000 0.295 434 R C 0.081 176.451 176.300 0.117 0.000 1.075 434 R CA -0.139 55.948 56.100 -0.022 0.000 1.005 434 R CB 0.278 30.556 30.300 -0.036 0.000 0.987 434 R HN 0.790 nan 8.270 nan 0.000 0.452 435 T N 1.426 116.007 114.554 0.045 0.000 2.874 435 T HA 0.327 5.821 4.350 1.907 0.000 0.281 435 T C -1.555 173.175 174.700 0.050 0.000 0.994 435 T CA -1.637 60.557 62.100 0.158 0.000 1.015 435 T CB 1.195 70.135 68.868 0.120 0.000 1.028 435 T HN 0.367 nan 8.240 nan 0.000 0.523 436 P HA -0.052 nan 4.420 nan 0.000 0.216 436 P C 1.315 178.600 177.300 -0.024 0.000 1.154 436 P CA 1.464 64.549 63.100 -0.025 0.000 0.865 436 P CB -0.281 31.388 31.700 -0.052 0.000 0.789 437 A N -1.486 121.324 122.820 -0.016 0.000 2.238 437 A HA 0.418 5.882 4.320 1.907 0.000 0.208 437 A C 1.591 179.149 177.584 -0.044 0.000 1.177 437 A CA 0.813 52.836 52.037 -0.023 0.000 0.804 437 A CB -1.190 17.804 19.000 -0.011 0.000 0.823 437 A HN 0.272 nan 8.150 nan 0.000 0.482 438 G N -0.846 107.911 108.800 -0.071 0.000 2.141 438 G HA2 -0.252 4.852 3.960 1.907 0.000 0.231 438 G HA3 -0.252 4.852 3.960 1.907 0.000 0.231 438 G C 0.071 174.830 174.900 -0.234 0.000 0.984 438 G CA 0.310 45.330 45.100 -0.133 0.000 0.660 438 G HN 0.649 nan 8.290 nan 0.000 0.525 439 N N -1.097 117.487 118.700 -0.193 0.000 2.645 439 N HA 0.801 6.685 4.740 1.907 0.000 0.308 439 N C -0.443 174.818 175.510 -0.416 0.000 1.335 439 N CA -0.555 52.376 53.050 -0.199 0.000 0.909 439 N CB 0.479 38.966 38.487 0.001 0.000 1.109 439 N HN 0.089 nan 8.380 nan 0.000 0.555 440 F N -0.163 119.818 119.950 0.053 0.000 2.546 440 F HA 0.654 6.324 4.527 1.905 0.000 0.320 440 F C -0.387 175.425 175.800 0.021 0.000 1.076 440 F CA -0.845 57.185 58.000 0.049 0.000 0.928 440 F CB 1.752 40.782 39.000 0.050 0.000 1.189 440 F HN -0.029 nan 8.300 nan 0.000 0.465 441 V N 1.467 121.479 119.914 0.163 0.000 2.808 441 V HA 0.549 5.813 4.120 1.907 0.000 0.308 441 V C -1.011 175.086 176.094 0.005 0.000 1.099 441 V CA -0.266 62.047 62.300 0.022 0.000 0.920 441 V CB 2.369 34.110 31.823 -0.137 0.000 1.014 441 V HN 0.768 nan 8.190 nan 0.000 0.425 442 T N 7.963 122.504 114.554 -0.022 0.000 2.738 442 T HA 0.516 6.010 4.350 1.907 0.000 0.298 442 T C -0.200 174.449 174.700 -0.085 0.000 0.962 442 T CA -0.086 61.988 62.100 -0.042 0.000 0.972 442 T CB 0.380 69.210 68.868 -0.064 0.000 0.928 442 T HN 0.507 nan 8.240 nan 0.000 0.474 443 L N 3.822 125.009 121.223 -0.060 0.000 2.305 443 L HA 0.431 5.915 4.340 1.907 0.000 0.281 443 L C 0.816 177.628 176.870 -0.097 0.000 1.085 443 L CA -0.470 54.308 54.840 -0.104 0.000 0.813 443 L CB 0.880 42.864 42.059 -0.126 0.000 1.157 443 L HN 0.583 nan 8.230 nan 0.000 0.436 444 E N 1.536 121.668 120.200 -0.113 0.000 2.259 444 E HA 0.257 5.751 4.350 1.907 0.000 0.257 444 E C -0.374 176.158 176.600 -0.114 0.000 0.998 444 E CA -0.752 55.573 56.400 -0.126 0.000 0.866 444 E CB 0.980 30.600 29.700 -0.133 0.000 1.220 444 E HN 0.494 nan 8.360 nan 0.000 0.415 445 E N -0.359 119.769 120.200 -0.120 0.000 2.586 445 E HA -0.291 5.203 4.350 1.907 0.000 0.259 445 E C 0.460 176.983 176.600 -0.129 0.000 1.107 445 E CA 0.240 56.577 56.400 -0.105 0.000 0.754 445 E CB -1.826 27.832 29.700 -0.071 0.000 1.335 445 E HN 0.976 nan 8.360 nan 0.000 0.411 446 G N 0.089 108.782 108.800 -0.178 0.000 2.166 446 G HA2 -0.431 4.673 3.960 1.907 0.000 0.260 446 G HA3 -0.431 4.673 3.960 1.907 0.000 0.260 446 G C 0.780 175.619 174.900 -0.100 0.000 0.986 446 G CA 0.913 45.908 45.100 -0.175 0.000 0.683 446 G HN 0.398 nan 8.290 nan 0.000 0.527 447 K N 0.104 120.455 120.400 -0.082 0.000 2.360 447 K HA -0.003 5.461 4.320 1.907 0.000 0.201 447 K C 2.669 179.237 176.600 -0.052 0.000 1.046 447 K CA 0.838 57.090 56.287 -0.059 0.000 0.945 447 K CB -0.309 32.157 32.500 -0.057 0.000 0.750 447 K HN 0.423 nan 8.250 nan 0.000 0.464 448 G N 1.687 110.466 108.800 -0.034 0.000 2.479 448 G HA2 -0.240 4.864 3.960 1.907 0.000 0.220 448 G HA3 -0.240 4.864 3.960 1.907 0.000 0.220 448 G C 0.913 175.824 174.900 0.017 0.000 1.115 448 G CA 0.746 45.854 45.100 0.014 0.000 0.757 448 G HN 0.225 nan 8.290 nan 0.000 0.560 449 D N 0.460 120.855 120.400 -0.008 0.000 2.264 449 D HA -0.034 5.751 4.640 1.907 0.000 0.208 449 D C 2.469 178.764 176.300 -0.009 0.000 0.966 449 D CA 0.254 54.248 54.000 -0.010 0.000 0.864 449 D CB -0.103 40.678 40.800 -0.031 0.000 0.933 449 D HN 0.321 nan 8.370 nan 0.000 0.499 450 L N 0.128 121.342 121.223 -0.016 0.000 2.456 450 L HA -0.073 5.411 4.340 1.907 0.000 0.224 450 L C 0.412 177.275 176.870 -0.012 0.000 1.148 450 L CA 0.390 55.221 54.840 -0.015 0.000 0.825 450 L CB -0.482 41.568 42.059 -0.015 0.000 0.937 450 L HN -0.008 nan 8.230 nan 0.000 0.450 451 E N 0.030 120.226 120.200 -0.006 0.000 2.360 451 E HA -0.254 5.240 4.350 1.907 0.000 0.238 451 E C 0.633 177.223 176.600 -0.017 0.000 1.186 451 E CA 0.478 56.879 56.400 0.002 0.000 0.719 451 E CB -0.793 28.913 29.700 0.011 0.000 1.236 451 E HN 0.553 nan 8.360 nan 0.000 0.386 452 E N -1.052 119.132 120.200 -0.027 0.000 2.479 452 E HA -0.016 5.478 4.350 1.907 0.000 0.193 452 E C 0.253 176.731 176.600 -0.202 0.000 1.049 452 E CA 0.355 56.693 56.400 -0.104 0.000 0.870 452 E CB 0.349 29.981 29.700 -0.114 0.000 0.944 452 E HN 0.392 nan 8.360 nan 0.000 0.492 453 Y N -0.017 120.190 120.300 -0.155 0.000 2.742 453 Y HA 0.264 5.958 4.550 1.906 0.000 0.248 453 Y C 0.623 176.506 175.900 -0.028 0.000 1.132 453 Y CA 0.032 58.036 58.100 -0.159 0.000 1.142 453 Y CB 1.219 39.445 38.460 -0.391 0.000 1.222 453 Y HN 0.066 nan 8.280 nan 0.000 0.575 454 G N 1.336 110.217 108.800 0.135 0.000 2.804 454 G HA2 -0.242 4.862 3.960 1.907 0.000 0.230 454 G HA3 -0.242 4.862 3.960 1.907 0.000 0.230 454 G C -0.247 174.812 174.900 0.264 0.000 1.386 454 G CA -0.317 44.881 45.100 0.162 0.000 0.875 454 G HN 0.407 nan 8.290 nan 0.000 0.557 455 Q N 0.039 119.951 119.800 0.187 0.000 2.354 455 Q HA 0.459 5.943 4.340 1.907 0.000 0.244 455 Q C -0.128 175.907 176.000 0.059 0.000 0.969 455 Q CA -0.271 55.619 55.803 0.144 0.000 0.885 455 Q CB 1.037 29.817 28.738 0.070 0.000 1.241 455 Q HN 0.576 nan 8.270 nan 0.000 0.461 456 D N 1.565 121.917 120.400 -0.080 0.000 2.487 456 D HA -0.041 5.743 4.640 1.907 0.000 0.243 456 D C 0.519 176.643 176.300 -0.293 0.000 1.154 456 D CA 0.217 54.001 54.000 -0.360 0.000 0.876 456 D CB 0.647 41.312 40.800 -0.225 0.000 1.161 456 D HN 0.629 nan 8.370 nan 0.000 0.478 457 L N 3.225 124.286 121.223 -0.270 0.000 2.552 457 L HA 0.049 5.533 4.340 1.907 0.000 0.227 457 L C 0.719 177.410 176.870 -0.299 0.000 1.146 457 L CA 0.117 54.855 54.840 -0.170 0.000 0.858 457 L CB -0.400 41.693 42.059 0.056 0.000 0.969 457 L HN 0.263 nan 8.230 nan 0.000 0.451 458 L N 0.022 121.061 121.223 -0.306 0.000 2.349 458 L HA 0.285 5.769 4.340 1.907 0.000 0.275 458 L C -0.069 176.587 176.870 -0.356 0.000 1.115 458 L CA -0.190 54.518 54.840 -0.221 0.000 0.820 458 L CB 0.429 42.420 42.059 -0.113 0.000 1.135 458 L HN 0.085 nan 8.230 nan 0.000 0.445 459 H N 0.738 119.811 119.070 0.006 0.000 2.622 459 H HA 0.246 5.946 4.556 1.906 0.000 0.363 459 H C -0.601 174.765 175.328 0.064 0.000 1.151 459 H CA -0.774 55.297 56.048 0.040 0.000 1.184 459 H CB 2.097 31.897 29.762 0.064 0.000 1.643 459 H HN 0.467 nan 8.280 nan 0.000 0.531 460 T N 2.357 117.014 114.554 0.172 0.000 2.784 460 T HA 0.076 5.570 4.350 1.907 0.000 0.291 460 T C 1.603 176.389 174.700 0.144 0.000 0.942 460 T CA -0.137 62.045 62.100 0.136 0.000 1.161 460 T CB 0.094 69.018 68.868 0.094 0.000 0.885 460 T HN 0.511 nan 8.240 nan 0.000 0.534 461 V N 1.550 121.562 119.914 0.164 0.000 3.635 461 V HA 0.548 5.812 4.120 1.907 0.000 0.266 461 V C 0.034 176.245 176.094 0.194 0.000 1.316 461 V CA -0.079 62.317 62.300 0.160 0.000 1.060 461 V CB -0.359 31.578 31.823 0.190 0.000 0.820 461 V HN 0.659 nan 8.190 nan 0.000 0.447 462 F N 1.018 120.981 119.950 0.022 0.000 2.588 462 F HA 0.745 6.416 4.527 1.907 0.000 0.314 462 F C -0.813 174.994 175.800 0.012 0.000 1.134 462 F CA -0.763 57.241 58.000 0.007 0.000 0.961 462 F CB 1.795 40.791 39.000 -0.007 0.000 1.239 462 F HN -0.076 nan 8.300 nan 0.000 0.448 463 K N 5.036 125.211 120.400 -0.374 0.000 2.619 463 K HA 0.299 5.763 4.320 1.907 0.000 0.251 463 K C -0.906 175.455 176.600 -0.398 0.000 0.987 463 K CA -0.573 55.585 56.287 -0.214 0.000 0.844 463 K CB 1.090 33.539 32.500 -0.086 0.000 1.237 463 K HN 0.885 nan 8.250 nan 0.000 0.447 464 N N 2.838 121.377 118.700 -0.269 0.000 2.725 464 N HA -0.251 5.633 4.740 1.907 0.000 0.251 464 N C 0.391 175.768 175.510 -0.220 0.000 1.031 464 N CA 0.743 53.668 53.050 -0.209 0.000 0.720 464 N CB -0.759 37.628 38.487 -0.167 0.000 0.930 464 N HN 1.067 nan 8.380 nan 0.000 0.543 465 G N -1.367 107.173 108.800 -0.433 0.000 2.176 465 G HA2 -0.326 4.778 3.960 1.907 0.000 0.253 465 G HA3 -0.326 4.778 3.960 1.907 0.000 0.253 465 G C -0.219 174.459 174.900 -0.370 0.000 0.979 465 G CA 0.534 45.503 45.100 -0.218 0.000 0.641 465 G HN 0.317 nan 8.290 nan 0.000 0.530 466 K N 0.488 120.491 120.400 -0.662 0.000 2.324 466 K HA 0.630 6.094 4.320 1.907 0.000 0.253 466 K C -0.005 176.332 176.600 -0.438 0.000 0.932 466 K CA -0.860 55.197 56.287 -0.383 0.000 0.799 466 K CB 2.624 34.997 32.500 -0.211 0.000 1.154 466 K HN 0.108 nan 8.250 nan 0.000 0.425 467 V N 3.066 122.881 119.914 -0.166 0.000 2.439 467 V HA 0.022 5.286 4.120 1.907 0.000 0.271 467 V C 1.467 177.525 176.094 -0.060 0.000 1.040 467 V CA 0.307 62.585 62.300 -0.036 0.000 1.002 467 V CB 0.394 32.230 31.823 0.022 0.000 1.000 467 V HN 0.964 nan 8.190 nan 0.000 0.477 468 T N 1.114 115.644 114.554 -0.040 0.000 2.990 468 T HA 0.252 5.746 4.350 1.907 0.000 0.250 468 T C 0.409 175.081 174.700 -0.047 0.000 1.041 468 T CA -0.191 61.882 62.100 -0.046 0.000 1.010 468 T CB 0.261 69.110 68.868 -0.033 0.000 1.003 468 T HN 0.427 nan 8.240 nan 0.000 0.499 469 K N 0.890 121.259 120.400 -0.051 0.000 2.565 469 K HA 0.601 6.065 4.320 1.907 0.000 0.251 469 K C -1.702 174.780 176.600 -0.196 0.000 0.956 469 K CA -0.273 55.929 56.287 -0.141 0.000 0.809 469 K CB 2.180 34.613 32.500 -0.112 0.000 1.267 469 K HN 0.029 nan 8.250 nan 0.000 0.438 470 S N 2.540 118.053 115.700 -0.311 0.000 2.568 470 S HA 0.615 6.229 4.470 1.907 0.000 0.302 470 S C -1.441 172.842 174.600 -0.528 0.000 1.082 470 S CA -0.573 57.469 58.200 -0.263 0.000 1.009 470 S CB 0.560 63.691 63.200 -0.116 0.000 1.069 470 S HN 0.434 nan 8.310 nan 0.000 0.500 471 Y N 1.046 121.423 120.300 0.128 0.000 2.429 471 Y HA 0.483 6.178 4.550 1.908 0.000 0.342 471 Y C 0.858 176.913 175.900 0.258 0.000 1.004 471 Y CA -0.874 57.328 58.100 0.170 0.000 1.075 471 Y CB 1.359 39.932 38.460 0.188 0.000 1.214 471 Y HN 0.696 nan 8.280 nan 0.000 0.455 472 S N 1.389 117.282 115.700 0.321 0.000 2.614 472 S HA 0.152 5.766 4.470 1.907 0.000 0.265 472 S C 0.652 175.469 174.600 0.361 0.000 1.303 472 S CA -0.518 57.873 58.200 0.319 0.000 1.000 472 S CB 0.516 63.836 63.200 0.201 0.000 0.935 472 S HN 0.672 nan 8.310 nan 0.000 0.551 473 F N 1.231 121.296 119.950 0.191 0.000 2.216 473 F HA -0.054 5.617 4.527 1.906 0.000 0.300 473 F C 1.792 177.590 175.800 -0.003 0.000 1.085 473 F CA 1.659 59.684 58.000 0.041 0.000 1.326 473 F CB -0.405 38.596 39.000 0.002 0.000 1.027 473 F HN 0.633 nan 8.300 nan 0.000 0.497 474 D N 0.205 120.670 120.400 0.108 0.000 2.117 474 D HA -0.192 5.592 4.640 1.907 0.000 0.197 474 D C 2.065 178.348 176.300 -0.030 0.000 0.987 474 D CA 1.561 55.571 54.000 0.017 0.000 0.829 474 D CB -0.429 40.412 40.800 0.069 0.000 0.961 474 D HN 0.470 nan 8.370 nan 0.000 0.460 475 E N 0.351 120.574 120.200 0.038 0.000 2.077 475 E HA -0.107 5.387 4.350 1.907 0.000 0.193 475 E C 2.418 179.009 176.600 -0.015 0.000 0.989 475 E CA 0.412 56.851 56.400 0.064 0.000 0.800 475 E CB -0.043 29.774 29.700 0.196 0.000 0.746 475 E HN 0.294 nan 8.360 nan 0.000 0.452 476 I N 0.922 121.433 120.570 -0.097 0.000 2.226 476 I HA -0.293 5.021 4.170 1.907 0.000 0.245 476 I C 2.502 178.415 176.117 -0.342 0.000 1.100 476 I CA 1.216 62.377 61.300 -0.232 0.000 1.374 476 I CB -0.205 37.571 38.000 -0.373 0.000 1.057 476 I HN 0.023 nan 8.210 nan 0.000 0.413 477 R N 0.616 120.843 120.500 -0.454 0.000 2.081 477 R HA -0.217 5.267 4.340 1.907 0.000 0.235 477 R C 2.336 178.497 176.300 -0.233 0.000 1.131 477 R CA 1.495 57.358 56.100 -0.395 0.000 0.960 477 R CB -0.352 29.725 30.300 -0.371 0.000 0.856 477 R HN 0.324 nan 8.270 nan 0.000 0.436 478 K N 1.121 121.428 120.400 -0.155 0.000 2.026 478 K HA -0.139 5.325 4.320 1.907 0.000 0.208 478 K C 1.524 178.066 176.600 -0.097 0.000 1.048 478 K CA 1.825 58.053 56.287 -0.098 0.000 0.929 478 K CB -0.082 32.391 32.500 -0.045 0.000 0.713 478 K HN 0.229 nan 8.250 nan 0.000 0.439 479 N N -0.181 118.473 118.700 -0.076 0.000 2.223 479 N HA -0.145 5.739 4.740 1.907 0.000 0.185 479 N C 1.271 176.706 175.510 -0.126 0.000 1.016 479 N CA 0.871 53.876 53.050 -0.075 0.000 0.863 479 N CB -0.046 38.489 38.487 0.080 0.000 0.983 479 N HN 0.245 nan 8.380 nan 0.000 0.429 480 A N 0.534 123.270 122.820 -0.140 0.000 2.308 480 A HA 0.080 5.544 4.320 1.907 0.000 0.217 480 A C 0.500 177.989 177.584 -0.158 0.000 1.216 480 A CA -0.238 51.711 52.037 -0.147 0.000 0.864 480 A CB 0.141 19.028 19.000 -0.189 0.000 0.902 480 A HN 0.239 nan 8.150 nan 0.000 0.499 481 Q N 0.098 119.806 119.800 -0.154 0.000 2.354 481 Q HA 0.129 5.613 4.340 1.907 0.000 0.310 481 Q C -0.358 175.569 176.000 -0.122 0.000 1.104 481 Q CA 0.284 56.000 55.803 -0.145 0.000 0.968 481 Q CB 0.448 29.115 28.738 -0.120 0.000 1.251 481 Q HN 0.511 nan 8.270 nan 0.000 0.411 482 L N 2.319 123.469 121.223 -0.122 0.000 2.467 482 L HA -0.066 5.418 4.340 1.907 0.000 0.270 482 L C 1.449 178.275 176.870 -0.073 0.000 1.205 482 L CA -0.550 54.235 54.840 -0.092 0.000 0.828 482 L CB 0.183 42.187 42.059 -0.092 0.000 1.101 482 L HN 0.709 nan 8.230 nan 0.000 0.479 483 N N 1.362 120.029 118.700 -0.054 0.000 1.997 483 N HA -0.123 5.761 4.740 1.907 0.000 0.198 483 N C 0.805 176.289 175.510 -0.043 0.000 1.063 483 N CA 0.729 53.753 53.050 -0.044 0.000 0.860 483 N CB -0.234 38.234 38.487 -0.032 0.000 1.063 483 N HN 0.372 nan 8.380 nan 0.000 0.424 484 I N 0.000 120.546 120.570 -0.040 0.000 2.984 484 I HA 0.000 5.314 4.170 1.907 0.000 0.288 484 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 484 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494