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 3dgr_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 0.000 175.800 175.800 0.000 0.000 0.967 9 F CA 0.000 58.015 58.000 0.025 0.000 1.383 9 F CB 0.000 39.064 39.000 0.107 0.000 1.145 10 N N 7.079 125.295 118.700 -0.806 0.000 2.524 10 N HA 0.300 6.702 4.740 2.770 0.000 0.261 10 N C 0.628 175.639 175.510 -0.832 0.000 0.998 10 N CA -0.447 52.235 53.050 -0.614 0.000 0.915 10 N CB 1.174 39.429 38.487 -0.387 0.000 1.187 10 N HN 0.910 nan 8.380 nan 0.000 0.507 11 I N 2.579 122.810 120.570 -0.565 0.000 2.423 11 I HA -0.228 5.604 4.170 2.770 0.000 0.254 11 I C 0.822 176.913 176.117 -0.044 0.000 1.151 11 I CA 0.901 62.063 61.300 -0.231 0.000 1.421 11 I CB 0.338 38.400 38.000 0.104 0.000 1.079 11 I HN 0.493 nan 8.210 nan 0.000 0.431 12 L N 0.048 121.101 121.223 -0.283 0.000 2.362 12 L HA -0.101 5.901 4.340 2.770 0.000 0.219 12 L C 1.749 178.757 176.870 0.231 0.000 1.134 12 L CA 1.315 56.054 54.840 -0.167 0.000 0.807 12 L CB -0.447 41.252 42.059 -0.600 0.000 0.927 12 L HN 0.227 nan 8.230 nan 0.000 0.447 13 L N -1.159 120.027 121.223 -0.063 0.000 2.728 13 L HA 0.315 6.317 4.340 2.770 0.000 0.238 13 L C 1.118 177.930 176.870 -0.096 0.000 1.143 13 L CA -0.093 54.684 54.840 -0.104 0.000 0.937 13 L CB 0.021 41.897 42.059 -0.306 0.000 1.225 13 L HN 0.115 nan 8.230 nan 0.000 0.507 14 A N -0.344 122.449 122.820 -0.044 0.000 2.965 14 A HA 0.460 6.442 4.320 2.770 0.000 0.304 14 A C 0.222 177.805 177.584 -0.001 0.000 1.214 14 A CA -0.015 51.998 52.037 -0.040 0.000 0.977 14 A CB 0.096 19.073 19.000 -0.038 0.000 1.127 14 A HN 0.121 nan 8.150 nan 0.000 0.572 15 T N -0.606 113.895 114.554 -0.089 0.000 2.901 15 T HA 0.344 6.357 4.350 2.770 0.000 0.293 15 T C -1.182 173.415 174.700 -0.170 0.000 1.084 15 T CA -0.603 61.341 62.100 -0.260 0.000 1.008 15 T CB 0.983 69.366 68.868 -0.808 0.000 1.170 15 T HN 0.327 nan 8.240 nan 0.000 0.509 16 D N 2.138 122.457 120.400 -0.136 0.000 2.458 16 D HA 0.088 6.390 4.640 2.770 0.000 0.243 16 D C 1.095 177.396 176.300 0.000 0.000 1.146 16 D CA 0.279 54.297 54.000 0.031 0.000 0.877 16 D CB 1.339 42.295 40.800 0.260 0.000 1.176 16 D HN 0.468 nan 8.370 nan 0.000 0.461 17 S N 1.840 117.618 115.700 0.129 0.000 2.380 17 S HA -0.265 5.867 4.470 2.770 0.000 0.229 17 S C 1.812 176.580 174.600 0.280 0.000 1.043 17 S CA 1.400 59.720 58.200 0.200 0.000 1.038 17 S CB -0.453 62.893 63.200 0.243 0.000 0.872 17 S HN 0.707 nan 8.310 nan 0.000 0.456 18 Y N 1.050 121.381 120.300 0.052 0.000 2.333 18 Y HA 0.074 6.286 4.550 2.770 0.000 0.290 18 Y C 1.812 177.484 175.900 -0.380 0.000 1.144 18 Y CA 0.857 58.968 58.100 0.018 0.000 1.228 18 Y CB -0.406 38.093 38.460 0.064 0.000 0.985 18 Y HN 0.051 nan 8.280 nan 0.000 0.542 19 K N 0.715 120.564 120.400 -0.918 0.000 2.360 19 K HA -0.077 5.905 4.320 2.770 0.000 0.201 19 K C 1.836 178.051 176.600 -0.642 0.000 1.046 19 K CA 1.092 56.656 56.287 -1.205 0.000 0.945 19 K CB -0.142 31.876 32.500 -0.805 0.000 0.750 19 K HN 0.277 nan 8.250 nan 0.000 0.464 20 V N 1.345 120.993 119.914 -0.444 0.000 2.568 20 V HA -0.225 5.557 4.120 2.770 0.000 0.253 20 V C 2.228 178.326 176.094 0.007 0.000 1.072 20 V CA 2.275 64.468 62.300 -0.178 0.000 1.084 20 V CB -0.701 30.933 31.823 -0.314 0.000 0.676 20 V HN 0.544 nan 8.190 nan 0.000 0.469 21 T N -4.275 110.206 114.554 -0.121 0.000 3.086 21 T HA 0.049 6.061 4.350 2.770 0.000 0.250 21 T C 1.310 176.051 174.700 0.069 0.000 1.074 21 T CA 0.250 62.327 62.100 -0.038 0.000 0.988 21 T CB -0.505 68.288 68.868 -0.124 0.000 0.988 21 T HN 0.623 nan 8.240 nan 0.000 0.530 22 H N 0.061 119.180 119.070 0.081 0.000 2.502 22 H HA 0.036 6.254 4.556 2.770 0.000 0.283 22 H C 1.888 177.338 175.328 0.204 0.000 1.015 22 H CA 1.276 57.344 56.048 0.034 0.000 1.298 22 H CB -0.154 29.623 29.762 0.026 0.000 1.411 22 H HN 0.719 nan 8.280 nan 0.000 0.556 23 Y N 1.234 121.705 120.300 0.285 0.000 2.403 23 Y HA -0.081 6.131 4.550 2.770 0.000 0.291 23 Y C 1.499 177.572 175.900 0.289 0.000 1.143 23 Y CA 0.632 58.906 58.100 0.290 0.000 1.257 23 Y CB -0.173 38.198 38.460 -0.147 0.000 0.984 23 Y HN -0.101 nan 8.280 nan 0.000 0.550 24 K N 0.249 120.307 120.400 -0.570 0.000 2.444 24 K HA 0.036 6.018 4.320 2.770 0.000 0.193 24 K C 1.370 177.880 176.600 -0.149 0.000 1.024 24 K CA 0.537 56.567 56.287 -0.428 0.000 1.077 24 K CB 0.088 32.256 32.500 -0.553 0.000 0.833 24 K HN 0.568 nan 8.250 nan 0.000 0.517 25 Q N -0.913 118.843 119.800 -0.072 0.000 2.391 25 Q HA 0.104 6.106 4.340 2.770 0.000 0.243 25 Q C -0.188 175.732 176.000 -0.133 0.000 0.874 25 Q CA -0.059 55.661 55.803 -0.138 0.000 0.950 25 Q CB 0.416 29.018 28.738 -0.227 0.000 1.103 25 Q HN 0.214 nan 8.270 nan 0.000 0.544 26 Y N 2.049 122.394 120.300 0.075 0.000 2.511 26 Y HA 0.033 6.245 4.550 2.770 0.000 0.347 26 Y C -1.803 174.091 175.900 -0.011 0.000 1.257 26 Y CA -1.764 56.377 58.100 0.069 0.000 1.469 26 Y CB -0.140 38.445 38.460 0.209 0.000 1.353 26 Y HN 0.040 nan 8.280 nan 0.000 0.617 27 P HA 0.015 nan 4.420 nan 0.000 0.265 27 P C -2.500 174.779 177.300 -0.035 0.000 1.193 27 P CA -0.774 62.340 63.100 0.023 0.000 0.765 27 P CB 0.022 31.724 31.700 0.004 0.000 0.823 28 P HA -0.057 nan 4.420 nan 0.000 0.266 28 P C -0.162 177.066 177.300 -0.119 0.000 1.193 28 P CA 0.550 63.597 63.100 -0.087 0.000 0.770 28 P CB -0.060 31.607 31.700 -0.056 0.000 0.836 29 N N -2.240 116.367 118.700 -0.156 0.000 2.776 29 N HA -0.140 6.262 4.740 2.770 0.000 0.250 29 N C -0.787 174.613 175.510 -0.183 0.000 1.112 29 N CA 0.785 53.747 53.050 -0.147 0.000 0.733 29 N CB -2.039 36.393 38.487 -0.091 0.000 1.097 29 N HN 0.358 nan 8.380 nan 0.000 0.558 30 T N -0.217 114.162 114.554 -0.291 0.000 2.780 30 T HA 0.392 6.404 4.350 2.770 0.000 0.294 30 T C 1.190 175.683 174.700 -0.344 0.000 0.949 30 T CA 0.039 61.957 62.100 -0.303 0.000 1.074 30 T CB 1.250 69.922 68.868 -0.327 0.000 0.910 30 T HN 0.330 nan 8.240 nan 0.000 0.501 31 S N 1.778 117.380 115.700 -0.164 0.000 2.603 31 S HA 0.346 6.478 4.470 2.770 0.000 0.232 31 S C 0.186 174.791 174.600 0.009 0.000 1.016 31 S CA -0.577 57.588 58.200 -0.059 0.000 0.976 31 S CB 0.148 63.324 63.200 -0.041 0.000 0.921 31 S HN 0.495 nan 8.310 nan 0.000 0.516 32 K N 0.876 121.267 120.400 -0.015 0.000 2.565 32 K HA 0.591 6.573 4.320 2.770 0.000 0.251 32 K C -2.130 174.473 176.600 0.005 0.000 0.956 32 K CA -0.361 55.941 56.287 0.026 0.000 0.809 32 K CB 2.080 34.608 32.500 0.046 0.000 1.267 32 K HN 0.014 nan 8.250 nan 0.000 0.438 33 V N 5.349 125.288 119.914 0.042 0.000 2.444 33 V HA 0.425 6.207 4.120 2.770 0.000 0.294 33 V C -1.378 174.829 176.094 0.188 0.000 1.022 33 V CA -0.760 61.574 62.300 0.057 0.000 0.850 33 V CB 1.257 33.034 31.823 -0.077 0.000 0.992 33 V HN 0.763 nan 8.190 nan 0.000 0.426 34 Y N 3.993 124.364 120.300 0.118 0.000 2.328 34 Y HA 0.723 6.935 4.550 2.770 0.000 0.336 34 Y C 0.113 176.079 175.900 0.110 0.000 0.960 34 Y CA 0.044 58.234 58.100 0.151 0.000 1.134 34 Y CB 1.717 40.340 38.460 0.271 0.000 1.166 34 Y HN 0.638 nan 8.280 nan 0.000 0.464 35 S N 5.098 120.669 115.700 -0.214 0.000 2.671 35 S HA 0.617 6.749 4.470 2.770 0.000 0.299 35 S C -1.757 172.515 174.600 -0.546 0.000 1.116 35 S CA -0.685 57.312 58.200 -0.338 0.000 0.912 35 S CB 1.719 64.599 63.200 -0.532 0.000 1.130 35 S HN 0.705 nan 8.310 nan 0.000 0.501 36 Y N -0.510 119.334 120.300 -0.760 0.000 2.597 36 Y HA 0.809 7.020 4.550 2.769 0.000 0.340 36 Y C -1.850 173.694 175.900 -0.594 0.000 1.097 36 Y CA -1.515 56.228 58.100 -0.595 0.000 1.037 36 Y CB 0.909 39.173 38.460 -0.326 0.000 1.305 36 Y HN 0.574 nan 8.280 nan 0.000 0.463 37 F N 2.959 122.436 119.950 -0.788 0.000 2.482 37 F HA 0.631 6.819 4.527 2.768 0.000 0.331 37 F C -0.778 174.807 175.800 -0.358 0.000 1.115 37 F CA -0.314 57.254 58.000 -0.721 0.000 0.955 37 F CB 1.428 39.709 39.000 -1.199 0.000 1.136 37 F HN 0.799 nan 8.300 nan 0.000 0.452 38 E N 3.540 123.331 120.200 -0.682 0.000 2.429 38 E HA 0.503 6.515 4.350 2.770 0.000 0.276 38 E C -1.842 174.506 176.600 -0.420 0.000 0.953 38 E CA -1.145 55.084 56.400 -0.285 0.000 0.787 38 E CB 1.581 31.289 29.700 0.014 0.000 1.307 38 E HN 0.510 nan 8.360 nan 0.000 0.458 39 C N 2.186 121.413 119.300 -0.122 0.000 2.176 39 C HA 0.411 6.533 4.460 2.770 0.000 0.329 39 C C 0.332 175.299 174.990 -0.038 0.000 1.113 39 C CA -0.616 58.361 59.018 -0.068 0.000 1.562 39 C CB -1.310 26.470 27.740 0.066 0.000 2.040 39 C HN 0.508 nan 8.230 nan 0.000 0.460 40 R N 1.848 122.305 120.500 -0.071 0.000 2.640 40 R HA 0.062 6.064 4.340 2.770 0.000 0.270 40 R C 0.715 177.017 176.300 0.003 0.000 1.024 40 R CA 0.295 56.377 56.100 -0.029 0.000 1.085 40 R CB 0.765 31.042 30.300 -0.039 0.000 0.963 40 R HN 0.736 nan 8.270 nan 0.000 0.426 55 E N 0.362 120.635 120.200 0.122 0.000 2.481 55 E HA 0.007 6.020 4.350 2.770 0.000 0.195 55 E C 0.032 176.688 176.600 0.093 0.000 1.047 55 E CA 0.484 56.943 56.400 0.098 0.000 0.867 55 E CB 0.446 30.183 29.700 0.063 0.000 0.858 55 E HN 0.674 nan 8.360 nan 0.000 0.513 56 E N 1.001 121.263 120.200 0.103 0.000 2.314 56 E HA 0.326 6.338 4.350 2.770 0.000 0.272 56 E C -0.880 175.782 176.600 0.103 0.000 0.884 56 E CA -1.026 55.421 56.400 0.079 0.000 0.753 56 E CB 1.739 31.472 29.700 0.055 0.000 1.213 56 E HN 0.048 nan 8.360 nan 0.000 0.432 57 T N -0.973 113.636 114.554 0.091 0.000 2.885 57 T HA 0.469 6.481 4.350 2.770 0.000 0.285 57 T C -0.119 174.652 174.700 0.119 0.000 1.019 57 T CA -0.797 61.378 62.100 0.124 0.000 1.010 57 T CB 1.393 70.356 68.868 0.159 0.000 1.022 57 T HN 0.290 nan 8.240 nan 0.000 0.466 58 V N 3.840 123.824 119.914 0.117 0.000 2.408 58 V HA 0.305 6.087 4.120 2.770 0.000 0.267 58 V C -0.149 176.058 176.094 0.189 0.000 1.047 58 V CA -0.745 61.622 62.300 0.112 0.000 0.937 58 V CB -0.202 31.642 31.823 0.034 0.000 0.999 58 V HN 0.859 nan 8.190 nan 0.000 0.472 59 F N 7.853 127.854 119.950 0.086 0.000 2.434 59 F HA 0.532 6.720 4.527 2.769 0.000 0.358 59 F C -0.641 175.228 175.800 0.115 0.000 1.136 59 F CA -0.617 57.443 58.000 0.101 0.000 1.157 59 F CB 0.108 39.163 39.000 0.091 0.000 1.167 59 F HN 0.528 nan 8.300 nan 0.000 0.539 60 Y N 4.516 124.483 120.300 -0.555 0.000 2.479 60 Y HA 0.554 6.767 4.550 2.772 0.000 0.338 60 Y C 0.081 175.685 175.900 -0.493 0.000 1.055 60 Y CA -0.719 57.083 58.100 -0.496 0.000 1.023 60 Y CB 2.047 40.324 38.460 -0.305 0.000 1.287 60 Y HN 0.713 nan 8.280 nan 0.000 0.447 61 G N 4.151 112.240 108.800 -1.185 0.000 2.296 61 G HA2 -0.231 5.391 3.960 2.770 0.000 0.188 61 G HA3 -0.231 5.391 3.960 2.770 0.000 0.188 61 G C 0.641 175.258 174.900 -0.470 0.000 1.000 61 G CA 0.109 44.619 45.100 -0.984 0.000 0.672 61 G HN 0.806 nan 8.290 nan 0.000 0.483 62 L N 0.571 121.496 121.223 -0.497 0.000 2.093 62 L HA -0.002 6.000 4.340 2.770 0.000 0.208 62 L C 2.737 179.475 176.870 -0.219 0.000 1.085 62 L CA 2.621 57.242 54.840 -0.365 0.000 0.755 62 L CB -0.222 41.621 42.059 -0.359 0.000 0.904 62 L HN 0.545 nan 8.230 nan 0.000 0.435 63 Q N -1.107 118.617 119.800 -0.126 0.000 2.124 63 Q HA -0.305 5.697 4.340 2.770 0.000 0.202 63 Q C 2.130 177.977 176.000 -0.254 0.000 0.977 63 Q CA 2.037 57.760 55.803 -0.134 0.000 0.850 63 Q CB -0.367 28.296 28.738 -0.125 0.000 0.901 63 Q HN 0.562 nan 8.270 nan 0.000 0.429 64 Y N 0.818 120.863 120.300 -0.426 0.000 2.081 64 Y HA -0.281 5.932 4.550 2.772 0.000 0.280 64 Y C 1.729 177.291 175.900 -0.564 0.000 1.163 64 Y CA 2.160 59.879 58.100 -0.634 0.000 1.135 64 Y CB -0.286 37.857 38.460 -0.529 0.000 0.970 64 Y HN 0.142 nan 8.280 nan 0.000 0.498 65 I N -0.383 119.958 120.570 -0.383 0.000 2.315 65 I HA -0.303 5.529 4.170 2.770 0.000 0.248 65 I C 2.328 178.268 176.117 -0.295 0.000 1.117 65 I CA 1.020 62.116 61.300 -0.340 0.000 1.404 65 I CB -0.416 37.511 38.000 -0.121 0.000 1.071 65 I HN 0.260 nan 8.210 nan 0.000 0.419 66 L N 0.416 121.496 121.223 -0.239 0.000 2.012 66 L HA -0.245 5.757 4.340 2.770 0.000 0.210 66 L C 2.302 179.124 176.870 -0.081 0.000 1.073 66 L CA 1.478 56.236 54.840 -0.136 0.000 0.748 66 L CB -0.793 41.252 42.059 -0.023 0.000 0.891 66 L HN 0.373 nan 8.230 nan 0.000 0.431 67 N N -0.079 118.531 118.700 -0.150 0.000 2.173 67 N HA -0.150 6.252 4.740 2.770 0.000 0.184 67 N C 1.861 177.276 175.510 -0.158 0.000 1.025 67 N CA 0.980 53.986 53.050 -0.073 0.000 0.852 67 N CB 0.009 38.538 38.487 0.070 0.000 0.998 67 N HN 0.301 nan 8.380 nan 0.000 0.427 68 K N -0.100 120.018 120.400 -0.470 0.000 2.057 68 K HA -0.091 5.891 4.320 2.770 0.000 0.206 68 K C 1.059 177.242 176.600 -0.695 0.000 1.050 68 K CA 1.275 57.108 56.287 -0.757 0.000 0.935 68 K CB 0.123 31.652 32.500 -1.618 0.000 0.715 68 K HN 0.265 nan 8.250 nan 0.000 0.439 69 Y N -1.575 118.513 120.300 -0.352 0.000 2.526 69 Y HA 0.159 6.370 4.550 2.769 0.000 0.265 69 Y C 1.623 177.496 175.900 -0.045 0.000 1.092 69 Y CA -0.387 57.533 58.100 -0.301 0.000 1.277 69 Y CB 0.728 38.944 38.460 -0.407 0.000 1.228 69 Y HN -0.111 nan 8.280 nan 0.000 0.507 70 L N 0.331 121.593 121.223 0.065 0.000 2.537 70 L HA 0.123 6.125 4.340 2.770 0.000 0.224 70 L C 0.594 177.602 176.870 0.231 0.000 1.065 70 L CA 0.094 54.974 54.840 0.066 0.000 0.860 70 L CB 0.260 42.183 42.059 -0.226 0.000 1.086 70 L HN 0.001 nan 8.230 nan 0.000 0.482 71 K N 0.573 121.114 120.400 0.235 0.000 2.107 71 K HA 0.557 6.539 4.320 2.770 0.000 0.251 71 K C 0.529 177.129 176.600 -0.001 0.000 1.012 71 K CA 0.223 56.648 56.287 0.230 0.000 0.920 71 K CB 1.075 33.663 32.500 0.147 0.000 1.033 71 K HN 0.028 nan 8.250 nan 0.000 0.478 72 G N 0.972 109.661 108.800 -0.185 0.000 2.642 72 G HA2 -0.325 5.297 3.960 2.770 0.000 0.231 72 G HA3 -0.325 5.297 3.960 2.770 0.000 0.231 72 G C -1.056 173.395 174.900 -0.748 0.000 1.338 72 G CA 0.137 44.961 45.100 -0.459 0.000 0.883 72 G HN 0.894 nan 8.290 nan 0.000 0.570 73 K N 0.349 120.470 120.400 -0.465 0.000 2.262 73 K HA 0.455 6.437 4.320 2.770 0.000 0.288 73 K C 1.483 178.058 176.600 -0.041 0.000 1.090 73 K CA 0.224 56.401 56.287 -0.183 0.000 0.918 73 K CB 0.366 32.900 32.500 0.057 0.000 1.139 73 K HN 1.224 nan 8.250 nan 0.000 0.462 74 V N 1.443 121.361 119.914 0.008 0.000 3.644 74 V HA 0.172 5.954 4.120 2.770 0.000 0.267 74 V C 0.235 176.362 176.094 0.056 0.000 1.277 74 V CA -0.228 62.112 62.300 0.066 0.000 1.096 74 V CB 0.543 32.441 31.823 0.125 0.000 0.828 74 V HN 0.260 nan 8.190 nan 0.000 0.446 75 V N 2.572 122.542 119.914 0.094 0.000 2.435 75 V HA 0.732 6.514 4.120 2.770 0.000 0.290 75 V C 0.224 176.364 176.094 0.076 0.000 1.030 75 V CA 0.505 62.858 62.300 0.087 0.000 0.881 75 V CB 1.111 33.077 31.823 0.237 0.000 0.983 75 V HN 0.677 nan 8.190 nan 0.000 0.445 76 T N 0.709 115.283 114.554 0.033 0.000 2.883 76 T HA 0.484 6.496 4.350 2.770 0.000 0.296 76 T C 0.534 175.251 174.700 0.028 0.000 1.117 76 T CA -0.761 61.360 62.100 0.036 0.000 1.006 76 T CB 2.189 71.067 68.868 0.017 0.000 1.191 76 T HN 0.317 nan 8.240 nan 0.000 0.508 77 K N 0.654 121.075 120.400 0.034 0.000 2.097 77 K HA -0.054 5.928 4.320 2.770 0.000 0.206 77 K C 1.772 178.379 176.600 0.011 0.000 1.049 77 K CA 1.592 57.900 56.287 0.035 0.000 0.933 77 K CB -0.756 31.765 32.500 0.035 0.000 0.717 77 K HN 0.728 nan 8.250 nan 0.000 0.442 78 E N 0.417 120.615 120.200 -0.004 0.000 2.077 78 E HA -0.118 5.894 4.350 2.770 0.000 0.193 78 E C 1.883 178.450 176.600 -0.056 0.000 0.989 78 E CA 1.462 57.847 56.400 -0.025 0.000 0.800 78 E CB -0.051 29.634 29.700 -0.024 0.000 0.746 78 E HN 0.295 nan 8.360 nan 0.000 0.452 79 K N 0.041 120.402 120.400 -0.066 0.000 2.097 79 K HA -0.032 5.950 4.320 2.770 0.000 0.205 79 K C 2.129 178.638 176.600 -0.152 0.000 1.050 79 K CA 0.863 57.074 56.287 -0.127 0.000 0.938 79 K CB -0.129 32.286 32.500 -0.142 0.000 0.718 79 K HN 0.124 nan 8.250 nan 0.000 0.442 80 I N 0.968 121.496 120.570 -0.070 0.000 2.127 80 I HA -0.327 5.505 4.170 2.770 0.000 0.241 80 I C 2.683 178.791 176.117 -0.014 0.000 1.075 80 I CA 1.258 62.569 61.300 0.017 0.000 1.334 80 I CB -0.229 37.849 38.000 0.131 0.000 1.040 80 I HN 0.155 nan 8.210 nan 0.000 0.405 81 Q N 1.143 120.934 119.800 -0.015 0.000 2.061 81 Q HA -0.285 5.717 4.340 2.770 0.000 0.204 81 Q C 2.026 177.957 176.000 -0.115 0.000 0.984 81 Q CA 2.091 57.874 55.803 -0.033 0.000 0.846 81 Q CB -0.312 28.415 28.738 -0.017 0.000 0.902 81 Q HN 0.454 nan 8.270 nan 0.000 0.421 82 E N -0.974 119.138 120.200 -0.147 0.000 2.070 82 E HA -0.266 5.746 4.350 2.770 0.000 0.197 82 E C 1.750 178.160 176.600 -0.317 0.000 1.004 82 E CA 1.308 57.589 56.400 -0.198 0.000 0.805 82 E CB -0.282 29.305 29.700 -0.188 0.000 0.744 82 E HN 0.443 nan 8.360 nan 0.000 0.451 83 A N 1.501 124.072 122.820 -0.415 0.000 1.877 83 A HA -0.235 5.747 4.320 2.770 0.000 0.216 83 A C 2.143 179.270 177.584 -0.762 0.000 1.186 83 A CA 1.870 53.499 52.037 -0.679 0.000 0.620 83 A CB -0.596 17.968 19.000 -0.726 0.000 0.822 83 A HN 0.261 nan 8.150 nan 0.000 0.443 84 K N -0.476 119.532 120.400 -0.653 0.000 2.034 84 K HA -0.258 5.724 4.320 2.770 0.000 0.214 84 K C 1.482 178.020 176.600 -0.103 0.000 1.051 84 K CA 2.053 58.177 56.287 -0.271 0.000 0.931 84 K CB -0.293 32.236 32.500 0.048 0.000 0.715 84 K HN 0.462 nan 8.250 nan 0.000 0.446 85 D N 0.111 120.434 120.400 -0.129 0.000 2.097 85 D HA -0.137 6.165 4.640 2.770 0.000 0.195 85 D C 2.066 178.303 176.300 -0.104 0.000 0.989 85 D CA 1.155 55.106 54.000 -0.081 0.000 0.827 85 D CB -0.360 40.389 40.800 -0.085 0.000 0.966 85 D HN 0.069 nan 8.370 nan 0.000 0.456 86 V N 0.622 120.395 119.914 -0.235 0.000 2.287 86 V HA -0.279 5.503 4.120 2.770 0.000 0.248 86 V C 2.210 178.210 176.094 -0.157 0.000 1.053 86 V CA 1.557 63.682 62.300 -0.292 0.000 1.027 86 V CB -0.839 30.669 31.823 -0.524 0.000 0.646 86 V HN 0.262 nan 8.190 nan 0.000 0.447 87 Y N 0.113 120.403 120.300 -0.017 0.000 2.293 87 Y HA -0.233 5.978 4.550 2.770 0.000 0.291 87 Y C 2.586 178.654 175.900 0.280 0.000 1.137 87 Y CA 1.628 59.842 58.100 0.190 0.000 1.202 87 Y CB -0.162 38.420 38.460 0.204 0.000 0.990 87 Y HN 0.179 nan 8.280 nan 0.000 0.537 88 K N 0.510 121.083 120.400 0.289 0.000 2.032 88 K HA -0.211 5.771 4.320 2.770 0.000 0.209 88 K C 1.818 178.531 176.600 0.189 0.000 1.048 88 K CA 1.833 58.252 56.287 0.221 0.000 0.927 88 K CB 0.060 32.640 32.500 0.133 0.000 0.712 88 K HN 0.135 nan 8.250 nan 0.000 0.441 89 E N -0.438 119.843 120.200 0.135 0.000 2.072 89 E HA -0.181 5.831 4.350 2.770 0.000 0.190 89 E C 2.044 178.714 176.600 0.118 0.000 0.982 89 E CA 1.156 57.614 56.400 0.098 0.000 0.803 89 E CB -0.510 29.218 29.700 0.047 0.000 0.755 89 E HN 0.469 nan 8.360 nan 0.000 0.453 90 H N -0.189 118.895 119.070 0.023 0.000 2.319 90 H HA -0.071 6.147 4.556 2.770 0.000 0.299 90 H C 1.544 176.782 175.328 -0.150 0.000 1.092 90 H CA 1.618 57.611 56.048 -0.092 0.000 1.302 90 H CB -0.320 29.368 29.762 -0.124 0.000 1.373 90 H HN 0.077 nan 8.280 nan 0.000 0.497 91 F N 0.250 120.258 119.950 0.098 0.000 2.743 91 F HA 0.045 6.234 4.527 2.770 0.000 0.297 91 F C 0.714 176.525 175.800 0.019 0.000 1.131 91 F CA 0.296 58.309 58.000 0.022 0.000 1.426 91 F CB 0.331 39.386 39.000 0.091 0.000 1.116 91 F HN 0.056 nan 8.300 nan 0.000 0.583 92 Q N 1.565 121.476 119.800 0.185 0.000 2.451 92 Q HA -0.260 5.742 4.340 2.770 0.000 0.305 92 Q C -1.044 175.037 176.000 0.136 0.000 1.345 92 Q CA 1.304 57.181 55.803 0.122 0.000 0.854 92 Q CB -1.755 27.023 28.738 0.067 0.000 1.162 92 Q HN 0.591 nan 8.270 nan 0.000 0.440 93 D N -0.675 119.829 120.400 0.173 0.000 2.884 93 D HA 0.104 6.406 4.640 2.770 0.000 0.255 93 D C -1.734 174.654 176.300 0.148 0.000 1.142 93 D CA -0.503 53.580 54.000 0.137 0.000 0.726 93 D CB 0.812 41.683 40.800 0.119 0.000 1.436 93 D HN -0.045 nan 8.370 nan 0.000 0.441 94 D N 2.475 122.936 120.400 0.103 0.000 2.468 94 D HA 0.212 6.514 4.640 2.770 0.000 0.218 94 D C 1.361 177.703 176.300 0.070 0.000 1.155 94 D CA -0.102 53.967 54.000 0.114 0.000 0.924 94 D CB 1.332 42.193 40.800 0.102 0.000 1.029 94 D HN 0.262 nan 8.370 nan 0.000 0.515 95 V N -0.465 119.474 119.914 0.042 0.000 3.572 95 V HA 0.213 5.995 4.120 2.770 0.000 0.260 95 V C 0.809 176.956 176.094 0.088 0.000 1.324 95 V CA -0.399 61.883 62.300 -0.030 0.000 1.068 95 V CB -0.537 31.091 31.823 -0.325 0.000 0.837 95 V HN 0.182 nan 8.190 nan 0.000 0.450 96 F N 4.226 124.163 119.950 -0.021 0.000 2.623 96 F HA 0.230 6.418 4.527 2.770 0.000 0.383 96 F C 0.743 176.487 175.800 -0.092 0.000 1.077 96 F CA -0.213 57.783 58.000 -0.007 0.000 1.268 96 F CB 0.126 39.214 39.000 0.147 0.000 1.053 96 F HN 0.238 nan 8.300 nan 0.000 0.571 97 N N 5.218 123.272 118.700 -1.076 0.000 3.050 97 N HA -0.021 6.381 4.740 2.770 0.000 0.289 97 N C 1.095 175.848 175.510 -1.262 0.000 1.209 97 N CA 0.280 52.516 53.050 -1.357 0.000 1.154 97 N CB -0.325 36.897 38.487 -2.108 0.000 1.444 97 N HN 0.875 nan 8.380 nan 0.000 0.529 98 E N 1.782 121.419 120.200 -0.938 0.000 2.085 98 E HA -0.211 5.801 4.350 2.770 0.000 0.194 98 E C 1.031 177.489 176.600 -0.236 0.000 0.994 98 E CA 1.160 57.279 56.400 -0.469 0.000 0.801 98 E CB 0.263 29.923 29.700 -0.067 0.000 0.743 98 E HN 0.481 nan 8.360 nan 0.000 0.453 99 K N -0.437 119.812 120.400 -0.252 0.000 2.057 99 K HA -0.109 5.874 4.320 2.770 0.000 0.207 99 K C 2.169 178.694 176.600 -0.124 0.000 1.049 99 K CA 1.087 57.296 56.287 -0.129 0.000 0.931 99 K CB -0.301 32.131 32.500 -0.113 0.000 0.714 99 K HN 0.214 nan 8.250 nan 0.000 0.440 100 G N 0.419 108.999 108.800 -0.367 0.000 2.421 100 G HA2 -0.244 5.378 3.960 2.770 0.000 0.216 100 G HA3 -0.244 5.378 3.960 2.770 0.000 0.216 100 G C 1.119 175.961 174.900 -0.097 0.000 1.171 100 G CA 0.676 45.569 45.100 -0.344 0.000 0.775 100 G HN 0.363 nan 8.290 nan 0.000 0.543 101 W N 0.573 121.755 121.300 -0.198 0.000 2.381 101 W HA 0.017 6.339 4.660 2.770 0.000 0.301 101 W C 2.597 179.153 176.519 0.062 0.000 1.205 101 W CA 0.785 58.113 57.345 -0.029 0.000 1.285 101 W CB -0.171 29.215 29.460 -0.123 0.000 1.133 101 W HN 0.186 nan 8.180 nan 0.000 0.521 102 N N -0.712 118.132 118.700 0.240 0.000 2.166 102 N HA -0.281 6.121 4.740 2.770 0.000 0.186 102 N C 1.561 177.179 175.510 0.180 0.000 1.019 102 N CA 1.539 54.699 53.050 0.183 0.000 0.856 102 N CB -0.603 37.957 38.487 0.121 0.000 0.993 102 N HN 0.181 nan 8.380 nan 0.000 0.426 103 Y N 0.877 121.227 120.300 0.083 0.000 2.128 103 Y HA -0.165 6.047 4.550 2.770 0.000 0.284 103 Y C 1.849 177.835 175.900 0.143 0.000 1.154 103 Y CA 1.612 59.764 58.100 0.086 0.000 1.149 103 Y CB -0.294 38.216 38.460 0.083 0.000 0.976 103 Y HN 0.096 nan 8.280 nan 0.000 0.505 104 I N -0.759 119.959 120.570 0.246 0.000 2.179 104 I HA -0.298 5.534 4.170 2.770 0.000 0.242 104 I C 2.328 178.564 176.117 0.199 0.000 1.088 104 I CA 1.162 62.620 61.300 0.264 0.000 1.357 104 I CB -0.570 37.592 38.000 0.269 0.000 1.051 104 I HN 0.303 nan 8.210 nan 0.000 0.409 105 L N 1.016 122.353 121.223 0.190 0.000 1.997 105 L HA -0.280 5.722 4.340 2.770 0.000 0.216 105 L C 2.356 179.249 176.870 0.038 0.000 1.074 105 L CA 2.072 56.993 54.840 0.135 0.000 0.763 105 L CB -0.643 41.495 42.059 0.131 0.000 0.890 105 L HN 0.234 nan 8.230 nan 0.000 0.434 106 E N -1.295 118.884 120.200 -0.035 0.000 2.158 106 E HA -0.194 5.818 4.350 2.770 0.000 0.191 106 E C 2.072 178.534 176.600 -0.230 0.000 0.982 106 E CA 0.859 57.198 56.400 -0.102 0.000 0.823 106 E CB 0.055 29.704 29.700 -0.086 0.000 0.766 106 E HN 0.282 nan 8.360 nan 0.000 0.468 107 K N -0.457 119.687 120.400 -0.427 0.000 2.262 107 K HA 0.009 5.991 4.320 2.770 0.000 0.200 107 K C 0.410 176.533 176.600 -0.795 0.000 1.049 107 K CA 0.812 56.656 56.287 -0.739 0.000 0.979 107 K CB 0.366 32.099 32.500 -1.279 0.000 0.773 107 K HN 0.108 nan 8.250 nan 0.000 0.474 108 Y N -0.572 119.646 120.300 -0.137 0.000 2.707 108 Y HA 0.180 6.392 4.550 2.771 0.000 0.249 108 Y C -0.402 175.480 175.900 -0.029 0.000 1.166 108 Y CA -0.623 57.431 58.100 -0.078 0.000 1.184 108 Y CB 0.671 39.118 38.460 -0.022 0.000 1.240 108 Y HN 0.032 nan 8.280 nan 0.000 0.547 109 D N 1.236 121.680 120.400 0.073 0.000 2.689 109 D HA -0.199 6.103 4.640 2.770 0.000 0.237 109 D C 1.259 177.735 176.300 0.294 0.000 1.148 109 D CA 1.505 55.571 54.000 0.109 0.000 0.656 109 D CB -1.095 39.717 40.800 0.019 0.000 1.050 109 D HN 0.751 nan 8.370 nan 0.000 0.426 110 G N -0.336 108.629 108.800 0.275 0.000 2.153 110 G HA2 -0.347 5.275 3.960 2.770 0.000 0.252 110 G HA3 -0.347 5.275 3.960 2.770 0.000 0.252 110 G C 0.132 175.208 174.900 0.294 0.000 0.994 110 G CA 0.516 45.782 45.100 0.276 0.000 0.698 110 G HN 0.722 nan 8.290 nan 0.000 0.521 111 H N -0.703 118.459 119.070 0.155 0.000 2.487 111 H HA 0.604 6.822 4.556 2.770 0.000 0.333 111 H C 0.919 176.287 175.328 0.066 0.000 1.114 111 H CA -0.625 55.490 56.048 0.112 0.000 1.310 111 H CB 0.927 30.729 29.762 0.067 0.000 1.462 111 H HN 0.204 nan 8.280 nan 0.000 0.516 112 L N 5.186 126.521 121.223 0.186 0.000 2.313 112 L HA 0.228 6.230 4.340 2.770 0.000 0.282 112 L C -1.905 174.959 176.870 -0.009 0.000 1.092 112 L CA -1.854 53.054 54.840 0.114 0.000 0.831 112 L CB 0.691 42.878 42.059 0.213 0.000 1.159 112 L HN 0.487 nan 8.230 nan 0.000 0.442 113 P HA 0.244 nan 4.420 nan 0.000 0.231 113 P C -0.718 176.491 177.300 -0.152 0.000 1.811 113 P CA 0.201 63.085 63.100 -0.359 0.000 1.051 113 P CB -0.033 31.282 31.700 -0.641 0.000 1.951 114 I N 0.976 121.559 120.570 0.021 0.000 2.619 114 I HA 0.347 6.179 4.170 2.770 0.000 0.292 114 I C 0.046 176.293 176.117 0.217 0.000 1.100 114 I CA -0.806 60.557 61.300 0.105 0.000 1.043 114 I CB 3.056 41.133 38.000 0.127 0.000 1.239 114 I HN 0.126 nan 8.210 nan 0.000 0.420 115 E N 6.183 126.482 120.200 0.164 0.000 2.171 115 E HA 0.650 6.662 4.350 2.770 0.000 0.271 115 E C -1.518 175.195 176.600 0.189 0.000 0.916 115 E CA -0.552 55.963 56.400 0.191 0.000 0.774 115 E CB 1.945 31.719 29.700 0.123 0.000 1.128 115 E HN 0.454 nan 8.360 nan 0.000 0.403 116 I N 4.104 124.812 120.570 0.230 0.000 2.436 116 I HA 0.352 6.184 4.170 2.770 0.000 0.289 116 I C -0.471 175.749 176.117 0.171 0.000 1.010 116 I CA -0.768 60.643 61.300 0.185 0.000 1.098 116 I CB 1.777 39.858 38.000 0.135 0.000 1.266 116 I HN 0.311 nan 8.210 nan 0.000 0.434 117 K N 5.026 125.516 120.400 0.150 0.000 2.259 117 K HA 0.907 6.889 4.320 2.770 0.000 0.252 117 K C -0.986 175.692 176.600 0.130 0.000 0.936 117 K CA -0.711 55.650 56.287 0.123 0.000 0.810 117 K CB 2.673 35.218 32.500 0.075 0.000 1.143 117 K HN 0.679 nan 8.250 nan 0.000 0.427 118 A N 1.446 124.326 122.820 0.099 0.000 2.572 118 A HA 0.416 6.398 4.320 2.770 0.000 0.295 118 A C -1.163 176.381 177.584 -0.066 0.000 1.072 118 A CA -0.720 51.335 52.037 0.031 0.000 0.691 118 A CB 1.557 20.639 19.000 0.136 0.000 1.291 118 A HN 0.468 nan 8.150 nan 0.000 0.404 119 V N 2.308 122.051 119.914 -0.284 0.000 2.740 119 V HA 0.306 6.088 4.120 2.770 0.000 0.303 119 V C -2.108 173.820 176.094 -0.277 0.000 1.054 119 V CA -1.197 60.906 62.300 -0.329 0.000 1.106 119 V CB 0.916 32.519 31.823 -0.366 0.000 0.957 119 V HN 0.783 nan 8.190 nan 0.000 0.486 120 P HA 0.088 nan 4.420 nan 0.000 0.266 120 P C -0.543 176.516 177.300 -0.402 0.000 1.195 120 P CA 0.084 62.736 63.100 -0.747 0.000 0.768 120 P CB 0.293 31.403 31.700 -0.983 0.000 0.838 121 E N 1.349 121.263 120.200 -0.476 0.000 2.392 121 E HA 0.210 6.222 4.350 2.770 0.000 0.264 121 E C 1.299 177.889 176.600 -0.016 0.000 1.024 121 E CA 0.841 57.199 56.400 -0.070 0.000 0.903 121 E CB 0.042 29.724 29.700 -0.030 0.000 0.963 121 E HN 0.789 nan 8.360 nan 0.000 0.432 122 G N 2.593 111.440 108.800 0.078 0.000 2.268 122 G HA2 -0.292 5.330 3.960 2.770 0.000 0.240 122 G HA3 -0.292 5.330 3.960 2.770 0.000 0.240 122 G C 0.092 175.096 174.900 0.173 0.000 1.010 122 G CA -0.273 44.851 45.100 0.040 0.000 0.618 122 G HN 0.436 nan 8.290 nan 0.000 0.516 123 F N 1.287 121.237 119.950 0.000 0.000 2.623 123 F HA 0.404 6.594 4.527 2.772 0.000 0.383 123 F C 1.070 176.864 175.800 -0.011 0.000 1.077 123 F CA -0.150 57.851 58.000 0.002 0.000 1.268 123 F CB 1.037 40.033 39.000 -0.006 0.000 1.053 123 F HN 0.017 nan 8.300 nan 0.000 0.571 124 V N 6.375 126.280 119.914 -0.014 0.000 2.350 124 V HA 0.351 6.133 4.120 2.770 0.000 0.276 124 V C 0.069 176.073 176.094 -0.149 0.000 1.028 124 V CA -0.566 61.714 62.300 -0.034 0.000 0.860 124 V CB 1.023 32.822 31.823 -0.040 0.000 0.990 124 V HN 0.342 nan 8.190 nan 0.000 0.453 125 I N 6.527 127.002 120.570 -0.158 0.000 2.498 125 I HA 0.474 6.306 4.170 2.770 0.000 0.290 125 I C -2.555 173.473 176.117 -0.148 0.000 1.032 125 I CA -2.587 58.487 61.300 -0.377 0.000 1.073 125 I CB 2.113 39.901 38.000 -0.353 0.000 1.251 125 I HN 0.342 nan 8.210 nan 0.000 0.426 126 P HA 0.086 nan 4.420 nan 0.000 0.268 126 P C -0.065 177.249 177.300 0.022 0.000 1.208 126 P CA -0.311 62.803 63.100 0.023 0.000 0.777 126 P CB 0.410 32.165 31.700 0.091 0.000 0.875 127 R N 1.542 122.071 120.500 0.050 0.000 2.697 127 R HA 0.190 6.192 4.340 2.770 0.000 0.265 127 R C 1.384 177.707 176.300 0.039 0.000 1.009 127 R CA 1.238 57.368 56.100 0.050 0.000 1.099 127 R CB -1.126 29.211 30.300 0.061 0.000 0.965 127 R HN 0.924 nan 8.270 nan 0.000 0.428 128 G N 1.744 110.563 108.800 0.032 0.000 2.149 128 G HA2 -0.297 5.325 3.960 2.770 0.000 0.235 128 G HA3 -0.297 5.325 3.960 2.770 0.000 0.235 128 G C -0.263 174.655 174.900 0.030 0.000 1.018 128 G CA 0.269 45.388 45.100 0.031 0.000 0.728 128 G HN 0.648 nan 8.290 nan 0.000 0.508 129 N N -1.553 117.162 118.700 0.025 0.000 2.292 129 N HA 0.567 6.969 4.740 2.770 0.000 0.303 129 N C -0.064 175.458 175.510 0.020 0.000 1.140 129 N CA -0.543 52.512 53.050 0.008 0.000 0.788 129 N CB 2.684 41.161 38.487 -0.015 0.000 1.361 129 N HN 0.285 nan 8.380 nan 0.000 0.489 130 V N 2.900 122.812 119.914 -0.004 0.000 2.585 130 V HA 0.093 5.876 4.120 2.770 0.000 0.296 130 V C 0.371 176.444 176.094 -0.034 0.000 1.035 130 V CA 0.640 62.956 62.300 0.027 0.000 1.084 130 V CB -0.032 31.762 31.823 -0.048 0.000 0.953 130 V HN 0.635 nan 8.190 nan 0.000 0.483 131 L N 6.402 127.609 121.223 -0.026 0.000 2.547 131 L HA 0.428 6.430 4.340 2.770 0.000 0.218 131 L C 0.110 176.858 176.870 -0.203 0.000 1.048 131 L CA 0.222 54.947 54.840 -0.192 0.000 0.859 131 L CB 0.184 42.215 42.059 -0.047 0.000 1.128 131 L HN 0.757 nan 8.230 nan 0.000 0.483 132 F N -1.424 118.479 119.950 -0.079 0.000 2.668 132 F HA 0.656 6.844 4.527 2.769 0.000 0.309 132 F C -0.657 175.153 175.800 0.016 0.000 1.117 132 F CA -0.990 56.975 58.000 -0.057 0.000 0.951 132 F CB 1.134 40.121 39.000 -0.021 0.000 1.323 132 F HN -0.188 nan 8.300 nan 0.000 0.451 133 T N -0.172 114.466 114.554 0.140 0.000 2.908 133 T HA 0.840 6.852 4.350 2.770 0.000 0.290 133 T C -1.483 173.230 174.700 0.020 0.000 1.034 133 T CA -0.854 61.190 62.100 -0.094 0.000 1.010 133 T CB 1.716 70.401 68.868 -0.306 0.000 1.068 133 T HN 0.804 nan 8.240 nan 0.000 0.481 134 V N 2.639 122.482 119.914 -0.119 0.000 2.638 134 V HA 0.700 6.482 4.120 2.770 0.000 0.306 134 V C -0.462 175.595 176.094 -0.062 0.000 1.052 134 V CA -0.783 61.541 62.300 0.041 0.000 0.885 134 V CB 1.398 33.392 31.823 0.285 0.000 0.999 134 V HN 1.149 nan 8.190 nan 0.000 0.424 135 E N 3.575 123.796 120.200 0.035 0.000 2.383 135 E HA 0.439 6.451 4.350 2.770 0.000 0.275 135 E C -1.380 175.258 176.600 0.063 0.000 0.918 135 E CA -0.997 55.458 56.400 0.092 0.000 0.764 135 E CB 2.161 31.992 29.700 0.219 0.000 1.252 135 E HN 0.624 nan 8.360 nan 0.000 0.449 136 N N 1.152 119.867 118.700 0.025 0.000 2.530 136 N HA 0.007 6.410 4.740 2.770 0.000 0.273 136 N C 0.482 175.991 175.510 -0.001 0.000 1.173 136 N CA 0.141 53.163 53.050 -0.047 0.000 0.967 136 N CB 1.367 39.775 38.487 -0.132 0.000 1.109 136 N HN 0.683 nan 8.380 nan 0.000 0.453 137 T N -3.571 110.964 114.554 -0.033 0.000 3.069 137 T HA 0.055 6.067 4.350 2.770 0.000 0.252 137 T C -0.077 174.636 174.700 0.021 0.000 1.053 137 T CA -0.137 61.964 62.100 0.001 0.000 0.964 137 T CB 0.063 68.920 68.868 -0.018 0.000 1.005 137 T HN 0.578 nan 8.240 nan 0.000 0.532 138 D N 1.393 121.801 120.400 0.012 0.000 2.649 138 D HA 0.320 6.622 4.640 2.770 0.000 0.249 138 D C -2.099 174.241 176.300 0.067 0.000 1.112 138 D CA -2.352 51.709 54.000 0.101 0.000 0.850 138 D CB 2.867 43.805 40.800 0.230 0.000 1.399 138 D HN -0.186 nan 8.370 nan 0.000 0.503 139 P HA -0.120 nan 4.420 nan 0.000 0.219 139 P C 0.908 178.268 177.300 0.100 0.000 1.146 139 P CA 0.765 63.905 63.100 0.066 0.000 0.808 139 P CB 0.644 32.370 31.700 0.044 0.000 0.779 140 E N -0.775 119.450 120.200 0.043 0.000 2.268 140 E HA -0.094 5.918 4.350 2.770 0.000 0.195 140 E C 0.832 177.462 176.600 0.050 0.000 0.995 140 E CA 0.653 57.039 56.400 -0.024 0.000 0.836 140 E CB -0.955 28.447 29.700 -0.498 0.000 0.763 140 E HN 0.187 nan 8.360 nan 0.000 0.491 141 C N 1.042 120.278 119.300 -0.108 0.000 2.492 141 C HA 0.174 6.296 4.460 2.770 0.000 0.317 141 C C 1.540 176.082 174.990 -0.746 0.000 1.347 141 C CA -0.736 57.924 59.018 -0.596 0.000 1.759 141 C CB -2.066 25.386 27.740 -0.481 0.000 2.127 141 C HN 0.549 nan 8.230 nan 0.000 0.579 142 Y N 0.303 120.397 120.300 -0.343 0.000 2.193 142 Y HA -0.230 5.982 4.550 2.770 0.000 0.285 142 Y C 2.230 177.943 175.900 -0.311 0.000 1.166 142 Y CA 1.787 59.729 58.100 -0.264 0.000 1.181 142 Y CB -0.985 37.379 38.460 -0.161 0.000 0.976 142 Y HN 0.617 nan 8.280 nan 0.000 0.520 143 W N 0.630 121.333 121.300 -0.996 0.000 2.699 143 W HA 0.040 6.362 4.660 2.770 0.000 0.249 143 W C 1.432 177.868 176.519 -0.139 0.000 1.280 143 W CA 0.214 57.244 57.345 -0.525 0.000 1.345 143 W CB -0.920 28.193 29.460 -0.578 0.000 1.128 143 W HN 0.258 nan 8.180 nan 0.000 0.642 144 L N 1.449 122.051 121.223 -1.036 0.000 2.240 144 L HA -0.109 5.894 4.340 2.770 0.000 0.211 144 L C 2.430 179.202 176.870 -0.162 0.000 1.106 144 L CA 1.475 55.812 54.840 -0.838 0.000 0.793 144 L CB -0.539 40.801 42.059 -1.199 0.000 0.927 144 L HN -0.122 nan 8.230 nan 0.000 0.446 145 T N 0.187 114.677 114.554 -0.107 0.000 2.665 145 T HA -0.202 5.810 4.350 2.770 0.000 0.268 145 T C 1.400 176.265 174.700 0.274 0.000 1.035 145 T CA 1.995 64.152 62.100 0.095 0.000 1.151 145 T CB -0.184 68.740 68.868 0.092 0.000 0.862 145 T HN 0.322 nan 8.240 nan 0.000 0.438 146 N N -0.345 118.543 118.700 0.314 0.000 2.373 146 N HA 0.086 6.488 4.740 2.770 0.000 0.181 146 N C 1.176 176.867 175.510 0.301 0.000 1.082 146 N CA -0.090 53.184 53.050 0.374 0.000 0.885 146 N CB -0.122 38.641 38.487 0.460 0.000 0.977 146 N HN 0.425 nan 8.380 nan 0.000 0.462 147 W N 2.013 123.430 121.300 0.195 0.000 2.304 147 W HA -0.167 6.155 4.660 2.770 0.000 0.315 147 W C 1.046 177.641 176.519 0.127 0.000 1.233 147 W CA 1.312 58.786 57.345 0.215 0.000 1.261 147 W CB -0.140 29.529 29.460 0.348 0.000 1.150 147 W HN 0.091 nan 8.180 nan 0.000 0.494 148 I N -1.516 119.257 120.570 0.338 0.000 3.875 148 I HA 0.095 5.927 4.170 2.770 0.000 0.329 148 I C 1.816 177.892 176.117 -0.067 0.000 1.295 148 I CA 0.498 61.911 61.300 0.189 0.000 1.129 148 I CB -0.568 37.538 38.000 0.175 0.000 1.008 148 I HN -0.056 nan 8.210 nan 0.000 0.413 149 E N 2.208 122.271 120.200 -0.228 0.000 2.049 149 E HA -0.241 5.771 4.350 2.770 0.000 0.198 149 E C 1.774 178.163 176.600 -0.351 0.000 1.007 149 E CA 2.729 58.705 56.400 -0.706 0.000 0.809 149 E CB -0.068 29.260 29.700 -0.619 0.000 0.749 149 E HN 0.579 nan 8.360 nan 0.000 0.450 150 T N 1.411 115.868 114.554 -0.162 0.000 2.635 150 T HA -0.208 5.804 4.350 2.770 0.000 0.267 150 T C 1.956 176.642 174.700 -0.024 0.000 1.040 150 T CA 1.575 63.638 62.100 -0.061 0.000 1.156 150 T CB -0.349 68.488 68.868 -0.053 0.000 0.863 150 T HN 0.262 nan 8.240 nan 0.000 0.430 151 I N 0.249 120.798 120.570 -0.035 0.000 2.315 151 I HA -0.055 5.777 4.170 2.770 0.000 0.248 151 I C 2.041 178.143 176.117 -0.025 0.000 1.117 151 I CA 1.066 62.345 61.300 -0.035 0.000 1.404 151 I CB -0.039 37.942 38.000 -0.032 0.000 1.071 151 I HN 0.203 nan 8.210 nan 0.000 0.419 152 L N -0.592 120.607 121.223 -0.039 0.000 2.093 152 L HA -0.160 5.842 4.340 2.770 0.000 0.208 152 L C 2.432 179.371 176.870 0.116 0.000 1.085 152 L CA 0.735 55.574 54.840 -0.001 0.000 0.755 152 L CB -0.525 41.579 42.059 0.075 0.000 0.904 152 L HN 0.075 nan 8.230 nan 0.000 0.435 153 V N -0.386 119.618 119.914 0.150 0.000 2.594 153 V HA -0.269 5.513 4.120 2.770 0.000 0.253 153 V C 2.333 178.696 176.094 0.448 0.000 1.069 153 V CA 1.352 63.883 62.300 0.384 0.000 1.082 153 V CB -0.540 31.466 31.823 0.306 0.000 0.680 153 V HN 0.516 nan 8.190 nan 0.000 0.469 154 Q N 0.358 120.322 119.800 0.274 0.000 2.368 154 Q HA -0.195 5.807 4.340 2.770 0.000 0.210 154 Q C 2.331 178.325 176.000 -0.009 0.000 0.982 154 Q CA 1.596 57.518 55.803 0.199 0.000 0.884 154 Q CB -0.298 28.492 28.738 0.088 0.000 0.933 154 Q HN 0.851 nan 8.270 nan 0.000 0.460 155 S N 0.575 116.280 115.700 0.009 0.000 2.469 155 S HA -0.158 5.974 4.470 2.770 0.000 0.238 155 S C 1.576 176.167 174.600 -0.015 0.000 0.998 155 S CA 0.653 58.784 58.200 -0.116 0.000 0.957 155 S CB -0.867 62.198 63.200 -0.225 0.000 0.764 155 S HN 0.694 nan 8.310 nan 0.000 0.514 156 W N 1.132 122.557 121.300 0.207 0.000 2.308 156 W HA -0.292 6.028 4.660 2.767 0.000 0.301 156 W C 1.820 178.454 176.519 0.193 0.000 1.220 156 W CA 1.047 58.572 57.345 0.300 0.000 1.240 156 W CB -1.082 28.563 29.460 0.308 0.000 1.142 156 W HN 0.427 nan 8.180 nan 0.000 0.521 157 Y N 3.909 123.525 120.300 -1.139 0.000 2.153 157 Y HA -0.017 6.197 4.550 2.772 0.000 0.289 157 Y C -0.117 175.460 175.900 -0.540 0.000 1.119 157 Y CA 1.870 59.128 58.100 -1.403 0.000 1.116 157 Y CB -1.800 35.667 38.460 -1.654 0.000 1.004 157 Y HN -0.261 nan 8.280 nan 0.000 0.501 158 P HA -0.166 nan 4.420 nan 0.000 0.218 158 P C 1.742 178.925 177.300 -0.195 0.000 1.149 158 P CA 1.820 64.683 63.100 -0.395 0.000 0.817 158 P CB -0.097 31.401 31.700 -0.336 0.000 0.785 159 I N -0.053 120.431 120.570 -0.143 0.000 2.151 159 I HA -0.245 5.587 4.170 2.770 0.000 0.243 159 I C 2.306 178.434 176.117 0.018 0.000 1.080 159 I CA 2.007 63.314 61.300 0.012 0.000 1.339 159 I CB -1.110 36.992 38.000 0.169 0.000 1.039 159 I HN 0.005 nan 8.210 nan 0.000 0.409 160 T N 0.010 114.559 114.554 -0.008 0.000 2.857 160 T HA -0.082 5.930 4.350 2.770 0.000 0.266 160 T C 1.981 176.637 174.700 -0.073 0.000 1.048 160 T CA 1.024 63.138 62.100 0.024 0.000 1.139 160 T CB -0.188 68.814 68.868 0.222 0.000 0.874 160 T HN 0.090 nan 8.240 nan 0.000 0.455 161 V N 1.890 121.659 119.914 -0.242 0.000 2.295 161 V HA -0.174 5.608 4.120 2.770 0.000 0.246 161 V C 2.929 178.979 176.094 -0.074 0.000 1.049 161 V CA 1.776 63.946 62.300 -0.217 0.000 1.024 161 V CB -1.235 30.326 31.823 -0.436 0.000 0.648 161 V HN 0.520 nan 8.190 nan 0.000 0.447 162 A N -0.289 122.488 122.820 -0.071 0.000 1.908 162 A HA -0.235 5.747 4.320 2.770 0.000 0.218 162 A C 2.396 179.990 177.584 0.017 0.000 1.181 162 A CA 2.598 54.612 52.037 -0.038 0.000 0.627 162 A CB -0.978 17.986 19.000 -0.061 0.000 0.818 162 A HN 0.521 nan 8.150 nan 0.000 0.445 163 T N -0.013 114.567 114.554 0.043 0.000 2.701 163 T HA -0.147 5.865 4.350 2.770 0.000 0.263 163 T C 1.954 176.755 174.700 0.169 0.000 1.040 163 T CA 1.659 63.821 62.100 0.102 0.000 1.147 163 T CB -0.446 68.490 68.868 0.113 0.000 0.865 163 T HN 0.661 nan 8.240 nan 0.000 0.426 164 N N 0.729 119.522 118.700 0.155 0.000 2.166 164 N HA -0.086 6.316 4.740 2.770 0.000 0.186 164 N C 1.998 177.626 175.510 0.198 0.000 1.019 164 N CA 1.445 54.642 53.050 0.244 0.000 0.856 164 N CB -0.338 38.241 38.487 0.153 0.000 0.993 164 N HN 0.227 nan 8.380 nan 0.000 0.426 165 S N -0.148 115.654 115.700 0.169 0.000 2.368 165 S HA -0.096 6.036 4.470 2.770 0.000 0.224 165 S C 2.014 176.786 174.600 0.288 0.000 1.029 165 S CA 0.996 59.353 58.200 0.262 0.000 0.988 165 S CB -0.335 63.063 63.200 0.329 0.000 0.838 165 S HN 0.403 nan 8.310 nan 0.000 0.462 166 R N 0.525 121.113 120.500 0.147 0.000 2.081 166 R HA -0.054 5.948 4.340 2.770 0.000 0.235 166 R C 2.162 178.512 176.300 0.083 0.000 1.131 166 R CA 1.624 57.760 56.100 0.061 0.000 0.960 166 R CB -0.208 30.094 30.300 0.004 0.000 0.856 166 R HN 0.345 nan 8.270 nan 0.000 0.436 167 E N 0.660 120.929 120.200 0.116 0.000 2.110 167 E HA -0.225 5.787 4.350 2.770 0.000 0.193 167 E C 1.981 178.625 176.600 0.073 0.000 0.988 167 E CA 1.339 57.785 56.400 0.076 0.000 0.804 167 E CB -0.095 29.646 29.700 0.068 0.000 0.745 167 E HN 0.546 nan 8.360 nan 0.000 0.458 168 Q N 0.281 120.154 119.800 0.122 0.000 2.119 168 Q HA -0.083 5.919 4.340 2.770 0.000 0.201 168 Q C 2.182 178.289 176.000 0.179 0.000 0.972 168 Q CA 0.966 56.831 55.803 0.104 0.000 0.847 168 Q CB -0.064 28.721 28.738 0.077 0.000 0.903 168 Q HN 0.104 nan 8.270 nan 0.000 0.433 169 K N 1.177 121.747 120.400 0.284 0.000 2.147 169 K HA -0.170 5.812 4.320 2.770 0.000 0.205 169 K C 1.715 178.365 176.600 0.083 0.000 1.049 169 K CA 1.130 57.553 56.287 0.228 0.000 0.936 169 K CB 0.172 32.630 32.500 -0.070 0.000 0.722 169 K HN 0.049 nan 8.250 nan 0.000 0.446 170 K N 0.327 120.759 120.400 0.054 0.000 2.057 170 K HA -0.097 5.886 4.320 2.770 0.000 0.206 170 K C 2.131 178.771 176.600 0.066 0.000 1.050 170 K CA 1.389 57.695 56.287 0.031 0.000 0.935 170 K CB -0.129 32.379 32.500 0.014 0.000 0.715 170 K HN 0.137 nan 8.250 nan 0.000 0.439 171 I N 1.386 122.008 120.570 0.087 0.000 2.127 171 I HA -0.322 5.510 4.170 2.770 0.000 0.241 171 I C 2.284 178.527 176.117 0.210 0.000 1.075 171 I CA 1.298 62.686 61.300 0.147 0.000 1.334 171 I CB -0.333 37.702 38.000 0.060 0.000 1.040 171 I HN 0.104 nan 8.210 nan 0.000 0.405 172 L N 0.483 121.792 121.223 0.143 0.000 1.990 172 L HA -0.300 5.702 4.340 2.770 0.000 0.213 172 L C 2.877 179.846 176.870 0.165 0.000 1.072 172 L CA 1.702 56.645 54.840 0.171 0.000 0.755 172 L CB -0.892 41.297 42.059 0.215 0.000 0.889 172 L HN 0.300 nan 8.230 nan 0.000 0.432 173 A N -0.147 122.740 122.820 0.111 0.000 1.892 173 A HA -0.298 5.684 4.320 2.770 0.000 0.218 173 A C 2.416 180.025 177.584 0.043 0.000 1.188 173 A CA 2.299 54.370 52.037 0.057 0.000 0.631 173 A CB -0.595 18.412 19.000 0.011 0.000 0.822 173 A HN 0.389 nan 8.150 nan 0.000 0.447 174 K N -1.643 118.784 120.400 0.045 0.000 2.009 174 K HA -0.199 5.783 4.320 2.770 0.000 0.210 174 K C 1.898 178.430 176.600 -0.113 0.000 1.049 174 K CA 1.991 58.245 56.287 -0.055 0.000 0.929 174 K CB -0.378 32.071 32.500 -0.086 0.000 0.714 174 K HN 0.534 nan 8.250 nan 0.000 0.440 175 Y N 0.513 120.807 120.300 -0.011 0.000 2.314 175 Y HA -0.158 4.389 4.550 -0.006 0.000 0.293 175 Y C 2.099 177.969 175.900 -0.049 0.000 1.129 175 Y CA 0.595 58.679 58.100 -0.027 0.000 1.201 175 Y CB -0.150 38.312 38.460 0.003 0.000 0.999 175 Y HN 0.101 nan 8.280 nan 0.000 0.541 176 L N -0.645 120.651 121.223 0.122 0.000 2.017 176 L HA -0.186 5.816 4.340 2.770 0.000 0.208 176 L C 2.159 179.026 176.870 -0.005 0.000 1.073 176 L CA 1.385 56.260 54.840 0.058 0.000 0.745 176 L CB -1.047 41.060 42.059 0.081 0.000 0.894 176 L HN 0.190 nan 8.230 nan 0.000 0.432 177 L N -0.266 120.948 121.223 -0.015 0.000 1.970 177 L HA -0.239 5.763 4.340 2.770 0.000 0.212 177 L C 2.507 179.334 176.870 -0.071 0.000 1.071 177 L CA 1.862 56.679 54.840 -0.038 0.000 0.751 177 L CB -0.784 41.251 42.059 -0.041 0.000 0.889 177 L HN 0.374 nan 8.230 nan 0.000 0.432 178 E N -1.429 118.704 120.200 -0.113 0.000 2.118 178 E HA -0.235 5.777 4.350 2.770 0.000 0.195 178 E C 1.814 178.278 176.600 -0.225 0.000 0.992 178 E CA 1.841 58.153 56.400 -0.147 0.000 0.804 178 E CB -0.184 29.391 29.700 -0.209 0.000 0.741 178 E HN 0.703 nan 8.360 nan 0.000 0.458 179 T N -2.705 111.655 114.554 -0.324 0.000 3.044 179 T HA 0.066 6.078 4.350 2.770 0.000 0.250 179 T C 1.725 176.264 174.700 -0.268 0.000 1.081 179 T CA 0.762 62.464 62.100 -0.663 0.000 1.040 179 T CB 0.415 68.855 68.868 -0.714 0.000 0.962 179 T HN 0.120 nan 8.240 nan 0.000 0.506 180 S N -0.579 115.058 115.700 -0.105 0.000 2.653 180 S HA 0.497 6.629 4.470 2.770 0.000 0.259 180 S C 1.843 176.443 174.600 0.000 0.000 1.076 180 S CA 0.727 58.915 58.200 -0.019 0.000 1.051 180 S CB -0.018 63.180 63.200 -0.003 0.000 0.994 180 S HN 1.242 nan 8.310 nan 0.000 0.552 181 G N 2.384 111.177 108.800 -0.012 0.000 2.176 181 G HA2 -0.233 5.389 3.960 2.770 0.000 0.253 181 G HA3 -0.233 5.389 3.960 2.770 0.000 0.253 181 G C -0.114 174.785 174.900 -0.002 0.000 0.979 181 G CA 0.342 45.441 45.100 -0.003 0.000 0.641 181 G HN 1.070 nan 8.290 nan 0.000 0.530 182 N N -1.779 116.921 118.700 0.000 0.000 3.243 182 N HA 0.560 6.962 4.740 2.770 0.000 0.280 182 N C -0.435 175.081 175.510 0.009 0.000 1.545 182 N CA -0.958 52.094 53.050 0.003 0.000 0.854 182 N CB 0.673 39.164 38.487 0.007 0.000 1.612 182 N HN 0.028 nan 8.380 nan 0.000 0.577 183 L N 0.619 121.849 121.223 0.011 0.000 3.066 183 L HA 0.343 6.345 4.340 2.770 0.000 0.265 183 L C -0.782 176.109 176.870 0.035 0.000 1.232 183 L CA -0.241 54.611 54.840 0.020 0.000 1.031 183 L CB -1.360 40.700 42.059 0.001 0.000 1.379 183 L HN 0.468 nan 8.230 nan 0.000 0.563 184 D N 0.757 121.179 120.400 0.038 0.000 2.493 184 D HA 0.383 6.685 4.640 2.770 0.000 0.240 184 D C 1.503 177.854 176.300 0.084 0.000 1.142 184 D CA 1.271 55.302 54.000 0.052 0.000 0.872 184 D CB 0.695 41.518 40.800 0.038 0.000 1.173 184 D HN 0.339 nan 8.370 nan 0.000 0.467 185 G N 1.618 110.495 108.800 0.128 0.000 2.184 185 G HA2 -0.356 5.266 3.960 2.770 0.000 0.264 185 G HA3 -0.356 5.266 3.960 2.770 0.000 0.264 185 G C 1.029 176.065 174.900 0.227 0.000 0.975 185 G CA 0.512 45.739 45.100 0.213 0.000 0.642 185 G HN 0.516 nan 8.290 nan 0.000 0.536 186 L N 1.207 122.516 121.223 0.143 0.000 2.013 186 L HA -0.037 5.965 4.340 2.770 0.000 0.212 186 L C 2.491 179.452 176.870 0.151 0.000 1.073 186 L CA 3.046 57.966 54.840 0.133 0.000 0.753 186 L CB -0.385 41.696 42.059 0.037 0.000 0.890 186 L HN 0.449 nan 8.230 nan 0.000 0.432 187 E N -1.459 118.734 120.200 -0.011 0.000 2.463 187 E HA -0.215 5.797 4.350 2.770 0.000 0.201 187 E C 1.040 177.559 176.600 -0.134 0.000 1.045 187 E CA 1.035 57.329 56.400 -0.178 0.000 0.872 187 E CB -0.220 29.258 29.700 -0.370 0.000 0.797 187 E HN 0.687 nan 8.360 nan 0.000 0.538 188 Y N -0.438 120.032 120.300 0.284 0.000 2.557 188 Y HA 0.185 6.396 4.550 2.768 0.000 0.247 188 Y C 1.840 177.890 175.900 0.250 0.000 1.164 188 Y CA -0.311 57.943 58.100 0.255 0.000 1.218 188 Y CB 0.711 39.270 38.460 0.166 0.000 1.210 188 Y HN -0.177 nan 8.280 nan 0.000 0.529 189 K N 0.362 120.998 120.400 0.394 0.000 2.365 189 K HA 0.162 6.144 4.320 2.770 0.000 0.197 189 K C 0.060 176.793 176.600 0.223 0.000 1.042 189 K CA 0.571 57.047 56.287 0.313 0.000 0.987 189 K CB 0.654 33.365 32.500 0.351 0.000 0.779 189 K HN 0.204 nan 8.250 nan 0.000 0.484 190 L N 1.341 122.528 121.223 -0.061 0.000 2.377 190 L HA 0.242 6.244 4.340 2.770 0.000 0.270 190 L C -1.355 175.433 176.870 -0.137 0.000 0.991 190 L CA -0.596 54.079 54.840 -0.274 0.000 0.851 190 L CB 1.273 42.779 42.059 -0.921 0.000 1.218 190 L HN 0.072 nan 8.230 nan 0.000 0.420 191 H N 2.396 121.456 119.070 -0.017 0.000 2.467 191 H HA 0.187 6.404 4.556 2.768 0.000 0.326 191 H C -0.597 174.593 175.328 -0.230 0.000 1.094 191 H CA -0.384 55.633 56.048 -0.052 0.000 1.253 191 H CB 1.546 31.320 29.762 0.020 0.000 1.439 191 H HN 0.491 nan 8.280 nan 0.000 0.479 192 D N 4.207 124.301 120.400 -0.510 0.000 2.344 192 D HA -0.017 6.285 4.640 2.770 0.000 0.253 192 D C -0.642 175.428 176.300 -0.383 0.000 1.255 192 D CA 0.164 53.887 54.000 -0.462 0.000 0.894 192 D CB -0.138 40.391 40.800 -0.452 0.000 1.067 192 D HN 0.448 nan 8.370 nan 0.000 0.492 193 F N 1.609 121.579 119.950 0.033 0.000 2.772 193 F HA 0.330 6.516 4.527 2.766 0.000 0.302 193 F C 1.990 177.829 175.800 0.065 0.000 1.136 193 F CA -0.564 57.487 58.000 0.086 0.000 1.322 193 F CB 1.034 40.080 39.000 0.077 0.000 0.967 193 F HN 0.515 nan 8.300 nan 0.000 0.513 194 G N -1.211 107.663 108.800 0.124 0.000 2.985 194 G HA2 -0.192 5.430 3.960 2.770 0.000 0.209 194 G HA3 -0.192 5.430 3.960 2.770 0.000 0.209 194 G C 1.389 176.386 174.900 0.162 0.000 1.165 194 G CA 0.112 45.280 45.100 0.113 0.000 0.776 194 G HN 0.263 nan 8.290 nan 0.000 0.541 195 Y N 2.789 123.118 120.300 0.048 0.000 2.040 195 Y HA -0.296 5.916 4.550 2.770 0.000 0.275 195 Y C 2.854 178.779 175.900 0.040 0.000 1.171 195 Y CA 2.033 60.154 58.100 0.036 0.000 1.123 195 Y CB -0.270 38.213 38.460 0.039 0.000 0.963 195 Y HN 0.418 nan 8.280 nan 0.000 0.493 196 R N -0.824 119.813 120.500 0.228 0.000 2.235 196 R HA 0.044 6.046 4.340 2.770 0.000 0.213 196 R C 1.934 178.293 176.300 0.098 0.000 1.059 196 R CA 1.293 57.453 56.100 0.100 0.000 0.997 196 R CB -0.865 29.467 30.300 0.053 0.000 0.884 196 R HN 0.355 nan 8.270 nan 0.000 0.462 197 G N 1.597 110.467 108.800 0.116 0.000 3.088 197 G HA2 0.198 5.820 3.960 2.770 0.000 0.217 197 G HA3 0.198 5.820 3.960 2.770 0.000 0.217 197 G C 0.509 175.459 174.900 0.083 0.000 1.159 197 G CA 0.199 45.352 45.100 0.088 0.000 0.760 197 G HN 0.196 nan 8.290 nan 0.000 0.550 198 V N -1.694 118.277 119.914 0.096 0.000 3.234 198 V HA 0.621 6.403 4.120 2.770 0.000 0.317 198 V C 1.363 177.486 176.094 0.049 0.000 1.081 198 V CA 0.234 62.575 62.300 0.069 0.000 1.037 198 V CB 1.286 33.148 31.823 0.065 0.000 1.148 198 V HN 0.108 nan 8.190 nan 0.000 0.453 199 S N -0.340 115.366 115.700 0.010 0.000 2.501 199 S HA 0.237 6.369 4.470 2.770 0.000 0.220 199 S C 0.737 175.345 174.600 0.012 0.000 0.997 199 S CA 0.377 58.580 58.200 0.005 0.000 0.919 199 S CB -0.627 62.562 63.200 -0.019 0.000 0.778 199 S HN 1.755 nan 8.310 nan 0.000 0.523 200 S N -0.980 114.733 115.700 0.020 0.000 2.615 200 S HA 0.389 6.521 4.470 2.770 0.000 0.268 200 S C 0.038 174.684 174.600 0.078 0.000 1.146 200 S CA -0.869 57.356 58.200 0.041 0.000 0.818 200 S CB 0.894 64.106 63.200 0.020 0.000 1.111 200 S HN -0.100 nan 8.310 nan 0.000 0.465 201 Q N 1.120 120.981 119.800 0.102 0.000 2.077 201 Q HA -0.180 5.822 4.340 2.770 0.000 0.206 201 Q C 1.802 177.844 176.000 0.071 0.000 0.989 201 Q CA 2.333 58.222 55.803 0.144 0.000 0.853 201 Q CB -0.581 28.236 28.738 0.130 0.000 0.907 201 Q HN 0.919 nan 8.270 nan 0.000 0.418 202 E N -0.235 119.994 120.200 0.049 0.000 2.051 202 E HA -0.145 5.867 4.350 2.770 0.000 0.192 202 E C 1.850 178.435 176.600 -0.026 0.000 0.991 202 E CA 1.526 57.945 56.400 0.031 0.000 0.799 202 E CB 0.168 29.909 29.700 0.068 0.000 0.748 202 E HN 0.290 nan 8.360 nan 0.000 0.449 203 T N 0.815 115.340 114.554 -0.049 0.000 2.699 203 T HA -0.229 5.783 4.350 2.770 0.000 0.268 203 T C 1.799 176.481 174.700 -0.030 0.000 1.036 203 T CA 1.379 63.417 62.100 -0.103 0.000 1.147 203 T CB -0.373 68.380 68.868 -0.192 0.000 0.862 203 T HN 0.354 nan 8.240 nan 0.000 0.446 204 A N 1.379 124.175 122.820 -0.040 0.000 1.873 204 A HA 0.007 5.989 4.320 2.770 0.000 0.218 204 A C 2.647 180.112 177.584 -0.198 0.000 1.193 204 A CA 2.120 54.082 52.037 -0.124 0.000 0.629 204 A CB -1.452 17.428 19.000 -0.201 0.000 0.826 204 A HN 0.528 nan 8.150 nan 0.000 0.447 205 G N -0.270 108.421 108.800 -0.182 0.000 2.404 205 G HA2 -0.152 5.470 3.960 2.770 0.000 0.215 205 G HA3 -0.152 5.470 3.960 2.770 0.000 0.215 205 G C 1.542 176.328 174.900 -0.191 0.000 1.174 205 G CA 1.092 46.078 45.100 -0.189 0.000 0.780 205 G HN 0.485 nan 8.290 nan 0.000 0.537 206 I N 1.312 121.761 120.570 -0.202 0.000 2.163 206 I HA -0.108 5.724 4.170 2.770 0.000 0.243 206 I C 3.080 179.145 176.117 -0.087 0.000 1.085 206 I CA 1.181 62.340 61.300 -0.235 0.000 1.347 206 I CB -0.492 37.379 38.000 -0.215 0.000 1.044 206 I HN 0.240 nan 8.210 nan 0.000 0.408 207 G N 0.329 109.145 108.800 0.027 0.000 2.404 207 G HA2 -0.211 5.411 3.960 2.770 0.000 0.215 207 G HA3 -0.211 5.411 3.960 2.770 0.000 0.215 207 G C 1.884 176.737 174.900 -0.078 0.000 1.174 207 G CA 0.799 45.879 45.100 -0.033 0.000 0.780 207 G HN 0.488 nan 8.290 nan 0.000 0.537 208 A N 1.367 124.126 122.820 -0.102 0.000 1.908 208 A HA -0.107 5.875 4.320 2.770 0.000 0.218 208 A C 2.769 180.291 177.584 -0.103 0.000 1.181 208 A CA 2.914 54.879 52.037 -0.120 0.000 0.627 208 A CB -0.880 17.999 19.000 -0.201 0.000 0.818 208 A HN 0.822 nan 8.150 nan 0.000 0.445 209 S N 0.039 115.663 115.700 -0.128 0.000 2.383 209 S HA 0.056 6.188 4.470 2.770 0.000 0.227 209 S C 2.083 176.619 174.600 -0.107 0.000 1.026 209 S CA 1.366 59.471 58.200 -0.158 0.000 0.981 209 S CB -0.661 62.464 63.200 -0.125 0.000 0.818 209 S HN 0.936 nan 8.310 nan 0.000 0.472 210 A N 1.708 124.508 122.820 -0.034 0.000 1.898 210 A HA -0.101 5.881 4.320 2.770 0.000 0.216 210 A C 2.105 179.613 177.584 -0.126 0.000 1.181 210 A CA 1.851 53.808 52.037 -0.133 0.000 0.620 210 A CB -1.431 17.550 19.000 -0.031 0.000 0.819 210 A HN 0.766 nan 8.150 nan 0.000 0.442 211 H N 0.028 119.018 119.070 -0.133 0.000 2.387 211 H HA 0.000 6.215 4.556 2.765 0.000 0.299 211 H C 1.483 176.798 175.328 -0.021 0.000 1.099 211 H CA 1.784 57.792 56.048 -0.066 0.000 1.315 211 H CB -0.320 29.383 29.762 -0.097 0.000 1.380 211 H HN 0.373 nan 8.280 nan 0.000 0.513 212 L N -0.331 120.820 121.223 -0.120 0.000 2.551 212 L HA -0.062 5.940 4.340 2.770 0.000 0.228 212 L C 2.100 178.948 176.870 -0.036 0.000 1.153 212 L CA 0.074 54.856 54.840 -0.097 0.000 0.851 212 L CB -0.024 41.996 42.059 -0.066 0.000 0.959 212 L HN 0.198 nan 8.230 nan 0.000 0.451 213 V N 0.162 119.954 119.914 -0.202 0.000 2.515 213 V HA -0.211 5.571 4.120 2.770 0.000 0.250 213 V C 1.863 177.708 176.094 -0.414 0.000 1.058 213 V CA 1.691 63.685 62.300 -0.510 0.000 1.064 213 V CB -0.411 31.025 31.823 -0.645 0.000 0.675 213 V HN 0.609 nan 8.190 nan 0.000 0.461 214 N N -1.845 116.640 118.700 -0.358 0.000 2.407 214 N HA 0.177 6.579 4.740 2.770 0.000 0.182 214 N C 0.157 175.202 175.510 -0.775 0.000 1.079 214 N CA 0.417 53.169 53.050 -0.496 0.000 0.882 214 N CB 0.707 38.966 38.487 -0.380 0.000 1.106 214 N HN 0.399 nan 8.380 nan 0.000 0.461 215 F N 0.282 119.945 119.950 -0.479 0.000 2.664 215 F HA 0.436 6.613 4.527 2.749 0.000 0.329 215 F C 1.349 176.900 175.800 -0.416 0.000 1.090 215 F CA -0.851 56.869 58.000 -0.466 0.000 0.978 215 F CB 1.726 40.397 39.000 -0.548 0.000 1.378 215 F HN -0.440 nan 8.300 nan 0.000 0.495 216 K N -0.049 120.230 120.400 -0.202 0.000 2.367 216 K HA 0.240 6.222 4.320 2.770 0.000 0.195 216 K C 0.423 176.981 176.600 -0.071 0.000 1.060 216 K CA 0.133 56.304 56.287 -0.194 0.000 1.022 216 K CB 0.808 33.111 32.500 -0.330 0.000 0.894 216 K HN 0.691 nan 8.250 nan 0.000 0.540 217 G N 0.975 109.731 108.800 -0.074 0.000 2.319 217 G HA2 0.288 5.910 3.960 2.770 0.000 0.308 217 G HA3 0.288 5.910 3.960 2.770 0.000 0.308 217 G C -0.958 173.461 174.900 -0.800 0.000 1.117 217 G CA 0.015 44.966 45.100 -0.249 0.000 0.903 217 G HN -0.097 nan 8.290 nan 0.000 0.436 218 T N 0.932 115.061 114.554 -0.708 0.000 2.933 218 T HA 0.362 6.374 4.350 2.770 0.000 0.305 218 T C -0.544 174.012 174.700 -0.241 0.000 1.092 218 T CA -0.530 61.227 62.100 -0.571 0.000 1.008 218 T CB 1.831 70.525 68.868 -0.290 0.000 1.102 218 T HN 0.264 nan 8.240 nan 0.000 0.469 219 D N 1.683 121.969 120.400 -0.189 0.000 2.363 219 D HA 0.219 6.521 4.640 2.770 0.000 0.214 219 D C 0.032 176.346 176.300 0.023 0.000 1.093 219 D CA 0.284 54.275 54.000 -0.015 0.000 0.837 219 D CB 0.559 41.351 40.800 -0.014 0.000 0.948 219 D HN 0.427 nan 8.370 nan 0.000 0.507 220 T N 0.680 115.166 114.554 -0.115 0.000 3.029 220 T HA 0.142 6.154 4.350 2.770 0.000 0.346 220 T C 1.710 176.274 174.700 -0.227 0.000 1.211 220 T CA -0.385 61.559 62.100 -0.260 0.000 1.009 220 T CB 1.339 69.920 68.868 -0.479 0.000 1.084 220 T HN -0.146 nan 8.240 nan 0.000 0.536 221 V N 1.314 121.170 119.914 -0.096 0.000 2.720 221 V HA -0.149 5.633 4.120 2.770 0.000 0.256 221 V C 2.728 178.763 176.094 -0.098 0.000 1.082 221 V CA 1.692 63.955 62.300 -0.063 0.000 1.101 221 V CB -1.353 30.488 31.823 0.029 0.000 0.693 221 V HN 0.853 nan 8.190 nan 0.000 0.479 222 A N 1.437 124.168 122.820 -0.149 0.000 1.972 222 A HA -0.004 5.978 4.320 2.770 0.000 0.219 222 A C 2.435 179.930 177.584 -0.147 0.000 1.169 222 A CA 1.756 53.717 52.037 -0.127 0.000 0.635 222 A CB -1.263 17.645 19.000 -0.152 0.000 0.810 222 A HN 0.554 nan 8.150 nan 0.000 0.446 223 G N 0.153 108.828 108.800 -0.208 0.000 2.469 223 G HA2 -0.205 5.417 3.960 2.770 0.000 0.219 223 G HA3 -0.205 5.417 3.960 2.770 0.000 0.219 223 G C 1.355 176.130 174.900 -0.208 0.000 1.150 223 G CA 1.227 46.203 45.100 -0.206 0.000 0.763 223 G HN 0.357 nan 8.290 nan 0.000 0.561 224 L N 1.088 122.194 121.223 -0.195 0.000 2.056 224 L HA 0.015 6.018 4.340 2.770 0.000 0.207 224 L C 3.315 180.103 176.870 -0.137 0.000 1.078 224 L CA 1.810 56.532 54.840 -0.196 0.000 0.749 224 L CB -1.730 40.227 42.059 -0.171 0.000 0.901 224 L HN 0.339 nan 8.230 nan 0.000 0.433 225 A N 0.060 122.827 122.820 -0.088 0.000 1.877 225 A HA -0.213 5.769 4.320 2.770 0.000 0.216 225 A C 2.440 180.018 177.584 -0.009 0.000 1.186 225 A CA 1.673 53.682 52.037 -0.047 0.000 0.620 225 A CB -0.805 18.181 19.000 -0.023 0.000 0.822 225 A HN 0.389 nan 8.150 nan 0.000 0.443 226 L N -0.551 120.687 121.223 0.024 0.000 2.012 226 L HA -0.196 5.806 4.340 2.770 0.000 0.210 226 L C 2.424 179.417 176.870 0.205 0.000 1.073 226 L CA 1.843 56.792 54.840 0.181 0.000 0.748 226 L CB -0.262 41.835 42.059 0.063 0.000 0.891 226 L HN 0.444 nan 8.230 nan 0.000 0.431 227 I N -0.172 120.396 120.570 -0.004 0.000 2.226 227 I HA -0.344 5.489 4.170 2.770 0.000 0.245 227 I C 2.657 178.789 176.117 0.025 0.000 1.100 227 I CA 1.515 62.773 61.300 -0.070 0.000 1.374 227 I CB -0.305 37.353 38.000 -0.569 0.000 1.057 227 I HN 0.294 nan 8.210 nan 0.000 0.413 228 K N 1.240 121.615 120.400 -0.042 0.000 2.026 228 K HA -0.273 5.709 4.320 2.770 0.000 0.208 228 K C 2.248 178.815 176.600 -0.056 0.000 1.048 228 K CA 1.794 58.058 56.287 -0.038 0.000 0.929 228 K CB -0.063 32.401 32.500 -0.059 0.000 0.713 228 K HN 0.111 nan 8.250 nan 0.000 0.439 229 K N -0.700 119.630 120.400 -0.116 0.000 2.057 229 K HA -0.153 5.829 4.320 2.770 0.000 0.206 229 K C 1.566 177.893 176.600 -0.455 0.000 1.050 229 K CA 1.574 57.661 56.287 -0.334 0.000 0.935 229 K CB -0.013 32.179 32.500 -0.513 0.000 0.715 229 K HN 0.215 nan 8.250 nan 0.000 0.439 230 Y N -2.168 118.108 120.300 -0.040 0.000 2.507 230 Y HA 0.098 6.310 4.550 2.770 0.000 0.263 230 Y C 1.002 176.691 175.900 -0.352 0.000 1.093 230 Y CA 0.130 58.111 58.100 -0.199 0.000 1.285 230 Y CB 0.495 38.829 38.460 -0.212 0.000 1.115 230 Y HN 0.034 nan 8.280 nan 0.000 0.533 231 Y N -0.926 119.487 120.300 0.189 0.000 2.769 231 Y HA 0.508 6.722 4.550 2.773 0.000 0.266 231 Y C 1.254 177.242 175.900 0.146 0.000 1.091 231 Y CA 0.114 58.342 58.100 0.214 0.000 1.272 231 Y CB 0.334 39.010 38.460 0.360 0.000 1.469 231 Y HN -0.130 nan 8.280 nan 0.000 0.475 232 G N 1.113 110.062 108.800 0.249 0.000 2.879 232 G HA2 0.123 5.745 3.960 2.770 0.000 0.686 232 G HA3 0.123 5.745 3.960 2.770 0.000 0.686 232 G C -0.491 174.515 174.900 0.176 0.000 1.115 232 G CA -0.322 44.863 45.100 0.142 0.000 0.770 232 G HN 0.503 nan 8.290 nan 0.000 0.601 233 T N -0.321 114.299 114.554 0.110 0.000 2.903 233 T HA 0.693 6.705 4.350 2.770 0.000 0.299 233 T C 1.013 175.756 174.700 0.072 0.000 1.093 233 T CA -0.216 61.951 62.100 0.113 0.000 1.002 233 T CB 2.281 71.216 68.868 0.110 0.000 1.127 233 T HN 0.607 nan 8.240 nan 0.000 0.488 234 K N 0.599 121.041 120.400 0.070 0.000 2.147 234 K HA -0.065 5.917 4.320 2.770 0.000 0.205 234 K C 0.079 176.714 176.600 0.057 0.000 1.049 234 K CA 0.879 57.200 56.287 0.055 0.000 0.936 234 K CB -0.372 32.159 32.500 0.051 0.000 0.722 234 K HN 0.710 nan 8.250 nan 0.000 0.446 235 D N 1.413 121.855 120.400 0.070 0.000 2.506 235 D HA -0.068 6.234 4.640 2.770 0.000 0.234 235 D C -1.673 174.663 176.300 0.060 0.000 1.143 235 D CA -0.746 53.304 54.000 0.083 0.000 0.871 235 D CB 0.933 41.789 40.800 0.094 0.000 1.190 235 D HN 0.099 nan 8.370 nan 0.000 0.459 236 P HA -0.087 nan 4.420 nan 0.000 0.219 236 P C 0.127 177.437 177.300 0.018 0.000 1.150 236 P CA 0.814 63.945 63.100 0.051 0.000 0.814 236 P CB 0.330 32.074 31.700 0.074 0.000 0.787 237 V N -5.845 114.070 119.914 0.002 0.000 2.888 237 V HA 0.476 6.258 4.120 2.770 0.000 0.309 237 V C -2.387 173.551 176.094 -0.260 0.000 1.114 237 V CA -2.071 60.146 62.300 -0.139 0.000 0.940 237 V CB 2.038 33.747 31.823 -0.190 0.000 1.021 237 V HN -0.261 nan 8.190 nan 0.000 0.426 238 P HA 0.282 nan 4.420 nan 0.000 0.245 238 P C 0.566 177.605 177.300 -0.436 0.000 1.206 238 P CA 0.847 63.783 63.100 -0.273 0.000 0.781 238 P CB 0.632 32.179 31.700 -0.254 0.000 0.994 239 G N -1.155 107.237 108.800 -0.680 0.000 2.659 239 G HA2 0.628 6.250 3.960 2.770 0.000 0.296 239 G HA3 0.628 6.250 3.960 2.770 0.000 0.296 239 G C -2.067 172.402 174.900 -0.719 0.000 1.369 239 G CA -0.446 44.292 45.100 -0.602 0.000 0.937 239 G HN -0.071 nan 8.290 nan 0.000 0.485 240 Y N -0.618 119.724 120.300 0.070 0.000 2.615 240 Y HA 0.792 7.003 4.550 2.768 0.000 0.341 240 Y C 0.312 176.321 175.900 0.183 0.000 1.089 240 Y CA -0.854 57.319 58.100 0.122 0.000 1.049 240 Y CB 2.805 41.373 38.460 0.180 0.000 1.296 240 Y HN 0.725 nan 8.280 nan 0.000 0.470 241 S N 0.503 116.395 115.700 0.319 0.000 2.596 241 S HA 0.799 6.931 4.470 2.770 0.000 0.270 241 S C -1.774 172.879 174.600 0.089 0.000 1.155 241 S CA -0.654 57.681 58.200 0.224 0.000 0.827 241 S CB 1.326 64.626 63.200 0.168 0.000 1.130 241 S HN 0.830 nan 8.310 nan 0.000 0.467 242 V N 0.676 120.588 119.914 -0.003 0.000 2.960 242 V HA 0.827 6.609 4.120 2.770 0.000 0.315 242 V C -2.891 173.112 176.094 -0.152 0.000 1.087 242 V CA -2.480 59.773 62.300 -0.079 0.000 0.982 242 V CB 0.671 32.431 31.823 -0.104 0.000 1.039 242 V HN 0.715 nan 8.190 nan 0.000 0.437 243 P HA 0.551 nan 4.420 nan 0.000 0.267 243 P C -0.607 176.442 177.300 -0.419 0.000 1.205 243 P CA 0.449 63.233 63.100 -0.527 0.000 0.765 243 P CB 0.722 31.707 31.700 -1.192 0.000 0.828 244 A N 2.530 125.171 122.820 -0.298 0.000 2.455 244 A HA 0.720 6.702 4.320 2.770 0.000 0.300 244 A C -0.561 176.952 177.584 -0.119 0.000 1.040 244 A CA -0.640 51.281 52.037 -0.193 0.000 0.697 244 A CB 1.512 20.429 19.000 -0.139 0.000 1.265 244 A HN 0.539 nan 8.150 nan 0.000 0.407 245 A N 1.400 124.167 122.820 -0.088 0.000 2.351 245 A HA 0.634 6.616 4.320 2.770 0.000 0.257 245 A C 0.313 177.847 177.584 -0.083 0.000 1.087 245 A CA 0.189 52.212 52.037 -0.023 0.000 0.798 245 A CB 0.109 19.125 19.000 0.026 0.000 1.033 245 A HN 0.992 nan 8.150 nan 0.000 0.488 246 E N -0.040 120.132 120.200 -0.046 0.000 2.334 246 E HA 0.439 6.451 4.350 2.770 0.000 0.256 246 E C -0.066 176.472 176.600 -0.103 0.000 0.958 246 E CA -0.705 55.627 56.400 -0.113 0.000 0.821 246 E CB 0.486 30.172 29.700 -0.023 0.000 1.269 246 E HN 0.663 nan 8.360 nan 0.000 0.413 247 H N 0.136 119.210 119.070 0.006 0.000 2.352 247 H HA -0.191 6.027 4.556 2.769 0.000 0.299 247 H C 2.347 177.700 175.328 0.041 0.000 1.097 247 H CA 2.666 58.714 56.048 0.000 0.000 1.311 247 H CB 0.012 29.750 29.762 -0.040 0.000 1.377 247 H HN 0.634 nan 8.280 nan 0.000 0.504 248 S N 0.221 116.017 115.700 0.160 0.000 2.374 248 S HA -0.235 5.897 4.470 2.770 0.000 0.227 248 S C 2.277 176.974 174.600 0.162 0.000 1.037 248 S CA 1.917 60.195 58.200 0.131 0.000 1.024 248 S CB -0.864 62.392 63.200 0.094 0.000 0.861 248 S HN 0.645 nan 8.310 nan 0.000 0.456 249 T N -0.560 114.098 114.554 0.174 0.000 3.055 249 T HA 0.203 6.215 4.350 2.770 0.000 0.265 249 T C 1.736 176.676 174.700 0.400 0.000 1.111 249 T CA 0.577 62.835 62.100 0.264 0.000 1.118 249 T CB -0.346 68.671 68.868 0.249 0.000 0.909 249 T HN 0.352 nan 8.240 nan 0.000 0.501 250 I N 2.876 123.619 120.570 0.288 0.000 2.385 250 I HA -0.005 5.827 4.170 2.770 0.000 0.244 250 I C 2.972 179.294 176.117 0.341 0.000 1.089 250 I CA 1.698 63.163 61.300 0.275 0.000 1.410 250 I CB -1.766 36.347 38.000 0.189 0.000 1.117 250 I HN 0.469 nan 8.210 nan 0.000 0.429 251 T N -0.071 114.637 114.554 0.257 0.000 2.915 251 T HA 0.018 6.030 4.350 2.770 0.000 0.269 251 T C 2.013 176.877 174.700 0.274 0.000 1.071 251 T CA 0.949 63.208 62.100 0.266 0.000 1.132 251 T CB -0.478 68.489 68.868 0.165 0.000 0.878 251 T HN 0.235 nan 8.240 nan 0.000 0.479 252 A N 0.716 123.682 122.820 0.243 0.000 2.032 252 A HA -0.039 5.943 4.320 2.770 0.000 0.221 252 A C 1.892 179.505 177.584 0.049 0.000 1.165 252 A CA 1.233 53.333 52.037 0.105 0.000 0.645 252 A CB -1.291 17.717 19.000 0.013 0.000 0.807 252 A HN 0.766 nan 8.150 nan 0.000 0.453 253 W N -0.807 120.528 121.300 0.058 0.000 2.595 253 W HA 0.365 6.687 4.660 2.771 0.000 0.257 253 W C 1.341 177.919 176.519 0.099 0.000 1.267 253 W CA 1.237 58.608 57.345 0.044 0.000 1.300 253 W CB -0.405 29.085 29.460 0.051 0.000 1.120 253 W HN 0.681 nan 8.180 nan 0.000 0.618 254 G N 0.519 109.500 108.800 0.303 0.000 2.675 254 G HA2 -0.241 5.381 3.960 2.770 0.000 0.686 254 G HA3 -0.241 5.381 3.960 2.770 0.000 0.686 254 G C 0.782 175.765 174.900 0.138 0.000 1.215 254 G CA -0.311 44.919 45.100 0.216 0.000 0.777 254 G HN 0.210 nan 8.290 nan 0.000 0.638 255 K N -0.156 120.211 120.400 -0.054 0.000 2.103 255 K HA -0.128 5.854 4.320 2.770 0.000 0.207 255 K C 1.036 177.355 176.600 -0.469 0.000 1.048 255 K CA 1.939 57.938 56.287 -0.479 0.000 0.930 255 K CB -0.000 32.193 32.500 -0.511 0.000 0.716 255 K HN 0.399 nan 8.250 nan 0.000 0.444 256 D N 0.658 120.848 120.400 -0.350 0.000 2.349 256 D HA -0.025 6.277 4.640 2.770 0.000 0.224 256 D C 0.229 176.154 176.300 -0.625 0.000 1.029 256 D CA 0.759 54.461 54.000 -0.496 0.000 0.879 256 D CB 0.021 40.486 40.800 -0.557 0.000 0.906 256 D HN 0.526 nan 8.370 nan 0.000 0.528 257 H N -0.490 118.536 119.070 -0.073 0.000 2.492 257 H HA 0.179 6.397 4.556 2.770 0.000 0.264 257 H C 1.336 176.585 175.328 -0.131 0.000 1.150 257 H CA -0.233 55.793 56.048 -0.036 0.000 0.962 257 H CB 0.679 30.511 29.762 0.118 0.000 1.766 257 H HN 0.012 nan 8.280 nan 0.000 0.589 258 E N 1.746 121.838 120.200 -0.181 0.000 2.085 258 E HA -0.239 5.773 4.350 2.770 0.000 0.194 258 E C 2.098 178.225 176.600 -0.788 0.000 0.994 258 E CA 1.099 57.237 56.400 -0.438 0.000 0.801 258 E CB 0.249 29.688 29.700 -0.434 0.000 0.743 258 E HN 0.370 nan 8.360 nan 0.000 0.453 259 K N 0.311 120.375 120.400 -0.560 0.000 2.057 259 K HA -0.189 5.793 4.320 2.770 0.000 0.207 259 K C 1.548 177.970 176.600 -0.296 0.000 1.049 259 K CA 1.772 57.794 56.287 -0.442 0.000 0.931 259 K CB -0.011 32.336 32.500 -0.256 0.000 0.714 259 K HN 0.101 nan 8.250 nan 0.000 0.440 260 D N 0.558 120.819 120.400 -0.232 0.000 2.117 260 D HA -0.134 6.168 4.640 2.770 0.000 0.197 260 D C 1.817 177.678 176.300 -0.731 0.000 0.987 260 D CA 1.288 55.130 54.000 -0.262 0.000 0.829 260 D CB -0.280 40.504 40.800 -0.026 0.000 0.961 260 D HN 0.333 nan 8.370 nan 0.000 0.460 261 A N 1.067 123.262 122.820 -1.041 0.000 1.859 261 A HA -0.225 5.757 4.320 2.770 0.000 0.217 261 A C 2.094 179.434 177.584 -0.407 0.000 1.198 261 A CA 1.258 52.470 52.037 -1.376 0.000 0.629 261 A CB -1.039 17.412 19.000 -0.914 0.000 0.830 261 A HN 0.095 nan 8.150 nan 0.000 0.446 262 F N -0.066 119.645 119.950 -0.398 0.000 2.065 262 F HA -0.175 6.015 4.527 2.772 0.000 0.298 262 F C 2.388 178.131 175.800 -0.096 0.000 1.112 262 F CA 1.383 59.249 58.000 -0.223 0.000 1.212 262 F CB -1.285 37.352 39.000 -0.604 0.000 0.975 262 F HN 0.530 nan 8.300 nan 0.000 0.476 263 E N -0.648 119.576 120.200 0.040 0.000 2.049 263 E HA -0.337 5.675 4.350 2.770 0.000 0.198 263 E C 2.248 178.874 176.600 0.042 0.000 1.007 263 E CA 1.830 58.251 56.400 0.035 0.000 0.809 263 E CB -0.431 29.269 29.700 -0.001 0.000 0.749 263 E HN 0.508 nan 8.360 nan 0.000 0.450 264 H N -0.083 118.911 119.070 -0.126 0.000 2.353 264 H HA -0.134 6.084 4.556 2.770 0.000 0.298 264 H C 1.981 177.330 175.328 0.034 0.000 1.103 264 H CA 2.384 58.407 56.048 -0.042 0.000 1.293 264 H CB -0.157 29.568 29.762 -0.062 0.000 1.372 264 H HN 0.242 nan 8.280 nan 0.000 0.501 265 I N 0.043 120.684 120.570 0.119 0.000 2.202 265 I HA -0.218 5.614 4.170 2.770 0.000 0.242 265 I C 2.470 178.690 176.117 0.171 0.000 1.091 265 I CA 1.260 62.673 61.300 0.187 0.000 1.368 265 I CB -0.207 37.961 38.000 0.281 0.000 1.058 265 I HN 0.341 nan 8.210 nan 0.000 0.410 266 V N -2.809 117.187 119.914 0.138 0.000 2.809 266 V HA -0.137 5.645 4.120 2.770 0.000 0.256 266 V C 2.095 178.208 176.094 0.032 0.000 1.080 266 V CA 1.943 64.306 62.300 0.105 0.000 1.102 266 V CB -1.219 30.669 31.823 0.108 0.000 0.705 266 V HN 0.349 nan 8.190 nan 0.000 0.475 267 T N -0.646 113.890 114.554 -0.030 0.000 2.937 267 T HA -0.062 5.950 4.350 2.770 0.000 0.260 267 T C 1.995 176.579 174.700 -0.193 0.000 1.051 267 T CA 1.219 63.266 62.100 -0.088 0.000 1.141 267 T CB -0.252 68.569 68.868 -0.077 0.000 0.879 267 T HN 0.388 nan 8.240 nan 0.000 0.459 268 Q N 0.398 119.990 119.800 -0.347 0.000 2.135 268 Q HA 0.000 6.003 4.340 2.770 0.000 0.204 268 Q C 0.378 175.940 176.000 -0.730 0.000 0.981 268 Q CA 1.267 56.691 55.803 -0.632 0.000 0.856 268 Q CB -0.228 27.970 28.738 -0.900 0.000 0.902 268 Q HN 0.584 nan 8.270 nan 0.000 0.425 269 F N -0.039 119.876 119.950 -0.059 0.000 2.739 269 F HA 0.163 6.354 4.527 2.772 0.000 0.345 269 F C 1.344 177.115 175.800 -0.048 0.000 1.373 269 F CA -0.322 57.651 58.000 -0.044 0.000 1.160 269 F CB 0.343 39.321 39.000 -0.037 0.000 1.137 269 F HN -0.080 nan 8.300 nan 0.000 0.524 270 S N -1.107 114.615 115.700 0.037 0.000 2.447 270 S HA -0.151 5.981 4.470 2.770 0.000 0.233 270 S C 1.771 176.381 174.600 0.016 0.000 1.006 270 S CA 1.197 59.405 58.200 0.012 0.000 0.957 270 S CB -0.299 62.889 63.200 -0.020 0.000 0.773 270 S HN 0.421 nan 8.310 nan 0.000 0.507 271 S N 0.236 115.955 115.700 0.032 0.000 2.559 271 S HA 0.450 6.582 4.470 2.770 0.000 0.226 271 S C 0.327 174.942 174.600 0.024 0.000 1.000 271 S CA -0.021 58.191 58.200 0.019 0.000 0.948 271 S CB -0.081 63.127 63.200 0.013 0.000 0.870 271 S HN 0.695 nan 8.310 nan 0.000 0.497 272 V N -2.714 117.229 119.914 0.049 0.000 3.126 272 V HA 0.760 6.542 4.120 2.770 0.000 0.314 272 V C -3.311 172.776 176.094 -0.012 0.000 1.138 272 V CA -3.157 59.155 62.300 0.020 0.000 1.034 272 V CB 0.936 32.782 31.823 0.039 0.000 1.075 272 V HN -0.109 nan 8.190 nan 0.000 0.442 273 P HA 0.350 nan 4.420 nan 0.000 0.268 273 P C -0.881 176.346 177.300 -0.121 0.000 1.205 273 P CA 0.163 63.206 63.100 -0.095 0.000 0.771 273 P CB 1.002 32.633 31.700 -0.114 0.000 0.858 274 V N 2.207 122.034 119.914 -0.145 0.000 2.733 274 V HA 0.473 6.255 4.120 2.770 0.000 0.306 274 V C -0.818 175.145 176.094 -0.218 0.000 1.084 274 V CA -0.519 61.670 62.300 -0.185 0.000 0.905 274 V CB 2.139 33.902 31.823 -0.099 0.000 1.010 274 V HN 0.546 nan 8.190 nan 0.000 0.424 275 S N 5.459 121.024 115.700 -0.226 0.000 2.442 275 S HA 0.757 6.889 4.470 2.770 0.000 0.297 275 S C -0.956 173.510 174.600 -0.223 0.000 1.131 275 S CA -0.444 57.613 58.200 -0.238 0.000 1.092 275 S CB 1.163 64.234 63.200 -0.216 0.000 0.998 275 S HN 0.822 nan 8.310 nan 0.000 0.478 276 V N 5.899 125.659 119.914 -0.255 0.000 2.376 276 V HA 0.380 6.162 4.120 2.770 0.000 0.287 276 V C 0.244 176.233 176.094 -0.174 0.000 1.015 276 V CA -0.955 61.231 62.300 -0.190 0.000 0.834 276 V CB 1.377 33.108 31.823 -0.153 0.000 1.001 276 V HN 0.760 nan 8.190 nan 0.000 0.428 277 V N 5.112 124.929 119.914 -0.162 0.000 2.557 277 V HA 0.108 5.890 4.120 2.770 0.000 0.301 277 V C 1.081 177.165 176.094 -0.017 0.000 1.026 277 V CA 1.203 63.395 62.300 -0.180 0.000 1.137 277 V CB 1.539 33.122 31.823 -0.400 0.000 0.917 277 V HN 1.042 nan 8.190 nan 0.000 0.484 278 S N 3.596 119.321 115.700 0.041 0.000 2.730 278 S HA 0.150 6.282 4.470 2.770 0.000 0.244 278 S C 0.687 175.387 174.600 0.166 0.000 1.022 278 S CA 0.117 58.460 58.200 0.238 0.000 1.014 278 S CB 0.079 63.465 63.200 0.311 0.000 0.963 278 S HN 1.003 nan 8.310 nan 0.000 0.540 279 D N 0.685 121.128 120.400 0.073 0.000 2.424 279 D HA 0.199 6.501 4.640 2.770 0.000 0.220 279 D C 0.861 177.147 176.300 -0.023 0.000 1.150 279 D CA -0.007 53.997 54.000 0.006 0.000 0.831 279 D CB -0.100 40.690 40.800 -0.017 0.000 0.981 279 D HN 0.018 nan 8.370 nan 0.000 0.500 280 S N -0.189 115.471 115.700 -0.067 0.000 2.374 280 S HA -0.161 5.971 4.470 2.770 0.000 0.227 280 S C 0.934 175.164 174.600 -0.616 0.000 1.037 280 S CA 1.368 59.331 58.200 -0.396 0.000 1.024 280 S CB -0.244 62.510 63.200 -0.743 0.000 0.861 280 S HN 0.549 nan 8.310 nan 0.000 0.456 281 Y N -0.706 119.598 120.300 0.006 0.000 2.769 281 Y HA 0.383 6.595 4.550 2.771 0.000 0.266 281 Y C 0.149 176.028 175.900 -0.035 0.000 1.091 281 Y CA -0.434 57.651 58.100 -0.026 0.000 1.272 281 Y CB 0.834 39.266 38.460 -0.047 0.000 1.469 281 Y HN 0.060 nan 8.280 nan 0.000 0.475 282 D N 0.124 120.580 120.400 0.093 0.000 2.333 282 D HA 0.084 6.386 4.640 2.770 0.000 0.225 282 D C 0.100 176.377 176.300 -0.038 0.000 1.345 282 D CA -0.053 53.956 54.000 0.015 0.000 0.971 282 D CB 1.005 41.846 40.800 0.067 0.000 1.451 282 D HN 0.256 nan 8.370 nan 0.000 0.561 283 I N 3.375 123.818 120.570 -0.211 0.000 2.493 283 I HA -0.194 5.638 4.170 2.770 0.000 0.254 283 I C 0.764 176.787 176.117 -0.157 0.000 1.160 283 I CA 1.058 62.223 61.300 -0.225 0.000 1.445 283 I CB 0.092 37.860 38.000 -0.386 0.000 1.086 283 I HN 0.437 nan 8.210 nan 0.000 0.433 284 Y N 0.419 120.774 120.300 0.090 0.000 2.286 284 Y HA -0.205 6.006 4.550 2.768 0.000 0.293 284 Y C 2.467 178.422 175.900 0.092 0.000 1.124 284 Y CA 1.439 59.589 58.100 0.084 0.000 1.178 284 Y CB -0.637 37.860 38.460 0.062 0.000 1.010 284 Y HN 0.282 nan 8.280 nan 0.000 0.536 285 N N 0.812 119.623 118.700 0.186 0.000 2.084 285 N HA -0.205 6.197 4.740 2.770 0.000 0.190 285 N C 1.900 177.475 175.510 0.108 0.000 1.030 285 N CA 1.516 54.639 53.050 0.121 0.000 0.849 285 N CB -0.358 38.172 38.487 0.073 0.000 1.012 285 N HN 0.268 nan 8.380 nan 0.000 0.423 286 A N 0.041 122.927 122.820 0.111 0.000 1.865 286 A HA -0.190 5.792 4.320 2.770 0.000 0.217 286 A C 2.665 180.375 177.584 0.210 0.000 1.191 286 A CA 1.718 53.829 52.037 0.125 0.000 0.623 286 A CB -1.289 17.856 19.000 0.242 0.000 0.826 286 A HN 0.603 nan 8.150 nan 0.000 0.444 287 C N -1.334 118.160 119.300 0.324 0.000 2.453 287 C HA -0.038 6.084 4.460 2.770 0.000 0.277 287 C C 2.728 177.926 174.990 0.346 0.000 1.262 287 C CA 1.213 60.489 59.018 0.429 0.000 1.718 287 C CB -1.107 26.825 27.740 0.320 0.000 2.031 287 C HN 0.793 nan 8.230 nan 0.000 0.480 288 E N 0.470 120.816 120.200 0.243 0.000 2.051 288 E HA -0.134 5.878 4.350 2.770 0.000 0.189 288 E C 2.086 178.770 176.600 0.140 0.000 0.979 288 E CA 1.001 57.511 56.400 0.183 0.000 0.803 288 E CB 0.070 29.858 29.700 0.147 0.000 0.761 288 E HN 0.552 nan 8.360 nan 0.000 0.451 289 K N -0.410 120.058 120.400 0.113 0.000 2.244 289 K HA 0.145 6.127 4.320 2.770 0.000 0.200 289 K C 2.113 178.744 176.600 0.051 0.000 1.052 289 K CA 0.375 56.701 56.287 0.065 0.000 0.980 289 K CB 0.363 32.883 32.500 0.033 0.000 0.838 289 K HN 0.140 nan 8.250 nan 0.000 0.481 290 I N -0.760 119.826 120.570 0.026 0.000 2.270 290 I HA -0.134 5.698 4.170 2.770 0.000 0.239 290 I C 1.895 178.035 176.117 0.039 0.000 1.080 290 I CA 1.140 62.402 61.300 -0.063 0.000 1.383 290 I CB -0.327 37.530 38.000 -0.239 0.000 1.097 290 I HN 0.212 nan 8.210 nan 0.000 0.420 291 W N 1.111 122.546 121.300 0.226 0.000 2.418 291 W HA -0.001 6.323 4.660 2.772 0.000 0.292 291 W C 2.507 179.195 176.519 0.281 0.000 1.213 291 W CA 0.685 58.166 57.345 0.228 0.000 1.283 291 W CB -0.545 29.029 29.460 0.190 0.000 1.119 291 W HN 0.107 nan 8.180 nan 0.000 0.542 292 G N -0.266 108.781 108.800 0.412 0.000 2.572 292 G HA2 -0.034 5.588 3.960 2.770 0.000 0.216 292 G HA3 -0.034 5.588 3.960 2.770 0.000 0.216 292 G C 1.061 175.968 174.900 0.011 0.000 1.133 292 G CA 0.978 46.181 45.100 0.172 0.000 0.791 292 G HN 0.298 nan 8.290 nan 0.000 0.538 293 E N -0.693 119.558 120.200 0.084 0.000 3.844 293 E HA 0.038 6.050 4.350 2.770 0.000 0.201 293 E C 1.419 178.080 176.600 0.102 0.000 1.278 293 E CA -0.125 56.309 56.400 0.056 0.000 1.565 293 E CB 0.106 29.827 29.700 0.035 0.000 1.543 293 E HN -0.047 nan 8.360 nan 0.000 0.584 294 D N 1.276 121.730 120.400 0.091 0.000 2.133 294 D HA -0.143 6.159 4.640 2.770 0.000 0.195 294 D C 1.544 177.952 176.300 0.180 0.000 0.997 294 D CA 1.334 55.396 54.000 0.104 0.000 0.840 294 D CB 0.152 40.974 40.800 0.037 0.000 0.947 294 D HN 0.125 nan 8.370 nan 0.000 0.452 295 L N -0.246 121.062 121.223 0.142 0.000 2.857 295 L HA 0.270 6.272 4.340 2.770 0.000 0.249 295 L C 1.983 178.884 176.870 0.052 0.000 1.172 295 L CA -0.247 54.620 54.840 0.046 0.000 0.980 295 L CB 0.357 42.478 42.059 0.102 0.000 1.299 295 L HN -0.119 nan 8.230 nan 0.000 0.535 296 R N 0.849 121.463 120.500 0.190 0.000 2.133 296 R HA -0.227 5.775 4.340 2.770 0.000 0.247 296 R C 2.392 178.778 176.300 0.144 0.000 1.151 296 R CA 2.165 58.394 56.100 0.215 0.000 0.971 296 R CB -0.207 30.149 30.300 0.094 0.000 0.866 296 R HN 0.579 nan 8.270 nan 0.000 0.447 297 H N -0.579 118.542 119.070 0.085 0.000 2.491 297 H HA -0.077 6.141 4.556 2.771 0.000 0.290 297 H C 1.743 177.087 175.328 0.026 0.000 1.050 297 H CA 0.984 57.055 56.048 0.038 0.000 1.309 297 H CB -0.339 29.439 29.762 0.026 0.000 1.392 297 H HN 0.304 nan 8.280 nan 0.000 0.554 298 L N 0.091 121.110 121.223 -0.340 0.000 2.509 298 L HA 0.125 6.127 4.340 2.770 0.000 0.222 298 L C 2.058 178.868 176.870 -0.100 0.000 1.123 298 L CA 0.207 54.929 54.840 -0.197 0.000 0.856 298 L CB 0.051 41.980 42.059 -0.218 0.000 0.985 298 L HN 0.161 nan 8.230 nan 0.000 0.456 299 I N -0.742 119.782 120.570 -0.076 0.000 2.685 299 I HA -0.101 5.731 4.170 2.770 0.000 0.251 299 I C 2.311 178.171 176.117 -0.427 0.000 1.102 299 I CA 0.557 61.783 61.300 -0.123 0.000 1.442 299 I CB 0.029 38.053 38.000 0.040 0.000 1.194 299 I HN 0.035 nan 8.210 nan 0.000 0.448 300 V N -0.988 118.670 119.914 -0.426 0.000 2.867 300 V HA -0.132 5.650 4.120 2.770 0.000 0.260 300 V C 2.150 177.881 176.094 -0.604 0.000 1.099 300 V CA 1.866 63.649 62.300 -0.861 0.000 1.122 300 V CB -1.142 30.526 31.823 -0.258 0.000 0.708 300 V HN 0.502 nan 8.190 nan 0.000 0.490 301 S N -0.801 114.712 115.700 -0.310 0.000 2.558 301 S HA 0.211 6.343 4.470 2.770 0.000 0.217 301 S C 1.064 175.586 174.600 -0.130 0.000 0.975 301 S CA -0.389 57.718 58.200 -0.155 0.000 0.912 301 S CB -0.306 62.854 63.200 -0.067 0.000 0.776 301 S HN 0.660 nan 8.310 nan 0.000 0.526 302 R N 2.027 122.417 120.500 -0.184 0.000 2.641 302 R HA 0.325 6.327 4.340 2.770 0.000 0.269 302 R C 0.376 176.685 176.300 0.015 0.000 1.074 302 R CA -0.031 56.028 56.100 -0.069 0.000 1.133 302 R CB 0.531 30.799 30.300 -0.054 0.000 1.029 302 R HN 0.313 nan 8.270 nan 0.000 0.488 303 S N 0.381 116.093 115.700 0.020 0.000 2.576 303 S HA -0.021 6.111 4.470 2.770 0.000 0.276 303 S C 1.159 175.788 174.600 0.048 0.000 1.339 303 S CA -0.417 57.803 58.200 0.034 0.000 1.039 303 S CB 1.048 64.254 63.200 0.009 0.000 0.902 303 S HN 0.585 nan 8.310 nan 0.000 0.516 304 T N 3.767 118.347 114.554 0.044 0.000 2.849 304 T HA -0.111 5.901 4.350 2.770 0.000 0.270 304 T C 1.567 176.255 174.700 -0.020 0.000 1.066 304 T CA 1.362 63.469 62.100 0.012 0.000 1.130 304 T CB -0.213 68.659 68.868 0.006 0.000 0.864 304 T HN 0.674 nan 8.240 nan 0.000 0.481 305 Q N 0.479 120.267 119.800 -0.020 0.000 2.432 305 Q HA 0.314 6.316 4.340 2.770 0.000 0.205 305 Q C 1.021 176.992 176.000 -0.048 0.000 0.945 305 Q CA 0.300 56.078 55.803 -0.041 0.000 0.924 305 Q CB -0.000 28.716 28.738 -0.036 0.000 1.016 305 Q HN 0.502 nan 8.270 nan 0.000 0.503 306 A N 2.295 125.095 122.820 -0.033 0.000 3.297 306 A HA 0.410 6.392 4.320 2.770 0.000 0.304 306 A C -2.487 175.071 177.584 -0.043 0.000 0.963 306 A CA -1.270 50.745 52.037 -0.038 0.000 0.935 306 A CB 0.474 19.464 19.000 -0.018 0.000 1.093 306 A HN -0.053 nan 8.150 nan 0.000 0.480 307 P HA 0.198 nan 4.420 nan 0.000 0.272 307 P C -0.113 177.103 177.300 -0.141 0.000 1.240 307 P CA -0.239 62.812 63.100 -0.082 0.000 0.791 307 P CB 0.918 32.547 31.700 -0.119 0.000 0.978 308 L N 2.279 123.386 121.223 -0.193 0.000 2.360 308 L HA 0.262 6.264 4.340 2.770 0.000 0.276 308 L C -0.253 176.393 176.870 -0.372 0.000 1.121 308 L CA 0.037 54.673 54.840 -0.340 0.000 0.845 308 L CB -0.559 41.191 42.059 -0.514 0.000 1.143 308 L HN 0.176 nan 8.230 nan 0.000 0.452 309 I N 6.909 127.259 120.570 -0.368 0.000 2.337 309 I HA 0.302 6.134 4.170 2.770 0.000 0.285 309 I C -0.163 175.712 176.117 -0.404 0.000 1.041 309 I CA -0.256 60.840 61.300 -0.340 0.000 1.199 309 I CB 0.736 38.585 38.000 -0.252 0.000 1.370 309 I HN 0.508 nan 8.210 nan 0.000 0.470 310 I N 6.148 126.453 120.570 -0.443 0.000 2.496 310 I HA 0.210 6.043 4.170 2.770 0.000 0.285 310 I C 0.650 176.599 176.117 -0.279 0.000 1.080 310 I CA -0.042 61.004 61.300 -0.424 0.000 1.404 310 I CB 0.550 38.293 38.000 -0.429 0.000 1.403 310 I HN 0.543 nan 8.210 nan 0.000 0.539 311 R N 8.845 129.210 120.500 -0.225 0.000 2.310 311 R HA 0.403 6.406 4.340 2.770 0.000 0.316 311 R C -2.570 173.649 176.300 -0.135 0.000 1.004 311 R CA -1.693 54.289 56.100 -0.197 0.000 0.900 311 R CB 1.079 31.241 30.300 -0.230 0.000 1.152 311 R HN 0.281 nan 8.270 nan 0.000 0.513 312 P HA 0.110 nan 4.420 nan 0.000 0.272 312 P C -0.728 176.529 177.300 -0.071 0.000 1.230 312 P CA 0.047 63.097 63.100 -0.082 0.000 0.788 312 P CB 1.043 32.698 31.700 -0.075 0.000 0.949 313 D N -1.033 119.347 120.400 -0.033 0.000 2.672 313 D HA 0.143 6.445 4.640 2.770 0.000 0.287 313 D C -0.749 175.556 176.300 0.009 0.000 1.559 313 D CA -0.055 53.944 54.000 -0.002 0.000 0.796 313 D CB 0.201 41.034 40.800 0.056 0.000 1.181 313 D HN 0.370 nan 8.370 nan 0.000 0.458 314 S N -1.834 113.859 115.700 -0.011 0.000 2.611 314 S HA 0.770 6.902 4.470 2.770 0.000 0.268 314 S C 0.288 174.889 174.600 0.002 0.000 1.156 314 S CA -0.341 57.853 58.200 -0.010 0.000 0.817 314 S CB 1.383 64.567 63.200 -0.028 0.000 1.122 314 S HN 0.694 nan 8.310 nan 0.000 0.466 315 G N 1.365 110.177 108.800 0.019 0.000 2.757 315 G HA2 -0.084 5.538 3.960 2.770 0.000 0.638 315 G HA3 -0.084 5.538 3.960 2.770 0.000 0.638 315 G C -0.517 174.414 174.900 0.050 0.000 1.344 315 G CA -0.264 44.866 45.100 0.049 0.000 0.855 315 G HN 1.397 nan 8.290 nan 0.000 0.537 316 N N 1.205 119.941 118.700 0.061 0.000 2.414 316 N HA 0.360 6.762 4.740 2.770 0.000 0.268 316 N C -0.553 174.990 175.510 0.056 0.000 1.286 316 N CA -0.392 52.690 53.050 0.053 0.000 0.896 316 N CB 0.969 39.487 38.487 0.052 0.000 1.093 316 N HN 0.206 nan 8.380 nan 0.000 0.480 317 P HA -0.219 nan 4.420 nan 0.000 0.215 317 P C 1.455 178.788 177.300 0.055 0.000 1.157 317 P CA 0.891 64.023 63.100 0.053 0.000 0.874 317 P CB 0.167 31.903 31.700 0.060 0.000 0.790 318 L N -0.371 120.884 121.223 0.053 0.000 1.994 318 L HA -0.186 5.816 4.340 2.770 0.000 0.208 318 L C 1.709 178.604 176.870 0.043 0.000 1.071 318 L CA 2.091 56.960 54.840 0.048 0.000 0.745 318 L CB -0.860 41.225 42.059 0.043 0.000 0.892 318 L HN -0.047 nan 8.230 nan 0.000 0.431 319 D N -0.640 119.789 120.400 0.049 0.000 2.123 319 D HA -0.173 6.129 4.640 2.770 0.000 0.196 319 D C 2.045 178.386 176.300 0.068 0.000 0.992 319 D CA 1.818 55.847 54.000 0.049 0.000 0.833 319 D CB -0.225 40.605 40.800 0.051 0.000 0.954 319 D HN 0.356 nan 8.370 nan 0.000 0.455 320 T N 0.436 115.052 114.554 0.103 0.000 2.777 320 T HA -0.068 5.944 4.350 2.770 0.000 0.266 320 T C 2.286 177.048 174.700 0.102 0.000 1.040 320 T CA 0.542 62.748 62.100 0.177 0.000 1.141 320 T CB -0.327 68.624 68.868 0.138 0.000 0.868 320 T HN -0.039 nan 8.240 nan 0.000 0.444 321 V N 1.737 121.663 119.914 0.019 0.000 2.255 321 V HA -0.162 5.620 4.120 2.770 0.000 0.247 321 V C 2.516 178.538 176.094 -0.121 0.000 1.051 321 V CA 1.619 63.880 62.300 -0.065 0.000 1.018 321 V CB -0.686 31.091 31.823 -0.076 0.000 0.641 321 V HN 0.441 nan 8.190 nan 0.000 0.445 322 L N -0.396 120.781 121.223 -0.075 0.000 2.046 322 L HA -0.236 5.766 4.340 2.770 0.000 0.208 322 L C 2.568 179.393 176.870 -0.075 0.000 1.077 322 L CA 2.131 56.916 54.840 -0.091 0.000 0.747 322 L CB -0.600 41.468 42.059 0.015 0.000 0.896 322 L HN 0.326 nan 8.230 nan 0.000 0.432 323 K N -0.055 120.328 120.400 -0.027 0.000 2.062 323 K HA -0.113 5.869 4.320 2.770 0.000 0.205 323 K C 2.045 178.656 176.600 0.018 0.000 1.051 323 K CA 0.872 57.133 56.287 -0.042 0.000 0.941 323 K CB 0.075 32.465 32.500 -0.183 0.000 0.719 323 K HN 0.002 nan 8.250 nan 0.000 0.440 324 V N 1.801 121.760 119.914 0.075 0.000 2.255 324 V HA -0.292 5.490 4.120 2.770 0.000 0.247 324 V C 2.302 178.346 176.094 -0.084 0.000 1.051 324 V CA 1.823 64.158 62.300 0.058 0.000 1.018 324 V CB -0.352 31.479 31.823 0.013 0.000 0.641 324 V HN 0.338 nan 8.190 nan 0.000 0.445 325 L N -0.398 120.652 121.223 -0.288 0.000 2.046 325 L HA -0.216 5.786 4.340 2.770 0.000 0.208 325 L C 2.610 179.305 176.870 -0.292 0.000 1.077 325 L CA 1.929 56.393 54.840 -0.626 0.000 0.747 325 L CB -0.581 40.614 42.059 -1.439 0.000 0.896 325 L HN 0.383 nan 8.230 nan 0.000 0.432 326 E N 0.896 121.079 120.200 -0.028 0.000 2.049 326 E HA -0.247 5.765 4.350 2.770 0.000 0.198 326 E C 2.047 178.748 176.600 0.168 0.000 1.007 326 E CA 1.685 58.209 56.400 0.208 0.000 0.809 326 E CB -0.245 29.544 29.700 0.149 0.000 0.749 326 E HN 0.387 nan 8.360 nan 0.000 0.450 327 I N 0.119 120.758 120.570 0.114 0.000 2.127 327 I HA -0.304 5.528 4.170 2.770 0.000 0.241 327 I C 2.371 178.604 176.117 0.193 0.000 1.075 327 I CA 1.153 62.538 61.300 0.143 0.000 1.334 327 I CB -0.294 37.802 38.000 0.160 0.000 1.040 327 I HN 0.191 nan 8.210 nan 0.000 0.405 328 L N 0.181 121.521 121.223 0.194 0.000 2.083 328 L HA -0.141 5.861 4.340 2.770 0.000 0.209 328 L C 2.573 179.665 176.870 0.370 0.000 1.083 328 L CA 1.486 56.510 54.840 0.306 0.000 0.752 328 L CB -1.132 41.002 42.059 0.124 0.000 0.899 328 L HN 0.352 nan 8.230 nan 0.000 0.433 329 G N -0.332 108.664 108.800 0.327 0.000 2.509 329 G HA2 -0.186 5.436 3.960 2.770 0.000 0.218 329 G HA3 -0.186 5.436 3.960 2.770 0.000 0.218 329 G C 1.674 176.728 174.900 0.256 0.000 1.124 329 G CA 0.298 45.629 45.100 0.386 0.000 0.776 329 G HN 0.323 nan 8.290 nan 0.000 0.547 330 K N -0.283 120.243 120.400 0.209 0.000 2.356 330 K HA 0.111 6.094 4.320 2.770 0.000 0.195 330 K C 1.747 178.392 176.600 0.075 0.000 1.037 330 K CA 0.293 56.657 56.287 0.128 0.000 1.014 330 K CB 0.277 32.842 32.500 0.107 0.000 0.815 330 K HN 0.008 nan 8.250 nan 0.000 0.507 331 K N -0.256 120.191 120.400 0.079 0.000 2.354 331 K HA 0.191 6.173 4.320 2.770 0.000 0.194 331 K C -0.039 176.311 176.600 -0.416 0.000 1.038 331 K CA 0.400 56.590 56.287 -0.161 0.000 1.052 331 K CB 0.516 32.889 32.500 -0.213 0.000 0.861 331 K HN -0.048 nan 8.250 nan 0.000 0.535 332 F N 0.966 120.989 119.950 0.121 0.000 2.603 332 F HA 0.337 6.527 4.527 2.772 0.000 0.317 332 F C -2.264 173.601 175.800 0.108 0.000 1.066 332 F CA -2.784 55.296 58.000 0.133 0.000 0.941 332 F CB 1.472 40.557 39.000 0.142 0.000 1.291 332 F HN -0.295 nan 8.300 nan 0.000 0.472 333 P HA 0.138 nan 4.420 nan 0.000 0.267 333 P C -0.634 176.745 177.300 0.132 0.000 1.328 333 P CA 0.065 63.268 63.100 0.172 0.000 0.990 333 P CB 0.130 31.929 31.700 0.165 0.000 1.168 334 V N 3.943 123.929 119.914 0.121 0.000 2.649 334 V HA 0.279 6.061 4.120 2.770 0.000 0.292 334 V C 1.165 177.283 176.094 0.039 0.000 1.055 334 V CA 0.019 62.374 62.300 0.091 0.000 1.023 334 V CB 1.040 32.924 31.823 0.101 0.000 0.992 334 V HN 0.551 nan 8.190 nan 0.000 0.480 335 T N 1.091 115.660 114.554 0.024 0.000 2.937 335 T HA 0.626 6.638 4.350 2.770 0.000 0.283 335 T C -0.554 174.138 174.700 -0.013 0.000 1.012 335 T CA -0.798 61.305 62.100 0.006 0.000 0.997 335 T CB 2.019 70.892 68.868 0.009 0.000 1.136 335 T HN 0.719 nan 8.240 nan 0.000 0.551 336 E N 1.259 121.448 120.200 -0.019 0.000 2.165 336 E HA 0.338 6.350 4.350 2.770 0.000 0.266 336 E C -0.315 176.288 176.600 0.004 0.000 0.889 336 E CA -0.894 55.489 56.400 -0.027 0.000 0.756 336 E CB 0.928 30.594 29.700 -0.056 0.000 1.131 336 E HN 0.737 nan 8.360 nan 0.000 0.411 337 N N 1.822 120.543 118.700 0.036 0.000 2.322 337 N HA -0.054 6.348 4.740 2.770 0.000 0.270 337 N C 0.791 176.333 175.510 0.052 0.000 1.286 337 N CA 0.273 53.354 53.050 0.052 0.000 0.948 337 N CB 0.478 39.011 38.487 0.077 0.000 1.164 337 N HN 0.371 nan 8.380 nan 0.000 0.551 338 S N -1.879 113.852 115.700 0.052 0.000 2.515 338 S HA -0.001 6.131 4.470 2.770 0.000 0.231 338 S C 0.950 175.586 174.600 0.061 0.000 0.987 338 S CA 0.398 58.623 58.200 0.042 0.000 0.936 338 S CB -0.253 62.966 63.200 0.032 0.000 0.766 338 S HN 0.496 nan 8.310 nan 0.000 0.528 339 K N 0.603 121.072 120.400 0.114 0.000 2.374 339 K HA 0.284 6.266 4.320 2.770 0.000 0.196 339 K C 1.322 178.031 176.600 0.181 0.000 1.023 339 K CA 0.621 57.018 56.287 0.183 0.000 1.103 339 K CB 0.124 32.772 32.500 0.246 0.000 0.848 339 K HN 0.576 nan 8.250 nan 0.000 0.528 340 G N 1.036 109.880 108.800 0.073 0.000 2.157 340 G HA2 -0.259 5.363 3.960 2.770 0.000 0.239 340 G HA3 -0.259 5.363 3.960 2.770 0.000 0.239 340 G C -0.373 174.375 174.900 -0.253 0.000 0.982 340 G CA -0.206 44.828 45.100 -0.109 0.000 0.650 340 G HN 0.211 nan 8.290 nan 0.000 0.527 341 Y N 0.672 120.946 120.300 -0.043 0.000 2.419 341 Y HA 0.610 6.837 4.550 2.795 0.000 0.328 341 Y C 1.043 176.891 175.900 -0.087 0.000 1.162 341 Y CA -0.644 57.421 58.100 -0.059 0.000 1.174 341 Y CB 1.034 39.498 38.460 0.006 0.000 1.228 341 Y HN 0.012 nan 8.280 nan 0.000 0.473 342 K N 2.145 122.513 120.400 -0.055 0.000 2.185 342 K HA 0.484 6.466 4.320 2.770 0.000 0.271 342 K C -1.443 175.220 176.600 0.105 0.000 1.013 342 K CA -0.588 55.612 56.287 -0.146 0.000 0.943 342 K CB 0.844 32.947 32.500 -0.662 0.000 0.998 342 K HN 0.375 nan 8.250 nan 0.000 0.468 343 L N 3.629 124.918 121.223 0.111 0.000 2.476 343 L HA 0.332 6.334 4.340 2.770 0.000 0.269 343 L C -1.112 175.830 176.870 0.119 0.000 0.965 343 L CA -0.422 54.504 54.840 0.143 0.000 0.845 343 L CB 1.333 43.436 42.059 0.074 0.000 1.259 343 L HN 0.561 nan 8.230 nan 0.000 0.403 344 L N 5.262 126.557 121.223 0.121 0.000 2.479 344 L HA 0.287 6.289 4.340 2.770 0.000 0.270 344 L C -1.766 175.022 176.870 -0.136 0.000 1.236 344 L CA -1.487 53.356 54.840 0.005 0.000 0.823 344 L CB -0.014 41.996 42.059 -0.081 0.000 1.098 344 L HN 0.506 nan 8.230 nan 0.000 0.500 345 P HA 0.039 nan 4.420 nan 0.000 0.270 345 P C -2.072 174.879 177.300 -0.581 0.000 1.223 345 P CA -1.110 61.687 63.100 -0.504 0.000 0.785 345 P CB -0.053 31.039 31.700 -1.014 0.000 0.923 346 P HA -0.133 nan 4.420 nan 0.000 0.230 346 P C 0.636 177.795 177.300 -0.234 0.000 1.158 346 P CA 1.391 64.343 63.100 -0.246 0.000 0.769 346 P CB -0.384 31.249 31.700 -0.112 0.000 0.807 347 Y N -1.722 118.520 120.300 -0.097 0.000 2.490 347 Y HA 0.519 6.732 4.550 2.773 0.000 0.281 347 Y C 0.452 176.218 175.900 -0.223 0.000 1.174 347 Y CA -1.212 56.809 58.100 -0.133 0.000 1.295 347 Y CB -0.663 37.738 38.460 -0.097 0.000 1.062 347 Y HN -0.227 nan 8.280 nan 0.000 0.522 348 L N 2.152 123.175 121.223 -0.334 0.000 2.406 348 L HA 0.613 6.615 4.340 2.770 0.000 0.270 348 L C -1.208 175.469 176.870 -0.321 0.000 0.982 348 L CA -1.075 53.546 54.840 -0.364 0.000 0.843 348 L CB 1.112 42.844 42.059 -0.544 0.000 1.225 348 L HN 0.030 nan 8.230 nan 0.000 0.412 349 R N 2.877 123.197 120.500 -0.299 0.000 2.905 349 R HA 0.830 6.832 4.340 2.770 0.000 0.260 349 R C -1.476 174.654 176.300 -0.283 0.000 1.086 349 R CA -0.885 55.063 56.100 -0.254 0.000 0.978 349 R CB 2.272 32.451 30.300 -0.201 0.000 1.215 349 R HN 0.350 nan 8.270 nan 0.000 0.480 350 V N 1.463 121.220 119.914 -0.262 0.000 2.735 350 V HA 0.560 6.342 4.120 2.770 0.000 0.310 350 V C -0.409 175.512 176.094 -0.288 0.000 1.061 350 V CA -0.853 61.280 62.300 -0.279 0.000 0.913 350 V CB 2.568 34.221 31.823 -0.283 0.000 1.005 350 V HN 0.595 nan 8.190 nan 0.000 0.428 351 I N 3.042 123.445 120.570 -0.279 0.000 2.478 351 I HA 0.489 6.321 4.170 2.770 0.000 0.287 351 I C -0.875 175.081 176.117 -0.267 0.000 1.042 351 I CA -0.645 60.484 61.300 -0.285 0.000 1.067 351 I CB 1.907 39.778 38.000 -0.215 0.000 1.233 351 I HN 0.737 nan 8.210 nan 0.000 0.431 352 Q N 5.412 125.022 119.800 -0.315 0.000 2.360 352 Q HA 0.460 6.463 4.340 2.770 0.000 0.254 352 Q C 0.198 176.168 176.000 -0.052 0.000 0.975 352 Q CA -0.041 55.662 55.803 -0.166 0.000 0.912 352 Q CB 1.565 30.226 28.738 -0.127 0.000 1.212 352 Q HN 0.765 nan 8.270 nan 0.000 0.452 353 G N 3.009 111.763 108.800 -0.077 0.000 3.324 353 G HA2 0.056 5.678 3.960 2.770 0.000 0.251 353 G HA3 0.056 5.678 3.960 2.770 0.000 0.251 353 G C -0.490 174.397 174.900 -0.022 0.000 1.072 353 G CA -0.183 44.881 45.100 -0.059 0.000 0.787 353 G HN 0.606 nan 8.290 nan 0.000 0.537 354 D N -0.504 119.894 120.400 -0.003 0.000 2.256 354 D HA 0.454 6.756 4.640 2.770 0.000 0.240 354 D C 1.129 177.450 176.300 0.035 0.000 1.062 354 D CA 0.354 54.360 54.000 0.011 0.000 0.832 354 D CB 1.001 41.803 40.800 0.004 0.000 1.135 354 D HN 0.222 nan 8.370 nan 0.000 0.484 355 G N 2.417 111.238 108.800 0.035 0.000 2.160 355 G HA2 -0.198 5.424 3.960 2.770 0.000 0.251 355 G HA3 -0.198 5.424 3.960 2.770 0.000 0.251 355 G C 0.011 174.935 174.900 0.041 0.000 1.008 355 G CA 0.240 45.362 45.100 0.037 0.000 0.724 355 G HN 0.568 nan 8.290 nan 0.000 0.514 356 V N 1.824 121.768 119.914 0.049 0.000 2.406 356 V HA 0.618 6.400 4.120 2.770 0.000 0.272 356 V C 0.220 176.320 176.094 0.010 0.000 1.043 356 V CA 0.262 62.586 62.300 0.040 0.000 0.915 356 V CB 1.353 33.232 31.823 0.094 0.000 0.988 356 V HN 0.649 nan 8.190 nan 0.000 0.466 357 D N 3.094 123.485 120.400 -0.015 0.000 2.752 357 D HA 0.252 6.554 4.640 2.770 0.000 0.313 357 D C 0.894 177.171 176.300 -0.038 0.000 1.225 357 D CA -0.837 53.158 54.000 -0.009 0.000 0.976 357 D CB 1.161 41.975 40.800 0.022 0.000 1.443 357 D HN 0.286 nan 8.370 nan 0.000 0.515 358 I N -0.009 120.559 120.570 -0.003 0.000 2.208 358 I HA -0.262 5.570 4.170 2.770 0.000 0.245 358 I C 1.144 177.233 176.117 -0.047 0.000 1.097 358 I CA 1.385 62.674 61.300 -0.019 0.000 1.363 358 I CB -0.127 37.902 38.000 0.049 0.000 1.051 358 I HN 0.246 nan 8.210 nan 0.000 0.413 359 N N 0.531 119.220 118.700 -0.018 0.000 2.058 359 N HA -0.182 6.220 4.740 2.770 0.000 0.191 359 N C 1.931 177.414 175.510 -0.046 0.000 1.037 359 N CA 2.337 55.373 53.050 -0.023 0.000 0.848 359 N CB -0.926 37.564 38.487 0.004 0.000 1.021 359 N HN 0.544 nan 8.380 nan 0.000 0.422 360 T N 0.096 114.624 114.554 -0.042 0.000 2.821 360 T HA -0.020 5.992 4.350 2.770 0.000 0.267 360 T C 2.040 176.676 174.700 -0.106 0.000 1.046 360 T CA 0.474 62.548 62.100 -0.044 0.000 1.139 360 T CB -0.583 68.280 68.868 -0.007 0.000 0.871 360 T HN 0.137 nan 8.240 nan 0.000 0.454 361 L N 0.659 121.759 121.223 -0.205 0.000 2.043 361 L HA -0.215 5.787 4.340 2.770 0.000 0.212 361 L C 2.899 179.559 176.870 -0.350 0.000 1.075 361 L CA 2.570 57.137 54.840 -0.456 0.000 0.752 361 L CB -0.618 41.115 42.059 -0.542 0.000 0.891 361 L HN 0.406 nan 8.230 nan 0.000 0.432 362 Q N 0.412 120.076 119.800 -0.226 0.000 2.084 362 Q HA -0.260 5.742 4.340 2.770 0.000 0.202 362 Q C 1.895 177.778 176.000 -0.195 0.000 0.978 362 Q CA 2.216 57.895 55.803 -0.207 0.000 0.844 362 Q CB -0.168 28.507 28.738 -0.106 0.000 0.898 362 Q HN 0.570 nan 8.270 nan 0.000 0.426 363 E N -0.166 119.967 120.200 -0.112 0.000 2.110 363 E HA -0.148 5.864 4.350 2.770 0.000 0.193 363 E C 2.020 178.587 176.600 -0.055 0.000 0.988 363 E CA 1.329 57.691 56.400 -0.063 0.000 0.804 363 E CB -0.155 29.532 29.700 -0.022 0.000 0.745 363 E HN 0.464 nan 8.360 nan 0.000 0.458 364 I N 0.900 121.445 120.570 -0.041 0.000 2.133 364 I HA -0.242 5.590 4.170 2.770 0.000 0.238 364 I C 2.670 178.794 176.117 0.012 0.000 1.074 364 I CA 1.000 62.327 61.300 0.045 0.000 1.342 364 I CB -0.559 37.565 38.000 0.207 0.000 1.053 364 I HN 0.071 nan 8.210 nan 0.000 0.404 365 V N -0.414 119.446 119.914 -0.089 0.000 2.392 365 V HA -0.280 5.503 4.120 2.770 0.000 0.249 365 V C 2.368 178.270 176.094 -0.319 0.000 1.059 365 V CA 2.320 64.493 62.300 -0.212 0.000 1.051 365 V CB -0.913 30.661 31.823 -0.415 0.000 0.658 365 V HN 0.460 nan 8.190 nan 0.000 0.455 366 E N 2.039 121.998 120.200 -0.402 0.000 2.072 366 E HA 0.028 6.040 4.350 2.770 0.000 0.190 366 E C 2.192 178.823 176.600 0.052 0.000 0.982 366 E CA 1.773 58.102 56.400 -0.119 0.000 0.803 366 E CB -1.093 28.570 29.700 -0.063 0.000 0.755 366 E HN 0.567 nan 8.360 nan 0.000 0.453 367 G N 0.539 109.357 108.800 0.031 0.000 2.440 367 G HA2 -0.293 5.329 3.960 2.770 0.000 0.218 367 G HA3 -0.293 5.329 3.960 2.770 0.000 0.218 367 G C 1.670 176.654 174.900 0.139 0.000 1.154 367 G CA 1.220 46.369 45.100 0.081 0.000 0.767 367 G HN 0.280 nan 8.290 nan 0.000 0.552 368 M N 0.021 119.704 119.600 0.139 0.000 2.117 368 M HA 0.001 6.143 4.480 2.770 0.000 0.262 368 M C 2.534 179.028 176.300 0.322 0.000 1.065 368 M CA 1.550 56.993 55.300 0.239 0.000 1.114 368 M CB -0.197 32.519 32.600 0.193 0.000 1.361 368 M HN 0.208 nan 8.290 nan 0.000 0.408 369 K N 0.295 120.860 120.400 0.275 0.000 2.057 369 K HA -0.232 5.750 4.320 2.770 0.000 0.207 369 K C 1.944 178.751 176.600 0.346 0.000 1.049 369 K CA 1.621 58.125 56.287 0.361 0.000 0.931 369 K CB -0.023 32.697 32.500 0.366 0.000 0.714 369 K HN 0.209 nan 8.250 nan 0.000 0.440 370 Q N 0.582 120.528 119.800 0.244 0.000 2.135 370 Q HA -0.075 5.927 4.340 2.770 0.000 0.204 370 Q C 1.142 177.231 176.000 0.148 0.000 0.981 370 Q CA 1.527 57.435 55.803 0.175 0.000 0.856 370 Q CB 0.259 29.080 28.738 0.139 0.000 0.902 370 Q HN 0.078 nan 8.270 nan 0.000 0.425 371 K N -0.496 120.024 120.400 0.200 0.000 2.437 371 K HA 0.106 6.088 4.320 2.770 0.000 0.198 371 K C -0.104 176.527 176.600 0.053 0.000 1.024 371 K CA 0.046 56.441 56.287 0.179 0.000 1.148 371 K CB 0.632 33.328 32.500 0.326 0.000 0.860 371 K HN 0.260 nan 8.250 nan 0.000 0.515 372 M N -1.407 118.251 119.600 0.096 0.000 2.732 372 M HA -0.189 5.953 4.480 2.770 0.000 0.207 372 M C -1.159 175.116 176.300 -0.042 0.000 0.513 372 M CA 0.800 56.065 55.300 -0.058 0.000 0.652 372 M CB -2.605 29.799 32.600 -0.327 0.000 2.410 372 M HN 0.169 nan 8.290 nan 0.000 0.660 373 W N 0.552 122.012 121.300 0.266 0.000 2.390 373 W HA 0.572 6.886 4.660 2.758 0.000 0.312 373 W C 0.996 177.647 176.519 0.220 0.000 1.123 373 W CA -0.279 57.188 57.345 0.203 0.000 1.202 373 W CB 1.086 30.612 29.460 0.109 0.000 1.251 373 W HN 0.221 nan 8.180 nan 0.000 0.511 374 S N 2.751 118.699 115.700 0.414 0.000 2.576 374 S HA 0.098 6.230 4.470 2.770 0.000 0.276 374 S C 1.056 175.754 174.600 0.163 0.000 1.339 374 S CA -0.483 57.834 58.200 0.196 0.000 1.039 374 S CB 0.450 63.743 63.200 0.156 0.000 0.902 374 S HN 0.398 nan 8.310 nan 0.000 0.516 375 I N 3.625 124.249 120.570 0.089 0.000 3.111 375 I HA 0.002 5.834 4.170 2.770 0.000 0.272 375 I C 2.023 178.188 176.117 0.079 0.000 1.268 375 I CA 0.816 62.179 61.300 0.105 0.000 1.467 375 I CB -1.693 36.389 38.000 0.135 0.000 1.087 375 I HN 0.751 nan 8.210 nan 0.000 0.467 376 E N 1.107 121.346 120.200 0.065 0.000 2.160 376 E HA -0.239 5.773 4.350 2.770 0.000 0.195 376 E C 1.630 178.240 176.600 0.015 0.000 0.991 376 E CA 1.385 57.811 56.400 0.044 0.000 0.810 376 E CB -0.279 29.445 29.700 0.041 0.000 0.742 376 E HN 0.609 nan 8.360 nan 0.000 0.466 377 N N -0.050 118.665 118.700 0.025 0.000 2.381 377 N HA -0.021 6.381 4.740 2.770 0.000 0.182 377 N C 0.204 175.641 175.510 -0.122 0.000 1.025 377 N CA 0.401 53.429 53.050 -0.036 0.000 0.888 377 N CB 0.281 38.769 38.487 0.001 0.000 0.965 377 N HN 0.076 nan 8.380 nan 0.000 0.438 378 I N -0.542 119.952 120.570 -0.126 0.000 2.646 378 I HA 0.605 6.437 4.170 2.770 0.000 0.299 378 I C -1.276 174.690 176.117 -0.252 0.000 1.036 378 I CA -0.853 60.286 61.300 -0.268 0.000 1.074 378 I CB 1.669 39.453 38.000 -0.360 0.000 1.258 378 I HN -0.117 nan 8.210 nan 0.000 0.430 379 A N 5.187 127.782 122.820 -0.375 0.000 2.532 379 A HA 0.864 6.846 4.320 2.770 0.000 0.290 379 A C -1.773 175.512 177.584 -0.498 0.000 1.143 379 A CA -0.427 51.471 52.037 -0.231 0.000 0.728 379 A CB 0.960 19.941 19.000 -0.033 0.000 1.317 379 A HN 0.502 nan 8.150 nan 0.000 0.414 380 F N -0.366 119.602 119.950 0.029 0.000 2.546 380 F HA 0.646 6.843 4.527 2.783 0.000 0.320 380 F C 0.814 176.664 175.800 0.083 0.000 1.076 380 F CA -0.351 57.659 58.000 0.017 0.000 0.928 380 F CB 2.633 41.625 39.000 -0.012 0.000 1.189 380 F HN 0.744 nan 8.300 nan 0.000 0.465 381 G N 0.370 109.326 108.800 0.259 0.000 2.416 381 G HA2 0.532 6.154 3.960 2.770 0.000 0.329 381 G HA3 0.532 6.154 3.960 2.770 0.000 0.329 381 G C -1.480 173.563 174.900 0.238 0.000 1.173 381 G CA -0.635 44.680 45.100 0.358 0.000 0.929 381 G HN 0.588 nan 8.290 nan 0.000 0.475 382 S N 0.107 115.937 115.700 0.218 0.000 2.547 382 S HA 0.749 6.882 4.470 2.770 0.000 0.281 382 S C 0.653 175.312 174.600 0.097 0.000 1.118 382 S CA 0.131 58.388 58.200 0.094 0.000 0.947 382 S CB 1.581 64.776 63.200 -0.008 0.000 1.053 382 S HN 0.973 nan 8.310 nan 0.000 0.482 383 G N 2.711 111.567 108.800 0.093 0.000 2.583 383 G HA2 0.366 5.988 3.960 2.770 0.000 0.214 383 G HA3 0.366 5.988 3.960 2.770 0.000 0.214 383 G C 1.306 176.244 174.900 0.063 0.000 2.072 383 G CA 0.471 45.630 45.100 0.098 0.000 0.745 383 G HN 0.949 nan 8.290 nan 0.000 0.762 384 G N 0.738 109.579 108.800 0.069 0.000 2.469 384 G HA2 0.020 5.642 3.960 2.770 0.000 0.220 384 G HA3 0.020 5.642 3.960 2.770 0.000 0.220 384 G C 1.762 176.700 174.900 0.062 0.000 1.136 384 G CA 1.694 46.834 45.100 0.067 0.000 0.759 384 G HN 0.790 nan 8.290 nan 0.000 0.562 385 G N 0.444 109.274 108.800 0.049 0.000 2.442 385 G HA2 -0.129 5.493 3.960 2.770 0.000 0.219 385 G HA3 -0.129 5.493 3.960 2.770 0.000 0.219 385 G C 1.704 176.625 174.900 0.034 0.000 1.141 385 G CA 1.099 46.224 45.100 0.043 0.000 0.763 385 G HN 0.425 nan 8.290 nan 0.000 0.554 386 L N -0.614 120.613 121.223 0.006 0.000 2.168 386 L HA 0.390 6.392 4.340 2.770 0.000 0.203 386 L C 2.240 179.105 176.870 -0.008 0.000 1.078 386 L CA 1.197 56.013 54.840 -0.039 0.000 0.780 386 L CB 0.055 42.022 42.059 -0.154 0.000 0.939 386 L HN 0.156 nan 8.230 nan 0.000 0.451 387 L N -1.839 119.406 121.223 0.038 0.000 2.781 387 L HA 0.209 6.211 4.340 2.770 0.000 0.245 387 L C 1.629 178.635 176.870 0.226 0.000 1.118 387 L CA 0.145 55.052 54.840 0.112 0.000 0.918 387 L CB 0.442 42.551 42.059 0.084 0.000 1.246 387 L HN 0.287 nan 8.230 nan 0.000 0.526 388 Q N 0.455 120.353 119.800 0.163 0.000 2.459 388 Q HA 0.062 6.064 4.340 2.770 0.000 0.260 388 Q C 1.041 177.139 176.000 0.163 0.000 0.828 388 Q CA 0.507 56.406 55.803 0.160 0.000 0.987 388 Q CB 0.598 29.397 28.738 0.102 0.000 1.216 388 Q HN 0.034 nan 8.270 nan 0.000 0.558 389 K N 1.349 121.828 120.400 0.131 0.000 2.737 389 K HA 0.287 6.270 4.320 2.770 0.000 0.251 389 K C -1.224 175.459 176.600 0.139 0.000 1.280 389 K CA 0.059 56.414 56.287 0.114 0.000 1.219 389 K CB -0.718 31.832 32.500 0.083 0.000 1.587 389 K HN 0.143 nan 8.250 nan 0.000 0.279 390 L N 0.451 121.798 121.223 0.206 0.000 2.505 390 L HA 0.417 6.419 4.340 2.770 0.000 0.259 390 L C -0.380 176.690 176.870 0.334 0.000 0.952 390 L CA -0.910 54.088 54.840 0.264 0.000 0.840 390 L CB 2.378 44.641 42.059 0.340 0.000 1.358 390 L HN 0.269 nan 8.230 nan 0.000 0.409 391 T N -2.726 111.907 114.554 0.132 0.000 2.865 391 T HA 0.420 6.432 4.350 2.770 0.000 0.294 391 T C 0.568 174.885 174.700 -0.638 0.000 1.119 391 T CA -0.799 61.128 62.100 -0.289 0.000 1.007 391 T CB 2.150 70.889 68.868 -0.215 0.000 1.225 391 T HN 0.600 nan 8.240 nan 0.000 0.515 392 R N -0.201 119.567 120.500 -1.220 0.000 2.193 392 R HA -0.079 5.923 4.340 2.770 0.000 0.229 392 R C 1.081 177.180 176.300 -0.335 0.000 1.110 392 R CA 1.474 57.042 56.100 -0.886 0.000 0.988 392 R CB -0.303 29.441 30.300 -0.926 0.000 0.871 392 R HN 0.623 nan 8.270 nan 0.000 0.458 393 D N 0.192 120.430 120.400 -0.270 0.000 2.183 393 D HA -0.135 6.167 4.640 2.770 0.000 0.203 393 D C 1.671 177.916 176.300 -0.091 0.000 0.969 393 D CA 0.529 54.442 54.000 -0.144 0.000 0.842 393 D CB -0.006 40.726 40.800 -0.113 0.000 0.957 393 D HN 0.104 nan 8.370 nan 0.000 0.484 394 L N 0.098 121.264 121.223 -0.094 0.000 2.043 394 L HA -0.120 5.882 4.340 2.770 0.000 0.212 394 L C 1.660 178.470 176.870 -0.100 0.000 1.075 394 L CA 1.647 56.427 54.840 -0.101 0.000 0.752 394 L CB -0.062 41.903 42.059 -0.157 0.000 0.891 394 L HN 0.037 nan 8.230 nan 0.000 0.432 395 L N -0.966 120.223 121.223 -0.057 0.000 2.857 395 L HA 0.235 6.238 4.340 2.770 0.000 0.249 395 L C 0.182 177.046 176.870 -0.009 0.000 1.172 395 L CA -0.262 54.571 54.840 -0.011 0.000 0.980 395 L CB -0.133 41.948 42.059 0.037 0.000 1.299 395 L HN 0.210 nan 8.230 nan 0.000 0.535 396 N N 0.200 118.876 118.700 -0.041 0.000 2.714 396 N HA -0.176 6.226 4.740 2.770 0.000 0.252 396 N C -0.105 175.333 175.510 -0.119 0.000 1.014 396 N CA 0.542 53.549 53.050 -0.072 0.000 0.735 396 N CB -1.754 36.702 38.487 -0.052 0.000 0.924 396 N HN 0.297 nan 8.380 nan 0.000 0.540 397 C N 0.675 119.917 119.300 -0.098 0.000 2.633 397 C HA 0.381 6.503 4.460 2.770 0.000 0.415 397 C C 1.288 176.094 174.990 -0.306 0.000 1.393 397 C CA -0.041 58.856 59.018 -0.202 0.000 1.700 397 C CB 0.044 27.904 27.740 0.201 0.000 2.541 397 C HN 0.497 nan 8.230 nan 0.000 0.603 398 S N 2.473 117.794 115.700 -0.632 0.000 2.543 398 S HA 0.651 6.783 4.470 2.770 0.000 0.273 398 S C -1.347 172.982 174.600 -0.451 0.000 1.152 398 S CA -0.444 57.531 58.200 -0.375 0.000 0.910 398 S CB 0.833 63.871 63.200 -0.270 0.000 1.105 398 S HN 0.591 nan 8.310 nan 0.000 0.465 399 F N 4.739 124.501 119.950 -0.313 0.000 2.493 399 F HA 0.755 6.943 4.527 2.769 0.000 0.329 399 F C -0.506 175.155 175.800 -0.232 0.000 1.126 399 F CA -0.375 57.468 58.000 -0.261 0.000 0.937 399 F CB 0.920 39.941 39.000 0.036 0.000 1.146 399 F HN 0.386 nan 8.300 nan 0.000 0.442 400 K N 5.035 125.130 120.400 -0.509 0.000 2.508 400 K HA 0.276 6.258 4.320 2.770 0.000 0.260 400 K C -1.492 175.021 176.600 -0.146 0.000 0.949 400 K CA -0.658 55.506 56.287 -0.206 0.000 0.834 400 K CB 1.756 34.169 32.500 -0.144 0.000 1.365 400 K HN 0.742 nan 8.250 nan 0.000 0.437 401 C N 2.120 121.457 119.300 0.062 0.000 2.585 401 C HA 0.254 6.376 4.460 2.770 0.000 0.406 401 C C 1.626 176.767 174.990 0.251 0.000 1.312 401 C CA 0.358 59.470 59.018 0.156 0.000 1.924 401 C CB -1.046 26.814 27.740 0.200 0.000 2.578 401 C HN 0.860 nan 8.230 nan 0.000 0.580 402 S N 3.433 119.345 115.700 0.353 0.000 2.559 402 S HA 0.236 6.368 4.470 2.770 0.000 0.226 402 S C -0.316 174.509 174.600 0.375 0.000 1.030 402 S CA -0.162 58.255 58.200 0.360 0.000 0.956 402 S CB 0.050 63.435 63.200 0.310 0.000 0.900 402 S HN 0.972 nan 8.310 nan 0.000 0.510 403 Y N 0.197 120.627 120.300 0.217 0.000 2.480 403 Y HA 0.649 6.861 4.550 2.770 0.000 0.329 403 Y C -1.624 174.337 175.900 0.102 0.000 1.127 403 Y CA -0.945 57.204 58.100 0.082 0.000 1.037 403 Y CB 1.743 40.115 38.460 -0.146 0.000 1.320 403 Y HN 0.083 nan 8.280 nan 0.000 0.446 404 V N 6.086 125.740 119.914 -0.433 0.000 2.962 404 V HA 0.801 6.583 4.120 2.770 0.000 0.313 404 V C -1.798 173.930 176.094 -0.611 0.000 1.099 404 V CA -0.697 61.380 62.300 -0.371 0.000 0.971 404 V CB 2.339 34.077 31.823 -0.142 0.000 1.028 404 V HN 0.625 nan 8.190 nan 0.000 0.430 405 V N 4.245 123.939 119.914 -0.367 0.000 2.378 405 V HA 0.599 6.381 4.120 2.770 0.000 0.288 405 V C -0.123 175.869 176.094 -0.170 0.000 1.016 405 V CA -0.212 61.928 62.300 -0.268 0.000 0.840 405 V CB 1.685 33.410 31.823 -0.163 0.000 0.994 405 V HN 0.991 nan 8.190 nan 0.000 0.431 406 T N 4.332 118.798 114.554 -0.145 0.000 2.841 406 T HA 0.392 6.404 4.350 2.770 0.000 0.285 406 T C 0.323 174.971 174.700 -0.086 0.000 0.991 406 T CA -0.459 61.572 62.100 -0.115 0.000 0.966 406 T CB 0.841 69.650 68.868 -0.098 0.000 0.962 406 T HN 0.681 nan 8.240 nan 0.000 0.438 407 N N 1.927 120.581 118.700 -0.078 0.000 2.727 407 N HA -0.233 6.169 4.740 2.770 0.000 0.249 407 N C 1.164 176.647 175.510 -0.045 0.000 1.048 407 N CA 1.484 54.501 53.050 -0.056 0.000 0.714 407 N CB -1.122 37.337 38.487 -0.047 0.000 0.959 407 N HN 1.328 nan 8.380 nan 0.000 0.544 408 G N -1.622 107.150 108.800 -0.047 0.000 2.196 408 G HA2 -0.315 5.307 3.960 2.770 0.000 0.268 408 G HA3 -0.315 5.307 3.960 2.770 0.000 0.268 408 G C 0.012 174.893 174.900 -0.030 0.000 0.975 408 G CA 0.675 45.756 45.100 -0.032 0.000 0.648 408 G HN 0.399 nan 8.290 nan 0.000 0.538 409 L N 1.074 122.268 121.223 -0.048 0.000 2.296 409 L HA 0.592 6.594 4.340 2.770 0.000 0.286 409 L C 1.112 177.925 176.870 -0.094 0.000 1.023 409 L CA 0.031 54.844 54.840 -0.045 0.000 0.812 409 L CB 1.278 43.313 42.059 -0.039 0.000 1.223 409 L HN 0.170 nan 8.230 nan 0.000 0.421 410 G N 4.473 113.231 108.800 -0.070 0.000 2.380 410 G HA2 0.516 6.138 3.960 2.770 0.000 0.262 410 G HA3 0.516 6.138 3.960 2.770 0.000 0.262 410 G C -0.329 174.494 174.900 -0.128 0.000 1.243 410 G CA -0.300 44.685 45.100 -0.192 0.000 0.865 410 G HN 0.657 nan 8.290 nan 0.000 0.513 411 I N -0.368 120.047 120.570 -0.258 0.000 2.646 411 I HA 0.526 6.358 4.170 2.770 0.000 0.299 411 I C -0.987 175.140 176.117 0.017 0.000 1.036 411 I CA -1.461 59.799 61.300 -0.066 0.000 1.074 411 I CB 2.484 40.457 38.000 -0.046 0.000 1.258 411 I HN 0.146 nan 8.210 nan 0.000 0.430 412 N N 5.354 124.138 118.700 0.141 0.000 2.419 412 N HA 0.417 6.819 4.740 2.770 0.000 0.264 412 N C -0.401 175.265 175.510 0.260 0.000 1.031 412 N CA -0.308 52.877 53.050 0.224 0.000 0.951 412 N CB 1.876 40.473 38.487 0.182 0.000 1.101 412 N HN 0.634 nan 8.380 nan 0.000 0.488 413 V N 0.098 120.167 119.914 0.258 0.000 2.769 413 V HA 0.961 6.743 4.120 2.770 0.000 0.312 413 V C -0.591 175.699 176.094 0.326 0.000 1.058 413 V CA -0.792 61.631 62.300 0.204 0.000 0.952 413 V CB 1.204 33.073 31.823 0.078 0.000 1.019 413 V HN 0.551 nan 8.190 nan 0.000 0.445 414 F N 0.531 120.528 119.950 0.078 0.000 2.770 414 F HA 0.787 6.976 4.527 2.770 0.000 0.313 414 F C -0.936 174.901 175.800 0.062 0.000 1.154 414 F CA -1.237 56.811 58.000 0.080 0.000 0.923 414 F CB 1.440 40.478 39.000 0.063 0.000 1.301 414 F HN 0.819 nan 8.300 nan 0.000 0.449 415 K N 0.131 120.602 120.400 0.118 0.000 2.221 415 K HA 0.732 6.714 4.320 2.770 0.000 0.243 415 K C -1.743 175.003 176.600 0.243 0.000 0.968 415 K CA -0.726 55.591 56.287 0.051 0.000 0.846 415 K CB 2.202 34.725 32.500 0.038 0.000 1.141 415 K HN 0.714 nan 8.250 nan 0.000 0.434 416 D N 1.613 122.115 120.400 0.170 0.000 3.250 416 D HA 0.267 6.569 4.640 2.770 0.000 0.252 416 D C -2.628 173.735 176.300 0.105 0.000 1.342 416 D CA -1.089 53.029 54.000 0.196 0.000 0.807 416 D CB 0.619 41.628 40.800 0.348 0.000 1.449 416 D HN 0.374 nan 8.370 nan 0.000 0.610 417 P HA 0.034 nan 4.420 nan 0.000 0.267 417 P C 1.269 178.593 177.300 0.040 0.000 1.205 417 P CA -0.442 62.682 63.100 0.041 0.000 0.765 417 P CB 1.500 33.218 31.700 0.029 0.000 0.828 418 V N 3.702 123.635 119.914 0.032 0.000 2.278 418 V HA -0.323 5.459 4.120 2.770 0.000 0.251 418 V C 1.815 177.923 176.094 0.023 0.000 1.062 418 V CA 2.837 65.154 62.300 0.029 0.000 1.038 418 V CB -1.001 30.835 31.823 0.022 0.000 0.646 418 V HN 0.704 nan 8.190 nan 0.000 0.447 419 A N -1.400 121.431 122.820 0.018 0.000 2.251 419 A HA 0.131 6.113 4.320 2.770 0.000 0.209 419 A C 0.802 178.395 177.584 0.015 0.000 1.187 419 A CA 0.926 52.971 52.037 0.014 0.000 0.823 419 A CB -0.166 18.840 19.000 0.010 0.000 0.846 419 A HN 0.641 nan 8.150 nan 0.000 0.486 420 D N -1.643 118.769 120.400 0.019 0.000 2.411 420 D HA 0.283 6.585 4.640 2.770 0.000 0.239 420 D C -2.450 173.865 176.300 0.025 0.000 1.307 420 D CA -1.322 52.689 54.000 0.018 0.000 0.930 420 D CB 1.167 41.975 40.800 0.013 0.000 1.395 420 D HN -0.120 nan 8.370 nan 0.000 0.536 421 P HA -0.094 nan 4.420 nan 0.000 0.218 421 P C 1.070 178.386 177.300 0.028 0.000 1.146 421 P CA 0.692 63.809 63.100 0.029 0.000 0.813 421 P CB 0.335 32.048 31.700 0.022 0.000 0.778 422 N N -0.368 118.345 118.700 0.022 0.000 2.348 422 N HA -0.132 6.270 4.740 2.770 0.000 0.185 422 N C 1.140 176.661 175.510 0.020 0.000 1.019 422 N CA 1.062 54.123 53.050 0.019 0.000 0.880 422 N CB -0.329 38.165 38.487 0.013 0.000 0.965 422 N HN 0.335 nan 8.380 nan 0.000 0.437 423 K N 0.391 120.806 120.400 0.025 0.000 2.374 423 K HA 0.096 6.078 4.320 2.770 0.000 0.196 423 K C 0.505 177.139 176.600 0.056 0.000 1.023 423 K CA -0.305 55.999 56.287 0.028 0.000 1.103 423 K CB 0.629 33.142 32.500 0.021 0.000 0.848 423 K HN 0.081 nan 8.250 nan 0.000 0.528 424 R N 2.403 122.944 120.500 0.068 0.000 2.538 424 R HA -0.022 5.980 4.340 2.770 0.000 0.282 424 R C -0.069 176.303 176.300 0.119 0.000 1.009 424 R CA 0.239 56.403 56.100 0.106 0.000 1.063 424 R CB 0.455 30.802 30.300 0.078 0.000 0.945 424 R HN 0.062 nan 8.270 nan 0.000 0.414 425 S N 3.158 118.967 115.700 0.182 0.000 2.722 425 S HA 0.382 6.514 4.470 2.770 0.000 0.292 425 S C -0.492 174.237 174.600 0.215 0.000 1.135 425 S CA -0.959 57.378 58.200 0.228 0.000 1.003 425 S CB 1.607 64.959 63.200 0.252 0.000 1.067 425 S HN 0.580 nan 8.310 nan 0.000 0.546 426 K N 0.622 121.148 120.400 0.210 0.000 2.126 426 K HA 0.349 6.331 4.320 2.770 0.000 0.257 426 K C -0.450 176.170 176.600 0.033 0.000 1.007 426 K CA -0.396 55.879 56.287 -0.020 0.000 0.928 426 K CB 0.555 32.861 32.500 -0.323 0.000 1.013 426 K HN 0.515 nan 8.250 nan 0.000 0.473 427 K N 0.810 121.193 120.400 -0.029 0.000 2.221 427 K HA 0.484 6.466 4.320 2.770 0.000 0.258 427 K C -0.010 176.595 176.600 0.009 0.000 0.944 427 K CA -0.605 55.713 56.287 0.053 0.000 0.823 427 K CB 1.804 34.289 32.500 -0.025 0.000 1.113 427 K HN 0.814 nan 8.250 nan 0.000 0.431 428 G N 1.778 110.632 108.800 0.091 0.000 2.725 428 G HA2 -0.266 5.356 3.960 2.770 0.000 0.220 428 G HA3 -0.266 5.356 3.960 2.770 0.000 0.220 428 G C -0.906 173.872 174.900 -0.204 0.000 1.357 428 G CA -0.825 44.282 45.100 0.013 0.000 0.866 428 G HN 0.606 nan 8.290 nan 0.000 0.548 429 R N -0.716 119.452 120.500 -0.553 0.000 2.543 429 R HA 0.558 6.560 4.340 2.770 0.000 0.277 429 R C 0.338 176.476 176.300 -0.270 0.000 1.074 429 R CA -0.051 55.617 56.100 -0.721 0.000 1.076 429 R CB 0.345 30.080 30.300 -0.942 0.000 0.993 429 R HN 0.445 nan 8.270 nan 0.000 0.459 430 L N 1.121 122.309 121.223 -0.060 0.000 2.341 430 L HA 0.581 6.583 4.340 2.770 0.000 0.267 430 L C -0.244 176.616 176.870 -0.016 0.000 1.009 430 L CA -0.763 54.047 54.840 -0.051 0.000 0.819 430 L CB 2.193 44.190 42.059 -0.102 0.000 1.323 430 L HN 0.778 nan 8.230 nan 0.000 0.425 431 S N 1.373 117.050 115.700 -0.038 0.000 2.556 431 S HA 0.713 6.845 4.470 2.770 0.000 0.271 431 S C -1.348 173.148 174.600 -0.174 0.000 1.135 431 S CA -0.795 57.349 58.200 -0.093 0.000 0.858 431 S CB 2.328 65.529 63.200 0.002 0.000 1.114 431 S HN 0.423 nan 8.310 nan 0.000 0.468 432 L N 2.463 123.470 121.223 -0.359 0.000 2.322 432 L HA 0.662 6.664 4.340 2.770 0.000 0.281 432 L C -1.038 175.529 176.870 -0.505 0.000 1.014 432 L CA 0.075 54.759 54.840 -0.260 0.000 0.815 432 L CB 0.893 42.881 42.059 -0.118 0.000 1.247 432 L HN 0.896 nan 8.230 nan 0.000 0.421 433 H N 2.949 122.038 119.070 0.033 0.000 2.821 433 H HA 0.448 6.666 4.556 2.770 0.000 0.373 433 H C -0.761 174.591 175.328 0.040 0.000 1.165 433 H CA -1.131 54.937 56.048 0.033 0.000 1.154 433 H CB 1.787 31.521 29.762 -0.046 0.000 1.765 433 H HN 0.363 nan 8.280 nan 0.000 0.549 434 R N 1.625 122.201 120.500 0.127 0.000 2.442 434 R HA 0.109 6.111 4.340 2.770 0.000 0.291 434 R C 0.074 176.424 176.300 0.084 0.000 1.069 434 R CA -0.142 55.924 56.100 -0.056 0.000 1.022 434 R CB 0.079 30.355 30.300 -0.040 0.000 0.976 434 R HN 0.800 nan 8.270 nan 0.000 0.443 435 T N 1.835 116.403 114.554 0.023 0.000 2.828 435 T HA 0.266 6.278 4.350 2.770 0.000 0.290 435 T C -1.536 173.197 174.700 0.055 0.000 1.019 435 T CA -1.458 60.728 62.100 0.145 0.000 1.031 435 T CB 0.919 69.852 68.868 0.108 0.000 1.001 435 T HN 0.375 nan 8.240 nan 0.000 0.531 436 P HA -0.024 nan 4.420 nan 0.000 0.216 436 P C 1.301 178.589 177.300 -0.020 0.000 1.150 436 P CA 1.329 64.419 63.100 -0.017 0.000 0.843 436 P CB -0.271 31.400 31.700 -0.047 0.000 0.787 437 A N -1.302 121.510 122.820 -0.013 0.000 2.238 437 A HA 0.418 6.400 4.320 2.770 0.000 0.208 437 A C 1.574 179.132 177.584 -0.044 0.000 1.177 437 A CA 0.765 52.789 52.037 -0.022 0.000 0.804 437 A CB -1.249 17.745 19.000 -0.010 0.000 0.823 437 A HN 0.262 nan 8.150 nan 0.000 0.482 438 G N -0.707 108.051 108.800 -0.070 0.000 2.132 438 G HA2 -0.257 5.365 3.960 2.770 0.000 0.234 438 G HA3 -0.257 5.365 3.960 2.770 0.000 0.234 438 G C 0.020 174.785 174.900 -0.226 0.000 0.989 438 G CA 0.299 45.319 45.100 -0.134 0.000 0.676 438 G HN 0.671 nan 8.290 nan 0.000 0.522 439 N N -1.082 117.508 118.700 -0.183 0.000 2.531 439 N HA 0.784 7.186 4.740 2.770 0.000 0.301 439 N C -0.428 174.849 175.510 -0.388 0.000 1.310 439 N CA -0.596 52.338 53.050 -0.193 0.000 0.949 439 N CB 0.482 38.967 38.487 -0.003 0.000 1.111 439 N HN 0.081 nan 8.380 nan 0.000 0.565 440 F N -0.056 119.921 119.950 0.044 0.000 2.508 440 F HA 0.626 6.814 4.527 2.768 0.000 0.325 440 F C -0.205 175.601 175.800 0.010 0.000 1.090 440 F CA -0.842 57.181 58.000 0.039 0.000 0.945 440 F CB 1.620 40.644 39.000 0.039 0.000 1.156 440 F HN -0.022 nan 8.300 nan 0.000 0.463 441 V N 1.701 121.698 119.914 0.138 0.000 2.841 441 V HA 0.577 6.359 4.120 2.770 0.000 0.310 441 V C -0.913 175.178 176.094 -0.004 0.000 1.090 441 V CA -0.259 62.045 62.300 0.007 0.000 0.930 441 V CB 2.397 34.120 31.823 -0.166 0.000 1.014 441 V HN 0.777 nan 8.190 nan 0.000 0.425 442 T N 7.827 122.362 114.554 -0.031 0.000 2.743 442 T HA 0.526 6.538 4.350 2.770 0.000 0.292 442 T C -0.264 174.385 174.700 -0.086 0.000 0.972 442 T CA -0.113 61.957 62.100 -0.050 0.000 0.967 442 T CB 0.453 69.279 68.868 -0.070 0.000 0.926 442 T HN 0.505 nan 8.240 nan 0.000 0.459 443 L N 3.805 124.993 121.223 -0.059 0.000 2.326 443 L HA 0.444 6.446 4.340 2.770 0.000 0.278 443 L C 0.804 177.619 176.870 -0.091 0.000 1.092 443 L CA -0.551 54.234 54.840 -0.091 0.000 0.810 443 L CB 0.874 42.878 42.059 -0.091 0.000 1.153 443 L HN 0.571 nan 8.230 nan 0.000 0.439 444 E N 1.681 121.818 120.200 -0.104 0.000 2.239 444 E HA 0.270 6.283 4.350 2.770 0.000 0.261 444 E C -0.406 176.132 176.600 -0.104 0.000 1.016 444 E CA -0.749 55.581 56.400 -0.117 0.000 0.882 444 E CB 1.016 30.645 29.700 -0.119 0.000 1.190 444 E HN 0.494 nan 8.360 nan 0.000 0.415 445 E N -0.278 119.856 120.200 -0.110 0.000 2.637 445 E HA -0.263 5.749 4.350 2.770 0.000 0.265 445 E C 0.431 176.959 176.600 -0.120 0.000 1.073 445 E CA 0.233 56.577 56.400 -0.094 0.000 0.778 445 E CB -1.777 27.887 29.700 -0.059 0.000 1.362 445 E HN 0.989 nan 8.360 nan 0.000 0.413 446 G N 0.194 108.890 108.800 -0.173 0.000 2.187 446 G HA2 -0.426 5.196 3.960 2.770 0.000 0.261 446 G HA3 -0.426 5.196 3.960 2.770 0.000 0.261 446 G C 0.762 175.605 174.900 -0.094 0.000 1.000 446 G CA 0.992 45.990 45.100 -0.171 0.000 0.718 446 G HN 0.401 nan 8.290 nan 0.000 0.519 447 K N 0.001 120.358 120.400 -0.072 0.000 2.442 447 K HA 0.036 6.018 4.320 2.770 0.000 0.198 447 K C 2.651 179.229 176.600 -0.036 0.000 1.042 447 K CA 0.660 56.919 56.287 -0.046 0.000 0.958 447 K CB -0.236 32.239 32.500 -0.041 0.000 0.766 447 K HN 0.397 nan 8.250 nan 0.000 0.474 448 G N 1.855 110.643 108.800 -0.019 0.000 2.479 448 G HA2 -0.244 5.378 3.960 2.770 0.000 0.220 448 G HA3 -0.244 5.378 3.960 2.770 0.000 0.220 448 G C 0.920 175.831 174.900 0.018 0.000 1.115 448 G CA 0.788 45.904 45.100 0.027 0.000 0.757 448 G HN 0.241 nan 8.290 nan 0.000 0.560 449 D N 0.406 120.803 120.400 -0.005 0.000 2.269 449 D HA -0.023 6.279 4.640 2.770 0.000 0.208 449 D C 2.494 178.790 176.300 -0.007 0.000 0.963 449 D CA 0.248 54.244 54.000 -0.006 0.000 0.864 449 D CB -0.075 40.710 40.800 -0.025 0.000 0.936 449 D HN 0.332 nan 8.370 nan 0.000 0.505 450 L N 0.345 121.560 121.223 -0.013 0.000 2.362 450 L HA -0.057 5.945 4.340 2.770 0.000 0.219 450 L C 0.361 177.222 176.870 -0.014 0.000 1.134 450 L CA 0.504 55.336 54.840 -0.014 0.000 0.807 450 L CB -0.503 41.548 42.059 -0.014 0.000 0.927 450 L HN 0.007 nan 8.230 nan 0.000 0.447 451 E N -0.253 119.940 120.200 -0.012 0.000 2.476 451 E HA -0.260 5.752 4.350 2.770 0.000 0.251 451 E C 0.599 177.181 176.600 -0.030 0.000 1.130 451 E CA 0.496 56.892 56.400 -0.008 0.000 0.736 451 E CB -1.055 28.648 29.700 0.006 0.000 1.298 451 E HN 0.604 nan 8.360 nan 0.000 0.400 452 E N -0.970 119.204 120.200 -0.044 0.000 2.478 452 E HA -0.051 5.961 4.350 2.770 0.000 0.194 452 E C 0.465 176.929 176.600 -0.226 0.000 1.045 452 E CA 0.537 56.864 56.400 -0.122 0.000 0.868 452 E CB 0.245 29.866 29.700 -0.132 0.000 0.885 452 E HN 0.391 nan 8.360 nan 0.000 0.505 453 Y N -0.014 120.173 120.300 -0.190 0.000 2.721 453 Y HA 0.260 6.472 4.550 2.770 0.000 0.251 453 Y C 0.772 176.624 175.900 -0.080 0.000 1.136 453 Y CA 0.063 58.043 58.100 -0.201 0.000 1.142 453 Y CB 1.174 39.376 38.460 -0.431 0.000 1.212 453 Y HN 0.056 nan 8.280 nan 0.000 0.565 454 G N 0.930 109.788 108.800 0.096 0.000 2.697 454 G HA2 -0.337 5.285 3.960 2.770 0.000 0.240 454 G HA3 -0.337 5.285 3.960 2.770 0.000 0.240 454 G C -0.399 174.654 174.900 0.255 0.000 1.346 454 G CA -0.412 44.774 45.100 0.143 0.000 0.887 454 G HN 0.295 nan 8.290 nan 0.000 0.569 455 Q N 0.177 120.098 119.800 0.202 0.000 2.361 455 Q HA 0.392 6.394 4.340 2.770 0.000 0.276 455 Q C 0.321 176.389 176.000 0.113 0.000 1.022 455 Q CA 0.516 56.413 55.803 0.158 0.000 0.898 455 Q CB 0.738 29.541 28.738 0.108 0.000 1.246 455 Q HN 0.682 nan 8.270 nan 0.000 0.410 456 D N 3.296 123.686 120.400 -0.017 0.000 2.401 456 D HA -0.026 6.276 4.640 2.770 0.000 0.254 456 D C 0.343 176.466 176.300 -0.295 0.000 1.192 456 D CA 0.298 54.113 54.000 -0.309 0.000 0.885 456 D CB 0.570 41.254 40.800 -0.192 0.000 1.147 456 D HN 0.724 nan 8.370 nan 0.000 0.478 457 L N 3.262 124.310 121.223 -0.292 0.000 2.478 457 L HA 0.031 6.034 4.340 2.770 0.000 0.223 457 L C 0.816 177.446 176.870 -0.400 0.000 1.140 457 L CA 0.167 54.870 54.840 -0.229 0.000 0.842 457 L CB -0.389 41.677 42.059 0.012 0.000 0.953 457 L HN 0.289 nan 8.230 nan 0.000 0.452 458 L N -0.110 120.895 121.223 -0.362 0.000 2.367 458 L HA 0.182 6.184 4.340 2.770 0.000 0.275 458 L C -0.453 176.182 176.870 -0.392 0.000 1.129 458 L CA -0.103 54.570 54.840 -0.279 0.000 0.839 458 L CB 0.317 42.289 42.059 -0.146 0.000 1.133 458 L HN 0.087 nan 8.230 nan 0.000 0.453 459 H N 0.027 119.101 119.070 0.007 0.000 2.572 459 H HA 0.277 6.495 4.556 2.770 0.000 0.359 459 H C -0.333 175.036 175.328 0.068 0.000 1.134 459 H CA -0.670 55.403 56.048 0.043 0.000 1.187 459 H CB 1.634 31.436 29.762 0.066 0.000 1.597 459 H HN 0.481 nan 8.280 nan 0.000 0.524 460 T N 2.311 116.975 114.554 0.184 0.000 2.829 460 T HA 0.074 6.086 4.350 2.770 0.000 0.293 460 T C 1.347 176.139 174.700 0.153 0.000 0.970 460 T CA 0.167 62.354 62.100 0.145 0.000 1.168 460 T CB 0.183 69.113 68.868 0.104 0.000 0.911 460 T HN 0.572 nan 8.240 nan 0.000 0.535 461 V N 1.074 121.090 119.914 0.170 0.000 3.612 461 V HA 0.565 6.347 4.120 2.770 0.000 0.268 461 V C -0.048 176.166 176.094 0.199 0.000 1.365 461 V CA -0.146 62.256 62.300 0.170 0.000 1.044 461 V CB -0.268 31.675 31.823 0.201 0.000 0.820 461 V HN 0.656 nan 8.190 nan 0.000 0.444 462 F N 1.145 121.114 119.950 0.031 0.000 2.588 462 F HA 0.754 6.943 4.527 2.770 0.000 0.314 462 F C -0.827 174.985 175.800 0.020 0.000 1.134 462 F CA -0.748 57.261 58.000 0.015 0.000 0.961 462 F CB 1.843 40.845 39.000 0.004 0.000 1.239 462 F HN -0.043 nan 8.300 nan 0.000 0.448 463 K N 4.963 125.133 120.400 -0.384 0.000 2.616 463 K HA 0.311 6.293 4.320 2.770 0.000 0.255 463 K C -0.834 175.527 176.600 -0.399 0.000 0.995 463 K CA -0.551 55.610 56.287 -0.209 0.000 0.860 463 K CB 1.052 33.502 32.500 -0.083 0.000 1.264 463 K HN 0.862 nan 8.250 nan 0.000 0.451 464 N N 2.896 121.439 118.700 -0.262 0.000 2.738 464 N HA -0.252 6.150 4.740 2.770 0.000 0.249 464 N C 0.396 175.793 175.510 -0.188 0.000 1.047 464 N CA 0.723 53.657 53.050 -0.192 0.000 0.707 464 N CB -0.747 37.658 38.487 -0.137 0.000 0.937 464 N HN 1.063 nan 8.380 nan 0.000 0.545 465 G N -1.373 107.178 108.800 -0.415 0.000 2.176 465 G HA2 -0.332 5.290 3.960 2.770 0.000 0.253 465 G HA3 -0.332 5.290 3.960 2.770 0.000 0.253 465 G C -0.050 174.645 174.900 -0.343 0.000 0.979 465 G CA 0.743 45.726 45.100 -0.194 0.000 0.641 465 G HN 0.373 nan 8.290 nan 0.000 0.530 466 K N 0.168 120.213 120.400 -0.592 0.000 2.270 466 K HA 0.668 6.650 4.320 2.770 0.000 0.255 466 K C 0.165 176.496 176.600 -0.450 0.000 0.936 466 K CA -0.660 55.407 56.287 -0.367 0.000 0.809 466 K CB 2.582 34.966 32.500 -0.192 0.000 1.131 466 K HN 0.096 nan 8.250 nan 0.000 0.427 467 V N 3.252 123.064 119.914 -0.170 0.000 2.470 467 V HA 0.036 5.818 4.120 2.770 0.000 0.276 467 V C 1.092 177.151 176.094 -0.059 0.000 1.040 467 V CA 0.349 62.627 62.300 -0.037 0.000 1.008 467 V CB 0.695 32.533 31.823 0.026 0.000 0.990 467 V HN 1.066 nan 8.190 nan 0.000 0.477 468 T N 1.040 115.573 114.554 -0.036 0.000 2.990 468 T HA 0.240 6.252 4.350 2.770 0.000 0.250 468 T C 0.425 175.099 174.700 -0.044 0.000 1.041 468 T CA -0.178 61.896 62.100 -0.042 0.000 1.010 468 T CB 0.259 69.109 68.868 -0.031 0.000 1.003 468 T HN 0.427 nan 8.240 nan 0.000 0.499 469 K N 1.101 121.477 120.400 -0.041 0.000 2.588 469 K HA 0.603 6.586 4.320 2.770 0.000 0.250 469 K C -1.604 174.898 176.600 -0.163 0.000 0.972 469 K CA -0.293 55.918 56.287 -0.126 0.000 0.821 469 K CB 2.130 34.566 32.500 -0.106 0.000 1.249 469 K HN 0.035 nan 8.250 nan 0.000 0.442 470 S N 2.614 118.151 115.700 -0.273 0.000 2.621 470 S HA 0.630 6.763 4.470 2.770 0.000 0.302 470 S C -1.352 172.953 174.600 -0.493 0.000 1.093 470 S CA -0.552 57.517 58.200 -0.218 0.000 1.017 470 S CB 0.529 63.671 63.200 -0.096 0.000 1.077 470 S HN 0.444 nan 8.310 nan 0.000 0.517 471 Y N 0.915 121.292 120.300 0.129 0.000 2.409 471 Y HA 0.447 6.660 4.550 2.772 0.000 0.343 471 Y C 0.794 176.846 175.900 0.254 0.000 0.973 471 Y CA -0.893 57.310 58.100 0.171 0.000 1.064 471 Y CB 1.394 39.971 38.460 0.194 0.000 1.207 471 Y HN 0.714 nan 8.280 nan 0.000 0.452 472 S N 1.326 117.212 115.700 0.309 0.000 2.600 472 S HA 0.103 6.235 4.470 2.770 0.000 0.265 472 S C 0.660 175.475 174.600 0.358 0.000 1.325 472 S CA -0.475 57.912 58.200 0.311 0.000 1.002 472 S CB 0.446 63.761 63.200 0.192 0.000 0.921 472 S HN 0.663 nan 8.310 nan 0.000 0.554 473 F N 1.084 121.143 119.950 0.181 0.000 2.365 473 F HA -0.036 6.153 4.527 2.770 0.000 0.300 473 F C 1.742 177.535 175.800 -0.012 0.000 1.090 473 F CA 1.338 59.354 58.000 0.027 0.000 1.408 473 F CB -0.345 38.643 39.000 -0.020 0.000 1.060 473 F HN 0.632 nan 8.300 nan 0.000 0.534 474 D N 0.081 120.536 120.400 0.093 0.000 2.117 474 D HA -0.161 6.141 4.640 2.770 0.000 0.198 474 D C 2.004 178.285 176.300 -0.030 0.000 0.982 474 D CA 1.428 55.436 54.000 0.014 0.000 0.828 474 D CB -0.361 40.476 40.800 0.062 0.000 0.967 474 D HN 0.455 nan 8.370 nan 0.000 0.464 475 E N 0.580 120.804 120.200 0.039 0.000 2.106 475 E HA -0.097 5.915 4.350 2.770 0.000 0.192 475 E C 2.391 178.986 176.600 -0.009 0.000 0.984 475 E CA 0.385 56.826 56.400 0.068 0.000 0.806 475 E CB 0.008 29.830 29.700 0.203 0.000 0.750 475 E HN 0.301 nan 8.360 nan 0.000 0.458 476 I N 1.007 121.517 120.570 -0.100 0.000 2.142 476 I HA -0.289 5.543 4.170 2.770 0.000 0.240 476 I C 2.544 178.446 176.117 -0.359 0.000 1.078 476 I CA 1.242 62.392 61.300 -0.248 0.000 1.343 476 I CB -0.234 37.515 38.000 -0.418 0.000 1.046 476 I HN 0.025 nan 8.210 nan 0.000 0.405 477 R N 0.683 120.892 120.500 -0.485 0.000 2.091 477 R HA -0.236 5.766 4.340 2.770 0.000 0.238 477 R C 2.339 178.492 176.300 -0.245 0.000 1.136 477 R CA 1.657 57.507 56.100 -0.417 0.000 0.959 477 R CB -0.376 29.696 30.300 -0.380 0.000 0.856 477 R HN 0.321 nan 8.270 nan 0.000 0.437 478 K N 0.626 120.928 120.400 -0.163 0.000 2.057 478 K HA -0.128 5.854 4.320 2.770 0.000 0.207 478 K C 1.634 178.176 176.600 -0.097 0.000 1.049 478 K CA 1.545 57.771 56.287 -0.102 0.000 0.931 478 K CB 0.033 32.505 32.500 -0.047 0.000 0.714 478 K HN 0.085 nan 8.250 nan 0.000 0.440 479 N N 0.603 119.258 118.700 -0.075 0.000 2.223 479 N HA -0.122 6.280 4.740 2.770 0.000 0.185 479 N C 1.298 176.733 175.510 -0.125 0.000 1.016 479 N CA 1.333 54.339 53.050 -0.073 0.000 0.863 479 N CB -0.176 38.365 38.487 0.091 0.000 0.983 479 N HN 0.304 nan 8.380 nan 0.000 0.429 480 A N 0.559 123.292 122.820 -0.144 0.000 2.251 480 A HA 0.063 6.045 4.320 2.770 0.000 0.209 480 A C 0.820 178.308 177.584 -0.161 0.000 1.187 480 A CA -0.171 51.774 52.037 -0.153 0.000 0.823 480 A CB -0.165 18.714 19.000 -0.202 0.000 0.846 480 A HN 0.251 nan 8.150 nan 0.000 0.486 481 Q N -0.068 119.638 119.800 -0.156 0.000 2.414 481 Q HA 0.175 6.177 4.340 2.770 0.000 0.288 481 Q C -0.396 175.530 176.000 -0.123 0.000 1.086 481 Q CA 0.224 55.938 55.803 -0.147 0.000 0.943 481 Q CB 0.427 29.092 28.738 -0.122 0.000 1.282 481 Q HN 0.519 nan 8.270 nan 0.000 0.438 482 L N 2.504 123.654 121.223 -0.123 0.000 2.439 482 L HA -0.053 5.949 4.340 2.770 0.000 0.269 482 L C 1.581 178.407 176.870 -0.073 0.000 1.179 482 L CA -0.569 54.216 54.840 -0.092 0.000 0.828 482 L CB 0.224 42.227 42.059 -0.093 0.000 1.106 482 L HN 0.744 nan 8.230 nan 0.000 0.467 483 N N 1.663 120.330 118.700 -0.055 0.000 2.058 483 N HA -0.219 6.183 4.740 2.770 0.000 0.200 483 N C 0.954 176.438 175.510 -0.043 0.000 1.033 483 N CA 1.101 54.125 53.050 -0.044 0.000 0.880 483 N CB -0.297 38.170 38.487 -0.032 0.000 1.069 483 N HN 0.386 nan 8.380 nan 0.000 0.461 484 I N 0.000 120.545 120.570 -0.041 0.000 2.984 484 I HA 0.000 5.832 4.170 2.770 0.000 0.288 484 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 484 I CB 0.000 37.975 38.000 -0.042 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494