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 2waf_1_A DATA FIRST_RESID 52 DATA SEQUENCE TKITSSSARG EIYDASGKPL VENTLKQVVS FTRSNKMTAT DLKETAKKLL DATA SEQUENCE TYVSISSPNL TERQLADYYL ADPEIYKKIV EALPSXXXXX XXXXXXXESE DATA SEQUENCE LYNNAVDSVQ TSQLNYTEDE KKEIYLFSQL NAVGNFATGT IATDPLNDSQ DATA SEQUENCE VAVIASISKE MPGISISTSW DRKVLETSLS SIVGSVSSEK AGLPAEEAEA DATA SEQUENCE YLKKGYSLND RVGTSYLEKQ YEETLQGKRS VKEIHLDKYG NMESVDTIEE DATA SEQUENCE GSKGNNIKLT IDLAFQDSVD ALLKSYFNSE LENGGAKYSE GVYAVALNPK DATA SEQUENCE TGAVLSMSGI KHDLKTGELT PDSLGTVTNV FVPGSVVKAA TISSGWENGV DATA SEQUENCE LSGNQTLTDQ SIVFQGSAPI NSWYTQAYGS FPITAVQALE YSSNTYMVQT DATA SEQUENCE ALGLMGQTYQ PNMFVGTSNL ESAMEKLRST FGEYGLGTAT GIDLPDESTG DATA SEQUENCE FVPKEYSFAN YITNAFGQFD NYTPMQLAQY VATIANNGVR VAPRIVEGIY DATA SEQUENCE GNNDKGGLGD LIQQLQPTEM NKVNISDSDM SILHQGFYQV AHGTSGLTTG DATA SEQUENCE RAFSNGALVS ISGKTGTAES YVADGQQATN TNAVAYAPSD NPQIAVAVVF DATA SEQUENCE PHNTNLTNGV GPSIARDIIN LYQKYHPMNH H 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 52 T HA 0.000 nan 4.350 nan 0.000 0.228 52 T C 0.000 174.649 174.700 -0.085 0.000 1.109 52 T CA 0.000 62.059 62.100 -0.069 0.000 1.349 52 T CB 0.000 68.838 68.868 -0.051 0.000 0.612 53 K N 4.486 124.853 120.400 -0.056 0.000 2.422 53 K HA 0.832 5.132 4.320 -0.034 0.000 0.251 53 K C -1.005 175.578 176.600 -0.029 0.000 0.933 53 K CA -1.142 55.116 56.287 -0.047 0.000 0.798 53 K CB 2.221 34.700 32.500 -0.035 0.000 1.238 53 K HN 0.476 nan 8.250 nan 0.000 0.428 54 I N 1.330 121.886 120.570 -0.023 0.000 2.460 54 I HA 0.240 4.389 4.170 -0.034 0.000 0.298 54 I C 0.034 176.151 176.117 0.000 0.000 0.989 54 I CA -0.795 60.498 61.300 -0.012 0.000 1.173 54 I CB 2.151 40.143 38.000 -0.014 0.000 1.338 54 I HN 0.691 nan 8.210 nan 0.000 0.456 55 T N 3.396 117.954 114.554 0.007 0.000 2.929 55 T HA 0.643 4.973 4.350 -0.034 0.000 0.284 55 T C -0.636 174.080 174.700 0.028 0.000 1.014 55 T CA -0.471 61.643 62.100 0.022 0.000 1.051 55 T CB 0.784 69.669 68.868 0.029 0.000 1.028 55 T HN 0.718 nan 8.240 nan 0.000 0.485 56 S N 2.223 117.953 115.700 0.050 0.000 2.689 56 S HA 0.470 4.920 4.470 -0.034 0.000 0.274 56 S C -0.335 174.339 174.600 0.123 0.000 1.176 56 S CA -0.913 57.319 58.200 0.053 0.000 1.014 56 S CB 0.976 64.202 63.200 0.043 0.000 1.071 56 S HN 0.678 nan 8.310 nan 0.000 0.478 57 S N 2.634 118.413 115.700 0.131 0.000 2.542 57 S HA 0.255 4.705 4.470 -0.034 0.000 0.287 57 S C 0.584 175.539 174.600 0.591 0.000 1.315 57 S CA -0.024 58.352 58.200 0.293 0.000 1.037 57 S CB 0.370 63.732 63.200 0.269 0.000 0.822 57 S HN 0.814 nan 8.310 nan 0.000 0.513 58 S N 0.529 116.552 115.700 0.539 0.000 2.689 58 S HA 0.691 5.141 4.470 -0.034 0.000 0.306 58 S C 0.071 174.429 174.600 -0.403 0.000 1.104 58 S CA -0.548 57.805 58.200 0.255 0.000 0.973 58 S CB 1.307 64.560 63.200 0.089 0.000 1.121 58 S HN 0.989 nan 8.310 nan 0.000 0.523 59 A N 1.775 124.135 122.820 -0.768 0.000 2.600 59 A HA 0.045 4.345 4.320 -0.034 0.000 0.244 59 A C 0.464 177.624 177.584 -0.707 0.000 1.016 59 A CA 0.662 52.033 52.037 -1.110 0.000 0.778 59 A CB -0.296 18.386 19.000 -0.530 0.000 0.920 59 A HN 0.735 nan 8.150 nan 0.000 0.513 60 R N 2.351 122.401 120.500 -0.750 0.000 2.490 60 R HA 0.437 4.757 4.340 -0.034 0.000 0.278 60 R C 0.884 177.076 176.300 -0.180 0.000 1.069 60 R CA 0.359 56.305 56.100 -0.257 0.000 1.080 60 R CB 0.646 30.908 30.300 -0.063 0.000 1.030 60 R HN 0.897 nan 8.270 nan 0.000 0.491 61 G N 1.818 110.574 108.800 -0.072 0.000 2.667 61 G HA2 0.091 4.031 3.960 -0.034 0.000 0.250 61 G HA3 0.091 4.031 3.960 -0.034 0.000 0.250 61 G C -0.724 174.145 174.900 -0.052 0.000 1.212 61 G CA -0.346 44.731 45.100 -0.038 0.000 0.874 61 G HN 0.668 nan 8.290 nan 0.000 0.561 62 E N -1.345 118.822 120.200 -0.055 0.000 2.355 62 E HA 0.570 4.900 4.350 -0.034 0.000 0.261 62 E C -0.810 175.622 176.600 -0.281 0.000 0.943 62 E CA -0.721 55.569 56.400 -0.184 0.000 0.806 62 E CB 2.294 31.839 29.700 -0.258 0.000 1.286 62 E HN 0.286 nan 8.360 nan 0.000 0.424 63 I N 1.608 121.870 120.570 -0.513 0.000 2.466 63 I HA 0.327 4.477 4.170 -0.034 0.000 0.289 63 I C -1.451 174.308 176.117 -0.597 0.000 1.026 63 I CA -0.607 60.469 61.300 -0.372 0.000 1.078 63 I CB 1.021 38.916 38.000 -0.174 0.000 1.249 63 I HN 0.385 nan 8.210 nan 0.000 0.429 64 Y N 4.012 124.298 120.300 -0.023 0.000 2.425 64 Y HA 0.280 4.810 4.550 -0.033 0.000 0.344 64 Y C 0.232 176.113 175.900 -0.031 0.000 0.969 64 Y CA -1.118 56.958 58.100 -0.041 0.000 1.052 64 Y CB 1.287 39.694 38.460 -0.089 0.000 1.215 64 Y HN 0.565 nan 8.280 nan 0.000 0.451 65 D N 1.520 121.999 120.400 0.132 0.000 2.372 65 D HA 0.028 4.648 4.640 -0.034 0.000 0.243 65 D C 1.232 177.579 176.300 0.078 0.000 1.297 65 D CA 0.436 54.487 54.000 0.086 0.000 0.958 65 D CB 1.055 41.900 40.800 0.075 0.000 1.114 65 D HN 0.655 nan 8.370 nan 0.000 0.496 66 A N 0.590 123.454 122.820 0.073 0.000 1.958 66 A HA -0.237 4.062 4.320 -0.034 0.000 0.221 66 A C 2.286 179.895 177.584 0.042 0.000 1.178 66 A CA 3.102 55.178 52.037 0.065 0.000 0.642 66 A CB -1.054 18.002 19.000 0.093 0.000 0.816 66 A HN 0.710 nan 8.150 nan 0.000 0.453 67 S N -2.570 113.163 115.700 0.056 0.000 2.527 67 S HA 0.370 4.819 4.470 -0.034 0.000 0.222 67 S C 1.481 176.072 174.600 -0.014 0.000 0.985 67 S CA 1.145 59.366 58.200 0.035 0.000 0.921 67 S CB -0.025 63.215 63.200 0.067 0.000 0.772 67 S HN 1.997 nan 8.310 nan 0.000 0.529 68 G N 0.630 109.421 108.800 -0.015 0.000 2.195 68 G HA2 -0.194 3.745 3.960 -0.034 0.000 0.224 68 G HA3 -0.194 3.745 3.960 -0.034 0.000 0.224 68 G C 0.032 174.957 174.900 0.042 0.000 0.990 68 G CA -0.115 44.934 45.100 -0.084 0.000 0.639 68 G HN 0.426 nan 8.290 nan 0.000 0.514 69 K N 2.025 122.478 120.400 0.089 0.000 2.489 69 K HA 0.264 4.564 4.320 -0.034 0.000 0.278 69 K C -2.037 174.704 176.600 0.236 0.000 1.000 69 K CA -0.907 55.456 56.287 0.127 0.000 1.012 69 K CB 0.981 33.530 32.500 0.082 0.000 0.903 69 K HN 0.309 nan 8.250 nan 0.000 0.485 70 P HA 0.235 nan 4.420 nan 0.000 0.284 70 P C 0.082 177.365 177.300 -0.029 0.000 1.258 70 P CA -0.367 62.803 63.100 0.116 0.000 0.824 70 P CB 0.971 32.772 31.700 0.168 0.000 1.038 71 L N 0.846 121.982 121.223 -0.146 0.000 2.642 71 L HA 0.197 4.517 4.340 -0.034 0.000 0.233 71 L C 1.031 177.855 176.870 -0.077 0.000 1.077 71 L CA 0.183 54.972 54.840 -0.085 0.000 0.879 71 L CB 0.281 42.293 42.059 -0.079 0.000 1.151 71 L HN 0.239 nan 8.230 nan 0.000 0.495 72 V N -4.099 115.745 119.914 -0.115 0.000 3.156 72 V HA 0.672 4.772 4.120 -0.034 0.000 0.310 72 V C -1.462 174.597 176.094 -0.059 0.000 1.234 72 V CA -0.794 61.465 62.300 -0.069 0.000 1.065 72 V CB 2.466 34.251 31.823 -0.063 0.000 1.088 72 V HN -0.124 nan 8.190 nan 0.000 0.451 73 E N 1.440 121.627 120.200 -0.021 0.000 2.241 73 E HA 0.543 4.873 4.350 -0.034 0.000 0.263 73 E C -1.385 175.224 176.600 0.016 0.000 0.882 73 E CA -0.366 56.035 56.400 0.001 0.000 0.769 73 E CB 1.462 31.174 29.700 0.019 0.000 1.185 73 E HN 0.769 nan 8.360 nan 0.000 0.415 74 N N 2.000 120.700 118.700 0.001 0.000 2.408 74 N HA 0.423 5.142 4.740 -0.034 0.000 0.280 74 N C -1.245 174.289 175.510 0.040 0.000 1.002 74 N CA -0.295 52.758 53.050 0.004 0.000 0.907 74 N CB 1.803 40.234 38.487 -0.093 0.000 1.161 74 N HN 0.252 nan 8.380 nan 0.000 0.488 75 T N 2.453 117.066 114.554 0.097 0.000 3.060 75 T HA 0.285 4.615 4.350 -0.034 0.000 0.367 75 T C 0.334 175.115 174.700 0.136 0.000 1.229 75 T CA -0.583 61.574 62.100 0.095 0.000 1.104 75 T CB 0.507 69.426 68.868 0.084 0.000 1.083 75 T HN 0.070 nan 8.240 nan 0.000 0.524 76 L N 3.174 124.463 121.223 0.110 0.000 2.464 76 L HA 0.529 4.849 4.340 -0.034 0.000 0.264 76 L C 0.280 177.216 176.870 0.110 0.000 1.199 76 L CA 0.162 55.083 54.840 0.135 0.000 0.818 76 L CB 0.086 42.196 42.059 0.086 0.000 1.102 76 L HN 0.664 nan 8.230 nan 0.000 0.473 77 K N 1.201 121.672 120.400 0.118 0.000 2.579 77 K HA 0.324 4.624 4.320 -0.034 0.000 0.283 77 K C -1.358 175.292 176.600 0.083 0.000 1.069 77 K CA -0.595 55.743 56.287 0.085 0.000 0.977 77 K CB 0.569 33.113 32.500 0.074 0.000 1.334 77 K HN 0.350 nan 8.250 nan 0.000 0.462 78 Q N 1.751 121.591 119.800 0.068 0.000 2.293 78 Q HA 0.575 4.895 4.340 -0.034 0.000 0.251 78 Q C -0.596 175.432 176.000 0.048 0.000 0.930 78 Q CA -0.823 55.016 55.803 0.061 0.000 0.893 78 Q CB 2.070 30.840 28.738 0.053 0.000 1.215 78 Q HN 0.469 nan 8.270 nan 0.000 0.425 79 V N 1.158 121.098 119.914 0.043 0.000 3.203 79 V HA 0.422 4.522 4.120 -0.034 0.000 0.305 79 V C -1.523 174.589 176.094 0.029 0.000 1.361 79 V CA -0.825 61.496 62.300 0.034 0.000 1.066 79 V CB 2.856 34.697 31.823 0.030 0.000 1.085 79 V HN 0.587 nan 8.190 nan 0.000 0.456 80 V N 0.807 120.738 119.914 0.028 0.000 2.347 80 V HA 0.771 4.871 4.120 -0.034 0.000 0.280 80 V C -0.180 175.943 176.094 0.049 0.000 1.021 80 V CA -0.273 62.046 62.300 0.031 0.000 0.847 80 V CB 0.933 32.770 31.823 0.022 0.000 0.990 80 V HN 0.691 nan 8.190 nan 0.000 0.444 81 S N 5.494 121.229 115.700 0.058 0.000 2.508 81 S HA 0.739 5.188 4.470 -0.034 0.000 0.284 81 S C -0.783 173.906 174.600 0.148 0.000 1.192 81 S CA -0.287 57.957 58.200 0.072 0.000 1.070 81 S CB 1.317 64.537 63.200 0.034 0.000 1.004 81 S HN 0.830 nan 8.310 nan 0.000 0.493 82 F N 2.638 122.570 119.950 -0.030 0.000 2.477 82 F HA 0.461 4.968 4.527 -0.033 0.000 0.335 82 F C 0.195 175.976 175.800 -0.032 0.000 1.130 82 F CA -0.517 57.464 58.000 -0.031 0.000 0.948 82 F CB 0.720 39.696 39.000 -0.041 0.000 1.154 82 F HN 0.505 nan 8.300 nan 0.000 0.439 83 T N 5.494 119.671 114.554 -0.629 0.000 2.788 83 T HA 0.507 4.837 4.350 -0.034 0.000 0.280 83 T C 0.207 174.295 174.700 -1.020 0.000 0.984 83 T CA -0.500 61.237 62.100 -0.604 0.000 0.972 83 T CB 1.649 70.321 68.868 -0.327 0.000 1.039 83 T HN 0.737 nan 8.240 nan 0.000 0.530 84 R N -0.584 119.574 120.500 -0.571 0.000 3.460 84 R HA 0.735 5.054 4.340 -0.034 0.000 0.219 84 R C -1.261 174.800 176.300 -0.397 0.000 1.633 84 R CA -0.695 55.101 56.100 -0.507 0.000 0.940 84 R CB 1.252 31.333 30.300 -0.365 0.000 1.845 84 R HN 0.640 nan 8.270 nan 0.000 0.528 85 S N -0.198 115.235 115.700 -0.444 0.000 2.585 85 S HA 0.005 4.455 4.470 -0.034 0.000 0.335 85 S C -1.033 173.352 174.600 -0.360 0.000 0.747 85 S CA -0.549 57.388 58.200 -0.438 0.000 0.747 85 S CB -0.173 62.894 63.200 -0.222 0.000 1.052 85 S HN 0.757 nan 8.310 nan 0.000 0.522 86 N N 4.280 122.702 118.700 -0.462 0.000 2.659 86 N HA -0.136 4.584 4.740 -0.034 0.000 0.194 86 N C 1.042 176.486 175.510 -0.110 0.000 1.140 86 N CA 0.841 53.752 53.050 -0.231 0.000 0.936 86 N CB -0.072 38.325 38.487 -0.149 0.000 0.970 86 N HN 0.520 nan 8.380 nan 0.000 0.449 87 K N 0.330 120.666 120.400 -0.107 0.000 2.267 87 K HA 0.204 4.504 4.320 -0.034 0.000 0.213 87 K C 0.935 177.526 176.600 -0.014 0.000 1.060 87 K CA 0.146 56.411 56.287 -0.038 0.000 0.935 87 K CB -0.459 32.031 32.500 -0.016 0.000 1.096 87 K HN 0.222 nan 8.250 nan 0.000 0.468 88 M N 1.982 121.576 119.600 -0.009 0.000 2.233 88 M HA -0.019 4.441 4.480 -0.034 0.000 0.307 88 M C 0.490 176.818 176.300 0.047 0.000 1.026 88 M CA 0.689 56.012 55.300 0.039 0.000 1.109 88 M CB -0.151 32.499 32.600 0.083 0.000 1.463 88 M HN 0.356 nan 8.290 nan 0.000 0.436 89 T N -1.556 113.045 114.554 0.080 0.000 2.830 89 T HA 0.658 4.988 4.350 -0.034 0.000 0.322 89 T C 0.481 175.256 174.700 0.126 0.000 1.501 89 T CA -0.577 61.572 62.100 0.080 0.000 1.036 89 T CB 1.158 70.055 68.868 0.049 0.000 1.379 89 T HN 0.754 nan 8.240 nan 0.000 0.493 90 A N 2.024 124.936 122.820 0.155 0.000 1.883 90 A HA -0.240 4.060 4.320 -0.034 0.000 0.232 90 A C 2.325 179.988 177.584 0.131 0.000 1.671 90 A CA 3.593 55.760 52.037 0.216 0.000 0.748 90 A CB -2.259 16.819 19.000 0.131 0.000 0.850 90 A HN 1.178 nan 8.150 nan 0.000 0.488 91 T N -0.199 114.380 114.554 0.042 0.000 2.635 91 T HA -0.189 4.141 4.350 -0.034 0.000 0.267 91 T C 1.551 176.281 174.700 0.050 0.000 1.040 91 T CA 1.626 63.730 62.100 0.008 0.000 1.156 91 T CB -0.649 68.215 68.868 -0.007 0.000 0.863 91 T HN 0.533 nan 8.240 nan 0.000 0.430 92 D N 0.561 121.002 120.400 0.069 0.000 2.221 92 D HA -0.054 4.566 4.640 -0.034 0.000 0.204 92 D C 1.840 178.212 176.300 0.118 0.000 0.982 92 D CA 0.713 54.762 54.000 0.083 0.000 0.857 92 D CB -0.127 40.721 40.800 0.080 0.000 0.934 92 D HN 0.196 nan 8.370 nan 0.000 0.475 93 L N 0.722 122.046 121.223 0.168 0.000 2.202 93 L HA 0.026 4.346 4.340 -0.034 0.000 0.205 93 L C 2.192 179.200 176.870 0.230 0.000 1.083 93 L CA 1.060 56.027 54.840 0.212 0.000 0.790 93 L CB -0.461 41.783 42.059 0.307 0.000 0.942 93 L HN -0.130 nan 8.230 nan 0.000 0.452 94 K N -0.177 120.352 120.400 0.214 0.000 2.020 94 K HA -0.205 4.095 4.320 -0.034 0.000 0.212 94 K C 1.843 178.502 176.600 0.098 0.000 1.050 94 K CA 1.551 57.919 56.287 0.136 0.000 0.929 94 K CB -0.178 32.321 32.500 -0.001 0.000 0.714 94 K HN 0.309 nan 8.250 nan 0.000 0.443 95 E N 0.272 120.515 120.200 0.072 0.000 2.086 95 E HA -0.227 4.103 4.350 -0.034 0.000 0.200 95 E C 2.222 178.861 176.600 0.064 0.000 1.012 95 E CA 2.157 58.592 56.400 0.059 0.000 0.812 95 E CB -0.767 28.965 29.700 0.053 0.000 0.743 95 E HN 0.563 nan 8.360 nan 0.000 0.453 96 T N -0.324 114.268 114.554 0.064 0.000 2.777 96 T HA 0.035 4.365 4.350 -0.034 0.000 0.266 96 T C 2.176 176.893 174.700 0.027 0.000 1.040 96 T CA 1.426 63.551 62.100 0.041 0.000 1.141 96 T CB -0.369 68.500 68.868 0.001 0.000 0.868 96 T HN 0.210 nan 8.240 nan 0.000 0.444 97 A N 3.849 126.690 122.820 0.035 0.000 1.859 97 A HA -0.263 4.037 4.320 -0.034 0.000 0.218 97 A C 2.344 179.958 177.584 0.050 0.000 1.209 97 A CA 2.992 55.052 52.037 0.039 0.000 0.639 97 A CB -0.995 18.065 19.000 0.101 0.000 0.835 97 A HN 0.842 nan 8.150 nan 0.000 0.450 98 K N -0.790 119.645 120.400 0.059 0.000 2.020 98 K HA -0.177 4.123 4.320 -0.034 0.000 0.212 98 K C 1.865 178.496 176.600 0.053 0.000 1.050 98 K CA 1.727 58.044 56.287 0.049 0.000 0.929 98 K CB -0.317 32.211 32.500 0.046 0.000 0.714 98 K HN 0.245 nan 8.250 nan 0.000 0.443 99 K N 0.444 120.887 120.400 0.072 0.000 2.113 99 K HA -0.156 4.143 4.320 -0.034 0.000 0.208 99 K C 2.111 178.838 176.600 0.213 0.000 1.047 99 K CA 1.315 57.670 56.287 0.113 0.000 0.928 99 K CB -0.365 32.212 32.500 0.129 0.000 0.716 99 K HN 0.226 nan 8.250 nan 0.000 0.446 100 L N 0.700 122.031 121.223 0.180 0.000 2.179 100 L HA -0.068 4.252 4.340 -0.034 0.000 0.208 100 L C 2.028 179.042 176.870 0.241 0.000 1.096 100 L CA 0.907 55.894 54.840 0.245 0.000 0.779 100 L CB -0.351 41.759 42.059 0.085 0.000 0.922 100 L HN 0.019 nan 8.230 nan 0.000 0.443 101 L N -0.396 120.894 121.223 0.111 0.000 2.275 101 L HA -0.122 4.197 4.340 -0.034 0.000 0.215 101 L C 2.489 179.360 176.870 0.002 0.000 1.119 101 L CA 2.097 56.974 54.840 0.061 0.000 0.790 101 L CB -1.178 40.901 42.059 0.033 0.000 0.919 101 L HN 0.590 nan 8.230 nan 0.000 0.443 102 T N -4.209 110.291 114.554 -0.089 0.000 2.996 102 T HA -0.208 4.122 4.350 -0.034 0.000 0.271 102 T C 1.391 175.827 174.700 -0.441 0.000 1.126 102 T CA 1.638 63.549 62.100 -0.315 0.000 1.103 102 T CB -0.496 68.067 68.868 -0.508 0.000 0.870 102 T HN 0.456 nan 8.240 nan 0.000 0.528 103 Y N 0.725 121.033 120.300 0.014 0.000 2.589 103 Y HA 0.447 4.977 4.550 -0.033 0.000 0.271 103 Y C 1.038 176.947 175.900 0.015 0.000 1.107 103 Y CA -0.667 57.441 58.100 0.015 0.000 1.273 103 Y CB 0.720 39.190 38.460 0.017 0.000 1.266 103 Y HN 0.245 nan 8.280 nan 0.000 0.504 104 V N -2.411 117.600 119.914 0.163 0.000 2.960 104 V HA 0.727 4.827 4.120 -0.034 0.000 0.315 104 V C -0.226 175.906 176.094 0.064 0.000 1.087 104 V CA -1.203 61.163 62.300 0.110 0.000 0.982 104 V CB 1.856 33.745 31.823 0.111 0.000 1.039 104 V HN -0.073 nan 8.190 nan 0.000 0.437 105 S N 3.550 119.280 115.700 0.049 0.000 2.475 105 S HA 0.841 5.291 4.470 -0.034 0.000 0.298 105 S C -0.542 174.066 174.600 0.013 0.000 1.119 105 S CA -0.463 57.752 58.200 0.025 0.000 1.085 105 S CB 0.900 64.111 63.200 0.020 0.000 1.028 105 S HN 0.677 nan 8.310 nan 0.000 0.489 106 I N 2.788 123.352 120.570 -0.009 0.000 2.608 106 I HA 0.118 4.268 4.170 -0.034 0.000 0.280 106 I C 0.719 176.793 176.117 -0.072 0.000 1.186 106 I CA -0.302 60.971 61.300 -0.046 0.000 1.081 106 I CB 1.029 39.003 38.000 -0.043 0.000 1.272 106 I HN 0.673 nan 8.210 nan 0.000 0.460 107 S N 2.852 118.506 115.700 -0.077 0.000 2.327 107 S HA 0.050 4.500 4.470 -0.034 0.000 0.213 107 S C 1.034 175.567 174.600 -0.112 0.000 1.032 107 S CA 0.243 58.398 58.200 -0.075 0.000 0.960 107 S CB -0.053 63.116 63.200 -0.052 0.000 0.900 107 S HN 0.513 nan 8.310 nan 0.000 0.469 108 S N 4.191 119.809 115.700 -0.137 0.000 2.429 108 S HA 0.352 4.802 4.470 -0.034 0.000 0.292 108 S C -2.414 172.023 174.600 -0.272 0.000 1.183 108 S CA -0.823 57.280 58.200 -0.161 0.000 1.088 108 S CB 0.256 63.376 63.200 -0.133 0.000 1.018 108 S HN 0.345 nan 8.310 nan 0.000 0.511 109 P HA 0.329 nan 4.420 nan 0.000 0.199 109 P C -0.656 176.560 177.300 -0.140 0.000 1.878 109 P CA -0.605 62.336 63.100 -0.265 0.000 1.202 109 P CB 0.174 31.767 31.700 -0.179 0.000 1.719 110 N N 2.596 121.220 118.700 -0.126 0.000 3.111 110 N HA 0.089 4.809 4.740 -0.034 0.000 0.302 110 N C -0.004 175.505 175.510 -0.001 0.000 1.317 110 N CA -0.017 53.003 53.050 -0.049 0.000 1.151 110 N CB -0.535 37.928 38.487 -0.039 0.000 1.456 110 N HN 0.361 nan 8.380 nan 0.000 0.547 111 L N 0.587 121.817 121.223 0.011 0.000 2.485 111 L HA 0.047 4.367 4.340 -0.034 0.000 0.275 111 L C 1.382 178.272 176.870 0.033 0.000 1.207 111 L CA -0.064 54.805 54.840 0.049 0.000 0.855 111 L CB 0.137 42.214 42.059 0.030 0.000 1.114 111 L HN 0.260 nan 8.230 nan 0.000 0.485 112 T N -1.796 112.782 114.554 0.040 0.000 2.874 112 T HA 0.150 4.480 4.350 -0.034 0.000 0.281 112 T C 0.753 175.473 174.700 0.034 0.000 0.994 112 T CA -0.689 61.430 62.100 0.031 0.000 1.015 112 T CB 1.852 70.738 68.868 0.030 0.000 1.028 112 T HN 0.700 nan 8.240 nan 0.000 0.523 113 E N 0.540 120.759 120.200 0.032 0.000 2.028 113 E HA -0.146 4.184 4.350 -0.034 0.000 0.190 113 E C 2.378 179.006 176.600 0.047 0.000 0.984 113 E CA 0.792 57.215 56.400 0.038 0.000 0.800 113 E CB -0.066 29.652 29.700 0.030 0.000 0.758 113 E HN 0.681 nan 8.360 nan 0.000 0.448 114 R N 0.496 121.019 120.500 0.038 0.000 2.228 114 R HA -0.300 4.019 4.340 -0.034 0.000 0.264 114 R C 1.993 178.329 176.300 0.060 0.000 1.179 114 R CA 1.991 58.116 56.100 0.042 0.000 0.998 114 R CB -0.857 29.461 30.300 0.031 0.000 0.885 114 R HN 0.428 nan 8.270 nan 0.000 0.466 115 Q N 0.919 120.756 119.800 0.062 0.000 2.033 115 Q HA 0.041 4.361 4.340 -0.034 0.000 0.196 115 Q C 2.534 178.610 176.000 0.127 0.000 0.970 115 Q CA 1.052 56.904 55.803 0.083 0.000 0.828 115 Q CB -0.169 28.603 28.738 0.057 0.000 0.895 115 Q HN 0.308 nan 8.270 nan 0.000 0.440 116 L N 0.830 122.109 121.223 0.093 0.000 2.043 116 L HA -0.254 4.066 4.340 -0.034 0.000 0.212 116 L C 2.620 179.612 176.870 0.203 0.000 1.075 116 L CA 1.051 55.958 54.840 0.112 0.000 0.752 116 L CB -0.783 41.326 42.059 0.084 0.000 0.891 116 L HN 0.263 nan 8.230 nan 0.000 0.432 117 A N -0.164 122.746 122.820 0.149 0.000 1.884 117 A HA -0.332 3.968 4.320 -0.034 0.000 0.219 117 A C 2.083 179.774 177.584 0.178 0.000 1.197 117 A CA 2.334 54.457 52.037 0.143 0.000 0.637 117 A CB -0.806 18.241 19.000 0.078 0.000 0.827 117 A HN 0.420 nan 8.150 nan 0.000 0.450 118 D N -2.421 118.084 120.400 0.176 0.000 2.265 118 D HA -0.157 4.462 4.640 -0.034 0.000 0.208 118 D C 1.522 177.993 176.300 0.285 0.000 0.977 118 D CA 1.248 55.370 54.000 0.203 0.000 0.871 118 D CB -0.143 40.784 40.800 0.211 0.000 0.925 118 D HN 0.598 nan 8.370 nan 0.000 0.485 119 Y N -0.676 119.707 120.300 0.138 0.000 2.397 119 Y HA -0.105 4.425 4.550 -0.034 0.000 0.292 119 Y C 1.860 177.740 175.900 -0.034 0.000 1.115 119 Y CA 0.765 58.830 58.100 -0.059 0.000 1.208 119 Y CB -0.473 37.901 38.460 -0.145 0.000 1.046 119 Y HN -0.074 nan 8.280 nan 0.000 0.552 120 Y N 0.235 120.534 120.300 -0.002 0.000 2.314 120 Y HA -0.129 4.401 4.550 -0.034 0.000 0.293 120 Y C 1.666 177.507 175.900 -0.100 0.000 1.129 120 Y CA 1.634 59.709 58.100 -0.042 0.000 1.201 120 Y CB -0.344 38.164 38.460 0.081 0.000 0.999 120 Y HN 0.110 nan 8.280 nan 0.000 0.541 121 L N -0.341 120.867 121.223 -0.025 0.000 2.376 121 L HA -0.049 4.271 4.340 -0.034 0.000 0.219 121 L C 2.671 179.490 176.870 -0.085 0.000 1.133 121 L CA 0.602 55.380 54.840 -0.104 0.000 0.816 121 L CB -0.836 41.148 42.059 -0.126 0.000 0.933 121 L HN 0.280 nan 8.230 nan 0.000 0.449 122 A N -0.321 122.416 122.820 -0.138 0.000 1.903 122 A HA -0.253 4.046 4.320 -0.034 0.000 0.219 122 A C 1.262 178.768 177.584 -0.131 0.000 1.191 122 A CA 1.416 53.376 52.037 -0.128 0.000 0.638 122 A CB -0.560 18.232 19.000 -0.347 0.000 0.823 122 A HN 0.398 nan 8.150 nan 0.000 0.451 123 D N -0.493 119.771 120.400 -0.227 0.000 2.450 123 D HA 0.112 4.732 4.640 -0.034 0.000 0.247 123 D C -1.530 174.721 176.300 -0.082 0.000 1.162 123 D CA -1.527 52.372 54.000 -0.168 0.000 0.879 123 D CB 1.152 41.812 40.800 -0.232 0.000 1.163 123 D HN 0.088 nan 8.370 nan 0.000 0.472 124 P HA -0.124 nan 4.420 nan 0.000 0.213 124 P C 1.252 178.557 177.300 0.008 0.000 1.170 124 P CA 0.775 63.882 63.100 0.011 0.000 0.889 124 P CB 0.117 31.805 31.700 -0.019 0.000 0.782 125 E N 0.273 120.456 120.200 -0.028 0.000 2.154 125 E HA -0.283 4.047 4.350 -0.034 0.000 0.240 125 E C 1.849 178.440 176.600 -0.015 0.000 1.059 125 E CA 2.166 58.549 56.400 -0.028 0.000 0.954 125 E CB -0.742 28.930 29.700 -0.047 0.000 0.842 125 E HN -0.123 nan 8.360 nan 0.000 0.508 126 I N 0.419 120.943 120.570 -0.076 0.000 2.419 126 I HA -0.374 3.776 4.170 -0.034 0.000 0.229 126 I C 2.541 178.673 176.117 0.025 0.000 0.948 126 I CA 2.222 63.448 61.300 -0.123 0.000 1.247 126 I CB -2.119 35.665 38.000 -0.359 0.000 0.956 126 I HN 0.443 nan 8.210 nan 0.000 0.388 127 Y N 1.696 121.945 120.300 -0.084 0.000 2.102 127 Y HA -0.356 4.173 4.550 -0.034 0.000 0.280 127 Y C 2.704 178.599 175.900 -0.007 0.000 1.178 127 Y CA 2.524 60.612 58.100 -0.021 0.000 1.146 127 Y CB -0.782 37.668 38.460 -0.016 0.000 0.968 127 Y HN 0.261 nan 8.280 nan 0.000 0.504 128 K N 0.688 121.215 120.400 0.212 0.000 1.987 128 K HA -0.277 4.023 4.320 -0.034 0.000 0.216 128 K C 2.320 178.979 176.600 0.099 0.000 1.051 128 K CA 2.520 58.855 56.287 0.081 0.000 0.942 128 K CB -0.619 31.887 32.500 0.011 0.000 0.722 128 K HN 0.269 nan 8.250 nan 0.000 0.444 129 K N 0.023 120.467 120.400 0.074 0.000 2.152 129 K HA -0.100 4.200 4.320 -0.034 0.000 0.206 129 K C 2.045 178.698 176.600 0.089 0.000 1.048 129 K CA 1.682 58.006 56.287 0.063 0.000 0.933 129 K CB -0.133 32.392 32.500 0.042 0.000 0.721 129 K HN 0.276 nan 8.250 nan 0.000 0.447 130 I N -0.076 120.567 120.570 0.122 0.000 2.163 130 I HA -0.248 3.902 4.170 -0.034 0.000 0.240 130 I C 2.299 178.490 176.117 0.124 0.000 1.081 130 I CA 0.967 62.339 61.300 0.120 0.000 1.353 130 I CB -0.429 37.631 38.000 0.100 0.000 1.054 130 I HN 0.087 nan 8.210 nan 0.000 0.407 131 V N 1.140 121.166 119.914 0.187 0.000 2.332 131 V HA -0.288 3.812 4.120 -0.034 0.000 0.248 131 V C 2.422 178.573 176.094 0.095 0.000 1.055 131 V CA 2.024 64.429 62.300 0.175 0.000 1.038 131 V CB -0.528 31.430 31.823 0.227 0.000 0.651 131 V HN 0.387 nan 8.190 nan 0.000 0.450 132 E N 0.414 120.659 120.200 0.075 0.000 2.301 132 E HA -0.229 4.101 4.350 -0.034 0.000 0.202 132 E C 1.979 178.605 176.600 0.043 0.000 1.017 132 E CA 1.698 58.124 56.400 0.042 0.000 0.831 132 E CB -0.571 29.151 29.700 0.037 0.000 0.742 132 E HN 0.782 nan 8.360 nan 0.000 0.491 133 A N -0.343 122.512 122.820 0.058 0.000 2.140 133 A HA 0.177 4.477 4.320 -0.034 0.000 0.209 133 A C 1.049 178.668 177.584 0.059 0.000 1.181 133 A CA -0.230 51.838 52.037 0.052 0.000 0.824 133 A CB 0.116 19.147 19.000 0.051 0.000 0.879 133 A HN 0.114 nan 8.150 nan 0.000 0.480 134 L N 1.531 122.802 121.223 0.080 0.000 2.439 134 L HA 0.304 4.624 4.340 -0.034 0.000 0.269 134 L C -1.937 174.990 176.870 0.095 0.000 1.179 134 L CA -1.577 53.324 54.840 0.102 0.000 0.828 134 L CB 0.056 42.211 42.059 0.161 0.000 1.106 134 L HN 0.191 nan 8.230 nan 0.000 0.467 135 P HA 0.393 nan 4.420 nan 0.000 0.314 135 P C -0.537 176.840 177.300 0.128 0.000 1.306 135 P CA -0.777 62.374 63.100 0.085 0.000 0.782 135 P CB 0.574 32.310 31.700 0.061 0.000 1.337 150 S N 1.217 116.990 115.700 0.121 0.000 2.343 150 S HA -0.177 4.273 4.470 -0.034 0.000 0.219 150 S C 1.450 176.143 174.600 0.157 0.000 1.033 150 S CA 1.994 60.267 58.200 0.121 0.000 1.014 150 S CB -0.094 63.148 63.200 0.070 0.000 0.915 150 S HN 0.280 nan 8.310 nan 0.000 0.435 151 E N 1.490 121.760 120.200 0.117 0.000 2.152 151 E HA -0.005 4.325 4.350 -0.034 0.000 0.192 151 E C 1.878 178.536 176.600 0.096 0.000 0.983 151 E CA 0.295 56.759 56.400 0.106 0.000 0.818 151 E CB -0.579 29.164 29.700 0.072 0.000 0.758 151 E HN 0.329 nan 8.360 nan 0.000 0.467 152 L N -0.404 120.868 121.223 0.082 0.000 2.017 152 L HA -0.153 4.167 4.340 -0.034 0.000 0.208 152 L C 1.983 178.868 176.870 0.026 0.000 1.073 152 L CA 1.741 56.600 54.840 0.031 0.000 0.745 152 L CB -0.443 41.621 42.059 0.007 0.000 0.894 152 L HN 0.076 nan 8.230 nan 0.000 0.432 153 Y N -0.492 119.850 120.300 0.069 0.000 2.439 153 Y HA -0.144 4.386 4.550 -0.034 0.000 0.292 153 Y C 2.483 178.463 175.900 0.134 0.000 1.130 153 Y CA 1.432 59.586 58.100 0.090 0.000 1.254 153 Y CB -0.361 38.152 38.460 0.087 0.000 1.000 153 Y HN 0.425 nan 8.280 nan 0.000 0.554 154 N N 0.207 119.084 118.700 0.295 0.000 2.084 154 N HA -0.198 4.521 4.740 -0.034 0.000 0.190 154 N C 1.512 177.085 175.510 0.105 0.000 1.030 154 N CA 1.594 54.783 53.050 0.232 0.000 0.849 154 N CB -0.245 38.372 38.487 0.217 0.000 1.012 154 N HN 0.112 nan 8.380 nan 0.000 0.423 155 N N 0.109 118.852 118.700 0.072 0.000 2.132 155 N HA -0.156 4.564 4.740 -0.034 0.000 0.191 155 N C 1.383 176.895 175.510 0.004 0.000 1.015 155 N CA 1.434 54.498 53.050 0.023 0.000 0.864 155 N CB -0.594 37.893 38.487 0.001 0.000 1.006 155 N HN 0.422 nan 8.380 nan 0.000 0.430 156 A N 0.208 123.024 122.820 -0.007 0.000 1.832 156 A HA -0.040 4.260 4.320 -0.034 0.000 0.214 156 A C 2.412 180.017 177.584 0.035 0.000 1.204 156 A CA 1.387 53.415 52.037 -0.016 0.000 0.606 156 A CB -1.207 17.740 19.000 -0.088 0.000 0.849 156 A HN 0.115 nan 8.150 nan 0.000 0.445 157 V N 0.704 120.671 119.914 0.088 0.000 2.278 157 V HA -0.345 3.755 4.120 -0.034 0.000 0.251 157 V C 2.145 178.223 176.094 -0.027 0.000 1.062 157 V CA 3.119 65.447 62.300 0.045 0.000 1.038 157 V CB -0.860 30.974 31.823 0.018 0.000 0.646 157 V HN 0.668 nan 8.190 nan 0.000 0.447 158 D N -0.027 120.350 120.400 -0.038 0.000 2.205 158 D HA -0.181 4.439 4.640 -0.034 0.000 0.190 158 D C 2.285 178.581 176.300 -0.006 0.000 1.002 158 D CA 2.296 56.280 54.000 -0.027 0.000 0.848 158 D CB -0.391 40.408 40.800 -0.002 0.000 0.975 158 D HN 0.521 nan 8.370 nan 0.000 0.449 159 S N -0.785 114.916 115.700 0.001 0.000 2.555 159 S HA -0.068 4.382 4.470 -0.034 0.000 0.230 159 S C 1.917 176.519 174.600 0.003 0.000 0.978 159 S CA 0.244 58.445 58.200 0.002 0.000 0.934 159 S CB 0.117 63.317 63.200 -0.000 0.000 0.766 159 S HN 0.206 nan 8.310 nan 0.000 0.533 160 V N 2.421 122.340 119.914 0.007 0.000 2.270 160 V HA -0.122 3.978 4.120 -0.034 0.000 0.245 160 V C 1.120 177.217 176.094 0.004 0.000 1.043 160 V CA 1.282 63.590 62.300 0.014 0.000 1.014 160 V CB -0.471 31.372 31.823 0.032 0.000 0.645 160 V HN 0.708 nan 8.190 nan 0.000 0.447 161 Q N 2.114 121.912 119.800 -0.003 0.000 2.286 161 Q HA 0.149 4.469 4.340 -0.034 0.000 0.267 161 Q C 0.135 176.112 176.000 -0.039 0.000 1.028 161 Q CA 0.377 56.163 55.803 -0.028 0.000 0.901 161 Q CB 0.307 29.015 28.738 -0.050 0.000 1.183 161 Q HN 0.594 nan 8.270 nan 0.000 0.392 162 T N 1.028 115.556 114.554 -0.043 0.000 2.902 162 T HA 0.084 4.414 4.350 -0.034 0.000 0.301 162 T C 0.435 175.097 174.700 -0.064 0.000 1.012 162 T CA -0.163 61.912 62.100 -0.040 0.000 1.151 162 T CB 0.886 69.733 68.868 -0.036 0.000 0.946 162 T HN 0.611 nan 8.240 nan 0.000 0.542 163 S N 2.169 117.844 115.700 -0.042 0.000 2.535 163 S HA 0.091 4.541 4.470 -0.034 0.000 0.214 163 S C 0.571 175.155 174.600 -0.026 0.000 0.980 163 S CA -0.262 57.915 58.200 -0.038 0.000 0.907 163 S CB 0.056 63.258 63.200 0.003 0.000 0.790 163 S HN 0.801 nan 8.310 nan 0.000 0.510 164 Q N 1.845 121.629 119.800 -0.028 0.000 2.388 164 Q HA 0.447 4.767 4.340 -0.034 0.000 0.246 164 Q C -0.773 175.201 176.000 -0.043 0.000 1.246 164 Q CA 0.725 56.517 55.803 -0.020 0.000 0.895 164 Q CB -0.374 28.353 28.738 -0.019 0.000 1.510 164 Q HN 0.369 nan 8.270 nan 0.000 0.503 165 L N 1.910 123.111 121.223 -0.037 0.000 2.591 165 L HA 0.352 4.672 4.340 -0.034 0.000 0.257 165 L C -0.657 176.158 176.870 -0.092 0.000 0.935 165 L CA -1.290 53.491 54.840 -0.097 0.000 0.873 165 L CB 1.884 43.838 42.059 -0.176 0.000 1.397 165 L HN 0.563 nan 8.230 nan 0.000 0.414 166 N N 0.726 119.331 118.700 -0.159 0.000 2.467 166 N HA 0.377 5.096 4.740 -0.034 0.000 0.262 166 N C -1.556 173.783 175.510 -0.285 0.000 1.234 166 N CA 0.008 52.987 53.050 -0.120 0.000 0.952 166 N CB 0.953 39.386 38.487 -0.090 0.000 1.158 166 N HN 0.379 nan 8.380 nan 0.000 0.463 167 Y N -1.370 118.940 120.300 0.018 0.000 2.479 167 Y HA 0.219 4.749 4.550 -0.033 0.000 0.338 167 Y C 0.408 176.317 175.900 0.016 0.000 1.055 167 Y CA -0.828 57.290 58.100 0.029 0.000 1.023 167 Y CB 1.917 40.398 38.460 0.036 0.000 1.287 167 Y HN 0.637 nan 8.280 nan 0.000 0.447 168 T N 2.359 117.016 114.554 0.172 0.000 2.939 168 T HA -0.052 4.277 4.350 -0.034 0.000 0.312 168 T C 1.237 175.990 174.700 0.089 0.000 1.064 168 T CA 0.147 62.307 62.100 0.099 0.000 1.136 168 T CB 0.516 69.432 68.868 0.079 0.000 1.035 168 T HN 0.709 nan 8.240 nan 0.000 0.538 169 E N 3.021 123.252 120.200 0.051 0.000 2.209 169 E HA -0.112 4.218 4.350 -0.034 0.000 0.196 169 E C 1.465 178.074 176.600 0.016 0.000 0.993 169 E CA 1.355 57.773 56.400 0.030 0.000 0.819 169 E CB 0.011 29.720 29.700 0.015 0.000 0.745 169 E HN 0.706 nan 8.360 nan 0.000 0.477 170 D N -0.044 120.368 120.400 0.021 0.000 2.271 170 D HA -0.078 4.542 4.640 -0.034 0.000 0.206 170 D C 1.737 178.046 176.300 0.015 0.000 0.967 170 D CA 0.330 54.337 54.000 0.011 0.000 0.867 170 D CB -0.147 40.660 40.800 0.012 0.000 0.960 170 D HN 0.019 nan 8.370 nan 0.000 0.509 171 E N 2.069 122.296 120.200 0.044 0.000 2.054 171 E HA -0.247 4.083 4.350 -0.034 0.000 0.225 171 E C 1.332 177.909 176.600 -0.038 0.000 1.048 171 E CA 1.472 57.905 56.400 0.056 0.000 0.899 171 E CB -0.224 29.584 29.700 0.180 0.000 0.801 171 E HN 0.138 nan 8.360 nan 0.000 0.495 172 K N -0.048 120.330 120.400 -0.036 0.000 2.588 172 K HA -0.240 4.059 4.320 -0.034 0.000 0.197 172 K C 1.865 178.415 176.600 -0.083 0.000 1.047 172 K CA 1.418 57.648 56.287 -0.095 0.000 0.927 172 K CB -0.150 32.326 32.500 -0.039 0.000 0.770 172 K HN 0.141 nan 8.250 nan 0.000 0.497 173 K N 0.147 120.514 120.400 -0.055 0.000 2.287 173 K HA -0.040 4.260 4.320 -0.034 0.000 0.199 173 K C 1.684 178.298 176.600 0.022 0.000 1.061 173 K CA 0.702 56.980 56.287 -0.014 0.000 0.976 173 K CB 0.423 32.913 32.500 -0.016 0.000 0.898 173 K HN 0.291 nan 8.250 nan 0.000 0.492 174 E N 0.879 121.060 120.200 -0.031 0.000 2.442 174 E HA 0.021 4.351 4.350 -0.034 0.000 0.195 174 E C 1.673 178.186 176.600 -0.145 0.000 1.030 174 E CA 0.303 56.684 56.400 -0.032 0.000 0.869 174 E CB -0.095 29.602 29.700 -0.006 0.000 0.857 174 E HN 0.173 nan 8.360 nan 0.000 0.505 175 I N 0.720 121.096 120.570 -0.322 0.000 2.315 175 I HA -0.251 3.899 4.170 -0.034 0.000 0.248 175 I C 2.333 178.339 176.117 -0.185 0.000 1.117 175 I CA 1.067 62.005 61.300 -0.603 0.000 1.404 175 I CB -0.327 37.243 38.000 -0.716 0.000 1.071 175 I HN 0.101 nan 8.210 nan 0.000 0.419 176 Y N 1.919 122.106 120.300 -0.187 0.000 2.009 176 Y HA -0.324 4.206 4.550 -0.034 0.000 0.260 176 Y C 2.376 178.232 175.900 -0.073 0.000 1.118 176 Y CA 1.699 59.735 58.100 -0.105 0.000 1.087 176 Y CB -0.855 37.555 38.460 -0.084 0.000 0.970 176 Y HN -0.070 nan 8.280 nan 0.000 0.481 177 L N -0.766 120.415 121.223 -0.071 0.000 2.113 177 L HA -0.391 3.929 4.340 -0.034 0.000 0.237 177 L C 2.421 179.187 176.870 -0.174 0.000 1.113 177 L CA 2.251 57.001 54.840 -0.150 0.000 0.837 177 L CB -1.338 40.700 42.059 -0.034 0.000 0.929 177 L HN 0.424 nan 8.230 nan 0.000 0.449 178 F N 0.602 120.430 119.950 -0.205 0.000 2.085 178 F HA -0.348 4.159 4.527 -0.033 0.000 0.299 178 F C 2.609 178.321 175.800 -0.147 0.000 1.096 178 F CA 2.127 60.040 58.000 -0.146 0.000 1.227 178 F CB -0.512 38.430 39.000 -0.096 0.000 0.983 178 F HN 0.076 nan 8.300 nan 0.000 0.482 179 S N 0.255 115.807 115.700 -0.247 0.000 2.365 179 S HA -0.283 4.166 4.470 -0.034 0.000 0.225 179 S C 1.882 176.255 174.600 -0.379 0.000 1.039 179 S CA 1.492 59.497 58.200 -0.325 0.000 1.033 179 S CB -0.598 62.461 63.200 -0.235 0.000 0.887 179 S HN 0.515 nan 8.310 nan 0.000 0.447 180 Q N 0.688 120.233 119.800 -0.424 0.000 2.084 180 Q HA 0.016 4.335 4.340 -0.034 0.000 0.202 180 Q C 2.328 178.181 176.000 -0.246 0.000 0.978 180 Q CA 0.998 56.593 55.803 -0.346 0.000 0.844 180 Q CB -0.489 28.016 28.738 -0.389 0.000 0.898 180 Q HN 0.524 nan 8.270 nan 0.000 0.426 181 L N 0.504 121.538 121.223 -0.316 0.000 2.072 181 L HA -0.167 4.153 4.340 -0.034 0.000 0.205 181 L C 2.064 178.856 176.870 -0.129 0.000 1.079 181 L CA 0.842 55.499 54.840 -0.304 0.000 0.752 181 L CB -0.329 41.409 42.059 -0.535 0.000 0.906 181 L HN 0.192 nan 8.230 nan 0.000 0.436 182 N N 0.161 118.645 118.700 -0.360 0.000 2.309 182 N HA -0.106 4.614 4.740 -0.034 0.000 0.182 182 N C 1.679 177.091 175.510 -0.163 0.000 1.018 182 N CA 1.102 53.959 53.050 -0.322 0.000 0.876 182 N CB -0.043 38.074 38.487 -0.616 0.000 0.972 182 N HN 0.262 nan 8.380 nan 0.000 0.434 183 A N -0.246 122.479 122.820 -0.159 0.000 2.178 183 A HA -0.001 4.299 4.320 -0.034 0.000 0.218 183 A C 0.577 178.133 177.584 -0.047 0.000 1.157 183 A CA 0.444 52.422 52.037 -0.099 0.000 0.689 183 A CB -0.324 18.610 19.000 -0.110 0.000 0.787 183 A HN 0.038 nan 8.150 nan 0.000 0.465 184 V N 0.324 120.232 119.914 -0.009 0.000 2.530 184 V HA 0.465 4.564 4.120 -0.034 0.000 0.282 184 V C 1.174 177.251 176.094 -0.030 0.000 1.048 184 V CA -0.450 61.849 62.300 -0.000 0.000 0.997 184 V CB 0.729 32.576 31.823 0.040 0.000 0.987 184 V HN 0.387 nan 8.190 nan 0.000 0.477 185 G N 3.082 111.864 108.800 -0.029 0.000 2.569 185 G HA2 0.119 4.059 3.960 -0.034 0.000 0.249 185 G HA3 0.119 4.059 3.960 -0.034 0.000 0.249 185 G C 0.064 174.936 174.900 -0.047 0.000 1.216 185 G CA -0.578 44.510 45.100 -0.022 0.000 0.845 185 G HN 0.702 nan 8.290 nan 0.000 0.568 186 N N 0.058 118.727 118.700 -0.051 0.000 2.412 186 N HA 0.018 4.738 4.740 -0.034 0.000 0.258 186 N C 0.512 176.008 175.510 -0.023 0.000 1.236 186 N CA 0.457 53.396 53.050 -0.185 0.000 0.882 186 N CB 0.034 38.390 38.487 -0.219 0.000 1.066 186 N HN 0.578 nan 8.380 nan 0.000 0.465 187 F N -2.689 117.209 119.950 -0.086 0.000 2.619 187 F HA -0.326 4.181 4.527 -0.033 0.000 0.425 187 F C 0.904 176.651 175.800 -0.089 0.000 0.575 187 F CA 0.659 58.609 58.000 -0.083 0.000 1.289 187 F CB -1.509 37.457 39.000 -0.056 0.000 1.859 187 F HN 0.518 nan 8.300 nan 0.000 0.280 188 A N 0.144 122.993 122.820 0.047 0.000 2.287 188 A HA 0.692 4.991 4.320 -0.034 0.000 0.273 188 A C 0.418 177.961 177.584 -0.067 0.000 1.091 188 A CA 0.396 52.433 52.037 -0.001 0.000 0.817 188 A CB 0.582 19.577 19.000 -0.010 0.000 1.069 188 A HN 0.130 nan 8.150 nan 0.000 0.492 189 T N 0.737 115.259 114.554 -0.055 0.000 2.791 189 T HA 0.588 4.918 4.350 -0.034 0.000 0.288 189 T C 0.372 175.049 174.700 -0.038 0.000 0.999 189 T CA 0.242 62.298 62.100 -0.073 0.000 0.952 189 T CB 1.100 69.934 68.868 -0.057 0.000 0.938 189 T HN 1.045 nan 8.240 nan 0.000 0.444 190 G N 2.312 111.104 108.800 -0.014 0.000 2.601 190 G HA2 0.685 4.625 3.960 -0.034 0.000 0.317 190 G HA3 0.685 4.625 3.960 -0.034 0.000 0.317 190 G C -0.137 174.790 174.900 0.045 0.000 1.246 190 G CA -0.454 44.656 45.100 0.016 0.000 1.012 190 G HN 0.603 nan 8.290 nan 0.000 0.494 191 T N -0.703 113.866 114.554 0.024 0.000 2.850 191 T HA 0.604 4.934 4.350 -0.034 0.000 0.269 191 T C -0.575 174.134 174.700 0.014 0.000 1.075 191 T CA -0.282 61.832 62.100 0.024 0.000 0.987 191 T CB 0.736 69.605 68.868 0.002 0.000 1.889 191 T HN 0.283 nan 8.240 nan 0.000 0.584 192 I N 0.859 121.432 120.570 0.004 0.000 2.628 192 I HA 0.298 4.448 4.170 -0.034 0.000 0.271 192 I C -0.082 176.048 176.117 0.021 0.000 1.237 192 I CA -0.977 60.319 61.300 -0.008 0.000 1.036 192 I CB 0.241 38.241 38.000 0.000 0.000 1.285 192 I HN 0.716 nan 8.210 nan 0.000 0.500 193 A N 3.618 126.454 122.820 0.026 0.000 2.512 193 A HA 0.340 4.640 4.320 -0.034 0.000 0.278 193 A C 0.753 178.451 177.584 0.191 0.000 1.128 193 A CA 1.217 53.321 52.037 0.113 0.000 0.818 193 A CB -0.118 18.984 19.000 0.171 0.000 1.044 193 A HN 0.763 nan 8.150 nan 0.000 0.526 194 T N 0.838 115.461 114.554 0.115 0.000 2.541 194 T HA 0.554 4.884 4.350 -0.034 0.000 0.222 194 T C -1.379 173.358 174.700 0.061 0.000 0.819 194 T CA -0.366 61.792 62.100 0.096 0.000 1.203 194 T CB 0.910 69.818 68.868 0.065 0.000 1.640 194 T HN 0.496 nan 8.240 nan 0.000 0.507 195 D N 1.882 122.309 120.400 0.046 0.000 2.616 195 D HA 0.402 5.022 4.640 -0.034 0.000 0.238 195 D C -2.671 173.649 176.300 0.032 0.000 1.354 195 D CA -0.883 53.135 54.000 0.029 0.000 0.970 195 D CB 1.582 42.393 40.800 0.018 0.000 1.369 195 D HN 0.210 nan 8.370 nan 0.000 0.585 196 P HA -0.119 nan 4.420 nan 0.000 0.271 196 P C -0.520 176.800 177.300 0.033 0.000 1.164 196 P CA 0.554 63.673 63.100 0.031 0.000 0.758 196 P CB 0.627 32.343 31.700 0.027 0.000 0.769 197 L N 1.927 123.171 121.223 0.035 0.000 2.346 197 L HA 0.370 4.690 4.340 -0.034 0.000 0.276 197 L C 1.207 178.098 176.870 0.035 0.000 1.006 197 L CA -0.933 53.929 54.840 0.037 0.000 0.817 197 L CB 1.699 43.781 42.059 0.038 0.000 1.272 197 L HN 0.423 nan 8.230 nan 0.000 0.421 198 N N 0.490 119.211 118.700 0.035 0.000 2.295 198 N HA 0.066 4.785 4.740 -0.034 0.000 0.273 198 N C 0.074 175.604 175.510 0.033 0.000 1.318 198 N CA 0.099 53.169 53.050 0.033 0.000 0.935 198 N CB 0.286 38.792 38.487 0.032 0.000 1.061 198 N HN 0.467 nan 8.380 nan 0.000 0.462 199 D N -2.336 118.083 120.400 0.032 0.000 2.454 199 D HA 0.189 4.809 4.640 -0.034 0.000 0.219 199 D C 1.259 177.578 176.300 0.032 0.000 1.081 199 D CA 0.318 54.336 54.000 0.030 0.000 0.867 199 D CB 0.228 41.044 40.800 0.026 0.000 1.054 199 D HN 0.407 nan 8.370 nan 0.000 0.500 200 S N 0.770 116.492 115.700 0.037 0.000 2.327 200 S HA -0.105 4.345 4.470 -0.034 0.000 0.213 200 S C 1.873 176.506 174.600 0.056 0.000 1.032 200 S CA 0.413 58.639 58.200 0.044 0.000 0.960 200 S CB -0.141 63.086 63.200 0.045 0.000 0.900 200 S HN 0.169 nan 8.310 nan 0.000 0.469 201 Q N 0.725 120.565 119.800 0.066 0.000 2.165 201 Q HA -0.245 4.075 4.340 -0.034 0.000 0.215 201 Q C 2.006 178.041 176.000 0.058 0.000 1.010 201 Q CA 2.289 58.144 55.803 0.087 0.000 0.896 201 Q CB -0.371 28.412 28.738 0.075 0.000 0.956 201 Q HN 0.407 nan 8.270 nan 0.000 0.413 202 V N -0.147 119.789 119.914 0.037 0.000 2.302 202 V HA -0.144 3.956 4.120 -0.034 0.000 0.243 202 V C 2.108 178.204 176.094 0.004 0.000 1.036 202 V CA 1.729 64.039 62.300 0.018 0.000 1.020 202 V CB -0.879 30.958 31.823 0.024 0.000 0.657 202 V HN 0.476 nan 8.190 nan 0.000 0.453 203 A N -0.566 122.264 122.820 0.016 0.000 2.235 203 A HA 0.052 4.352 4.320 -0.034 0.000 0.208 203 A C 2.204 179.794 177.584 0.009 0.000 1.172 203 A CA 0.818 52.862 52.037 0.012 0.000 0.786 203 A CB -0.365 18.646 19.000 0.020 0.000 0.804 203 A HN 0.307 nan 8.150 nan 0.000 0.479 204 V N 0.067 119.990 119.914 0.014 0.000 2.323 204 V HA -0.230 3.869 4.120 -0.034 0.000 0.244 204 V C 2.351 178.406 176.094 -0.064 0.000 1.041 204 V CA 1.931 64.241 62.300 0.016 0.000 1.025 204 V CB -0.553 31.324 31.823 0.091 0.000 0.656 204 V HN 0.619 nan 8.190 nan 0.000 0.451 205 I N 0.697 121.185 120.570 -0.138 0.000 2.264 205 I HA -0.273 3.877 4.170 -0.034 0.000 0.248 205 I C 2.597 178.661 176.117 -0.087 0.000 1.111 205 I CA 1.432 62.617 61.300 -0.192 0.000 1.382 205 I CB -0.564 37.324 38.000 -0.186 0.000 1.060 205 I HN 0.315 nan 8.210 nan 0.000 0.418 206 A N 0.384 123.179 122.820 -0.042 0.000 2.139 206 A HA -0.237 4.063 4.320 -0.034 0.000 0.221 206 A C 2.384 179.964 177.584 -0.007 0.000 1.159 206 A CA 2.327 54.355 52.037 -0.013 0.000 0.662 206 A CB -0.514 18.488 19.000 0.002 0.000 0.796 206 A HN 0.584 nan 8.150 nan 0.000 0.463 207 S N -1.187 114.504 115.700 -0.014 0.000 2.527 207 S HA 0.170 4.620 4.470 -0.034 0.000 0.227 207 S C 1.065 175.665 174.600 0.000 0.000 1.059 207 S CA 0.427 58.627 58.200 0.001 0.000 0.919 207 S CB 0.066 63.273 63.200 0.012 0.000 0.805 207 S HN 0.873 nan 8.310 nan 0.000 0.500 208 I N 0.671 121.229 120.570 -0.021 0.000 3.531 208 I HA 0.537 4.687 4.170 -0.034 0.000 0.341 208 I C 0.795 176.897 176.117 -0.026 0.000 1.550 208 I CA -0.230 61.064 61.300 -0.010 0.000 1.087 208 I CB -0.497 37.512 38.000 0.014 0.000 1.408 208 I HN 0.111 nan 8.210 nan 0.000 0.484 209 S N 2.376 118.064 115.700 -0.020 0.000 2.353 209 S HA -0.133 4.316 4.470 -0.034 0.000 0.222 209 S C 1.577 176.195 174.600 0.029 0.000 1.035 209 S CA 1.759 59.959 58.200 0.001 0.000 1.025 209 S CB -0.085 63.126 63.200 0.017 0.000 0.902 209 S HN 0.638 nan 8.310 nan 0.000 0.440 210 K N 0.886 121.306 120.400 0.034 0.000 2.633 210 K HA -0.040 4.259 4.320 -0.034 0.000 0.193 210 K C 1.020 177.645 176.600 0.042 0.000 1.033 210 K CA 0.718 57.031 56.287 0.043 0.000 0.980 210 K CB -0.058 32.464 32.500 0.037 0.000 0.800 210 K HN 0.489 nan 8.250 nan 0.000 0.493 211 E N -0.333 119.892 120.200 0.041 0.000 2.562 211 E HA 0.167 4.497 4.350 -0.034 0.000 0.214 211 E C 0.237 176.876 176.600 0.064 0.000 0.979 211 E CA 0.008 56.439 56.400 0.052 0.000 1.002 211 E CB 0.576 30.311 29.700 0.059 0.000 1.048 211 E HN 0.182 nan 8.360 nan 0.000 0.488 212 M N 1.709 121.344 119.600 0.058 0.000 3.062 212 M HA 0.244 4.704 4.480 -0.034 0.000 0.270 212 M C -2.576 173.779 176.300 0.093 0.000 1.270 212 M CA -1.842 53.502 55.300 0.073 0.000 0.702 212 M CB 1.142 33.777 32.600 0.058 0.000 1.398 212 M HN -0.319 nan 8.290 nan 0.000 0.490 213 P HA -0.182 nan 4.420 nan 0.000 0.224 213 P C 0.763 178.142 177.300 0.131 0.000 1.015 213 P CA 1.682 64.838 63.100 0.093 0.000 0.910 213 P CB -0.114 31.637 31.700 0.084 0.000 0.849 214 G N 3.173 112.044 108.800 0.118 0.000 3.532 214 G HA2 -0.174 3.766 3.960 -0.034 0.000 0.196 214 G HA3 -0.174 3.766 3.960 -0.034 0.000 0.196 214 G C -0.075 174.921 174.900 0.160 0.000 2.074 214 G CA -0.529 44.649 45.100 0.129 0.000 1.323 214 G HN 0.407 nan 8.290 nan 0.000 0.439 215 I N 2.907 123.621 120.570 0.241 0.000 2.993 215 I HA 0.408 4.558 4.170 -0.034 0.000 0.301 215 I C 1.029 177.198 176.117 0.087 0.000 1.229 215 I CA 1.302 62.716 61.300 0.191 0.000 1.435 215 I CB 0.520 38.577 38.000 0.095 0.000 1.328 215 I HN 0.997 nan 8.210 nan 0.000 0.584 216 S N 6.387 122.130 115.700 0.072 0.000 2.587 216 S HA 0.597 5.047 4.470 -0.034 0.000 0.269 216 S C -1.201 173.417 174.600 0.029 0.000 1.154 216 S CA -0.962 57.257 58.200 0.032 0.000 0.824 216 S CB 1.825 65.043 63.200 0.030 0.000 1.118 216 S HN 0.280 nan 8.310 nan 0.000 0.462 217 I N 2.494 123.073 120.570 0.016 0.000 2.354 217 I HA 0.555 4.705 4.170 -0.034 0.000 0.292 217 I C 0.027 176.162 176.117 0.030 0.000 0.989 217 I CA -0.123 61.188 61.300 0.019 0.000 1.188 217 I CB 1.466 39.471 38.000 0.008 0.000 1.342 217 I HN 0.820 nan 8.210 nan 0.000 0.457 218 S N 3.793 119.515 115.700 0.036 0.000 2.607 218 S HA 0.510 4.960 4.470 -0.034 0.000 0.303 218 S C -0.063 174.576 174.600 0.065 0.000 1.086 218 S CA -0.527 57.702 58.200 0.048 0.000 0.995 218 S CB 1.953 65.174 63.200 0.036 0.000 1.084 218 S HN 0.546 nan 8.310 nan 0.000 0.507 219 T N 2.098 116.711 114.554 0.100 0.000 2.832 219 T HA 0.389 4.719 4.350 -0.034 0.000 0.313 219 T C 0.030 174.855 174.700 0.208 0.000 1.035 219 T CA -0.057 62.128 62.100 0.142 0.000 0.950 219 T CB 0.646 69.606 68.868 0.153 0.000 0.984 219 T HN 0.416 nan 8.240 nan 0.000 0.486 220 S N 2.885 118.667 115.700 0.137 0.000 2.693 220 S HA 0.810 5.259 4.470 -0.034 0.000 0.276 220 S C -1.208 173.526 174.600 0.224 0.000 1.192 220 S CA -0.822 57.413 58.200 0.059 0.000 0.994 220 S CB 0.574 63.748 63.200 -0.044 0.000 1.012 220 S HN 0.729 nan 8.310 nan 0.000 0.550 221 W N 1.354 122.661 121.300 0.013 0.000 3.256 221 W HA 0.587 5.225 4.660 -0.036 0.000 0.324 221 W C -1.745 174.780 176.519 0.010 0.000 1.196 221 W CA -0.778 56.575 57.345 0.013 0.000 1.206 221 W CB 0.264 29.733 29.460 0.014 0.000 1.385 221 W HN 0.325 nan 8.180 nan 0.000 0.522 222 D N 2.620 123.181 120.400 0.267 0.000 2.210 222 D HA 0.327 4.947 4.640 -0.034 0.000 0.249 222 D C -0.766 175.687 176.300 0.255 0.000 1.078 222 D CA -0.647 53.458 54.000 0.174 0.000 0.875 222 D CB 2.077 42.938 40.800 0.101 0.000 1.175 222 D HN 0.489 nan 8.370 nan 0.000 0.440 223 R N 1.710 122.336 120.500 0.210 0.000 2.451 223 R HA 0.265 4.585 4.340 -0.034 0.000 0.307 223 R C -0.785 175.571 176.300 0.093 0.000 0.965 223 R CA -0.729 55.475 56.100 0.173 0.000 0.865 223 R CB 0.885 31.322 30.300 0.228 0.000 1.174 223 R HN 0.394 nan 8.270 nan 0.000 0.455 224 K N 2.091 122.529 120.400 0.064 0.000 2.340 224 K HA 0.570 4.870 4.320 -0.034 0.000 0.244 224 K C -1.296 175.319 176.600 0.025 0.000 0.973 224 K CA -1.007 55.305 56.287 0.041 0.000 0.828 224 K CB 2.135 34.656 32.500 0.035 0.000 1.226 224 K HN 0.217 nan 8.250 nan 0.000 0.437 225 V N 3.258 123.184 119.914 0.020 0.000 2.394 225 V HA 0.256 4.356 4.120 -0.034 0.000 0.282 225 V C 0.243 176.340 176.094 0.005 0.000 1.031 225 V CA -0.982 61.324 62.300 0.009 0.000 0.881 225 V CB 1.060 32.891 31.823 0.013 0.000 0.982 225 V HN 0.614 nan 8.190 nan 0.000 0.451 226 L N 3.215 124.437 121.223 -0.002 0.000 2.452 226 L HA 0.331 4.651 4.340 -0.034 0.000 0.267 226 L C 0.787 177.657 176.870 -0.001 0.000 1.188 226 L CA -0.150 54.690 54.840 -0.000 0.000 0.821 226 L CB 0.351 42.408 42.059 -0.003 0.000 1.102 226 L HN 0.618 nan 8.230 nan 0.000 0.470 227 E N 2.068 122.269 120.200 0.001 0.000 2.166 227 E HA 0.182 4.512 4.350 -0.034 0.000 0.279 227 E C -0.549 176.049 176.600 -0.004 0.000 1.095 227 E CA 0.024 56.423 56.400 -0.002 0.000 0.888 227 E CB 0.703 30.402 29.700 -0.002 0.000 1.041 227 E HN 0.664 nan 8.360 nan 0.000 0.414 228 T N -0.754 113.795 114.554 -0.008 0.000 3.047 228 T HA 0.058 4.388 4.350 -0.034 0.000 0.340 228 T C 1.035 175.725 174.700 -0.017 0.000 1.421 228 T CA -0.310 61.784 62.100 -0.009 0.000 1.090 228 T CB 1.163 70.029 68.868 -0.004 0.000 1.292 228 T HN 0.239 nan 8.240 nan 0.000 0.480 229 S N 2.337 118.023 115.700 -0.023 0.000 2.421 229 S HA -0.174 4.276 4.470 -0.034 0.000 0.239 229 S C 1.786 176.366 174.600 -0.033 0.000 1.054 229 S CA 1.501 59.681 58.200 -0.033 0.000 1.035 229 S CB -0.925 62.249 63.200 -0.043 0.000 0.840 229 S HN 0.701 nan 8.310 nan 0.000 0.475 230 L N 2.120 123.329 121.223 -0.024 0.000 2.492 230 L HA 0.002 4.322 4.340 -0.034 0.000 0.223 230 L C 2.888 179.739 176.870 -0.032 0.000 1.132 230 L CA 0.758 55.582 54.840 -0.026 0.000 0.850 230 L CB -0.932 41.121 42.059 -0.010 0.000 0.966 230 L HN 0.597 nan 8.230 nan 0.000 0.454 231 S N -0.507 115.178 115.700 -0.026 0.000 2.406 231 S HA -0.370 4.080 4.470 -0.034 0.000 0.242 231 S C 2.164 176.742 174.600 -0.036 0.000 1.079 231 S CA 2.113 60.300 58.200 -0.022 0.000 1.133 231 S CB -0.833 62.358 63.200 -0.016 0.000 1.005 231 S HN 0.384 nan 8.310 nan 0.000 0.443 232 S N 1.024 116.689 115.700 -0.058 0.000 2.372 232 S HA -0.068 4.382 4.470 -0.034 0.000 0.227 232 S C 1.821 176.307 174.600 -0.190 0.000 1.044 232 S CA 1.554 59.692 58.200 -0.103 0.000 1.050 232 S CB -0.534 62.601 63.200 -0.107 0.000 0.901 232 S HN 0.530 nan 8.310 nan 0.000 0.447 233 I N 1.019 121.490 120.570 -0.165 0.000 2.286 233 I HA -0.082 4.068 4.170 -0.034 0.000 0.245 233 I C 2.354 178.428 176.117 -0.071 0.000 1.104 233 I CA 0.820 62.002 61.300 -0.196 0.000 1.397 233 I CB -1.528 36.420 38.000 -0.087 0.000 1.072 233 I HN 0.142 nan 8.210 nan 0.000 0.417 234 V N 1.053 120.961 119.914 -0.010 0.000 2.277 234 V HA -0.295 3.804 4.120 -0.034 0.000 0.255 234 V C 1.550 177.716 176.094 0.121 0.000 1.074 234 V CA 1.912 64.241 62.300 0.048 0.000 1.058 234 V CB -1.512 30.326 31.823 0.025 0.000 0.656 234 V HN 0.754 nan 8.190 nan 0.000 0.449 235 G N -0.454 108.439 108.800 0.155 0.000 2.632 235 G HA2 -0.091 3.849 3.960 -0.034 0.000 0.224 235 G HA3 -0.091 3.849 3.960 -0.034 0.000 0.224 235 G C -0.161 174.824 174.900 0.143 0.000 1.341 235 G CA 0.180 45.440 45.100 0.266 0.000 0.880 235 G HN 1.657 nan 8.290 nan 0.000 0.566 236 S N -2.139 113.628 115.700 0.111 0.000 2.618 236 S HA 0.839 5.289 4.470 -0.034 0.000 0.277 236 S C -0.725 173.902 174.600 0.046 0.000 1.138 236 S CA -0.016 58.224 58.200 0.067 0.000 0.844 236 S CB 2.280 65.512 63.200 0.053 0.000 1.127 236 S HN 1.801 nan 8.310 nan 0.000 0.474 237 V N 1.919 121.857 119.914 0.041 0.000 2.919 237 V HA 0.680 4.780 4.120 -0.034 0.000 0.316 237 V C 0.383 176.478 176.094 0.001 0.000 1.077 237 V CA -0.706 61.611 62.300 0.028 0.000 0.977 237 V CB 2.113 33.975 31.823 0.066 0.000 1.039 237 V HN 1.173 nan 8.190 nan 0.000 0.441 238 S N 2.049 117.729 115.700 -0.033 0.000 2.549 238 S HA 0.220 4.670 4.470 -0.034 0.000 0.286 238 S C 0.395 174.963 174.600 -0.053 0.000 1.314 238 S CA -0.273 57.891 58.200 -0.060 0.000 1.062 238 S CB 0.497 63.634 63.200 -0.106 0.000 0.865 238 S HN 1.080 nan 8.310 nan 0.000 0.498 239 S N 1.399 117.064 115.700 -0.059 0.000 2.598 239 S HA 0.097 4.547 4.470 -0.034 0.000 0.256 239 S C 0.900 175.430 174.600 -0.117 0.000 1.350 239 S CA -0.090 58.063 58.200 -0.078 0.000 0.984 239 S CB 0.317 63.478 63.200 -0.066 0.000 0.930 239 S HN 0.957 nan 8.310 nan 0.000 0.577 240 E N -0.197 119.906 120.200 -0.162 0.000 2.400 240 E HA -0.003 4.327 4.350 -0.034 0.000 0.195 240 E C 1.523 178.039 176.600 -0.140 0.000 1.012 240 E CA 0.245 56.528 56.400 -0.196 0.000 0.875 240 E CB -0.071 29.438 29.700 -0.318 0.000 0.859 240 E HN 0.566 nan 8.360 nan 0.000 0.498 241 K N 0.880 121.213 120.400 -0.112 0.000 2.365 241 K HA 0.058 4.358 4.320 -0.034 0.000 0.199 241 K C 1.519 178.076 176.600 -0.072 0.000 1.045 241 K CA 1.139 57.376 56.287 -0.082 0.000 0.962 241 K CB -0.098 32.362 32.500 -0.066 0.000 0.759 241 K HN 0.187 nan 8.250 nan 0.000 0.469 242 A N -0.707 122.065 122.820 -0.080 0.000 1.887 242 A HA 0.400 4.700 4.320 -0.034 0.000 0.212 242 A C 1.801 179.335 177.584 -0.083 0.000 1.198 242 A CA 1.331 53.324 52.037 -0.074 0.000 0.628 242 A CB -0.721 18.236 19.000 -0.072 0.000 0.847 242 A HN 0.468 nan 8.150 nan 0.000 0.449 243 G N -1.656 107.085 108.800 -0.098 0.000 4.933 243 G HA2 -0.114 3.826 3.960 -0.034 0.000 0.285 243 G HA3 -0.114 3.826 3.960 -0.034 0.000 0.285 243 G C -0.178 174.639 174.900 -0.138 0.000 1.596 243 G CA 0.272 45.310 45.100 -0.102 0.000 1.081 243 G HN 1.420 nan 8.290 nan 0.000 0.710 244 L N 2.141 123.277 121.223 -0.145 0.000 2.661 244 L HA 0.527 4.847 4.340 -0.034 0.000 0.263 244 L C -2.470 174.298 176.870 -0.170 0.000 0.956 244 L CA -1.371 53.339 54.840 -0.217 0.000 0.918 244 L CB 1.689 43.632 42.059 -0.194 0.000 1.280 244 L HN 0.406 nan 8.230 nan 0.000 0.416 245 P HA 0.263 nan 4.420 nan 0.000 0.279 245 P C 0.680 177.946 177.300 -0.058 0.000 1.318 245 P CA -0.120 62.916 63.100 -0.105 0.000 0.819 245 P CB 1.242 32.882 31.700 -0.100 0.000 0.927 246 A N 5.163 127.961 122.820 -0.036 0.000 1.883 246 A HA -0.362 3.938 4.320 -0.034 0.000 0.222 246 A C 1.832 179.427 177.584 0.017 0.000 1.339 246 A CA 2.630 54.662 52.037 -0.008 0.000 0.692 246 A CB -1.501 17.493 19.000 -0.010 0.000 0.845 246 A HN 0.540 nan 8.150 nan 0.000 0.467 247 E N -0.936 119.269 120.200 0.008 0.000 2.813 247 E HA -0.292 4.038 4.350 -0.034 0.000 0.233 247 E C 1.566 178.192 176.600 0.044 0.000 0.922 247 E CA 2.181 58.591 56.400 0.017 0.000 1.351 247 E CB -0.506 29.198 29.700 0.006 0.000 1.349 247 E HN 0.671 nan 8.360 nan 0.000 0.485 248 E N -0.389 119.866 120.200 0.092 0.000 2.479 248 E HA 0.245 4.575 4.350 -0.034 0.000 0.193 248 E C 1.610 178.395 176.600 0.309 0.000 1.049 248 E CA 0.612 57.108 56.400 0.161 0.000 0.870 248 E CB 0.127 29.954 29.700 0.212 0.000 0.944 248 E HN 0.331 nan 8.360 nan 0.000 0.492 249 A N 1.663 124.599 122.820 0.192 0.000 1.882 249 A HA -0.363 3.937 4.320 -0.034 0.000 0.220 249 A C 2.194 179.927 177.584 0.248 0.000 1.253 249 A CA 2.358 54.488 52.037 0.154 0.000 0.664 249 A CB -0.681 18.334 19.000 0.026 0.000 0.838 249 A HN 0.350 nan 8.150 nan 0.000 0.460 250 E N -0.627 119.654 120.200 0.135 0.000 2.033 250 E HA -0.139 4.190 4.350 -0.034 0.000 0.199 250 E C 2.110 178.772 176.600 0.104 0.000 1.011 250 E CA 1.750 58.209 56.400 0.099 0.000 0.815 250 E CB -0.463 29.266 29.700 0.048 0.000 0.755 250 E HN 0.584 nan 8.360 nan 0.000 0.451 251 A N -0.330 122.514 122.820 0.040 0.000 2.096 251 A HA -0.283 4.017 4.320 -0.034 0.000 0.225 251 A C 1.937 179.475 177.584 -0.078 0.000 1.192 251 A CA 2.172 54.169 52.037 -0.068 0.000 0.679 251 A CB -1.152 17.734 19.000 -0.190 0.000 0.821 251 A HN 0.570 nan 8.150 nan 0.000 0.484 252 Y N -0.842 119.477 120.300 0.031 0.000 2.269 252 Y HA 0.059 4.600 4.550 -0.016 0.000 0.294 252 Y C 2.219 178.236 175.900 0.195 0.000 1.120 252 Y CA 1.075 59.233 58.100 0.098 0.000 1.159 252 Y CB -0.335 38.092 38.460 -0.054 0.000 1.024 252 Y HN 0.168 nan 8.280 nan 0.000 0.532 253 L N 0.494 121.885 121.223 0.280 0.000 2.127 253 L HA -0.278 4.042 4.340 -0.034 0.000 0.211 253 L C 2.463 179.411 176.870 0.131 0.000 1.089 253 L CA 1.683 56.636 54.840 0.188 0.000 0.757 253 L CB -0.480 41.646 42.059 0.112 0.000 0.899 253 L HN 0.222 nan 8.230 nan 0.000 0.434 254 K N 0.726 121.188 120.400 0.104 0.000 2.097 254 K HA -0.170 4.130 4.320 -0.034 0.000 0.205 254 K C 2.006 178.639 176.600 0.054 0.000 1.050 254 K CA 1.226 57.546 56.287 0.055 0.000 0.938 254 K CB 0.090 32.605 32.500 0.026 0.000 0.718 254 K HN 0.179 nan 8.250 nan 0.000 0.442 255 K N -0.986 119.472 120.400 0.098 0.000 2.432 255 K HA -0.010 4.290 4.320 -0.034 0.000 0.196 255 K C 0.617 177.235 176.600 0.030 0.000 1.038 255 K CA 0.809 57.148 56.287 0.087 0.000 0.986 255 K CB 0.425 33.021 32.500 0.160 0.000 0.782 255 K HN 0.528 nan 8.250 nan 0.000 0.485 256 G N 0.181 109.020 108.800 0.065 0.000 2.183 256 G HA2 -0.202 3.738 3.960 -0.034 0.000 0.168 256 G HA3 -0.202 3.738 3.960 -0.034 0.000 0.168 256 G C -0.388 174.475 174.900 -0.062 0.000 1.008 256 G CA -0.641 44.440 45.100 -0.033 0.000 0.677 256 G HN 0.153 nan 8.290 nan 0.000 0.498 257 Y N 1.987 122.332 120.300 0.075 0.000 2.411 257 Y HA 0.472 5.002 4.550 -0.034 0.000 0.333 257 Y C 1.427 177.348 175.900 0.035 0.000 1.186 257 Y CA 0.599 58.737 58.100 0.064 0.000 1.381 257 Y CB 1.037 39.546 38.460 0.081 0.000 1.273 257 Y HN 0.266 nan 8.280 nan 0.000 0.546 258 S N 2.831 118.631 115.700 0.166 0.000 2.563 258 S HA -0.059 4.391 4.470 -0.034 0.000 0.284 258 S C 0.975 175.635 174.600 0.100 0.000 1.331 258 S CA -0.757 57.503 58.200 0.101 0.000 1.047 258 S CB 0.466 63.709 63.200 0.071 0.000 0.859 258 S HN 0.724 nan 8.310 nan 0.000 0.514 259 L N 3.270 124.521 121.223 0.047 0.000 2.141 259 L HA 0.003 4.322 4.340 -0.034 0.000 0.209 259 L C 1.989 178.850 176.870 -0.015 0.000 1.094 259 L CA 1.961 56.811 54.840 0.016 0.000 0.763 259 L CB -1.029 41.031 42.059 0.002 0.000 0.908 259 L HN 0.950 nan 8.230 nan 0.000 0.437 260 N N -1.774 116.920 118.700 -0.010 0.000 2.383 260 N HA -0.039 4.681 4.740 -0.034 0.000 0.192 260 N C 0.135 175.620 175.510 -0.042 0.000 1.141 260 N CA -0.106 52.923 53.050 -0.035 0.000 0.851 260 N CB -0.635 37.832 38.487 -0.033 0.000 0.976 260 N HN 0.250 nan 8.380 nan 0.000 0.465 261 D N 1.411 121.803 120.400 -0.014 0.000 2.278 261 D HA 0.116 4.736 4.640 -0.034 0.000 0.240 261 D C 0.162 176.428 176.300 -0.055 0.000 1.347 261 D CA 0.445 54.451 54.000 0.010 0.000 0.945 261 D CB 0.713 41.575 40.800 0.104 0.000 1.175 261 D HN 0.095 nan 8.370 nan 0.000 0.519 262 R N -0.384 120.106 120.500 -0.016 0.000 2.514 262 R HA 0.506 4.826 4.340 -0.034 0.000 0.296 262 R C -1.119 175.167 176.300 -0.023 0.000 1.012 262 R CA -0.739 55.338 56.100 -0.039 0.000 0.897 262 R CB 1.865 32.160 30.300 -0.009 0.000 1.184 262 R HN 0.263 nan 8.270 nan 0.000 0.440 263 V N -0.906 118.942 119.914 -0.109 0.000 3.007 263 V HA 0.767 4.867 4.120 -0.034 0.000 0.311 263 V C 0.358 176.408 176.094 -0.073 0.000 1.120 263 V CA -1.084 61.142 62.300 -0.123 0.000 0.980 263 V CB 1.894 33.507 31.823 -0.350 0.000 1.033 263 V HN 0.763 nan 8.190 nan 0.000 0.429 264 G N 1.346 110.138 108.800 -0.014 0.000 2.353 264 G HA2 0.396 4.336 3.960 -0.034 0.000 0.239 264 G HA3 0.396 4.336 3.960 -0.034 0.000 0.239 264 G C 0.762 175.647 174.900 -0.026 0.000 1.295 264 G CA 0.488 45.593 45.100 0.008 0.000 0.884 264 G HN 1.376 nan 8.290 nan 0.000 0.537 265 T N -1.636 112.899 114.554 -0.031 0.000 3.044 265 T HA 0.349 4.679 4.350 -0.034 0.000 0.250 265 T C 0.887 175.537 174.700 -0.084 0.000 1.081 265 T CA 0.478 62.545 62.100 -0.054 0.000 1.040 265 T CB -0.035 68.802 68.868 -0.053 0.000 0.962 265 T HN 1.260 nan 8.240 nan 0.000 0.506 266 S N -0.738 114.911 115.700 -0.085 0.000 2.586 266 S HA 0.513 4.963 4.470 -0.034 0.000 0.277 266 S C -0.800 173.735 174.600 -0.107 0.000 1.131 266 S CA -1.309 56.750 58.200 -0.235 0.000 0.848 266 S CB 0.856 63.829 63.200 -0.377 0.000 1.091 266 S HN 0.333 nan 8.310 nan 0.000 0.453 267 Y N 0.075 120.384 120.300 0.016 0.000 2.914 267 Y HA -0.375 4.160 4.550 -0.025 0.000 0.465 267 Y C 1.816 177.738 175.900 0.037 0.000 1.209 267 Y CA 0.418 58.532 58.100 0.023 0.000 2.458 267 Y CB -1.157 37.319 38.460 0.027 0.000 1.245 267 Y HN 0.673 nan 8.280 nan 0.000 0.635 268 L N -0.089 121.299 121.223 0.276 0.000 1.997 268 L HA -0.286 4.034 4.340 -0.034 0.000 0.216 268 L C 2.289 179.269 176.870 0.182 0.000 1.074 268 L CA 2.099 57.070 54.840 0.218 0.000 0.763 268 L CB -0.663 41.518 42.059 0.204 0.000 0.890 268 L HN 0.606 nan 8.230 nan 0.000 0.434 269 E N -0.030 120.261 120.200 0.151 0.000 2.169 269 E HA -0.316 4.013 4.350 -0.034 0.000 0.202 269 E C 2.078 178.738 176.600 0.099 0.000 1.016 269 E CA 1.660 58.130 56.400 0.117 0.000 0.817 269 E CB -0.195 29.561 29.700 0.093 0.000 0.736 269 E HN 0.477 nan 8.360 nan 0.000 0.462 270 K N 0.542 120.986 120.400 0.074 0.000 2.098 270 K HA -0.150 4.150 4.320 -0.034 0.000 0.203 270 K C 2.255 178.871 176.600 0.026 0.000 1.051 270 K CA 0.936 57.248 56.287 0.042 0.000 0.957 270 K CB 0.076 32.575 32.500 -0.001 0.000 0.738 270 K HN -0.112 nan 8.250 nan 0.000 0.447 271 Q N 0.136 119.936 119.800 0.000 0.000 2.061 271 Q HA -0.179 4.141 4.340 -0.034 0.000 0.204 271 Q C 0.415 176.259 176.000 -0.261 0.000 0.984 271 Q CA 1.837 57.550 55.803 -0.152 0.000 0.846 271 Q CB -0.215 28.407 28.738 -0.194 0.000 0.902 271 Q HN 0.441 nan 8.270 nan 0.000 0.421 272 Y N 0.273 120.614 120.300 0.067 0.000 2.718 272 Y HA 0.169 4.703 4.550 -0.026 0.000 0.322 272 Y C 1.249 177.195 175.900 0.076 0.000 1.122 272 Y CA -0.261 57.879 58.100 0.066 0.000 1.348 272 Y CB 0.240 38.738 38.460 0.063 0.000 1.174 272 Y HN 0.217 nan 8.280 nan 0.000 0.523 273 E N 1.475 121.767 120.200 0.154 0.000 2.033 273 E HA -0.263 4.067 4.350 -0.034 0.000 0.199 273 E C 1.398 178.109 176.600 0.184 0.000 1.011 273 E CA 2.263 58.761 56.400 0.163 0.000 0.815 273 E CB 0.146 29.938 29.700 0.153 0.000 0.755 273 E HN 0.577 nan 8.360 nan 0.000 0.451 274 E N -0.252 120.050 120.200 0.171 0.000 2.103 274 E HA -0.305 4.025 4.350 -0.034 0.000 0.229 274 E C 2.177 178.861 176.600 0.140 0.000 1.061 274 E CA 2.884 59.375 56.400 0.152 0.000 0.916 274 E CB -1.284 28.488 29.700 0.120 0.000 0.806 274 E HN 0.609 nan 8.360 nan 0.000 0.489 275 T N -1.029 113.616 114.554 0.152 0.000 2.915 275 T HA -0.057 4.273 4.350 -0.034 0.000 0.269 275 T C 1.956 176.718 174.700 0.103 0.000 1.071 275 T CA 0.998 63.169 62.100 0.119 0.000 1.132 275 T CB -0.258 68.686 68.868 0.126 0.000 0.878 275 T HN 0.037 nan 8.240 nan 0.000 0.479 276 L N 0.119 121.417 121.223 0.126 0.000 2.095 276 L HA 0.142 4.461 4.340 -0.034 0.000 0.204 276 L C 1.580 178.499 176.870 0.082 0.000 1.080 276 L CA 0.291 55.190 54.840 0.097 0.000 0.759 276 L CB -0.406 41.721 42.059 0.112 0.000 0.914 276 L HN 0.301 nan 8.230 nan 0.000 0.439 277 Q N 1.226 121.095 119.800 0.116 0.000 2.262 277 Q HA 0.058 4.378 4.340 -0.034 0.000 0.298 277 Q C 0.043 176.092 176.000 0.082 0.000 1.083 277 Q CA 0.409 56.289 55.803 0.128 0.000 0.962 277 Q CB 0.874 29.730 28.738 0.197 0.000 1.104 277 Q HN 0.219 nan 8.270 nan 0.000 0.376 278 G N 4.609 113.441 108.800 0.052 0.000 2.370 278 G HA2 0.160 4.100 3.960 -0.034 0.000 0.272 278 G HA3 0.160 4.100 3.960 -0.034 0.000 0.272 278 G C -0.707 174.219 174.900 0.042 0.000 1.208 278 G CA -0.686 44.421 45.100 0.012 0.000 0.856 278 G HN 0.657 nan 8.290 nan 0.000 0.500 279 K N 1.665 122.082 120.400 0.029 0.000 2.524 279 K HA -0.006 4.294 4.320 -0.034 0.000 0.279 279 K C 0.661 177.292 176.600 0.051 0.000 0.993 279 K CA 0.506 56.813 56.287 0.033 0.000 1.030 279 K CB 0.507 33.018 32.500 0.018 0.000 0.891 279 K HN 0.499 nan 8.250 nan 0.000 0.488 280 R N 1.386 121.921 120.500 0.058 0.000 2.490 280 R HA 0.068 4.388 4.340 -0.034 0.000 0.278 280 R C 0.389 176.732 176.300 0.072 0.000 1.069 280 R CA -0.252 55.901 56.100 0.087 0.000 1.080 280 R CB 1.252 31.601 30.300 0.081 0.000 1.030 280 R HN 0.488 nan 8.270 nan 0.000 0.491 281 S N 0.828 116.584 115.700 0.094 0.000 2.632 281 S HA 0.444 4.894 4.470 -0.034 0.000 0.267 281 S C -0.490 174.141 174.600 0.052 0.000 1.276 281 S CA -0.604 57.641 58.200 0.075 0.000 0.998 281 S CB 0.833 64.093 63.200 0.099 0.000 0.953 281 S HN 0.299 nan 8.310 nan 0.000 0.547 282 V N 3.214 123.152 119.914 0.039 0.000 2.808 282 V HA 0.643 4.743 4.120 -0.034 0.000 0.308 282 V C -0.718 175.386 176.094 0.017 0.000 1.099 282 V CA -0.841 61.473 62.300 0.024 0.000 0.920 282 V CB 2.041 33.875 31.823 0.019 0.000 1.014 282 V HN 0.849 nan 8.190 nan 0.000 0.425 283 K N 2.788 123.190 120.400 0.004 0.000 2.561 283 K HA 0.496 4.796 4.320 -0.034 0.000 0.254 283 K C -1.316 175.265 176.600 -0.032 0.000 0.942 283 K CA -0.619 55.665 56.287 -0.005 0.000 0.818 283 K CB 3.183 35.684 32.500 0.001 0.000 1.306 283 K HN 1.001 nan 8.250 nan 0.000 0.435 284 E N 2.652 122.815 120.200 -0.061 0.000 2.339 284 E HA 0.650 4.980 4.350 -0.034 0.000 0.262 284 E C -0.759 175.709 176.600 -0.220 0.000 0.934 284 E CA -1.054 55.270 56.400 -0.125 0.000 0.802 284 E CB 1.834 31.450 29.700 -0.139 0.000 1.275 284 E HN 0.202 nan 8.360 nan 0.000 0.427 285 I N 0.652 121.059 120.570 -0.272 0.000 2.689 285 I HA 0.290 4.440 4.170 -0.034 0.000 0.299 285 I C -0.173 175.722 176.117 -0.370 0.000 1.059 285 I CA -0.657 60.496 61.300 -0.245 0.000 1.055 285 I CB 1.734 39.680 38.000 -0.091 0.000 1.243 285 I HN 0.448 nan 8.210 nan 0.000 0.425 286 H N 5.050 124.131 119.070 0.018 0.000 2.676 286 H HA 0.920 5.456 4.556 -0.033 0.000 0.352 286 H C -1.151 174.193 175.328 0.027 0.000 1.193 286 H CA -0.792 55.269 56.048 0.022 0.000 1.243 286 H CB 1.932 31.707 29.762 0.021 0.000 1.751 286 H HN 0.260 nan 8.280 nan 0.000 0.567 287 L N -0.396 120.923 121.223 0.159 0.000 3.055 287 L HA 0.127 4.447 4.340 -0.034 0.000 0.260 287 L C -0.646 176.283 176.870 0.099 0.000 0.986 287 L CA -1.111 53.795 54.840 0.110 0.000 1.009 287 L CB -0.203 41.906 42.059 0.083 0.000 1.508 287 L HN 0.625 nan 8.230 nan 0.000 0.407 288 D N 0.148 120.614 120.400 0.110 0.000 2.393 288 D HA 0.163 4.783 4.640 -0.034 0.000 0.246 288 D C 0.584 176.927 176.300 0.072 0.000 1.275 288 D CA -0.239 53.837 54.000 0.126 0.000 0.979 288 D CB 0.525 41.460 40.800 0.224 0.000 1.101 288 D HN 0.739 nan 8.370 nan 0.000 0.505 289 K N -1.167 119.230 120.400 -0.005 0.000 2.585 289 K HA -0.130 4.170 4.320 -0.034 0.000 0.194 289 K C 0.518 176.899 176.600 -0.364 0.000 1.037 289 K CA 1.051 57.204 56.287 -0.223 0.000 0.964 289 K CB -0.506 31.773 32.500 -0.368 0.000 0.787 289 K HN 0.391 nan 8.250 nan 0.000 0.488 290 Y N -0.350 119.965 120.300 0.024 0.000 2.481 290 Y HA 0.255 4.785 4.550 -0.034 0.000 0.247 290 Y C 1.612 177.527 175.900 0.025 0.000 1.151 290 Y CA -0.043 58.070 58.100 0.022 0.000 1.238 290 Y CB 1.372 39.842 38.460 0.017 0.000 1.179 290 Y HN 0.266 nan 8.280 nan 0.000 0.524 291 G N 0.810 109.694 108.800 0.140 0.000 2.253 291 G HA2 -0.370 3.570 3.960 -0.034 0.000 0.251 291 G HA3 -0.370 3.570 3.960 -0.034 0.000 0.251 291 G C 0.034 174.981 174.900 0.078 0.000 0.998 291 G CA 0.178 45.337 45.100 0.099 0.000 0.621 291 G HN 0.491 nan 8.290 nan 0.000 0.524 292 N N 0.508 119.263 118.700 0.091 0.000 2.454 292 N HA 0.382 5.102 4.740 -0.034 0.000 0.260 292 N C 0.323 175.863 175.510 0.050 0.000 1.218 292 N CA 0.235 53.318 53.050 0.055 0.000 0.904 292 N CB 0.492 39.012 38.487 0.056 0.000 1.065 292 N HN 0.543 nan 8.380 nan 0.000 0.462 293 M N 0.945 120.561 119.600 0.027 0.000 2.249 293 M HA 0.034 4.494 4.480 -0.034 0.000 0.340 293 M C 0.517 176.850 176.300 0.055 0.000 1.166 293 M CA 0.824 56.141 55.300 0.029 0.000 1.115 293 M CB 0.543 33.143 32.600 0.000 0.000 1.606 293 M HN 0.609 nan 8.290 nan 0.000 0.448 294 E N 1.384 121.626 120.200 0.071 0.000 2.485 294 E HA 0.215 4.545 4.350 -0.034 0.000 0.213 294 E C -0.642 176.012 176.600 0.090 0.000 0.923 294 E CA 0.430 56.879 56.400 0.083 0.000 1.054 294 E CB 0.847 30.610 29.700 0.103 0.000 1.077 294 E HN 0.753 nan 8.360 nan 0.000 0.509 295 S N -0.563 115.193 115.700 0.094 0.000 2.963 295 S HA 0.004 4.454 4.470 -0.034 0.000 0.249 295 S C -1.078 173.581 174.600 0.099 0.000 0.669 295 S CA -0.450 57.807 58.200 0.095 0.000 0.892 295 S CB -0.138 63.120 63.200 0.095 0.000 1.119 295 S HN -0.103 nan 8.310 nan 0.000 0.578 296 V N 2.979 122.932 119.914 0.065 0.000 3.134 296 V HA 0.842 4.941 4.120 -0.034 0.000 0.313 296 V C 0.163 176.292 176.094 0.059 0.000 1.069 296 V CA 0.654 62.978 62.300 0.041 0.000 1.048 296 V CB 1.798 33.634 31.823 0.021 0.000 1.119 296 V HN 1.031 nan 8.190 nan 0.000 0.461 297 D N -0.320 120.104 120.400 0.040 0.000 2.706 297 D HA 0.311 4.931 4.640 -0.034 0.000 0.225 297 D C -1.237 175.084 176.300 0.035 0.000 1.241 297 D CA -0.312 53.722 54.000 0.056 0.000 0.784 297 D CB 1.971 42.834 40.800 0.106 0.000 1.521 297 D HN 0.436 nan 8.370 nan 0.000 0.461 298 T N 3.635 118.213 114.554 0.039 0.000 2.753 298 T HA 0.317 4.647 4.350 -0.034 0.000 0.297 298 T C 1.422 176.142 174.700 0.034 0.000 0.981 298 T CA -0.493 61.626 62.100 0.032 0.000 0.956 298 T CB 0.709 69.596 68.868 0.031 0.000 0.936 298 T HN 0.409 nan 8.240 nan 0.000 0.463 299 I N 1.311 121.898 120.570 0.028 0.000 2.193 299 I HA 0.069 4.219 4.170 -0.034 0.000 0.240 299 I C 1.266 177.399 176.117 0.025 0.000 1.084 299 I CA 1.129 62.446 61.300 0.027 0.000 1.365 299 I CB 0.273 38.284 38.000 0.020 0.000 1.064 299 I HN 0.552 nan 8.210 nan 0.000 0.410 300 E N 0.969 121.184 120.200 0.025 0.000 2.311 300 E HA 0.219 4.548 4.350 -0.034 0.000 0.281 300 E C -1.166 175.452 176.600 0.031 0.000 0.905 300 E CA -0.405 56.010 56.400 0.025 0.000 0.778 300 E CB 1.586 31.298 29.700 0.021 0.000 1.240 300 E HN 0.111 nan 8.360 nan 0.000 0.410 301 E N 1.002 121.222 120.200 0.033 0.000 2.390 301 E HA 0.342 4.672 4.350 -0.034 0.000 0.261 301 E C 0.336 176.961 176.600 0.042 0.000 1.076 301 E CA -0.042 56.383 56.400 0.041 0.000 0.905 301 E CB 0.790 30.513 29.700 0.039 0.000 0.984 301 E HN 0.503 nan 8.360 nan 0.000 0.427 302 G N 0.574 109.409 108.800 0.057 0.000 2.569 302 G HA2 0.285 4.225 3.960 -0.034 0.000 0.249 302 G HA3 0.285 4.225 3.960 -0.034 0.000 0.249 302 G C 0.008 174.923 174.900 0.024 0.000 1.216 302 G CA -0.226 44.905 45.100 0.052 0.000 0.845 302 G HN 0.451 nan 8.290 nan 0.000 0.568 303 S N 0.084 115.789 115.700 0.007 0.000 2.667 303 S HA 0.616 5.066 4.470 -0.034 0.000 0.292 303 S C 0.170 174.738 174.600 -0.053 0.000 1.108 303 S CA -0.643 57.548 58.200 -0.015 0.000 0.992 303 S CB 1.513 64.709 63.200 -0.007 0.000 1.269 303 S HN 0.690 nan 8.310 nan 0.000 0.528 304 K N -0.935 119.429 120.400 -0.060 0.000 2.245 304 K HA 0.598 4.898 4.320 -0.034 0.000 0.234 304 K C 0.414 176.980 176.600 -0.057 0.000 1.021 304 K CA -0.597 55.630 56.287 -0.100 0.000 0.898 304 K CB 1.097 33.539 32.500 -0.097 0.000 1.163 304 K HN 0.810 nan 8.250 nan 0.000 0.459 305 G N 0.694 109.456 108.800 -0.063 0.000 2.588 305 G HA2 0.116 4.056 3.960 -0.034 0.000 0.281 305 G HA3 0.116 4.056 3.960 -0.034 0.000 0.281 305 G C -0.413 174.493 174.900 0.011 0.000 1.236 305 G CA -0.552 44.539 45.100 -0.014 0.000 0.969 305 G HN 0.606 nan 8.290 nan 0.000 0.504 306 N N -0.588 118.131 118.700 0.032 0.000 2.424 306 N HA 0.160 4.880 4.740 -0.034 0.000 0.257 306 N C 0.163 175.716 175.510 0.071 0.000 1.250 306 N CA -0.014 53.066 53.050 0.050 0.000 0.946 306 N CB 0.673 39.186 38.487 0.044 0.000 1.175 306 N HN 0.592 nan 8.380 nan 0.000 0.477 307 N N -0.342 118.428 118.700 0.117 0.000 2.671 307 N HA 0.625 5.344 4.740 -0.034 0.000 0.303 307 N C -0.797 174.818 175.510 0.174 0.000 1.277 307 N CA -0.665 52.485 53.050 0.166 0.000 0.933 307 N CB 1.764 40.427 38.487 0.294 0.000 1.190 307 N HN 0.364 nan 8.380 nan 0.000 0.600 308 I N 0.467 121.155 120.570 0.197 0.000 2.611 308 I HA 0.213 4.363 4.170 -0.034 0.000 0.287 308 I C -1.639 174.575 176.117 0.162 0.000 1.184 308 I CA -0.415 60.956 61.300 0.119 0.000 1.054 308 I CB 1.238 39.225 38.000 -0.021 0.000 1.257 308 I HN 0.391 nan 8.210 nan 0.000 0.435 309 K N 7.569 128.096 120.400 0.211 0.000 2.206 309 K HA 0.618 4.918 4.320 -0.034 0.000 0.264 309 K C -1.039 175.621 176.600 0.100 0.000 0.967 309 K CA -0.625 55.744 56.287 0.138 0.000 0.844 309 K CB 1.476 33.984 32.500 0.014 0.000 1.099 309 K HN 0.557 nan 8.250 nan 0.000 0.441 310 L N 2.198 123.464 121.223 0.073 0.000 2.439 310 L HA 0.206 4.526 4.340 -0.034 0.000 0.259 310 L C 1.801 178.711 176.870 0.066 0.000 1.129 310 L CA -0.388 54.488 54.840 0.061 0.000 0.803 310 L CB 1.267 43.359 42.059 0.055 0.000 1.161 310 L HN 0.846 nan 8.230 nan 0.000 0.462 311 T N -2.207 112.383 114.554 0.061 0.000 3.055 311 T HA 0.175 4.505 4.350 -0.034 0.000 0.265 311 T C 0.664 175.400 174.700 0.059 0.000 1.111 311 T CA 0.342 62.475 62.100 0.056 0.000 1.118 311 T CB -0.199 68.697 68.868 0.046 0.000 0.909 311 T HN 0.266 nan 8.240 nan 0.000 0.501 312 I N 2.203 122.813 120.570 0.067 0.000 2.365 312 I HA 0.289 4.439 4.170 -0.034 0.000 0.291 312 I C -0.178 175.997 176.117 0.097 0.000 1.004 312 I CA -0.756 60.594 61.300 0.083 0.000 1.311 312 I CB 1.208 39.250 38.000 0.070 0.000 1.401 312 I HN 0.183 nan 8.210 nan 0.000 0.491 313 D N 5.985 126.462 120.400 0.129 0.000 2.280 313 D HA 0.147 4.767 4.640 -0.034 0.000 0.236 313 D C 0.806 177.176 176.300 0.117 0.000 1.082 313 D CA -0.470 53.614 54.000 0.140 0.000 0.834 313 D CB 1.792 42.720 40.800 0.214 0.000 1.100 313 D HN 0.416 nan 8.370 nan 0.000 0.486 314 L N 4.876 126.152 121.223 0.089 0.000 1.957 314 L HA -0.304 4.016 4.340 -0.034 0.000 0.228 314 L C 2.586 179.480 176.870 0.040 0.000 1.086 314 L CA 2.707 57.580 54.840 0.054 0.000 0.796 314 L CB -0.557 41.531 42.059 0.049 0.000 0.900 314 L HN 0.686 nan 8.230 nan 0.000 0.439 315 A N -1.275 121.583 122.820 0.064 0.000 1.954 315 A HA -0.361 3.939 4.320 -0.034 0.000 0.222 315 A C 2.203 179.792 177.584 0.008 0.000 1.199 315 A CA 2.563 54.633 52.037 0.055 0.000 0.657 315 A CB -1.263 17.810 19.000 0.122 0.000 0.823 315 A HN 0.582 nan 8.150 nan 0.000 0.463 316 F N 0.371 120.183 119.950 -0.230 0.000 2.128 316 F HA -0.097 4.409 4.527 -0.034 0.000 0.295 316 F C 2.462 178.160 175.800 -0.170 0.000 1.100 316 F CA 2.061 59.855 58.000 -0.345 0.000 1.260 316 F CB -0.709 37.894 39.000 -0.661 0.000 1.009 316 F HN 0.370 nan 8.300 nan 0.000 0.476 317 Q N 0.632 120.307 119.800 -0.208 0.000 2.096 317 Q HA -0.238 4.082 4.340 -0.034 0.000 0.204 317 Q C 1.814 177.667 176.000 -0.246 0.000 0.982 317 Q CA 2.403 58.047 55.803 -0.265 0.000 0.850 317 Q CB -0.615 28.075 28.738 -0.079 0.000 0.901 317 Q HN 0.395 nan 8.270 nan 0.000 0.422 318 D N -0.453 119.857 120.400 -0.150 0.000 2.104 318 D HA -0.149 4.471 4.640 -0.034 0.000 0.194 318 D C 2.056 178.276 176.300 -0.133 0.000 0.994 318 D CA 1.894 55.830 54.000 -0.108 0.000 0.830 318 D CB -0.358 40.410 40.800 -0.052 0.000 0.959 318 D HN 0.501 nan 8.370 nan 0.000 0.452 319 S N -0.257 115.347 115.700 -0.159 0.000 2.428 319 S HA -0.063 4.387 4.470 -0.034 0.000 0.230 319 S C 2.201 176.681 174.600 -0.199 0.000 1.014 319 S CA 0.483 58.601 58.200 -0.136 0.000 0.957 319 S CB -0.450 62.707 63.200 -0.073 0.000 0.784 319 S HN 0.062 nan 8.310 nan 0.000 0.499 320 V N 2.715 122.406 119.914 -0.372 0.000 2.568 320 V HA -0.163 3.937 4.120 -0.034 0.000 0.253 320 V C 2.149 178.130 176.094 -0.188 0.000 1.072 320 V CA 2.168 64.263 62.300 -0.341 0.000 1.084 320 V CB -0.772 30.743 31.823 -0.513 0.000 0.676 320 V HN 0.470 nan 8.190 nan 0.000 0.469 321 D N 0.187 120.484 120.400 -0.172 0.000 2.137 321 D HA -0.003 4.617 4.640 -0.034 0.000 0.202 321 D C 2.255 178.500 176.300 -0.092 0.000 0.970 321 D CA 1.411 55.335 54.000 -0.127 0.000 0.837 321 D CB -0.327 40.401 40.800 -0.119 0.000 0.981 321 D HN 0.415 nan 8.370 nan 0.000 0.475 322 A N 1.182 123.954 122.820 -0.079 0.000 1.902 322 A HA -0.146 4.154 4.320 -0.034 0.000 0.217 322 A C 2.136 179.696 177.584 -0.039 0.000 1.181 322 A CA 1.150 53.154 52.037 -0.056 0.000 0.623 322 A CB -0.822 18.149 19.000 -0.049 0.000 0.818 322 A HN 0.254 nan 8.150 nan 0.000 0.443 323 L N -0.692 120.510 121.223 -0.035 0.000 2.021 323 L HA -0.212 4.108 4.340 -0.034 0.000 0.215 323 L C 2.131 179.050 176.870 0.081 0.000 1.074 323 L CA 2.043 56.892 54.840 0.016 0.000 0.760 323 L CB -0.716 41.364 42.059 0.036 0.000 0.889 323 L HN 0.262 nan 8.230 nan 0.000 0.433 324 L N -0.019 121.219 121.223 0.024 0.000 2.017 324 L HA -0.222 4.098 4.340 -0.034 0.000 0.208 324 L C 2.659 179.552 176.870 0.039 0.000 1.073 324 L CA 2.181 57.032 54.840 0.017 0.000 0.745 324 L CB -1.268 40.733 42.059 -0.098 0.000 0.894 324 L HN 0.502 nan 8.230 nan 0.000 0.432 325 K N -1.109 119.285 120.400 -0.010 0.000 2.009 325 K HA -0.218 4.082 4.320 -0.034 0.000 0.210 325 K C 2.384 179.015 176.600 0.052 0.000 1.049 325 K CA 1.804 58.093 56.287 0.004 0.000 0.929 325 K CB -0.298 32.182 32.500 -0.033 0.000 0.714 325 K HN 0.255 nan 8.250 nan 0.000 0.440 326 S N -0.345 115.358 115.700 0.004 0.000 2.369 326 S HA -0.226 4.224 4.470 -0.034 0.000 0.225 326 S C 2.007 176.590 174.600 -0.029 0.000 1.043 326 S CA 1.607 59.775 58.200 -0.054 0.000 1.074 326 S CB -0.548 62.565 63.200 -0.145 0.000 0.962 326 S HN 0.485 nan 8.310 nan 0.000 0.433 327 Y N 0.138 120.457 120.300 0.032 0.000 2.224 327 Y HA 0.017 4.547 4.550 -0.034 0.000 0.289 327 Y C 2.103 178.049 175.900 0.077 0.000 1.146 327 Y CA 1.259 59.389 58.100 0.050 0.000 1.182 327 Y CB -0.784 37.710 38.460 0.057 0.000 0.983 327 Y HN 0.411 nan 8.280 nan 0.000 0.524 328 F N 0.797 120.806 119.950 0.099 0.000 2.084 328 F HA -0.237 4.270 4.527 -0.033 0.000 0.296 328 F C 2.195 178.008 175.800 0.020 0.000 1.111 328 F CA 1.551 59.560 58.000 0.016 0.000 1.224 328 F CB -0.459 38.458 39.000 -0.138 0.000 0.991 328 F HN -0.028 nan 8.300 nan 0.000 0.471 329 N N -0.149 118.670 118.700 0.199 0.000 2.184 329 N HA -0.232 4.488 4.740 -0.034 0.000 0.190 329 N C 2.103 177.615 175.510 0.003 0.000 1.011 329 N CA 1.477 54.577 53.050 0.083 0.000 0.867 329 N CB -0.768 37.750 38.487 0.053 0.000 0.993 329 N HN 0.288 nan 8.380 nan 0.000 0.433 330 S N 0.665 116.371 115.700 0.010 0.000 2.368 330 S HA -0.098 4.352 4.470 -0.034 0.000 0.225 330 S C 1.511 176.085 174.600 -0.043 0.000 1.030 330 S CA 0.974 59.169 58.200 -0.009 0.000 0.999 330 S CB 0.056 63.273 63.200 0.028 0.000 0.844 330 S HN 0.243 nan 8.310 nan 0.000 0.459 331 E N 0.387 120.539 120.200 -0.079 0.000 2.299 331 E HA 0.046 4.376 4.350 -0.034 0.000 0.193 331 E C 1.869 178.335 176.600 -0.223 0.000 0.998 331 E CA 0.281 56.583 56.400 -0.163 0.000 0.851 331 E CB -0.293 29.293 29.700 -0.190 0.000 0.795 331 E HN 0.400 nan 8.360 nan 0.000 0.492 332 L N 1.324 122.407 121.223 -0.234 0.000 2.179 332 L HA -0.058 4.262 4.340 -0.034 0.000 0.208 332 L C 2.236 179.050 176.870 -0.093 0.000 1.096 332 L CA 1.291 56.026 54.840 -0.175 0.000 0.779 332 L CB -0.080 41.926 42.059 -0.088 0.000 0.922 332 L HN -0.035 nan 8.230 nan 0.000 0.443 333 E N 0.673 120.829 120.200 -0.072 0.000 2.008 333 E HA -0.219 4.111 4.350 -0.034 0.000 0.191 333 E C 1.489 178.054 176.600 -0.059 0.000 0.986 333 E CA 1.546 57.916 56.400 -0.050 0.000 0.807 333 E CB -0.293 29.384 29.700 -0.038 0.000 0.766 333 E HN 0.696 nan 8.360 nan 0.000 0.450 334 N N -0.423 118.237 118.700 -0.066 0.000 2.515 334 N HA 0.033 4.752 4.740 -0.034 0.000 0.191 334 N C 1.092 176.552 175.510 -0.082 0.000 1.182 334 N CA 1.257 54.268 53.050 -0.067 0.000 0.879 334 N CB 0.149 38.599 38.487 -0.062 0.000 0.984 334 N HN 0.311 nan 8.380 nan 0.000 0.453 335 G N -1.888 106.853 108.800 -0.097 0.000 2.175 335 G HA2 -0.243 3.696 3.960 -0.034 0.000 0.244 335 G HA3 -0.243 3.696 3.960 -0.034 0.000 0.244 335 G C 1.015 175.837 174.900 -0.130 0.000 0.982 335 G CA 0.134 45.170 45.100 -0.107 0.000 0.641 335 G HN 0.666 nan 8.290 nan 0.000 0.527 336 G N 0.383 109.095 108.800 -0.147 0.000 2.470 336 G HA2 0.260 4.200 3.960 -0.034 0.000 0.220 336 G HA3 0.260 4.200 3.960 -0.034 0.000 0.220 336 G C 1.569 176.364 174.900 -0.176 0.000 1.121 336 G CA 2.107 47.103 45.100 -0.173 0.000 0.766 336 G HN 1.643 nan 8.290 nan 0.000 0.553 337 A N -0.007 122.698 122.820 -0.191 0.000 2.348 337 A HA 0.345 4.644 4.320 -0.034 0.000 0.224 337 A C 1.927 179.497 177.584 -0.024 0.000 1.227 337 A CA 1.047 52.979 52.037 -0.175 0.000 0.885 337 A CB -0.163 18.533 19.000 -0.506 0.000 0.933 337 A HN 0.361 nan 8.150 nan 0.000 0.506 338 K N -0.680 119.685 120.400 -0.059 0.000 2.077 338 K HA -0.235 4.064 4.320 -0.034 0.000 0.213 338 K C 0.720 177.388 176.600 0.113 0.000 1.051 338 K CA 2.074 58.332 56.287 -0.048 0.000 0.929 338 K CB -0.338 32.005 32.500 -0.262 0.000 0.715 338 K HN 0.435 nan 8.250 nan 0.000 0.451 339 Y N 0.639 121.023 120.300 0.140 0.000 2.468 339 Y HA 0.261 4.791 4.550 -0.033 0.000 0.268 339 Y C 0.534 176.611 175.900 0.296 0.000 1.177 339 Y CA -0.530 57.665 58.100 0.159 0.000 1.265 339 Y CB 0.296 38.775 38.460 0.032 0.000 1.103 339 Y HN -0.027 nan 8.280 nan 0.000 0.522 340 S N 0.414 116.419 115.700 0.508 0.000 2.545 340 S HA 0.116 4.566 4.470 -0.034 0.000 0.275 340 S C 0.960 175.966 174.600 0.677 0.000 1.299 340 S CA -0.435 58.103 58.200 0.564 0.000 1.048 340 S CB 0.897 64.427 63.200 0.551 0.000 0.938 340 S HN 0.397 nan 8.310 nan 0.000 0.496 341 E N 3.205 123.713 120.200 0.513 0.000 2.158 341 E HA 0.327 4.656 4.350 -0.034 0.000 0.191 341 E C 1.149 177.962 176.600 0.356 0.000 0.982 341 E CA 0.594 57.235 56.400 0.401 0.000 0.823 341 E CB -0.049 29.857 29.700 0.344 0.000 0.766 341 E HN 0.780 nan 8.360 nan 0.000 0.468 342 G N -0.872 108.122 108.800 0.324 0.000 2.404 342 G HA2 0.308 4.248 3.960 -0.034 0.000 0.253 342 G HA3 0.308 4.248 3.960 -0.034 0.000 0.253 342 G C -1.770 172.979 174.900 -0.253 0.000 1.253 342 G CA -0.247 44.839 45.100 -0.024 0.000 0.917 342 G HN 0.178 nan 8.290 nan 0.000 0.480 343 V N -0.195 119.242 119.914 -0.795 0.000 2.891 343 V HA 0.794 4.893 4.120 -0.034 0.000 0.304 343 V C -1.928 173.581 176.094 -0.975 0.000 1.171 343 V CA -0.849 60.972 62.300 -0.799 0.000 0.943 343 V CB 1.715 32.999 31.823 -0.898 0.000 1.037 343 V HN 0.899 nan 8.190 nan 0.000 0.427 344 Y N 3.632 123.800 120.300 -0.220 0.000 2.512 344 Y HA 0.906 5.438 4.550 -0.031 0.000 0.348 344 Y C 0.194 176.037 175.900 -0.095 0.000 0.990 344 Y CA -0.282 57.740 58.100 -0.130 0.000 1.033 344 Y CB 2.549 40.964 38.460 -0.076 0.000 1.259 344 Y HN 0.900 nan 8.280 nan 0.000 0.461 345 A N 1.639 124.512 122.820 0.088 0.000 2.488 345 A HA 0.723 5.023 4.320 -0.034 0.000 0.295 345 A C -2.104 175.510 177.584 0.050 0.000 1.045 345 A CA -0.669 51.392 52.037 0.041 0.000 0.703 345 A CB 1.479 20.471 19.000 -0.014 0.000 1.271 345 A HN 0.606 nan 8.150 nan 0.000 0.400 346 V N 1.540 121.488 119.914 0.057 0.000 2.789 346 V HA 0.891 4.990 4.120 -0.034 0.000 0.311 346 V C -0.202 175.920 176.094 0.046 0.000 1.073 346 V CA 0.197 62.528 62.300 0.051 0.000 0.921 346 V CB 1.839 33.700 31.823 0.063 0.000 1.009 346 V HN 1.939 nan 8.190 nan 0.000 0.426 347 A N 6.438 129.280 122.820 0.037 0.000 2.374 347 A HA 0.970 5.270 4.320 -0.034 0.000 0.317 347 A C -1.427 176.148 177.584 -0.014 0.000 1.094 347 A CA -0.627 51.422 52.037 0.019 0.000 0.765 347 A CB 1.583 20.611 19.000 0.047 0.000 1.268 347 A HN 0.851 nan 8.150 nan 0.000 0.438 348 L N 0.787 121.981 121.223 -0.048 0.000 2.341 348 L HA 0.466 4.786 4.340 -0.034 0.000 0.254 348 L C -0.595 176.215 176.870 -0.099 0.000 1.040 348 L CA -1.128 53.680 54.840 -0.054 0.000 0.837 348 L CB 2.170 44.222 42.059 -0.012 0.000 1.425 348 L HN 0.768 nan 8.230 nan 0.000 0.414 349 N N 2.250 120.906 118.700 -0.073 0.000 2.414 349 N HA 0.214 4.934 4.740 -0.034 0.000 0.256 349 N C -1.979 173.517 175.510 -0.023 0.000 1.029 349 N CA -1.825 51.197 53.050 -0.046 0.000 0.948 349 N CB 1.809 40.279 38.487 -0.029 0.000 1.102 349 N HN 0.277 nan 8.380 nan 0.000 0.496 350 P HA -0.078 nan 4.420 nan 0.000 0.219 350 P C 0.468 177.748 177.300 -0.034 0.000 1.150 350 P CA 1.305 64.382 63.100 -0.038 0.000 0.814 350 P CB 0.651 32.305 31.700 -0.077 0.000 0.787 351 K N -0.456 119.930 120.400 -0.023 0.000 2.186 351 K HA 0.008 4.308 4.320 -0.034 0.000 0.202 351 K C 2.020 178.618 176.600 -0.003 0.000 1.052 351 K CA 1.772 58.050 56.287 -0.015 0.000 0.965 351 K CB -0.316 32.182 32.500 -0.005 0.000 0.746 351 K HN 0.253 nan 8.250 nan 0.000 0.457 352 T N -4.140 110.415 114.554 0.003 0.000 2.971 352 T HA 0.218 4.548 4.350 -0.034 0.000 0.252 352 T C 1.436 176.143 174.700 0.012 0.000 1.022 352 T CA 0.344 62.450 62.100 0.010 0.000 0.980 352 T CB 0.788 69.665 68.868 0.015 0.000 1.044 352 T HN 0.246 nan 8.240 nan 0.000 0.501 353 G N 1.733 110.537 108.800 0.007 0.000 2.162 353 G HA2 -0.072 3.867 3.960 -0.034 0.000 0.260 353 G HA3 -0.072 3.867 3.960 -0.034 0.000 0.260 353 G C 0.350 175.261 174.900 0.018 0.000 0.976 353 G CA 0.051 45.160 45.100 0.014 0.000 0.655 353 G HN 1.240 nan 8.290 nan 0.000 0.533 354 A N -0.459 122.367 122.820 0.011 0.000 2.407 354 A HA 0.656 4.956 4.320 -0.034 0.000 0.248 354 A C 0.644 178.228 177.584 0.000 0.000 1.082 354 A CA 0.366 52.411 52.037 0.012 0.000 0.785 354 A CB 0.885 19.890 19.000 0.007 0.000 1.020 354 A HN 1.176 nan 8.150 nan 0.000 0.489 355 V N 3.809 123.732 119.914 0.015 0.000 2.465 355 V HA 0.156 4.256 4.120 -0.034 0.000 0.279 355 V C 1.126 177.223 176.094 0.004 0.000 1.045 355 V CA -0.108 62.200 62.300 0.013 0.000 0.938 355 V CB 0.959 32.803 31.823 0.034 0.000 0.986 355 V HN 0.877 nan 8.190 nan 0.000 0.467 356 L N 3.059 124.272 121.223 -0.016 0.000 2.221 356 L HA 0.218 4.538 4.340 -0.034 0.000 0.202 356 L C 0.828 177.798 176.870 0.167 0.000 1.074 356 L CA 0.825 55.664 54.840 -0.002 0.000 0.795 356 L CB 0.248 42.189 42.059 -0.196 0.000 0.960 356 L HN 0.853 nan 8.230 nan 0.000 0.458 357 S N -0.575 115.199 115.700 0.123 0.000 2.543 357 S HA 0.598 5.048 4.470 -0.034 0.000 0.274 357 S C -0.985 173.629 174.600 0.023 0.000 1.149 357 S CA -0.872 57.368 58.200 0.067 0.000 0.866 357 S CB 1.629 64.824 63.200 -0.010 0.000 1.111 357 S HN 0.093 nan 8.310 nan 0.000 0.457 358 M N 2.508 122.111 119.600 0.006 0.000 2.093 358 M HA 0.586 5.046 4.480 -0.034 0.000 0.297 358 M C -0.875 175.424 176.300 -0.001 0.000 0.938 358 M CA -0.377 54.931 55.300 0.013 0.000 0.920 358 M CB 1.978 34.589 32.600 0.019 0.000 1.517 358 M HN 0.661 nan 8.290 nan 0.000 0.427 359 S N 1.048 116.749 115.700 0.001 0.000 2.638 359 S HA 1.033 5.483 4.470 -0.034 0.000 0.302 359 S C -0.193 174.419 174.600 0.019 0.000 1.096 359 S CA -0.960 57.224 58.200 -0.027 0.000 0.953 359 S CB 2.359 65.506 63.200 -0.088 0.000 1.107 359 S HN 0.931 nan 8.310 nan 0.000 0.503 360 G N 0.107 108.879 108.800 -0.046 0.000 2.547 360 G HA2 0.561 4.500 3.960 -0.034 0.000 0.291 360 G HA3 0.561 4.500 3.960 -0.034 0.000 0.291 360 G C -2.251 172.454 174.900 -0.325 0.000 1.471 360 G CA -0.559 44.456 45.100 -0.141 0.000 0.798 360 G HN 0.494 nan 8.290 nan 0.000 0.504 361 I N 0.844 121.013 120.570 -0.669 0.000 2.560 361 I HA 0.338 4.488 4.170 -0.034 0.000 0.283 361 I C -0.023 175.778 176.117 -0.527 0.000 1.115 361 I CA -1.029 59.950 61.300 -0.534 0.000 1.066 361 I CB 1.462 39.080 38.000 -0.637 0.000 1.221 361 I HN 0.572 nan 8.210 nan 0.000 0.450 362 K N 5.137 125.407 120.400 -0.217 0.000 2.237 362 K HA 0.265 4.565 4.320 -0.034 0.000 0.270 362 K C -0.342 176.214 176.600 -0.073 0.000 1.015 362 K CA -0.153 56.105 56.287 -0.049 0.000 0.949 362 K CB 0.879 33.406 32.500 0.045 0.000 0.976 362 K HN 0.680 nan 8.250 nan 0.000 0.472 363 H N 2.886 121.905 119.070 -0.086 0.000 3.108 363 H HA 0.084 4.620 4.556 -0.034 0.000 0.329 363 H C -1.558 173.805 175.328 0.059 0.000 0.978 363 H CA -0.789 55.231 56.048 -0.047 0.000 1.413 363 H CB 1.289 31.041 29.762 -0.017 0.000 1.670 363 H HN 0.691 nan 8.280 nan 0.000 0.512 364 D N 5.888 126.153 120.400 -0.226 0.000 2.339 364 D HA 0.020 4.640 4.640 -0.034 0.000 0.256 364 D C 1.229 177.295 176.300 -0.389 0.000 1.214 364 D CA -0.269 53.599 54.000 -0.221 0.000 0.877 364 D CB 0.966 41.722 40.800 -0.073 0.000 1.111 364 D HN 0.678 nan 8.370 nan 0.000 0.478 365 L N 3.570 124.603 121.223 -0.317 0.000 2.362 365 L HA -0.124 4.195 4.340 -0.034 0.000 0.219 365 L C 2.121 178.967 176.870 -0.041 0.000 1.134 365 L CA 0.744 55.467 54.840 -0.196 0.000 0.807 365 L CB -0.090 41.965 42.059 -0.007 0.000 0.927 365 L HN 0.337 nan 8.230 nan 0.000 0.447 366 K N -0.165 120.214 120.400 -0.035 0.000 2.044 366 K HA -0.050 4.250 4.320 -0.034 0.000 0.204 366 K C 1.924 178.534 176.600 0.015 0.000 1.045 366 K CA 1.721 58.011 56.287 0.005 0.000 0.951 366 K CB -0.224 32.279 32.500 0.004 0.000 0.738 366 K HN 0.278 nan 8.250 nan 0.000 0.443 367 T N -2.711 111.850 114.554 0.010 0.000 3.069 367 T HA 0.247 4.577 4.350 -0.034 0.000 0.252 367 T C 1.481 176.213 174.700 0.053 0.000 1.053 367 T CA 0.382 62.498 62.100 0.027 0.000 0.964 367 T CB 0.572 69.452 68.868 0.020 0.000 1.005 367 T HN 0.393 nan 8.240 nan 0.000 0.532 368 G N 1.370 110.212 108.800 0.069 0.000 2.245 368 G HA2 -0.319 3.620 3.960 -0.034 0.000 0.264 368 G HA3 -0.319 3.620 3.960 -0.034 0.000 0.264 368 G C -0.015 175.024 174.900 0.233 0.000 0.985 368 G CA 0.424 45.635 45.100 0.185 0.000 0.625 368 G HN 0.814 nan 8.290 nan 0.000 0.536 369 E N 0.211 120.484 120.200 0.122 0.000 2.418 369 E HA 0.358 4.688 4.350 -0.034 0.000 0.261 369 E C -0.038 176.639 176.600 0.129 0.000 1.070 369 E CA -0.058 56.404 56.400 0.102 0.000 0.931 369 E CB 0.176 29.905 29.700 0.047 0.000 0.954 369 E HN 0.387 nan 8.360 nan 0.000 0.439 370 L N 2.843 124.105 121.223 0.065 0.000 2.313 370 L HA 0.331 4.651 4.340 -0.034 0.000 0.283 370 L C 0.043 176.889 176.870 -0.040 0.000 1.013 370 L CA -0.529 54.307 54.840 -0.006 0.000 0.816 370 L CB 1.823 43.839 42.059 -0.072 0.000 1.236 370 L HN 0.556 nan 8.230 nan 0.000 0.419 371 T N 0.395 114.914 114.554 -0.059 0.000 2.863 371 T HA 0.649 4.979 4.350 -0.034 0.000 0.285 371 T C -2.800 171.852 174.700 -0.079 0.000 1.009 371 T CA -2.247 59.824 62.100 -0.050 0.000 0.989 371 T CB 2.022 70.877 68.868 -0.021 0.000 1.004 371 T HN 0.213 nan 8.240 nan 0.000 0.455 372 P HA 0.476 nan 4.420 nan 0.000 0.279 372 P C -1.217 176.060 177.300 -0.039 0.000 1.239 372 P CA 0.002 63.056 63.100 -0.076 0.000 0.789 372 P CB 0.800 32.462 31.700 -0.063 0.000 0.933 373 D N 0.978 121.364 120.400 -0.023 0.000 2.613 373 D HA 0.224 4.844 4.640 -0.034 0.000 0.230 373 D C 0.048 176.408 176.300 0.100 0.000 1.365 373 D CA -0.397 53.637 54.000 0.057 0.000 0.976 373 D CB 1.066 41.957 40.800 0.153 0.000 1.415 373 D HN 0.013 nan 8.370 nan 0.000 0.589 374 S N 2.405 118.126 115.700 0.035 0.000 2.502 374 S HA 0.100 4.550 4.470 -0.034 0.000 0.228 374 S C 1.952 176.556 174.600 0.006 0.000 1.061 374 S CA -0.116 58.100 58.200 0.027 0.000 0.935 374 S CB 0.042 63.225 63.200 -0.028 0.000 0.809 374 S HN 0.568 nan 8.310 nan 0.000 0.510 375 L N 1.776 122.967 121.223 -0.052 0.000 2.189 375 L HA -0.118 4.202 4.340 -0.034 0.000 0.214 375 L C 2.620 179.462 176.870 -0.046 0.000 1.097 375 L CA 1.101 55.895 54.840 -0.078 0.000 0.764 375 L CB -1.344 40.649 42.059 -0.109 0.000 0.900 375 L HN 0.422 nan 8.230 nan 0.000 0.436 376 G N 0.628 109.411 108.800 -0.028 0.000 2.550 376 G HA2 -0.364 3.576 3.960 -0.034 0.000 0.222 376 G HA3 -0.364 3.576 3.960 -0.034 0.000 0.222 376 G C 1.605 176.325 174.900 -0.300 0.000 1.113 376 G CA 1.632 46.600 45.100 -0.220 0.000 0.748 376 G HN 0.507 nan 8.290 nan 0.000 0.585 377 T N -0.420 114.072 114.554 -0.103 0.000 2.833 377 T HA -0.078 4.251 4.350 -0.034 0.000 0.269 377 T C 2.121 176.811 174.700 -0.017 0.000 1.054 377 T CA 1.679 63.761 62.100 -0.030 0.000 1.135 377 T CB -0.306 68.582 68.868 0.034 0.000 0.869 377 T HN 0.691 nan 8.240 nan 0.000 0.466 378 V N -0.630 119.270 119.914 -0.025 0.000 3.528 378 V HA 0.402 4.502 4.120 -0.034 0.000 0.294 378 V C 1.736 177.822 176.094 -0.013 0.000 1.404 378 V CA 0.432 62.733 62.300 0.002 0.000 1.065 378 V CB -0.339 31.503 31.823 0.031 0.000 0.904 378 V HN 0.616 nan 8.190 nan 0.000 0.435 379 T N -3.293 111.225 114.554 -0.060 0.000 2.964 379 T HA 0.330 4.660 4.350 -0.034 0.000 0.250 379 T C 0.510 175.123 174.700 -0.145 0.000 0.982 379 T CA -0.050 62.011 62.100 -0.064 0.000 0.959 379 T CB 0.029 68.879 68.868 -0.030 0.000 1.141 379 T HN 0.436 nan 8.240 nan 0.000 0.494 380 N N 1.986 120.541 118.700 -0.241 0.000 2.384 380 N HA 0.633 5.353 4.740 -0.034 0.000 0.301 380 N C -0.909 174.204 175.510 -0.660 0.000 1.133 380 N CA -0.558 52.221 53.050 -0.452 0.000 0.853 380 N CB 2.609 40.788 38.487 -0.514 0.000 1.241 380 N HN 0.355 nan 8.380 nan 0.000 0.502 381 V N -1.751 117.638 119.914 -0.874 0.000 2.823 381 V HA 0.821 4.921 4.120 -0.034 0.000 0.312 381 V C -1.148 174.302 176.094 -1.074 0.000 1.072 381 V CA -0.737 61.120 62.300 -0.738 0.000 0.937 381 V CB 1.154 32.778 31.823 -0.330 0.000 1.013 381 V HN 0.472 nan 8.190 nan 0.000 0.430 382 F N 1.848 121.748 119.950 -0.084 0.000 2.613 382 F HA 0.737 5.245 4.527 -0.031 0.000 0.314 382 F C 0.095 175.833 175.800 -0.103 0.000 1.075 382 F CA -0.992 56.954 58.000 -0.090 0.000 0.945 382 F CB 2.045 41.024 39.000 -0.035 0.000 1.310 382 F HN 0.670 nan 8.300 nan 0.000 0.467 383 V N 1.871 121.837 119.914 0.086 0.000 2.555 383 V HA 0.356 4.456 4.120 -0.034 0.000 0.286 383 V C -2.052 174.092 176.094 0.084 0.000 1.044 383 V CA -0.968 61.340 62.300 0.014 0.000 1.026 383 V CB 1.151 32.976 31.823 0.004 0.000 0.981 383 V HN 0.695 nan 8.190 nan 0.000 0.480 384 P HA 0.273 nan 4.420 nan 0.000 0.228 384 P C 0.967 178.325 177.300 0.096 0.000 1.166 384 P CA 1.308 64.477 63.100 0.114 0.000 0.812 384 P CB 0.075 31.868 31.700 0.155 0.000 0.857 385 G N 0.695 109.555 108.800 0.100 0.000 2.562 385 G HA2 -0.286 3.654 3.960 -0.034 0.000 0.250 385 G HA3 -0.286 3.654 3.960 -0.034 0.000 0.250 385 G C 0.964 175.944 174.900 0.134 0.000 1.269 385 G CA 0.363 45.540 45.100 0.128 0.000 0.919 385 G HN 0.170 nan 8.290 nan 0.000 0.574 386 S N 0.243 116.010 115.700 0.111 0.000 2.537 386 S HA 0.012 4.462 4.470 -0.034 0.000 0.240 386 S C 2.384 177.047 174.600 0.106 0.000 0.981 386 S CA 1.789 60.053 58.200 0.106 0.000 0.948 386 S CB -0.310 62.916 63.200 0.045 0.000 0.759 386 S HN 1.809 nan 8.310 nan 0.000 0.531 387 V N 0.029 120.009 119.914 0.111 0.000 3.444 387 V HA 0.084 4.184 4.120 -0.034 0.000 0.271 387 V C 1.487 177.718 176.094 0.228 0.000 1.188 387 V CA 0.834 63.231 62.300 0.161 0.000 1.168 387 V CB -1.075 30.850 31.823 0.169 0.000 0.810 387 V HN 0.515 nan 8.190 nan 0.000 0.500 388 V N -4.210 115.780 119.914 0.128 0.000 3.528 388 V HA 0.380 4.480 4.120 -0.034 0.000 0.294 388 V C 2.072 178.288 176.094 0.203 0.000 1.404 388 V CA 0.261 62.571 62.300 0.016 0.000 1.065 388 V CB -0.101 31.620 31.823 -0.170 0.000 0.904 388 V HN 0.322 nan 8.190 nan 0.000 0.435 389 K N 1.956 122.489 120.400 0.222 0.000 2.160 389 K HA -0.037 4.263 4.320 -0.034 0.000 0.206 389 K C 2.290 179.014 176.600 0.207 0.000 1.047 389 K CA 1.914 58.323 56.287 0.205 0.000 0.930 389 K CB -0.613 31.972 32.500 0.142 0.000 0.720 389 K HN 0.653 nan 8.250 nan 0.000 0.450 390 A N 1.128 124.127 122.820 0.298 0.000 1.841 390 A HA -0.201 4.099 4.320 -0.034 0.000 0.216 390 A C 2.365 180.057 177.584 0.180 0.000 1.199 390 A CA 2.214 54.413 52.037 0.270 0.000 0.621 390 A CB -1.322 17.890 19.000 0.354 0.000 0.835 390 A HN 0.323 nan 8.150 nan 0.000 0.445 391 A N -1.079 121.845 122.820 0.174 0.000 1.935 391 A HA -0.313 3.986 4.320 -0.034 0.000 0.224 391 A C 2.311 179.973 177.584 0.130 0.000 1.324 391 A CA 3.170 55.319 52.037 0.187 0.000 0.686 391 A CB -1.716 17.563 19.000 0.466 0.000 0.837 391 A HN 0.551 nan 8.150 nan 0.000 0.481 392 T N -0.415 114.197 114.554 0.096 0.000 2.812 392 T HA -0.006 4.324 4.350 -0.034 0.000 0.264 392 T C 1.817 176.479 174.700 -0.063 0.000 1.042 392 T CA 1.370 63.438 62.100 -0.053 0.000 1.140 392 T CB -0.370 68.522 68.868 0.041 0.000 0.870 392 T HN 0.419 nan 8.240 nan 0.000 0.445 393 I N 1.541 122.073 120.570 -0.063 0.000 2.286 393 I HA -0.162 3.988 4.170 -0.034 0.000 0.248 393 I C 2.497 178.389 176.117 -0.375 0.000 1.115 393 I CA 0.959 62.100 61.300 -0.266 0.000 1.392 393 I CB -0.267 37.526 38.000 -0.344 0.000 1.065 393 I HN 0.166 nan 8.210 nan 0.000 0.418 394 S N -0.638 115.032 115.700 -0.050 0.000 2.428 394 S HA -0.134 4.316 4.470 -0.034 0.000 0.230 394 S C 2.098 176.808 174.600 0.184 0.000 1.014 394 S CA 1.229 59.572 58.200 0.238 0.000 0.957 394 S CB -0.127 63.365 63.200 0.488 0.000 0.784 394 S HN 0.389 nan 8.310 nan 0.000 0.499 395 S N 1.037 116.769 115.700 0.053 0.000 2.428 395 S HA 0.030 4.480 4.470 -0.034 0.000 0.230 395 S C 2.062 176.669 174.600 0.012 0.000 1.014 395 S CA 1.008 59.217 58.200 0.014 0.000 0.957 395 S CB -0.620 62.522 63.200 -0.096 0.000 0.784 395 S HN 0.617 nan 8.310 nan 0.000 0.499 396 G N 0.797 109.559 108.800 -0.063 0.000 2.491 396 G HA2 -0.217 3.723 3.960 -0.034 0.000 0.218 396 G HA3 -0.217 3.723 3.960 -0.034 0.000 0.218 396 G C 1.247 176.162 174.900 0.025 0.000 1.180 396 G CA 0.905 45.950 45.100 -0.092 0.000 0.774 396 G HN 0.519 nan 8.290 nan 0.000 0.562 397 W N 1.106 122.449 121.300 0.072 0.000 2.381 397 W HA 0.080 4.719 4.660 -0.034 0.000 0.301 397 W C 2.571 179.115 176.519 0.041 0.000 1.205 397 W CA 1.010 58.390 57.345 0.058 0.000 1.285 397 W CB -0.741 28.756 29.460 0.063 0.000 1.133 397 W HN 0.427 nan 8.180 nan 0.000 0.521 398 E N 0.044 120.410 120.200 0.277 0.000 2.051 398 E HA -0.173 4.157 4.350 -0.034 0.000 0.192 398 E C 1.539 178.207 176.600 0.113 0.000 0.991 398 E CA 1.046 57.542 56.400 0.159 0.000 0.799 398 E CB -0.541 29.230 29.700 0.117 0.000 0.748 398 E HN 0.289 nan 8.360 nan 0.000 0.449 399 N N 0.162 118.921 118.700 0.099 0.000 2.521 399 N HA -0.031 4.689 4.740 -0.034 0.000 0.188 399 N C 0.609 176.167 175.510 0.079 0.000 1.146 399 N CA 0.713 53.807 53.050 0.073 0.000 0.893 399 N CB 0.684 39.204 38.487 0.055 0.000 0.975 399 N HN 0.207 nan 8.380 nan 0.000 0.451 400 G N 0.994 109.862 108.800 0.113 0.000 2.295 400 G HA2 -0.241 3.699 3.960 -0.034 0.000 0.287 400 G HA3 -0.241 3.699 3.960 -0.034 0.000 0.287 400 G C 0.729 175.684 174.900 0.092 0.000 1.055 400 G CA 0.261 45.431 45.100 0.116 0.000 0.922 400 G HN 0.259 nan 8.290 nan 0.000 0.503 401 V N -0.635 119.326 119.914 0.078 0.000 3.125 401 V HA 0.304 4.404 4.120 -0.034 0.000 0.249 401 V C 1.500 177.618 176.094 0.040 0.000 1.113 401 V CA 1.211 63.538 62.300 0.045 0.000 1.106 401 V CB 0.075 31.911 31.823 0.021 0.000 0.768 401 V HN 0.440 nan 8.190 nan 0.000 0.468 402 L N -0.292 120.968 121.223 0.062 0.000 2.331 402 L HA 0.548 4.868 4.340 -0.034 0.000 0.275 402 L C -0.093 176.952 176.870 0.292 0.000 1.022 402 L CA -0.033 54.864 54.840 0.096 0.000 0.812 402 L CB 1.785 43.786 42.059 -0.096 0.000 1.257 402 L HN -0.013 nan 8.230 nan 0.000 0.435 403 S N 1.212 117.075 115.700 0.273 0.000 2.640 403 S HA 0.675 5.124 4.470 -0.034 0.000 0.320 403 S C 0.313 175.082 174.600 0.282 0.000 1.097 403 S CA 0.256 58.610 58.200 0.258 0.000 1.092 403 S CB 0.705 63.991 63.200 0.143 0.000 0.988 403 S HN 1.018 nan 8.310 nan 0.000 0.470 404 G N 4.947 113.906 108.800 0.264 0.000 2.596 404 G HA2 -0.315 3.625 3.960 -0.034 0.000 0.295 404 G HA3 -0.315 3.625 3.960 -0.034 0.000 0.295 404 G C 0.013 175.171 174.900 0.431 0.000 1.240 404 G CA 0.256 45.464 45.100 0.179 0.000 0.985 404 G HN 0.811 nan 8.290 nan 0.000 0.555 405 N N 1.393 120.260 118.700 0.277 0.000 2.605 405 N HA 0.369 5.088 4.740 -0.034 0.000 0.258 405 N C 0.292 175.954 175.510 0.253 0.000 1.156 405 N CA 0.223 53.452 53.050 0.298 0.000 1.008 405 N CB 0.437 39.039 38.487 0.191 0.000 1.354 405 N HN 0.682 nan 8.380 nan 0.000 0.509 406 Q N 1.150 121.131 119.800 0.302 0.000 2.352 406 Q HA 0.204 4.523 4.340 -0.034 0.000 0.260 406 Q C -0.625 175.520 176.000 0.242 0.000 0.976 406 Q CA 0.199 56.142 55.803 0.233 0.000 0.881 406 Q CB 0.606 29.456 28.738 0.187 0.000 1.235 406 Q HN 0.354 nan 8.270 nan 0.000 0.419 407 T N 5.047 119.691 114.554 0.150 0.000 2.749 407 T HA 0.516 4.845 4.350 -0.034 0.000 0.287 407 T C -0.426 174.308 174.700 0.056 0.000 0.970 407 T CA -0.465 61.715 62.100 0.134 0.000 0.980 407 T CB 0.223 69.144 68.868 0.088 0.000 0.924 407 T HN 0.470 nan 8.240 nan 0.000 0.456 408 L N 1.864 123.119 121.223 0.053 0.000 2.267 408 L HA 0.681 5.001 4.340 -0.034 0.000 0.264 408 L C 0.134 176.981 176.870 -0.040 0.000 1.021 408 L CA -1.194 53.596 54.840 -0.084 0.000 0.861 408 L CB 1.736 43.572 42.059 -0.372 0.000 1.443 408 L HN 0.449 nan 8.230 nan 0.000 0.475 409 T N -0.604 113.913 114.554 -0.061 0.000 2.786 409 T HA 0.198 4.527 4.350 -0.034 0.000 0.283 409 T C -0.815 173.835 174.700 -0.082 0.000 0.992 409 T CA -0.454 61.602 62.100 -0.073 0.000 0.954 409 T CB 1.310 70.173 68.868 -0.008 0.000 0.934 409 T HN 0.332 nan 8.240 nan 0.000 0.440 410 D N 3.995 124.269 120.400 -0.210 0.000 2.325 410 D HA 0.192 4.811 4.640 -0.034 0.000 0.251 410 D C -0.105 176.233 176.300 0.064 0.000 1.196 410 D CA -0.017 53.924 54.000 -0.100 0.000 0.866 410 D CB 0.563 41.236 40.800 -0.211 0.000 1.101 410 D HN 0.656 nan 8.370 nan 0.000 0.476 411 Q N 1.001 120.833 119.800 0.053 0.000 2.482 411 Q HA 0.364 4.684 4.340 -0.034 0.000 0.286 411 Q C -1.111 174.894 176.000 0.008 0.000 1.007 411 Q CA -1.006 54.841 55.803 0.073 0.000 0.801 411 Q CB 0.600 29.395 28.738 0.096 0.000 1.455 411 Q HN 0.094 nan 8.270 nan 0.000 0.398 412 S N 1.594 117.302 115.700 0.013 0.000 2.549 412 S HA 0.230 4.680 4.470 -0.034 0.000 0.283 412 S C 0.220 174.763 174.600 -0.096 0.000 1.320 412 S CA -0.250 57.927 58.200 -0.038 0.000 1.058 412 S CB 0.072 63.264 63.200 -0.013 0.000 0.882 412 S HN 0.362 nan 8.310 nan 0.000 0.498 413 I N 4.292 124.738 120.570 -0.206 0.000 2.304 413 I HA 0.343 4.493 4.170 -0.034 0.000 0.291 413 I C -0.317 175.594 176.117 -0.343 0.000 1.018 413 I CA -0.394 60.628 61.300 -0.463 0.000 1.260 413 I CB 0.517 38.211 38.000 -0.510 0.000 1.390 413 I HN 0.212 nan 8.210 nan 0.000 0.475 414 V N 7.232 126.962 119.914 -0.306 0.000 2.531 414 V HA 0.471 4.571 4.120 -0.034 0.000 0.301 414 V C -0.392 175.547 176.094 -0.258 0.000 1.034 414 V CA -0.572 61.628 62.300 -0.166 0.000 0.865 414 V CB 1.834 33.648 31.823 -0.017 0.000 0.995 414 V HN 0.364 nan 8.190 nan 0.000 0.424 415 F N 1.064 121.075 119.950 0.102 0.000 2.483 415 F HA 0.501 5.008 4.527 -0.033 0.000 0.329 415 F C 0.759 176.551 175.800 -0.014 0.000 1.064 415 F CA -0.970 57.084 58.000 0.090 0.000 0.986 415 F CB 0.867 39.944 39.000 0.129 0.000 1.218 415 F HN 0.327 nan 8.300 nan 0.000 0.484 416 Q N 1.409 121.255 119.800 0.078 0.000 2.955 416 Q HA 0.003 4.323 4.340 -0.034 0.000 0.361 416 Q C 0.878 176.843 176.000 -0.058 0.000 1.060 416 Q CA 0.952 56.637 55.803 -0.197 0.000 1.177 416 Q CB -0.486 27.861 28.738 -0.650 0.000 0.991 416 Q HN 0.947 nan 8.270 nan 0.000 0.414 417 G N 3.125 111.895 108.800 -0.049 0.000 2.412 417 G HA2 -0.256 3.684 3.960 -0.034 0.000 0.297 417 G HA3 -0.256 3.684 3.960 -0.034 0.000 0.297 417 G C -0.299 174.626 174.900 0.042 0.000 0.965 417 G CA 0.757 45.859 45.100 0.003 0.000 1.134 417 G HN 0.840 nan 8.290 nan 0.000 0.511 418 S N -1.723 114.016 115.700 0.065 0.000 2.565 418 S HA 0.846 5.296 4.470 -0.034 0.000 0.269 418 S C 0.039 174.692 174.600 0.088 0.000 1.153 418 S CA -0.202 58.051 58.200 0.088 0.000 0.835 418 S CB 1.463 64.739 63.200 0.126 0.000 1.122 418 S HN 1.937 nan 8.310 nan 0.000 0.462 419 A N 1.936 124.804 122.820 0.079 0.000 2.565 419 A HA 0.503 4.803 4.320 -0.034 0.000 0.237 419 A C -2.261 175.363 177.584 0.068 0.000 1.053 419 A CA -0.373 51.703 52.037 0.065 0.000 0.755 419 A CB -1.257 17.779 19.000 0.060 0.000 0.980 419 A HN 0.630 nan 8.150 nan 0.000 0.506 420 P HA 0.224 nan 4.420 nan 0.000 0.269 420 P C -0.678 176.636 177.300 0.023 0.000 1.217 420 P CA 0.289 63.399 63.100 0.017 0.000 0.783 420 P CB 0.328 32.030 31.700 0.004 0.000 0.898 421 I N 2.205 122.772 120.570 -0.006 0.000 2.389 421 I HA 0.320 4.470 4.170 -0.034 0.000 0.288 421 I C 0.145 176.225 176.117 -0.063 0.000 0.999 421 I CA -0.163 61.138 61.300 0.003 0.000 1.129 421 I CB 1.175 39.215 38.000 0.066 0.000 1.288 421 I HN 0.332 nan 8.210 nan 0.000 0.444 422 N N 2.779 121.429 118.700 -0.083 0.000 2.455 422 N HA 0.514 5.234 4.740 -0.034 0.000 0.278 422 N C -1.220 174.169 175.510 -0.201 0.000 1.291 422 N CA -0.738 52.235 53.050 -0.128 0.000 0.780 422 N CB 2.054 40.485 38.487 -0.093 0.000 1.520 422 N HN 0.390 nan 8.380 nan 0.000 0.486 423 S N 0.289 115.816 115.700 -0.287 0.000 2.687 423 S HA 0.149 4.599 4.470 -0.034 0.000 0.283 423 S C 1.052 175.431 174.600 -0.369 0.000 1.170 423 S CA -0.920 57.036 58.200 -0.407 0.000 1.008 423 S CB 0.518 63.238 63.200 -0.801 0.000 1.026 423 S HN 0.762 nan 8.310 nan 0.000 0.541 424 W N 2.253 123.338 121.300 -0.359 0.000 2.318 424 W HA -0.280 4.360 4.660 -0.034 0.000 0.313 424 W C 1.395 177.852 176.519 -0.103 0.000 1.221 424 W CA 1.819 59.059 57.345 -0.175 0.000 1.266 424 W CB -1.436 27.980 29.460 -0.075 0.000 1.150 424 W HN 0.947 nan 8.180 nan 0.000 0.496 425 Y N 0.650 120.338 120.300 -1.021 0.000 2.561 425 Y HA 0.174 4.704 4.550 -0.034 0.000 0.291 425 Y C 2.671 178.440 175.900 -0.219 0.000 1.141 425 Y CA 1.264 58.924 58.100 -0.733 0.000 1.303 425 Y CB -1.556 36.341 38.460 -0.939 0.000 1.015 425 Y HN -0.136 nan 8.280 nan 0.000 0.547 426 T N 0.320 114.654 114.554 -0.367 0.000 2.759 426 T HA -0.190 4.140 4.350 -0.034 0.000 0.269 426 T C 1.740 176.463 174.700 0.039 0.000 1.042 426 T CA 1.920 63.971 62.100 -0.081 0.000 1.140 426 T CB -0.170 68.586 68.868 -0.186 0.000 0.864 426 T HN 0.566 nan 8.240 nan 0.000 0.455 427 Q N -0.554 119.234 119.800 -0.020 0.000 2.331 427 Q HA 0.203 4.523 4.340 -0.034 0.000 0.203 427 Q C 2.407 178.395 176.000 -0.021 0.000 0.944 427 Q CA 0.829 56.628 55.803 -0.008 0.000 0.892 427 Q CB 0.047 28.772 28.738 -0.021 0.000 0.983 427 Q HN 0.548 nan 8.270 nan 0.000 0.482 428 A N -0.406 122.384 122.820 -0.049 0.000 1.984 428 A HA -0.061 4.239 4.320 -0.034 0.000 0.214 428 A C 1.106 178.561 177.584 -0.215 0.000 1.173 428 A CA 0.512 52.463 52.037 -0.144 0.000 0.673 428 A CB -0.244 18.630 19.000 -0.210 0.000 0.830 428 A HN 0.263 nan 8.150 nan 0.000 0.453 429 Y N 0.699 120.931 120.300 -0.114 0.000 2.462 429 Y HA 0.326 4.856 4.550 -0.034 0.000 0.293 429 Y C 1.860 177.679 175.900 -0.135 0.000 1.195 429 Y CA -0.102 57.872 58.100 -0.210 0.000 1.276 429 Y CB -0.683 37.570 38.460 -0.345 0.000 1.082 429 Y HN 0.462 nan 8.280 nan 0.000 0.514 430 G N 0.169 109.015 108.800 0.077 0.000 2.566 430 G HA2 -0.307 3.632 3.960 -0.034 0.000 0.308 430 G HA3 -0.307 3.632 3.960 -0.034 0.000 0.308 430 G C 0.048 175.089 174.900 0.235 0.000 1.317 430 G CA 0.129 45.294 45.100 0.107 0.000 0.930 430 G HN 0.310 nan 8.290 nan 0.000 0.547 431 S N -0.035 115.803 115.700 0.230 0.000 2.617 431 S HA 0.836 5.286 4.470 -0.034 0.000 0.283 431 S C -0.354 174.521 174.600 0.458 0.000 1.189 431 S CA 0.532 58.919 58.200 0.312 0.000 1.036 431 S CB 1.403 64.705 63.200 0.171 0.000 1.014 431 S HN 1.700 nan 8.310 nan 0.000 0.522 432 F N -1.230 118.748 119.950 0.047 0.000 2.793 432 F HA 0.622 5.128 4.527 -0.033 0.000 0.316 432 F C -3.538 172.285 175.800 0.039 0.000 1.147 432 F CA -2.215 55.802 58.000 0.028 0.000 0.930 432 F CB 0.125 39.122 39.000 -0.006 0.000 1.277 432 F HN 0.339 nan 8.300 nan 0.000 0.443 433 P HA 0.683 nan 4.420 nan 0.000 0.278 433 P C -1.090 176.084 177.300 -0.210 0.000 1.266 433 P CA -0.350 62.669 63.100 -0.134 0.000 0.807 433 P CB 2.548 34.255 31.700 0.011 0.000 1.094 434 I N -0.735 119.788 120.570 -0.078 0.000 2.728 434 I HA 0.195 4.344 4.170 -0.034 0.000 0.286 434 I C -0.970 175.221 176.117 0.122 0.000 1.623 434 I CA -0.377 60.908 61.300 -0.025 0.000 1.048 434 I CB 1.833 39.728 38.000 -0.175 0.000 1.474 434 I HN 0.454 nan 8.210 nan 0.000 0.439 435 T N 3.638 118.238 114.554 0.077 0.000 2.899 435 T HA 0.602 4.932 4.350 -0.034 0.000 0.284 435 T C 1.249 175.894 174.700 -0.092 0.000 1.004 435 T CA 0.143 62.295 62.100 0.086 0.000 1.043 435 T CB 1.845 70.755 68.868 0.070 0.000 1.013 435 T HN 0.789 nan 8.240 nan 0.000 0.518 436 A N 1.772 124.558 122.820 -0.055 0.000 1.917 436 A HA -0.032 4.268 4.320 -0.034 0.000 0.219 436 A C 2.403 179.864 177.584 -0.205 0.000 1.182 436 A CA 1.842 53.700 52.037 -0.299 0.000 0.633 436 A CB -1.346 17.649 19.000 -0.009 0.000 0.819 436 A HN 0.775 nan 8.150 nan 0.000 0.448 437 V N -0.163 119.726 119.914 -0.042 0.000 2.287 437 V HA -0.364 3.736 4.120 -0.034 0.000 0.248 437 V C 2.697 178.692 176.094 -0.166 0.000 1.053 437 V CA 2.469 64.754 62.300 -0.025 0.000 1.027 437 V CB -0.861 30.985 31.823 0.038 0.000 0.646 437 V HN 0.672 nan 8.190 nan 0.000 0.447 438 Q N -0.686 118.982 119.800 -0.219 0.000 2.124 438 Q HA -0.160 4.159 4.340 -0.034 0.000 0.202 438 Q C 2.385 178.043 176.000 -0.570 0.000 0.977 438 Q CA 1.628 57.150 55.803 -0.468 0.000 0.850 438 Q CB -0.388 28.256 28.738 -0.157 0.000 0.901 438 Q HN 0.694 nan 8.270 nan 0.000 0.429 439 A N 0.600 123.175 122.820 -0.408 0.000 1.972 439 A HA -0.159 4.141 4.320 -0.034 0.000 0.219 439 A C 1.993 179.427 177.584 -0.250 0.000 1.169 439 A CA 1.105 52.904 52.037 -0.395 0.000 0.635 439 A CB -0.492 17.923 19.000 -0.974 0.000 0.810 439 A HN 0.279 nan 8.150 nan 0.000 0.446 440 L N -1.158 119.919 121.223 -0.244 0.000 2.095 440 L HA -0.121 4.199 4.340 -0.034 0.000 0.204 440 L C 2.562 179.323 176.870 -0.181 0.000 1.080 440 L CA 1.520 56.270 54.840 -0.150 0.000 0.759 440 L CB -0.435 41.576 42.059 -0.081 0.000 0.914 440 L HN 0.545 nan 8.230 nan 0.000 0.439 441 E N 0.107 120.114 120.200 -0.321 0.000 2.038 441 E HA -0.249 4.080 4.350 -0.034 0.000 0.195 441 E C 1.678 178.175 176.600 -0.172 0.000 1.000 441 E CA 1.807 57.992 56.400 -0.358 0.000 0.803 441 E CB -0.025 29.311 29.700 -0.607 0.000 0.750 441 E HN 0.521 nan 8.360 nan 0.000 0.448 442 Y N -0.375 119.999 120.300 0.122 0.000 2.466 442 Y HA 0.317 4.847 4.550 -0.033 0.000 0.272 442 Y C 0.867 177.086 175.900 0.531 0.000 1.169 442 Y CA 0.217 58.509 58.100 0.319 0.000 1.285 442 Y CB 0.088 38.624 38.460 0.126 0.000 1.078 442 Y HN -0.153 nan 8.280 nan 0.000 0.523 443 S N 0.693 116.585 115.700 0.321 0.000 3.711 443 S HA -0.212 4.237 4.470 -0.034 0.000 0.374 443 S C 0.394 175.182 174.600 0.314 0.000 0.969 443 S CA 0.487 58.833 58.200 0.242 0.000 1.198 443 S CB -1.321 61.975 63.200 0.161 0.000 0.903 443 S HN 0.523 nan 8.310 nan 0.000 0.493 444 S N 1.135 117.009 115.700 0.289 0.000 2.465 444 S HA 0.285 4.735 4.470 -0.034 0.000 0.280 444 S C 1.381 176.032 174.600 0.084 0.000 1.232 444 S CA -0.413 57.917 58.200 0.217 0.000 1.066 444 S CB 0.319 63.695 63.200 0.293 0.000 0.929 444 S HN 0.591 nan 8.310 nan 0.000 0.494 445 N N 4.068 122.736 118.700 -0.053 0.000 2.207 445 N HA -0.073 4.647 4.740 -0.034 0.000 0.182 445 N C 1.693 177.204 175.510 0.002 0.000 1.020 445 N CA 1.308 54.281 53.050 -0.128 0.000 0.858 445 N CB -1.012 37.154 38.487 -0.535 0.000 0.991 445 N HN 0.615 nan 8.380 nan 0.000 0.427 446 T N 1.083 115.620 114.554 -0.028 0.000 2.597 446 T HA -0.227 4.102 4.350 -0.034 0.000 0.267 446 T C 1.748 176.485 174.700 0.062 0.000 1.053 446 T CA 1.351 63.444 62.100 -0.012 0.000 1.165 446 T CB -0.762 68.086 68.868 -0.033 0.000 0.863 446 T HN 0.301 nan 8.240 nan 0.000 0.427 447 Y N 1.208 121.496 120.300 -0.019 0.000 2.151 447 Y HA -0.236 4.293 4.550 -0.034 0.000 0.284 447 Y C 2.357 178.259 175.900 0.004 0.000 1.166 447 Y CA 1.301 59.394 58.100 -0.011 0.000 1.163 447 Y CB -0.217 38.240 38.460 -0.005 0.000 0.974 447 Y HN 0.080 nan 8.280 nan 0.000 0.511 448 M N -1.215 118.557 119.600 0.286 0.000 2.374 448 M HA -0.136 4.323 4.480 -0.034 0.000 0.264 448 M C 1.869 178.256 176.300 0.146 0.000 1.067 448 M CA 0.946 56.377 55.300 0.219 0.000 1.103 448 M CB -1.052 31.691 32.600 0.239 0.000 1.402 448 M HN 0.213 nan 8.290 nan 0.000 0.444 449 V N -0.797 119.200 119.914 0.137 0.000 2.949 449 V HA -0.082 4.017 4.120 -0.034 0.000 0.245 449 V C 2.219 178.355 176.094 0.069 0.000 1.086 449 V CA 0.722 63.090 62.300 0.113 0.000 1.097 449 V CB -0.382 31.533 31.823 0.153 0.000 0.762 449 V HN 0.429 nan 8.190 nan 0.000 0.470 450 Q N 0.056 119.859 119.800 0.005 0.000 2.170 450 Q HA -0.164 4.156 4.340 -0.034 0.000 0.203 450 Q C 2.254 178.244 176.000 -0.016 0.000 0.976 450 Q CA 1.995 57.781 55.803 -0.028 0.000 0.858 450 Q CB -0.228 28.441 28.738 -0.115 0.000 0.907 450 Q HN 0.603 nan 8.270 nan 0.000 0.433 451 T N 0.624 115.155 114.554 -0.038 0.000 2.904 451 T HA -0.048 4.282 4.350 -0.034 0.000 0.267 451 T C 1.886 176.605 174.700 0.031 0.000 1.059 451 T CA 0.904 62.986 62.100 -0.031 0.000 1.137 451 T CB -0.153 68.692 68.868 -0.040 0.000 0.879 451 T HN 0.350 nan 8.240 nan 0.000 0.467 452 A N 2.020 124.865 122.820 0.043 0.000 1.865 452 A HA -0.056 4.244 4.320 -0.034 0.000 0.217 452 A C 2.220 179.974 177.584 0.282 0.000 1.191 452 A CA 1.443 53.530 52.037 0.083 0.000 0.623 452 A CB -1.051 17.887 19.000 -0.102 0.000 0.826 452 A HN 0.389 nan 8.150 nan 0.000 0.444 453 L N 0.381 121.762 121.223 0.262 0.000 2.034 453 L HA -0.206 4.114 4.340 -0.034 0.000 0.217 453 L C 2.375 179.352 176.870 0.177 0.000 1.077 453 L CA 2.652 57.651 54.840 0.264 0.000 0.769 453 L CB -1.284 40.922 42.059 0.245 0.000 0.890 453 L HN 0.358 nan 8.230 nan 0.000 0.435 454 G N -0.618 108.254 108.800 0.120 0.000 2.491 454 G HA2 -0.291 3.649 3.960 -0.034 0.000 0.218 454 G HA3 -0.291 3.649 3.960 -0.034 0.000 0.218 454 G C 1.626 176.575 174.900 0.083 0.000 1.180 454 G CA 1.185 46.331 45.100 0.077 0.000 0.774 454 G HN 0.484 nan 8.290 nan 0.000 0.562 455 L N -0.387 120.899 121.223 0.106 0.000 2.079 455 L HA -0.049 4.271 4.340 -0.034 0.000 0.210 455 L C 2.880 179.797 176.870 0.078 0.000 1.081 455 L CA 1.272 56.173 54.840 0.102 0.000 0.752 455 L CB -0.287 41.864 42.059 0.153 0.000 0.896 455 L HN 0.269 nan 8.230 nan 0.000 0.433 456 M N -0.701 118.954 119.600 0.092 0.000 2.557 456 M HA -0.005 4.455 4.480 -0.034 0.000 0.259 456 M C 1.217 177.525 176.300 0.014 0.000 1.086 456 M CA 1.142 56.447 55.300 0.008 0.000 1.096 456 M CB 0.098 32.694 32.600 -0.006 0.000 1.424 456 M HN 0.390 nan 8.290 nan 0.000 0.488 457 G N 0.593 109.419 108.800 0.044 0.000 2.159 457 G HA2 -0.237 3.703 3.960 -0.034 0.000 0.227 457 G HA3 -0.237 3.703 3.960 -0.034 0.000 0.227 457 G C -0.085 174.840 174.900 0.042 0.000 0.986 457 G CA 0.145 45.266 45.100 0.034 0.000 0.651 457 G HN 0.506 nan 8.290 nan 0.000 0.523 458 Q N -0.175 119.665 119.800 0.066 0.000 2.359 458 Q HA 0.744 5.064 4.340 -0.034 0.000 0.275 458 Q C -0.496 175.565 176.000 0.102 0.000 1.082 458 Q CA -0.331 55.520 55.803 0.080 0.000 0.849 458 Q CB 1.701 30.498 28.738 0.099 0.000 1.377 458 Q HN 0.253 nan 8.270 nan 0.000 0.452 459 T N 0.553 115.167 114.554 0.101 0.000 2.876 459 T HA 0.232 4.562 4.350 -0.034 0.000 0.289 459 T C -1.326 173.464 174.700 0.149 0.000 1.014 459 T CA -0.557 61.611 62.100 0.114 0.000 0.986 459 T CB 0.580 69.489 68.868 0.068 0.000 1.021 459 T HN 0.444 nan 8.240 nan 0.000 0.458 460 Y N 3.574 123.898 120.300 0.040 0.000 2.544 460 Y HA 0.249 4.779 4.550 -0.033 0.000 0.330 460 Y C 0.112 176.013 175.900 0.003 0.000 1.136 460 Y CA -0.067 58.048 58.100 0.026 0.000 1.417 460 Y CB 0.348 38.803 38.460 -0.008 0.000 1.229 460 Y HN 0.431 nan 8.280 nan 0.000 0.532 461 Q N 7.428 126.878 119.800 -0.584 0.000 2.394 461 Q HA 0.392 4.712 4.340 -0.034 0.000 0.273 461 Q C -2.704 172.662 176.000 -1.057 0.000 1.089 461 Q CA -2.541 52.858 55.803 -0.672 0.000 0.812 461 Q CB 1.506 30.086 28.738 -0.264 0.000 1.353 461 Q HN 0.521 nan 8.270 nan 0.000 0.438 462 P HA -0.023 nan 4.420 nan 0.000 0.262 462 P C -0.279 176.878 177.300 -0.238 0.000 1.182 462 P CA 0.501 63.320 63.100 -0.469 0.000 0.761 462 P CB 0.287 31.853 31.700 -0.224 0.000 0.795 463 N N -0.670 117.961 118.700 -0.114 0.000 2.882 463 N HA -0.154 4.566 4.740 -0.034 0.000 0.249 463 N C -0.003 175.467 175.510 -0.066 0.000 1.079 463 N CA 0.732 53.738 53.050 -0.073 0.000 0.800 463 N CB -2.040 36.398 38.487 -0.081 0.000 1.124 463 N HN 0.547 nan 8.380 nan 0.000 0.557 464 M N -1.428 118.186 119.600 0.022 0.000 2.219 464 M HA 0.394 4.853 4.480 -0.034 0.000 0.353 464 M C -0.076 176.332 176.300 0.181 0.000 1.304 464 M CA -0.020 55.348 55.300 0.113 0.000 1.115 464 M CB 0.126 32.820 32.600 0.156 0.000 1.664 464 M HN -0.085 nan 8.290 nan 0.000 0.459 465 F N 2.522 122.558 119.950 0.143 0.000 2.484 465 F HA 0.344 4.851 4.527 -0.034 0.000 0.360 465 F C 0.064 175.905 175.800 0.068 0.000 1.101 465 F CA -0.239 57.824 58.000 0.104 0.000 1.251 465 F CB 0.838 39.866 39.000 0.046 0.000 1.132 465 F HN 0.354 nan 8.300 nan 0.000 0.570 466 V N 2.954 122.970 119.914 0.169 0.000 2.384 466 V HA 0.498 4.598 4.120 -0.034 0.000 0.287 466 V C 0.460 176.466 176.094 -0.147 0.000 1.020 466 V CA -1.095 61.177 62.300 -0.046 0.000 0.850 466 V CB 1.093 32.736 31.823 -0.300 0.000 0.987 466 V HN 0.906 nan 8.190 nan 0.000 0.436 467 G N 2.195 110.932 108.800 -0.104 0.000 2.358 467 G HA2 0.376 4.316 3.960 -0.034 0.000 0.273 467 G HA3 0.376 4.316 3.960 -0.034 0.000 0.273 467 G C 0.884 175.670 174.900 -0.191 0.000 1.215 467 G CA 0.385 45.413 45.100 -0.120 0.000 0.910 467 G HN 0.915 nan 8.290 nan 0.000 0.467 468 T N -0.515 113.914 114.554 -0.208 0.000 3.129 468 T HA -0.021 4.309 4.350 -0.034 0.000 0.251 468 T C 2.342 176.942 174.700 -0.167 0.000 1.117 468 T CA 0.625 62.575 62.100 -0.248 0.000 1.034 468 T CB -0.048 68.676 68.868 -0.241 0.000 0.968 468 T HN 0.514 nan 8.240 nan 0.000 0.526 469 S N 3.172 118.797 115.700 -0.125 0.000 2.392 469 S HA -0.212 4.238 4.470 -0.034 0.000 0.232 469 S C 1.552 176.099 174.600 -0.089 0.000 1.041 469 S CA 1.330 59.475 58.200 -0.092 0.000 1.026 469 S CB -0.680 62.478 63.200 -0.071 0.000 0.845 469 S HN 0.545 nan 8.310 nan 0.000 0.465 470 N N 1.063 119.700 118.700 -0.105 0.000 2.314 470 N HA 0.277 4.997 4.740 -0.034 0.000 0.200 470 N C 1.012 176.441 175.510 -0.134 0.000 1.135 470 N CA 0.003 52.996 53.050 -0.096 0.000 0.835 470 N CB -0.039 38.399 38.487 -0.081 0.000 0.989 470 N HN 0.327 nan 8.380 nan 0.000 0.478 471 L N 1.218 122.348 121.223 -0.156 0.000 1.993 471 L HA -0.009 4.311 4.340 -0.034 0.000 0.206 471 L C 1.824 178.653 176.870 -0.067 0.000 1.074 471 L CA 1.806 56.534 54.840 -0.188 0.000 0.746 471 L CB -0.560 41.410 42.059 -0.147 0.000 0.896 471 L HN 0.074 nan 8.230 nan 0.000 0.435 472 E N -0.855 119.348 120.200 0.004 0.000 2.114 472 E HA -0.292 4.038 4.350 -0.034 0.000 0.199 472 E C 2.242 178.883 176.600 0.069 0.000 1.008 472 E CA 1.615 58.075 56.400 0.099 0.000 0.810 472 E CB -0.279 29.443 29.700 0.037 0.000 0.739 472 E HN 0.582 nan 8.360 nan 0.000 0.456 473 S N -0.019 115.685 115.700 0.006 0.000 2.368 473 S HA -0.102 4.348 4.470 -0.034 0.000 0.224 473 S C 2.034 176.632 174.600 -0.002 0.000 1.029 473 S CA 1.045 59.247 58.200 0.003 0.000 0.988 473 S CB -0.046 63.147 63.200 -0.012 0.000 0.838 473 S HN 0.331 nan 8.310 nan 0.000 0.462 474 A N 1.522 124.304 122.820 -0.062 0.000 1.855 474 A HA -0.013 4.286 4.320 -0.034 0.000 0.215 474 A C 2.220 179.849 177.584 0.075 0.000 1.191 474 A CA 1.929 53.923 52.037 -0.071 0.000 0.613 474 A CB -0.865 17.931 19.000 -0.341 0.000 0.829 474 A HN 0.633 nan 8.150 nan 0.000 0.442 475 M N 1.165 120.781 119.600 0.028 0.000 2.149 475 M HA -0.198 4.261 4.480 -0.034 0.000 0.261 475 M C 1.919 178.261 176.300 0.069 0.000 1.064 475 M CA 2.482 57.877 55.300 0.158 0.000 1.102 475 M CB -0.658 31.868 32.600 -0.122 0.000 1.369 475 M HN 0.636 nan 8.290 nan 0.000 0.408 476 E N -0.425 119.807 120.200 0.054 0.000 2.106 476 E HA -0.224 4.106 4.350 -0.034 0.000 0.192 476 E C 1.803 178.430 176.600 0.046 0.000 0.984 476 E CA 1.269 57.699 56.400 0.049 0.000 0.806 476 E CB -0.604 29.129 29.700 0.055 0.000 0.750 476 E HN 0.571 nan 8.360 nan 0.000 0.458 477 K N 0.548 120.977 120.400 0.048 0.000 2.002 477 K HA -0.130 4.170 4.320 -0.034 0.000 0.209 477 K C 2.351 178.952 176.600 0.002 0.000 1.048 477 K CA 1.288 57.595 56.287 0.033 0.000 0.930 477 K CB -0.352 32.172 32.500 0.041 0.000 0.714 477 K HN 0.099 nan 8.250 nan 0.000 0.438 478 L N 1.768 122.988 121.223 -0.006 0.000 1.970 478 L HA -0.199 4.121 4.340 -0.034 0.000 0.212 478 L C 2.304 179.059 176.870 -0.192 0.000 1.071 478 L CA 1.701 56.446 54.840 -0.158 0.000 0.751 478 L CB -0.366 41.599 42.059 -0.157 0.000 0.889 478 L HN 0.034 nan 8.230 nan 0.000 0.432 479 R N -0.980 119.508 120.500 -0.019 0.000 2.139 479 R HA -0.178 4.142 4.340 -0.034 0.000 0.243 479 R C 2.537 178.914 176.300 0.129 0.000 1.145 479 R CA 1.395 57.576 56.100 0.135 0.000 0.976 479 R CB -0.523 29.856 30.300 0.131 0.000 0.866 479 R HN 0.505 nan 8.270 nan 0.000 0.449 480 S N -0.597 115.137 115.700 0.057 0.000 2.383 480 S HA -0.102 4.348 4.470 -0.034 0.000 0.227 480 S C 1.680 176.318 174.600 0.062 0.000 1.026 480 S CA 1.603 59.839 58.200 0.059 0.000 0.981 480 S CB -0.011 63.211 63.200 0.036 0.000 0.818 480 S HN 0.352 nan 8.310 nan 0.000 0.472 481 T N 1.709 116.278 114.554 0.026 0.000 2.737 481 T HA -0.005 4.325 4.350 -0.034 0.000 0.265 481 T C 1.351 176.183 174.700 0.219 0.000 1.038 481 T CA 1.141 63.275 62.100 0.057 0.000 1.144 481 T CB -0.483 68.395 68.868 0.016 0.000 0.866 481 T HN 0.340 nan 8.240 nan 0.000 0.434 482 F N 1.914 121.971 119.950 0.179 0.000 2.115 482 F HA -0.069 4.437 4.527 -0.034 0.000 0.300 482 F C 2.695 178.574 175.800 0.130 0.000 1.092 482 F CA 0.951 59.051 58.000 0.168 0.000 1.245 482 F CB -1.369 37.690 39.000 0.099 0.000 0.995 482 F HN 0.259 nan 8.300 nan 0.000 0.481 483 G N -0.830 108.144 108.800 0.290 0.000 2.448 483 G HA2 -0.199 3.741 3.960 -0.034 0.000 0.219 483 G HA3 -0.199 3.741 3.960 -0.034 0.000 0.219 483 G C 1.551 176.514 174.900 0.105 0.000 1.127 483 G CA 0.603 45.799 45.100 0.160 0.000 0.766 483 G HN 0.395 nan 8.290 nan 0.000 0.552 484 E N -0.532 119.710 120.200 0.070 0.000 2.150 484 E HA -0.096 4.234 4.350 -0.034 0.000 0.193 484 E C 1.742 178.284 176.600 -0.098 0.000 0.985 484 E CA 0.660 57.023 56.400 -0.062 0.000 0.814 484 E CB -0.136 29.455 29.700 -0.181 0.000 0.752 484 E HN 0.614 nan 8.360 nan 0.000 0.466 485 Y N -0.491 119.898 120.300 0.148 0.000 2.544 485 Y HA 0.100 4.629 4.550 -0.034 0.000 0.286 485 Y C 1.825 177.805 175.900 0.134 0.000 1.141 485 Y CA 0.824 59.039 58.100 0.193 0.000 1.299 485 Y CB 0.841 39.529 38.460 0.381 0.000 1.030 485 Y HN 0.160 nan 8.280 nan 0.000 0.543 486 G N -0.410 108.504 108.800 0.189 0.000 2.211 486 G HA2 -0.226 3.714 3.960 -0.034 0.000 0.201 486 G HA3 -0.226 3.714 3.960 -0.034 0.000 0.201 486 G C -0.017 174.871 174.900 -0.020 0.000 0.997 486 G CA -0.300 44.854 45.100 0.090 0.000 0.652 486 G HN 0.135 nan 8.290 nan 0.000 0.500 487 L N 1.296 122.455 121.223 -0.105 0.000 2.385 487 L HA 0.470 4.790 4.340 -0.034 0.000 0.281 487 L C 1.712 178.440 176.870 -0.236 0.000 1.106 487 L CA 1.090 55.599 54.840 -0.552 0.000 0.856 487 L CB 0.522 42.013 42.059 -0.946 0.000 1.186 487 L HN 0.988 nan 8.230 nan 0.000 0.453 488 G N 1.694 110.462 108.800 -0.054 0.000 2.195 488 G HA2 -0.266 3.673 3.960 -0.034 0.000 0.246 488 G HA3 -0.266 3.673 3.960 -0.034 0.000 0.246 488 G C 0.345 175.312 174.900 0.112 0.000 0.984 488 G CA 0.256 45.485 45.100 0.215 0.000 0.633 488 G HN 0.562 nan 8.290 nan 0.000 0.525 489 T N 0.121 114.715 114.554 0.066 0.000 2.950 489 T HA 0.742 5.072 4.350 -0.034 0.000 0.288 489 T C 0.715 175.441 174.700 0.044 0.000 1.035 489 T CA 0.773 62.907 62.100 0.057 0.000 1.028 489 T CB 1.120 70.022 68.868 0.057 0.000 1.109 489 T HN 1.535 nan 8.240 nan 0.000 0.514 490 A N 1.633 124.475 122.820 0.037 0.000 2.498 490 A HA 0.364 4.664 4.320 -0.034 0.000 0.239 490 A C 1.675 179.279 177.584 0.033 0.000 1.068 490 A CA 0.429 52.485 52.037 0.032 0.000 0.766 490 A CB -0.162 18.852 19.000 0.024 0.000 1.003 490 A HN 1.035 nan 8.150 nan 0.000 0.497 491 T N -0.230 114.345 114.554 0.035 0.000 2.857 491 T HA 0.295 4.625 4.350 -0.034 0.000 0.266 491 T C 1.423 176.143 174.700 0.034 0.000 1.048 491 T CA 1.170 63.293 62.100 0.039 0.000 1.139 491 T CB -0.472 68.422 68.868 0.042 0.000 0.874 491 T HN 2.473 nan 8.240 nan 0.000 0.455 492 G N 1.441 110.259 108.800 0.029 0.000 2.149 492 G HA2 -0.206 3.734 3.960 -0.034 0.000 0.235 492 G HA3 -0.206 3.734 3.960 -0.034 0.000 0.235 492 G C -0.009 174.910 174.900 0.031 0.000 1.018 492 G CA 0.088 45.203 45.100 0.025 0.000 0.728 492 G HN 0.838 nan 8.290 nan 0.000 0.508 493 I N 0.578 121.169 120.570 0.036 0.000 2.938 493 I HA 0.294 4.444 4.170 -0.034 0.000 0.285 493 I C 0.832 176.973 176.117 0.039 0.000 1.182 493 I CA -0.033 61.294 61.300 0.046 0.000 1.388 493 I CB 0.552 38.582 38.000 0.051 0.000 1.390 493 I HN 0.271 nan 8.210 nan 0.000 0.600 494 D N 7.406 127.841 120.400 0.058 0.000 2.934 494 D HA 0.229 4.849 4.640 -0.034 0.000 0.237 494 D C -0.671 175.637 176.300 0.013 0.000 1.158 494 D CA 0.135 54.155 54.000 0.034 0.000 0.971 494 D CB -0.353 40.530 40.800 0.139 0.000 1.123 494 D HN 0.278 nan 8.370 nan 0.000 0.467 495 L N 0.055 121.287 121.223 0.015 0.000 2.393 495 L HA 0.338 4.658 4.340 -0.034 0.000 0.260 495 L C -1.448 175.427 176.870 0.009 0.000 1.002 495 L CA -2.228 52.636 54.840 0.041 0.000 0.818 495 L CB 2.745 44.876 42.059 0.120 0.000 1.369 495 L HN -0.246 nan 8.230 nan 0.000 0.412 496 P HA -0.166 nan 4.420 nan 0.000 0.216 496 P C -0.228 177.056 177.300 -0.028 0.000 1.154 496 P CA 1.455 64.529 63.100 -0.043 0.000 0.865 496 P CB 0.247 31.895 31.700 -0.087 0.000 0.789 497 D N -0.655 119.745 120.400 -0.000 0.000 2.470 497 D HA 0.111 4.731 4.640 -0.034 0.000 0.233 497 D C -0.937 175.388 176.300 0.040 0.000 1.372 497 D CA -0.583 53.421 54.000 0.007 0.000 0.994 497 D CB 0.902 41.689 40.800 -0.021 0.000 1.377 497 D HN 0.115 nan 8.370 nan 0.000 0.586 498 E N 1.868 122.089 120.200 0.034 0.000 2.227 498 E HA 0.427 4.756 4.350 -0.034 0.000 0.282 498 E C -0.324 176.289 176.600 0.022 0.000 1.015 498 E CA -0.819 55.603 56.400 0.036 0.000 0.823 498 E CB 1.365 31.087 29.700 0.036 0.000 1.081 498 E HN 0.178 nan 8.360 nan 0.000 0.396 499 S N 2.365 118.074 115.700 0.015 0.000 2.560 499 S HA 0.016 4.466 4.470 -0.034 0.000 0.284 499 S C 0.510 175.123 174.600 0.022 0.000 1.327 499 S CA 0.065 58.270 58.200 0.007 0.000 1.055 499 S CB 0.360 63.551 63.200 -0.015 0.000 0.868 499 S HN 0.633 nan 8.310 nan 0.000 0.506 500 T N 1.833 116.404 114.554 0.028 0.000 3.258 500 T HA 0.595 4.925 4.350 -0.034 0.000 0.259 500 T C 0.868 175.611 174.700 0.072 0.000 0.963 500 T CA -0.031 62.097 62.100 0.048 0.000 0.919 500 T CB -0.774 68.116 68.868 0.038 0.000 1.110 500 T HN 1.469 nan 8.240 nan 0.000 0.550 501 G N 1.392 110.237 108.800 0.075 0.000 2.685 501 G HA2 -0.036 3.904 3.960 -0.034 0.000 0.387 501 G HA3 -0.036 3.904 3.960 -0.034 0.000 0.387 501 G C -0.847 174.089 174.900 0.060 0.000 1.324 501 G CA -0.679 44.474 45.100 0.088 0.000 0.878 501 G HN 0.501 nan 8.290 nan 0.000 0.527 502 F N 0.951 120.785 119.950 -0.194 0.000 2.449 502 F HA 0.577 5.082 4.527 -0.035 0.000 0.329 502 F C 0.374 176.030 175.800 -0.240 0.000 1.245 502 F CA -0.877 56.992 58.000 -0.217 0.000 1.193 502 F CB 0.979 39.813 39.000 -0.276 0.000 1.425 502 F HN 0.374 nan 8.300 nan 0.000 0.544 503 V N 5.475 125.172 119.914 -0.361 0.000 2.284 503 V HA 0.276 4.376 4.120 -0.034 0.000 0.260 503 V C -1.947 173.915 176.094 -0.387 0.000 1.084 503 V CA -1.563 60.550 62.300 -0.311 0.000 0.894 503 V CB -0.179 31.590 31.823 -0.089 0.000 1.119 503 V HN 0.411 nan 8.190 nan 0.000 0.484 504 P HA 0.178 nan 4.420 nan 0.000 0.269 504 P C 0.600 177.909 177.300 0.014 0.000 1.209 504 P CA -0.236 62.662 63.100 -0.336 0.000 0.776 504 P CB 0.743 32.288 31.700 -0.258 0.000 0.876 505 K N 0.704 121.137 120.400 0.054 0.000 2.334 505 K HA 0.075 4.375 4.320 -0.034 0.000 0.195 505 K C 0.354 177.093 176.600 0.232 0.000 1.045 505 K CA 0.509 56.904 56.287 0.181 0.000 1.004 505 K CB 0.142 32.688 32.500 0.077 0.000 0.837 505 K HN 0.391 nan 8.250 nan 0.000 0.510 506 E N 1.317 121.596 120.200 0.132 0.000 2.052 506 E HA 0.136 4.466 4.350 -0.034 0.000 0.283 506 E C -1.361 175.342 176.600 0.172 0.000 1.071 506 E CA -0.481 55.950 56.400 0.052 0.000 0.851 506 E CB 0.098 29.819 29.700 0.036 0.000 1.066 506 E HN 0.157 nan 8.360 nan 0.000 0.396 507 Y N 1.253 121.599 120.300 0.078 0.000 2.544 507 Y HA 0.611 5.140 4.550 -0.035 0.000 0.342 507 Y C -0.414 175.496 175.900 0.017 0.000 1.062 507 Y CA -1.252 56.901 58.100 0.088 0.000 1.023 507 Y CB 0.655 39.169 38.460 0.090 0.000 1.308 507 Y HN 0.299 nan 8.280 nan 0.000 0.457 508 S N 2.034 117.805 115.700 0.119 0.000 2.690 508 S HA 0.399 4.848 4.470 -0.034 0.000 0.285 508 S C 0.307 175.002 174.600 0.158 0.000 1.135 508 S CA -0.312 57.929 58.200 0.068 0.000 1.020 508 S CB 0.933 64.162 63.200 0.049 0.000 1.159 508 S HN 0.829 nan 8.310 nan 0.000 0.534 509 F N 1.372 121.308 119.950 -0.024 0.000 2.149 509 F HA 0.246 4.753 4.527 -0.034 0.000 0.294 509 F C 2.487 178.254 175.800 -0.054 0.000 1.095 509 F CA 1.017 59.001 58.000 -0.027 0.000 1.276 509 F CB -1.321 37.630 39.000 -0.082 0.000 1.023 509 F HN 0.700 nan 8.300 nan 0.000 0.480 510 A N 1.257 123.876 122.820 -0.335 0.000 1.884 510 A HA -0.325 3.975 4.320 -0.034 0.000 0.219 510 A C 2.132 179.483 177.584 -0.389 0.000 1.197 510 A CA 2.282 54.074 52.037 -0.407 0.000 0.637 510 A CB -1.259 17.632 19.000 -0.182 0.000 0.827 510 A HN 0.551 nan 8.150 nan 0.000 0.450 511 N N -1.391 117.103 118.700 -0.344 0.000 2.060 511 N HA -0.232 4.488 4.740 -0.034 0.000 0.195 511 N C 1.567 176.647 175.510 -0.716 0.000 1.028 511 N CA 1.938 54.549 53.050 -0.732 0.000 0.861 511 N CB -0.791 37.209 38.487 -0.812 0.000 1.029 511 N HN 0.713 nan 8.380 nan 0.000 0.428 512 Y N 1.698 121.722 120.300 -0.460 0.000 2.070 512 Y HA -0.147 4.382 4.550 -0.035 0.000 0.280 512 Y C 2.210 177.906 175.900 -0.339 0.000 1.148 512 Y CA 1.477 59.384 58.100 -0.321 0.000 1.125 512 Y CB -0.390 38.038 38.460 -0.052 0.000 0.975 512 Y HN -0.050 nan 8.280 nan 0.000 0.492 513 I N 0.348 120.654 120.570 -0.439 0.000 2.315 513 I HA -0.241 3.908 4.170 -0.034 0.000 0.248 513 I C 2.508 178.278 176.117 -0.579 0.000 1.117 513 I CA 2.047 63.057 61.300 -0.484 0.000 1.404 513 I CB -1.889 35.873 38.000 -0.396 0.000 1.071 513 I HN 0.485 nan 8.210 nan 0.000 0.419 514 T N -1.429 112.765 114.554 -0.601 0.000 2.951 514 T HA -0.129 4.201 4.350 -0.034 0.000 0.268 514 T C 1.692 175.958 174.700 -0.723 0.000 1.073 514 T CA 1.232 62.832 62.100 -0.833 0.000 1.134 514 T CB -0.468 68.152 68.868 -0.414 0.000 0.884 514 T HN 0.102 nan 8.240 nan 0.000 0.479 515 N N 1.877 120.311 118.700 -0.445 0.000 2.381 515 N HA 0.129 4.849 4.740 -0.034 0.000 0.182 515 N C 1.860 177.301 175.510 -0.115 0.000 1.025 515 N CA 1.032 53.981 53.050 -0.169 0.000 0.888 515 N CB -0.587 37.842 38.487 -0.098 0.000 0.965 515 N HN 0.627 nan 8.380 nan 0.000 0.438 516 A N -0.444 122.178 122.820 -0.329 0.000 2.119 516 A HA 0.021 4.320 4.320 -0.034 0.000 0.217 516 A C 0.962 178.576 177.584 0.050 0.000 1.153 516 A CA 0.589 52.532 52.037 -0.157 0.000 0.692 516 A CB -0.648 18.201 19.000 -0.252 0.000 0.799 516 A HN 0.450 nan 8.150 nan 0.000 0.458 517 F N -3.655 116.328 119.950 0.054 0.000 2.764 517 F HA 0.555 5.062 4.527 -0.033 0.000 0.310 517 F C 0.862 176.703 175.800 0.068 0.000 1.124 517 F CA -0.322 57.721 58.000 0.071 0.000 1.252 517 F CB -0.231 38.798 39.000 0.049 0.000 1.010 517 F HN 0.187 nan 8.300 nan 0.000 0.518 518 G N 1.562 110.388 108.800 0.043 0.000 2.291 518 G HA2 -0.228 3.711 3.960 -0.034 0.000 0.271 518 G HA3 -0.228 3.711 3.960 -0.034 0.000 0.271 518 G C 0.176 175.104 174.900 0.047 0.000 1.099 518 G CA 0.101 45.223 45.100 0.037 0.000 0.919 518 G HN 0.486 nan 8.290 nan 0.000 0.496 519 Q N -1.715 118.077 119.800 -0.013 0.000 2.110 519 Q HA 0.403 4.722 4.340 -0.034 0.000 0.232 519 Q C 0.588 176.635 176.000 0.078 0.000 0.810 519 Q CA -0.217 55.613 55.803 0.045 0.000 1.083 519 Q CB 0.454 29.242 28.738 0.084 0.000 1.193 519 Q HN 0.622 nan 8.270 nan 0.000 0.471 520 F N 0.170 120.031 119.950 -0.149 0.000 1.901 520 F HA 0.263 4.771 4.527 -0.033 0.000 0.224 520 F C -0.202 175.509 175.800 -0.148 0.000 1.236 520 F CA -0.152 57.772 58.000 -0.127 0.000 1.304 520 F CB 0.224 39.140 39.000 -0.139 0.000 1.866 520 F HN -0.177 nan 8.300 nan 0.000 0.262 521 D N 2.355 122.597 120.400 -0.262 0.000 2.506 521 D HA 0.021 4.641 4.640 -0.034 0.000 0.234 521 D C -0.616 175.244 176.300 -0.734 0.000 1.143 521 D CA 0.586 54.269 54.000 -0.529 0.000 0.871 521 D CB 0.144 40.672 40.800 -0.453 0.000 1.190 521 D HN 0.302 nan 8.370 nan 0.000 0.459 522 N N 1.366 119.717 118.700 -0.582 0.000 2.430 522 N HA 0.249 4.969 4.740 -0.034 0.000 0.292 522 N C -1.046 174.173 175.510 -0.487 0.000 1.051 522 N CA -0.469 52.292 53.050 -0.482 0.000 0.917 522 N CB 1.050 39.389 38.487 -0.248 0.000 1.164 522 N HN 0.236 nan 8.380 nan 0.000 0.484 523 Y N -0.217 120.048 120.300 -0.059 0.000 2.536 523 Y HA 0.233 4.761 4.550 -0.036 0.000 0.347 523 Y C 0.797 176.691 175.900 -0.010 0.000 1.000 523 Y CA -1.106 56.968 58.100 -0.043 0.000 1.051 523 Y CB 1.396 39.823 38.460 -0.056 0.000 1.259 523 Y HN 0.384 nan 8.280 nan 0.000 0.468 524 T N -0.867 113.798 114.554 0.184 0.000 2.910 524 T HA 0.259 4.589 4.350 -0.034 0.000 0.293 524 T C -2.167 172.635 174.700 0.170 0.000 1.015 524 T CA -1.933 60.235 62.100 0.113 0.000 1.094 524 T CB 1.603 70.502 68.868 0.051 0.000 0.968 524 T HN 0.299 nan 8.240 nan 0.000 0.521 525 P HA -0.127 nan 4.420 nan 0.000 0.216 525 P C 1.607 178.977 177.300 0.116 0.000 1.150 525 P CA 0.838 64.040 63.100 0.170 0.000 0.843 525 P CB -0.075 31.719 31.700 0.156 0.000 0.787 526 M N -0.525 119.128 119.600 0.087 0.000 2.117 526 M HA -0.191 4.269 4.480 -0.034 0.000 0.262 526 M C 2.046 178.389 176.300 0.072 0.000 1.065 526 M CA 1.829 57.172 55.300 0.071 0.000 1.114 526 M CB -1.179 31.454 32.600 0.055 0.000 1.361 526 M HN -0.143 nan 8.290 nan 0.000 0.408 527 Q N -0.178 119.660 119.800 0.064 0.000 2.002 527 Q HA -0.208 4.112 4.340 -0.034 0.000 0.204 527 Q C 2.116 178.147 176.000 0.053 0.000 0.988 527 Q CA 2.291 58.114 55.803 0.034 0.000 0.843 527 Q CB -0.523 28.203 28.738 -0.019 0.000 0.908 527 Q HN 0.533 nan 8.270 nan 0.000 0.420 528 L N 0.244 121.507 121.223 0.066 0.000 1.991 528 L HA -0.351 3.969 4.340 -0.034 0.000 0.221 528 L C 2.531 179.522 176.870 0.200 0.000 1.079 528 L CA 1.490 56.415 54.840 0.141 0.000 0.778 528 L CB -0.820 41.330 42.059 0.151 0.000 0.893 528 L HN 0.303 nan 8.230 nan 0.000 0.437 529 A N -0.513 122.390 122.820 0.139 0.000 1.859 529 A HA -0.372 3.927 4.320 -0.034 0.000 0.217 529 A C 2.243 179.891 177.584 0.107 0.000 1.198 529 A CA 2.331 54.436 52.037 0.112 0.000 0.629 529 A CB -0.911 18.138 19.000 0.081 0.000 0.830 529 A HN 0.569 nan 8.150 nan 0.000 0.446 530 Q N -1.776 118.088 119.800 0.106 0.000 2.133 530 Q HA -0.291 4.029 4.340 -0.034 0.000 0.208 530 Q C 1.924 178.017 176.000 0.154 0.000 0.991 530 Q CA 2.553 58.419 55.803 0.106 0.000 0.867 530 Q CB -0.475 28.322 28.738 0.097 0.000 0.911 530 Q HN 0.823 nan 8.270 nan 0.000 0.417 531 Y N -0.265 120.074 120.300 0.064 0.000 2.181 531 Y HA -0.178 4.352 4.550 -0.034 0.000 0.288 531 Y C 1.992 177.942 175.900 0.083 0.000 1.146 531 Y CA 1.621 59.777 58.100 0.093 0.000 1.164 531 Y CB -0.561 37.901 38.460 0.003 0.000 0.982 531 Y HN 0.071 nan 8.280 nan 0.000 0.515 532 V N 0.839 120.601 119.914 -0.253 0.000 2.719 532 V HA -0.032 4.068 4.120 -0.034 0.000 0.252 532 V C 2.332 178.348 176.094 -0.131 0.000 1.065 532 V CA 1.571 63.692 62.300 -0.299 0.000 1.086 532 V CB -0.964 30.844 31.823 -0.025 0.000 0.700 532 V HN 0.591 nan 8.190 nan 0.000 0.467 533 A N -0.595 122.197 122.820 -0.048 0.000 1.930 533 A HA -0.166 4.134 4.320 -0.034 0.000 0.217 533 A C 2.312 179.852 177.584 -0.073 0.000 1.175 533 A CA 2.418 54.427 52.037 -0.048 0.000 0.627 533 A CB -0.987 18.013 19.000 -0.001 0.000 0.815 533 A HN 0.527 nan 8.150 nan 0.000 0.443 534 T N 0.389 114.932 114.554 -0.019 0.000 2.737 534 T HA -0.069 4.261 4.350 -0.034 0.000 0.265 534 T C 1.795 176.493 174.700 -0.003 0.000 1.038 534 T CA 1.360 63.477 62.100 0.029 0.000 1.144 534 T CB -0.366 68.599 68.868 0.161 0.000 0.866 534 T HN 0.408 nan 8.240 nan 0.000 0.434 535 I N 1.406 121.936 120.570 -0.068 0.000 2.208 535 I HA -0.209 3.940 4.170 -0.034 0.000 0.245 535 I C 2.766 178.763 176.117 -0.201 0.000 1.097 535 I CA 1.317 62.559 61.300 -0.098 0.000 1.363 535 I CB -0.553 37.243 38.000 -0.340 0.000 1.051 535 I HN 0.203 nan 8.210 nan 0.000 0.413 536 A N 0.075 122.613 122.820 -0.470 0.000 2.209 536 A HA -0.147 4.153 4.320 -0.034 0.000 0.212 536 A C 1.822 179.170 177.584 -0.394 0.000 1.158 536 A CA 1.328 52.868 52.037 -0.829 0.000 0.742 536 A CB -0.564 17.891 19.000 -0.908 0.000 0.790 536 A HN 0.426 nan 8.150 nan 0.000 0.472 537 N N -0.210 118.377 118.700 -0.188 0.000 2.236 537 N HA 0.004 4.724 4.740 -0.034 0.000 0.196 537 N C -0.190 175.302 175.510 -0.030 0.000 1.114 537 N CA 0.164 53.158 53.050 -0.093 0.000 0.859 537 N CB -0.015 38.437 38.487 -0.059 0.000 0.982 537 N HN 0.269 nan 8.380 nan 0.000 0.493 538 N N -0.224 118.490 118.700 0.023 0.000 2.924 538 N HA -0.110 4.610 4.740 -0.034 0.000 0.246 538 N C 0.268 175.775 175.510 -0.005 0.000 1.120 538 N CA 0.922 53.992 53.050 0.034 0.000 0.691 538 N CB -1.560 36.938 38.487 0.018 0.000 1.036 538 N HN 0.455 nan 8.380 nan 0.000 0.557 539 G N -1.725 107.085 108.800 0.016 0.000 2.147 539 G HA2 -0.288 3.652 3.960 -0.034 0.000 0.244 539 G HA3 -0.288 3.652 3.960 -0.034 0.000 0.244 539 G C -0.101 174.780 174.900 -0.030 0.000 1.005 539 G CA 0.376 45.475 45.100 -0.001 0.000 0.713 539 G HN 0.557 nan 8.290 nan 0.000 0.515 540 V N 0.735 120.638 119.914 -0.019 0.000 2.326 540 V HA 0.458 4.558 4.120 -0.034 0.000 0.281 540 V C 0.750 176.838 176.094 -0.011 0.000 1.015 540 V CA -0.803 61.484 62.300 -0.021 0.000 0.823 540 V CB 1.419 33.231 31.823 -0.019 0.000 1.009 540 V HN 0.444 nan 8.190 nan 0.000 0.436 541 R N 3.829 124.324 120.500 -0.010 0.000 2.248 541 R HA 0.527 4.846 4.340 -0.034 0.000 0.328 541 R C -0.763 175.544 176.300 0.011 0.000 1.067 541 R CA -0.137 55.969 56.100 0.010 0.000 0.924 541 R CB 1.305 31.612 30.300 0.013 0.000 1.013 541 R HN 0.544 nan 8.270 nan 0.000 0.454 542 V N 4.552 124.475 119.914 0.015 0.000 2.472 542 V HA 0.571 4.671 4.120 -0.034 0.000 0.290 542 V C -0.208 175.901 176.094 0.025 0.000 1.037 542 V CA -0.570 61.740 62.300 0.016 0.000 0.908 542 V CB 1.379 33.209 31.823 0.011 0.000 0.985 542 V HN 0.976 nan 8.190 nan 0.000 0.454 543 A N 9.541 132.377 122.820 0.027 0.000 2.491 543 A HA 0.499 4.799 4.320 -0.034 0.000 0.261 543 A C -2.275 175.332 177.584 0.039 0.000 1.101 543 A CA -0.955 51.102 52.037 0.034 0.000 0.772 543 A CB -0.320 18.700 19.000 0.033 0.000 1.043 543 A HN 0.759 nan 8.150 nan 0.000 0.501 544 P HA 0.273 nan 4.420 nan 0.000 0.276 544 P C -0.716 176.619 177.300 0.058 0.000 1.243 544 P CA 0.054 63.181 63.100 0.045 0.000 0.768 544 P CB 0.611 32.338 31.700 0.045 0.000 0.856 545 R N 2.458 122.996 120.500 0.063 0.000 2.744 545 R HA 0.587 4.907 4.340 -0.034 0.000 0.279 545 R C 0.015 176.367 176.300 0.086 0.000 0.977 545 R CA -0.931 55.222 56.100 0.089 0.000 0.906 545 R CB 1.086 31.447 30.300 0.102 0.000 1.197 545 R HN 0.176 nan 8.270 nan 0.000 0.463 546 I N 1.063 121.702 120.570 0.114 0.000 3.462 546 I HA 0.079 4.229 4.170 -0.034 0.000 0.290 546 I C 0.078 176.247 176.117 0.087 0.000 1.236 546 I CA 0.044 61.403 61.300 0.098 0.000 1.418 546 I CB 0.978 39.045 38.000 0.112 0.000 1.102 546 I HN 0.308 nan 8.210 nan 0.000 0.441 547 V N 2.033 122.002 119.914 0.092 0.000 2.509 547 V HA 0.083 4.183 4.120 -0.034 0.000 0.284 547 V C 1.164 177.270 176.094 0.020 0.000 1.047 547 V CA -0.028 62.273 62.300 0.002 0.000 0.952 547 V CB 1.830 33.529 31.823 -0.207 0.000 0.988 547 V HN 0.219 nan 8.190 nan 0.000 0.469 548 E N 3.110 123.335 120.200 0.041 0.000 2.079 548 E HA 0.185 4.515 4.350 -0.034 0.000 0.191 548 E C 0.585 177.219 176.600 0.056 0.000 0.961 548 E CA 1.029 57.470 56.400 0.067 0.000 0.823 548 E CB 1.062 30.825 29.700 0.104 0.000 0.789 548 E HN 0.808 nan 8.360 nan 0.000 0.459 549 G N 0.438 109.301 108.800 0.105 0.000 2.698 549 G HA2 0.510 4.449 3.960 -0.034 0.000 0.293 549 G HA3 0.510 4.449 3.960 -0.034 0.000 0.293 549 G C -1.436 173.430 174.900 -0.057 0.000 1.437 549 G CA -0.739 44.335 45.100 -0.043 0.000 0.852 549 G HN 0.027 nan 8.290 nan 0.000 0.499 550 I N 0.496 120.925 120.570 -0.235 0.000 2.396 550 I HA 0.491 4.641 4.170 -0.034 0.000 0.292 550 I C -0.784 175.134 176.117 -0.330 0.000 0.999 550 I CA -0.472 60.745 61.300 -0.138 0.000 1.310 550 I CB 1.019 38.958 38.000 -0.101 0.000 1.404 550 I HN 0.395 nan 8.210 nan 0.000 0.496 551 Y N 3.076 123.376 120.300 -0.001 0.000 2.477 551 Y HA 0.641 5.171 4.550 -0.034 0.000 0.347 551 Y C 0.791 176.696 175.900 0.008 0.000 0.981 551 Y CA -0.854 57.246 58.100 -0.000 0.000 1.033 551 Y CB 1.844 40.300 38.460 -0.006 0.000 1.245 551 Y HN 0.682 nan 8.280 nan 0.000 0.455 552 G N 1.158 110.036 108.800 0.129 0.000 2.514 552 G HA2 0.221 4.161 3.960 -0.034 0.000 0.245 552 G HA3 0.221 4.161 3.960 -0.034 0.000 0.245 552 G C -0.805 174.143 174.900 0.080 0.000 1.488 552 G CA -0.684 44.463 45.100 0.077 0.000 1.063 552 G HN 0.699 nan 8.290 nan 0.000 0.557 553 N N -0.758 117.969 118.700 0.046 0.000 2.362 553 N HA 0.436 5.156 4.740 -0.034 0.000 0.299 553 N C -0.629 174.890 175.510 0.015 0.000 1.170 553 N CA -0.786 52.283 53.050 0.032 0.000 0.825 553 N CB 1.640 40.142 38.487 0.024 0.000 1.299 553 N HN 0.696 nan 8.380 nan 0.000 0.502 554 N N -0.708 117.994 118.700 0.003 0.000 2.563 554 N HA 0.315 5.035 4.740 -0.034 0.000 0.288 554 N C -0.341 175.168 175.510 -0.002 0.000 1.246 554 N CA -0.496 52.552 53.050 -0.004 0.000 0.946 554 N CB 0.395 38.871 38.487 -0.018 0.000 1.213 554 N HN 0.298 nan 8.380 nan 0.000 0.578 555 D N -0.607 119.792 120.400 -0.003 0.000 2.182 555 D HA -0.171 4.449 4.640 -0.034 0.000 0.201 555 D C 1.254 177.554 176.300 0.000 0.000 0.986 555 D CA 1.375 55.375 54.000 -0.001 0.000 0.847 555 D CB -0.025 40.775 40.800 -0.001 0.000 0.942 555 D HN 0.708 nan 8.370 nan 0.000 0.467 556 K N -0.561 119.838 120.400 -0.001 0.000 2.155 556 K HA -0.024 4.276 4.320 -0.034 0.000 0.203 556 K C 1.054 177.657 176.600 0.004 0.000 1.052 556 K CA 1.251 57.539 56.287 0.002 0.000 0.948 556 K CB 0.282 32.783 32.500 0.001 0.000 0.728 556 K HN 0.210 nan 8.250 nan 0.000 0.448 557 G N -0.500 108.302 108.800 0.005 0.000 2.164 557 G HA2 -0.126 3.814 3.960 -0.034 0.000 0.154 557 G HA3 -0.126 3.814 3.960 -0.034 0.000 0.154 557 G C 0.146 175.064 174.900 0.030 0.000 1.014 557 G CA -0.244 44.861 45.100 0.009 0.000 0.683 557 G HN 0.603 nan 8.290 nan 0.000 0.500 558 G N -0.757 108.057 108.800 0.023 0.000 2.557 558 G HA2 0.592 4.532 3.960 -0.034 0.000 0.302 558 G HA3 0.592 4.532 3.960 -0.034 0.000 0.302 558 G C 0.460 175.343 174.900 -0.028 0.000 1.311 558 G CA -0.905 44.216 45.100 0.035 0.000 1.030 558 G HN 0.711 nan 8.290 nan 0.000 0.509 559 L N 1.642 122.737 121.223 -0.212 0.000 2.841 559 L HA -0.051 4.269 4.340 -0.034 0.000 0.282 559 L C 1.599 178.373 176.870 -0.160 0.000 1.130 559 L CA 0.490 55.116 54.840 -0.357 0.000 0.996 559 L CB -0.398 41.155 42.059 -0.843 0.000 1.364 559 L HN 0.728 nan 8.230 nan 0.000 0.466 560 G N 4.238 113.017 108.800 -0.034 0.000 2.948 560 G HA2 0.121 4.061 3.960 -0.034 0.000 0.174 560 G HA3 0.121 4.061 3.960 -0.034 0.000 0.174 560 G C -0.262 174.671 174.900 0.056 0.000 1.839 560 G CA 0.742 45.849 45.100 0.010 0.000 0.908 560 G HN 0.765 nan 8.290 nan 0.000 0.419 561 D N -2.416 118.068 120.400 0.140 0.000 2.768 561 D HA 0.292 4.912 4.640 -0.034 0.000 0.327 561 D C -0.905 175.492 176.300 0.161 0.000 1.302 561 D CA -0.990 53.155 54.000 0.242 0.000 0.897 561 D CB 0.497 41.366 40.800 0.115 0.000 1.420 561 D HN 0.312 nan 8.370 nan 0.000 0.494 562 L N 1.126 122.369 121.223 0.032 0.000 2.654 562 L HA 0.077 4.396 4.340 -0.034 0.000 0.271 562 L C 0.791 177.531 176.870 -0.217 0.000 1.169 562 L CA 0.100 54.751 54.840 -0.315 0.000 0.947 562 L CB -0.425 41.489 42.059 -0.243 0.000 1.232 562 L HN 0.392 nan 8.230 nan 0.000 0.486 563 I N 2.850 123.264 120.570 -0.260 0.000 2.235 563 I HA -0.043 4.107 4.170 -0.034 0.000 0.241 563 I C 0.792 176.819 176.117 -0.149 0.000 1.085 563 I CA 1.035 62.246 61.300 -0.148 0.000 1.378 563 I CB -0.951 36.985 38.000 -0.107 0.000 1.076 563 I HN 0.818 nan 8.210 nan 0.000 0.415 564 Q N 0.867 120.544 119.800 -0.204 0.000 2.430 564 Q HA 0.208 4.528 4.340 -0.034 0.000 0.253 564 Q C -1.474 174.424 176.000 -0.169 0.000 0.945 564 Q CA -0.473 55.243 55.803 -0.146 0.000 0.964 564 Q CB 1.549 30.237 28.738 -0.083 0.000 1.460 564 Q HN 0.270 nan 8.270 nan 0.000 0.428 565 Q N 3.390 123.111 119.800 -0.132 0.000 2.286 565 Q HA 0.344 4.663 4.340 -0.034 0.000 0.257 565 Q C -0.343 175.630 176.000 -0.046 0.000 0.941 565 Q CA -0.201 55.544 55.803 -0.096 0.000 0.912 565 Q CB 1.110 29.811 28.738 -0.061 0.000 1.192 565 Q HN 0.571 nan 8.270 nan 0.000 0.410 566 L N 3.502 124.709 121.223 -0.027 0.000 2.433 566 L HA 0.078 4.398 4.340 -0.034 0.000 0.275 566 L C 0.079 176.958 176.870 0.015 0.000 1.128 566 L CA -0.057 54.786 54.840 0.006 0.000 0.875 566 L CB 0.121 42.194 42.059 0.024 0.000 1.171 566 L HN 0.450 nan 8.230 nan 0.000 0.463 567 Q N 4.408 124.217 119.800 0.016 0.000 2.230 567 Q HA 0.378 4.698 4.340 -0.034 0.000 0.248 567 Q C -2.113 173.901 176.000 0.024 0.000 0.915 567 Q CA -1.515 54.298 55.803 0.017 0.000 0.900 567 Q CB 0.823 29.567 28.738 0.010 0.000 1.229 567 Q HN 0.352 nan 8.270 nan 0.000 0.439 568 P HA -0.004 nan 4.420 nan 0.000 0.267 568 P C -1.065 176.248 177.300 0.020 0.000 1.201 568 P CA -0.081 63.033 63.100 0.023 0.000 0.775 568 P CB 0.466 32.177 31.700 0.018 0.000 0.854 569 T N -1.815 112.752 114.554 0.022 0.000 2.879 569 T HA 0.402 4.732 4.350 -0.034 0.000 0.290 569 T C -0.447 174.261 174.700 0.014 0.000 0.993 569 T CA -1.007 61.103 62.100 0.018 0.000 0.975 569 T CB 0.948 69.829 68.868 0.022 0.000 0.981 569 T HN 0.254 nan 8.240 nan 0.000 0.439 570 E N 2.832 123.037 120.200 0.008 0.000 2.316 570 E HA 0.246 4.576 4.350 -0.034 0.000 0.275 570 E C 0.380 176.982 176.600 0.004 0.000 1.029 570 E CA -0.465 55.937 56.400 0.004 0.000 0.871 570 E CB 1.303 31.002 29.700 -0.001 0.000 1.022 570 E HN 0.580 nan 8.360 nan 0.000 0.418 571 M N 2.787 122.390 119.600 0.004 0.000 2.447 571 M HA 0.020 4.480 4.480 -0.034 0.000 0.266 571 M C -0.197 176.100 176.300 -0.004 0.000 1.120 571 M CA 0.781 56.083 55.300 0.004 0.000 1.166 571 M CB 0.420 33.026 32.600 0.011 0.000 1.349 571 M HN 0.622 nan 8.290 nan 0.000 0.463 572 N N -1.417 117.276 118.700 -0.013 0.000 4.310 572 N HA 0.027 4.747 4.740 -0.034 0.000 0.212 572 N C -1.745 173.743 175.510 -0.037 0.000 1.277 572 N CA -0.738 52.298 53.050 -0.023 0.000 0.854 572 N CB 0.751 39.222 38.487 -0.027 0.000 1.480 572 N HN -0.005 nan 8.380 nan 0.000 0.489 573 K N 0.843 121.218 120.400 -0.042 0.000 2.156 573 K HA 0.442 4.742 4.320 -0.034 0.000 0.271 573 K C -0.558 175.993 176.600 -0.082 0.000 0.995 573 K CA -0.670 55.584 56.287 -0.054 0.000 0.890 573 K CB 1.248 33.724 32.500 -0.041 0.000 1.073 573 K HN 0.393 nan 8.250 nan 0.000 0.454 574 V N 5.428 125.269 119.914 -0.122 0.000 2.421 574 V HA -0.048 4.051 4.120 -0.034 0.000 0.271 574 V C 0.265 176.306 176.094 -0.088 0.000 1.031 574 V CA -0.343 61.851 62.300 -0.177 0.000 1.032 574 V CB -0.242 31.398 31.823 -0.304 0.000 1.009 574 V HN 0.822 nan 8.190 nan 0.000 0.477 575 N N 7.376 126.039 118.700 -0.061 0.000 2.421 575 N HA 0.412 5.131 4.740 -0.034 0.000 0.260 575 N C -0.511 174.998 175.510 -0.001 0.000 1.173 575 N CA -0.235 52.797 53.050 -0.029 0.000 0.960 575 N CB 0.504 38.980 38.487 -0.019 0.000 1.273 575 N HN 0.758 nan 8.380 nan 0.000 0.497 576 I N -2.997 117.564 120.570 -0.016 0.000 3.102 576 I HA 0.424 4.574 4.170 -0.034 0.000 0.310 576 I C -0.222 175.832 176.117 -0.106 0.000 1.246 576 I CA -1.258 60.025 61.300 -0.029 0.000 0.979 576 I CB 1.778 39.795 38.000 0.028 0.000 1.267 576 I HN 0.068 nan 8.210 nan 0.000 0.451 577 S N 1.353 116.944 115.700 -0.181 0.000 2.580 577 S HA 0.005 4.455 4.470 -0.034 0.000 0.261 577 S C 0.563 175.041 174.600 -0.203 0.000 1.366 577 S CA -0.196 57.889 58.200 -0.192 0.000 0.996 577 S CB 0.327 63.380 63.200 -0.244 0.000 0.902 577 S HN 0.717 nan 8.310 nan 0.000 0.566 578 D N 1.264 121.565 120.400 -0.165 0.000 2.149 578 D HA -0.079 4.541 4.640 -0.034 0.000 0.201 578 D C 2.239 178.414 176.300 -0.208 0.000 0.972 578 D CA 1.492 55.394 54.000 -0.164 0.000 0.835 578 D CB -0.412 40.320 40.800 -0.114 0.000 0.966 578 D HN 0.585 nan 8.370 nan 0.000 0.476 579 S N 0.831 116.408 115.700 -0.206 0.000 2.402 579 S HA -0.139 4.311 4.470 -0.034 0.000 0.229 579 S C 1.443 175.855 174.600 -0.313 0.000 1.021 579 S CA 0.958 59.035 58.200 -0.206 0.000 0.974 579 S CB -0.014 63.085 63.200 -0.168 0.000 0.800 579 S HN 0.002 nan 8.310 nan 0.000 0.484 580 D N 1.418 121.521 120.400 -0.495 0.000 2.097 580 D HA -0.037 4.582 4.640 -0.034 0.000 0.197 580 D C 1.855 177.851 176.300 -0.507 0.000 0.984 580 D CA 1.253 54.713 54.000 -0.899 0.000 0.826 580 D CB -0.543 39.362 40.800 -1.492 0.000 0.973 580 D HN 0.409 nan 8.370 nan 0.000 0.460 581 M N 1.396 120.780 119.600 -0.361 0.000 2.149 581 M HA -0.163 4.297 4.480 -0.034 0.000 0.261 581 M C 2.023 178.018 176.300 -0.507 0.000 1.064 581 M CA 1.461 56.556 55.300 -0.342 0.000 1.102 581 M CB -0.567 31.838 32.600 -0.325 0.000 1.369 581 M HN 0.036 nan 8.290 nan 0.000 0.408 582 S N -0.655 114.840 115.700 -0.342 0.000 2.406 582 S HA -0.070 4.380 4.470 -0.034 0.000 0.228 582 S C 2.045 176.628 174.600 -0.028 0.000 1.020 582 S CA 1.151 59.234 58.200 -0.194 0.000 0.965 582 S CB -0.952 62.189 63.200 -0.098 0.000 0.798 582 S HN 0.609 nan 8.310 nan 0.000 0.488 583 I N 1.236 121.788 120.570 -0.029 0.000 2.286 583 I HA -0.135 4.015 4.170 -0.034 0.000 0.248 583 I C 2.376 178.630 176.117 0.228 0.000 1.115 583 I CA 1.115 62.481 61.300 0.110 0.000 1.392 583 I CB -0.307 37.780 38.000 0.144 0.000 1.065 583 I HN 0.308 nan 8.210 nan 0.000 0.418 584 L N -0.388 120.978 121.223 0.239 0.000 2.083 584 L HA -0.276 4.044 4.340 -0.034 0.000 0.209 584 L C 2.468 179.564 176.870 0.377 0.000 1.083 584 L CA 1.585 56.615 54.840 0.316 0.000 0.752 584 L CB -0.826 41.376 42.059 0.240 0.000 0.899 584 L HN 0.355 nan 8.230 nan 0.000 0.433 585 H N -1.678 117.486 119.070 0.156 0.000 2.428 585 H HA -0.176 4.359 4.556 -0.034 0.000 0.296 585 H C 2.293 177.774 175.328 0.255 0.000 1.062 585 H CA 0.714 56.868 56.048 0.177 0.000 1.350 585 H CB 0.343 30.163 29.762 0.097 0.000 1.403 585 H HN 0.231 nan 8.280 nan 0.000 0.533 586 Q N 0.989 120.984 119.800 0.325 0.000 2.084 586 Q HA -0.084 4.236 4.340 -0.034 0.000 0.202 586 Q C 2.498 178.678 176.000 0.300 0.000 0.978 586 Q CA 1.702 57.658 55.803 0.254 0.000 0.844 586 Q CB -0.693 28.139 28.738 0.158 0.000 0.898 586 Q HN 0.456 nan 8.270 nan 0.000 0.426 587 G N -0.635 108.342 108.800 0.295 0.000 2.480 587 G HA2 -0.267 3.673 3.960 -0.034 0.000 0.216 587 G HA3 -0.267 3.673 3.960 -0.034 0.000 0.216 587 G C 1.095 176.147 174.900 0.255 0.000 1.200 587 G CA 0.845 46.083 45.100 0.230 0.000 0.782 587 G HN 0.409 nan 8.290 nan 0.000 0.554 588 F N -0.399 119.634 119.950 0.138 0.000 2.250 588 F HA -0.010 4.497 4.527 -0.034 0.000 0.301 588 F C 2.263 178.099 175.800 0.060 0.000 1.077 588 F CA 0.789 58.827 58.000 0.062 0.000 1.348 588 F CB -0.518 38.500 39.000 0.030 0.000 1.040 588 F HN 0.261 nan 8.300 nan 0.000 0.509 589 Y N 0.487 120.922 120.300 0.227 0.000 2.263 589 Y HA -0.178 4.352 4.550 -0.034 0.000 0.292 589 Y C 2.216 178.253 175.900 0.229 0.000 1.130 589 Y CA 1.638 59.850 58.100 0.185 0.000 1.179 589 Y CB -0.338 38.192 38.460 0.117 0.000 0.998 589 Y HN 0.069 nan 8.280 nan 0.000 0.532 590 Q N -1.054 118.884 119.800 0.228 0.000 2.398 590 Q HA -0.019 4.301 4.340 -0.034 0.000 0.204 590 Q C 2.007 178.028 176.000 0.035 0.000 0.932 590 Q CA 0.666 56.551 55.803 0.136 0.000 0.916 590 Q CB 0.296 29.121 28.738 0.145 0.000 1.024 590 Q HN 0.339 nan 8.270 nan 0.000 0.504 591 V N 0.305 120.220 119.914 0.002 0.000 2.720 591 V HA -0.226 3.874 4.120 -0.034 0.000 0.256 591 V C 1.777 177.878 176.094 0.012 0.000 1.082 591 V CA 1.865 64.151 62.300 -0.023 0.000 1.101 591 V CB -0.455 31.318 31.823 -0.083 0.000 0.693 591 V HN 0.377 nan 8.190 nan 0.000 0.479 592 A N -1.210 121.589 122.820 -0.036 0.000 2.013 592 A HA 0.098 4.397 4.320 -0.034 0.000 0.204 592 A C 1.688 179.048 177.584 -0.372 0.000 1.262 592 A CA 0.392 52.331 52.037 -0.164 0.000 0.800 592 A CB -0.182 18.642 19.000 -0.293 0.000 0.909 592 A HN 0.610 nan 8.150 nan 0.000 0.472 593 H N -0.348 118.588 119.070 -0.224 0.000 2.652 593 H HA 0.370 4.906 4.556 -0.034 0.000 0.274 593 H C 1.262 176.565 175.328 -0.042 0.000 1.021 593 H CA -0.130 55.807 56.048 -0.185 0.000 1.187 593 H CB 0.286 29.811 29.762 -0.395 0.000 1.505 593 H HN 0.445 nan 8.280 nan 0.000 0.530 594 G N 0.366 109.210 108.800 0.073 0.000 2.636 594 G HA2 0.227 4.166 3.960 -0.034 0.000 0.246 594 G HA3 0.227 4.166 3.960 -0.034 0.000 0.246 594 G C 0.813 175.770 174.900 0.095 0.000 1.216 594 G CA 0.222 45.385 45.100 0.106 0.000 0.854 594 G HN 0.390 nan 8.290 nan 0.000 0.572 595 T N -2.745 111.876 114.554 0.111 0.000 3.252 595 T HA 0.385 4.715 4.350 -0.034 0.000 0.286 595 T C 0.736 175.492 174.700 0.094 0.000 1.013 595 T CA 0.229 62.383 62.100 0.090 0.000 0.914 595 T CB 0.099 69.017 68.868 0.082 0.000 1.131 595 T HN 0.621 nan 8.240 nan 0.000 0.529 596 S N -0.067 115.712 115.700 0.131 0.000 2.610 596 S HA 0.558 5.007 4.470 -0.034 0.000 0.273 596 S C 1.774 176.430 174.600 0.092 0.000 1.274 596 S CA 0.024 58.292 58.200 0.113 0.000 1.023 596 S CB 0.850 64.177 63.200 0.212 0.000 0.962 596 S HN 0.434 nan 8.310 nan 0.000 0.523 597 G N 2.408 111.235 108.800 0.046 0.000 2.535 597 G HA2 -0.016 3.924 3.960 -0.034 0.000 0.218 597 G HA3 -0.016 3.924 3.960 -0.034 0.000 0.218 597 G C 1.005 176.000 174.900 0.158 0.000 1.122 597 G CA 0.397 45.549 45.100 0.085 0.000 0.769 597 G HN 0.692 nan 8.290 nan 0.000 0.549 598 L N 0.326 121.600 121.223 0.086 0.000 2.556 598 L HA 0.106 4.425 4.340 -0.034 0.000 0.226 598 L C 0.884 178.059 176.870 0.509 0.000 1.089 598 L CA 0.028 55.016 54.840 0.247 0.000 0.864 598 L CB -0.256 41.515 42.059 -0.479 0.000 1.067 598 L HN 0.015 nan 8.230 nan 0.000 0.477 599 T N 0.597 115.374 114.554 0.371 0.000 2.891 599 T HA -0.068 4.262 4.350 -0.034 0.000 0.296 599 T C 1.487 176.263 174.700 0.127 0.000 1.025 599 T CA 0.752 63.013 62.100 0.269 0.000 1.149 599 T CB 0.993 69.950 68.868 0.149 0.000 1.007 599 T HN 0.399 nan 8.240 nan 0.000 0.528 600 T N -0.166 114.413 114.554 0.041 0.000 3.051 600 T HA 0.218 4.547 4.350 -0.034 0.000 0.255 600 T C 1.468 176.037 174.700 -0.218 0.000 1.085 600 T CA 0.394 62.417 62.100 -0.129 0.000 1.109 600 T CB 0.285 69.060 68.868 -0.155 0.000 0.921 600 T HN 0.655 nan 8.240 nan 0.000 0.488 601 G N 0.570 109.252 108.800 -0.196 0.000 4.432 601 G HA2 0.281 4.221 3.960 -0.034 0.000 0.294 601 G HA3 0.281 4.221 3.960 -0.034 0.000 0.294 601 G C 0.915 175.648 174.900 -0.279 0.000 1.141 601 G CA -0.659 44.218 45.100 -0.372 0.000 0.895 601 G HN 0.281 nan 8.290 nan 0.000 0.548 602 R N 0.205 120.593 120.500 -0.186 0.000 2.293 602 R HA -0.032 4.288 4.340 -0.034 0.000 0.219 602 R C 2.576 178.777 176.300 -0.164 0.000 1.091 602 R CA 0.876 56.890 56.100 -0.145 0.000 1.004 602 R CB 0.111 30.356 30.300 -0.091 0.000 0.865 602 R HN 0.381 nan 8.270 nan 0.000 0.469 603 A N 0.708 123.374 122.820 -0.256 0.000 1.969 603 A HA -0.148 4.152 4.320 -0.034 0.000 0.218 603 A C 1.582 179.070 177.584 -0.161 0.000 1.169 603 A CA 0.983 52.879 52.037 -0.235 0.000 0.635 603 A CB -0.432 18.372 19.000 -0.326 0.000 0.810 603 A HN 0.150 nan 8.150 nan 0.000 0.445 604 F N 0.903 120.773 119.950 -0.133 0.000 2.091 604 F HA -0.173 4.333 4.527 -0.034 0.000 0.299 604 F C 2.695 178.407 175.800 -0.147 0.000 1.103 604 F CA 1.608 59.524 58.000 -0.140 0.000 1.228 604 F CB -0.924 37.963 39.000 -0.188 0.000 0.984 604 F HN 0.148 nan 8.300 nan 0.000 0.477 605 S N -1.090 114.601 115.700 -0.015 0.000 2.527 605 S HA -0.074 4.376 4.470 -0.034 0.000 0.222 605 S C 0.692 175.270 174.600 -0.037 0.000 0.985 605 S CA -0.042 58.095 58.200 -0.104 0.000 0.921 605 S CB -0.694 62.343 63.200 -0.272 0.000 0.772 605 S HN 0.233 nan 8.310 nan 0.000 0.529 606 N N 1.668 120.355 118.700 -0.021 0.000 2.402 606 N HA 0.340 5.060 4.740 -0.034 0.000 0.259 606 N C 0.700 176.222 175.510 0.020 0.000 1.167 606 N CA 0.782 53.829 53.050 -0.006 0.000 0.949 606 N CB -0.087 38.391 38.487 -0.016 0.000 1.212 606 N HN 0.223 nan 8.380 nan 0.000 0.493 607 G N 1.871 110.685 108.800 0.024 0.000 2.137 607 G HA2 -0.157 3.783 3.960 -0.034 0.000 0.237 607 G HA3 -0.157 3.783 3.960 -0.034 0.000 0.237 607 G C 0.192 175.120 174.900 0.048 0.000 1.002 607 G CA 0.044 45.165 45.100 0.035 0.000 0.702 607 G HN 0.896 nan 8.290 nan 0.000 0.515 608 A N -0.751 122.098 122.820 0.048 0.000 2.351 608 A HA 0.775 5.075 4.320 -0.034 0.000 0.257 608 A C 1.282 178.902 177.584 0.060 0.000 1.087 608 A CA 0.164 52.237 52.037 0.061 0.000 0.798 608 A CB 0.536 19.570 19.000 0.057 0.000 1.033 608 A HN 0.777 nan 8.150 nan 0.000 0.488 609 L N 1.425 122.687 121.223 0.065 0.000 2.607 609 L HA 0.211 4.531 4.340 -0.034 0.000 0.228 609 L C 0.090 176.992 176.870 0.053 0.000 1.123 609 L CA 0.221 55.093 54.840 0.052 0.000 0.890 609 L CB -0.084 42.005 42.059 0.050 0.000 1.103 609 L HN 0.692 nan 8.230 nan 0.000 0.468 610 V N -6.486 113.471 119.914 0.072 0.000 3.232 610 V HA 0.431 4.531 4.120 -0.034 0.000 0.303 610 V C -0.437 175.723 176.094 0.111 0.000 1.311 610 V CA -0.938 61.412 62.300 0.082 0.000 1.061 610 V CB 1.775 33.647 31.823 0.082 0.000 1.085 610 V HN -0.173 nan 8.190 nan 0.000 0.447 611 S N 1.216 116.998 115.700 0.137 0.000 2.481 611 S HA 0.631 5.081 4.470 -0.034 0.000 0.276 611 S C -0.369 174.333 174.600 0.170 0.000 1.247 611 S CA -0.335 57.989 58.200 0.207 0.000 1.053 611 S CB -0.839 62.478 63.200 0.196 0.000 0.925 611 S HN 0.567 nan 8.310 nan 0.000 0.491 612 I N 3.962 124.613 120.570 0.134 0.000 2.441 612 I HA 0.342 4.491 4.170 -0.034 0.000 0.295 612 I C -0.114 175.919 176.117 -0.141 0.000 0.994 612 I CA -0.472 60.797 61.300 -0.051 0.000 1.144 612 I CB 2.176 40.089 38.000 -0.144 0.000 1.314 612 I HN 0.469 nan 8.210 nan 0.000 0.445 613 S N 3.192 118.672 115.700 -0.367 0.000 2.482 613 S HA 0.873 5.323 4.470 -0.034 0.000 0.303 613 S C 0.005 174.190 174.600 -0.692 0.000 1.091 613 S CA -0.631 57.309 58.200 -0.433 0.000 1.057 613 S CB 2.110 65.137 63.200 -0.288 0.000 1.031 613 S HN 0.908 nan 8.310 nan 0.000 0.485 614 G N 1.127 109.586 108.800 -0.567 0.000 2.706 614 G HA2 0.718 4.658 3.960 -0.034 0.000 0.307 614 G HA3 0.718 4.658 3.960 -0.034 0.000 0.307 614 G C -1.887 172.748 174.900 -0.441 0.000 1.307 614 G CA -0.737 44.018 45.100 -0.575 0.000 0.790 614 G HN 0.566 nan 8.290 nan 0.000 0.503 615 K N 0.095 120.393 120.400 -0.171 0.000 2.565 615 K HA 0.599 4.899 4.320 -0.034 0.000 0.251 615 K C -0.229 176.423 176.600 0.087 0.000 0.956 615 K CA -0.198 55.957 56.287 -0.219 0.000 0.809 615 K CB 1.408 33.563 32.500 -0.574 0.000 1.267 615 K HN 0.929 nan 8.250 nan 0.000 0.438 616 T N -0.133 114.441 114.554 0.033 0.000 2.912 616 T HA 0.875 5.205 4.350 -0.034 0.000 0.280 616 T C 0.216 174.902 174.700 -0.024 0.000 0.989 616 T CA -0.636 61.457 62.100 -0.012 0.000 0.995 616 T CB 1.647 70.405 68.868 -0.184 0.000 1.077 616 T HN 0.649 nan 8.240 nan 0.000 0.531 617 G N -0.466 108.317 108.800 -0.028 0.000 2.731 617 G HA2 0.557 4.497 3.960 -0.034 0.000 0.298 617 G HA3 0.557 4.497 3.960 -0.034 0.000 0.298 617 G C -1.244 173.639 174.900 -0.028 0.000 1.424 617 G CA -0.653 44.445 45.100 -0.003 0.000 1.029 617 G HN 0.883 nan 8.290 nan 0.000 0.518 618 T N -0.564 113.978 114.554 -0.019 0.000 2.912 618 T HA 0.798 5.128 4.350 -0.034 0.000 0.299 618 T C -0.573 174.149 174.700 0.037 0.000 1.052 618 T CA 0.222 62.313 62.100 -0.014 0.000 0.996 618 T CB 1.442 70.275 68.868 -0.059 0.000 1.070 618 T HN 1.576 nan 8.240 nan 0.000 0.465 619 A N 3.682 126.535 122.820 0.056 0.000 2.515 619 A HA 0.931 5.231 4.320 -0.034 0.000 0.296 619 A C -0.959 176.677 177.584 0.088 0.000 1.094 619 A CA -0.767 51.327 52.037 0.096 0.000 0.718 619 A CB 1.619 20.687 19.000 0.113 0.000 1.307 619 A HN 0.805 nan 8.150 nan 0.000 0.408 620 E N -0.330 119.933 120.200 0.106 0.000 2.447 620 E HA 0.837 5.167 4.350 -0.034 0.000 0.258 620 E C -0.221 176.455 176.600 0.127 0.000 0.916 620 E CA -0.067 56.393 56.400 0.099 0.000 0.846 620 E CB 1.978 31.724 29.700 0.077 0.000 1.517 620 E HN 1.426 nan 8.360 nan 0.000 0.418 621 S N -1.345 114.426 115.700 0.117 0.000 2.849 621 S HA -0.032 4.418 4.470 -0.034 0.000 0.290 621 S C -1.089 173.586 174.600 0.124 0.000 1.186 621 S CA -0.966 57.316 58.200 0.137 0.000 1.415 621 S CB -0.852 62.457 63.200 0.181 0.000 1.255 621 S HN 0.532 nan 8.310 nan 0.000 0.391 622 Y N 0.895 121.194 120.300 -0.003 0.000 3.137 622 Y HA 0.284 4.814 4.550 -0.033 0.000 0.348 622 Y C 0.473 176.287 175.900 -0.144 0.000 1.275 622 Y CA 2.052 60.118 58.100 -0.056 0.000 1.516 622 Y CB 0.234 38.668 38.460 -0.042 0.000 1.268 622 Y HN 1.294 nan 8.280 nan 0.000 0.644 623 V N 5.475 125.094 119.914 -0.492 0.000 3.572 623 V HA 0.464 4.564 4.120 -0.034 0.000 0.245 623 V C -0.046 175.506 176.094 -0.903 0.000 0.932 623 V CA -0.111 61.816 62.300 -0.622 0.000 1.085 623 V CB -0.087 31.475 31.823 -0.436 0.000 0.913 623 V HN 1.740 nan 8.190 nan 0.000 0.505 624 A N 4.664 126.983 122.820 -0.835 0.000 5.896 624 A HA -0.229 4.071 4.320 -0.034 0.000 0.309 624 A C 0.332 177.596 177.584 -0.533 0.000 1.873 624 A CA 1.383 53.026 52.037 -0.658 0.000 0.760 624 A CB -1.169 17.359 19.000 -0.787 0.000 1.279 624 A HN 1.163 nan 8.150 nan 0.000 0.399 625 D N 1.377 121.623 120.400 -0.256 0.000 2.380 625 D HA 0.462 5.081 4.640 -0.034 0.000 0.270 625 D C 0.326 176.589 176.300 -0.061 0.000 1.363 625 D CA 2.071 55.994 54.000 -0.128 0.000 1.057 625 D CB -0.531 40.255 40.800 -0.023 0.000 1.096 625 D HN 1.251 nan 8.370 nan 0.000 0.524 626 G N 1.316 110.021 108.800 -0.159 0.000 2.523 626 G HA2 0.508 4.448 3.960 -0.034 0.000 0.291 626 G HA3 0.508 4.448 3.960 -0.034 0.000 0.291 626 G C -1.437 173.367 174.900 -0.159 0.000 1.450 626 G CA -0.697 44.342 45.100 -0.101 0.000 0.790 626 G HN 0.350 nan 8.290 nan 0.000 0.496 627 Q N -0.866 118.879 119.800 -0.091 0.000 2.656 627 Q HA -0.021 4.298 4.340 -0.034 0.000 0.219 627 Q C -0.736 175.241 176.000 -0.039 0.000 0.729 627 Q CA 0.681 56.462 55.803 -0.036 0.000 0.827 627 Q CB -1.274 27.479 28.738 0.025 0.000 0.603 627 Q HN 1.276 nan 8.270 nan 0.000 0.430 628 Q N 2.967 122.761 119.800 -0.010 0.000 2.243 628 Q HA 0.887 5.207 4.340 -0.034 0.000 0.252 628 Q C -0.765 175.244 176.000 0.016 0.000 0.909 628 Q CA 0.018 55.824 55.803 0.006 0.000 0.922 628 Q CB 1.793 30.540 28.738 0.015 0.000 1.215 628 Q HN 1.074 nan 8.270 nan 0.000 0.427 629 A N 2.071 124.909 122.820 0.031 0.000 2.599 629 A HA 0.824 5.124 4.320 -0.034 0.000 0.290 629 A C -0.860 176.761 177.584 0.062 0.000 1.101 629 A CA -0.100 51.960 52.037 0.038 0.000 0.674 629 A CB 1.828 20.865 19.000 0.062 0.000 1.277 629 A HN 0.999 nan 8.150 nan 0.000 0.419 630 T N -0.779 113.802 114.554 0.046 0.000 2.816 630 T HA 0.634 4.964 4.350 -0.034 0.000 0.299 630 T C -1.298 173.413 174.700 0.020 0.000 1.230 630 T CA -0.829 61.298 62.100 0.045 0.000 1.007 630 T CB 1.466 70.338 68.868 0.007 0.000 1.289 630 T HN 0.549 nan 8.240 nan 0.000 0.508 631 N N 1.380 120.096 118.700 0.027 0.000 2.509 631 N HA 0.505 5.224 4.740 -0.034 0.000 0.287 631 N C -0.007 175.480 175.510 -0.039 0.000 1.121 631 N CA -0.298 52.754 53.050 0.002 0.000 0.977 631 N CB 1.574 40.080 38.487 0.033 0.000 1.167 631 N HN 0.885 nan 8.380 nan 0.000 0.476 632 T N -1.424 113.092 114.554 -0.063 0.000 3.532 632 T HA 0.308 4.638 4.350 -0.034 0.000 0.241 632 T C -0.313 174.377 174.700 -0.018 0.000 1.238 632 T CA -0.958 61.093 62.100 -0.082 0.000 1.405 632 T CB -0.673 68.091 68.868 -0.174 0.000 0.971 632 T HN 0.197 nan 8.240 nan 0.000 0.640 633 N N 1.930 120.638 118.700 0.013 0.000 2.399 633 N HA 0.647 5.367 4.740 -0.034 0.000 0.250 633 N C -0.373 175.171 175.510 0.056 0.000 1.272 633 N CA -0.424 52.653 53.050 0.044 0.000 0.928 633 N CB 0.978 39.499 38.487 0.056 0.000 1.158 633 N HN 0.789 nan 8.380 nan 0.000 0.463 634 A N -0.397 122.481 122.820 0.096 0.000 2.513 634 A HA 0.518 4.817 4.320 -0.034 0.000 0.296 634 A C -0.712 176.981 177.584 0.181 0.000 1.052 634 A CA -0.808 51.324 52.037 0.160 0.000 0.714 634 A CB 0.733 19.848 19.000 0.192 0.000 1.279 634 A HN 0.491 nan 8.150 nan 0.000 0.397 635 V N -0.705 119.326 119.914 0.195 0.000 2.769 635 V HA 1.057 5.157 4.120 -0.034 0.000 0.312 635 V C 0.030 176.157 176.094 0.056 0.000 1.058 635 V CA -0.105 62.291 62.300 0.160 0.000 0.952 635 V CB 1.109 33.074 31.823 0.237 0.000 1.019 635 V HN 2.615 nan 8.190 nan 0.000 0.445 636 A N 2.660 125.472 122.820 -0.014 0.000 2.567 636 A HA 0.919 5.219 4.320 -0.034 0.000 0.291 636 A C -1.430 176.105 177.584 -0.082 0.000 1.048 636 A CA -0.259 51.629 52.037 -0.249 0.000 0.661 636 A CB 1.403 20.059 19.000 -0.573 0.000 1.288 636 A HN 2.347 nan 8.150 nan 0.000 0.424 637 Y N -2.567 117.677 120.300 -0.094 0.000 2.728 637 Y HA 0.968 5.498 4.550 -0.034 0.000 0.330 637 Y C -0.343 175.536 175.900 -0.035 0.000 1.234 637 Y CA -1.209 56.856 58.100 -0.057 0.000 1.070 637 Y CB 0.783 39.198 38.460 -0.075 0.000 1.300 637 Y HN 2.311 nan 8.280 nan 0.000 0.467 638 A N -0.031 122.997 122.820 0.348 0.000 2.517 638 A HA 0.623 4.923 4.320 -0.034 0.000 0.296 638 A C -3.375 174.331 177.584 0.203 0.000 0.983 638 A CA -1.363 50.818 52.037 0.240 0.000 0.634 638 A CB 0.386 19.464 19.000 0.129 0.000 1.341 638 A HN 0.507 nan 8.150 nan 0.000 0.438 639 P HA 0.206 nan 4.420 nan 0.000 0.270 639 P C 0.816 178.233 177.300 0.195 0.000 1.223 639 P CA 0.337 63.531 63.100 0.157 0.000 0.785 639 P CB 0.656 32.428 31.700 0.120 0.000 0.923 640 S N 0.470 116.294 115.700 0.206 0.000 2.368 640 S HA -0.186 4.264 4.470 -0.034 0.000 0.225 640 S C 1.593 176.292 174.600 0.164 0.000 1.030 640 S CA 1.529 59.891 58.200 0.269 0.000 0.999 640 S CB -0.843 62.543 63.200 0.310 0.000 0.844 640 S HN 0.621 nan 8.310 nan 0.000 0.459 641 D N 2.032 122.494 120.400 0.102 0.000 2.103 641 D HA -0.134 4.486 4.640 -0.034 0.000 0.190 641 D C 0.678 176.998 176.300 0.033 0.000 0.997 641 D CA 1.173 55.198 54.000 0.042 0.000 0.833 641 D CB -0.272 40.543 40.800 0.024 0.000 0.961 641 D HN 0.395 nan 8.370 nan 0.000 0.447 642 N N -0.680 118.051 118.700 0.052 0.000 2.750 642 N HA 0.279 4.998 4.740 -0.034 0.000 0.253 642 N C -2.865 172.672 175.510 0.045 0.000 1.408 642 N CA -1.393 51.679 53.050 0.036 0.000 0.780 642 N CB 1.538 40.054 38.487 0.049 0.000 1.191 642 N HN -0.200 nan 8.380 nan 0.000 0.511 643 P HA 0.012 nan 4.420 nan 0.000 0.257 643 P C -0.191 177.131 177.300 0.038 0.000 1.189 643 P CA 0.514 63.622 63.100 0.014 0.000 0.780 643 P CB 0.709 32.291 31.700 -0.195 0.000 0.772 644 Q N 2.570 122.438 119.800 0.112 0.000 2.280 644 Q HA 0.321 4.641 4.340 -0.034 0.000 0.228 644 Q C 0.450 176.540 176.000 0.151 0.000 0.857 644 Q CA 0.030 55.923 55.803 0.149 0.000 0.939 644 Q CB 0.881 29.757 28.738 0.229 0.000 1.114 644 Q HN 0.442 nan 8.270 nan 0.000 0.514 645 I N -0.048 120.603 120.570 0.134 0.000 2.692 645 I HA 0.624 4.774 4.170 -0.034 0.000 0.293 645 I C -2.019 174.143 176.117 0.075 0.000 1.200 645 I CA -0.932 60.401 61.300 0.055 0.000 1.036 645 I CB 1.815 39.850 38.000 0.060 0.000 1.258 645 I HN -0.127 nan 8.210 nan 0.000 0.421 646 A N 6.953 129.791 122.820 0.030 0.000 2.356 646 A HA 0.794 5.094 4.320 -0.034 0.000 0.310 646 A C -1.733 175.882 177.584 0.052 0.000 1.075 646 A CA -0.520 51.559 52.037 0.070 0.000 0.746 646 A CB 1.839 20.867 19.000 0.046 0.000 1.221 646 A HN 0.614 nan 8.150 nan 0.000 0.443 647 V N 1.236 121.192 119.914 0.069 0.000 3.007 647 V HA 0.912 5.011 4.120 -0.034 0.000 0.311 647 V C -0.563 175.579 176.094 0.080 0.000 1.120 647 V CA 0.118 62.456 62.300 0.064 0.000 0.980 647 V CB 2.094 33.954 31.823 0.062 0.000 1.033 647 V HN 1.850 nan 8.190 nan 0.000 0.429 648 A N 4.534 127.405 122.820 0.086 0.000 2.422 648 A HA 0.889 5.189 4.320 -0.034 0.000 0.302 648 A C -1.634 176.002 177.584 0.086 0.000 1.041 648 A CA -0.513 51.587 52.037 0.104 0.000 0.708 648 A CB 2.116 21.193 19.000 0.128 0.000 1.257 648 A HN 1.064 nan 8.150 nan 0.000 0.414 649 V N 2.157 122.121 119.914 0.083 0.000 2.531 649 V HA 0.522 4.622 4.120 -0.034 0.000 0.301 649 V C -0.664 175.460 176.094 0.049 0.000 1.034 649 V CA -0.553 61.779 62.300 0.054 0.000 0.865 649 V CB 1.699 33.545 31.823 0.038 0.000 0.995 649 V HN 0.696 nan 8.190 nan 0.000 0.424 650 V N 5.644 125.568 119.914 0.017 0.000 2.409 650 V HA 0.505 4.605 4.120 -0.034 0.000 0.291 650 V C -0.955 175.117 176.094 -0.036 0.000 1.020 650 V CA -0.400 61.873 62.300 -0.046 0.000 0.848 650 V CB 1.675 33.386 31.823 -0.186 0.000 0.990 650 V HN 0.709 nan 8.190 nan 0.000 0.430 651 F N 8.941 128.800 119.950 -0.153 0.000 2.686 651 F HA 0.570 5.077 4.527 -0.034 0.000 0.365 651 F C -2.592 173.154 175.800 -0.090 0.000 1.196 651 F CA -3.088 54.846 58.000 -0.111 0.000 1.198 651 F CB 1.558 40.503 39.000 -0.092 0.000 1.454 651 F HN 0.330 nan 8.300 nan 0.000 0.539 652 P HA 0.150 nan 4.420 nan 0.000 0.276 652 P C -0.528 176.888 177.300 0.194 0.000 1.252 652 P CA 0.199 63.351 63.100 0.087 0.000 0.802 652 P CB 0.551 32.220 31.700 -0.052 0.000 1.035 653 H N -1.888 117.271 119.070 0.148 0.000 2.315 653 H HA -0.206 4.330 4.556 -0.033 0.000 0.324 653 H C 0.761 176.136 175.328 0.079 0.000 0.996 653 H CA -0.215 55.912 56.048 0.131 0.000 1.090 653 H CB -1.256 28.619 29.762 0.187 0.000 1.580 653 H HN 0.391 nan 8.280 nan 0.000 0.374 654 N N 0.357 119.084 118.700 0.046 0.000 2.530 654 N HA 0.025 4.745 4.740 -0.034 0.000 0.277 654 N C 1.123 176.584 175.510 -0.080 0.000 1.168 654 N CA 0.598 53.548 53.050 -0.166 0.000 0.979 654 N CB 1.651 39.866 38.487 -0.454 0.000 1.141 654 N HN 0.300 nan 8.380 nan 0.000 0.459 655 T N 1.499 115.987 114.554 -0.111 0.000 2.976 655 T HA 0.076 4.406 4.350 -0.034 0.000 0.257 655 T C 1.171 175.813 174.700 -0.096 0.000 1.051 655 T CA 0.690 62.750 62.100 -0.066 0.000 1.141 655 T CB -0.052 68.768 68.868 -0.080 0.000 0.881 655 T HN 0.461 nan 8.240 nan 0.000 0.461 656 N N 1.288 119.898 118.700 -0.149 0.000 2.244 656 N HA -0.018 4.701 4.740 -0.034 0.000 0.183 656 N C 1.648 177.089 175.510 -0.116 0.000 1.016 656 N CA 0.992 53.962 53.050 -0.134 0.000 0.866 656 N CB -0.332 38.061 38.487 -0.156 0.000 0.980 656 N HN 0.420 nan 8.380 nan 0.000 0.430 657 L N -0.910 120.236 121.223 -0.128 0.000 5.272 657 L HA -0.351 3.969 4.340 -0.034 0.000 0.439 657 L C 1.235 178.046 176.870 -0.099 0.000 1.014 657 L CA 2.263 57.044 54.840 -0.099 0.000 1.156 657 L CB -1.849 40.172 42.059 -0.063 0.000 1.767 657 L HN 0.239 nan 8.230 nan 0.000 0.703 658 T N -0.421 114.071 114.554 -0.104 0.000 2.967 658 T HA 0.197 4.527 4.350 -0.034 0.000 0.238 658 T C 0.579 175.210 174.700 -0.115 0.000 1.024 658 T CA 0.789 62.834 62.100 -0.092 0.000 1.234 658 T CB 0.029 68.852 68.868 -0.075 0.000 0.931 658 T HN 0.501 nan 8.240 nan 0.000 0.417 659 N N 2.014 120.642 118.700 -0.121 0.000 2.558 659 N HA 0.370 5.089 4.740 -0.034 0.000 0.242 659 N C -0.304 175.110 175.510 -0.160 0.000 0.979 659 N CA -0.238 52.730 53.050 -0.137 0.000 0.931 659 N CB 1.409 39.830 38.487 -0.110 0.000 1.122 659 N HN 0.445 nan 8.380 nan 0.000 0.508 660 G N 0.422 109.110 108.800 -0.187 0.000 2.313 660 G HA2 0.163 4.103 3.960 -0.034 0.000 0.250 660 G HA3 0.163 4.103 3.960 -0.034 0.000 0.250 660 G C 1.174 175.952 174.900 -0.203 0.000 1.281 660 G CA -0.457 44.519 45.100 -0.206 0.000 0.917 660 G HN 0.432 nan 8.290 nan 0.000 0.501 661 V N 1.598 121.386 119.914 -0.211 0.000 3.633 661 V HA 0.279 4.378 4.120 -0.034 0.000 0.283 661 V C 1.863 177.826 176.094 -0.219 0.000 1.305 661 V CA 0.953 63.128 62.300 -0.209 0.000 1.153 661 V CB -0.141 31.575 31.823 -0.178 0.000 0.950 661 V HN 0.646 nan 8.190 nan 0.000 0.432 662 G N 1.776 110.488 108.800 -0.147 0.000 2.414 662 G HA2 -0.047 3.892 3.960 -0.034 0.000 0.215 662 G HA3 -0.047 3.892 3.960 -0.034 0.000 0.215 662 G C 0.090 174.954 174.900 -0.061 0.000 1.188 662 G CA 1.246 46.305 45.100 -0.069 0.000 0.783 662 G HN 0.616 nan 8.290 nan 0.000 0.537 663 P HA -0.144 nan 4.420 nan 0.000 0.213 663 P C 2.234 179.527 177.300 -0.011 0.000 1.170 663 P CA 2.077 65.111 63.100 -0.110 0.000 0.898 663 P CB -0.342 30.937 31.700 -0.701 0.000 0.787 664 S N -0.323 115.296 115.700 -0.136 0.000 2.372 664 S HA -0.202 4.248 4.470 -0.034 0.000 0.227 664 S C 2.070 176.628 174.600 -0.071 0.000 1.044 664 S CA 1.515 59.671 58.200 -0.073 0.000 1.050 664 S CB -1.179 61.966 63.200 -0.093 0.000 0.901 664 S HN -0.022 nan 8.310 nan 0.000 0.447 665 I N 1.652 122.043 120.570 -0.299 0.000 2.118 665 I HA -0.224 3.926 4.170 -0.034 0.000 0.241 665 I C 2.903 179.020 176.117 -0.000 0.000 1.070 665 I CA 1.401 62.532 61.300 -0.282 0.000 1.327 665 I CB -0.655 37.122 38.000 -0.372 0.000 1.034 665 I HN 0.449 nan 8.210 nan 0.000 0.405 666 A N 0.624 123.474 122.820 0.050 0.000 1.933 666 A HA -0.240 4.060 4.320 -0.034 0.000 0.218 666 A C 2.442 180.104 177.584 0.130 0.000 1.175 666 A CA 1.711 53.811 52.037 0.105 0.000 0.628 666 A CB -0.685 18.404 19.000 0.149 0.000 0.814 666 A HN 0.399 nan 8.150 nan 0.000 0.444 667 R N -0.143 120.461 120.500 0.173 0.000 2.094 667 R HA -0.223 4.097 4.340 -0.034 0.000 0.239 667 R C 1.270 177.660 176.300 0.150 0.000 1.137 667 R CA 2.240 58.440 56.100 0.166 0.000 0.943 667 R CB -0.486 29.924 30.300 0.182 0.000 0.850 667 R HN 0.403 nan 8.270 nan 0.000 0.433 668 D N 0.232 120.729 120.400 0.161 0.000 2.219 668 D HA -0.072 4.548 4.640 -0.034 0.000 0.205 668 D C 1.892 178.293 176.300 0.169 0.000 0.970 668 D CA 0.947 55.052 54.000 0.175 0.000 0.851 668 D CB -0.051 40.892 40.800 0.239 0.000 0.943 668 D HN 0.337 nan 8.370 nan 0.000 0.488 669 I N 0.482 121.145 120.570 0.155 0.000 2.099 669 I HA -0.262 3.887 4.170 -0.034 0.000 0.239 669 I C 2.346 178.615 176.117 0.253 0.000 1.066 669 I CA 0.880 62.278 61.300 0.164 0.000 1.324 669 I CB -0.184 37.887 38.000 0.119 0.000 1.037 669 I HN -0.021 nan 8.210 nan 0.000 0.401 670 I N 0.750 121.447 120.570 0.212 0.000 2.091 670 I HA -0.387 3.762 4.170 -0.034 0.000 0.239 670 I C 2.352 178.628 176.117 0.265 0.000 1.061 670 I CA 1.583 63.029 61.300 0.244 0.000 1.317 670 I CB -0.626 37.471 38.000 0.162 0.000 1.031 670 I HN 0.347 nan 8.210 nan 0.000 0.401 671 N N 0.827 119.646 118.700 0.197 0.000 2.060 671 N HA -0.221 4.499 4.740 -0.034 0.000 0.195 671 N C 1.905 177.540 175.510 0.208 0.000 1.028 671 N CA 1.378 54.531 53.050 0.172 0.000 0.861 671 N CB -0.580 37.989 38.487 0.137 0.000 1.029 671 N HN 0.329 nan 8.380 nan 0.000 0.428 672 L N -0.440 120.935 121.223 0.253 0.000 2.043 672 L HA -0.251 4.069 4.340 -0.034 0.000 0.212 672 L C 2.269 179.416 176.870 0.463 0.000 1.075 672 L CA 1.504 56.535 54.840 0.319 0.000 0.752 672 L CB -0.422 41.813 42.059 0.293 0.000 0.891 672 L HN 0.255 nan 8.230 nan 0.000 0.432 673 Y N 0.219 120.735 120.300 0.360 0.000 2.220 673 Y HA -0.235 4.295 4.550 -0.033 0.000 0.291 673 Y C 2.734 178.753 175.900 0.199 0.000 1.129 673 Y CA 1.504 59.719 58.100 0.193 0.000 1.161 673 Y CB -0.286 38.224 38.460 0.084 0.000 0.997 673 Y HN 0.142 nan 8.280 nan 0.000 0.522 674 Q N 0.981 120.818 119.800 0.060 0.000 2.230 674 Q HA -0.196 4.124 4.340 -0.034 0.000 0.202 674 Q C 2.041 178.025 176.000 -0.026 0.000 0.963 674 Q CA 1.407 57.174 55.803 -0.060 0.000 0.866 674 Q CB -0.187 28.571 28.738 0.033 0.000 0.931 674 Q HN 0.549 nan 8.270 nan 0.000 0.452 675 K N -0.710 119.733 120.400 0.072 0.000 2.504 675 K HA -0.160 4.140 4.320 -0.034 0.000 0.195 675 K C 1.423 178.090 176.600 0.113 0.000 1.036 675 K CA 0.660 56.996 56.287 0.082 0.000 0.984 675 K CB -0.001 32.570 32.500 0.117 0.000 0.788 675 K HN 0.165 nan 8.250 nan 0.000 0.488 676 Y N -0.274 119.998 120.300 -0.047 0.000 2.522 676 Y HA 0.080 4.610 4.550 -0.034 0.000 0.277 676 Y C -0.082 175.763 175.900 -0.093 0.000 1.104 676 Y CA 0.574 58.648 58.100 -0.045 0.000 1.260 676 Y CB 0.519 38.956 38.460 -0.038 0.000 1.151 676 Y HN 0.231 nan 8.280 nan 0.000 0.539 677 H N 0.177 119.011 119.070 -0.394 0.000 2.734 677 H HA 0.376 4.912 4.556 -0.033 0.000 0.247 677 H C -3.074 172.042 175.328 -0.353 0.000 1.415 677 H CA -2.137 53.626 56.048 -0.476 0.000 1.514 677 H CB 0.456 29.839 29.762 -0.632 0.000 1.841 677 H HN -0.099 nan 8.280 nan 0.000 0.609 678 P HA -0.034 nan 4.420 nan 0.000 0.261 678 P C 0.415 177.566 177.300 -0.248 0.000 1.173 678 P CA 0.471 63.430 63.100 -0.235 0.000 0.760 678 P CB 0.655 32.269 31.700 -0.144 0.000 0.783 679 M N 0.949 120.469 119.600 -0.134 0.000 2.571 679 M HA 0.046 4.506 4.480 -0.034 0.000 0.259 679 M C 0.605 176.900 176.300 -0.008 0.000 1.205 679 M CA 0.085 55.367 55.300 -0.030 0.000 1.138 679 M CB -0.384 32.269 32.600 0.088 0.000 1.329 679 M HN 0.297 nan 8.290 nan 0.000 0.503 680 N N 0.482 119.126 118.700 -0.093 0.000 2.453 680 N HA 0.016 4.736 4.740 -0.034 0.000 0.253 680 N C -0.213 175.125 175.510 -0.287 0.000 1.252 680 N CA 0.440 53.423 53.050 -0.111 0.000 0.917 680 N CB 0.278 38.691 38.487 -0.122 0.000 1.117 680 N HN 0.181 nan 8.380 nan 0.000 0.442 681 H N -1.349 117.694 119.070 -0.044 0.000 6.070 681 H HA -0.063 4.473 4.556 -0.034 0.000 0.859 681 H C -0.367 174.837 175.328 -0.206 0.000 1.941 681 H CA -0.368 55.564 56.048 -0.194 0.000 1.375 681 H CB -1.715 27.967 29.762 -0.133 0.000 4.463 681 H HN 0.773 nan 8.280 nan 0.000 0.669 682 H N 0.000 119.120 119.070 0.083 0.000 2.539 682 H HA 0.000 4.536 4.556 -0.034 0.000 0.296 682 H CA 0.000 56.079 56.048 0.052 0.000 1.023 682 H CB 0.000 29.781 29.762 0.031 0.000 1.292 682 H HN 0.000 nan 8.280 nan 0.000 0.496