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 3en9_1_A DATA FIRST_RESID -2 DATA SEQUENCE MDPMICLGLE GTAEKTGVGI VTSDGEVLFN KTIMYKPPKQ GINPREAADH DATA SEQUENCE HAETFPKLIK EAFEVVDKNE IDLIAFSQGP GLGPSLRVTA TVARTLSLTL DATA SEQUENCE KKPIIGVNHC IAHIEIGKLT TEAEDPLTLY VSGGNTQVIA YVSKKYRVFG DATA SEQUENCE ETLDIAVGNC LDQFARYVNL PHPGGPYIEE LARKGKKLVD LPYTVKGMDI DATA SEQUENCE AFSGLLTAAM RAYDAGERLE DICYSLQEYA FSMLTEITER ALAHTNKGEV DATA SEQUENCE MLVGGVAANN RLREMLKAMC EGQNVDFYVP PKEFCGDNGA MIAWLGLLMH DATA SEQUENCE KNGRWMSLDE TKIIPNYRTD MVEVNWIXXX XXXXXXXXXX XXXXXAEADI DATA SEQUENCE KRDSYLDFDV IIKERVKKGY RDERLDENIR KSRTAREARY LALVKDFGIP DATA SEQUENCE APYIFDVDLD NKRIMMSYIN GKLAKDVIED NLDIAYKIGE IVGKLHKNDV DATA SEQUENCE IHNDLTTSNF IFDKDLYIID FGLGKISNLD EDKAVDLIVF KKAVLSTHHE DATA SEQUENCE KFDEIWERFL EGYKSVYDRW EIILELMKDV ERRARYV 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 -2 M HA 0.000 nan 4.480 nan 0.000 0.227 -2 M C 0.000 176.312 176.300 0.019 0.000 1.140 -2 M CA 0.000 55.309 55.300 0.014 0.000 0.988 -2 M CB 0.000 32.609 32.600 0.015 0.000 1.302 -1 D N 2.663 123.074 120.400 0.018 0.000 2.095 -1 D HA 0.025 4.665 4.640 -0.000 0.000 0.192 -1 D C -1.266 175.050 176.300 0.027 0.000 0.990 -1 D CA 1.721 55.734 54.000 0.021 0.000 0.836 -1 D CB -1.384 39.427 40.800 0.018 0.000 0.979 -1 D HN 0.337 nan 8.370 nan 0.000 0.447 0 P HA 0.094 nan 4.420 nan 0.000 0.275 0 P C -0.180 177.142 177.300 0.037 0.000 1.276 0 P CA 0.024 63.146 63.100 0.036 0.000 0.782 0 P CB 0.284 32.004 31.700 0.032 0.000 0.851 1 M N 4.778 124.404 119.600 0.043 0.000 2.217 1 M HA 0.198 4.678 4.480 -0.000 0.000 0.352 1 M C -0.198 176.127 176.300 0.042 0.000 1.376 1 M CA -0.439 54.885 55.300 0.040 0.000 1.107 1 M CB 0.065 32.692 32.600 0.046 0.000 1.723 1 M HN 0.271 nan 8.290 nan 0.000 0.461 2 I N 5.592 126.180 120.570 0.030 0.000 2.493 2 I HA 0.549 4.719 4.170 -0.000 0.000 0.298 2 I C -1.367 174.761 176.117 0.019 0.000 0.998 2 I CA -0.394 60.927 61.300 0.036 0.000 1.137 2 I CB 1.690 39.712 38.000 0.037 0.000 1.310 2 I HN 0.766 nan 8.210 nan 0.000 0.445 3 C N 7.540 126.857 119.300 0.029 0.000 2.498 3 C HA 0.689 5.149 4.460 -0.000 0.000 0.316 3 C C -0.767 174.245 174.990 0.037 0.000 1.209 3 C CA -0.877 58.143 59.018 0.004 0.000 1.518 3 C CB 0.817 28.539 27.740 -0.029 0.000 2.147 3 C HN 1.018 nan 8.230 nan 0.000 0.483 4 L N 5.928 127.171 121.223 0.034 0.000 2.272 4 L HA 0.765 5.105 4.340 -0.000 0.000 0.289 4 L C 0.335 177.233 176.870 0.048 0.000 1.032 4 L CA 0.239 55.117 54.840 0.063 0.000 0.810 4 L CB 0.972 43.078 42.059 0.078 0.000 1.205 4 L HN 0.939 nan 8.230 nan 0.000 0.422 5 G N 5.172 114.015 108.800 0.073 0.000 2.452 5 G HA2 0.593 4.553 3.960 -0.000 0.000 0.324 5 G HA3 0.593 4.553 3.960 -0.000 0.000 0.324 5 G C -1.467 173.502 174.900 0.115 0.000 1.214 5 G CA -0.590 44.553 45.100 0.072 0.000 0.947 5 G HN 0.333 nan 8.290 nan 0.000 0.478 6 L N 1.187 122.486 121.223 0.127 0.000 2.307 6 L HA 0.537 4.877 4.340 -0.000 0.000 0.284 6 L C -0.019 176.998 176.870 0.244 0.000 1.023 6 L CA -1.279 53.680 54.840 0.198 0.000 0.810 6 L CB 1.498 43.554 42.059 -0.005 0.000 1.231 6 L HN 0.668 nan 8.230 nan 0.000 0.423 7 E N 1.466 121.851 120.200 0.309 0.000 2.166 7 E HA 0.707 5.057 4.350 -0.000 0.000 0.275 7 E C 0.146 176.909 176.600 0.272 0.000 0.941 7 E CA -0.414 56.132 56.400 0.243 0.000 0.784 7 E CB 1.585 31.389 29.700 0.173 0.000 1.115 7 E HN 0.605 nan 8.360 nan 0.000 0.399 8 G N 2.576 111.469 108.800 0.156 0.000 5.569 8 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.192 8 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.192 8 G C 0.482 175.308 174.900 -0.125 0.000 0.708 8 G CA 0.091 45.122 45.100 -0.115 0.000 0.628 8 G HN 0.575 nan 8.290 nan 0.000 0.345 9 T N -3.340 111.196 114.554 -0.030 0.000 3.043 9 T HA 0.575 4.925 4.350 -0.000 0.000 0.263 9 T C 1.476 176.162 174.700 -0.024 0.000 1.094 9 T CA 1.585 63.643 62.100 -0.071 0.000 1.127 9 T CB 0.638 69.337 68.868 -0.282 0.000 0.905 9 T HN 0.782 nan 8.240 nan 0.000 0.490 10 A N 2.296 125.146 122.820 0.051 0.000 2.841 10 A HA 0.545 4.865 4.320 -0.000 0.000 0.188 10 A C 0.996 178.728 177.584 0.246 0.000 1.149 10 A CA 0.146 52.256 52.037 0.122 0.000 1.384 10 A CB -0.039 19.018 19.000 0.095 0.000 1.874 10 A HN 0.349 nan 8.150 nan 0.000 0.643 11 E N 0.150 120.477 120.200 0.213 0.000 2.498 11 E HA 0.259 4.609 4.350 -0.000 0.000 0.203 11 E C -0.392 176.309 176.600 0.167 0.000 1.013 11 E CA -0.075 56.437 56.400 0.185 0.000 0.927 11 E CB 0.293 30.113 29.700 0.199 0.000 1.012 11 E HN 0.251 nan 8.360 nan 0.000 0.482 12 K N 1.736 122.289 120.400 0.256 0.000 2.323 12 K HA 0.304 4.624 4.320 -0.000 0.000 0.259 12 K C -0.932 175.837 176.600 0.281 0.000 0.947 12 K CA -0.469 55.949 56.287 0.218 0.000 0.819 12 K CB 2.074 34.672 32.500 0.163 0.000 1.109 12 K HN -0.110 nan 8.250 nan 0.000 0.429 13 T N 1.371 116.054 114.554 0.215 0.000 2.728 13 T HA 0.378 4.728 4.350 -0.000 0.000 0.296 13 T C 0.112 174.785 174.700 -0.045 0.000 0.940 13 T CA -0.676 61.408 62.100 -0.027 0.000 1.013 13 T CB 1.197 69.943 68.868 -0.204 0.000 0.912 13 T HN 0.704 nan 8.240 nan 0.000 0.484 14 G N 1.662 110.465 108.800 0.005 0.000 2.643 14 G HA2 0.598 4.558 3.960 -0.000 0.000 0.305 14 G HA3 0.598 4.558 3.960 -0.000 0.000 0.305 14 G C -1.333 173.696 174.900 0.215 0.000 1.387 14 G CA -0.503 44.658 45.100 0.101 0.000 0.982 14 G HN 0.648 nan 8.290 nan 0.000 0.501 15 V N 1.100 121.148 119.914 0.222 0.000 2.540 15 V HA 0.893 5.013 4.120 -0.000 0.000 0.302 15 V C 0.489 176.776 176.094 0.321 0.000 1.035 15 V CA -0.297 62.181 62.300 0.296 0.000 0.873 15 V CB 1.780 33.803 31.823 0.333 0.000 0.992 15 V HN 1.071 nan 8.190 nan 0.000 0.428 16 G N 4.185 113.149 108.800 0.274 0.000 2.591 16 G HA2 0.793 4.753 3.960 -0.000 0.000 0.306 16 G HA3 0.793 4.753 3.960 -0.000 0.000 0.306 16 G C -1.421 173.629 174.900 0.251 0.000 1.334 16 G CA -0.528 44.735 45.100 0.272 0.000 0.981 16 G HN 0.576 nan 8.290 nan 0.000 0.491 17 I N 1.550 122.292 120.570 0.286 0.000 2.436 17 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 17 I C -0.627 175.578 176.117 0.147 0.000 1.010 17 I CA -0.890 60.526 61.300 0.193 0.000 1.098 17 I CB 2.187 40.303 38.000 0.194 0.000 1.266 17 I HN 0.114 nan 8.210 nan 0.000 0.434 18 V N 3.651 123.629 119.914 0.107 0.000 3.007 18 V HA 0.541 4.661 4.120 -0.000 0.000 0.311 18 V C -0.068 176.083 176.094 0.094 0.000 1.120 18 V CA -0.647 61.703 62.300 0.084 0.000 0.980 18 V CB 2.477 34.357 31.823 0.095 0.000 1.033 18 V HN 0.803 nan 8.190 nan 0.000 0.429 19 T N -1.217 113.385 114.554 0.080 0.000 2.925 19 T HA 0.329 4.679 4.350 -0.000 0.000 0.285 19 T C 1.187 175.990 174.700 0.172 0.000 1.021 19 T CA 0.174 62.329 62.100 0.092 0.000 1.042 19 T CB 1.612 70.511 68.868 0.053 0.000 1.037 19 T HN 0.919 nan 8.240 nan 0.000 0.481 20 S N 0.857 116.658 115.700 0.168 0.000 2.462 20 S HA -0.130 4.340 4.470 -0.000 0.000 0.243 20 S C 1.013 175.784 174.600 0.285 0.000 1.003 20 S CA 0.921 59.264 58.200 0.238 0.000 0.970 20 S CB -0.534 62.730 63.200 0.106 0.000 0.762 20 S HN 0.776 nan 8.310 nan 0.000 0.510 21 D N 1.289 121.776 120.400 0.144 0.000 2.349 21 D HA 0.244 4.884 4.640 -0.000 0.000 0.224 21 D C 1.460 177.734 176.300 -0.044 0.000 1.029 21 D CA 0.779 54.819 54.000 0.066 0.000 0.879 21 D CB -0.026 40.789 40.800 0.025 0.000 0.906 21 D HN 0.618 nan 8.370 nan 0.000 0.528 22 G N 1.654 110.375 108.800 -0.131 0.000 2.141 22 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.242 22 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.242 22 G C 0.214 174.880 174.900 -0.390 0.000 0.982 22 G CA 0.124 44.880 45.100 -0.574 0.000 0.662 22 G HN 0.417 nan 8.290 nan 0.000 0.527 23 E N 0.328 120.417 120.200 -0.185 0.000 2.259 23 E HA 0.485 4.835 4.350 -0.000 0.000 0.281 23 E C 0.061 176.608 176.600 -0.089 0.000 1.027 23 E CA -0.648 55.679 56.400 -0.121 0.000 0.838 23 E CB 1.052 30.722 29.700 -0.050 0.000 1.066 23 E HN 0.124 nan 8.360 nan 0.000 0.401 24 V N 7.457 127.326 119.914 -0.074 0.000 2.320 24 V HA 0.080 4.200 4.120 -0.000 0.000 0.265 24 V C 1.095 177.225 176.094 0.060 0.000 1.048 24 V CA -0.170 62.129 62.300 -0.002 0.000 0.865 24 V CB 0.711 32.555 31.823 0.035 0.000 1.043 24 V HN 0.827 nan 8.190 nan 0.000 0.474 25 L N 3.996 125.277 121.223 0.097 0.000 2.270 25 L HA 0.283 4.623 4.340 -0.000 0.000 0.210 25 L C 0.346 177.360 176.870 0.239 0.000 1.104 25 L CA 1.247 56.168 54.840 0.135 0.000 0.804 25 L CB 0.051 42.187 42.059 0.128 0.000 0.937 25 L HN 0.544 nan 8.230 nan 0.000 0.450 26 F N -0.153 119.828 119.950 0.052 0.000 2.650 26 F HA 0.440 4.967 4.527 -0.000 0.000 0.310 26 F C -1.313 174.528 175.800 0.068 0.000 1.112 26 F CA -1.037 56.995 58.000 0.053 0.000 0.986 26 F CB 1.480 40.511 39.000 0.052 0.000 1.285 26 F HN -0.233 nan 8.300 nan 0.000 0.440 27 N N 4.158 122.457 118.700 -0.669 0.000 3.049 27 N HA 0.249 4.989 4.740 -0.000 0.000 0.241 27 N C -2.185 173.015 175.510 -0.516 0.000 1.323 27 N CA -0.431 52.396 53.050 -0.371 0.000 0.824 27 N CB 0.916 39.368 38.487 -0.058 0.000 1.557 27 N HN 0.614 nan 8.380 nan 0.000 0.612 28 K N 1.016 121.128 120.400 -0.481 0.000 2.371 28 K HA 0.701 5.021 4.320 -0.000 0.000 0.251 28 K C -0.911 175.649 176.600 -0.066 0.000 0.934 28 K CA -0.760 55.367 56.287 -0.267 0.000 0.798 28 K CB 2.129 34.480 32.500 -0.248 0.000 1.204 28 K HN 0.548 nan 8.250 nan 0.000 0.427 29 T N -0.387 114.139 114.554 -0.045 0.000 2.912 29 T HA 0.673 5.023 4.350 -0.000 0.000 0.299 29 T C -0.477 174.235 174.700 0.021 0.000 1.052 29 T CA -0.770 61.334 62.100 0.007 0.000 0.996 29 T CB 0.825 69.703 68.868 0.017 0.000 1.070 29 T HN 0.407 nan 8.240 nan 0.000 0.465 30 I N 2.772 123.377 120.570 0.058 0.000 2.545 30 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 30 I C -0.179 176.037 176.117 0.164 0.000 1.040 30 I CA -1.067 60.292 61.300 0.099 0.000 1.068 30 I CB 2.358 40.425 38.000 0.111 0.000 1.251 30 I HN 0.615 nan 8.210 nan 0.000 0.424 31 M N 5.000 124.643 119.600 0.072 0.000 2.314 31 M HA 0.354 4.834 4.480 -0.000 0.000 0.342 31 M C -0.978 175.110 176.300 -0.353 0.000 1.171 31 M CA -0.598 54.677 55.300 -0.042 0.000 1.098 31 M CB 1.263 33.860 32.600 -0.004 0.000 1.559 31 M HN 0.550 nan 8.290 nan 0.000 0.459 32 Y N 4.012 123.832 120.300 -0.800 0.000 2.620 32 Y HA 0.117 4.667 4.550 0.000 0.000 0.330 32 Y C -0.937 174.746 175.900 -0.362 0.000 1.186 32 Y CA 0.351 57.887 58.100 -0.940 0.000 1.467 32 Y CB 0.273 38.360 38.460 -0.622 0.000 1.262 32 Y HN 0.468 nan 8.280 nan 0.000 0.550 33 K N 8.519 128.599 120.400 -0.533 0.000 2.414 33 K HA 0.344 4.664 4.320 -0.000 0.000 0.251 33 K C -2.658 173.506 176.600 -0.727 0.000 1.037 33 K CA -1.802 54.206 56.287 -0.466 0.000 0.980 33 K CB 0.854 33.246 32.500 -0.181 0.000 1.280 33 K HN 0.438 nan 8.250 nan 0.000 0.451 34 P HA 0.112 nan 4.420 nan 0.000 0.268 34 P C -2.404 174.655 177.300 -0.402 0.000 1.204 34 P CA -0.916 61.658 63.100 -0.877 0.000 0.768 34 P CB 0.030 31.280 31.700 -0.749 0.000 0.842 35 P HA 0.203 nan 4.420 nan 0.000 0.278 35 P C -0.686 176.555 177.300 -0.097 0.000 1.258 35 P CA -0.827 62.203 63.100 -0.116 0.000 0.811 35 P CB 0.444 32.116 31.700 -0.046 0.000 1.063 36 K N 0.847 121.205 120.400 -0.071 0.000 2.543 36 K HA -0.105 4.215 4.320 -0.000 0.000 0.279 36 K C 0.088 176.662 176.600 -0.043 0.000 1.001 36 K CA 0.388 56.641 56.287 -0.057 0.000 1.088 36 K CB -0.266 32.208 32.500 -0.043 0.000 0.863 36 K HN 0.331 nan 8.250 nan 0.000 0.488 37 Q N 1.476 121.251 119.800 -0.042 0.000 2.452 37 Q HA 0.011 4.351 4.340 -0.000 0.000 0.214 37 Q C 1.064 177.055 176.000 -0.016 0.000 0.966 37 Q CA 0.518 56.305 55.803 -0.027 0.000 0.964 37 Q CB 0.306 29.029 28.738 -0.025 0.000 0.992 37 Q HN 0.813 nan 8.270 nan 0.000 0.517 38 G N 0.764 109.554 108.800 -0.017 0.000 3.022 38 G HA2 0.356 4.316 3.960 -0.000 0.000 0.157 38 G HA3 0.356 4.316 3.960 -0.000 0.000 0.157 38 G C 0.201 175.097 174.900 -0.008 0.000 1.691 38 G CA -0.381 44.711 45.100 -0.012 0.000 1.079 38 G HN 0.351 nan 8.290 nan 0.000 0.549 39 I N -2.931 117.635 120.570 -0.007 0.000 2.970 39 I HA 0.547 4.717 4.170 -0.000 0.000 0.310 39 I C 0.354 176.469 176.117 -0.003 0.000 1.010 39 I CA -0.958 60.339 61.300 -0.005 0.000 1.228 39 I CB 0.714 38.711 38.000 -0.005 0.000 1.433 39 I HN 0.418 nan 8.210 nan 0.000 0.573 40 N N 1.109 119.808 118.700 -0.000 0.000 2.725 40 N HA -0.099 4.641 4.740 -0.000 0.000 0.256 40 N C -2.500 173.014 175.510 0.007 0.000 1.087 40 N CA 0.521 53.572 53.050 0.003 0.000 0.690 40 N CB -1.138 37.349 38.487 0.000 0.000 0.891 40 N HN 0.833 nan 8.380 nan 0.000 0.553 41 P HA 0.499 nan 4.420 nan 0.000 0.281 41 P C -0.262 177.058 177.300 0.034 0.000 1.264 41 P CA -0.307 62.805 63.100 0.019 0.000 0.824 41 P CB 1.148 32.856 31.700 0.013 0.000 1.092 42 R N 0.102 120.639 120.500 0.063 0.000 2.855 42 R HA 0.580 4.920 4.340 -0.000 0.000 0.266 42 R C -0.501 175.856 176.300 0.095 0.000 1.034 42 R CA -0.726 55.425 56.100 0.085 0.000 0.944 42 R CB 1.776 32.162 30.300 0.144 0.000 1.219 42 R HN 0.650 nan 8.270 nan 0.000 0.474 43 E N -0.705 119.496 120.200 0.003 0.000 2.393 43 E HA 0.519 4.869 4.350 -0.000 0.000 0.273 43 E C 0.093 176.381 176.600 -0.520 0.000 0.918 43 E CA -0.398 55.927 56.400 -0.126 0.000 0.773 43 E CB 1.926 31.585 29.700 -0.068 0.000 1.275 43 E HN 0.532 nan 8.360 nan 0.000 0.451 44 A N 2.533 124.857 122.820 -0.827 0.000 1.948 44 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 44 A C 2.128 179.415 177.584 -0.495 0.000 1.177 44 A CA 2.339 53.703 52.037 -1.123 0.000 0.636 44 A CB -1.195 17.424 19.000 -0.635 0.000 0.815 44 A HN 0.728 nan 8.150 nan 0.000 0.449 45 A N 0.324 123.075 122.820 -0.115 0.000 1.903 45 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 45 A C 1.799 179.389 177.584 0.009 0.000 1.191 45 A CA 2.099 54.183 52.037 0.080 0.000 0.638 45 A CB -0.790 18.244 19.000 0.058 0.000 0.823 45 A HN 0.573 nan 8.150 nan 0.000 0.451 46 D N -1.710 118.649 120.400 -0.067 0.000 2.123 46 D HA -0.190 4.449 4.640 -0.000 0.000 0.196 46 D C 1.729 178.002 176.300 -0.044 0.000 0.992 46 D CA 1.921 55.902 54.000 -0.032 0.000 0.833 46 D CB -0.499 40.292 40.800 -0.014 0.000 0.954 46 D HN 0.816 nan 8.370 nan 0.000 0.455 47 H N 0.613 119.545 119.070 -0.229 0.000 2.353 47 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 47 H C 2.045 177.236 175.328 -0.228 0.000 1.090 47 H CA 1.789 57.703 56.048 -0.224 0.000 1.327 47 H CB -0.014 29.569 29.762 -0.299 0.000 1.383 47 H HN 0.184 nan 8.280 nan 0.000 0.508 48 H N -0.398 118.611 119.070 -0.102 0.000 2.387 48 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 48 H C 2.367 177.679 175.328 -0.027 0.000 1.090 48 H CA 1.231 57.186 56.048 -0.155 0.000 1.332 48 H CB -0.667 29.120 29.762 0.042 0.000 1.386 48 H HN 0.593 nan 8.280 nan 0.000 0.516 49 A N 1.464 124.358 122.820 0.124 0.000 1.902 49 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 49 A C 2.256 179.860 177.584 0.033 0.000 1.181 49 A CA 1.336 53.439 52.037 0.110 0.000 0.623 49 A CB -0.076 18.964 19.000 0.067 0.000 0.818 49 A HN 0.283 nan 8.150 nan 0.000 0.443 50 E N -0.597 119.569 120.200 -0.056 0.000 2.208 50 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 50 E C 1.756 178.283 176.600 -0.122 0.000 0.988 50 E CA 1.555 57.907 56.400 -0.081 0.000 0.828 50 E CB -0.366 29.278 29.700 -0.093 0.000 0.763 50 E HN 0.600 nan 8.360 nan 0.000 0.478 51 T N 0.351 114.765 114.554 -0.232 0.000 3.021 51 T HA 0.048 4.398 4.350 -0.000 0.000 0.245 51 T C 1.525 176.152 174.700 -0.123 0.000 1.028 51 T CA -0.091 61.846 62.100 -0.271 0.000 1.139 51 T CB -0.217 68.304 68.868 -0.578 0.000 0.884 51 T HN -0.024 nan 8.240 nan 0.000 0.457 52 F N 2.066 121.985 119.950 -0.052 0.000 2.087 52 F HA -0.052 4.475 4.527 0.000 0.000 0.299 52 F C -0.731 175.031 175.800 -0.064 0.000 1.100 52 F CA 1.032 59.014 58.000 -0.031 0.000 1.226 52 F CB -1.545 37.442 39.000 -0.022 0.000 0.983 52 F HN 0.219 nan 8.300 nan 0.000 0.479 53 P HA -0.086 nan 4.420 nan 0.000 0.225 53 P C 1.114 178.410 177.300 -0.006 0.000 1.156 53 P CA 1.441 64.560 63.100 0.031 0.000 0.787 53 P CB -0.050 31.662 31.700 0.020 0.000 0.802 54 K N -0.247 120.153 120.400 -0.000 0.000 2.057 54 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 54 K C 1.993 178.593 176.600 0.000 0.000 1.049 54 K CA 1.082 57.365 56.287 -0.007 0.000 0.931 54 K CB -0.675 31.819 32.500 -0.010 0.000 0.714 54 K HN 0.163 nan 8.250 nan 0.000 0.440 55 L N 0.699 121.934 121.223 0.021 0.000 2.141 55 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 55 L C 2.267 179.120 176.870 -0.029 0.000 1.094 55 L CA 0.917 55.798 54.840 0.068 0.000 0.763 55 L CB -0.226 41.901 42.059 0.113 0.000 0.908 55 L HN 0.186 nan 8.230 nan 0.000 0.437 56 I N -0.338 120.154 120.570 -0.130 0.000 2.500 56 I HA -0.251 3.919 4.170 -0.000 0.000 0.252 56 I C 2.613 178.384 176.117 -0.577 0.000 1.142 56 I CA 0.858 61.902 61.300 -0.427 0.000 1.451 56 I CB -0.132 37.617 38.000 -0.418 0.000 1.093 56 I HN 0.220 nan 8.210 nan 0.000 0.430 57 K N 1.424 121.661 120.400 -0.272 0.000 2.009 57 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 57 K C 1.923 178.450 176.600 -0.122 0.000 1.049 57 K CA 1.735 57.937 56.287 -0.141 0.000 0.929 57 K CB -0.032 32.441 32.500 -0.045 0.000 0.714 57 K HN 0.287 nan 8.250 nan 0.000 0.440 58 E N -0.070 120.070 120.200 -0.099 0.000 2.085 58 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 58 E C 2.015 178.435 176.600 -0.301 0.000 0.994 58 E CA 1.143 57.514 56.400 -0.048 0.000 0.801 58 E CB -0.183 29.606 29.700 0.149 0.000 0.743 58 E HN 0.470 nan 8.360 nan 0.000 0.453 59 A N 1.013 123.415 122.820 -0.696 0.000 1.908 59 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 59 A C 1.799 179.155 177.584 -0.380 0.000 1.181 59 A CA 1.221 52.545 52.037 -1.188 0.000 0.627 59 A CB -0.538 17.829 19.000 -1.055 0.000 0.818 59 A HN 0.166 nan 8.150 nan 0.000 0.445 60 F N 0.207 119.985 119.950 -0.287 0.000 2.558 60 F HA 0.074 4.601 4.527 -0.000 0.000 0.298 60 F C 2.130 177.859 175.800 -0.119 0.000 1.119 60 F CA 0.521 58.421 58.000 -0.167 0.000 1.451 60 F CB -0.671 38.263 39.000 -0.111 0.000 1.091 60 F HN 0.391 nan 8.300 nan 0.000 0.563 61 E N -0.587 119.649 120.200 0.060 0.000 2.285 61 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 61 E C 2.224 178.841 176.600 0.028 0.000 0.997 61 E CA 0.572 56.995 56.400 0.038 0.000 0.845 61 E CB 0.117 29.837 29.700 0.032 0.000 0.782 61 E HN 0.156 nan 8.360 nan 0.000 0.491 62 V N 0.612 120.525 119.914 -0.003 0.000 2.575 62 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 62 V C 0.819 176.934 176.094 0.034 0.000 1.045 62 V CA 0.666 62.990 62.300 0.040 0.000 1.065 62 V CB 0.999 32.892 31.823 0.117 0.000 0.717 62 V HN 0.120 nan 8.190 nan 0.000 0.467 63 V N -1.741 118.183 119.914 0.015 0.000 2.914 63 V HA 0.605 4.725 4.120 -0.000 0.000 0.314 63 V C -0.880 175.209 176.094 -0.007 0.000 1.084 63 V CA -0.958 61.354 62.300 0.020 0.000 0.963 63 V CB 1.936 33.779 31.823 0.033 0.000 1.025 63 V HN 0.217 nan 8.190 nan 0.000 0.432 64 D N 2.918 123.292 120.400 -0.043 0.000 2.401 64 D HA 0.156 4.796 4.640 -0.000 0.000 0.254 64 D C 1.086 177.270 176.300 -0.193 0.000 1.192 64 D CA 0.019 53.953 54.000 -0.110 0.000 0.885 64 D CB 1.870 42.623 40.800 -0.080 0.000 1.147 64 D HN 0.783 nan 8.370 nan 0.000 0.478 65 K N 2.848 122.996 120.400 -0.419 0.000 2.211 65 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 65 K C 1.122 177.534 176.600 -0.315 0.000 1.047 65 K CA 1.018 56.934 56.287 -0.619 0.000 0.935 65 K CB -0.181 31.481 32.500 -1.397 0.000 0.728 65 K HN 0.203 nan 8.250 nan 0.000 0.452 66 N N 0.953 119.516 118.700 -0.228 0.000 2.459 66 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 66 N C 1.042 176.498 175.510 -0.090 0.000 1.046 66 N CA 0.730 53.697 53.050 -0.138 0.000 0.904 66 N CB 0.061 38.482 38.487 -0.110 0.000 0.964 66 N HN 0.333 nan 8.380 nan 0.000 0.444 67 E N 0.462 120.610 120.200 -0.086 0.000 2.371 67 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 67 E C 0.705 177.286 176.600 -0.032 0.000 1.012 67 E CA -0.092 56.280 56.400 -0.047 0.000 0.860 67 E CB 0.053 29.732 29.700 -0.034 0.000 0.811 67 E HN 0.441 nan 8.360 nan 0.000 0.502 68 I N -0.354 120.191 120.570 -0.043 0.000 2.529 68 I HA 0.077 4.247 4.170 -0.000 0.000 0.284 68 I C 0.452 176.552 176.117 -0.028 0.000 1.082 68 I CA 0.344 61.634 61.300 -0.017 0.000 1.406 68 I CB 0.894 38.902 38.000 0.014 0.000 1.405 68 I HN -0.297 nan 8.210 nan 0.000 0.548 69 D N 5.037 125.421 120.400 -0.027 0.000 2.454 69 D HA 0.216 4.856 4.640 -0.000 0.000 0.214 69 D C -0.320 175.924 176.300 -0.093 0.000 1.088 69 D CA 0.539 54.517 54.000 -0.036 0.000 0.855 69 D CB 0.933 41.728 40.800 -0.009 0.000 1.025 69 D HN 0.449 nan 8.370 nan 0.000 0.502 70 L N 1.139 122.293 121.223 -0.115 0.000 2.472 70 L HA 0.413 4.753 4.340 -0.000 0.000 0.260 70 L C -1.831 174.961 176.870 -0.130 0.000 0.963 70 L CA -0.817 53.897 54.840 -0.211 0.000 0.829 70 L CB 2.894 44.753 42.059 -0.333 0.000 1.348 70 L HN -0.217 nan 8.230 nan 0.000 0.408 71 I N 3.578 124.071 120.570 -0.128 0.000 2.433 71 I HA 0.884 5.054 4.170 -0.000 0.000 0.292 71 I C -1.208 174.888 176.117 -0.034 0.000 1.001 71 I CA -0.225 61.040 61.300 -0.058 0.000 1.119 71 I CB 1.460 39.440 38.000 -0.034 0.000 1.289 71 I HN 0.837 nan 8.210 nan 0.000 0.438 72 A N 7.010 129.835 122.820 0.008 0.000 2.380 72 A HA 0.927 5.247 4.320 -0.000 0.000 0.315 72 A C -1.274 176.410 177.584 0.166 0.000 1.101 72 A CA -0.486 51.576 52.037 0.042 0.000 0.771 72 A CB 1.420 20.381 19.000 -0.065 0.000 1.287 72 A HN 0.822 nan 8.150 nan 0.000 0.436 73 F N -0.421 119.490 119.950 -0.065 0.000 2.645 73 F HA 0.686 5.213 4.527 -0.000 0.000 0.310 73 F C -0.024 175.774 175.800 -0.003 0.000 1.102 73 F CA -0.812 57.161 58.000 -0.044 0.000 0.952 73 F CB 1.133 40.084 39.000 -0.082 0.000 1.326 73 F HN 0.550 nan 8.300 nan 0.000 0.456 74 S N 1.119 116.799 115.700 -0.033 0.000 2.429 74 S HA 0.134 4.604 4.470 -0.000 0.000 0.292 74 S C 0.444 174.961 174.600 -0.138 0.000 1.183 74 S CA -0.296 57.863 58.200 -0.068 0.000 1.088 74 S CB 1.076 64.348 63.200 0.120 0.000 1.018 74 S HN 0.915 nan 8.310 nan 0.000 0.511 75 Q N 2.816 122.440 119.800 -0.294 0.000 2.389 75 Q HA 0.317 4.657 4.340 -0.000 0.000 0.204 75 Q C 0.804 176.844 176.000 0.066 0.000 0.944 75 Q CA 0.641 56.325 55.803 -0.198 0.000 0.908 75 Q CB 0.069 28.659 28.738 -0.246 0.000 1.002 75 Q HN 1.077 nan 8.270 nan 0.000 0.493 76 G N -0.077 108.829 108.800 0.176 0.000 2.352 76 G HA2 0.050 4.010 3.960 -0.000 0.000 0.302 76 G HA3 0.050 4.010 3.960 -0.000 0.000 0.302 76 G C -3.207 171.857 174.900 0.273 0.000 1.370 76 G CA -0.908 44.328 45.100 0.228 0.000 0.918 76 G HN -0.105 nan 8.290 nan 0.000 0.610 77 P HA 0.644 nan 4.420 nan 0.000 0.289 77 P C 0.620 177.951 177.300 0.051 0.000 1.299 77 P CA 0.883 64.073 63.100 0.150 0.000 0.766 77 P CB 1.613 33.392 31.700 0.133 0.000 1.226 78 G N -1.616 107.207 108.800 0.039 0.000 2.357 78 G HA2 0.145 4.105 3.960 -0.000 0.000 0.289 78 G HA3 0.145 4.105 3.960 -0.000 0.000 0.289 78 G C -1.738 173.188 174.900 0.042 0.000 1.302 78 G CA -0.880 44.226 45.100 0.010 0.000 0.936 78 G HN 0.436 nan 8.290 nan 0.000 0.513 79 L N 2.214 123.467 121.223 0.050 0.000 2.513 79 L HA 0.401 4.741 4.340 -0.000 0.000 0.272 79 L C 2.097 179.010 176.870 0.071 0.000 1.187 79 L CA 1.325 56.210 54.840 0.075 0.000 0.895 79 L CB 0.424 42.532 42.059 0.081 0.000 1.147 79 L HN 1.068 nan 8.230 nan 0.000 0.483 80 G N 5.183 114.031 108.800 0.080 0.000 2.459 80 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 80 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 80 G C -0.826 174.110 174.900 0.060 0.000 1.183 80 G CA 0.564 45.706 45.100 0.069 0.000 0.776 80 G HN 0.624 nan 8.290 nan 0.000 0.552 81 P HA 0.024 nan 4.420 nan 0.000 0.222 81 P C 2.068 179.411 177.300 0.073 0.000 1.147 81 P CA 1.260 64.391 63.100 0.051 0.000 0.790 81 P CB 0.092 31.814 31.700 0.037 0.000 0.780 82 S N -0.914 114.838 115.700 0.088 0.000 2.377 82 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 82 S C 1.671 176.294 174.600 0.039 0.000 1.030 82 S CA 0.665 58.928 58.200 0.105 0.000 0.970 82 S CB -0.864 62.409 63.200 0.123 0.000 0.830 82 S HN 0.027 nan 8.310 nan 0.000 0.473 83 L N 2.268 123.522 121.223 0.052 0.000 2.043 83 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 83 L C 2.327 179.238 176.870 0.069 0.000 1.075 83 L CA 1.687 56.573 54.840 0.077 0.000 0.752 83 L CB -0.927 41.182 42.059 0.084 0.000 0.891 83 L HN 0.262 nan 8.230 nan 0.000 0.432 84 R N -1.583 118.943 120.500 0.044 0.000 2.073 84 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 84 R C 2.147 178.439 176.300 -0.015 0.000 1.120 84 R CA 1.137 57.244 56.100 0.012 0.000 0.967 84 R CB -0.566 29.742 30.300 0.014 0.000 0.862 84 R HN 0.216 nan 8.270 nan 0.000 0.436 85 V N 0.887 120.816 119.914 0.025 0.000 2.295 85 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 85 V C 2.218 178.284 176.094 -0.046 0.000 1.049 85 V CA 2.243 64.564 62.300 0.034 0.000 1.024 85 V CB -0.713 31.199 31.823 0.148 0.000 0.648 85 V HN 0.368 nan 8.190 nan 0.000 0.447 86 T N 0.639 115.187 114.554 -0.010 0.000 2.635 86 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 86 T C 2.066 176.575 174.700 -0.317 0.000 1.040 86 T CA 1.995 64.002 62.100 -0.156 0.000 1.156 86 T CB -0.532 68.381 68.868 0.074 0.000 0.863 86 T HN 0.590 nan 8.240 nan 0.000 0.430 87 A N 0.572 123.234 122.820 -0.265 0.000 1.902 87 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 87 A C 2.532 179.817 177.584 -0.498 0.000 1.181 87 A CA 2.310 53.980 52.037 -0.613 0.000 0.623 87 A CB -1.298 17.509 19.000 -0.322 0.000 0.818 87 A HN 0.478 nan 8.150 nan 0.000 0.443 88 T N -1.155 113.228 114.554 -0.286 0.000 2.867 88 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 88 T C 1.733 176.288 174.700 -0.241 0.000 1.057 88 T CA 1.606 63.576 62.100 -0.216 0.000 1.136 88 T CB -0.306 68.487 68.868 -0.125 0.000 0.874 88 T HN 0.108 nan 8.240 nan 0.000 0.466 89 V N 1.271 121.002 119.914 -0.305 0.000 2.407 89 V HA 0.036 4.156 4.120 -0.000 0.000 0.245 89 V C 2.900 178.789 176.094 -0.341 0.000 1.041 89 V CA 1.527 63.632 62.300 -0.325 0.000 1.040 89 V CB -1.028 30.496 31.823 -0.498 0.000 0.671 89 V HN 0.544 nan 8.190 nan 0.000 0.455 90 A N 0.082 122.638 122.820 -0.441 0.000 1.933 90 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 90 A C 2.350 179.743 177.584 -0.318 0.000 1.175 90 A CA 1.722 53.523 52.037 -0.394 0.000 0.628 90 A CB -0.432 18.224 19.000 -0.574 0.000 0.814 90 A HN 0.519 nan 8.150 nan 0.000 0.444 91 R N -1.177 119.117 120.500 -0.344 0.000 2.090 91 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 91 R C 2.174 178.387 176.300 -0.146 0.000 1.110 91 R CA 1.609 57.572 56.100 -0.228 0.000 0.973 91 R CB -0.671 29.500 30.300 -0.214 0.000 0.869 91 R HN 0.463 nan 8.270 nan 0.000 0.440 92 T N 1.636 116.103 114.554 -0.143 0.000 2.833 92 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 92 T C 1.815 176.474 174.700 -0.069 0.000 1.054 92 T CA 0.993 63.037 62.100 -0.093 0.000 1.135 92 T CB -0.066 68.749 68.868 -0.088 0.000 0.869 92 T HN 0.121 nan 8.240 nan 0.000 0.466 93 L N 0.600 121.775 121.223 -0.081 0.000 2.044 93 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 93 L C 2.860 179.710 176.870 -0.034 0.000 1.075 93 L CA 1.143 55.962 54.840 -0.034 0.000 0.747 93 L CB -0.573 41.465 42.059 -0.034 0.000 0.903 93 L HN 0.276 nan 8.230 nan 0.000 0.435 94 S N 0.139 115.803 115.700 -0.060 0.000 2.382 94 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 94 S C 1.983 176.562 174.600 -0.034 0.000 1.027 94 S CA 1.206 59.376 58.200 -0.050 0.000 0.991 94 S CB -0.187 62.976 63.200 -0.062 0.000 0.823 94 S HN 0.321 nan 8.310 nan 0.000 0.469 95 L N 0.907 122.108 121.223 -0.038 0.000 2.179 95 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 95 L C 2.920 179.778 176.870 -0.020 0.000 1.096 95 L CA 1.540 56.364 54.840 -0.026 0.000 0.779 95 L CB -0.568 41.472 42.059 -0.031 0.000 0.922 95 L HN 0.572 nan 8.230 nan 0.000 0.443 96 T N -3.553 110.988 114.554 -0.021 0.000 3.044 96 T HA 0.052 4.402 4.350 -0.000 0.000 0.255 96 T C 1.709 176.395 174.700 -0.023 0.000 1.073 96 T CA 0.177 62.267 62.100 -0.018 0.000 1.125 96 T CB -0.106 68.755 68.868 -0.011 0.000 0.908 96 T HN 0.165 nan 8.240 nan 0.000 0.480 97 L N 0.099 121.308 121.223 -0.024 0.000 2.418 97 L HA 0.312 4.652 4.340 -0.000 0.000 0.218 97 L C 1.151 178.005 176.870 -0.027 0.000 1.125 97 L CA 0.286 55.104 54.840 -0.036 0.000 0.835 97 L CB -0.458 41.580 42.059 -0.035 0.000 0.953 97 L HN 0.309 nan 8.230 nan 0.000 0.454 98 K N 1.124 121.513 120.400 -0.018 0.000 3.244 98 K HA -0.151 4.169 4.320 -0.000 0.000 0.270 98 K C -0.768 175.833 176.600 0.001 0.000 1.016 98 K CA 0.532 56.816 56.287 -0.005 0.000 0.754 98 K CB -0.462 32.037 32.500 -0.002 0.000 1.326 98 K HN 0.092 nan 8.250 nan 0.000 0.465 99 K N -0.394 119.999 120.400 -0.012 0.000 2.444 99 K HA 0.518 4.838 4.320 -0.000 0.000 0.252 99 K C -2.707 173.865 176.600 -0.047 0.000 0.993 99 K CA -2.113 54.160 56.287 -0.024 0.000 0.847 99 K CB 1.529 34.001 32.500 -0.047 0.000 1.340 99 K HN -0.144 nan 8.250 nan 0.000 0.446 100 P HA 0.338 nan 4.420 nan 0.000 0.274 100 P C -0.573 176.596 177.300 -0.217 0.000 1.246 100 P CA -0.449 62.547 63.100 -0.172 0.000 0.795 100 P CB 0.660 32.116 31.700 -0.406 0.000 1.006 101 I N 0.738 121.203 120.570 -0.176 0.000 2.647 101 I HA 0.600 4.770 4.170 -0.000 0.000 0.295 101 I C -1.463 174.605 176.117 -0.083 0.000 1.078 101 I CA -1.200 60.043 61.300 -0.095 0.000 1.048 101 I CB 1.464 39.456 38.000 -0.014 0.000 1.239 101 I HN 0.216 nan 8.210 nan 0.000 0.421 102 I N 6.245 126.789 120.570 -0.043 0.000 2.499 102 I HA 0.585 4.755 4.170 -0.000 0.000 0.288 102 I C -0.121 175.951 176.117 -0.075 0.000 1.048 102 I CA -0.425 60.842 61.300 -0.056 0.000 1.062 102 I CB 1.659 39.566 38.000 -0.154 0.000 1.238 102 I HN 0.703 nan 8.210 nan 0.000 0.426 103 G N 6.540 115.259 108.800 -0.134 0.000 2.353 103 G HA2 0.542 4.502 3.960 -0.000 0.000 0.284 103 G HA3 0.542 4.502 3.960 -0.000 0.000 0.284 103 G C -1.107 173.622 174.900 -0.285 0.000 1.172 103 G CA -0.238 44.547 45.100 -0.524 0.000 0.854 103 G HN 0.419 nan 8.290 nan 0.000 0.485 104 V N 2.887 122.596 119.914 -0.342 0.000 2.735 104 V HA 0.312 4.432 4.120 -0.000 0.000 0.310 104 V C -0.211 175.828 176.094 -0.092 0.000 1.061 104 V CA -1.303 60.888 62.300 -0.183 0.000 0.913 104 V CB 2.122 33.803 31.823 -0.237 0.000 1.005 104 V HN 0.813 nan 8.190 nan 0.000 0.428 105 N N 2.136 120.742 118.700 -0.158 0.000 2.405 105 N HA 0.034 4.774 4.740 -0.000 0.000 0.260 105 N C 1.030 176.450 175.510 -0.151 0.000 1.152 105 N CA 0.244 53.128 53.050 -0.277 0.000 0.948 105 N CB 0.658 38.783 38.487 -0.603 0.000 1.111 105 N HN 0.894 nan 8.380 nan 0.000 0.485 106 H N 3.514 122.510 119.070 -0.124 0.000 2.353 106 H HA -0.148 4.408 4.556 -0.000 0.000 0.298 106 H C 1.625 176.888 175.328 -0.108 0.000 1.103 106 H CA 2.453 58.442 56.048 -0.098 0.000 1.293 106 H CB 0.100 29.870 29.762 0.014 0.000 1.372 106 H HN 0.649 nan 8.280 nan 0.000 0.501 107 C N 0.704 120.025 119.300 0.034 0.000 2.432 107 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 107 C C 2.774 177.625 174.990 -0.233 0.000 1.249 107 C CA 1.043 60.042 59.018 -0.033 0.000 1.725 107 C CB -1.008 26.802 27.740 0.117 0.000 2.028 107 C HN 0.833 nan 8.230 nan 0.000 0.477 108 I N 0.022 120.433 120.570 -0.266 0.000 3.564 108 I HA 0.141 4.311 4.170 -0.000 0.000 0.294 108 I C 2.050 177.959 176.117 -0.346 0.000 1.289 108 I CA 1.173 62.238 61.300 -0.392 0.000 1.325 108 I CB -0.385 37.358 38.000 -0.427 0.000 1.039 108 I HN 0.157 nan 8.210 nan 0.000 0.474 109 A N 0.908 123.527 122.820 -0.335 0.000 1.930 109 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 109 A C 2.160 179.541 177.584 -0.339 0.000 1.176 109 A CA 0.879 52.712 52.037 -0.339 0.000 0.632 109 A CB -0.944 17.841 19.000 -0.358 0.000 0.819 109 A HN 0.535 nan 8.150 nan 0.000 0.445 110 H N -0.133 118.666 119.070 -0.451 0.000 2.353 110 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 110 H C 2.058 177.208 175.328 -0.297 0.000 1.103 110 H CA 1.945 57.728 56.048 -0.442 0.000 1.293 110 H CB -0.098 29.222 29.762 -0.737 0.000 1.372 110 H HN 0.546 nan 8.280 nan 0.000 0.501 111 I N 0.569 121.041 120.570 -0.164 0.000 2.584 111 I HA -0.098 4.072 4.170 -0.000 0.000 0.255 111 I C 1.713 177.791 176.117 -0.065 0.000 1.145 111 I CA 1.169 62.399 61.300 -0.116 0.000 1.462 111 I CB -0.236 37.685 38.000 -0.133 0.000 1.102 111 I HN -0.034 nan 8.210 nan 0.000 0.433 112 E N 1.918 122.068 120.200 -0.084 0.000 2.085 112 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 112 E C 2.181 178.831 176.600 0.083 0.000 0.994 112 E CA 2.041 58.457 56.400 0.026 0.000 0.801 112 E CB -0.474 29.181 29.700 -0.075 0.000 0.743 112 E HN 0.825 nan 8.360 nan 0.000 0.453 113 I N -2.127 118.438 120.570 -0.009 0.000 2.830 113 I HA 0.070 4.240 4.170 -0.000 0.000 0.263 113 I C 2.196 178.214 176.117 -0.165 0.000 1.230 113 I CA 1.029 62.236 61.300 -0.154 0.000 1.480 113 I CB -0.619 37.231 38.000 -0.250 0.000 1.095 113 I HN -0.106 nan 8.210 nan 0.000 0.455 114 G N 1.880 110.630 108.800 -0.083 0.000 2.446 114 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 114 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 114 G C 1.742 176.579 174.900 -0.105 0.000 1.168 114 G CA 0.776 45.832 45.100 -0.074 0.000 0.771 114 G HN 0.396 nan 8.290 nan 0.000 0.551 115 K N -0.344 120.018 120.400 -0.063 0.000 2.155 115 K HA 0.229 4.549 4.320 -0.000 0.000 0.203 115 K C 2.258 178.794 176.600 -0.106 0.000 1.052 115 K CA 0.249 56.500 56.287 -0.060 0.000 0.948 115 K CB -0.186 32.340 32.500 0.042 0.000 0.728 115 K HN 0.206 nan 8.250 nan 0.000 0.448 116 L N 0.367 121.502 121.223 -0.146 0.000 2.240 116 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 116 L C 1.334 177.996 176.870 -0.346 0.000 1.106 116 L CA 1.577 56.230 54.840 -0.311 0.000 0.793 116 L CB 0.035 41.705 42.059 -0.649 0.000 0.927 116 L HN 0.138 nan 8.230 nan 0.000 0.446 117 T N -1.234 113.147 114.554 -0.289 0.000 3.040 117 T HA 0.128 4.478 4.350 -0.000 0.000 0.266 117 T C 0.324 174.933 174.700 -0.151 0.000 1.005 117 T CA 0.086 62.035 62.100 -0.252 0.000 0.906 117 T CB 0.306 69.001 68.868 -0.288 0.000 1.082 117 T HN 0.191 nan 8.240 nan 0.000 0.531 118 T N 0.276 114.718 114.554 -0.188 0.000 2.865 118 T HA 0.320 4.670 4.350 -0.000 0.000 0.294 118 T C -0.198 174.297 174.700 -0.342 0.000 1.119 118 T CA -0.539 61.425 62.100 -0.226 0.000 1.007 118 T CB 2.063 70.795 68.868 -0.227 0.000 1.225 118 T HN -0.112 nan 8.240 nan 0.000 0.515 119 E N 0.590 120.478 120.200 -0.521 0.000 2.403 119 E HA 0.268 4.618 4.350 -0.000 0.000 0.187 119 E C 0.273 176.379 176.600 -0.825 0.000 1.073 119 E CA -0.260 55.823 56.400 -0.528 0.000 0.888 119 E CB 0.207 29.733 29.700 -0.290 0.000 1.035 119 E HN 0.557 nan 8.360 nan 0.000 0.471 120 A N 0.904 123.139 122.820 -0.976 0.000 2.351 120 A HA 0.168 4.488 4.320 -0.000 0.000 0.257 120 A C 0.793 178.249 177.584 -0.214 0.000 1.087 120 A CA -0.131 51.560 52.037 -0.577 0.000 0.798 120 A CB 0.600 19.400 19.000 -0.333 0.000 1.033 120 A HN 0.036 nan 8.150 nan 0.000 0.488 121 E N -0.304 119.855 120.200 -0.068 0.000 2.505 121 E HA 0.085 4.435 4.350 -0.000 0.000 0.212 121 E C -0.830 175.788 176.600 0.031 0.000 0.825 121 E CA 0.340 56.730 56.400 -0.016 0.000 1.333 121 E CB 0.878 30.569 29.700 -0.015 0.000 1.319 121 E HN 0.687 nan 8.360 nan 0.000 0.658 122 D N 1.063 121.497 120.400 0.057 0.000 3.118 122 D HA 0.142 4.782 4.640 -0.000 0.000 0.286 122 D C -2.782 173.578 176.300 0.102 0.000 1.255 122 D CA -1.431 52.618 54.000 0.082 0.000 0.748 122 D CB 0.998 41.837 40.800 0.065 0.000 1.332 122 D HN -0.107 nan 8.370 nan 0.000 0.575 123 P HA 0.306 nan 4.420 nan 0.000 0.284 123 P C -0.363 177.007 177.300 0.117 0.000 1.258 123 P CA -0.875 62.298 63.100 0.122 0.000 0.824 123 P CB 1.621 33.398 31.700 0.129 0.000 1.038 124 L N 2.426 123.699 121.223 0.083 0.000 2.315 124 L HA 0.393 4.733 4.340 -0.000 0.000 0.283 124 L C 0.086 177.009 176.870 0.088 0.000 1.089 124 L CA 0.497 55.377 54.840 0.067 0.000 0.833 124 L CB 0.173 42.242 42.059 0.017 0.000 1.170 124 L HN 0.466 nan 8.230 nan 0.000 0.442 125 T N 5.172 119.792 114.554 0.110 0.000 2.792 125 T HA 0.467 4.817 4.350 -0.000 0.000 0.280 125 T C -0.786 173.982 174.700 0.112 0.000 0.990 125 T CA -0.783 61.375 62.100 0.096 0.000 0.960 125 T CB 0.874 69.788 68.868 0.077 0.000 0.939 125 T HN 0.563 nan 8.240 nan 0.000 0.439 126 L N 6.497 127.780 121.223 0.101 0.000 2.261 126 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 126 L C -1.276 175.679 176.870 0.142 0.000 1.059 126 L CA -0.704 54.202 54.840 0.110 0.000 0.816 126 L CB 0.194 42.306 42.059 0.089 0.000 1.191 126 L HN 0.770 nan 8.230 nan 0.000 0.431 127 Y N 6.708 127.003 120.300 -0.009 0.000 2.369 127 Y HA 0.593 5.143 4.550 -0.000 0.000 0.337 127 Y C -0.914 174.960 175.900 -0.043 0.000 0.961 127 Y CA -1.468 56.593 58.100 -0.065 0.000 1.186 127 Y CB 0.978 39.392 38.460 -0.078 0.000 1.139 127 Y HN 0.456 nan 8.280 nan 0.000 0.494 128 V N 3.761 123.632 119.914 -0.073 0.000 2.680 128 V HA 0.996 5.116 4.120 -0.000 0.000 0.309 128 V C -0.508 175.468 176.094 -0.198 0.000 1.052 128 V CA 0.028 62.202 62.300 -0.209 0.000 0.908 128 V CB 1.094 32.876 31.823 -0.068 0.000 1.001 128 V HN 0.968 nan 8.190 nan 0.000 0.431 129 S N 2.302 117.861 115.700 -0.234 0.000 2.714 129 S HA 0.642 5.112 4.470 -0.000 0.000 0.280 129 S C 0.910 175.464 174.600 -0.076 0.000 1.200 129 S CA -0.019 58.124 58.200 -0.095 0.000 0.900 129 S CB 0.785 63.967 63.200 -0.029 0.000 1.235 129 S HN 1.670 nan 8.310 nan 0.000 0.512 130 G N -0.183 108.613 108.800 -0.007 0.000 2.448 130 G HA2 0.340 4.300 3.960 -0.000 0.000 0.218 130 G HA3 0.340 4.300 3.960 -0.000 0.000 0.218 130 G C 0.983 175.881 174.900 -0.002 0.000 1.135 130 G CA 0.778 45.882 45.100 0.008 0.000 0.784 130 G HN 1.351 nan 8.290 nan 0.000 0.543 131 G N -0.781 108.011 108.800 -0.013 0.000 2.944 131 G HA2 0.238 4.197 3.960 -0.000 0.000 0.223 131 G HA3 0.238 4.197 3.960 -0.000 0.000 0.223 131 G C 0.141 175.008 174.900 -0.055 0.000 1.071 131 G CA -0.398 44.697 45.100 -0.010 0.000 0.806 131 G HN 0.407 nan 8.290 nan 0.000 0.538 132 N N 0.375 118.983 118.700 -0.153 0.000 2.284 132 N HA 0.574 5.314 4.740 -0.000 0.000 0.300 132 N C -1.228 174.068 175.510 -0.357 0.000 1.047 132 N CA -0.467 52.417 53.050 -0.277 0.000 0.821 132 N CB 2.320 40.522 38.487 -0.475 0.000 1.337 132 N HN 0.069 nan 8.380 nan 0.000 0.482 133 T N -0.607 113.822 114.554 -0.209 0.000 3.335 133 T HA 0.423 4.773 4.350 -0.000 0.000 0.321 133 T C -1.507 173.165 174.700 -0.047 0.000 0.960 133 T CA -0.808 61.203 62.100 -0.149 0.000 1.034 133 T CB 0.587 69.460 68.868 0.009 0.000 1.040 133 T HN 0.577 nan 8.240 nan 0.000 0.454 134 Q N 1.531 121.315 119.800 -0.027 0.000 2.435 134 Q HA 0.700 5.040 4.340 -0.000 0.000 0.282 134 Q C -1.691 174.373 176.000 0.107 0.000 1.020 134 Q CA -1.352 54.481 55.803 0.051 0.000 0.820 134 Q CB 2.079 30.851 28.738 0.057 0.000 1.436 134 Q HN 0.406 nan 8.270 nan 0.000 0.395 135 V N 2.817 122.802 119.914 0.118 0.000 2.364 135 V HA 0.439 4.559 4.120 -0.000 0.000 0.272 135 V C -0.261 175.968 176.094 0.225 0.000 1.036 135 V CA -0.228 62.163 62.300 0.153 0.000 0.880 135 V CB 0.387 32.292 31.823 0.137 0.000 0.991 135 V HN 0.602 nan 8.190 nan 0.000 0.460 136 I N 3.971 124.677 120.570 0.227 0.000 2.569 136 I HA 0.881 5.051 4.170 -0.000 0.000 0.296 136 I C 0.078 176.386 176.117 0.319 0.000 1.028 136 I CA -0.595 60.884 61.300 0.297 0.000 1.082 136 I CB 2.084 40.218 38.000 0.224 0.000 1.264 136 I HN 0.661 nan 8.210 nan 0.000 0.429 137 A N 4.180 127.261 122.820 0.435 0.000 2.515 137 A HA 0.527 4.847 4.320 -0.000 0.000 0.298 137 A C -1.715 176.099 177.584 0.383 0.000 1.059 137 A CA -0.478 51.758 52.037 0.332 0.000 0.698 137 A CB 1.169 20.193 19.000 0.039 0.000 1.289 137 A HN 0.636 nan 8.150 nan 0.000 0.404 138 Y N 2.426 122.763 120.300 0.061 0.000 2.539 138 Y HA 0.507 5.057 4.550 -0.000 0.000 0.352 138 Y C -0.800 175.019 175.900 -0.135 0.000 1.004 138 Y CA 0.123 58.049 58.100 -0.291 0.000 1.278 138 Y CB 0.381 38.421 38.460 -0.700 0.000 1.136 138 Y HN 0.433 nan 8.280 nan 0.000 0.528 139 V N 4.494 124.142 119.914 -0.442 0.000 2.686 139 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 139 V C -0.010 175.814 176.094 -0.451 0.000 1.065 139 V CA -1.166 60.939 62.300 -0.325 0.000 0.894 139 V CB 1.751 33.608 31.823 0.057 0.000 1.004 139 V HN 0.775 nan 8.190 nan 0.000 0.424 140 S N 3.633 119.108 115.700 -0.376 0.000 3.628 140 S HA -0.191 4.279 4.470 -0.000 0.000 0.373 140 S C 0.749 175.094 174.600 -0.425 0.000 0.968 140 S CA 1.022 59.053 58.200 -0.282 0.000 1.215 140 S CB -1.008 62.160 63.200 -0.053 0.000 0.912 140 S HN 1.130 nan 8.310 nan 0.000 0.495 141 K N -1.663 118.336 120.400 -0.668 0.000 3.500 141 K HA -0.163 4.157 4.320 -0.000 0.000 0.313 141 K C -0.178 176.188 176.600 -0.389 0.000 1.338 141 K CA 1.957 57.980 56.287 -0.441 0.000 0.963 141 K CB -0.860 31.529 32.500 -0.184 0.000 1.267 141 K HN 0.734 nan 8.250 nan 0.000 0.448 142 K N -0.456 119.563 120.400 -0.636 0.000 2.523 142 K HA 0.312 4.632 4.320 -0.000 0.000 0.257 142 K C -1.128 175.320 176.600 -0.253 0.000 0.932 142 K CA -0.892 55.216 56.287 -0.298 0.000 0.812 142 K CB 1.457 33.810 32.500 -0.244 0.000 1.326 142 K HN -0.127 nan 8.250 nan 0.000 0.433 143 Y N 2.158 122.501 120.300 0.072 0.000 2.436 143 Y HA 0.152 4.702 4.550 -0.000 0.000 0.336 143 Y C 0.391 176.286 175.900 -0.008 0.000 1.049 143 Y CA 0.356 58.523 58.100 0.112 0.000 1.294 143 Y CB 0.576 39.121 38.460 0.142 0.000 1.179 143 Y HN 0.212 nan 8.280 nan 0.000 0.520 144 R N 1.703 122.296 120.500 0.155 0.000 2.803 144 R HA 0.664 5.004 4.340 -0.000 0.000 0.276 144 R C -1.409 174.853 176.300 -0.063 0.000 0.978 144 R CA -1.277 54.765 56.100 -0.095 0.000 0.939 144 R CB 1.939 32.006 30.300 -0.389 0.000 1.179 144 R HN 0.289 nan 8.270 nan 0.000 0.472 145 V N 2.949 122.744 119.914 -0.199 0.000 2.461 145 V HA 0.176 4.296 4.120 -0.000 0.000 0.275 145 V C -0.002 175.910 176.094 -0.304 0.000 1.047 145 V CA 0.240 62.476 62.300 -0.108 0.000 0.955 145 V CB 0.684 32.455 31.823 -0.086 0.000 0.988 145 V HN 0.710 nan 8.190 nan 0.000 0.471 146 F N 2.278 122.225 119.950 -0.004 0.000 2.706 146 F HA 0.557 5.084 4.527 -0.000 0.000 0.308 146 F C 1.222 176.987 175.800 -0.057 0.000 1.095 146 F CA 0.296 58.277 58.000 -0.031 0.000 1.244 146 F CB 0.963 39.963 39.000 -0.001 0.000 1.063 146 F HN 0.632 nan 8.300 nan 0.000 0.582 147 G N 0.665 109.530 108.800 0.108 0.000 2.752 147 G HA2 0.547 4.507 3.960 -0.000 0.000 0.298 147 G HA3 0.547 4.507 3.960 -0.000 0.000 0.298 147 G C -1.701 173.218 174.900 0.031 0.000 1.434 147 G CA -0.660 44.468 45.100 0.047 0.000 1.004 147 G HN 0.064 nan 8.290 nan 0.000 0.560 148 E N -0.466 119.733 120.200 -0.002 0.000 2.423 148 E HA 0.593 4.943 4.350 -0.000 0.000 0.280 148 E C -1.084 175.503 176.600 -0.021 0.000 1.030 148 E CA -0.924 55.474 56.400 -0.002 0.000 0.812 148 E CB 1.545 31.238 29.700 -0.012 0.000 1.313 148 E HN 0.432 nan 8.360 nan 0.000 0.456 149 T N 0.657 115.210 114.554 -0.002 0.000 2.918 149 T HA 0.219 4.569 4.350 -0.000 0.000 0.302 149 T C 0.838 175.520 174.700 -0.030 0.000 1.045 149 T CA -0.255 61.837 62.100 -0.014 0.000 1.114 149 T CB 0.194 69.117 68.868 0.092 0.000 0.965 149 T HN 0.471 nan 8.240 nan 0.000 0.540 150 L N 2.890 124.079 121.223 -0.055 0.000 2.592 150 L HA 0.253 4.593 4.340 -0.000 0.000 0.227 150 L C 0.940 177.796 176.870 -0.023 0.000 1.127 150 L CA 0.062 54.877 54.840 -0.043 0.000 0.884 150 L CB -0.197 41.830 42.059 -0.053 0.000 1.065 150 L HN 0.749 nan 8.230 nan 0.000 0.457 151 D N 0.095 120.494 120.400 -0.002 0.000 2.816 151 D HA 0.120 4.760 4.640 -0.000 0.000 0.139 151 D C 0.487 176.815 176.300 0.045 0.000 1.328 151 D CA -0.283 53.727 54.000 0.017 0.000 1.565 151 D CB -0.103 40.708 40.800 0.019 0.000 1.687 151 D HN -0.002 nan 8.370 nan 0.000 0.184 152 I N -0.223 120.401 120.570 0.091 0.000 2.677 152 I HA 0.754 4.924 4.170 -0.000 0.000 0.305 152 I C 0.169 176.383 176.117 0.161 0.000 0.988 152 I CA -1.353 60.006 61.300 0.099 0.000 1.260 152 I CB 1.528 39.580 38.000 0.086 0.000 1.410 152 I HN 0.314 nan 8.210 nan 0.000 0.523 153 A N 4.077 126.938 122.820 0.068 0.000 2.332 153 A HA 0.309 4.629 4.320 -0.000 0.000 0.258 153 A C 1.017 178.515 177.584 -0.144 0.000 1.087 153 A CA -0.217 51.833 52.037 0.021 0.000 0.802 153 A CB 1.192 20.166 19.000 -0.044 0.000 1.042 153 A HN 0.854 nan 8.150 nan 0.000 0.489 154 V N 2.737 122.449 119.914 -0.337 0.000 2.343 154 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 154 V C 2.309 178.200 176.094 -0.338 0.000 1.051 154 V CA 3.083 64.946 62.300 -0.727 0.000 1.036 154 V CB -1.082 30.375 31.823 -0.611 0.000 0.654 154 V HN 1.119 nan 8.190 nan 0.000 0.451 155 G N -0.175 108.524 108.800 -0.170 0.000 2.469 155 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.219 155 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.219 155 G C 1.570 176.436 174.900 -0.057 0.000 1.150 155 G CA 1.091 46.144 45.100 -0.078 0.000 0.763 155 G HN 0.595 nan 8.290 nan 0.000 0.561 156 N N -0.136 118.528 118.700 -0.060 0.000 2.270 156 N HA -0.136 4.604 4.740 -0.000 0.000 0.181 156 N C 2.270 177.764 175.510 -0.027 0.000 1.016 156 N CA 1.255 54.295 53.050 -0.015 0.000 0.870 156 N CB -0.325 38.166 38.487 0.008 0.000 0.979 156 N HN 0.326 nan 8.380 nan 0.000 0.431 157 C N 1.115 120.354 119.300 -0.103 0.000 2.393 157 C HA -0.079 4.381 4.460 -0.000 0.000 0.276 157 C C 2.840 177.802 174.990 -0.048 0.000 1.215 157 C CA 0.632 59.588 59.018 -0.104 0.000 1.743 157 C CB -1.313 26.258 27.740 -0.281 0.000 2.044 157 C HN 0.480 nan 8.230 nan 0.000 0.464 158 L N 0.552 121.728 121.223 -0.078 0.000 2.042 158 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 158 L C 2.519 179.443 176.870 0.089 0.000 1.076 158 L CA 1.972 56.819 54.840 0.011 0.000 0.749 158 L CB -0.846 41.206 42.059 -0.012 0.000 0.893 158 L HN 0.385 nan 8.230 nan 0.000 0.432 159 D N -0.333 120.100 120.400 0.055 0.000 2.097 159 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 159 D C 2.336 178.687 176.300 0.085 0.000 0.989 159 D CA 1.135 55.182 54.000 0.078 0.000 0.827 159 D CB -0.064 40.790 40.800 0.089 0.000 0.966 159 D HN 0.397 nan 8.370 nan 0.000 0.456 160 Q N -0.664 119.183 119.800 0.078 0.000 2.124 160 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 160 Q C 2.098 178.152 176.000 0.091 0.000 0.977 160 Q CA 0.791 56.638 55.803 0.073 0.000 0.850 160 Q CB -0.171 28.602 28.738 0.058 0.000 0.901 160 Q HN 0.277 nan 8.270 nan 0.000 0.429 161 F N 1.088 121.025 119.950 -0.022 0.000 2.113 161 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 161 F C 2.178 177.973 175.800 -0.008 0.000 1.103 161 F CA 1.309 59.292 58.000 -0.027 0.000 1.248 161 F CB -0.466 38.496 39.000 -0.063 0.000 0.999 161 F HN -0.007 nan 8.300 nan 0.000 0.475 162 A N 0.516 123.325 122.820 -0.018 0.000 1.917 162 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 162 A C 2.377 179.854 177.584 -0.179 0.000 1.182 162 A CA 2.046 54.015 52.037 -0.114 0.000 0.633 162 A CB -0.942 18.070 19.000 0.021 0.000 0.819 162 A HN 0.498 nan 8.150 nan 0.000 0.448 163 R N -2.261 118.187 120.500 -0.086 0.000 2.075 163 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 163 R C 2.089 178.318 176.300 -0.119 0.000 1.126 163 R CA 1.720 57.778 56.100 -0.070 0.000 0.963 163 R CB -0.473 29.826 30.300 -0.002 0.000 0.858 163 R HN 0.658 nan 8.270 nan 0.000 0.435 164 Y N -0.138 119.993 120.300 -0.282 0.000 2.224 164 Y HA -0.168 4.382 4.550 -0.000 0.000 0.289 164 Y C 1.519 177.150 175.900 -0.449 0.000 1.146 164 Y CA 1.401 59.315 58.100 -0.309 0.000 1.182 164 Y CB 0.331 38.597 38.460 -0.323 0.000 0.983 164 Y HN -0.113 nan 8.280 nan 0.000 0.524 165 V N 1.088 120.623 119.914 -0.632 0.000 3.596 165 V HA -0.005 4.115 4.120 -0.000 0.000 0.289 165 V C 0.157 175.983 176.094 -0.448 0.000 1.336 165 V CA 0.715 62.520 62.300 -0.824 0.000 1.137 165 V CB -0.753 30.399 31.823 -1.118 0.000 0.966 165 V HN 0.571 nan 8.190 nan 0.000 0.428 166 N N 0.102 118.604 118.700 -0.331 0.000 2.869 166 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 166 N C -0.223 175.154 175.510 -0.222 0.000 1.104 166 N CA 0.446 53.361 53.050 -0.226 0.000 0.760 166 N CB -1.215 37.161 38.487 -0.184 0.000 1.108 166 N HN 0.397 nan 8.380 nan 0.000 0.555 167 L N 0.917 121.992 121.223 -0.247 0.000 2.399 167 L HA 0.462 4.802 4.340 -0.000 0.000 0.266 167 L C -1.441 175.286 176.870 -0.237 0.000 1.114 167 L CA -1.374 53.284 54.840 -0.303 0.000 0.804 167 L CB 0.312 42.205 42.059 -0.278 0.000 1.146 167 L HN -0.103 nan 8.230 nan 0.000 0.451 168 P HA 0.124 nan 4.420 nan 0.000 0.276 168 P C -1.167 176.137 177.300 0.007 0.000 1.261 168 P CA -0.368 62.657 63.100 -0.125 0.000 0.800 168 P CB 0.456 32.078 31.700 -0.129 0.000 1.066 169 H N 0.890 119.938 119.070 -0.036 0.000 2.467 169 H HA 0.360 4.916 4.556 -0.000 0.000 0.326 169 H C -2.086 173.250 175.328 0.014 0.000 1.094 169 H CA -1.832 54.207 56.048 -0.015 0.000 1.253 169 H CB 0.557 30.280 29.762 -0.064 0.000 1.439 169 H HN 0.246 nan 8.280 nan 0.000 0.479 170 P HA 0.193 nan 4.420 nan 0.000 0.276 170 P C 0.738 177.974 177.300 -0.106 0.000 1.230 170 P CA -0.394 62.358 63.100 -0.580 0.000 0.776 170 P CB 1.038 32.503 31.700 -0.392 0.000 0.888 171 G N 1.261 110.031 108.800 -0.048 0.000 2.744 171 G HA2 0.045 4.005 3.960 -0.000 0.000 0.211 171 G HA3 0.045 4.005 3.960 -0.000 0.000 0.211 171 G C 1.423 176.413 174.900 0.150 0.000 1.146 171 G CA 0.450 45.627 45.100 0.128 0.000 0.787 171 G HN 0.630 nan 8.290 nan 0.000 0.534 172 G N 2.141 110.973 108.800 0.054 0.000 2.574 172 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 172 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 172 G C 0.080 175.015 174.900 0.058 0.000 1.173 172 G CA 1.419 46.552 45.100 0.055 0.000 0.772 172 G HN 0.400 nan 8.290 nan 0.000 0.585 173 P HA -0.081 nan 4.420 nan 0.000 0.216 173 P C 1.164 178.402 177.300 -0.102 0.000 1.150 173 P CA 0.945 63.991 63.100 -0.091 0.000 0.837 173 P CB -0.131 31.442 31.700 -0.212 0.000 0.786 174 Y N -0.897 119.411 120.300 0.014 0.000 2.200 174 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 174 Y C 2.310 178.242 175.900 0.054 0.000 1.137 174 Y CA 0.988 59.104 58.100 0.026 0.000 1.163 174 Y CB -1.127 37.340 38.460 0.012 0.000 0.988 174 Y HN -0.120 nan 8.280 nan 0.000 0.518 175 I N -0.157 120.546 120.570 0.223 0.000 2.286 175 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 175 I C 2.424 178.624 176.117 0.139 0.000 1.115 175 I CA 1.554 62.964 61.300 0.184 0.000 1.392 175 I CB -0.302 37.801 38.000 0.170 0.000 1.065 175 I HN 0.280 nan 8.210 nan 0.000 0.418 176 E N 0.907 121.176 120.200 0.115 0.000 2.150 176 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 176 E C 2.120 178.777 176.600 0.094 0.000 0.985 176 E CA 1.011 57.477 56.400 0.110 0.000 0.814 176 E CB 0.104 29.857 29.700 0.088 0.000 0.752 176 E HN 0.470 nan 8.360 nan 0.000 0.466 177 E N 0.341 120.584 120.200 0.070 0.000 2.051 177 E HA -0.150 4.200 4.350 -0.000 0.000 0.189 177 E C 2.249 178.904 176.600 0.091 0.000 0.979 177 E CA 0.481 56.916 56.400 0.059 0.000 0.803 177 E CB -0.005 29.708 29.700 0.021 0.000 0.761 177 E HN 0.283 nan 8.360 nan 0.000 0.451 178 L N 0.739 122.036 121.223 0.122 0.000 2.083 178 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 178 L C 2.684 179.633 176.870 0.132 0.000 1.083 178 L CA 1.095 56.013 54.840 0.129 0.000 0.752 178 L CB -0.427 41.725 42.059 0.155 0.000 0.899 178 L HN 0.205 nan 8.230 nan 0.000 0.433 179 A N 0.005 122.917 122.820 0.152 0.000 1.972 179 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 179 A C 2.366 180.069 177.584 0.198 0.000 1.169 179 A CA 1.316 53.480 52.037 0.210 0.000 0.635 179 A CB -0.436 18.688 19.000 0.207 0.000 0.810 179 A HN 0.346 nan 8.150 nan 0.000 0.446 180 R N -0.570 120.008 120.500 0.131 0.000 2.115 180 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 180 R C 1.085 177.399 176.300 0.023 0.000 1.111 180 R CA 1.068 57.216 56.100 0.080 0.000 0.976 180 R CB -0.107 30.232 30.300 0.065 0.000 0.870 180 R HN 0.213 nan 8.270 nan 0.000 0.445 181 K N 0.514 120.935 120.400 0.033 0.000 2.458 181 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 181 K C 0.656 177.248 176.600 -0.014 0.000 1.024 181 K CA 0.080 56.373 56.287 0.009 0.000 1.108 181 K CB 0.767 33.286 32.500 0.032 0.000 0.846 181 K HN 0.139 nan 8.250 nan 0.000 0.518 182 G N 1.250 110.030 108.800 -0.033 0.000 2.477 182 G HA2 0.277 4.237 3.960 -0.000 0.000 0.304 182 G HA3 0.277 4.237 3.960 -0.000 0.000 0.304 182 G C 0.596 175.340 174.900 -0.259 0.000 1.175 182 G CA -0.328 44.736 45.100 -0.059 0.000 0.907 182 G HN 0.152 nan 8.290 nan 0.000 0.509 183 K N -1.072 119.215 120.400 -0.189 0.000 2.726 183 K HA 0.168 4.488 4.320 -0.000 0.000 0.189 183 K C 0.616 177.161 176.600 -0.091 0.000 1.691 183 K CA -0.400 55.756 56.287 -0.218 0.000 1.250 183 K CB 0.267 32.695 32.500 -0.119 0.000 1.705 183 K HN 0.360 nan 8.250 nan 0.000 0.606 184 K N 1.971 122.378 120.400 0.010 0.000 2.249 184 K HA 0.198 4.518 4.320 -0.000 0.000 0.280 184 K C -0.832 175.877 176.600 0.182 0.000 1.033 184 K CA -0.575 55.759 56.287 0.078 0.000 0.946 184 K CB 0.830 33.372 32.500 0.071 0.000 1.005 184 K HN 0.091 nan 8.250 nan 0.000 0.469 185 L N 6.694 128.037 121.223 0.200 0.000 2.352 185 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 185 L C -0.960 176.027 176.870 0.195 0.000 1.109 185 L CA -0.440 54.559 54.840 0.264 0.000 0.952 185 L CB 0.682 42.895 42.059 0.258 0.000 1.314 185 L HN 0.408 nan 8.230 nan 0.000 0.427 186 V N 3.020 123.028 119.914 0.157 0.000 2.928 186 V HA -0.068 4.052 4.120 -0.000 0.000 0.307 186 V C 0.381 176.512 176.094 0.062 0.000 1.105 186 V CA -0.117 62.235 62.300 0.087 0.000 1.223 186 V CB 0.056 31.906 31.823 0.045 0.000 0.930 186 V HN 0.584 nan 8.190 nan 0.000 0.499 187 D N 3.837 124.262 120.400 0.041 0.000 2.412 187 D HA 0.388 5.028 4.640 -0.000 0.000 0.257 187 D C -0.361 175.882 176.300 -0.095 0.000 1.217 187 D CA 0.237 54.253 54.000 0.026 0.000 0.897 187 D CB 0.632 41.452 40.800 0.034 0.000 1.132 187 D HN 0.137 nan 8.370 nan 0.000 0.493 188 L N 4.428 125.512 121.223 -0.232 0.000 2.376 188 L HA 0.451 4.791 4.340 -0.000 0.000 0.258 188 L C -2.326 174.376 176.870 -0.281 0.000 1.013 188 L CA -2.128 52.432 54.840 -0.467 0.000 0.822 188 L CB 2.054 43.480 42.059 -1.054 0.000 1.388 188 L HN 0.163 nan 8.230 nan 0.000 0.413 189 P HA 0.140 nan 4.420 nan 0.000 0.282 189 P C -1.357 176.029 177.300 0.144 0.000 1.274 189 P CA -0.101 63.012 63.100 0.023 0.000 0.770 189 P CB 0.158 31.853 31.700 -0.009 0.000 0.867 190 Y N 2.985 123.406 120.300 0.202 0.000 2.425 190 Y HA 0.295 4.845 4.550 -0.000 0.000 0.347 190 Y C 0.377 176.321 175.900 0.073 0.000 0.976 190 Y CA 0.094 58.324 58.100 0.218 0.000 1.190 190 Y CB 0.869 39.439 38.460 0.183 0.000 1.136 190 Y HN 0.276 nan 8.280 nan 0.000 0.517 191 T N 6.675 121.144 114.554 -0.142 0.000 3.155 191 T HA 0.466 4.816 4.350 -0.000 0.000 0.384 191 T C -1.469 173.129 174.700 -0.169 0.000 1.351 191 T CA -0.484 61.565 62.100 -0.084 0.000 1.198 191 T CB -0.655 68.161 68.868 -0.087 0.000 1.106 191 T HN 0.356 nan 8.240 nan 0.000 0.564 192 V N 5.466 125.361 119.914 -0.031 0.000 2.472 192 V HA 0.571 4.691 4.120 -0.000 0.000 0.290 192 V C -0.096 175.999 176.094 0.000 0.000 1.037 192 V CA -0.734 61.551 62.300 -0.024 0.000 0.908 192 V CB 1.788 33.674 31.823 0.104 0.000 0.985 192 V HN 0.689 nan 8.190 nan 0.000 0.454 193 K N 3.617 124.001 120.400 -0.026 0.000 2.604 193 K HA 0.599 4.919 4.320 -0.000 0.000 0.247 193 K C 0.629 177.229 176.600 -0.000 0.000 0.956 193 K CA 0.073 56.354 56.287 -0.010 0.000 0.896 193 K CB 1.705 34.198 32.500 -0.013 0.000 1.131 193 K HN 0.973 nan 8.250 nan 0.000 0.440 194 G N 2.869 111.678 108.800 0.015 0.000 2.565 194 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.295 194 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.295 194 G C 0.548 175.448 174.900 0.001 0.000 1.165 194 G CA 0.390 45.502 45.100 0.021 0.000 0.977 194 G HN 0.580 nan 8.290 nan 0.000 0.546 195 M N 1.473 121.062 119.600 -0.018 0.000 2.356 195 M HA 0.253 4.733 4.480 -0.000 0.000 0.262 195 M C -0.363 175.926 176.300 -0.018 0.000 1.097 195 M CA -0.083 55.206 55.300 -0.018 0.000 0.991 195 M CB 0.339 32.918 32.600 -0.035 0.000 1.450 195 M HN 0.336 nan 8.290 nan 0.000 0.495 196 D N 1.101 121.481 120.400 -0.033 0.000 2.385 196 D HA 0.617 5.257 4.640 -0.000 0.000 0.254 196 D C -0.124 176.119 176.300 -0.096 0.000 1.053 196 D CA -0.237 53.731 54.000 -0.054 0.000 0.992 196 D CB 1.703 42.471 40.800 -0.054 0.000 1.145 196 D HN 0.165 nan 8.370 nan 0.000 0.523 197 I N -3.655 116.820 120.570 -0.159 0.000 3.264 197 I HA 0.857 5.027 4.170 -0.000 0.000 0.315 197 I C -1.530 174.367 176.117 -0.365 0.000 1.154 197 I CA -1.327 59.794 61.300 -0.298 0.000 0.962 197 I CB 2.206 39.928 38.000 -0.462 0.000 1.265 197 I HN 0.358 nan 8.210 nan 0.000 0.463 198 A N 1.497 124.027 122.820 -0.483 0.000 2.398 198 A HA 0.757 5.077 4.320 -0.000 0.000 0.301 198 A C -1.272 176.015 177.584 -0.494 0.000 1.041 198 A CA -0.366 51.444 52.037 -0.379 0.000 0.711 198 A CB 1.082 19.974 19.000 -0.179 0.000 1.240 198 A HN 0.682 nan 8.150 nan 0.000 0.420 199 F N 0.916 120.834 119.950 -0.054 0.000 2.682 199 F HA 0.150 4.677 4.527 -0.000 0.000 0.308 199 F C 2.109 177.872 175.800 -0.061 0.000 1.093 199 F CA 0.610 58.570 58.000 -0.067 0.000 1.244 199 F CB 0.579 39.543 39.000 -0.060 0.000 1.052 199 F HN 0.497 nan 8.300 nan 0.000 0.573 200 S N 0.165 115.912 115.700 0.079 0.000 2.371 200 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 200 S C 2.489 177.096 174.600 0.011 0.000 1.029 200 S CA 1.439 59.666 58.200 0.045 0.000 0.978 200 S CB -0.684 62.533 63.200 0.028 0.000 0.833 200 S HN 0.483 nan 8.310 nan 0.000 0.466 201 G N 1.798 110.593 108.800 -0.008 0.000 2.421 201 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 201 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 201 G C 1.376 176.253 174.900 -0.039 0.000 1.171 201 G CA 0.947 46.034 45.100 -0.022 0.000 0.775 201 G HN 0.397 nan 8.290 nan 0.000 0.543 202 L N 0.345 121.543 121.223 -0.042 0.000 1.978 202 L HA -0.112 4.228 4.340 -0.000 0.000 0.218 202 L C 2.640 179.457 176.870 -0.088 0.000 1.075 202 L CA 2.063 56.857 54.840 -0.078 0.000 0.767 202 L CB -0.884 41.163 42.059 -0.020 0.000 0.890 202 L HN 0.220 nan 8.230 nan 0.000 0.434 203 L N -0.935 120.265 121.223 -0.039 0.000 1.997 203 L HA -0.267 4.073 4.340 -0.000 0.000 0.216 203 L C 2.400 179.234 176.870 -0.060 0.000 1.074 203 L CA 2.699 57.511 54.840 -0.046 0.000 0.763 203 L CB -1.321 40.737 42.059 -0.002 0.000 0.890 203 L HN 0.418 nan 8.230 nan 0.000 0.434 204 T N -0.195 114.325 114.554 -0.057 0.000 2.708 204 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 204 T C 1.870 176.533 174.700 -0.061 0.000 1.037 204 T CA 1.479 63.536 62.100 -0.070 0.000 1.146 204 T CB -0.549 68.292 68.868 -0.044 0.000 0.865 204 T HN 0.568 nan 8.240 nan 0.000 0.435 205 A N 1.312 124.096 122.820 -0.061 0.000 1.933 205 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 205 A C 2.630 180.186 177.584 -0.048 0.000 1.175 205 A CA 1.842 53.845 52.037 -0.058 0.000 0.628 205 A CB -1.057 17.890 19.000 -0.088 0.000 0.814 205 A HN 0.509 nan 8.150 nan 0.000 0.444 206 A N -0.457 122.313 122.820 -0.084 0.000 1.908 206 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 206 A C 2.255 179.944 177.584 0.175 0.000 1.181 206 A CA 1.928 53.928 52.037 -0.061 0.000 0.627 206 A CB -0.549 18.266 19.000 -0.309 0.000 0.818 206 A HN 0.547 nan 8.150 nan 0.000 0.445 207 M N -1.325 118.325 119.600 0.082 0.000 2.086 207 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 207 M C 2.306 178.706 176.300 0.166 0.000 1.067 207 M CA 1.274 56.556 55.300 -0.029 0.000 1.116 207 M CB -0.284 31.970 32.600 -0.577 0.000 1.348 207 M HN 0.178 nan 8.290 nan 0.000 0.407 208 R N 0.389 120.937 120.500 0.079 0.000 2.120 208 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 208 R C 2.206 178.580 176.300 0.124 0.000 1.123 208 R CA 1.526 57.686 56.100 0.099 0.000 0.975 208 R CB -1.411 28.915 30.300 0.043 0.000 0.866 208 R HN 0.435 nan 8.270 nan 0.000 0.446 209 A N -0.151 122.748 122.820 0.131 0.000 1.930 209 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 209 A C 2.058 179.761 177.584 0.199 0.000 1.175 209 A CA 1.069 53.183 52.037 0.128 0.000 0.627 209 A CB -0.653 18.405 19.000 0.097 0.000 0.815 209 A HN 0.366 nan 8.150 nan 0.000 0.443 210 Y N 1.283 121.692 120.300 0.182 0.000 2.181 210 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 210 Y C 1.676 177.664 175.900 0.147 0.000 1.146 210 Y CA 1.950 60.173 58.100 0.204 0.000 1.164 210 Y CB -0.175 38.475 38.460 0.317 0.000 0.982 210 Y HN 0.343 nan 8.280 nan 0.000 0.515 211 D N -0.005 120.484 120.400 0.148 0.000 2.178 211 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 211 D C 2.017 178.294 176.300 -0.037 0.000 0.974 211 D CA 1.316 55.328 54.000 0.020 0.000 0.841 211 D CB -0.427 40.458 40.800 0.142 0.000 0.953 211 D HN 0.456 nan 8.370 nan 0.000 0.478 212 A N -0.205 122.618 122.820 0.004 0.000 2.238 212 A HA 0.378 4.698 4.320 -0.000 0.000 0.208 212 A C 1.635 179.202 177.584 -0.029 0.000 1.177 212 A CA 1.001 53.037 52.037 -0.003 0.000 0.804 212 A CB -0.221 18.793 19.000 0.024 0.000 0.823 212 A HN 0.237 nan 8.150 nan 0.000 0.482 213 G N -0.235 108.522 108.800 -0.073 0.000 2.171 213 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.238 213 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.238 213 G C -0.317 174.572 174.900 -0.018 0.000 1.039 213 G CA 0.101 45.152 45.100 -0.082 0.000 0.759 213 G HN 0.502 nan 8.290 nan 0.000 0.501 214 E N 0.013 120.229 120.200 0.027 0.000 2.366 214 E HA 0.239 4.589 4.350 -0.000 0.000 0.266 214 E C 0.951 177.609 176.600 0.097 0.000 1.051 214 E CA -0.540 55.900 56.400 0.068 0.000 0.884 214 E CB 0.837 30.594 29.700 0.096 0.000 1.006 214 E HN 0.381 nan 8.360 nan 0.000 0.417 215 R N 1.755 122.310 120.500 0.092 0.000 2.502 215 R HA -0.087 4.253 4.340 -0.000 0.000 0.292 215 R C 1.440 177.839 176.300 0.166 0.000 0.998 215 R CA -0.314 55.850 56.100 0.107 0.000 1.056 215 R CB 0.282 30.631 30.300 0.081 0.000 0.939 215 R HN 0.377 nan 8.270 nan 0.000 0.411 216 L N 4.179 125.525 121.223 0.204 0.000 2.021 216 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 216 L C 1.408 178.406 176.870 0.213 0.000 1.074 216 L CA 2.017 57.014 54.840 0.261 0.000 0.760 216 L CB -0.321 41.879 42.059 0.236 0.000 0.889 216 L HN 0.625 nan 8.230 nan 0.000 0.433 217 E N -0.239 120.056 120.200 0.159 0.000 2.058 217 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 217 E C 1.942 178.637 176.600 0.159 0.000 0.997 217 E CA 1.583 58.067 56.400 0.141 0.000 0.801 217 E CB -0.356 29.403 29.700 0.098 0.000 0.746 217 E HN 0.563 nan 8.360 nan 0.000 0.450 218 D N 0.042 120.529 120.400 0.145 0.000 2.117 218 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 218 D C 2.050 178.453 176.300 0.172 0.000 0.987 218 D CA 0.857 54.958 54.000 0.168 0.000 0.829 218 D CB -0.262 40.615 40.800 0.128 0.000 0.961 218 D HN 0.218 nan 8.370 nan 0.000 0.460 219 I N 0.666 121.324 120.570 0.147 0.000 2.208 219 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 219 I C 2.530 178.632 176.117 -0.024 0.000 1.097 219 I CA 0.742 62.089 61.300 0.078 0.000 1.363 219 I CB -0.321 37.791 38.000 0.187 0.000 1.051 219 I HN 0.059 nan 8.210 nan 0.000 0.413 220 C N -0.114 119.228 119.300 0.069 0.000 2.432 220 C HA -0.227 4.233 4.460 -0.000 0.000 0.277 220 C C 2.833 177.835 174.990 0.020 0.000 1.249 220 C CA 0.710 59.742 59.018 0.024 0.000 1.725 220 C CB -1.032 26.794 27.740 0.144 0.000 2.028 220 C HN 0.542 nan 8.230 nan 0.000 0.477 221 Y N 2.496 122.799 120.300 0.005 0.000 2.114 221 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 221 Y C 2.562 178.466 175.900 0.008 0.000 1.165 221 Y CA 2.089 60.199 58.100 0.016 0.000 1.148 221 Y CB -0.598 37.886 38.460 0.042 0.000 0.972 221 Y HN 0.296 nan 8.280 nan 0.000 0.504 222 S N 0.881 116.546 115.700 -0.059 0.000 2.345 222 S HA -0.202 4.268 4.470 -0.000 0.000 0.220 222 S C 2.100 176.630 174.600 -0.117 0.000 1.031 222 S CA 1.285 59.443 58.200 -0.070 0.000 0.996 222 S CB -0.903 62.318 63.200 0.035 0.000 0.882 222 S HN 0.547 nan 8.310 nan 0.000 0.445 223 L N 1.429 122.506 121.223 -0.243 0.000 2.010 223 L HA -0.317 4.023 4.340 -0.000 0.000 0.219 223 L C 2.795 179.436 176.870 -0.383 0.000 1.077 223 L CA 1.767 56.399 54.840 -0.346 0.000 0.773 223 L CB -0.451 41.302 42.059 -0.509 0.000 0.892 223 L HN 0.456 nan 8.230 nan 0.000 0.436 224 Q N -0.997 118.530 119.800 -0.455 0.000 2.016 224 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 224 Q C 2.074 177.698 176.000 -0.628 0.000 0.978 224 Q CA 1.287 56.617 55.803 -0.788 0.000 0.833 224 Q CB -0.088 28.368 28.738 -0.471 0.000 0.895 224 Q HN 0.442 nan 8.270 nan 0.000 0.427 225 E N 0.267 120.234 120.200 -0.388 0.000 2.086 225 E HA -0.213 4.137 4.350 -0.000 0.000 0.200 225 E C 1.822 178.361 176.600 -0.101 0.000 1.012 225 E CA 1.441 57.692 56.400 -0.249 0.000 0.812 225 E CB -0.445 28.991 29.700 -0.439 0.000 0.743 225 E HN 0.468 nan 8.360 nan 0.000 0.453 226 Y N 0.594 120.790 120.300 -0.174 0.000 2.133 226 Y HA -0.161 4.389 4.550 -0.000 0.000 0.287 226 Y C 2.528 178.368 175.900 -0.100 0.000 1.134 226 Y CA 1.286 59.346 58.100 -0.066 0.000 1.133 226 Y CB -0.441 37.969 38.460 -0.084 0.000 0.987 226 Y HN 0.056 nan 8.280 nan 0.000 0.502 227 A N -0.089 122.735 122.820 0.006 0.000 1.902 227 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 227 A C 1.885 179.590 177.584 0.202 0.000 1.181 227 A CA 1.731 53.822 52.037 0.090 0.000 0.623 227 A CB -1.098 17.807 19.000 -0.157 0.000 0.818 227 A HN 0.427 nan 8.150 nan 0.000 0.443 228 F N 0.715 120.703 119.950 0.064 0.000 2.206 228 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 228 F C 2.777 178.618 175.800 0.069 0.000 1.090 228 F CA 0.735 58.763 58.000 0.046 0.000 1.323 228 F CB -1.210 37.800 39.000 0.016 0.000 1.028 228 F HN 0.136 nan 8.300 nan 0.000 0.492 229 S N 0.259 116.129 115.700 0.284 0.000 2.356 229 S HA -0.218 4.252 4.470 -0.000 0.000 0.223 229 S C 2.132 176.903 174.600 0.284 0.000 1.032 229 S CA 1.374 59.783 58.200 0.349 0.000 1.005 229 S CB -0.442 62.970 63.200 0.353 0.000 0.867 229 S HN 0.307 nan 8.310 nan 0.000 0.449 230 M N 0.720 120.360 119.600 0.066 0.000 2.108 230 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 230 M C 1.980 178.303 176.300 0.039 0.000 1.066 230 M CA 1.446 56.672 55.300 -0.123 0.000 1.107 230 M CB -0.555 31.819 32.600 -0.376 0.000 1.356 230 M HN 0.251 nan 8.290 nan 0.000 0.406 231 L N -0.969 120.328 121.223 0.124 0.000 2.156 231 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 231 L C 2.358 179.257 176.870 0.049 0.000 1.095 231 L CA 1.031 55.944 54.840 0.122 0.000 0.770 231 L CB -0.593 41.584 42.059 0.197 0.000 0.914 231 L HN 0.305 nan 8.230 nan 0.000 0.439 232 T N -1.254 113.305 114.554 0.008 0.000 2.904 232 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 232 T C 1.692 176.314 174.700 -0.129 0.000 1.059 232 T CA 1.111 63.098 62.100 -0.189 0.000 1.137 232 T CB 0.045 68.590 68.868 -0.538 0.000 0.879 232 T HN 0.348 nan 8.240 nan 0.000 0.467 233 E N 1.321 121.563 120.200 0.070 0.000 2.031 233 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 233 E C 2.248 178.897 176.600 0.083 0.000 0.994 233 E CA 1.307 57.800 56.400 0.156 0.000 0.800 233 E CB -0.274 29.591 29.700 0.274 0.000 0.752 233 E HN 0.688 nan 8.360 nan 0.000 0.447 234 I N -1.150 119.456 120.570 0.061 0.000 2.493 234 I HA -0.131 4.039 4.170 -0.000 0.000 0.254 234 I C 1.922 178.059 176.117 0.033 0.000 1.160 234 I CA 1.383 62.708 61.300 0.041 0.000 1.445 234 I CB -0.432 37.583 38.000 0.024 0.000 1.086 234 I HN -0.025 nan 8.210 nan 0.000 0.433 235 T N 0.664 115.231 114.554 0.022 0.000 2.812 235 T HA -0.155 4.195 4.350 -0.000 0.000 0.264 235 T C 1.752 176.456 174.700 0.006 0.000 1.042 235 T CA 1.654 63.764 62.100 0.017 0.000 1.140 235 T CB -0.250 68.622 68.868 0.007 0.000 0.870 235 T HN 0.500 nan 8.240 nan 0.000 0.445 236 E N 1.177 121.373 120.200 -0.007 0.000 2.058 236 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 236 E C 2.460 179.084 176.600 0.040 0.000 0.997 236 E CA 0.999 57.407 56.400 0.014 0.000 0.801 236 E CB 0.073 29.797 29.700 0.040 0.000 0.746 236 E HN 0.341 nan 8.360 nan 0.000 0.450 237 R N -0.085 120.444 120.500 0.048 0.000 2.096 237 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 237 R C 2.328 178.659 176.300 0.052 0.000 1.127 237 R CA 1.043 57.175 56.100 0.054 0.000 0.968 237 R CB -0.498 29.828 30.300 0.043 0.000 0.861 237 R HN 0.166 nan 8.270 nan 0.000 0.440 238 A N 1.589 124.425 122.820 0.026 0.000 1.969 238 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 238 A C 2.171 179.745 177.584 -0.018 0.000 1.169 238 A CA 0.860 52.898 52.037 0.002 0.000 0.635 238 A CB -0.338 18.664 19.000 0.003 0.000 0.810 238 A HN 0.190 nan 8.150 nan 0.000 0.445 239 L N -0.253 120.971 121.223 0.001 0.000 2.027 239 L HA 0.030 4.370 4.340 -0.000 0.000 0.206 239 L C 2.598 179.470 176.870 0.004 0.000 1.074 239 L CA 2.128 56.963 54.840 -0.008 0.000 0.745 239 L CB -0.766 41.297 42.059 0.007 0.000 0.898 239 L HN 0.304 nan 8.230 nan 0.000 0.433 240 A N -2.210 120.632 122.820 0.037 0.000 2.178 240 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 240 A C 2.211 179.827 177.584 0.054 0.000 1.157 240 A CA 1.504 53.568 52.037 0.044 0.000 0.689 240 A CB -0.909 18.129 19.000 0.062 0.000 0.787 240 A HN 0.726 nan 8.150 nan 0.000 0.465 241 H N -0.782 118.256 119.070 -0.054 0.000 2.604 241 H HA 0.012 4.568 4.556 -0.000 0.000 0.273 241 H C 1.666 176.916 175.328 -0.130 0.000 0.971 241 H CA 1.660 57.674 56.048 -0.057 0.000 1.249 241 H CB 0.578 30.327 29.762 -0.023 0.000 1.449 241 H HN 0.571 nan 8.280 nan 0.000 0.512 242 T N -2.385 112.082 114.554 -0.144 0.000 3.054 242 T HA 0.024 4.374 4.350 -0.000 0.000 0.255 242 T C 0.611 175.222 174.700 -0.149 0.000 1.035 242 T CA -0.148 61.797 62.100 -0.258 0.000 0.941 242 T CB -0.239 68.350 68.868 -0.465 0.000 1.026 242 T HN 0.337 nan 8.240 nan 0.000 0.533 243 N N 1.982 120.623 118.700 -0.097 0.000 2.650 243 N HA -0.151 4.589 4.740 -0.000 0.000 0.272 243 N C -1.026 174.457 175.510 -0.045 0.000 1.058 243 N CA 0.505 53.520 53.050 -0.058 0.000 0.765 243 N CB -0.195 38.259 38.487 -0.055 0.000 0.902 243 N HN 0.439 nan 8.380 nan 0.000 0.551 244 K N -0.170 120.208 120.400 -0.036 0.000 2.238 244 K HA 0.468 4.788 4.320 -0.000 0.000 0.239 244 K C 0.970 177.577 176.600 0.011 0.000 0.987 244 K CA -0.230 56.051 56.287 -0.009 0.000 0.857 244 K CB 1.598 34.092 32.500 -0.010 0.000 1.154 244 K HN 0.314 nan 8.250 nan 0.000 0.439 245 G N 0.548 109.367 108.800 0.032 0.000 3.519 245 G HA2 0.129 4.089 3.960 -0.000 0.000 0.269 245 G HA3 0.129 4.089 3.960 -0.000 0.000 0.269 245 G C -0.352 174.581 174.900 0.055 0.000 1.028 245 G CA -0.183 44.940 45.100 0.038 0.000 0.809 245 G HN 0.568 nan 8.290 nan 0.000 0.521 246 E N -0.953 119.289 120.200 0.070 0.000 2.375 246 E HA 0.574 4.924 4.350 -0.000 0.000 0.280 246 E C -1.948 174.708 176.600 0.093 0.000 0.972 246 E CA -0.901 55.554 56.400 0.091 0.000 0.782 246 E CB 2.108 31.933 29.700 0.208 0.000 1.229 246 E HN -0.122 nan 8.360 nan 0.000 0.439 247 V N 2.520 122.485 119.914 0.085 0.000 2.604 247 V HA 0.476 4.596 4.120 -0.000 0.000 0.305 247 V C -0.533 175.572 176.094 0.018 0.000 1.043 247 V CA -0.670 61.689 62.300 0.098 0.000 0.888 247 V CB 1.787 33.715 31.823 0.176 0.000 0.995 247 V HN 0.788 nan 8.190 nan 0.000 0.429 248 M N 5.240 124.847 119.600 0.012 0.000 2.253 248 M HA 0.588 5.068 4.480 -0.000 0.000 0.314 248 M C -1.629 174.622 176.300 -0.083 0.000 1.019 248 M CA -0.851 54.400 55.300 -0.082 0.000 0.932 248 M CB 1.651 34.257 32.600 0.010 0.000 1.606 248 M HN 0.620 nan 8.290 nan 0.000 0.430 249 L N 6.336 127.440 121.223 -0.198 0.000 2.307 249 L HA 0.790 5.130 4.340 -0.000 0.000 0.282 249 L C -1.574 175.265 176.870 -0.052 0.000 1.051 249 L CA -0.189 54.614 54.840 -0.061 0.000 0.804 249 L CB 1.644 43.705 42.059 0.004 0.000 1.197 249 L HN 0.563 nan 8.230 nan 0.000 0.431 250 V N 4.001 123.915 119.914 -0.000 0.000 2.969 250 V HA 0.941 5.061 4.120 -0.000 0.000 0.304 250 V C -0.022 176.083 176.094 0.017 0.000 1.192 250 V CA 0.113 62.397 62.300 -0.028 0.000 0.962 250 V CB 1.600 33.363 31.823 -0.101 0.000 1.045 250 V HN 1.193 nan 8.190 nan 0.000 0.428 251 G N 2.638 111.411 108.800 -0.044 0.000 2.515 251 G HA2 0.342 4.302 3.960 -0.000 0.000 0.686 251 G HA3 0.342 4.302 3.960 -0.000 0.000 0.686 251 G C 0.652 175.593 174.900 0.068 0.000 1.274 251 G CA -0.106 45.016 45.100 0.037 0.000 0.874 251 G HN 1.522 nan 8.290 nan 0.000 0.631 252 G N -1.005 107.858 108.800 0.104 0.000 2.507 252 G HA2 0.003 3.963 3.960 -0.000 0.000 0.221 252 G HA3 0.003 3.963 3.960 -0.000 0.000 0.221 252 G C 1.809 176.725 174.900 0.026 0.000 1.119 252 G CA 2.405 47.547 45.100 0.069 0.000 0.751 252 G HN 1.452 nan 8.290 nan 0.000 0.574 253 V N 1.165 121.087 119.914 0.012 0.000 2.871 253 V HA 0.029 4.149 4.120 -0.000 0.000 0.256 253 V C 3.136 179.202 176.094 -0.048 0.000 1.082 253 V CA 1.274 63.566 62.300 -0.014 0.000 1.105 253 V CB -0.450 31.360 31.823 -0.021 0.000 0.713 253 V HN 0.463 nan 8.190 nan 0.000 0.473 254 A N 0.521 123.324 122.820 -0.029 0.000 2.139 254 A HA -0.142 4.178 4.320 -0.000 0.000 0.221 254 A C 2.371 179.936 177.584 -0.032 0.000 1.159 254 A CA 1.721 53.739 52.037 -0.033 0.000 0.662 254 A CB -0.516 18.480 19.000 -0.005 0.000 0.796 254 A HN 0.584 nan 8.150 nan 0.000 0.463 255 A N 0.109 122.914 122.820 -0.024 0.000 2.070 255 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 255 A C 1.345 178.912 177.584 -0.028 0.000 1.159 255 A CA 0.868 52.893 52.037 -0.021 0.000 0.656 255 A CB -0.522 18.468 19.000 -0.017 0.000 0.800 255 A HN 0.548 nan 8.150 nan 0.000 0.453 256 N N 0.736 119.405 118.700 -0.051 0.000 2.416 256 N HA 0.024 4.764 4.740 -0.000 0.000 0.265 256 N C 0.392 175.859 175.510 -0.070 0.000 1.195 256 N CA 0.268 53.289 53.050 -0.049 0.000 0.943 256 N CB 0.077 38.524 38.487 -0.068 0.000 1.115 256 N HN 0.472 nan 8.380 nan 0.000 0.481 257 N N 2.830 121.519 118.700 -0.018 0.000 2.061 257 N HA -0.263 4.477 4.740 -0.000 0.000 0.193 257 N C 1.595 177.093 175.510 -0.020 0.000 1.030 257 N CA 1.243 54.288 53.050 -0.009 0.000 0.856 257 N CB -0.040 38.454 38.487 0.013 0.000 1.023 257 N HN 0.494 nan 8.380 nan 0.000 0.424 258 R N 1.362 121.872 120.500 0.017 0.000 2.094 258 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 258 R C 2.041 178.303 176.300 -0.063 0.000 1.137 258 R CA 1.202 57.338 56.100 0.059 0.000 0.943 258 R CB -1.030 29.402 30.300 0.219 0.000 0.850 258 R HN 0.266 nan 8.270 nan 0.000 0.433 259 L N 0.863 121.872 121.223 -0.356 0.000 2.013 259 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 259 L C 2.273 178.971 176.870 -0.286 0.000 1.073 259 L CA 1.964 56.413 54.840 -0.652 0.000 0.753 259 L CB -0.539 40.769 42.059 -1.252 0.000 0.890 259 L HN 0.207 nan 8.230 nan 0.000 0.432 260 R N -0.500 119.901 120.500 -0.166 0.000 2.091 260 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 260 R C 2.232 178.445 176.300 -0.144 0.000 1.136 260 R CA 1.843 57.917 56.100 -0.043 0.000 0.959 260 R CB -0.298 30.031 30.300 0.050 0.000 0.856 260 R HN 0.760 nan 8.270 nan 0.000 0.437 261 E N 0.289 120.423 120.200 -0.111 0.000 2.076 261 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 261 E C 2.038 178.555 176.600 -0.137 0.000 0.979 261 E CA 0.793 57.125 56.400 -0.113 0.000 0.807 261 E CB -0.349 29.329 29.700 -0.037 0.000 0.761 261 E HN 0.265 nan 8.360 nan 0.000 0.454 262 M N 0.433 119.981 119.600 -0.086 0.000 2.108 262 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 262 M C 2.012 178.188 176.300 -0.207 0.000 1.066 262 M CA 1.193 56.468 55.300 -0.042 0.000 1.107 262 M CB 0.003 32.636 32.600 0.055 0.000 1.356 262 M HN 0.226 nan 8.290 nan 0.000 0.406 263 L N 0.678 121.709 121.223 -0.320 0.000 2.093 263 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 263 L C 2.344 178.733 176.870 -0.802 0.000 1.085 263 L CA 1.821 56.373 54.840 -0.479 0.000 0.755 263 L CB -0.844 41.011 42.059 -0.339 0.000 0.904 263 L HN 0.318 nan 8.230 nan 0.000 0.435 264 K N -1.098 118.750 120.400 -0.919 0.000 2.097 264 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 264 K C 2.037 178.418 176.600 -0.364 0.000 1.050 264 K CA 1.040 56.836 56.287 -0.820 0.000 0.938 264 K CB -0.032 32.131 32.500 -0.561 0.000 0.718 264 K HN 0.315 nan 8.250 nan 0.000 0.442 265 A N 1.791 124.475 122.820 -0.226 0.000 1.883 265 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 265 A C 2.144 179.693 177.584 -0.060 0.000 1.186 265 A CA 1.740 53.728 52.037 -0.081 0.000 0.624 265 A CB -0.644 18.367 19.000 0.018 0.000 0.822 265 A HN 0.419 nan 8.150 nan 0.000 0.444 266 M N 0.026 119.557 119.600 -0.115 0.000 2.082 266 M HA -0.201 4.279 4.480 -0.000 0.000 0.258 266 M C 2.210 178.459 176.300 -0.085 0.000 1.069 266 M CA 2.274 57.512 55.300 -0.104 0.000 1.102 266 M CB -1.345 31.003 32.600 -0.421 0.000 1.336 266 M HN 0.523 nan 8.290 nan 0.000 0.404 267 C N 0.543 119.754 119.300 -0.149 0.000 2.422 267 C HA -0.113 4.347 4.460 -0.000 0.000 0.279 267 C C 2.424 177.383 174.990 -0.051 0.000 1.305 267 C CA 0.881 59.852 59.018 -0.079 0.000 1.757 267 C CB -1.197 26.511 27.740 -0.054 0.000 1.962 267 C HN 0.601 nan 8.230 nan 0.000 0.499 268 E N 0.477 120.637 120.200 -0.068 0.000 2.106 268 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 268 E C 2.397 178.989 176.600 -0.012 0.000 0.984 268 E CA 1.185 57.563 56.400 -0.037 0.000 0.806 268 E CB -0.332 29.342 29.700 -0.043 0.000 0.750 268 E HN 0.726 nan 8.360 nan 0.000 0.458 269 G N 0.859 109.659 108.800 0.001 0.000 2.440 269 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 269 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 269 G C 1.398 176.309 174.900 0.019 0.000 1.154 269 G CA 0.425 45.538 45.100 0.022 0.000 0.767 269 G HN 0.136 nan 8.290 nan 0.000 0.552 270 Q N 0.180 119.989 119.800 0.015 0.000 2.280 270 Q HA 0.062 4.402 4.340 -0.000 0.000 0.202 270 Q C 0.490 176.496 176.000 0.009 0.000 0.903 270 Q CA -0.184 55.628 55.803 0.016 0.000 0.948 270 Q CB 0.012 28.760 28.738 0.017 0.000 1.058 270 Q HN 0.500 nan 8.270 nan 0.000 0.493 271 N N 0.578 119.281 118.700 0.004 0.000 2.705 271 N HA -0.178 4.562 4.740 -0.000 0.000 0.255 271 N C -0.919 174.593 175.510 0.004 0.000 1.008 271 N CA 0.658 53.709 53.050 0.002 0.000 0.742 271 N CB -1.038 37.452 38.487 0.006 0.000 0.906 271 N HN 0.188 nan 8.380 nan 0.000 0.541 272 V N -3.117 116.797 119.914 -0.000 0.000 3.046 272 V HA 0.690 4.810 4.120 -0.000 0.000 0.316 272 V C 0.443 176.527 176.094 -0.018 0.000 1.104 272 V CA -1.216 61.086 62.300 0.003 0.000 1.006 272 V CB 2.050 33.883 31.823 0.016 0.000 1.058 272 V HN 0.026 nan 8.190 nan 0.000 0.440 273 D N 1.002 121.375 120.400 -0.044 0.000 2.313 273 D HA 0.471 5.111 4.640 -0.000 0.000 0.247 273 D C -1.196 174.965 176.300 -0.231 0.000 1.094 273 D CA 0.330 54.215 54.000 -0.192 0.000 0.925 273 D CB 1.854 42.498 40.800 -0.260 0.000 1.188 273 D HN 0.626 nan 8.370 nan 0.000 0.430 274 F N 2.349 121.947 119.950 -0.585 0.000 2.579 274 F HA 0.312 4.839 4.527 -0.000 0.000 0.325 274 F C -1.742 173.749 175.800 -0.515 0.000 1.162 274 F CA -0.684 57.067 58.000 -0.415 0.000 0.946 274 F CB 0.701 39.572 39.000 -0.216 0.000 1.211 274 F HN 0.123 nan 8.300 nan 0.000 0.447 275 Y N 4.498 124.433 120.300 -0.607 0.000 2.429 275 Y HA 0.750 5.300 4.550 -0.000 0.000 0.342 275 Y C -0.814 174.724 175.900 -0.603 0.000 1.004 275 Y CA -1.418 56.411 58.100 -0.452 0.000 1.075 275 Y CB 2.105 40.431 38.460 -0.223 0.000 1.214 275 Y HN 0.332 nan 8.280 nan 0.000 0.455 276 V N 3.669 123.467 119.914 -0.193 0.000 2.577 276 V HA 0.471 4.591 4.120 -0.000 0.000 0.303 276 V C -2.395 173.680 176.094 -0.032 0.000 1.042 276 V CA -2.215 59.998 62.300 -0.144 0.000 0.872 276 V CB 1.826 33.580 31.823 -0.116 0.000 0.998 276 V HN 0.573 nan 8.190 nan 0.000 0.423 277 P HA 0.303 nan 4.420 nan 0.000 0.271 277 P C -2.677 174.651 177.300 0.047 0.000 1.233 277 P CA -1.173 61.952 63.100 0.042 0.000 0.789 277 P CB -0.217 31.532 31.700 0.082 0.000 0.951 278 P HA 0.031 nan 4.420 nan 0.000 0.269 278 P C 0.925 178.184 177.300 -0.068 0.000 1.215 278 P CA -0.149 62.950 63.100 -0.002 0.000 0.780 278 P CB 0.473 32.169 31.700 -0.006 0.000 0.898 279 K N 2.809 123.152 120.400 -0.094 0.000 2.097 279 K HA -0.287 4.033 4.320 -0.000 0.000 0.214 279 K C 1.536 178.036 176.600 -0.166 0.000 1.052 279 K CA 2.421 58.646 56.287 -0.103 0.000 0.932 279 K CB -0.163 32.277 32.500 -0.100 0.000 0.716 279 K HN 0.629 nan 8.250 nan 0.000 0.455 280 E N -1.149 118.837 120.200 -0.356 0.000 2.482 280 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 280 E C 0.912 177.169 176.600 -0.572 0.000 1.047 280 E CA 0.743 56.829 56.400 -0.523 0.000 0.869 280 E CB -0.039 29.204 29.700 -0.762 0.000 0.836 280 E HN 0.495 nan 8.360 nan 0.000 0.520 281 F N -0.928 118.995 119.950 -0.045 0.000 2.746 281 F HA 0.257 4.784 4.527 -0.000 0.000 0.320 281 F C 1.874 177.668 175.800 -0.010 0.000 1.097 281 F CA -0.850 57.119 58.000 -0.053 0.000 1.195 281 F CB 0.442 39.393 39.000 -0.082 0.000 1.056 281 F HN 0.168 nan 8.300 nan 0.000 0.562 282 C N 0.465 119.836 119.300 0.118 0.000 2.522 282 C HA 0.383 4.843 4.460 -0.000 0.000 0.280 282 C C 1.941 177.033 174.990 0.170 0.000 1.303 282 C CA 0.751 59.836 59.018 0.112 0.000 1.709 282 C CB -1.198 26.568 27.740 0.044 0.000 2.071 282 C HN 0.421 nan 8.230 nan 0.000 0.492 283 G N 0.211 109.096 108.800 0.141 0.000 2.557 283 G HA2 0.372 4.332 3.960 -0.000 0.000 0.292 283 G HA3 0.372 4.332 3.960 -0.000 0.000 0.292 283 G C -1.115 173.949 174.900 0.274 0.000 1.237 283 G CA -0.219 45.004 45.100 0.205 0.000 0.978 283 G HN 0.438 nan 8.290 nan 0.000 0.498 284 D N -0.025 120.559 120.400 0.307 0.000 2.533 284 D HA 0.216 4.856 4.640 -0.000 0.000 0.236 284 D C 0.444 176.805 176.300 0.100 0.000 1.137 284 D CA 0.894 55.026 54.000 0.220 0.000 0.867 284 D CB 0.508 41.490 40.800 0.304 0.000 1.170 284 D HN 0.614 nan 8.370 nan 0.000 0.474 285 N N -1.682 117.034 118.700 0.026 0.000 2.710 285 N HA 0.424 5.164 4.740 -0.000 0.000 0.257 285 N C 0.617 176.156 175.510 0.047 0.000 1.327 285 N CA -1.014 52.063 53.050 0.046 0.000 0.861 285 N CB 0.897 39.419 38.487 0.058 0.000 1.532 285 N HN 0.118 nan 8.380 nan 0.000 0.499 286 G N -0.748 108.106 108.800 0.090 0.000 2.511 286 G HA2 0.063 4.023 3.960 -0.000 0.000 0.217 286 G HA3 0.063 4.023 3.960 -0.000 0.000 0.217 286 G C 1.208 176.164 174.900 0.093 0.000 1.133 286 G CA 0.599 45.767 45.100 0.113 0.000 0.792 286 G HN 0.792 nan 8.290 nan 0.000 0.539 287 A N 1.701 124.586 122.820 0.108 0.000 1.933 287 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 287 A C 2.403 180.003 177.584 0.025 0.000 1.175 287 A CA 2.001 54.094 52.037 0.094 0.000 0.628 287 A CB -0.445 18.656 19.000 0.168 0.000 0.814 287 A HN 0.559 nan 8.150 nan 0.000 0.444 288 M N -1.322 118.268 119.600 -0.017 0.000 2.175 288 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 288 M C 1.661 177.904 176.300 -0.095 0.000 1.063 288 M CA 1.589 56.840 55.300 -0.082 0.000 1.119 288 M CB -0.635 31.847 32.600 -0.197 0.000 1.377 288 M HN 0.156 nan 8.290 nan 0.000 0.415 289 I N 2.231 122.749 120.570 -0.087 0.000 2.163 289 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 289 I C 3.090 179.161 176.117 -0.076 0.000 1.085 289 I CA 1.710 62.957 61.300 -0.089 0.000 1.347 289 I CB -1.964 36.022 38.000 -0.023 0.000 1.044 289 I HN 0.430 nan 8.210 nan 0.000 0.408 290 A N 0.543 123.358 122.820 -0.009 0.000 1.883 290 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 290 A C 2.385 179.972 177.584 0.005 0.000 1.186 290 A CA 1.681 53.722 52.037 0.006 0.000 0.624 290 A CB -1.353 17.684 19.000 0.062 0.000 0.822 290 A HN 0.693 nan 8.150 nan 0.000 0.444 291 W N 0.214 121.408 121.300 -0.177 0.000 2.358 291 W HA -0.134 4.526 4.660 0.000 0.000 0.303 291 W C 1.741 178.090 176.519 -0.283 0.000 1.208 291 W CA 1.501 58.717 57.345 -0.216 0.000 1.274 291 W CB -0.195 29.119 29.460 -0.242 0.000 1.138 291 W HN 0.325 nan 8.180 nan 0.000 0.515 292 L N 0.957 121.932 121.223 -0.413 0.000 2.072 292 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 292 L C 2.661 179.192 176.870 -0.565 0.000 1.079 292 L CA 1.771 56.212 54.840 -0.666 0.000 0.752 292 L CB -1.320 40.427 42.059 -0.520 0.000 0.906 292 L HN 0.047 nan 8.230 nan 0.000 0.436 293 G N 0.391 108.980 108.800 -0.352 0.000 2.529 293 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 293 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 293 G C 1.543 176.273 174.900 -0.283 0.000 1.177 293 G CA 1.151 46.087 45.100 -0.273 0.000 0.773 293 G HN 0.341 nan 8.290 nan 0.000 0.573 294 L N -0.503 120.540 121.223 -0.301 0.000 1.989 294 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 294 L C 2.854 179.489 176.870 -0.392 0.000 1.071 294 L CA 0.428 55.100 54.840 -0.279 0.000 0.749 294 L CB -0.552 41.359 42.059 -0.247 0.000 0.890 294 L HN 0.118 nan 8.230 nan 0.000 0.431 295 L N -0.664 120.136 121.223 -0.705 0.000 2.034 295 L HA -0.287 4.053 4.340 -0.000 0.000 0.217 295 L C 2.485 179.142 176.870 -0.355 0.000 1.077 295 L CA 2.118 56.530 54.840 -0.713 0.000 0.769 295 L CB -0.741 40.578 42.059 -1.234 0.000 0.890 295 L HN 0.298 nan 8.230 nan 0.000 0.435 296 M N -3.065 116.341 119.600 -0.323 0.000 2.334 296 M HA -0.113 4.367 4.480 -0.000 0.000 0.266 296 M C 2.209 178.494 176.300 -0.025 0.000 1.082 296 M CA 1.078 56.328 55.300 -0.083 0.000 1.141 296 M CB -0.392 32.154 32.600 -0.090 0.000 1.380 296 M HN 0.228 nan 8.290 nan 0.000 0.440 297 H N 0.653 119.606 119.070 -0.194 0.000 2.431 297 H HA 0.067 4.623 4.556 -0.000 0.000 0.295 297 H C 2.004 177.245 175.328 -0.145 0.000 1.038 297 H CA 1.323 57.236 56.048 -0.225 0.000 1.360 297 H CB 0.290 29.855 29.762 -0.329 0.000 1.433 297 H HN 0.112 nan 8.280 nan 0.000 0.536 298 K N -0.026 120.309 120.400 -0.110 0.000 2.211 298 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 298 K C 0.551 177.103 176.600 -0.080 0.000 1.047 298 K CA 1.246 57.469 56.287 -0.106 0.000 0.935 298 K CB 0.126 32.563 32.500 -0.104 0.000 0.728 298 K HN 0.315 nan 8.250 nan 0.000 0.452 299 N N 0.085 118.754 118.700 -0.050 0.000 2.276 299 N HA 0.060 4.800 4.740 -0.000 0.000 0.212 299 N C -0.530 174.996 175.510 0.026 0.000 1.127 299 N CA 0.733 53.788 53.050 0.008 0.000 0.834 299 N CB 1.089 39.614 38.487 0.065 0.000 1.014 299 N HN 0.317 nan 8.380 nan 0.000 0.491 300 G N 2.067 110.859 108.800 -0.013 0.000 2.636 300 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.261 300 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.261 300 G C -0.330 174.682 174.900 0.186 0.000 1.018 300 G CA -0.057 45.103 45.100 0.100 0.000 1.308 300 G HN 0.585 nan 8.290 nan 0.000 0.514 301 R N 1.282 121.902 120.500 0.201 0.000 2.566 301 R HA 0.624 4.964 4.340 -0.000 0.000 0.271 301 R C -1.220 175.271 176.300 0.317 0.000 1.071 301 R CA -1.287 54.986 56.100 0.288 0.000 0.915 301 R CB 1.345 31.747 30.300 0.169 0.000 1.228 301 R HN 0.317 nan 8.270 nan 0.000 0.449 302 W N 3.828 125.188 121.300 0.099 0.000 2.762 302 W HA 0.590 5.250 4.660 0.000 0.000 0.355 302 W C -0.644 175.926 176.519 0.085 0.000 1.124 302 W CA -1.325 56.091 57.345 0.119 0.000 1.141 302 W CB 2.622 32.135 29.460 0.088 0.000 1.432 302 W HN 0.354 nan 8.180 nan 0.000 0.586 303 M N 2.388 122.139 119.600 0.251 0.000 2.224 303 M HA 0.086 4.566 4.480 -0.000 0.000 0.281 303 M C -0.021 176.383 176.300 0.175 0.000 1.025 303 M CA -0.391 55.014 55.300 0.174 0.000 0.954 303 M CB 2.240 34.901 32.600 0.103 0.000 1.639 303 M HN 0.330 nan 8.290 nan 0.000 0.461 304 S N 2.856 118.647 115.700 0.152 0.000 2.572 304 S HA 0.230 4.700 4.470 -0.000 0.000 0.279 304 S C 1.131 175.780 174.600 0.081 0.000 1.341 304 S CA -0.760 57.507 58.200 0.112 0.000 1.043 304 S CB 0.777 64.028 63.200 0.085 0.000 0.887 304 S HN 0.719 nan 8.310 nan 0.000 0.516 305 L N 1.240 122.496 121.223 0.056 0.000 2.189 305 L HA -0.128 4.212 4.340 -0.000 0.000 0.214 305 L C 2.049 178.936 176.870 0.028 0.000 1.097 305 L CA 1.722 56.579 54.840 0.029 0.000 0.764 305 L CB -1.508 40.554 42.059 0.006 0.000 0.900 305 L HN 0.795 nan 8.230 nan 0.000 0.436 306 D N -0.256 120.164 120.400 0.034 0.000 2.317 306 D HA -0.107 4.533 4.640 -0.000 0.000 0.211 306 D C 1.695 178.016 176.300 0.035 0.000 0.966 306 D CA 0.513 54.530 54.000 0.028 0.000 0.876 306 D CB 0.345 41.160 40.800 0.024 0.000 0.927 306 D HN 0.475 nan 8.370 nan 0.000 0.519 307 E N -0.361 119.870 120.200 0.052 0.000 2.502 307 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 307 E C 1.006 177.649 176.600 0.073 0.000 1.062 307 E CA 0.291 56.724 56.400 0.055 0.000 0.867 307 E CB 0.263 30.004 29.700 0.070 0.000 0.888 307 E HN 0.140 nan 8.360 nan 0.000 0.510 308 T N -0.263 114.351 114.554 0.100 0.000 3.330 308 T HA 0.120 4.470 4.350 -0.000 0.000 0.249 308 T C 0.026 174.829 174.700 0.173 0.000 0.980 308 T CA -0.789 61.433 62.100 0.204 0.000 0.920 308 T CB -0.431 68.553 68.868 0.194 0.000 1.065 308 T HN -0.120 nan 8.240 nan 0.000 0.588 309 K N 1.758 122.206 120.400 0.081 0.000 2.298 309 K HA 0.502 4.822 4.320 -0.000 0.000 0.280 309 K C 0.149 176.777 176.600 0.047 0.000 1.032 309 K CA -1.001 55.314 56.287 0.047 0.000 0.958 309 K CB -0.251 32.255 32.500 0.009 0.000 0.978 309 K HN 0.423 nan 8.250 nan 0.000 0.472 310 I N -0.415 120.193 120.570 0.063 0.000 2.634 310 I HA 0.198 4.368 4.170 -0.000 0.000 0.284 310 I C -0.503 175.598 176.117 -0.027 0.000 1.124 310 I CA -0.294 61.041 61.300 0.058 0.000 1.417 310 I CB 0.089 38.148 38.000 0.097 0.000 1.396 310 I HN 0.432 nan 8.210 nan 0.000 0.571 311 I N 6.314 126.832 120.570 -0.086 0.000 2.503 311 I HA 0.299 4.469 4.170 -0.000 0.000 0.277 311 I C -1.921 174.190 176.117 -0.009 0.000 1.078 311 I CA -2.119 59.104 61.300 -0.128 0.000 1.184 311 I CB 0.362 38.112 38.000 -0.418 0.000 1.353 311 I HN 0.451 nan 8.210 nan 0.000 0.490 312 P HA -0.115 nan 4.420 nan 0.000 0.217 312 P C 0.649 177.986 177.300 0.063 0.000 1.148 312 P CA 1.494 64.623 63.100 0.049 0.000 0.828 312 P CB 0.299 32.027 31.700 0.047 0.000 0.783 313 N N -2.036 116.699 118.700 0.058 0.000 2.467 313 N HA 0.047 4.787 4.740 -0.000 0.000 0.278 313 N C -0.425 175.166 175.510 0.135 0.000 1.306 313 N CA -0.352 52.741 53.050 0.071 0.000 0.905 313 N CB -0.106 38.399 38.487 0.030 0.000 1.236 313 N HN 0.292 nan 8.380 nan 0.000 0.509 314 Y N 2.383 122.691 120.300 0.014 0.000 2.815 314 Y HA -0.124 4.426 4.550 -0.000 0.000 0.346 314 Y C 0.603 176.515 175.900 0.019 0.000 1.267 314 Y CA -0.163 57.947 58.100 0.015 0.000 1.604 314 Y CB 0.324 38.795 38.460 0.018 0.000 1.218 314 Y HN -0.032 nan 8.280 nan 0.000 0.527 315 R N 2.976 123.626 120.500 0.251 0.000 2.549 315 R HA 0.077 4.417 4.340 -0.000 0.000 0.267 315 R C 1.102 177.391 176.300 -0.018 0.000 1.045 315 R CA -0.212 55.931 56.100 0.072 0.000 1.115 315 R CB 1.043 31.362 30.300 0.031 0.000 1.121 315 R HN 0.601 nan 8.270 nan 0.000 0.543 316 T N 0.411 114.940 114.554 -0.041 0.000 2.812 316 T HA -0.105 4.245 4.350 -0.000 0.000 0.264 316 T C 0.812 175.504 174.700 -0.014 0.000 1.042 316 T CA 1.470 63.540 62.100 -0.050 0.000 1.140 316 T CB -0.147 68.727 68.868 0.010 0.000 0.870 316 T HN 0.489 nan 8.240 nan 0.000 0.445 317 D N 1.353 121.732 120.400 -0.035 0.000 2.170 317 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 317 D C 1.770 178.065 176.300 -0.008 0.000 1.004 317 D CA 1.311 55.276 54.000 -0.057 0.000 0.860 317 D CB -0.368 40.371 40.800 -0.101 0.000 0.931 317 D HN 0.479 nan 8.370 nan 0.000 0.448 318 M N 0.028 119.652 119.600 0.041 0.000 2.700 318 M HA -0.020 4.460 4.480 -0.000 0.000 0.249 318 M C -0.026 176.366 176.300 0.153 0.000 1.082 318 M CA 0.316 55.689 55.300 0.122 0.000 1.077 318 M CB 0.408 33.159 32.600 0.251 0.000 1.477 318 M HN -0.238 nan 8.290 nan 0.000 0.529 319 V N 1.247 121.210 119.914 0.082 0.000 2.333 319 V HA 0.124 4.244 4.120 -0.000 0.000 0.274 319 V C 0.046 176.203 176.094 0.106 0.000 1.028 319 V CA -0.822 61.543 62.300 0.108 0.000 0.851 319 V CB 1.010 32.869 31.823 0.059 0.000 1.000 319 V HN 0.194 nan 8.190 nan 0.000 0.456 320 E N 4.607 124.872 120.200 0.109 0.000 2.383 320 E HA 0.140 4.490 4.350 -0.000 0.000 0.257 320 E C -0.502 176.125 176.600 0.044 0.000 1.079 320 E CA -0.101 56.337 56.400 0.064 0.000 0.934 320 E CB 0.658 30.405 29.700 0.077 0.000 0.978 320 E HN 0.511 nan 8.360 nan 0.000 0.462 321 V N 5.591 125.441 119.914 -0.106 0.000 2.530 321 V HA 0.146 4.266 4.120 -0.000 0.000 0.282 321 V C 0.774 176.651 176.094 -0.363 0.000 1.048 321 V CA -0.071 61.943 62.300 -0.478 0.000 0.997 321 V CB 1.085 32.558 31.823 -0.583 0.000 0.987 321 V HN 0.874 nan 8.190 nan 0.000 0.477 322 N N 3.157 121.655 118.700 -0.336 0.000 2.142 322 N HA 0.030 4.770 4.740 -0.000 0.000 0.233 322 N C 0.148 175.667 175.510 0.014 0.000 1.335 322 N CA -0.364 52.646 53.050 -0.068 0.000 0.837 322 N CB 0.032 38.577 38.487 0.096 0.000 1.238 322 N HN 0.769 nan 8.380 nan 0.000 0.501 323 W N 0.614 121.856 121.300 -0.097 0.000 2.702 323 W HA 0.534 5.194 4.660 -0.000 0.000 0.369 323 W C -0.337 176.099 176.519 -0.139 0.000 0.987 323 W CA -0.947 56.322 57.345 -0.126 0.000 1.702 323 W CB -0.243 29.113 29.460 -0.174 0.000 1.138 323 W HN -0.101 nan 8.180 nan 0.000 0.552 344 E N 1.384 121.613 120.200 0.048 0.000 2.250 344 E HA 0.332 4.682 4.350 -0.000 0.000 0.192 344 E C 0.606 177.220 176.600 0.022 0.000 0.986 344 E CA 1.151 57.572 56.400 0.036 0.000 0.849 344 E CB 0.200 29.921 29.700 0.035 0.000 0.797 344 E HN 1.076 nan 8.360 nan 0.000 0.482 345 A N 1.585 124.421 122.820 0.027 0.000 2.332 345 A HA 0.246 4.566 4.320 -0.000 0.000 0.300 345 A C -1.231 176.367 177.584 0.023 0.000 1.153 345 A CA -0.729 51.322 52.037 0.022 0.000 0.764 345 A CB 1.301 20.315 19.000 0.024 0.000 1.174 345 A HN 0.111 nan 8.150 nan 0.000 0.467 346 D N 2.395 122.805 120.400 0.018 0.000 2.371 346 D HA 0.347 4.987 4.640 -0.000 0.000 0.256 346 D C -0.290 176.021 176.300 0.019 0.000 1.193 346 D CA 0.270 54.280 54.000 0.017 0.000 0.881 346 D CB 0.531 41.338 40.800 0.012 0.000 1.143 346 D HN 0.531 nan 8.370 nan 0.000 0.473 347 I N 0.746 121.328 120.570 0.021 0.000 2.433 347 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 347 I C -0.956 175.169 176.117 0.014 0.000 1.001 347 I CA -0.381 60.932 61.300 0.022 0.000 1.119 347 I CB 1.558 39.577 38.000 0.031 0.000 1.289 347 I HN 0.077 nan 8.210 nan 0.000 0.438 348 K N 5.502 125.908 120.400 0.009 0.000 2.371 348 K HA 0.537 4.857 4.320 -0.000 0.000 0.251 348 K C -1.034 175.556 176.600 -0.017 0.000 0.934 348 K CA -0.939 55.346 56.287 -0.003 0.000 0.798 348 K CB 2.502 35.003 32.500 0.002 0.000 1.204 348 K HN 0.636 nan 8.250 nan 0.000 0.427 349 R N 2.328 122.799 120.500 -0.048 0.000 2.265 349 R HA 0.156 4.496 4.340 -0.000 0.000 0.328 349 R C -1.169 175.093 176.300 -0.064 0.000 0.969 349 R CA -0.416 55.624 56.100 -0.100 0.000 0.832 349 R CB 0.864 31.034 30.300 -0.218 0.000 1.139 349 R HN 0.596 nan 8.270 nan 0.000 0.457 350 D N 1.963 122.348 120.400 -0.026 0.000 2.185 350 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 350 D C -1.195 175.126 176.300 0.035 0.000 1.027 350 D CA -0.110 53.899 54.000 0.014 0.000 0.861 350 D CB 2.047 42.872 40.800 0.042 0.000 1.202 350 D HN 0.452 nan 8.370 nan 0.000 0.453 351 S N 2.044 117.779 115.700 0.059 0.000 2.526 351 S HA 0.323 4.793 4.470 -0.000 0.000 0.293 351 S C -0.811 173.909 174.600 0.200 0.000 1.092 351 S CA -0.566 57.696 58.200 0.103 0.000 0.980 351 S CB 1.428 64.653 63.200 0.041 0.000 1.048 351 S HN 0.425 nan 8.310 nan 0.000 0.483 352 Y N 2.375 122.731 120.300 0.093 0.000 2.564 352 Y HA 0.447 4.997 4.550 -0.000 0.000 0.347 352 Y C 1.328 177.267 175.900 0.065 0.000 1.284 352 Y CA -0.932 57.228 58.100 0.100 0.000 1.449 352 Y CB 0.359 38.934 38.460 0.192 0.000 1.606 352 Y HN 0.611 nan 8.280 nan 0.000 0.594 353 L N -0.302 120.719 121.223 -0.337 0.000 2.610 353 L HA 0.194 4.534 4.340 -0.000 0.000 0.232 353 L C 0.026 176.826 176.870 -0.116 0.000 1.149 353 L CA 1.457 56.150 54.840 -0.244 0.000 0.872 353 L CB -0.279 41.569 42.059 -0.352 0.000 0.992 353 L HN 0.742 nan 8.230 nan 0.000 0.447 354 D N -2.284 118.086 120.400 -0.050 0.000 2.058 354 D HA 0.014 4.654 4.640 -0.000 0.000 0.537 354 D C 0.009 176.204 176.300 -0.175 0.000 0.886 354 D CA -0.288 53.617 54.000 -0.158 0.000 1.044 354 D CB -0.318 40.302 40.800 -0.299 0.000 1.478 354 D HN 0.242 nan 8.370 nan 0.000 0.480 355 F N 1.871 121.912 119.950 0.151 0.000 2.379 355 F HA 0.569 5.096 4.527 -0.000 0.000 0.332 355 F C 0.014 175.902 175.800 0.147 0.000 1.096 355 F CA -0.213 57.869 58.000 0.136 0.000 1.105 355 F CB 1.350 40.406 39.000 0.094 0.000 1.189 355 F HN -0.320 nan 8.300 nan 0.000 0.515 356 D N 0.936 121.563 120.400 0.378 0.000 2.787 356 D HA 0.559 5.199 4.640 -0.000 0.000 0.246 356 D C -1.265 175.236 176.300 0.335 0.000 1.150 356 D CA -0.314 53.854 54.000 0.280 0.000 0.864 356 D CB 2.162 43.119 40.800 0.262 0.000 1.481 356 D HN 0.361 nan 8.370 nan 0.000 0.509 357 V N 0.145 120.204 119.914 0.242 0.000 2.823 357 V HA 0.782 4.901 4.120 -0.000 0.000 0.312 357 V C -0.529 175.644 176.094 0.133 0.000 1.072 357 V CA -0.940 61.534 62.300 0.291 0.000 0.937 357 V CB 1.652 33.673 31.823 0.330 0.000 1.013 357 V HN 0.612 nan 8.190 nan 0.000 0.430 358 I N 3.369 124.009 120.570 0.116 0.000 2.530 358 I HA 0.857 5.027 4.170 -0.000 0.000 0.297 358 I C -0.606 175.543 176.117 0.053 0.000 1.011 358 I CA -1.020 60.314 61.300 0.056 0.000 1.107 358 I CB 1.895 39.928 38.000 0.055 0.000 1.285 358 I HN 0.866 nan 8.210 nan 0.000 0.436 359 I N 2.888 123.482 120.570 0.040 0.000 2.378 359 I HA 0.555 4.725 4.170 -0.000 0.000 0.291 359 I C -0.596 175.537 176.117 0.026 0.000 0.992 359 I CA -0.485 60.837 61.300 0.036 0.000 1.154 359 I CB 1.542 39.564 38.000 0.036 0.000 1.315 359 I HN 0.691 nan 8.210 nan 0.000 0.448 360 K N 5.376 125.789 120.400 0.023 0.000 2.316 360 K HA 0.375 4.695 4.320 -0.000 0.000 0.267 360 K C -0.904 175.705 176.600 0.016 0.000 1.025 360 K CA -0.381 55.918 56.287 0.021 0.000 0.896 360 K CB 0.930 33.443 32.500 0.022 0.000 1.124 360 K HN 0.855 nan 8.250 nan 0.000 0.451 361 E N 4.666 124.874 120.200 0.013 0.000 2.113 361 E HA 0.166 4.516 4.350 -0.000 0.000 0.273 361 E C -0.913 175.689 176.600 0.003 0.000 0.924 361 E CA -0.747 55.657 56.400 0.007 0.000 0.764 361 E CB 0.865 30.568 29.700 0.005 0.000 1.104 361 E HN 0.452 nan 8.360 nan 0.000 0.406 362 R N 3.154 123.652 120.500 -0.003 0.000 2.309 362 R HA 0.136 4.476 4.340 -0.000 0.000 0.331 362 R C -0.086 176.202 176.300 -0.021 0.000 1.116 362 R CA -0.225 55.868 56.100 -0.010 0.000 0.970 362 R CB 0.902 31.192 30.300 -0.017 0.000 1.024 362 R HN 0.310 nan 8.270 nan 0.000 0.472 363 V N 3.746 123.650 119.914 -0.016 0.000 3.003 363 V HA 0.069 4.189 4.120 -0.000 0.000 0.305 363 V C 0.261 176.330 176.094 -0.042 0.000 1.078 363 V CA -0.352 61.935 62.300 -0.022 0.000 1.083 363 V CB 0.967 32.785 31.823 -0.010 0.000 1.039 363 V HN 0.696 nan 8.190 nan 0.000 0.481 364 K N 4.609 124.979 120.400 -0.050 0.000 2.237 364 K HA 0.309 4.629 4.320 -0.000 0.000 0.270 364 K C -0.827 175.713 176.600 -0.101 0.000 1.015 364 K CA -0.451 55.787 56.287 -0.081 0.000 0.949 364 K CB 0.689 33.146 32.500 -0.072 0.000 0.976 364 K HN 0.355 nan 8.250 nan 0.000 0.472 365 K N 2.956 123.246 120.400 -0.184 0.000 2.316 365 K HA 0.161 4.481 4.320 -0.000 0.000 0.267 365 K C 0.801 177.208 176.600 -0.322 0.000 1.025 365 K CA -0.389 55.727 56.287 -0.286 0.000 0.896 365 K CB 1.584 33.756 32.500 -0.547 0.000 1.124 365 K HN 1.020 nan 8.250 nan 0.000 0.451 366 G N 1.926 110.633 108.800 -0.155 0.000 2.422 366 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 366 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 366 G C 1.233 176.090 174.900 -0.072 0.000 1.140 366 G CA 0.754 45.802 45.100 -0.087 0.000 0.775 366 G HN 0.718 nan 8.290 nan 0.000 0.545 367 Y N 1.941 122.227 120.300 -0.023 0.000 2.333 367 Y HA 0.127 4.677 4.550 -0.000 0.000 0.290 367 Y C 1.525 177.421 175.900 -0.007 0.000 1.144 367 Y CA 0.132 58.218 58.100 -0.024 0.000 1.228 367 Y CB -0.419 38.020 38.460 -0.035 0.000 0.985 367 Y HN 0.244 nan 8.280 nan 0.000 0.542 368 R N 1.335 121.615 120.500 -0.368 0.000 2.573 368 R HA 0.174 4.514 4.340 -0.000 0.000 0.272 368 R C -0.551 175.689 176.300 -0.099 0.000 1.009 368 R CA -0.599 55.396 56.100 -0.176 0.000 1.059 368 R CB 0.553 30.676 30.300 -0.295 0.000 1.112 368 R HN 0.105 nan 8.270 nan 0.000 0.517 369 D N 1.919 122.299 120.400 -0.034 0.000 2.520 369 D HA -0.120 4.520 4.640 -0.000 0.000 0.243 369 D C 0.982 177.257 176.300 -0.041 0.000 1.160 369 D CA 0.393 54.398 54.000 0.009 0.000 0.877 369 D CB 0.867 41.703 40.800 0.060 0.000 1.150 369 D HN 0.752 nan 8.370 nan 0.000 0.494 370 E N 4.383 124.567 120.200 -0.027 0.000 2.130 370 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 370 E C 1.532 178.105 176.600 -0.045 0.000 0.998 370 E CA 0.894 57.266 56.400 -0.047 0.000 0.806 370 E CB -0.102 29.580 29.700 -0.029 0.000 0.738 370 E HN 0.483 nan 8.360 nan 0.000 0.459 371 R N 0.561 121.052 120.500 -0.016 0.000 2.080 371 R HA -0.071 4.269 4.340 -0.000 0.000 0.236 371 R C 2.680 178.950 176.300 -0.050 0.000 1.137 371 R CA 1.694 57.787 56.100 -0.011 0.000 0.943 371 R CB -0.533 29.786 30.300 0.032 0.000 0.846 371 R HN 0.251 nan 8.270 nan 0.000 0.431 372 L N 0.840 122.011 121.223 -0.087 0.000 1.989 372 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 372 L C 1.963 178.720 176.870 -0.189 0.000 1.071 372 L CA 2.147 56.881 54.840 -0.177 0.000 0.749 372 L CB -0.505 41.397 42.059 -0.261 0.000 0.890 372 L HN 0.268 nan 8.230 nan 0.000 0.431 373 D N -0.619 119.676 120.400 -0.174 0.000 2.149 373 D HA -0.306 4.334 4.640 -0.000 0.000 0.198 373 D C 2.000 178.215 176.300 -0.141 0.000 0.990 373 D CA 1.510 55.398 54.000 -0.185 0.000 0.839 373 D CB 0.145 40.840 40.800 -0.175 0.000 0.948 373 D HN 0.329 nan 8.370 nan 0.000 0.460 374 E N 0.047 120.186 120.200 -0.103 0.000 2.106 374 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 374 E C 1.646 178.202 176.600 -0.074 0.000 0.984 374 E CA 1.322 57.678 56.400 -0.074 0.000 0.806 374 E CB -0.253 29.418 29.700 -0.048 0.000 0.750 374 E HN 0.240 nan 8.360 nan 0.000 0.458 375 N N -0.039 118.611 118.700 -0.083 0.000 2.250 375 N HA -0.021 4.719 4.740 -0.000 0.000 0.181 375 N C 1.841 177.288 175.510 -0.106 0.000 1.017 375 N CA 1.015 54.022 53.050 -0.071 0.000 0.866 375 N CB -0.109 38.350 38.487 -0.046 0.000 0.985 375 N HN 0.280 nan 8.380 nan 0.000 0.429 376 I N 0.864 121.327 120.570 -0.178 0.000 2.252 376 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 376 I C 2.123 178.152 176.117 -0.147 0.000 1.102 376 I CA 0.989 62.149 61.300 -0.232 0.000 1.385 376 I CB -0.008 37.761 38.000 -0.385 0.000 1.064 376 I HN 0.057 nan 8.210 nan 0.000 0.414 377 R N 0.429 120.857 120.500 -0.120 0.000 2.090 377 R HA -0.130 4.210 4.340 -0.000 0.000 0.228 377 R C 2.305 178.575 176.300 -0.050 0.000 1.110 377 R CA 1.053 57.105 56.100 -0.079 0.000 0.973 377 R CB -0.198 30.058 30.300 -0.074 0.000 0.869 377 R HN 0.232 nan 8.270 nan 0.000 0.440 378 K N 0.605 120.976 120.400 -0.047 0.000 2.007 378 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 378 K C 2.220 178.809 176.600 -0.018 0.000 1.047 378 K CA 1.782 58.053 56.287 -0.028 0.000 0.937 378 K CB 0.045 32.530 32.500 -0.026 0.000 0.718 378 K HN 0.174 nan 8.250 nan 0.000 0.438 379 S N 0.805 116.493 115.700 -0.021 0.000 2.356 379 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 379 S C 1.970 176.580 174.600 0.016 0.000 1.032 379 S CA 0.845 59.045 58.200 -0.001 0.000 1.005 379 S CB -0.455 62.746 63.200 0.003 0.000 0.867 379 S HN 0.306 nan 8.310 nan 0.000 0.449 380 R N 1.024 121.525 120.500 0.001 0.000 2.091 380 R HA -0.049 4.291 4.340 -0.000 0.000 0.238 380 R C 2.630 178.953 176.300 0.038 0.000 1.136 380 R CA 1.836 57.949 56.100 0.023 0.000 0.959 380 R CB -1.261 29.034 30.300 -0.008 0.000 0.856 380 R HN 0.468 nan 8.270 nan 0.000 0.437 381 T N 1.039 115.602 114.554 0.016 0.000 2.684 381 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 381 T C 1.985 176.699 174.700 0.022 0.000 1.036 381 T CA 1.594 63.705 62.100 0.018 0.000 1.148 381 T CB -0.275 68.595 68.868 0.003 0.000 0.863 381 T HN 0.418 nan 8.240 nan 0.000 0.436 382 A N 1.538 124.366 122.820 0.013 0.000 1.873 382 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 382 A C 2.377 179.962 177.584 0.001 0.000 1.186 382 A CA 1.321 53.357 52.037 -0.001 0.000 0.616 382 A CB -0.544 18.451 19.000 -0.010 0.000 0.823 382 A HN 0.350 nan 8.150 nan 0.000 0.442 383 R N -0.642 119.886 120.500 0.046 0.000 2.094 383 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 383 R C 2.367 178.781 176.300 0.190 0.000 1.137 383 R CA 1.990 58.166 56.100 0.127 0.000 0.943 383 R CB -0.382 30.069 30.300 0.251 0.000 0.850 383 R HN 0.812 nan 8.270 nan 0.000 0.433 384 E N 0.156 120.462 120.200 0.176 0.000 2.038 384 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 384 E C 1.905 178.567 176.600 0.103 0.000 1.000 384 E CA 1.482 57.999 56.400 0.196 0.000 0.803 384 E CB -0.132 29.652 29.700 0.140 0.000 0.750 384 E HN 0.379 nan 8.360 nan 0.000 0.448 385 A N 1.130 123.972 122.820 0.038 0.000 1.892 385 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 385 A C 2.272 179.819 177.584 -0.061 0.000 1.188 385 A CA 1.939 53.971 52.037 -0.009 0.000 0.631 385 A CB -0.700 18.292 19.000 -0.013 0.000 0.822 385 A HN 0.274 nan 8.150 nan 0.000 0.447 386 R N -2.256 118.178 120.500 -0.111 0.000 2.081 386 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 386 R C 1.986 178.093 176.300 -0.322 0.000 1.131 386 R CA 1.798 57.761 56.100 -0.229 0.000 0.960 386 R CB -0.365 29.749 30.300 -0.310 0.000 0.856 386 R HN 0.626 nan 8.270 nan 0.000 0.436 387 Y N 0.281 120.435 120.300 -0.244 0.000 2.220 387 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 387 Y C 2.004 177.596 175.900 -0.512 0.000 1.129 387 Y CA 1.035 58.821 58.100 -0.523 0.000 1.161 387 Y CB -0.202 37.712 38.460 -0.910 0.000 0.997 387 Y HN 0.016 nan 8.280 nan 0.000 0.522 388 L N -1.019 120.136 121.223 -0.112 0.000 2.131 388 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 388 L C 2.550 179.344 176.870 -0.126 0.000 1.092 388 L CA 1.028 55.831 54.840 -0.062 0.000 0.759 388 L CB -0.765 41.301 42.059 0.013 0.000 0.903 388 L HN 0.235 nan 8.230 nan 0.000 0.435 389 A N 0.082 122.821 122.820 -0.135 0.000 1.840 389 A HA -0.177 4.143 4.320 -0.000 0.000 0.214 389 A C 2.222 179.690 177.584 -0.195 0.000 1.198 389 A CA 1.104 53.063 52.037 -0.130 0.000 0.608 389 A CB -0.817 18.123 19.000 -0.099 0.000 0.839 389 A HN 0.325 nan 8.150 nan 0.000 0.443 390 L N 0.249 121.320 121.223 -0.253 0.000 2.189 390 L HA -0.117 4.223 4.340 -0.000 0.000 0.214 390 L C 2.071 178.606 176.870 -0.559 0.000 1.097 390 L CA 1.762 56.402 54.840 -0.335 0.000 0.764 390 L CB -0.431 41.440 42.059 -0.315 0.000 0.900 390 L HN 0.243 nan 8.230 nan 0.000 0.436 391 V N -0.272 119.351 119.914 -0.486 0.000 3.129 391 V HA -0.140 3.980 4.120 -0.000 0.000 0.259 391 V C 2.293 178.150 176.094 -0.395 0.000 1.116 391 V CA 0.889 62.849 62.300 -0.568 0.000 1.127 391 V CB -0.151 31.541 31.823 -0.219 0.000 0.742 391 V HN 0.427 nan 8.190 nan 0.000 0.474 392 K N -0.090 120.146 120.400 -0.274 0.000 2.283 392 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 392 K C 1.544 178.068 176.600 -0.126 0.000 1.048 392 K CA 1.252 57.445 56.287 -0.156 0.000 0.948 392 K CB -0.138 32.292 32.500 -0.116 0.000 0.742 392 K HN 0.378 nan 8.250 nan 0.000 0.458 393 D N 0.123 120.377 120.400 -0.243 0.000 2.309 393 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 393 D C 0.823 177.217 176.300 0.156 0.000 0.968 393 D CA 1.055 54.991 54.000 -0.107 0.000 0.882 393 D CB -0.000 40.694 40.800 -0.176 0.000 0.918 393 D HN 0.314 nan 8.370 nan 0.000 0.503 394 F N -1.055 118.896 119.950 0.003 0.000 2.678 394 F HA 0.264 4.791 4.527 -0.000 0.000 0.305 394 F C 1.441 177.237 175.800 -0.008 0.000 1.090 394 F CA -0.316 57.684 58.000 0.001 0.000 1.272 394 F CB 0.773 39.777 39.000 0.006 0.000 1.060 394 F HN -0.079 nan 8.300 nan 0.000 0.576 395 G N 2.547 111.428 108.800 0.135 0.000 2.248 395 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.263 395 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.263 395 G C -0.403 174.519 174.900 0.036 0.000 1.082 395 G CA -0.391 44.747 45.100 0.063 0.000 0.863 395 G HN 0.357 nan 8.290 nan 0.000 0.495 396 I N 0.670 121.252 120.570 0.019 0.000 2.411 396 I HA 0.261 4.431 4.170 -0.000 0.000 0.284 396 I C -2.181 173.892 176.117 -0.072 0.000 1.012 396 I CA -2.406 58.896 61.300 0.002 0.000 1.119 396 I CB 2.167 40.212 38.000 0.075 0.000 1.261 396 I HN -0.108 nan 8.210 nan 0.000 0.448 397 P HA 0.255 nan 4.420 nan 0.000 0.265 397 P C -0.626 176.591 177.300 -0.137 0.000 1.193 397 P CA 0.056 62.967 63.100 -0.316 0.000 0.765 397 P CB 0.915 32.120 31.700 -0.824 0.000 0.823 398 A N 3.891 126.683 122.820 -0.046 0.000 2.581 398 A HA 0.737 5.057 4.320 -0.000 0.000 0.290 398 A C -2.986 174.588 177.584 -0.017 0.000 1.119 398 A CA -1.551 50.513 52.037 0.045 0.000 0.670 398 A CB 0.396 19.376 19.000 -0.033 0.000 1.280 398 A HN 0.258 nan 8.150 nan 0.000 0.425 399 P HA 0.382 nan 4.420 nan 0.000 0.272 399 P C -1.154 175.997 177.300 -0.249 0.000 1.223 399 P CA 0.278 63.309 63.100 -0.115 0.000 0.784 399 P CB 0.073 31.725 31.700 -0.080 0.000 0.923 400 Y N 0.846 121.071 120.300 -0.125 0.000 2.309 400 Y HA 0.173 4.723 4.550 -0.000 0.000 0.327 400 Y C 0.854 176.547 175.900 -0.346 0.000 1.172 400 Y CA 0.018 58.026 58.100 -0.153 0.000 1.280 400 Y CB 0.351 38.787 38.460 -0.040 0.000 1.234 400 Y HN 0.133 nan 8.280 nan 0.000 0.512 401 I N 4.861 125.411 120.570 -0.033 0.000 2.297 401 I HA 0.043 4.213 4.170 -0.000 0.000 0.291 401 I C 0.361 176.518 176.117 0.066 0.000 1.033 401 I CA -0.200 61.053 61.300 -0.079 0.000 1.253 401 I CB -0.291 37.697 38.000 -0.020 0.000 1.396 401 I HN 0.789 nan 8.210 nan 0.000 0.476 402 F N 2.857 122.844 119.950 0.063 0.000 2.092 402 F HA -0.025 4.502 4.527 -0.000 0.000 0.286 402 F C 1.141 176.945 175.800 0.008 0.000 1.116 402 F CA 0.485 58.502 58.000 0.028 0.000 1.185 402 F CB 0.304 39.314 39.000 0.017 0.000 1.034 402 F HN 0.390 nan 8.300 nan 0.000 0.479 403 D N -1.768 118.763 120.400 0.217 0.000 2.732 403 D HA 0.552 5.192 4.640 -0.000 0.000 0.292 403 D C -1.468 174.871 176.300 0.064 0.000 1.135 403 D CA -0.316 53.748 54.000 0.106 0.000 1.071 403 D CB 2.525 43.374 40.800 0.081 0.000 1.457 403 D HN -0.214 nan 8.370 nan 0.000 0.547 404 V N 0.832 120.769 119.914 0.038 0.000 2.932 404 V HA 0.425 4.545 4.120 -0.000 0.000 0.307 404 V C -1.436 174.667 176.094 0.015 0.000 1.147 404 V CA -0.841 61.473 62.300 0.022 0.000 0.951 404 V CB 2.048 33.877 31.823 0.011 0.000 1.031 404 V HN 0.607 nan 8.190 nan 0.000 0.426 405 D N 2.719 123.126 120.400 0.011 0.000 2.400 405 D HA 0.386 5.026 4.640 -0.000 0.000 0.272 405 D C 0.792 177.093 176.300 0.001 0.000 1.220 405 D CA -0.340 53.664 54.000 0.006 0.000 0.897 405 D CB 1.016 41.821 40.800 0.007 0.000 1.134 405 D HN 0.418 nan 8.370 nan 0.000 0.507 406 L N 1.159 122.381 121.223 -0.002 0.000 2.191 406 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 406 L C 1.358 178.223 176.870 -0.008 0.000 1.103 406 L CA 0.801 55.638 54.840 -0.006 0.000 0.769 406 L CB -0.102 41.952 42.059 -0.007 0.000 0.908 406 L HN 0.261 nan 8.230 nan 0.000 0.438 407 D N 0.207 120.603 120.400 -0.007 0.000 2.117 407 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 407 D C 1.718 178.012 176.300 -0.010 0.000 0.987 407 D CA 1.147 55.142 54.000 -0.009 0.000 0.829 407 D CB -0.225 40.571 40.800 -0.007 0.000 0.961 407 D HN 0.273 nan 8.370 nan 0.000 0.460 408 N N 0.399 119.094 118.700 -0.007 0.000 2.336 408 N HA -0.013 4.727 4.740 -0.000 0.000 0.189 408 N C -0.239 175.266 175.510 -0.009 0.000 1.113 408 N CA 0.163 53.208 53.050 -0.008 0.000 0.858 408 N CB 0.493 38.978 38.487 -0.004 0.000 0.970 408 N HN -0.035 nan 8.380 nan 0.000 0.471 409 K N 0.191 120.586 120.400 -0.009 0.000 3.125 409 K HA -0.172 4.148 4.320 -0.000 0.000 0.268 409 K C -0.498 176.101 176.600 -0.002 0.000 1.078 409 K CA 0.516 56.798 56.287 -0.009 0.000 0.775 409 K CB -1.463 31.026 32.500 -0.018 0.000 1.253 409 K HN 0.298 nan 8.250 nan 0.000 0.486 410 R N -0.119 120.383 120.500 0.003 0.000 2.832 410 R HA 0.711 5.051 4.340 -0.000 0.000 0.271 410 R C -0.110 176.199 176.300 0.014 0.000 0.996 410 R CA -1.009 55.097 56.100 0.010 0.000 0.977 410 R CB 1.619 31.926 30.300 0.012 0.000 1.168 410 R HN 0.085 nan 8.270 nan 0.000 0.482 411 I N 1.886 122.467 120.570 0.019 0.000 2.569 411 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 411 I C -0.597 175.537 176.117 0.028 0.000 1.088 411 I CA -0.664 60.648 61.300 0.020 0.000 1.047 411 I CB 2.344 40.351 38.000 0.011 0.000 1.237 411 I HN 0.415 nan 8.210 nan 0.000 0.421 412 M N 8.080 127.709 119.600 0.049 0.000 2.061 412 M HA 0.520 5.000 4.480 -0.000 0.000 0.346 412 M C -0.704 175.589 176.300 -0.011 0.000 1.112 412 M CA -0.362 54.993 55.300 0.091 0.000 1.021 412 M CB 0.747 33.456 32.600 0.180 0.000 1.530 412 M HN 0.668 nan 8.290 nan 0.000 0.437 413 M N 2.797 122.326 119.600 -0.119 0.000 2.727 413 M HA 0.662 5.142 4.480 -0.000 0.000 0.300 413 M C -0.323 175.679 176.300 -0.497 0.000 1.246 413 M CA -0.852 54.201 55.300 -0.412 0.000 0.835 413 M CB 1.840 34.322 32.600 -0.197 0.000 1.755 413 M HN 0.547 nan 8.290 nan 0.000 0.473 414 S N 0.401 115.704 115.700 -0.661 0.000 2.584 414 S HA 0.256 4.726 4.470 -0.000 0.000 0.270 414 S C -0.820 173.822 174.600 0.071 0.000 1.346 414 S CA -0.377 57.716 58.200 -0.179 0.000 1.018 414 S CB 0.390 63.610 63.200 0.033 0.000 0.899 414 S HN 0.712 nan 8.310 nan 0.000 0.542 415 Y N 1.341 121.667 120.300 0.042 0.000 2.353 415 Y HA 0.612 5.162 4.550 -0.000 0.000 0.340 415 Y C -1.108 174.761 175.900 -0.052 0.000 0.972 415 Y CA -1.786 56.319 58.100 0.008 0.000 1.157 415 Y CB 0.279 38.773 38.460 0.056 0.000 1.157 415 Y HN 0.614 nan 8.280 nan 0.000 0.495 416 I N 6.594 126.922 120.570 -0.403 0.000 2.307 416 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 416 I C -0.234 175.394 176.117 -0.815 0.000 1.021 416 I CA -0.303 60.597 61.300 -0.667 0.000 1.224 416 I CB 0.587 38.169 38.000 -0.697 0.000 1.376 416 I HN 0.573 nan 8.210 nan 0.000 0.470 417 N N 5.209 123.340 118.700 -0.948 0.000 2.411 417 N HA 0.671 5.411 4.740 -0.000 0.000 0.259 417 N C -0.257 175.080 175.510 -0.289 0.000 1.103 417 N CA 0.244 52.936 53.050 -0.596 0.000 0.954 417 N CB 0.920 39.142 38.487 -0.443 0.000 1.085 417 N HN 0.815 nan 8.380 nan 0.000 0.485 418 G N 1.842 110.554 108.800 -0.145 0.000 2.328 418 G HA2 0.179 4.139 3.960 -0.000 0.000 0.295 418 G HA3 0.179 4.139 3.960 -0.000 0.000 0.295 418 G C -1.432 173.479 174.900 0.018 0.000 1.413 418 G CA -0.796 44.260 45.100 -0.073 0.000 0.817 418 G HN 0.435 nan 8.290 nan 0.000 0.546 419 K N -0.252 120.190 120.400 0.071 0.000 2.098 419 K HA 0.578 4.898 4.320 -0.000 0.000 0.257 419 K C 0.067 176.760 176.600 0.156 0.000 0.999 419 K CA -0.597 55.756 56.287 0.111 0.000 0.924 419 K CB 1.591 34.163 32.500 0.121 0.000 1.028 419 K HN 0.317 nan 8.250 nan 0.000 0.466 420 L N 1.634 122.945 121.223 0.147 0.000 2.439 420 L HA 0.004 4.344 4.340 -0.000 0.000 0.269 420 L C 1.566 178.555 176.870 0.199 0.000 1.179 420 L CA 0.011 54.956 54.840 0.175 0.000 0.828 420 L CB 0.866 43.016 42.059 0.151 0.000 1.106 420 L HN 0.887 nan 8.230 nan 0.000 0.467 421 A N 2.915 125.874 122.820 0.231 0.000 1.908 421 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 421 A C 2.204 179.882 177.584 0.158 0.000 1.181 421 A CA 1.797 53.943 52.037 0.181 0.000 0.627 421 A CB -0.489 18.627 19.000 0.194 0.000 0.818 421 A HN 0.896 nan 8.150 nan 0.000 0.445 422 K N -0.762 119.773 120.400 0.224 0.000 2.228 422 K HA -0.242 4.078 4.320 -0.000 0.000 0.205 422 K C 0.464 177.221 176.600 0.262 0.000 1.045 422 K CA 1.907 58.383 56.287 0.315 0.000 0.931 422 K CB -0.199 32.456 32.500 0.260 0.000 0.727 422 K HN 0.434 nan 8.250 nan 0.000 0.458 423 D N -0.603 119.899 120.400 0.170 0.000 2.389 423 D HA -0.024 4.616 4.640 -0.000 0.000 0.206 423 D C 1.313 177.679 176.300 0.110 0.000 1.055 423 D CA 0.704 54.777 54.000 0.122 0.000 0.856 423 D CB 0.888 41.747 40.800 0.099 0.000 0.957 423 D HN 0.245 nan 8.370 nan 0.000 0.509 424 V N -1.777 118.204 119.914 0.112 0.000 3.398 424 V HA 0.309 4.429 4.120 -0.000 0.000 0.298 424 V C 1.768 177.875 176.094 0.022 0.000 1.496 424 V CA -0.302 62.049 62.300 0.084 0.000 1.044 424 V CB 0.075 31.980 31.823 0.138 0.000 0.880 424 V HN -0.032 nan 8.190 nan 0.000 0.443 425 I N 0.925 121.497 120.570 0.003 0.000 2.353 425 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 425 I C 2.476 178.555 176.117 -0.064 0.000 1.119 425 I CA 1.692 62.942 61.300 -0.084 0.000 1.417 425 I CB 0.264 38.165 38.000 -0.166 0.000 1.078 425 I HN 0.379 nan 8.210 nan 0.000 0.421 426 E N 0.190 120.391 120.200 0.003 0.000 2.208 426 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 426 E C 0.728 177.331 176.600 0.005 0.000 0.988 426 E CA 0.862 57.273 56.400 0.019 0.000 0.828 426 E CB 0.091 29.837 29.700 0.078 0.000 0.763 426 E HN 0.496 nan 8.360 nan 0.000 0.478 427 D N 0.158 120.563 120.400 0.008 0.000 2.340 427 D HA 0.022 4.662 4.640 -0.000 0.000 0.217 427 D C -0.074 176.223 176.300 -0.006 0.000 1.081 427 D CA 0.280 54.284 54.000 0.007 0.000 0.842 427 D CB 0.251 41.063 40.800 0.020 0.000 0.934 427 D HN -0.034 nan 8.370 nan 0.000 0.511 428 N N 1.101 119.782 118.700 -0.032 0.000 2.824 428 N HA -0.015 4.725 4.740 -0.000 0.000 0.224 428 N C 0.501 175.947 175.510 -0.107 0.000 1.418 428 N CA -0.166 52.846 53.050 -0.062 0.000 0.743 428 N CB 0.234 38.683 38.487 -0.064 0.000 1.395 428 N HN -0.244 nan 8.380 nan 0.000 0.548 429 L N 0.269 121.443 121.223 -0.080 0.000 2.456 429 L HA -0.031 4.309 4.340 -0.000 0.000 0.224 429 L C 1.749 178.563 176.870 -0.093 0.000 1.148 429 L CA 1.072 55.864 54.840 -0.081 0.000 0.825 429 L CB -1.118 40.909 42.059 -0.053 0.000 0.937 429 L HN 0.493 nan 8.230 nan 0.000 0.450 430 D N 1.332 121.663 120.400 -0.116 0.000 2.158 430 D HA -0.255 4.385 4.640 -0.000 0.000 0.197 430 D C 2.032 178.252 176.300 -0.134 0.000 0.995 430 D CA 1.296 55.220 54.000 -0.126 0.000 0.846 430 D CB -0.048 40.669 40.800 -0.137 0.000 0.941 430 D HN 0.475 nan 8.370 nan 0.000 0.456 431 I N -1.773 118.645 120.570 -0.254 0.000 3.176 431 I HA 0.136 4.305 4.170 -0.000 0.000 0.275 431 I C 1.884 177.880 176.117 -0.201 0.000 1.298 431 I CA 1.053 62.148 61.300 -0.341 0.000 1.445 431 I CB -0.430 37.171 38.000 -0.664 0.000 1.075 431 I HN 0.000 nan 8.210 nan 0.000 0.482 432 A N 0.217 122.973 122.820 -0.107 0.000 2.014 432 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 432 A C 2.229 179.801 177.584 -0.021 0.000 1.163 432 A CA 1.383 53.408 52.037 -0.019 0.000 0.652 432 A CB -1.099 17.922 19.000 0.036 0.000 0.808 432 A HN 0.650 nan 8.150 nan 0.000 0.449 433 Y N 0.576 120.778 120.300 -0.164 0.000 2.133 433 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 433 Y C 2.286 178.043 175.900 -0.239 0.000 1.134 433 Y CA 2.085 60.064 58.100 -0.202 0.000 1.133 433 Y CB -0.007 38.350 38.460 -0.173 0.000 0.987 433 Y HN 0.076 nan 8.280 nan 0.000 0.502 434 K N 0.555 120.927 120.400 -0.046 0.000 2.103 434 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 434 K C 2.116 178.543 176.600 -0.287 0.000 1.048 434 K CA 1.741 57.951 56.287 -0.129 0.000 0.930 434 K CB -0.698 31.764 32.500 -0.064 0.000 0.716 434 K HN 0.477 nan 8.250 nan 0.000 0.444 435 I N 0.136 120.479 120.570 -0.379 0.000 2.226 435 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 435 I C 2.389 178.219 176.117 -0.477 0.000 1.100 435 I CA 1.441 62.393 61.300 -0.580 0.000 1.374 435 I CB -0.617 37.011 38.000 -0.619 0.000 1.057 435 I HN 0.216 nan 8.210 nan 0.000 0.413 436 G N 0.085 108.520 108.800 -0.608 0.000 2.422 436 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 436 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 436 G C 1.523 176.042 174.900 -0.636 0.000 1.146 436 G CA 0.466 44.927 45.100 -1.065 0.000 0.769 436 G HN 0.389 nan 8.290 nan 0.000 0.547 437 E N 0.241 120.122 120.200 -0.532 0.000 2.038 437 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 437 E C 2.582 179.042 176.600 -0.234 0.000 1.000 437 E CA 1.301 57.478 56.400 -0.372 0.000 0.803 437 E CB -0.240 29.288 29.700 -0.286 0.000 0.750 437 E HN 0.685 nan 8.360 nan 0.000 0.448 438 I N -1.552 118.908 120.570 -0.183 0.000 2.676 438 I HA -0.111 4.059 4.170 -0.000 0.000 0.259 438 I C 2.081 178.159 176.117 -0.066 0.000 1.194 438 I CA 0.632 61.895 61.300 -0.062 0.000 1.473 438 I CB -0.286 37.745 38.000 0.050 0.000 1.096 438 I HN -0.100 nan 8.210 nan 0.000 0.443 439 V N 2.481 122.304 119.914 -0.151 0.000 2.407 439 V HA -0.055 4.065 4.120 -0.000 0.000 0.245 439 V C 2.941 178.904 176.094 -0.218 0.000 1.041 439 V CA 2.004 64.190 62.300 -0.190 0.000 1.040 439 V CB -1.189 30.541 31.823 -0.155 0.000 0.671 439 V HN 0.583 nan 8.190 nan 0.000 0.455 440 G N 0.023 108.753 108.800 -0.117 0.000 2.446 440 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 440 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 440 G C 1.635 176.352 174.900 -0.306 0.000 1.168 440 G CA 0.837 45.743 45.100 -0.323 0.000 0.771 440 G HN 0.460 nan 8.290 nan 0.000 0.551 441 K N -0.532 119.751 120.400 -0.196 0.000 2.147 441 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 441 K C 2.401 178.900 176.600 -0.167 0.000 1.049 441 K CA 0.549 56.745 56.287 -0.151 0.000 0.936 441 K CB -0.232 32.249 32.500 -0.032 0.000 0.722 441 K HN 0.165 nan 8.250 nan 0.000 0.446 442 L N 0.742 121.915 121.223 -0.084 0.000 1.994 442 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 442 L C 2.024 178.878 176.870 -0.027 0.000 1.071 442 L CA 1.876 56.739 54.840 0.037 0.000 0.745 442 L CB -0.922 41.186 42.059 0.081 0.000 0.892 442 L HN 0.285 nan 8.230 nan 0.000 0.431 443 H N -1.495 117.444 119.070 -0.218 0.000 2.462 443 H HA -0.125 4.431 4.556 -0.000 0.000 0.292 443 H C 2.025 176.891 175.328 -0.770 0.000 1.049 443 H CA 0.685 56.481 56.048 -0.420 0.000 1.334 443 H CB 0.253 29.766 29.762 -0.415 0.000 1.404 443 H HN 0.258 nan 8.280 nan 0.000 0.544 444 K N 0.923 120.904 120.400 -0.699 0.000 2.209 444 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 444 K C 1.061 177.522 176.600 -0.233 0.000 1.048 444 K CA 1.056 57.118 56.287 -0.375 0.000 0.940 444 K CB 0.242 32.644 32.500 -0.162 0.000 0.729 444 K HN 0.252 nan 8.250 nan 0.000 0.451 445 N N 0.667 119.169 118.700 -0.330 0.000 2.214 445 N HA -0.010 4.730 4.740 -0.000 0.000 0.214 445 N C -0.834 174.616 175.510 -0.100 0.000 1.132 445 N CA 0.348 53.179 53.050 -0.365 0.000 0.856 445 N CB 0.844 38.684 38.487 -1.078 0.000 1.020 445 N HN 0.130 nan 8.380 nan 0.000 0.509 446 D N -0.210 120.172 120.400 -0.030 0.000 3.090 446 D HA -0.142 4.498 4.640 -0.000 0.000 0.215 446 D C -0.198 176.185 176.300 0.138 0.000 1.140 446 D CA 0.515 54.549 54.000 0.055 0.000 0.937 446 D CB -1.366 39.470 40.800 0.060 0.000 1.108 446 D HN 0.165 nan 8.370 nan 0.000 0.420 447 V N 0.634 120.670 119.914 0.204 0.000 2.350 447 V HA 0.431 4.551 4.120 -0.000 0.000 0.276 447 V C 0.031 176.314 176.094 0.316 0.000 1.028 447 V CA -0.752 61.715 62.300 0.278 0.000 0.860 447 V CB 0.859 32.906 31.823 0.373 0.000 0.990 447 V HN 0.037 nan 8.190 nan 0.000 0.453 448 I N 7.379 128.083 120.570 0.223 0.000 2.325 448 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 448 I C 0.235 176.462 176.117 0.182 0.000 1.019 448 I CA -0.015 61.414 61.300 0.215 0.000 1.302 448 I CB 0.564 38.625 38.000 0.102 0.000 1.401 448 I HN 0.731 nan 8.210 nan 0.000 0.485 449 H N 7.649 126.775 119.070 0.094 0.000 2.685 449 H HA 0.278 4.834 4.556 -0.000 0.000 0.286 449 H C -0.091 175.184 175.328 -0.089 0.000 1.102 449 H CA -0.145 55.809 56.048 -0.157 0.000 1.254 449 H CB 0.677 30.195 29.762 -0.406 0.000 1.397 449 H HN 0.478 nan 8.280 nan 0.000 0.473 450 N N 3.847 122.391 118.700 -0.259 0.000 2.375 450 N HA -0.050 4.690 4.740 -0.000 0.000 0.220 450 N C -0.367 175.105 175.510 -0.064 0.000 1.170 450 N CA 0.298 53.301 53.050 -0.077 0.000 0.833 450 N CB 0.346 38.800 38.487 -0.055 0.000 1.069 450 N HN 0.574 nan 8.380 nan 0.000 0.479 451 D N 0.391 120.770 120.400 -0.035 0.000 3.078 451 D HA 0.134 4.774 4.640 -0.000 0.000 0.363 451 D C -0.568 175.935 176.300 0.338 0.000 1.391 451 D CA -0.252 53.795 54.000 0.079 0.000 0.754 451 D CB -0.024 40.733 40.800 -0.071 0.000 1.238 451 D HN 0.032 nan 8.370 nan 0.000 0.500 452 L N 1.905 123.340 121.223 0.353 0.000 2.515 452 L HA 0.281 4.621 4.340 -0.000 0.000 0.281 452 L C 0.850 177.978 176.870 0.429 0.000 1.131 452 L CA 0.363 55.403 54.840 0.334 0.000 0.905 452 L CB 0.162 42.383 42.059 0.270 0.000 1.246 452 L HN 0.236 nan 8.230 nan 0.000 0.463 453 T N -2.367 112.429 114.554 0.403 0.000 2.778 453 T HA 0.305 4.655 4.350 -0.000 0.000 0.293 453 T C 0.747 175.721 174.700 0.457 0.000 1.144 453 T CA -0.045 62.269 62.100 0.356 0.000 1.010 453 T CB 1.735 70.732 68.868 0.214 0.000 1.325 453 T HN 0.400 nan 8.240 nan 0.000 0.515 454 T N -1.761 113.014 114.554 0.368 0.000 3.107 454 T HA 0.196 4.546 4.350 -0.000 0.000 0.249 454 T C 1.463 176.366 174.700 0.338 0.000 1.096 454 T CA 0.293 62.613 62.100 0.367 0.000 1.012 454 T CB -0.431 68.584 68.868 0.246 0.000 0.977 454 T HN 0.418 nan 8.240 nan 0.000 0.527 455 S N 2.013 117.891 115.700 0.297 0.000 2.528 455 S HA 0.154 4.624 4.470 -0.000 0.000 0.219 455 S C 1.331 176.036 174.600 0.175 0.000 0.985 455 S CA -0.129 58.207 58.200 0.227 0.000 0.914 455 S CB -0.095 63.234 63.200 0.215 0.000 0.776 455 S HN 0.496 nan 8.310 nan 0.000 0.526 456 N N 0.515 119.317 118.700 0.170 0.000 2.214 456 N HA 0.302 5.042 4.740 -0.000 0.000 0.214 456 N C -0.902 174.431 175.510 -0.295 0.000 1.132 456 N CA 0.125 53.146 53.050 -0.049 0.000 0.856 456 N CB 0.394 38.807 38.487 -0.122 0.000 1.020 456 N HN 0.291 nan 8.380 nan 0.000 0.509 457 F N 0.277 120.287 119.950 0.100 0.000 2.532 457 F HA 0.552 5.079 4.527 0.000 0.000 0.321 457 F C 0.265 176.156 175.800 0.153 0.000 1.089 457 F CA -0.891 57.180 58.000 0.118 0.000 0.926 457 F CB 2.073 41.134 39.000 0.102 0.000 1.168 457 F HN -0.324 nan 8.300 nan 0.000 0.459 458 I N 2.794 123.579 120.570 0.358 0.000 2.404 458 I HA 0.264 4.434 4.170 -0.000 0.000 0.293 458 I C -1.195 175.157 176.117 0.393 0.000 0.992 458 I CA -0.752 60.716 61.300 0.280 0.000 1.149 458 I CB 1.792 39.863 38.000 0.119 0.000 1.315 458 I HN 0.426 nan 8.210 nan 0.000 0.446 459 F N 6.457 126.505 119.950 0.164 0.000 2.415 459 F HA 0.337 4.864 4.527 -0.000 0.000 0.348 459 F C 0.033 175.902 175.800 0.115 0.000 1.119 459 F CA -0.079 58.016 58.000 0.158 0.000 1.069 459 F CB 0.961 40.026 39.000 0.110 0.000 1.124 459 F HN 0.456 nan 8.300 nan 0.000 0.472 460 D N 3.357 123.448 120.400 -0.515 0.000 3.112 460 D HA 0.211 4.851 4.640 -0.000 0.000 0.212 460 D C 1.220 177.086 176.300 -0.725 0.000 1.376 460 D CA 0.589 54.297 54.000 -0.488 0.000 1.411 460 D CB 0.645 41.334 40.800 -0.186 0.000 0.965 460 D HN 0.478 nan 8.370 nan 0.000 0.192 461 K N -0.087 120.109 120.400 -0.340 0.000 2.161 461 K HA 0.130 4.450 4.320 -0.000 0.000 0.205 461 K C 0.138 176.664 176.600 -0.124 0.000 1.035 461 K CA 0.220 56.361 56.287 -0.245 0.000 0.970 461 K CB 0.129 32.588 32.500 -0.069 0.000 0.866 461 K HN 0.299 nan 8.250 nan 0.000 0.461 462 D N 0.762 121.164 120.400 0.002 0.000 2.478 462 D HA 0.176 4.816 4.640 -0.000 0.000 0.269 462 D C -0.308 176.115 176.300 0.205 0.000 1.232 462 D CA -0.430 53.610 54.000 0.067 0.000 1.059 462 D CB 0.717 41.449 40.800 -0.114 0.000 1.104 462 D HN -0.126 nan 8.370 nan 0.000 0.566 463 L N -0.134 121.206 121.223 0.194 0.000 2.329 463 L HA 0.372 4.712 4.340 -0.000 0.000 0.279 463 L C -1.584 175.373 176.870 0.145 0.000 1.014 463 L CA -0.502 54.544 54.840 0.344 0.000 0.814 463 L CB 0.950 43.169 42.059 0.267 0.000 1.257 463 L HN 0.216 nan 8.230 nan 0.000 0.424 464 Y N 4.999 125.450 120.300 0.252 0.000 2.377 464 Y HA 0.504 5.054 4.550 -0.000 0.000 0.339 464 Y C -0.024 176.000 175.900 0.208 0.000 1.011 464 Y CA -0.557 57.647 58.100 0.173 0.000 1.093 464 Y CB 1.938 40.443 38.460 0.073 0.000 1.201 464 Y HN 0.508 nan 8.280 nan 0.000 0.455 465 I N 5.389 126.082 120.570 0.205 0.000 2.396 465 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 465 I C 0.453 176.531 176.117 -0.066 0.000 0.999 465 I CA -0.271 60.928 61.300 -0.167 0.000 1.310 465 I CB 0.815 38.666 38.000 -0.248 0.000 1.404 465 I HN 0.825 nan 8.210 nan 0.000 0.496 466 I N 2.024 122.500 120.570 -0.157 0.000 4.442 466 I HA 0.472 4.642 4.170 -0.000 0.000 0.331 466 I C -0.560 175.556 176.117 -0.002 0.000 1.364 466 I CA -0.361 60.925 61.300 -0.024 0.000 1.207 466 I CB 0.572 38.574 38.000 0.003 0.000 1.298 466 I HN 0.428 nan 8.210 nan 0.000 0.463 467 D N 0.182 120.560 120.400 -0.036 0.000 2.619 467 D HA 0.514 5.154 4.640 -0.000 0.000 0.241 467 D C -0.815 175.543 176.300 0.095 0.000 1.087 467 D CA -0.548 53.472 54.000 0.032 0.000 0.851 467 D CB 1.941 42.742 40.800 0.001 0.000 1.474 467 D HN 0.099 nan 8.370 nan 0.000 0.478 468 F N 1.696 121.658 119.950 0.019 0.000 2.895 468 F HA 0.333 4.860 4.527 -0.000 0.000 0.334 468 F C 1.478 177.228 175.800 -0.084 0.000 1.252 468 F CA -0.224 57.747 58.000 -0.048 0.000 1.056 468 F CB 0.934 39.970 39.000 0.060 0.000 1.311 468 F HN 0.570 nan 8.300 nan 0.000 0.506 469 G N 0.333 109.179 108.800 0.078 0.000 2.498 469 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.219 469 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.219 469 G C 1.183 176.099 174.900 0.027 0.000 1.119 469 G CA 0.739 45.879 45.100 0.066 0.000 0.766 469 G HN 0.342 nan 8.290 nan 0.000 0.552 470 L N 0.965 122.141 121.223 -0.078 0.000 2.965 470 L HA 0.310 4.650 4.340 -0.000 0.000 0.254 470 L C 1.538 178.351 176.870 -0.095 0.000 1.220 470 L CA -0.660 54.135 54.840 -0.075 0.000 1.023 470 L CB 0.327 42.319 42.059 -0.112 0.000 1.355 470 L HN 0.129 nan 8.230 nan 0.000 0.545 471 G N 1.199 109.951 108.800 -0.079 0.000 2.664 471 G HA2 0.228 4.188 3.960 -0.000 0.000 0.242 471 G HA3 0.228 4.188 3.960 -0.000 0.000 0.242 471 G C -0.464 174.394 174.900 -0.069 0.000 1.225 471 G CA 0.033 44.983 45.100 -0.250 0.000 0.849 471 G HN 0.233 nan 8.290 nan 0.000 0.581 472 K N -0.459 119.911 120.400 -0.049 0.000 2.569 472 K HA 0.354 4.674 4.320 -0.000 0.000 0.259 472 K C -0.851 175.861 176.600 0.185 0.000 0.932 472 K CA -0.923 55.453 56.287 0.149 0.000 0.833 472 K CB 1.161 33.721 32.500 0.099 0.000 1.340 472 K HN 0.527 nan 8.250 nan 0.000 0.429 473 I N 0.866 121.580 120.570 0.241 0.000 2.441 473 I HA 0.613 4.783 4.170 -0.000 0.000 0.287 473 I C -0.247 175.943 176.117 0.122 0.000 1.049 473 I CA 0.190 61.605 61.300 0.192 0.000 1.381 473 I CB 1.425 39.533 38.000 0.181 0.000 1.409 473 I HN 0.521 nan 8.210 nan 0.000 0.523 474 S N 3.306 119.066 115.700 0.100 0.000 2.542 474 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 474 S C -0.048 174.583 174.600 0.051 0.000 1.148 474 S CA -0.565 57.674 58.200 0.066 0.000 0.886 474 S CB 1.021 64.252 63.200 0.052 0.000 1.109 474 S HN 0.860 nan 8.310 nan 0.000 0.458 475 N N 3.233 121.960 118.700 0.045 0.000 2.254 475 N HA 0.156 4.896 4.740 -0.000 0.000 0.190 475 N C -0.144 175.389 175.510 0.040 0.000 1.107 475 N CA -0.116 52.961 53.050 0.044 0.000 0.869 475 N CB -0.339 38.176 38.487 0.047 0.000 0.983 475 N HN 0.381 nan 8.380 nan 0.000 0.487 476 L N 2.018 123.260 121.223 0.031 0.000 2.490 476 L HA 0.058 4.398 4.340 -0.000 0.000 0.274 476 L C 1.138 178.021 176.870 0.021 0.000 1.201 476 L CA 0.551 55.407 54.840 0.026 0.000 0.869 476 L CB 0.199 42.272 42.059 0.023 0.000 1.123 476 L HN 0.048 nan 8.230 nan 0.000 0.484 477 D N 1.390 121.810 120.400 0.034 0.000 2.149 477 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 477 D C 1.709 178.028 176.300 0.032 0.000 0.972 477 D CA 0.889 54.915 54.000 0.045 0.000 0.835 477 D CB 0.307 41.141 40.800 0.057 0.000 0.966 477 D HN 0.577 nan 8.370 nan 0.000 0.476 478 E N 0.812 121.029 120.200 0.028 0.000 2.130 478 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 478 E C 1.500 178.109 176.600 0.015 0.000 0.998 478 E CA 1.067 57.483 56.400 0.026 0.000 0.806 478 E CB -0.001 29.713 29.700 0.023 0.000 0.738 478 E HN 0.229 nan 8.360 nan 0.000 0.459 479 D N -0.258 120.142 120.400 -0.001 0.000 2.149 479 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 479 D C 1.602 177.862 176.300 -0.066 0.000 0.972 479 D CA 0.843 54.834 54.000 -0.015 0.000 0.835 479 D CB -0.011 40.783 40.800 -0.009 0.000 0.966 479 D HN 0.114 nan 8.370 nan 0.000 0.476 480 K N 0.695 121.015 120.400 -0.134 0.000 2.062 480 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 480 K C 2.115 178.688 176.600 -0.044 0.000 1.051 480 K CA 0.914 57.001 56.287 -0.333 0.000 0.941 480 K CB 0.018 32.309 32.500 -0.348 0.000 0.719 480 K HN -0.020 nan 8.250 nan 0.000 0.440 481 A N 0.989 123.834 122.820 0.041 0.000 1.865 481 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 481 A C 2.336 179.978 177.584 0.097 0.000 1.191 481 A CA 1.689 53.787 52.037 0.101 0.000 0.623 481 A CB -0.911 18.142 19.000 0.089 0.000 0.826 481 A HN 0.072 nan 8.150 nan 0.000 0.444 482 V N 0.593 120.544 119.914 0.061 0.000 2.380 482 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 482 V C 2.340 178.485 176.094 0.085 0.000 1.063 482 V CA 2.489 64.823 62.300 0.056 0.000 1.055 482 V CB -0.914 30.927 31.823 0.030 0.000 0.657 482 V HN 0.610 nan 8.190 nan 0.000 0.455 483 D N 0.067 120.531 120.400 0.107 0.000 2.092 483 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 483 D C 2.055 178.476 176.300 0.202 0.000 0.994 483 D CA 1.433 55.542 54.000 0.182 0.000 0.828 483 D CB -0.211 40.768 40.800 0.299 0.000 0.963 483 D HN 0.364 nan 8.370 nan 0.000 0.450 484 L N 0.653 122.002 121.223 0.211 0.000 2.131 484 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 484 L C 2.630 179.610 176.870 0.184 0.000 1.092 484 L CA 0.833 55.798 54.840 0.207 0.000 0.759 484 L CB -0.696 41.504 42.059 0.236 0.000 0.903 484 L HN 0.234 nan 8.230 nan 0.000 0.435 485 I N -2.811 117.834 120.570 0.126 0.000 2.252 485 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 485 I C 2.403 178.530 176.117 0.018 0.000 1.102 485 I CA 1.085 62.415 61.300 0.051 0.000 1.385 485 I CB -0.376 37.638 38.000 0.023 0.000 1.064 485 I HN -0.138 nan 8.210 nan 0.000 0.414 486 V N 1.206 121.152 119.914 0.053 0.000 2.287 486 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 486 V C 2.453 178.576 176.094 0.048 0.000 1.053 486 V CA 2.565 64.890 62.300 0.041 0.000 1.027 486 V CB -0.937 30.928 31.823 0.069 0.000 0.646 486 V HN 0.598 nan 8.190 nan 0.000 0.447 487 F N 0.959 120.873 119.950 -0.061 0.000 2.075 487 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 487 F C 2.464 178.179 175.800 -0.140 0.000 1.113 487 F CA 2.351 60.275 58.000 -0.127 0.000 1.218 487 F CB -0.464 38.357 39.000 -0.298 0.000 0.984 487 F HN -0.019 nan 8.300 nan 0.000 0.472 488 K N 0.520 120.829 120.400 -0.153 0.000 2.015 488 K HA -0.299 4.021 4.320 -0.000 0.000 0.220 488 K C 2.205 178.661 176.600 -0.240 0.000 1.055 488 K CA 2.461 58.559 56.287 -0.315 0.000 0.951 488 K CB -0.288 31.980 32.500 -0.387 0.000 0.725 488 K HN 0.236 nan 8.250 nan 0.000 0.449 489 K N -0.302 119.979 120.400 -0.198 0.000 2.044 489 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 489 K C 2.182 178.669 176.600 -0.188 0.000 1.049 489 K CA 1.430 57.600 56.287 -0.195 0.000 0.927 489 K CB -0.236 32.178 32.500 -0.144 0.000 0.713 489 K HN 0.287 nan 8.250 nan 0.000 0.443 490 A N 1.026 123.743 122.820 -0.172 0.000 1.908 490 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 490 A C 2.389 179.902 177.584 -0.118 0.000 1.181 490 A CA 1.531 53.486 52.037 -0.137 0.000 0.627 490 A CB -0.693 18.247 19.000 -0.101 0.000 0.818 490 A HN 0.094 nan 8.150 nan 0.000 0.445 491 V N 0.208 119.981 119.914 -0.236 0.000 2.407 491 V HA -0.216 3.903 4.120 -0.000 0.000 0.248 491 V C 2.446 178.618 176.094 0.131 0.000 1.055 491 V CA 1.736 63.993 62.300 -0.072 0.000 1.049 491 V CB -0.606 31.058 31.823 -0.264 0.000 0.662 491 V HN 0.649 nan 8.190 nan 0.000 0.455 492 L N 0.655 121.868 121.223 -0.015 0.000 2.131 492 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 492 L C 2.498 179.246 176.870 -0.203 0.000 1.092 492 L CA 2.641 57.282 54.840 -0.332 0.000 0.759 492 L CB -0.478 41.148 42.059 -0.722 0.000 0.903 492 L HN 0.641 nan 8.230 nan 0.000 0.435 493 S N -2.686 112.905 115.700 -0.181 0.000 2.421 493 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 493 S C 1.882 176.468 174.600 -0.024 0.000 1.035 493 S CA 0.965 58.999 58.200 -0.275 0.000 0.953 493 S CB -0.245 62.671 63.200 -0.472 0.000 0.810 493 S HN 0.519 nan 8.310 nan 0.000 0.497 494 T N -0.514 114.093 114.554 0.088 0.000 3.014 494 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 494 T C -0.024 174.501 174.700 -0.291 0.000 1.060 494 T CA -0.001 62.142 62.100 0.071 0.000 1.040 494 T CB -0.188 68.816 68.868 0.228 0.000 0.971 494 T HN 0.574 nan 8.240 nan 0.000 0.497 495 H N 0.742 119.816 119.070 0.006 0.000 2.471 495 H HA 0.322 4.878 4.556 -0.000 0.000 0.234 495 H C 0.825 176.123 175.328 -0.050 0.000 1.388 495 H CA -0.433 55.571 56.048 -0.073 0.000 1.198 495 H CB -0.065 29.686 29.762 -0.019 0.000 1.714 495 H HN 0.576 nan 8.280 nan 0.000 0.536 496 H N -0.914 118.191 119.070 0.060 0.000 2.389 496 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 496 H C 1.225 176.595 175.328 0.071 0.000 1.081 496 H CA 1.324 57.387 56.048 0.025 0.000 1.345 496 H CB 0.125 29.838 29.762 -0.082 0.000 1.393 496 H HN 0.323 nan 8.280 nan 0.000 0.520 497 E N 0.581 120.681 120.200 -0.166 0.000 2.219 497 E HA -0.138 4.212 4.350 -0.000 0.000 0.198 497 E C 1.370 177.996 176.600 0.043 0.000 0.998 497 E CA 1.448 57.829 56.400 -0.033 0.000 0.818 497 E CB 0.060 29.691 29.700 -0.116 0.000 0.741 497 E HN 0.384 nan 8.360 nan 0.000 0.477 498 K N -1.206 119.239 120.400 0.074 0.000 2.564 498 K HA 0.219 4.539 4.320 -0.000 0.000 0.201 498 K C 0.426 177.093 176.600 0.112 0.000 1.086 498 K CA -0.339 55.997 56.287 0.081 0.000 1.062 498 K CB -0.126 32.402 32.500 0.048 0.000 0.849 498 K HN 0.050 nan 8.250 nan 0.000 0.529 499 F N 1.430 121.399 119.950 0.031 0.000 2.025 499 F HA -0.313 4.214 4.527 -0.000 0.000 0.297 499 F C 1.459 177.302 175.800 0.072 0.000 1.132 499 F CA 2.119 60.135 58.000 0.026 0.000 1.191 499 F CB -0.041 38.959 39.000 -0.001 0.000 0.963 499 F HN 0.122 nan 8.300 nan 0.000 0.481 500 D N 0.230 120.639 120.400 0.015 0.000 2.204 500 D HA -0.297 4.343 4.640 -0.000 0.000 0.189 500 D C 2.132 178.368 176.300 -0.107 0.000 1.006 500 D CA 2.179 56.139 54.000 -0.066 0.000 0.855 500 D CB -0.635 40.235 40.800 0.117 0.000 0.946 500 D HN 0.448 nan 8.370 nan 0.000 0.448 501 E N 0.738 120.914 120.200 -0.040 0.000 2.077 501 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 501 E C 2.332 178.910 176.600 -0.036 0.000 0.989 501 E CA 0.806 57.191 56.400 -0.025 0.000 0.800 501 E CB -0.346 29.348 29.700 -0.009 0.000 0.746 501 E HN 0.528 nan 8.360 nan 0.000 0.452 502 I N -2.070 118.464 120.570 -0.060 0.000 2.226 502 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 502 I C 2.191 178.354 176.117 0.076 0.000 1.100 502 I CA 1.221 62.509 61.300 -0.019 0.000 1.374 502 I CB -0.828 37.134 38.000 -0.063 0.000 1.057 502 I HN 0.151 nan 8.210 nan 0.000 0.413 503 W N 2.497 123.634 121.300 -0.272 0.000 2.355 503 W HA -0.202 4.458 4.660 -0.000 0.000 0.309 503 W C 2.628 179.138 176.519 -0.017 0.000 1.206 503 W CA 2.168 59.406 57.345 -0.178 0.000 1.284 503 W CB -0.326 28.836 29.460 -0.498 0.000 1.145 503 W HN 0.214 nan 8.180 nan 0.000 0.502 504 E N 0.403 120.579 120.200 -0.040 0.000 2.070 504 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 504 E C 2.155 178.678 176.600 -0.129 0.000 1.004 504 E CA 2.028 58.352 56.400 -0.127 0.000 0.805 504 E CB -0.418 29.254 29.700 -0.046 0.000 0.744 504 E HN 0.241 nan 8.360 nan 0.000 0.451 505 R N -0.918 119.557 120.500 -0.042 0.000 2.153 505 R HA -0.049 4.291 4.340 -0.000 0.000 0.218 505 R C 2.416 178.688 176.300 -0.048 0.000 1.072 505 R CA 0.923 57.023 56.100 0.001 0.000 0.990 505 R CB -0.515 29.813 30.300 0.047 0.000 0.889 505 R HN 0.283 nan 8.270 nan 0.000 0.452 506 F N 1.883 121.729 119.950 -0.173 0.000 2.134 506 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 506 F C 1.893 177.479 175.800 -0.357 0.000 1.097 506 F CA 1.355 59.211 58.000 -0.241 0.000 1.264 506 F CB -0.138 38.820 39.000 -0.070 0.000 1.001 506 F HN -0.140 nan 8.300 nan 0.000 0.479 507 L N 0.116 121.120 121.223 -0.365 0.000 2.093 507 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 507 L C 2.429 178.998 176.870 -0.502 0.000 1.085 507 L CA 1.375 55.934 54.840 -0.468 0.000 0.755 507 L CB -0.804 40.934 42.059 -0.534 0.000 0.904 507 L HN 0.171 nan 8.230 nan 0.000 0.435 508 E N 0.152 120.110 120.200 -0.404 0.000 2.085 508 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 508 E C 2.179 178.452 176.600 -0.546 0.000 0.994 508 E CA 1.286 57.488 56.400 -0.330 0.000 0.801 508 E CB -0.247 29.440 29.700 -0.021 0.000 0.743 508 E HN 0.589 nan 8.360 nan 0.000 0.453 509 G N 0.081 108.333 108.800 -0.914 0.000 2.394 509 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 509 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 509 G C 1.361 175.803 174.900 -0.763 0.000 1.165 509 G CA 0.496 44.808 45.100 -1.313 0.000 0.784 509 G HN 0.233 nan 8.290 nan 0.000 0.535 510 Y N 1.423 121.202 120.300 -0.868 0.000 2.151 510 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 510 Y C 2.761 178.391 175.900 -0.450 0.000 1.166 510 Y CA 2.155 59.869 58.100 -0.643 0.000 1.163 510 Y CB -0.143 37.925 38.460 -0.655 0.000 0.974 510 Y HN 0.204 nan 8.280 nan 0.000 0.511 511 K N -0.697 119.351 120.400 -0.588 0.000 2.057 511 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 511 K C 2.219 178.520 176.600 -0.499 0.000 1.050 511 K CA 1.427 57.187 56.287 -0.878 0.000 0.935 511 K CB -0.198 31.568 32.500 -1.222 0.000 0.715 511 K HN 0.257 nan 8.250 nan 0.000 0.439 512 S N 0.237 115.694 115.700 -0.404 0.000 2.380 512 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 512 S C 1.814 176.300 174.600 -0.190 0.000 1.043 512 S CA 1.652 59.705 58.200 -0.245 0.000 1.038 512 S CB -0.065 63.001 63.200 -0.224 0.000 0.872 512 S HN 0.171 nan 8.310 nan 0.000 0.456 513 V N -1.917 117.858 119.914 -0.231 0.000 2.908 513 V HA 0.217 4.337 4.120 -0.000 0.000 0.240 513 V C 0.352 176.403 176.094 -0.072 0.000 1.117 513 V CA 0.175 62.383 62.300 -0.154 0.000 1.133 513 V CB -0.107 31.604 31.823 -0.186 0.000 0.857 513 V HN 0.525 nan 8.190 nan 0.000 0.478 514 Y N 2.383 122.488 120.300 -0.326 0.000 2.353 514 Y HA 0.261 4.810 4.550 -0.000 0.000 0.340 514 Y C 1.205 177.068 175.900 -0.061 0.000 0.972 514 Y CA -1.062 56.877 58.100 -0.267 0.000 1.157 514 Y CB 1.199 39.353 38.460 -0.510 0.000 1.157 514 Y HN 0.394 nan 8.280 nan 0.000 0.495 515 D N 3.062 123.334 120.400 -0.213 0.000 2.312 515 D HA -0.124 4.516 4.640 -0.000 0.000 0.211 515 D C 0.990 177.084 176.300 -0.344 0.000 0.964 515 D CA 0.932 54.851 54.000 -0.135 0.000 0.877 515 D CB -0.007 40.725 40.800 -0.114 0.000 0.924 515 D HN 0.535 nan 8.370 nan 0.000 0.515 516 R N 0.385 120.393 120.500 -0.820 0.000 2.335 516 R HA 0.099 4.439 4.340 -0.000 0.000 0.223 516 R C 1.423 177.434 176.300 -0.481 0.000 0.940 516 R CA -0.024 55.649 56.100 -0.711 0.000 1.086 516 R CB -0.284 29.564 30.300 -0.752 0.000 1.073 516 R HN 0.440 nan 8.270 nan 0.000 0.504 517 W N 1.075 122.155 121.300 -0.366 0.000 2.321 517 W HA -0.205 4.455 4.660 -0.000 0.000 0.306 517 W C 0.737 177.311 176.519 0.091 0.000 1.217 517 W CA 0.916 58.263 57.345 0.003 0.000 1.257 517 W CB -0.695 28.749 29.460 -0.027 0.000 1.145 517 W HN 0.123 nan 8.180 nan 0.000 0.509 518 E N 0.757 120.367 120.200 -0.982 0.000 2.077 518 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 518 E C 2.159 178.580 176.600 -0.298 0.000 0.989 518 E CA 1.881 57.775 56.400 -0.843 0.000 0.800 518 E CB -0.260 28.767 29.700 -1.121 0.000 0.746 518 E HN 0.207 nan 8.360 nan 0.000 0.452 519 I N 1.345 121.769 120.570 -0.243 0.000 2.163 519 I HA -0.287 3.882 4.170 -0.000 0.000 0.243 519 I C 2.409 178.530 176.117 0.006 0.000 1.085 519 I CA 1.163 62.399 61.300 -0.106 0.000 1.347 519 I CB -0.361 37.582 38.000 -0.096 0.000 1.044 519 I HN 0.246 nan 8.210 nan 0.000 0.408 520 I N -2.049 118.575 120.570 0.091 0.000 2.716 520 I HA -0.117 4.053 4.170 -0.000 0.000 0.259 520 I C 2.345 178.580 176.117 0.197 0.000 1.172 520 I CA 1.207 62.608 61.300 0.168 0.000 1.478 520 I CB -0.542 37.619 38.000 0.267 0.000 1.104 520 I HN 0.166 nan 8.210 nan 0.000 0.439 521 L N 1.291 122.650 121.223 0.226 0.000 2.131 521 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 521 L C 2.594 179.574 176.870 0.183 0.000 1.092 521 L CA 1.644 56.637 54.840 0.255 0.000 0.759 521 L CB -0.136 42.110 42.059 0.312 0.000 0.903 521 L HN 0.306 nan 8.230 nan 0.000 0.435 522 E N -0.442 119.821 120.200 0.105 0.000 2.170 522 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 522 E C 1.856 178.503 176.600 0.078 0.000 0.981 522 E CA 0.541 56.987 56.400 0.077 0.000 0.830 522 E CB -0.084 29.630 29.700 0.023 0.000 0.775 522 E HN 0.274 nan 8.360 nan 0.000 0.470 523 L N 0.244 121.514 121.223 0.079 0.000 2.275 523 L HA -0.002 4.338 4.340 -0.000 0.000 0.215 523 L C 1.895 178.816 176.870 0.084 0.000 1.119 523 L CA 1.509 56.392 54.840 0.071 0.000 0.790 523 L CB -0.439 41.663 42.059 0.070 0.000 0.919 523 L HN 0.276 nan 8.230 nan 0.000 0.443 524 M N -0.915 118.755 119.600 0.117 0.000 2.080 524 M HA -0.274 4.206 4.480 -0.000 0.000 0.260 524 M C 2.152 178.506 176.300 0.090 0.000 1.068 524 M CA 1.855 57.228 55.300 0.122 0.000 1.109 524 M CB -0.329 32.383 32.600 0.187 0.000 1.342 524 M HN 0.232 nan 8.290 nan 0.000 0.405 525 K N 0.005 120.461 120.400 0.094 0.000 2.009 525 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 525 K C 1.628 178.255 176.600 0.046 0.000 1.049 525 K CA 1.922 58.251 56.287 0.070 0.000 0.929 525 K CB -0.482 32.063 32.500 0.075 0.000 0.714 525 K HN 0.265 nan 8.250 nan 0.000 0.440 526 D N 0.726 121.153 120.400 0.046 0.000 2.178 526 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 526 D C 1.675 177.989 176.300 0.024 0.000 0.980 526 D CA 0.795 54.815 54.000 0.034 0.000 0.842 526 D CB 0.172 40.993 40.800 0.036 0.000 0.948 526 D HN -0.041 nan 8.370 nan 0.000 0.472 527 V N 0.231 120.163 119.914 0.030 0.000 2.488 527 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 527 V C 2.305 178.402 176.094 0.005 0.000 1.046 527 V CA 1.470 63.782 62.300 0.020 0.000 1.053 527 V CB -0.513 31.327 31.823 0.029 0.000 0.679 527 V HN 0.195 nan 8.190 nan 0.000 0.458 528 E N 0.310 120.515 120.200 0.010 0.000 2.204 528 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 528 E C 1.692 178.277 176.600 -0.026 0.000 0.990 528 E CA 0.632 57.027 56.400 -0.008 0.000 0.821 528 E CB -0.097 29.603 29.700 -0.001 0.000 0.750 528 E HN 0.546 nan 8.360 nan 0.000 0.477 529 R N 0.990 121.475 120.500 -0.025 0.000 2.858 529 R HA 0.074 4.414 4.340 -0.000 0.000 0.228 529 R C 0.225 176.467 176.300 -0.097 0.000 1.471 529 R CA 0.108 56.174 56.100 -0.056 0.000 1.342 529 R CB -0.115 30.165 30.300 -0.034 0.000 1.152 529 R HN -0.057 nan 8.270 nan 0.000 0.521 530 R N 0.648 121.101 120.500 -0.078 0.000 4.141 530 R HA 0.243 4.583 4.340 -0.000 0.000 0.281 530 R C -0.099 176.137 176.300 -0.106 0.000 1.608 530 R CA -0.224 55.821 56.100 -0.092 0.000 1.426 530 R CB 0.696 30.969 30.300 -0.044 0.000 1.432 530 R HN 0.176 nan 8.270 nan 0.000 0.708 531 A N 0.580 123.308 122.820 -0.154 0.000 2.889 531 A HA 0.590 4.910 4.320 -0.000 0.000 0.235 531 A C -0.248 177.217 177.584 -0.198 0.000 1.307 531 A CA -0.755 51.204 52.037 -0.130 0.000 0.917 531 A CB 0.739 19.683 19.000 -0.093 0.000 1.546 531 A HN 0.200 nan 8.150 nan 0.000 0.472 532 R N -0.144 120.284 120.500 -0.121 0.000 2.390 532 R HA 0.250 4.590 4.340 -0.000 0.000 0.291 532 R C -1.420 174.821 176.300 -0.099 0.000 1.070 532 R CA -0.016 56.030 56.100 -0.090 0.000 1.014 532 R CB 0.037 30.339 30.300 0.003 0.000 1.007 532 R HN 0.607 nan 8.270 nan 0.000 0.466 533 Y N 2.167 122.482 120.300 0.025 0.000 2.721 533 Y HA -0.051 4.499 4.550 -0.000 0.000 0.329 533 Y C 1.373 177.286 175.900 0.021 0.000 1.211 533 Y CA 0.833 58.947 58.100 0.023 0.000 1.512 533 Y CB 0.037 38.510 38.460 0.022 0.000 1.249 533 Y HN 0.370 nan 8.280 nan 0.000 0.549 534 V N 0.000 120.013 119.914 0.165 0.000 2.409 534 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 534 V CA 0.000 62.361 62.300 0.101 0.000 1.235 534 V CB 0.000 31.880 31.823 0.095 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556