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 1rf5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.277 176.300 -0.039 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1 M CB 0.000 32.527 32.600 -0.121 0.000 1.302 2 K N 2.700 123.078 120.400 -0.037 0.000 2.284 2 K HA 0.568 4.888 4.320 -0.000 0.000 0.287 2 K C -0.948 175.650 176.600 -0.004 0.000 1.081 2 K CA -0.351 55.928 56.287 -0.014 0.000 0.910 2 K CB 0.910 33.403 32.500 -0.012 0.000 1.088 2 K HN 0.621 nan 8.250 nan 0.000 0.478 3 L N 2.996 124.236 121.223 0.029 0.000 2.453 3 L HA 0.139 4.479 4.340 -0.000 0.000 0.261 3 L C 0.414 177.316 176.870 0.054 0.000 1.179 3 L CA -0.397 54.485 54.840 0.071 0.000 0.813 3 L CB 0.251 42.377 42.059 0.111 0.000 1.110 3 L HN 0.310 nan 8.230 nan 0.000 0.466 4 K N 1.042 121.483 120.400 0.070 0.000 2.416 4 K HA 0.216 4.536 4.320 -0.000 0.000 0.283 4 K C -0.175 176.441 176.600 0.027 0.000 1.037 4 K CA -0.038 56.272 56.287 0.038 0.000 0.995 4 K CB 0.457 32.979 32.500 0.035 0.000 0.938 4 K HN 0.632 nan 8.250 nan 0.000 0.475 5 T N -0.038 114.522 114.554 0.011 0.000 2.924 5 T HA 0.380 4.730 4.350 -0.000 0.000 0.291 5 T C -0.245 174.450 174.700 -0.008 0.000 1.045 5 T CA -1.163 60.941 62.100 0.008 0.000 1.015 5 T CB 1.118 69.996 68.868 0.016 0.000 1.103 5 T HN 0.608 nan 8.240 nan 0.000 0.496 6 N N -0.154 118.541 118.700 -0.008 0.000 2.610 6 N HA -0.146 4.594 4.740 -0.000 0.000 0.271 6 N C -1.420 174.061 175.510 -0.048 0.000 1.146 6 N CA 0.117 53.156 53.050 -0.019 0.000 0.711 6 N CB -1.387 37.092 38.487 -0.012 0.000 0.883 6 N HN 0.698 nan 8.380 nan 0.000 0.548 7 I N 1.664 122.201 120.570 -0.055 0.000 2.353 7 I HA 0.299 4.469 4.170 -0.000 0.000 0.293 7 I C 1.762 177.815 176.117 -0.107 0.000 0.992 7 I CA -0.542 60.697 61.300 -0.103 0.000 1.268 7 I CB 1.317 39.266 38.000 -0.085 0.000 1.387 7 I HN 0.404 nan 8.210 nan 0.000 0.478 8 R N 4.368 124.750 120.500 -0.198 0.000 2.112 8 R HA 0.187 4.527 4.340 -0.000 0.000 0.216 8 R C -0.397 175.870 176.300 -0.054 0.000 1.080 8 R CA 0.498 56.514 56.100 -0.140 0.000 0.996 8 R CB -0.202 30.011 30.300 -0.146 0.000 0.902 8 R HN 0.733 nan 8.270 nan 0.000 0.449 9 H N -1.728 117.364 119.070 0.037 0.000 3.037 9 H HA 0.642 5.198 4.556 -0.000 0.000 0.355 9 H C -1.783 173.587 175.328 0.068 0.000 1.263 9 H CA -1.379 54.722 56.048 0.087 0.000 1.129 9 H CB 1.416 31.282 29.762 0.172 0.000 1.861 9 H HN -0.026 nan 8.280 nan 0.000 0.546 10 L N 2.285 123.632 121.223 0.206 0.000 2.446 10 L HA 0.468 4.808 4.340 -0.000 0.000 0.268 10 L C -1.484 175.311 176.870 -0.125 0.000 0.975 10 L CA -0.001 54.880 54.840 0.068 0.000 0.848 10 L CB 1.175 43.232 42.059 -0.004 0.000 1.225 10 L HN 0.895 nan 8.230 nan 0.000 0.410 11 H N 2.036 121.130 119.070 0.041 0.000 2.894 11 H HA 0.928 5.484 4.556 -0.000 0.000 0.367 11 H C -0.025 175.283 175.328 -0.034 0.000 1.144 11 H CA -0.234 55.812 56.048 -0.004 0.000 1.180 11 H CB 2.274 32.022 29.762 -0.023 0.000 1.758 11 H HN 0.754 nan 8.280 nan 0.000 0.541 12 G N 0.684 109.516 108.800 0.053 0.000 2.368 12 G HA2 0.250 4.210 3.960 -0.000 0.000 0.302 12 G HA3 0.250 4.210 3.960 -0.000 0.000 0.302 12 G C -1.913 172.956 174.900 -0.051 0.000 1.329 12 G CA -0.975 44.118 45.100 -0.010 0.000 0.935 12 G HN 0.506 nan 8.290 nan 0.000 0.590 13 I N 0.582 121.116 120.570 -0.062 0.000 2.389 13 I HA 0.542 4.712 4.170 -0.000 0.000 0.288 13 I C -0.278 175.781 176.117 -0.097 0.000 0.999 13 I CA -0.645 60.616 61.300 -0.064 0.000 1.129 13 I CB 1.631 39.610 38.000 -0.034 0.000 1.288 13 I HN 0.417 nan 8.210 nan 0.000 0.444 14 I N 5.858 126.356 120.570 -0.120 0.000 2.603 14 I HA 0.556 4.726 4.170 -0.000 0.000 0.300 14 I C -0.128 175.962 176.117 -0.046 0.000 1.017 14 I CA -0.654 60.557 61.300 -0.147 0.000 1.098 14 I CB 1.546 39.334 38.000 -0.354 0.000 1.279 14 I HN 0.363 nan 8.210 nan 0.000 0.437 15 R N 4.170 124.667 120.500 -0.004 0.000 2.412 15 R HA 0.502 4.842 4.340 -0.000 0.000 0.304 15 R C -0.813 175.537 176.300 0.083 0.000 1.066 15 R CA -0.710 55.413 56.100 0.038 0.000 0.923 15 R CB 1.813 32.127 30.300 0.024 0.000 1.156 15 R HN 0.634 nan 8.270 nan 0.000 0.513 16 V N 1.155 121.141 119.914 0.119 0.000 2.924 16 V HA 0.380 4.500 4.120 -0.000 0.000 0.305 16 V C -2.009 174.077 176.094 -0.013 0.000 1.073 16 V CA -1.857 60.515 62.300 0.119 0.000 1.098 16 V CB 0.098 32.048 31.823 0.211 0.000 1.000 16 V HN 0.492 nan 8.190 nan 0.000 0.484 17 P HA 0.228 nan 4.420 nan 0.000 0.267 17 P C 0.468 177.721 177.300 -0.080 0.000 1.201 17 P CA 0.634 63.652 63.100 -0.136 0.000 0.775 17 P CB 0.119 31.666 31.700 -0.255 0.000 0.854 18 G N 1.020 109.787 108.800 -0.056 0.000 2.636 18 G HA2 0.040 4.000 3.960 -0.000 0.000 0.246 18 G HA3 0.040 4.000 3.960 -0.000 0.000 0.246 18 G C -0.353 174.514 174.900 -0.056 0.000 1.216 18 G CA -0.366 44.709 45.100 -0.042 0.000 0.854 18 G HN 0.538 nan 8.290 nan 0.000 0.572 19 D N -0.198 120.169 120.400 -0.054 0.000 2.389 19 D HA 0.050 4.690 4.640 -0.000 0.000 0.247 19 D C 1.068 177.309 176.300 -0.098 0.000 1.128 19 D CA -0.194 53.762 54.000 -0.073 0.000 0.884 19 D CB 1.026 41.765 40.800 -0.101 0.000 1.194 19 D HN 0.384 nan 8.370 nan 0.000 0.441 20 K N 1.503 121.853 120.400 -0.083 0.000 2.062 20 K HA -0.084 4.235 4.320 -0.000 0.000 0.205 20 K C 1.953 178.529 176.600 -0.040 0.000 1.051 20 K CA 0.725 56.960 56.287 -0.087 0.000 0.941 20 K CB 0.175 32.665 32.500 -0.016 0.000 0.719 20 K HN 0.274 nan 8.250 nan 0.000 0.440 21 S N 0.976 116.656 115.700 -0.035 0.000 2.383 21 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 21 S C 1.859 176.442 174.600 -0.028 0.000 1.026 21 S CA 1.004 59.208 58.200 0.007 0.000 0.981 21 S CB -0.114 63.031 63.200 -0.092 0.000 0.818 21 S HN 0.227 nan 8.310 nan 0.000 0.472 22 I N 1.184 121.655 120.570 -0.165 0.000 2.439 22 I HA -0.088 4.081 4.170 -0.000 0.000 0.251 22 I C 2.301 178.417 176.117 -0.003 0.000 1.139 22 I CA 0.674 61.932 61.300 -0.071 0.000 1.438 22 I CB -0.262 37.675 38.000 -0.104 0.000 1.085 22 I HN 0.160 nan 8.210 nan 0.000 0.427 23 S N -0.514 115.151 115.700 -0.058 0.000 2.382 23 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 23 S C 1.879 176.436 174.600 -0.072 0.000 1.027 23 S CA 1.299 59.446 58.200 -0.088 0.000 0.991 23 S CB -0.418 62.679 63.200 -0.172 0.000 0.823 23 S HN 0.524 nan 8.310 nan 0.000 0.469 24 H N 0.493 119.571 119.070 0.013 0.000 2.363 24 H HA 0.121 4.677 4.556 -0.000 0.000 0.301 24 H C 2.463 177.815 175.328 0.040 0.000 1.074 24 H CA 1.142 57.206 56.048 0.027 0.000 1.354 24 H CB 0.105 29.892 29.762 0.042 0.000 1.397 24 H HN 0.139 nan 8.280 nan 0.000 0.516 25 R N 0.270 120.908 120.500 0.229 0.000 2.148 25 R HA -0.088 4.252 4.340 -0.000 0.000 0.223 25 R C 2.499 178.932 176.300 0.222 0.000 1.088 25 R CA 1.161 57.432 56.100 0.285 0.000 0.985 25 R CB 0.070 30.610 30.300 0.400 0.000 0.880 25 R HN 0.353 nan 8.270 nan 0.000 0.451 26 S N 0.323 116.100 115.700 0.129 0.000 2.402 26 S HA -0.076 4.394 4.470 -0.000 0.000 0.229 26 S C 1.853 176.459 174.600 0.010 0.000 1.021 26 S CA 0.798 59.062 58.200 0.106 0.000 0.974 26 S CB -0.123 63.131 63.200 0.090 0.000 0.800 26 S HN 0.096 nan 8.310 nan 0.000 0.484 27 I N 1.694 122.222 120.570 -0.070 0.000 2.406 27 I HA 0.074 4.244 4.170 -0.000 0.000 0.249 27 I C 2.371 178.174 176.117 -0.522 0.000 1.122 27 I CA 0.602 61.769 61.300 -0.221 0.000 1.431 27 I CB -1.205 36.702 38.000 -0.155 0.000 1.087 27 I HN 0.308 nan 8.210 nan 0.000 0.424 28 I N 0.197 120.480 120.570 -0.479 0.000 2.163 28 I HA -0.278 3.891 4.170 -0.000 0.000 0.240 28 I C 2.481 178.218 176.117 -0.633 0.000 1.081 28 I CA 1.592 62.460 61.300 -0.721 0.000 1.353 28 I CB -0.467 37.190 38.000 -0.572 0.000 1.054 28 I HN -0.026 nan 8.210 nan 0.000 0.407 29 F N 0.876 120.532 119.950 -0.491 0.000 2.234 29 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 29 F C 2.495 177.872 175.800 -0.705 0.000 1.087 29 F CA 1.378 58.939 58.000 -0.733 0.000 1.340 29 F CB -0.700 37.536 39.000 -1.273 0.000 1.031 29 F HN 0.031 nan 8.300 nan 0.000 0.500 30 G N -1.331 107.336 108.800 -0.221 0.000 2.422 30 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 30 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 30 G C 1.759 176.632 174.900 -0.044 0.000 1.140 30 G CA 1.011 46.149 45.100 0.063 0.000 0.775 30 G HN 0.320 nan 8.290 nan 0.000 0.545 31 S N 0.242 115.795 115.700 -0.244 0.000 2.395 31 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 31 S C 2.152 176.689 174.600 -0.104 0.000 1.027 31 S CA 0.327 58.394 58.200 -0.222 0.000 0.965 31 S CB -0.098 62.806 63.200 -0.494 0.000 0.812 31 S HN 0.267 nan 8.310 nan 0.000 0.482 32 L N 1.024 122.158 121.223 -0.147 0.000 2.313 32 L HA 0.176 4.516 4.340 -0.000 0.000 0.214 32 L C 1.293 178.177 176.870 0.023 0.000 1.119 32 L CA -0.023 54.777 54.840 -0.067 0.000 0.809 32 L CB -0.495 41.476 42.059 -0.146 0.000 0.933 32 L HN 0.195 nan 8.230 nan 0.000 0.449 33 A N 0.177 123.042 122.820 0.076 0.000 2.280 33 A HA 0.257 4.577 4.320 -0.000 0.000 0.268 33 A C 0.042 177.704 177.584 0.130 0.000 1.111 33 A CA -0.306 51.841 52.037 0.184 0.000 0.814 33 A CB 0.234 19.478 19.000 0.406 0.000 1.093 33 A HN 0.181 nan 8.150 nan 0.000 0.498 34 E N -0.123 120.154 120.200 0.128 0.000 2.134 34 E HA 0.497 4.847 4.350 -0.000 0.000 0.278 34 E C 0.335 176.981 176.600 0.078 0.000 0.959 34 E CA 0.406 56.858 56.400 0.087 0.000 0.783 34 E CB 1.263 31.007 29.700 0.074 0.000 1.095 34 E HN 1.278 nan 8.360 nan 0.000 0.399 35 G N 3.108 111.944 108.800 0.061 0.000 2.384 35 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.204 35 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.204 35 G C -0.951 173.976 174.900 0.045 0.000 1.237 35 G CA -0.807 44.320 45.100 0.045 0.000 1.060 35 G HN 0.525 nan 8.290 nan 0.000 0.514 36 E N -0.214 120.005 120.200 0.031 0.000 2.191 36 E HA 0.637 4.987 4.350 -0.000 0.000 0.278 36 E C -0.736 175.880 176.600 0.027 0.000 0.972 36 E CA -0.376 56.039 56.400 0.025 0.000 0.804 36 E CB 1.224 30.931 29.700 0.012 0.000 1.110 36 E HN 0.457 nan 8.360 nan 0.000 0.394 37 T N 4.239 118.815 114.554 0.037 0.000 2.812 37 T HA 0.369 4.719 4.350 -0.000 0.000 0.282 37 T C -0.987 173.710 174.700 -0.005 0.000 0.990 37 T CA -0.801 61.327 62.100 0.047 0.000 0.960 37 T CB 1.016 69.983 68.868 0.166 0.000 0.948 37 T HN 0.285 nan 8.240 nan 0.000 0.438 38 K N 2.209 122.590 120.400 -0.031 0.000 2.307 38 K HA 0.639 4.959 4.320 -0.000 0.000 0.263 38 K C -0.925 175.561 176.600 -0.190 0.000 0.973 38 K CA -0.698 55.503 56.287 -0.143 0.000 0.846 38 K CB 1.815 34.244 32.500 -0.119 0.000 1.100 38 K HN 0.305 nan 8.250 nan 0.000 0.438 39 V N 3.969 123.715 119.914 -0.279 0.000 2.398 39 V HA 0.369 4.489 4.120 -0.000 0.000 0.286 39 V C -0.885 175.004 176.094 -0.342 0.000 1.026 39 V CA -0.870 61.321 62.300 -0.182 0.000 0.868 39 V CB 0.180 31.956 31.823 -0.078 0.000 0.982 39 V HN 0.582 nan 8.190 nan 0.000 0.443 40 Y N 1.650 121.950 120.300 0.000 0.000 2.409 40 Y HA 0.443 4.993 4.550 -0.000 0.000 0.339 40 Y C 0.688 176.584 175.900 -0.007 0.000 1.033 40 Y CA -0.838 57.260 58.100 -0.004 0.000 1.094 40 Y CB 1.421 39.877 38.460 -0.006 0.000 1.210 40 Y HN 0.727 nan 8.280 nan 0.000 0.456 41 D N 1.471 121.958 120.400 0.145 0.000 2.699 41 D HA -0.243 4.397 4.640 -0.000 0.000 0.239 41 D C -0.389 175.927 176.300 0.027 0.000 1.136 41 D CA 0.659 54.703 54.000 0.073 0.000 0.668 41 D CB -0.761 40.081 40.800 0.071 0.000 1.060 41 D HN 0.480 nan 8.370 nan 0.000 0.429 42 I N 0.223 120.794 120.570 0.003 0.000 2.779 42 I HA 0.017 4.187 4.170 -0.000 0.000 0.285 42 I C 0.686 176.777 176.117 -0.043 0.000 1.134 42 I CA -0.451 60.832 61.300 -0.029 0.000 1.398 42 I CB 0.687 38.659 38.000 -0.046 0.000 1.404 42 I HN 0.066 nan 8.210 nan 0.000 0.587 43 L N 7.750 128.931 121.223 -0.070 0.000 2.433 43 L HA 0.172 4.512 4.340 -0.000 0.000 0.275 43 L C 0.079 176.902 176.870 -0.079 0.000 1.128 43 L CA 0.128 54.919 54.840 -0.082 0.000 0.875 43 L CB -0.031 41.962 42.059 -0.110 0.000 1.171 43 L HN 0.682 nan 8.230 nan 0.000 0.463 44 R N 4.603 125.071 120.500 -0.054 0.000 4.138 44 R HA 0.246 4.586 4.340 -0.000 0.000 0.206 44 R C 0.279 176.556 176.300 -0.038 0.000 1.667 44 R CA -0.166 55.910 56.100 -0.040 0.000 1.481 44 R CB 0.255 30.543 30.300 -0.019 0.000 1.388 44 R HN 0.762 nan 8.270 nan 0.000 0.776 45 G N -0.248 108.519 108.800 -0.054 0.000 2.597 45 G HA2 0.093 4.053 3.960 -0.000 0.000 0.317 45 G HA3 0.093 4.053 3.960 -0.000 0.000 0.317 45 G C 0.383 175.266 174.900 -0.030 0.000 1.230 45 G CA -0.403 44.671 45.100 -0.043 0.000 0.996 45 G HN 0.160 nan 8.290 nan 0.000 0.490 46 E N -0.308 119.883 120.200 -0.014 0.000 2.208 46 E HA -0.078 4.271 4.350 -0.000 0.000 0.193 46 E C 1.670 178.280 176.600 0.016 0.000 0.988 46 E CA 0.648 57.046 56.400 -0.002 0.000 0.828 46 E CB 0.149 29.848 29.700 -0.002 0.000 0.763 46 E HN 0.447 nan 8.360 nan 0.000 0.478 47 D N -0.181 120.241 120.400 0.037 0.000 2.149 47 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 47 D C 2.015 178.446 176.300 0.217 0.000 0.972 47 D CA 0.612 54.691 54.000 0.132 0.000 0.835 47 D CB 0.048 40.963 40.800 0.191 0.000 0.966 47 D HN 0.044 nan 8.370 nan 0.000 0.476 48 V N 0.819 120.725 119.914 -0.013 0.000 2.548 48 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 48 V C 2.336 178.430 176.094 0.001 0.000 1.055 48 V CA 0.768 62.996 62.300 -0.120 0.000 1.065 48 V CB -0.217 31.453 31.823 -0.255 0.000 0.681 48 V HN 0.109 nan 8.190 nan 0.000 0.462 49 L N 0.018 121.241 121.223 -0.000 0.000 2.201 49 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 49 L C 2.539 179.423 176.870 0.024 0.000 1.105 49 L CA 1.620 56.465 54.840 0.007 0.000 0.775 49 L CB -0.834 41.223 42.059 -0.002 0.000 0.913 49 L HN 0.256 nan 8.230 nan 0.000 0.440 50 S N -1.492 114.228 115.700 0.034 0.000 2.371 50 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 50 S C 1.885 176.509 174.600 0.039 0.000 1.029 50 S CA 1.603 59.812 58.200 0.015 0.000 0.978 50 S CB -0.240 62.958 63.200 -0.005 0.000 0.833 50 S HN 0.484 nan 8.310 nan 0.000 0.466 51 T N 2.313 116.932 114.554 0.107 0.000 2.821 51 T HA 0.024 4.374 4.350 -0.000 0.000 0.267 51 T C 1.799 176.634 174.700 0.227 0.000 1.046 51 T CA 1.061 63.267 62.100 0.177 0.000 1.139 51 T CB -0.274 68.762 68.868 0.280 0.000 0.871 51 T HN 0.288 nan 8.240 nan 0.000 0.454 52 M N 0.616 120.297 119.600 0.136 0.000 2.159 52 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 52 M C 2.542 178.906 176.300 0.105 0.000 1.063 52 M CA 1.392 56.754 55.300 0.105 0.000 1.110 52 M CB -0.199 32.425 32.600 0.039 0.000 1.374 52 M HN 0.088 nan 8.290 nan 0.000 0.411 53 Q N -0.041 119.798 119.800 0.065 0.000 2.187 53 Q HA -0.044 4.295 4.340 -0.000 0.000 0.199 53 Q C 1.776 177.790 176.000 0.023 0.000 0.957 53 Q CA 1.207 57.031 55.803 0.036 0.000 0.857 53 Q CB -0.229 28.515 28.738 0.009 0.000 0.929 53 Q HN 0.330 nan 8.270 nan 0.000 0.453 54 V N 0.122 120.040 119.914 0.008 0.000 2.295 54 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 54 V C 1.768 177.786 176.094 -0.126 0.000 1.049 54 V CA 1.845 64.091 62.300 -0.090 0.000 1.024 54 V CB -0.577 31.144 31.823 -0.171 0.000 0.648 54 V HN 0.329 nan 8.190 nan 0.000 0.447 55 F N -0.199 119.727 119.950 -0.040 0.000 2.234 55 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 55 F C 2.570 178.351 175.800 -0.031 0.000 1.087 55 F CA 1.225 59.201 58.000 -0.040 0.000 1.340 55 F CB -0.288 38.682 39.000 -0.051 0.000 1.031 55 F HN -0.051 nan 8.300 nan 0.000 0.500 56 R N 0.156 120.739 120.500 0.139 0.000 2.115 56 R HA -0.134 4.206 4.340 -0.000 0.000 0.230 56 R C 1.463 177.777 176.300 0.024 0.000 1.111 56 R CA 1.377 57.517 56.100 0.068 0.000 0.976 56 R CB -0.355 29.973 30.300 0.047 0.000 0.870 56 R HN 0.254 nan 8.270 nan 0.000 0.445 57 D N 0.426 120.827 120.400 0.001 0.000 2.269 57 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 57 D C 1.637 177.905 176.300 -0.054 0.000 0.963 57 D CA 0.838 54.821 54.000 -0.028 0.000 0.864 57 D CB 0.162 40.940 40.800 -0.036 0.000 0.936 57 D HN 0.213 nan 8.370 nan 0.000 0.505 58 L N -0.688 120.506 121.223 -0.048 0.000 2.558 58 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 58 L C 1.514 178.365 176.870 -0.031 0.000 1.128 58 L CA 0.522 55.325 54.840 -0.062 0.000 0.868 58 L CB 0.232 42.256 42.059 -0.057 0.000 1.006 58 L HN 0.111 nan 8.230 nan 0.000 0.454 59 G N -0.510 108.289 108.800 -0.001 0.000 2.175 59 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.182 59 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.182 59 G C 0.027 174.947 174.900 0.034 0.000 1.003 59 G CA -0.284 44.818 45.100 0.003 0.000 0.666 59 G HN 0.013 nan 8.290 nan 0.000 0.506 60 V N 1.257 121.213 119.914 0.070 0.000 2.461 60 V HA 0.404 4.524 4.120 -0.000 0.000 0.275 60 V C 0.768 176.889 176.094 0.045 0.000 1.047 60 V CA -0.524 61.819 62.300 0.071 0.000 0.955 60 V CB 1.757 33.651 31.823 0.118 0.000 0.988 60 V HN 0.361 nan 8.190 nan 0.000 0.471 61 E N 4.576 124.791 120.200 0.025 0.000 2.104 61 E HA 0.332 4.682 4.350 -0.000 0.000 0.278 61 E C -1.079 175.523 176.600 0.004 0.000 1.127 61 E CA -0.194 56.214 56.400 0.013 0.000 0.897 61 E CB 0.426 30.131 29.700 0.009 0.000 1.043 61 E HN 0.562 nan 8.360 nan 0.000 0.410 62 I N 4.086 124.658 120.570 0.004 0.000 2.418 62 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 62 I C -0.093 176.017 176.117 -0.011 0.000 1.008 62 I CA -0.399 60.895 61.300 -0.009 0.000 1.104 62 I CB 1.799 39.796 38.000 -0.005 0.000 1.264 62 I HN 0.407 nan 8.210 nan 0.000 0.438 63 E N 5.554 125.740 120.200 -0.022 0.000 2.113 63 E HA 0.156 4.506 4.350 -0.000 0.000 0.273 63 E C -1.192 175.388 176.600 -0.033 0.000 0.924 63 E CA -0.574 55.812 56.400 -0.023 0.000 0.764 63 E CB 1.059 30.745 29.700 -0.022 0.000 1.104 63 E HN 0.411 nan 8.360 nan 0.000 0.406 64 D N 5.106 125.491 120.400 -0.025 0.000 2.456 64 D HA 0.182 4.822 4.640 -0.000 0.000 0.219 64 D C -1.129 175.158 176.300 -0.022 0.000 1.126 64 D CA -0.099 53.884 54.000 -0.028 0.000 0.890 64 D CB 0.380 41.168 40.800 -0.020 0.000 1.025 64 D HN 0.260 nan 8.370 nan 0.000 0.511 65 K N 2.840 123.223 120.400 -0.028 0.000 2.545 65 K HA 0.154 4.474 4.320 -0.000 0.000 0.252 65 K C -0.739 175.854 176.600 -0.013 0.000 0.948 65 K CA -0.524 55.753 56.287 -0.017 0.000 0.827 65 K CB 0.985 33.477 32.500 -0.014 0.000 1.128 65 K HN 0.218 nan 8.250 nan 0.000 0.429 66 D N 3.196 123.595 120.400 -0.002 0.000 2.708 66 D HA -0.203 4.437 4.640 -0.000 0.000 0.236 66 D C 0.596 176.904 176.300 0.013 0.000 1.146 66 D CA 1.534 55.539 54.000 0.009 0.000 0.662 66 D CB -0.999 39.811 40.800 0.017 0.000 1.059 66 D HN 1.123 nan 8.370 nan 0.000 0.428 67 G N -1.847 106.953 108.800 0.001 0.000 2.162 67 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 67 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 67 G C 0.305 175.191 174.900 -0.024 0.000 0.976 67 G CA 0.363 45.464 45.100 0.001 0.000 0.655 67 G HN 0.608 nan 8.290 nan 0.000 0.533 68 V N 2.480 122.358 119.914 -0.059 0.000 2.448 68 V HA 0.573 4.693 4.120 -0.000 0.000 0.295 68 V C 0.297 176.290 176.094 -0.168 0.000 1.025 68 V CA -1.133 61.064 62.300 -0.172 0.000 0.859 68 V CB 1.771 33.492 31.823 -0.169 0.000 0.988 68 V HN 0.237 nan 8.190 nan 0.000 0.431 69 I N 3.820 124.262 120.570 -0.213 0.000 2.304 69 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 69 I C 0.310 176.335 176.117 -0.153 0.000 1.018 69 I CA 0.022 61.236 61.300 -0.144 0.000 1.260 69 I CB 1.059 38.993 38.000 -0.110 0.000 1.390 69 I HN 0.532 nan 8.210 nan 0.000 0.475 70 T N 6.035 120.528 114.554 -0.102 0.000 2.772 70 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 70 T C 0.094 174.766 174.700 -0.046 0.000 0.994 70 T CA -0.468 61.586 62.100 -0.077 0.000 0.951 70 T CB 1.679 70.511 68.868 -0.060 0.000 0.933 70 T HN 0.259 nan 8.240 nan 0.000 0.447 71 V N 4.440 124.333 119.914 -0.034 0.000 2.417 71 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 71 V C -0.213 175.880 176.094 -0.003 0.000 1.024 71 V CA -0.991 61.295 62.300 -0.023 0.000 0.861 71 V CB 1.693 33.495 31.823 -0.036 0.000 0.985 71 V HN 0.717 nan 8.190 nan 0.000 0.436 72 Q N 3.154 122.954 119.800 -0.000 0.000 2.349 72 Q HA 0.375 4.715 4.340 -0.000 0.000 0.254 72 Q C 0.490 176.501 176.000 0.017 0.000 0.980 72 Q CA -0.080 55.730 55.803 0.012 0.000 0.924 72 Q CB 1.751 30.496 28.738 0.011 0.000 1.209 72 Q HN 0.923 nan 8.270 nan 0.000 0.445 73 G N 0.862 109.681 108.800 0.031 0.000 2.441 73 G HA2 0.282 4.242 3.960 -0.000 0.000 0.243 73 G HA3 0.282 4.242 3.960 -0.000 0.000 0.243 73 G C 0.913 175.836 174.900 0.038 0.000 1.281 73 G CA -0.355 44.767 45.100 0.037 0.000 0.854 73 G HN 0.488 nan 8.290 nan 0.000 0.560 74 V N 0.268 120.205 119.914 0.039 0.000 3.621 74 V HA 0.649 4.769 4.120 -0.000 0.000 0.263 74 V C 1.194 177.318 176.094 0.049 0.000 1.272 74 V CA 0.703 63.030 62.300 0.045 0.000 1.080 74 V CB -0.902 30.954 31.823 0.055 0.000 0.816 74 V HN 2.022 nan 8.190 nan 0.000 0.451 75 G N 0.080 108.910 108.800 0.050 0.000 2.525 75 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.685 75 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.685 75 G C -0.266 174.662 174.900 0.048 0.000 1.290 75 G CA -0.025 45.107 45.100 0.052 0.000 0.915 75 G HN 0.227 nan 8.290 nan 0.000 0.548 76 M N 0.379 120.007 119.600 0.048 0.000 2.319 76 M HA 0.419 4.899 4.480 -0.000 0.000 0.265 76 M C 1.963 178.285 176.300 0.035 0.000 1.068 76 M CA 2.742 58.066 55.300 0.039 0.000 1.118 76 M CB -0.067 32.560 32.600 0.045 0.000 1.395 76 M HN 1.652 nan 8.290 nan 0.000 0.435 77 A N -1.064 121.781 122.820 0.041 0.000 2.956 77 A HA 0.672 4.992 4.320 -0.000 0.000 0.294 77 A C 0.938 178.560 177.584 0.063 0.000 0.993 77 A CA -0.094 51.969 52.037 0.043 0.000 1.032 77 A CB -0.830 18.190 19.000 0.032 0.000 1.129 77 A HN 0.450 nan 8.150 nan 0.000 0.505 78 G N -0.409 108.434 108.800 0.073 0.000 3.441 78 G HA2 0.415 4.375 3.960 -0.000 0.000 0.263 78 G HA3 0.415 4.375 3.960 -0.000 0.000 0.263 78 G C 0.227 175.186 174.900 0.098 0.000 1.014 78 G CA -0.095 45.051 45.100 0.077 0.000 0.833 78 G HN 0.396 nan 8.290 nan 0.000 0.514 79 L N 0.942 122.248 121.223 0.138 0.000 2.380 79 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 79 L C 0.290 177.288 176.870 0.213 0.000 1.138 79 L CA -0.218 54.728 54.840 0.177 0.000 0.832 79 L CB 1.269 43.458 42.059 0.215 0.000 1.124 79 L HN -0.066 nan 8.230 nan 0.000 0.454 80 K N 1.514 121.914 120.400 0.001 0.000 2.238 80 K HA 0.677 4.996 4.320 -0.000 0.000 0.239 80 K C -0.475 175.622 176.600 -0.838 0.000 0.987 80 K CA -0.724 55.386 56.287 -0.294 0.000 0.857 80 K CB 1.695 34.087 32.500 -0.180 0.000 1.154 80 K HN 0.619 nan 8.250 nan 0.000 0.439 81 A N 2.943 125.003 122.820 -1.267 0.000 2.492 81 A HA 0.244 4.564 4.320 -0.000 0.000 0.254 81 A C -2.038 175.251 177.584 -0.492 0.000 1.091 81 A CA -0.891 50.407 52.037 -1.232 0.000 0.768 81 A CB -0.649 17.847 19.000 -0.840 0.000 1.028 81 A HN 0.434 nan 8.150 nan 0.000 0.498 82 P HA 0.103 nan 4.420 nan 0.000 0.274 82 P C 0.426 177.662 177.300 -0.107 0.000 1.237 82 P CA -0.330 62.679 63.100 -0.153 0.000 0.793 82 P CB 0.730 32.379 31.700 -0.085 0.000 0.977 83 Q N 1.133 120.891 119.800 -0.071 0.000 2.123 83 Q HA -0.047 4.293 4.340 -0.000 0.000 0.199 83 Q C -0.064 175.919 176.000 -0.027 0.000 0.966 83 Q CA 1.292 57.066 55.803 -0.048 0.000 0.845 83 Q CB -0.317 28.399 28.738 -0.037 0.000 0.907 83 Q HN 0.482 nan 8.270 nan 0.000 0.439 84 N N -0.428 118.265 118.700 -0.011 0.000 3.229 84 N HA 0.574 5.314 4.740 -0.000 0.000 0.315 84 N C -1.598 173.937 175.510 0.042 0.000 1.520 84 N CA -0.266 52.791 53.050 0.011 0.000 0.769 84 N CB 1.173 39.672 38.487 0.020 0.000 1.766 84 N HN 0.282 nan 8.380 nan 0.000 0.618 85 A N 0.513 123.380 122.820 0.078 0.000 2.462 85 A HA 0.365 4.685 4.320 -0.000 0.000 0.243 85 A C -0.519 177.223 177.584 0.263 0.000 1.076 85 A CA -0.019 52.119 52.037 0.168 0.000 0.773 85 A CB -0.530 18.560 19.000 0.149 0.000 1.010 85 A HN 0.504 nan 8.150 nan 0.000 0.493 86 L N 2.812 124.138 121.223 0.171 0.000 2.313 86 L HA 0.187 4.527 4.340 -0.000 0.000 0.282 86 L C 0.579 177.347 176.870 -0.170 0.000 1.092 86 L CA -0.421 54.430 54.840 0.019 0.000 0.831 86 L CB 0.278 42.305 42.059 -0.053 0.000 1.159 86 L HN 0.660 nan 8.230 nan 0.000 0.442 87 N N 3.105 121.615 118.700 -0.316 0.000 2.408 87 N HA 0.215 4.955 4.740 -0.000 0.000 0.257 87 N C 0.249 175.507 175.510 -0.420 0.000 1.064 87 N CA -0.170 52.446 53.050 -0.722 0.000 0.952 87 N CB 1.480 39.671 38.487 -0.493 0.000 1.093 87 N HN 0.565 nan 8.380 nan 0.000 0.490 88 M N 1.849 121.186 119.600 -0.438 0.000 2.516 88 M HA 0.245 4.725 4.480 -0.000 0.000 0.259 88 M C 1.327 177.519 176.300 -0.180 0.000 1.146 88 M CA 0.393 55.551 55.300 -0.237 0.000 1.122 88 M CB -0.239 32.247 32.600 -0.189 0.000 1.341 88 M HN 0.764 nan 8.290 nan 0.000 0.478 89 G N 0.784 109.448 108.800 -0.227 0.000 2.543 89 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.286 89 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.286 89 G C 0.821 175.676 174.900 -0.075 0.000 1.153 89 G CA 0.394 45.416 45.100 -0.130 0.000 0.968 89 G HN 0.404 nan 8.290 nan 0.000 0.544 90 N N 1.038 119.714 118.700 -0.039 0.000 2.325 90 N HA 0.109 4.849 4.740 -0.000 0.000 0.182 90 N C 0.816 176.318 175.510 -0.014 0.000 1.088 90 N CA 0.969 54.008 53.050 -0.018 0.000 0.879 90 N CB 0.113 38.598 38.487 -0.003 0.000 0.983 90 N HN 0.486 nan 8.380 nan 0.000 0.471 91 S N -0.547 115.141 115.700 -0.021 0.000 2.488 91 S HA 0.276 4.746 4.470 -0.000 0.000 0.278 91 S C 1.241 175.805 174.600 -0.060 0.000 1.259 91 S CA -0.399 57.785 58.200 -0.026 0.000 1.061 91 S CB 0.976 64.163 63.200 -0.022 0.000 0.910 91 S HN 0.379 nan 8.310 nan 0.000 0.491 92 G N 3.471 112.242 108.800 -0.049 0.000 2.551 92 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.216 92 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.216 92 G C 1.270 176.123 174.900 -0.078 0.000 1.137 92 G CA 0.591 45.662 45.100 -0.048 0.000 0.798 92 G HN 0.683 nan 8.290 nan 0.000 0.536 93 T N 0.467 114.940 114.554 -0.136 0.000 2.737 93 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 93 T C 2.670 177.231 174.700 -0.231 0.000 1.038 93 T CA 1.484 63.462 62.100 -0.205 0.000 1.144 93 T CB -0.221 68.424 68.868 -0.372 0.000 0.866 93 T HN 0.266 nan 8.240 nan 0.000 0.434 94 S N 0.650 116.183 115.700 -0.278 0.000 2.356 94 S HA -0.039 4.431 4.470 -0.000 0.000 0.223 94 S C 2.026 176.549 174.600 -0.129 0.000 1.032 94 S CA 0.945 59.033 58.200 -0.187 0.000 1.005 94 S CB -0.407 62.714 63.200 -0.132 0.000 0.867 94 S HN 0.442 nan 8.310 nan 0.000 0.449 95 I N 0.595 121.098 120.570 -0.111 0.000 2.394 95 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 95 I C 2.360 178.434 176.117 -0.072 0.000 1.136 95 I CA 1.193 62.439 61.300 -0.090 0.000 1.425 95 I CB -0.002 37.954 38.000 -0.073 0.000 1.079 95 I HN 0.168 nan 8.210 nan 0.000 0.425 96 R N -0.345 120.119 120.500 -0.061 0.000 2.080 96 R HA 0.074 4.414 4.340 -0.000 0.000 0.222 96 R C 2.190 178.479 176.300 -0.018 0.000 1.107 96 R CA 0.992 57.070 56.100 -0.036 0.000 0.980 96 R CB -0.157 30.130 30.300 -0.022 0.000 0.879 96 R HN 0.306 nan 8.270 nan 0.000 0.439 97 L N 0.406 121.621 121.223 -0.015 0.000 2.044 97 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 97 L C 2.271 179.115 176.870 -0.043 0.000 1.075 97 L CA 1.447 56.312 54.840 0.041 0.000 0.747 97 L CB -0.391 41.703 42.059 0.058 0.000 0.903 97 L HN 0.210 nan 8.230 nan 0.000 0.435 98 I N -0.673 119.831 120.570 -0.110 0.000 2.493 98 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 98 I C 2.565 178.594 176.117 -0.146 0.000 1.160 98 I CA 0.610 61.802 61.300 -0.181 0.000 1.445 98 I CB -0.129 37.714 38.000 -0.262 0.000 1.086 98 I HN 0.137 nan 8.210 nan 0.000 0.433 99 S N 0.641 116.282 115.700 -0.098 0.000 2.383 99 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 99 S C 2.075 176.636 174.600 -0.066 0.000 1.030 99 S CA 1.502 59.655 58.200 -0.079 0.000 1.002 99 S CB -0.468 62.696 63.200 -0.060 0.000 0.829 99 S HN 0.659 nan 8.310 nan 0.000 0.467 100 G N 0.351 109.132 108.800 -0.032 0.000 2.551 100 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 100 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 100 G C 1.322 176.223 174.900 0.003 0.000 1.137 100 G CA 0.379 45.481 45.100 0.005 0.000 0.798 100 G HN 0.423 nan 8.290 nan 0.000 0.536 101 V N 0.815 120.692 119.914 -0.062 0.000 2.453 101 V HA 0.035 4.155 4.120 -0.000 0.000 0.247 101 V C 2.381 178.413 176.094 -0.103 0.000 1.048 101 V CA 0.969 63.200 62.300 -0.115 0.000 1.049 101 V CB -0.221 31.468 31.823 -0.222 0.000 0.672 101 V HN 0.294 nan 8.190 nan 0.000 0.457 102 L N 0.320 121.467 121.223 -0.127 0.000 2.645 102 L HA 0.197 4.537 4.340 -0.000 0.000 0.234 102 L C 2.265 179.032 176.870 -0.171 0.000 1.165 102 L CA 0.389 55.133 54.840 -0.159 0.000 0.944 102 L CB -0.470 41.493 42.059 -0.159 0.000 1.149 102 L HN 0.289 nan 8.230 nan 0.000 0.446 103 A N 0.142 122.891 122.820 -0.118 0.000 1.969 103 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 103 A C 1.954 179.466 177.584 -0.119 0.000 1.169 103 A CA 1.469 53.443 52.037 -0.105 0.000 0.635 103 A CB -0.442 18.519 19.000 -0.066 0.000 0.810 103 A HN 0.419 nan 8.150 nan 0.000 0.445 104 G N -0.975 107.753 108.800 -0.120 0.000 3.707 104 G HA2 0.482 4.442 3.960 -0.000 0.000 0.286 104 G HA3 0.482 4.442 3.960 -0.000 0.000 0.286 104 G C 0.174 174.967 174.900 -0.179 0.000 1.112 104 G CA 0.547 45.577 45.100 -0.116 0.000 0.861 104 G HN 0.679 nan 8.290 nan 0.000 0.534 105 A N 0.195 122.823 122.820 -0.320 0.000 2.260 105 A HA 0.513 4.833 4.320 -0.000 0.000 0.308 105 A C -0.237 176.941 177.584 -0.676 0.000 1.254 105 A CA -0.512 51.143 52.037 -0.637 0.000 0.874 105 A CB 0.850 19.219 19.000 -1.051 0.000 1.153 105 A HN 0.090 nan 8.150 nan 0.000 0.527 106 D N 2.261 122.382 120.400 -0.463 0.000 3.038 106 D HA 0.422 5.062 4.640 -0.000 0.000 0.243 106 D C -0.644 175.635 176.300 -0.035 0.000 1.245 106 D CA 0.604 54.495 54.000 -0.181 0.000 0.871 106 D CB -0.714 40.077 40.800 -0.016 0.000 1.089 106 D HN 0.393 nan 8.370 nan 0.000 0.464 107 F N -2.246 117.691 119.950 -0.021 0.000 2.741 107 F HA 0.503 5.030 4.527 -0.000 0.000 0.313 107 F C -0.513 175.272 175.800 -0.025 0.000 1.153 107 F CA -1.418 56.569 58.000 -0.021 0.000 0.931 107 F CB 0.923 39.909 39.000 -0.022 0.000 1.335 107 F HN -0.336 nan 8.300 nan 0.000 0.460 108 E N 1.363 121.713 120.200 0.251 0.000 2.197 108 E HA 0.615 4.965 4.350 -0.000 0.000 0.281 108 E C -1.128 175.581 176.600 0.180 0.000 0.995 108 E CA -0.911 55.570 56.400 0.136 0.000 0.808 108 E CB 2.150 31.895 29.700 0.075 0.000 1.093 108 E HN 0.669 nan 8.360 nan 0.000 0.394 109 V N 0.165 120.150 119.914 0.117 0.000 3.074 109 V HA 0.603 4.723 4.120 -0.000 0.000 0.314 109 V C -0.620 175.507 176.094 0.055 0.000 1.117 109 V CA -0.867 61.494 62.300 0.102 0.000 1.014 109 V CB 2.076 33.968 31.823 0.115 0.000 1.057 109 V HN 0.650 nan 8.190 nan 0.000 0.438 110 E N 1.993 122.229 120.200 0.059 0.000 2.224 110 E HA 0.598 4.948 4.350 -0.000 0.000 0.265 110 E C -1.601 175.066 176.600 0.111 0.000 0.878 110 E CA -0.728 55.714 56.400 0.070 0.000 0.759 110 E CB 2.077 31.814 29.700 0.061 0.000 1.164 110 E HN 0.807 nan 8.360 nan 0.000 0.414 111 M N 4.965 124.625 119.600 0.100 0.000 2.125 111 M HA 0.392 4.872 4.480 -0.000 0.000 0.321 111 M C -0.919 175.474 176.300 0.155 0.000 0.983 111 M CA -0.860 54.489 55.300 0.082 0.000 0.934 111 M CB 0.869 33.466 32.600 -0.005 0.000 1.542 111 M HN 0.361 nan 8.290 nan 0.000 0.424 112 F N 0.845 120.779 119.950 -0.027 0.000 2.620 112 F HA 1.054 5.581 4.527 -0.000 0.000 0.320 112 F C -0.353 175.436 175.800 -0.018 0.000 1.069 112 F CA -0.744 57.244 58.000 -0.020 0.000 0.953 112 F CB 1.313 40.304 39.000 -0.016 0.000 1.322 112 F HN 0.532 nan 8.300 nan 0.000 0.479 113 G N 0.324 109.098 108.800 -0.043 0.000 3.058 113 G HA2 0.487 4.447 3.960 -0.000 0.000 0.282 113 G HA3 0.487 4.447 3.960 -0.000 0.000 0.282 113 G C -1.761 173.165 174.900 0.043 0.000 1.248 113 G CA -0.449 44.568 45.100 -0.138 0.000 0.822 113 G HN 0.880 nan 8.290 nan 0.000 0.579 114 D N -1.075 119.332 120.400 0.012 0.000 2.440 114 D HA 0.252 4.892 4.640 -0.000 0.000 0.269 114 D C 0.845 177.173 176.300 0.048 0.000 1.249 114 D CA -0.186 53.842 54.000 0.047 0.000 1.055 114 D CB 0.465 41.279 40.800 0.024 0.000 1.104 114 D HN 0.287 nan 8.370 nan 0.000 0.561 115 D N -1.068 119.358 120.400 0.043 0.000 2.144 115 D HA -0.200 4.440 4.640 -0.000 0.000 0.199 115 D C 1.858 178.174 176.300 0.027 0.000 0.984 115 D CA 1.727 55.748 54.000 0.035 0.000 0.834 115 D CB -0.186 40.633 40.800 0.031 0.000 0.955 115 D HN 0.221 nan 8.370 nan 0.000 0.465 116 S N -1.131 114.582 115.700 0.022 0.000 2.383 116 S HA -0.029 4.441 4.470 -0.000 0.000 0.227 116 S C 1.870 176.479 174.600 0.014 0.000 1.026 116 S CA 0.472 58.682 58.200 0.018 0.000 0.981 116 S CB -0.337 62.873 63.200 0.016 0.000 0.818 116 S HN 0.355 nan 8.310 nan 0.000 0.472 117 L N 0.744 121.973 121.223 0.010 0.000 2.179 117 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 117 L C 2.069 178.947 176.870 0.012 0.000 1.096 117 L CA 1.113 55.955 54.840 0.003 0.000 0.779 117 L CB -0.619 41.433 42.059 -0.013 0.000 0.922 117 L HN 0.328 nan 8.230 nan 0.000 0.443 118 S N -0.334 115.381 115.700 0.025 0.000 2.481 118 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 118 S C 1.698 176.312 174.600 0.022 0.000 0.996 118 S CA 0.737 58.956 58.200 0.031 0.000 0.942 118 S CB 0.026 63.253 63.200 0.045 0.000 0.768 118 S HN 0.379 nan 8.310 nan 0.000 0.520 119 K N 0.699 121.111 120.400 0.019 0.000 2.365 119 K HA 0.108 4.428 4.320 -0.000 0.000 0.197 119 K C 0.374 176.981 176.600 0.013 0.000 1.042 119 K CA 0.356 56.652 56.287 0.016 0.000 0.987 119 K CB 0.180 32.690 32.500 0.016 0.000 0.779 119 K HN 0.215 nan 8.250 nan 0.000 0.484 120 R N 1.989 122.496 120.500 0.011 0.000 2.308 120 R HA 0.148 4.488 4.340 -0.000 0.000 0.305 120 R C -2.441 173.864 176.300 0.007 0.000 1.053 120 R CA -1.860 54.245 56.100 0.009 0.000 0.957 120 R CB 0.565 30.869 30.300 0.006 0.000 1.022 120 R HN -0.016 nan 8.270 nan 0.000 0.461 121 P HA 0.055 nan 4.420 nan 0.000 0.275 121 P C -0.241 177.061 177.300 0.002 0.000 1.228 121 P CA 0.016 63.120 63.100 0.006 0.000 0.786 121 P CB 0.907 32.612 31.700 0.008 0.000 0.927 122 M N 1.034 120.634 119.600 -0.001 0.000 2.416 122 M HA 0.039 4.519 4.480 -0.000 0.000 0.337 122 M C 0.783 177.077 176.300 -0.010 0.000 1.074 122 M CA 0.146 55.441 55.300 -0.007 0.000 0.968 122 M CB -0.361 32.233 32.600 -0.011 0.000 1.472 122 M HN 0.317 nan 8.290 nan 0.000 0.539 123 D N 0.560 120.957 120.400 -0.003 0.000 2.263 123 D HA -0.155 4.485 4.640 -0.000 0.000 0.208 123 D C 1.640 177.939 176.300 -0.003 0.000 0.971 123 D CA 0.921 54.919 54.000 -0.003 0.000 0.867 123 D CB -0.215 40.589 40.800 0.005 0.000 0.929 123 D HN 0.177 nan 8.370 nan 0.000 0.492 124 R N 0.276 120.777 120.500 0.002 0.000 2.235 124 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 124 R C 1.972 178.254 176.300 -0.029 0.000 1.059 124 R CA 0.356 56.462 56.100 0.010 0.000 0.997 124 R CB -0.134 30.182 30.300 0.025 0.000 0.884 124 R HN 0.291 nan 8.270 nan 0.000 0.462 125 V N -0.074 119.814 119.914 -0.042 0.000 3.085 125 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 125 V C 2.284 178.325 176.094 -0.089 0.000 1.114 125 V CA 1.563 63.821 62.300 -0.070 0.000 1.108 125 V CB -0.121 31.675 31.823 -0.045 0.000 0.798 125 V HN 0.327 nan 8.190 nan 0.000 0.471 126 T N -1.169 113.346 114.554 -0.064 0.000 2.904 126 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 126 T C 1.915 176.570 174.700 -0.074 0.000 1.059 126 T CA 1.172 63.236 62.100 -0.061 0.000 1.137 126 T CB -0.262 68.583 68.868 -0.038 0.000 0.879 126 T HN 0.295 nan 8.240 nan 0.000 0.467 127 L N 2.089 123.267 121.223 -0.074 0.000 1.970 127 L HA -0.001 4.339 4.340 -0.000 0.000 0.212 127 L C -0.255 176.529 176.870 -0.144 0.000 1.071 127 L CA 1.623 56.422 54.840 -0.068 0.000 0.751 127 L CB -0.791 41.260 42.059 -0.012 0.000 0.889 127 L HN 0.209 nan 8.230 nan 0.000 0.432 128 P HA -0.165 nan 4.420 nan 0.000 0.219 128 P C 1.939 179.093 177.300 -0.244 0.000 1.150 128 P CA 1.444 64.256 63.100 -0.480 0.000 0.814 128 P CB 0.027 31.182 31.700 -0.908 0.000 0.787 129 L N -0.569 120.546 121.223 -0.180 0.000 2.217 129 L HA -0.056 4.283 4.340 -0.000 0.000 0.211 129 L C 2.665 179.486 176.870 -0.082 0.000 1.107 129 L CA 1.314 56.085 54.840 -0.115 0.000 0.783 129 L CB -0.553 41.449 42.059 -0.096 0.000 0.919 129 L HN -0.081 nan 8.230 nan 0.000 0.442 130 K N 0.017 120.372 120.400 -0.074 0.000 2.155 130 K HA -0.151 4.169 4.320 -0.000 0.000 0.203 130 K C 1.997 178.576 176.600 -0.035 0.000 1.052 130 K CA 1.027 57.286 56.287 -0.047 0.000 0.948 130 K CB 0.100 32.579 32.500 -0.036 0.000 0.728 130 K HN 0.195 nan 8.250 nan 0.000 0.448 131 K N 0.123 120.500 120.400 -0.038 0.000 2.288 131 K HA 0.005 4.325 4.320 -0.000 0.000 0.201 131 K C 1.834 178.428 176.600 -0.011 0.000 1.048 131 K CA 0.936 57.216 56.287 -0.011 0.000 0.956 131 K CB 0.124 32.629 32.500 0.010 0.000 0.746 131 K HN 0.108 nan 8.250 nan 0.000 0.461 132 M N -1.341 118.239 119.600 -0.033 0.000 2.388 132 M HA 0.048 4.528 4.480 -0.000 0.000 0.265 132 M C 0.902 177.186 176.300 -0.027 0.000 1.088 132 M CA 1.091 56.373 55.300 -0.029 0.000 1.134 132 M CB 0.712 33.284 32.600 -0.047 0.000 1.384 132 M HN 0.394 nan 8.290 nan 0.000 0.447 133 G N 0.399 109.180 108.800 -0.031 0.000 2.151 133 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.140 133 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.140 133 G C -0.266 174.610 174.900 -0.041 0.000 1.020 133 G CA -0.619 44.463 45.100 -0.030 0.000 0.688 133 G HN 0.221 nan 8.290 nan 0.000 0.500 134 V N 1.065 120.950 119.914 -0.049 0.000 2.439 134 V HA 0.706 4.825 4.120 -0.000 0.000 0.282 134 V C 0.848 176.912 176.094 -0.050 0.000 1.039 134 V CA -0.023 62.242 62.300 -0.059 0.000 0.913 134 V CB 1.724 33.505 31.823 -0.070 0.000 0.983 134 V HN 0.396 nan 8.190 nan 0.000 0.460 135 S N 5.632 121.303 115.700 -0.048 0.000 2.409 135 S HA 0.637 5.107 4.470 -0.000 0.000 0.308 135 S C -0.571 174.007 174.600 -0.037 0.000 1.080 135 S CA -0.469 57.709 58.200 -0.037 0.000 1.081 135 S CB -0.807 62.374 63.200 -0.031 0.000 1.009 135 S HN 0.499 nan 8.310 nan 0.000 0.502 136 I N 3.403 123.953 120.570 -0.034 0.000 2.582 136 I HA 0.665 4.835 4.170 -0.000 0.000 0.292 136 I C -0.354 175.749 176.117 -0.022 0.000 1.066 136 I CA -0.614 60.668 61.300 -0.031 0.000 1.053 136 I CB 2.321 40.298 38.000 -0.039 0.000 1.241 136 I HN 0.489 nan 8.210 nan 0.000 0.421 137 S N 2.269 117.959 115.700 -0.016 0.000 2.533 137 S HA 0.939 5.409 4.470 -0.000 0.000 0.271 137 S C -0.567 174.030 174.600 -0.005 0.000 1.143 137 S CA -0.443 57.750 58.200 -0.011 0.000 0.891 137 S CB 1.549 64.744 63.200 -0.009 0.000 1.105 137 S HN 1.064 nan 8.310 nan 0.000 0.468 138 G N 0.762 109.561 108.800 -0.003 0.000 3.212 138 G HA2 0.618 4.578 3.960 -0.000 0.000 0.188 138 G HA3 0.618 4.578 3.960 -0.000 0.000 0.188 138 G C -1.297 173.605 174.900 0.003 0.000 1.254 138 G CA -0.738 44.363 45.100 0.003 0.000 0.957 138 G HN 0.652 nan 8.290 nan 0.000 0.596 139 Q N 1.263 121.067 119.800 0.006 0.000 2.288 139 Q HA 0.446 4.786 4.340 -0.000 0.000 0.254 139 Q C 0.843 176.846 176.000 0.004 0.000 0.932 139 Q CA 0.522 56.328 55.803 0.005 0.000 0.902 139 Q CB 0.711 29.453 28.738 0.007 0.000 1.203 139 Q HN 1.222 nan 8.270 nan 0.000 0.415 140 T N -0.502 114.053 114.554 0.003 0.000 0.541 140 T HA -0.213 4.137 4.350 -0.000 0.000 0.774 140 T C 0.820 175.522 174.700 0.002 0.000 0.992 140 T CA 0.694 62.796 62.100 0.003 0.000 4.077 140 T CB -0.408 68.462 68.868 0.004 0.000 2.303 140 T HN 0.647 nan 8.240 nan 0.000 0.398 141 E N 1.254 121.456 120.200 0.003 0.000 2.216 141 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 141 E C 2.336 178.938 176.600 0.004 0.000 0.988 141 E CA 1.355 57.757 56.400 0.003 0.000 0.834 141 E CB -0.214 29.488 29.700 0.004 0.000 0.772 141 E HN 0.735 nan 8.360 nan 0.000 0.479 142 R N 0.983 121.485 120.500 0.005 0.000 2.313 142 R HA 0.009 4.349 4.340 -0.000 0.000 0.199 142 R C -0.576 175.726 176.300 0.004 0.000 0.958 142 R CA 0.200 56.303 56.100 0.006 0.000 1.047 142 R CB -0.340 29.964 30.300 0.007 0.000 0.955 142 R HN -0.189 nan 8.270 nan 0.000 0.481 143 D N 1.480 121.882 120.400 0.002 0.000 3.278 143 D HA -0.142 4.498 4.640 -0.000 0.000 0.233 143 D C -0.631 175.671 176.300 0.003 0.000 1.149 143 D CA 0.852 54.852 54.000 0.001 0.000 0.957 143 D CB -0.796 40.002 40.800 -0.004 0.000 0.913 143 D HN 0.317 nan 8.370 nan 0.000 0.409 144 L N 1.150 122.378 121.223 0.007 0.000 2.357 144 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 144 L C -1.825 175.055 176.870 0.017 0.000 1.080 144 L CA -1.850 52.997 54.840 0.011 0.000 0.803 144 L CB 0.636 42.703 42.059 0.013 0.000 1.174 144 L HN -0.115 nan 8.230 nan 0.000 0.443 145 P HA 0.040 nan 4.420 nan 0.000 0.266 145 P C -2.442 174.891 177.300 0.055 0.000 1.195 145 P CA -0.652 62.474 63.100 0.043 0.000 0.768 145 P CB -0.155 31.572 31.700 0.046 0.000 0.838 146 P HA 0.251 nan 4.420 nan 0.000 0.276 146 P C -0.990 176.338 177.300 0.047 0.000 1.244 146 P CA -0.035 63.117 63.100 0.088 0.000 0.801 146 P CB 0.780 32.538 31.700 0.098 0.000 1.006 147 L N 1.648 122.897 121.223 0.045 0.000 2.342 147 L HA 0.589 4.929 4.340 -0.000 0.000 0.271 147 L C 0.840 177.721 176.870 0.019 0.000 1.008 147 L CA -0.772 54.080 54.840 0.020 0.000 0.818 147 L CB 1.697 43.759 42.059 0.005 0.000 1.296 147 L HN 0.198 nan 8.230 nan 0.000 0.427 148 R N 2.327 122.831 120.500 0.006 0.000 2.393 148 R HA 0.648 4.988 4.340 -0.000 0.000 0.315 148 R C -1.354 174.942 176.300 -0.008 0.000 0.952 148 R CA -0.696 55.407 56.100 0.004 0.000 0.842 148 R CB 2.150 32.452 30.300 0.003 0.000 1.163 148 R HN 0.473 nan 8.270 nan 0.000 0.450 149 L N 2.307 123.523 121.223 -0.011 0.000 2.365 149 L HA 0.523 4.863 4.340 -0.000 0.000 0.273 149 L C -1.020 175.825 176.870 -0.041 0.000 1.000 149 L CA -0.495 54.325 54.840 -0.033 0.000 0.819 149 L CB 1.478 43.508 42.059 -0.049 0.000 1.284 149 L HN 0.436 nan 8.230 nan 0.000 0.418 150 K N 3.487 123.851 120.400 -0.061 0.000 2.668 150 K HA 0.462 4.782 4.320 -0.000 0.000 0.246 150 K C -0.431 176.104 176.600 -0.109 0.000 0.976 150 K CA -0.453 55.786 56.287 -0.080 0.000 0.902 150 K CB 1.615 34.089 32.500 -0.043 0.000 1.172 150 K HN 0.849 nan 8.250 nan 0.000 0.452 151 G N 1.287 109.982 108.800 -0.175 0.000 2.563 151 G HA2 0.434 4.394 3.960 -0.000 0.000 0.283 151 G HA3 0.434 4.394 3.960 -0.000 0.000 0.283 151 G C -0.692 174.127 174.900 -0.135 0.000 1.309 151 G CA -0.117 44.882 45.100 -0.168 0.000 1.022 151 G HN 0.471 nan 8.290 nan 0.000 0.501 152 T N -0.924 113.563 114.554 -0.112 0.000 2.909 152 T HA 0.332 4.682 4.350 -0.000 0.000 0.299 152 T C 0.534 175.192 174.700 -0.069 0.000 1.073 152 T CA -0.758 61.295 62.100 -0.078 0.000 0.999 152 T CB 2.276 71.112 68.868 -0.053 0.000 1.098 152 T HN 0.467 nan 8.240 nan 0.000 0.477 153 K N 0.941 121.310 120.400 -0.051 0.000 2.288 153 K HA 0.095 4.415 4.320 -0.000 0.000 0.201 153 K C 0.651 177.237 176.600 -0.023 0.000 1.048 153 K CA 0.653 56.919 56.287 -0.034 0.000 0.956 153 K CB 0.103 32.591 32.500 -0.020 0.000 0.746 153 K HN 0.306 nan 8.250 nan 0.000 0.461 154 N N 1.731 120.417 118.700 -0.022 0.000 3.301 154 N HA 0.123 4.863 4.740 -0.000 0.000 0.289 154 N C -0.853 174.647 175.510 -0.017 0.000 1.343 154 N CA -0.108 52.933 53.050 -0.014 0.000 1.136 154 N CB 0.471 38.953 38.487 -0.010 0.000 1.402 154 N HN 0.141 nan 8.380 nan 0.000 0.516 155 L N 1.217 122.428 121.223 -0.020 0.000 2.416 155 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 155 L C 0.794 177.657 176.870 -0.011 0.000 1.161 155 L CA -0.062 54.765 54.840 -0.022 0.000 0.845 155 L CB 0.741 42.783 42.059 -0.027 0.000 1.119 155 L HN 0.095 nan 8.230 nan 0.000 0.464 156 R N 4.846 125.340 120.500 -0.010 0.000 2.368 156 R HA 0.379 4.719 4.340 -0.000 0.000 0.302 156 R C -2.278 174.021 176.300 -0.002 0.000 1.002 156 R CA -1.730 54.372 56.100 0.003 0.000 0.929 156 R CB 1.049 31.356 30.300 0.011 0.000 1.073 156 R HN 0.386 nan 8.270 nan 0.000 0.464 157 P HA 0.042 nan 4.420 nan 0.000 0.269 157 P C -0.674 176.604 177.300 -0.037 0.000 1.215 157 P CA 0.088 63.169 63.100 -0.031 0.000 0.780 157 P CB 0.910 32.600 31.700 -0.017 0.000 0.898 158 I N 2.203 122.696 120.570 -0.128 0.000 2.474 158 I HA 0.302 4.472 4.170 -0.000 0.000 0.294 158 I C -0.650 175.326 176.117 -0.236 0.000 1.005 158 I CA -0.968 60.285 61.300 -0.079 0.000 1.113 158 I CB 1.203 39.177 38.000 -0.043 0.000 1.289 158 I HN 0.321 nan 8.210 nan 0.000 0.436 159 H N 6.696 125.812 119.070 0.077 0.000 2.632 159 H HA 0.314 4.870 4.556 -0.000 0.000 0.258 159 H C -1.611 173.792 175.328 0.125 0.000 1.278 159 H CA -0.230 55.863 56.048 0.075 0.000 1.352 159 H CB 0.568 30.354 29.762 0.039 0.000 1.418 159 H HN 0.471 nan 8.280 nan 0.000 0.513 160 Y N 1.173 121.498 120.300 0.041 0.000 2.446 160 Y HA 0.328 4.878 4.550 -0.000 0.000 0.345 160 Y C -0.440 175.463 175.900 0.006 0.000 0.984 160 Y CA -1.140 56.972 58.100 0.020 0.000 1.058 160 Y CB 1.551 40.009 38.460 -0.003 0.000 1.220 160 Y HN 0.502 nan 8.280 nan 0.000 0.455 161 E N 4.876 124.733 120.200 -0.572 0.000 2.113 161 E HA 0.348 4.697 4.350 -0.000 0.000 0.273 161 E C -1.777 174.473 176.600 -0.584 0.000 0.924 161 E CA -0.615 55.536 56.400 -0.416 0.000 0.764 161 E CB 0.787 30.311 29.700 -0.293 0.000 1.104 161 E HN 0.672 nan 8.360 nan 0.000 0.406 162 L N 7.726 128.835 121.223 -0.191 0.000 2.418 162 L HA 0.207 4.547 4.340 -0.000 0.000 0.274 162 L C -1.420 175.417 176.870 -0.055 0.000 1.135 162 L CA -0.973 53.861 54.840 -0.009 0.000 0.870 162 L CB 0.932 43.037 42.059 0.078 0.000 1.154 162 L HN 0.674 nan 8.230 nan 0.000 0.462 163 P HA -0.031 nan 4.420 nan 0.000 0.227 163 P C 0.220 177.521 177.300 0.002 0.000 1.161 163 P CA 0.917 64.004 63.100 -0.022 0.000 0.788 163 P CB 0.884 32.588 31.700 0.005 0.000 0.822 164 I N -0.223 120.362 120.570 0.025 0.000 2.646 164 I HA 0.450 4.620 4.170 -0.000 0.000 0.299 164 I C -0.694 175.433 176.117 0.017 0.000 1.036 164 I CA -1.430 59.882 61.300 0.020 0.000 1.074 164 I CB 2.472 40.489 38.000 0.030 0.000 1.258 164 I HN -0.219 nan 8.210 nan 0.000 0.430 165 A N 5.298 128.124 122.820 0.009 0.000 2.990 165 A HA 0.376 4.696 4.320 -0.000 0.000 0.282 165 A C -0.057 177.538 177.584 0.019 0.000 1.688 165 A CA 0.064 52.105 52.037 0.007 0.000 1.391 165 A CB -0.470 18.533 19.000 0.005 0.000 1.112 165 A HN 0.541 nan 8.150 nan 0.000 0.588 166 S N 0.863 116.577 115.700 0.023 0.000 2.532 166 S HA 0.585 5.055 4.470 -0.000 0.000 0.299 166 S C 0.912 175.531 174.600 0.031 0.000 1.105 166 S CA 0.078 58.296 58.200 0.030 0.000 1.018 166 S CB 1.451 64.669 63.200 0.031 0.000 1.021 166 S HN 1.013 nan 8.310 nan 0.000 0.483 167 A N 3.891 126.735 122.820 0.039 0.000 2.016 167 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 167 A C 1.829 179.442 177.584 0.048 0.000 1.162 167 A CA 0.836 52.900 52.037 0.045 0.000 0.662 167 A CB -0.444 18.597 19.000 0.067 0.000 0.812 167 A HN 0.876 nan 8.150 nan 0.000 0.450 168 Q N -0.397 119.430 119.800 0.046 0.000 2.167 168 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 168 Q C 1.966 177.985 176.000 0.031 0.000 0.970 168 Q CA 1.545 57.373 55.803 0.042 0.000 0.855 168 Q CB -0.203 28.550 28.738 0.025 0.000 0.911 168 Q HN 0.501 nan 8.270 nan 0.000 0.438 169 V N 1.033 120.961 119.914 0.023 0.000 2.488 169 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 169 V C 2.194 178.291 176.094 0.006 0.000 1.046 169 V CA 1.602 63.908 62.300 0.010 0.000 1.053 169 V CB -0.450 31.385 31.823 0.020 0.000 0.679 169 V HN 0.286 nan 8.190 nan 0.000 0.458 170 K N 0.476 120.884 120.400 0.014 0.000 2.057 170 K HA -0.161 4.158 4.320 -0.000 0.000 0.207 170 K C 2.279 178.858 176.600 -0.035 0.000 1.049 170 K CA 1.881 58.168 56.287 -0.001 0.000 0.931 170 K CB -0.147 32.354 32.500 0.002 0.000 0.714 170 K HN 0.455 nan 8.250 nan 0.000 0.440 171 S N 0.608 116.293 115.700 -0.025 0.000 2.387 171 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 171 S C 2.015 176.583 174.600 -0.054 0.000 1.026 171 S CA 0.928 59.075 58.200 -0.087 0.000 0.972 171 S CB -0.117 63.097 63.200 0.023 0.000 0.814 171 S HN 0.502 nan 8.310 nan 0.000 0.477 172 A N 1.392 124.247 122.820 0.059 0.000 1.933 172 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 172 A C 1.965 179.575 177.584 0.043 0.000 1.175 172 A CA 1.183 53.284 52.037 0.108 0.000 0.628 172 A CB -0.549 18.477 19.000 0.043 0.000 0.814 172 A HN 0.375 nan 8.150 nan 0.000 0.444 173 L N -1.077 120.130 121.223 -0.028 0.000 2.217 173 L HA 0.048 4.388 4.340 -0.000 0.000 0.211 173 L C 2.533 179.363 176.870 -0.067 0.000 1.107 173 L CA 1.366 56.173 54.840 -0.055 0.000 0.783 173 L CB -0.663 41.354 42.059 -0.069 0.000 0.919 173 L HN 0.394 nan 8.230 nan 0.000 0.442 174 M N -2.412 117.113 119.600 -0.126 0.000 2.200 174 M HA -0.170 4.310 4.480 -0.000 0.000 0.265 174 M C 2.080 178.256 176.300 -0.206 0.000 1.066 174 M CA 1.627 56.809 55.300 -0.197 0.000 1.127 174 M CB -0.201 32.218 32.600 -0.302 0.000 1.379 174 M HN 0.134 nan 8.290 nan 0.000 0.420 175 F N -0.386 119.521 119.950 -0.071 0.000 2.325 175 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 175 F C 2.474 178.223 175.800 -0.086 0.000 1.090 175 F CA 0.708 58.641 58.000 -0.112 0.000 1.392 175 F CB -0.272 38.643 39.000 -0.142 0.000 1.053 175 F HN 0.136 nan 8.300 nan 0.000 0.521 176 A N -0.126 122.748 122.820 0.089 0.000 1.970 176 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 176 A C 2.260 179.842 177.584 -0.003 0.000 1.170 176 A CA 1.179 53.229 52.037 0.022 0.000 0.645 176 A CB -0.902 18.091 19.000 -0.012 0.000 0.816 176 A HN 0.255 nan 8.150 nan 0.000 0.447 177 A N -0.886 121.924 122.820 -0.017 0.000 2.066 177 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 177 A C 1.860 179.441 177.584 -0.005 0.000 1.157 177 A CA 1.172 53.193 52.037 -0.027 0.000 0.670 177 A CB -0.383 18.588 19.000 -0.049 0.000 0.804 177 A HN 0.387 nan 8.150 nan 0.000 0.453 178 L N -0.703 120.528 121.223 0.014 0.000 2.376 178 L HA -0.073 4.267 4.340 -0.000 0.000 0.219 178 L C 2.269 179.162 176.870 0.037 0.000 1.133 178 L CA 1.661 56.524 54.840 0.038 0.000 0.816 178 L CB -0.324 41.775 42.059 0.066 0.000 0.933 178 L HN 0.474 nan 8.230 nan 0.000 0.449 179 Q N -1.561 118.254 119.800 0.024 0.000 2.396 179 Q HA 0.308 4.648 4.340 -0.000 0.000 0.220 179 Q C 0.883 176.885 176.000 0.004 0.000 0.900 179 Q CA 0.316 56.127 55.803 0.013 0.000 0.925 179 Q CB 0.274 29.012 28.738 0.001 0.000 1.065 179 Q HN 0.433 nan 8.270 nan 0.000 0.535 180 A N 1.249 124.067 122.820 -0.002 0.000 2.406 180 A HA 0.207 4.527 4.320 -0.000 0.000 0.243 180 A C -0.371 177.214 177.584 0.001 0.000 1.082 180 A CA -0.012 52.021 52.037 -0.007 0.000 0.786 180 A CB 0.316 19.305 19.000 -0.017 0.000 1.029 180 A HN -0.048 nan 8.150 nan 0.000 0.495 181 K N 0.774 121.175 120.400 0.003 0.000 2.266 181 K HA 0.577 4.896 4.320 -0.000 0.000 0.274 181 K C 0.414 177.022 176.600 0.013 0.000 1.090 181 K CA 1.128 57.421 56.287 0.010 0.000 0.925 181 K CB 0.804 33.310 32.500 0.010 0.000 1.225 181 K HN 1.417 nan 8.250 nan 0.000 0.458 182 G N 1.405 110.213 108.800 0.014 0.000 2.293 182 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.282 182 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.282 182 G C -1.527 173.379 174.900 0.010 0.000 1.299 182 G CA -1.001 44.111 45.100 0.020 0.000 1.018 182 G HN 0.442 nan 8.290 nan 0.000 0.478 183 E N 0.012 120.224 120.200 0.019 0.000 2.174 183 E HA 0.615 4.965 4.350 -0.000 0.000 0.282 183 E C -0.630 175.906 176.600 -0.106 0.000 0.992 183 E CA -0.422 55.977 56.400 -0.002 0.000 0.803 183 E CB 0.906 30.634 29.700 0.047 0.000 1.090 183 E HN 0.478 nan 8.360 nan 0.000 0.396 184 S N 3.011 118.620 115.700 -0.151 0.000 2.502 184 S HA 0.397 4.867 4.470 -0.000 0.000 0.304 184 S C -0.598 173.875 174.600 -0.212 0.000 1.097 184 S CA -0.923 57.103 58.200 -0.289 0.000 1.045 184 S CB 1.526 64.619 63.200 -0.177 0.000 1.019 184 S HN 0.468 nan 8.310 nan 0.000 0.481 185 V N 0.877 120.627 119.914 -0.274 0.000 2.459 185 V HA 0.757 4.877 4.120 -0.000 0.000 0.295 185 V C -0.846 175.227 176.094 -0.037 0.000 1.029 185 V CA -0.734 61.516 62.300 -0.084 0.000 0.874 185 V CB 0.872 32.707 31.823 0.019 0.000 0.985 185 V HN 0.797 nan 8.190 nan 0.000 0.438 186 I N 5.761 126.324 120.570 -0.011 0.000 2.410 186 I HA 0.522 4.692 4.170 -0.000 0.000 0.286 186 I C -0.518 175.602 176.117 0.005 0.000 1.009 186 I CA -0.256 61.055 61.300 0.018 0.000 1.111 186 I CB 1.724 39.727 38.000 0.005 0.000 1.262 186 I HN 0.564 nan 8.210 nan 0.000 0.443 187 I N 5.960 126.534 120.570 0.006 0.000 2.336 187 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 187 I C 0.120 176.205 176.117 -0.053 0.000 0.991 187 I CA -0.468 60.810 61.300 -0.036 0.000 1.227 187 I CB 0.902 38.873 38.000 -0.048 0.000 1.366 187 I HN 0.514 nan 8.210 nan 0.000 0.466 188 E N 4.674 124.817 120.200 -0.095 0.000 2.343 188 E HA 0.117 4.467 4.350 -0.000 0.000 0.269 188 E C 0.454 176.971 176.600 -0.138 0.000 1.047 188 E CA -0.480 55.851 56.400 -0.116 0.000 0.874 188 E CB 1.528 31.121 29.700 -0.178 0.000 1.033 188 E HN 0.376 nan 8.360 nan 0.000 0.409 189 K N 1.465 121.803 120.400 -0.102 0.000 2.076 189 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 189 K C 0.033 176.564 176.600 -0.115 0.000 1.051 189 K CA 1.340 57.571 56.287 -0.093 0.000 0.949 189 K CB 0.340 32.807 32.500 -0.055 0.000 0.726 189 K HN 0.372 nan 8.250 nan 0.000 0.443 190 E N -1.927 118.202 120.200 -0.119 0.000 2.429 190 E HA 0.277 4.627 4.350 -0.000 0.000 0.276 190 E C -1.542 174.978 176.600 -0.133 0.000 0.953 190 E CA -0.767 55.566 56.400 -0.112 0.000 0.787 190 E CB 0.840 30.532 29.700 -0.013 0.000 1.307 190 E HN 0.052 nan 8.360 nan 0.000 0.458 191 Y N 0.919 121.214 120.300 -0.008 0.000 2.605 191 Y HA 0.265 4.815 4.550 -0.000 0.000 0.336 191 Y C 0.876 176.768 175.900 -0.013 0.000 1.111 191 Y CA 0.701 58.793 58.100 -0.013 0.000 1.422 191 Y CB 0.822 39.272 38.460 -0.016 0.000 1.193 191 Y HN 0.294 nan 8.280 nan 0.000 0.526 192 T N 3.066 117.687 114.554 0.110 0.000 2.773 192 T HA 0.477 4.826 4.350 -0.000 0.000 0.278 192 T C -0.419 174.299 174.700 0.030 0.000 1.011 192 T CA -1.113 61.023 62.100 0.061 0.000 1.014 192 T CB 0.765 69.656 68.868 0.037 0.000 1.293 192 T HN 0.602 nan 8.240 nan 0.000 0.554 193 R N 2.819 123.327 120.500 0.013 0.000 2.485 193 R HA 0.075 4.415 4.340 -0.000 0.000 0.304 193 R C 0.521 176.769 176.300 -0.087 0.000 0.934 193 R CA 0.317 56.383 56.100 -0.056 0.000 1.102 193 R CB -0.137 30.212 30.300 0.083 0.000 0.906 193 R HN 0.514 nan 8.270 nan 0.000 0.407 194 N N 2.428 120.997 118.700 -0.219 0.000 2.458 194 N HA -0.002 4.738 4.740 -0.000 0.000 0.274 194 N C -0.177 175.254 175.510 -0.132 0.000 1.242 194 N CA -0.184 52.791 53.050 -0.124 0.000 0.904 194 N CB 0.172 38.617 38.487 -0.069 0.000 1.206 194 N HN 0.620 nan 8.380 nan 0.000 0.510 195 H N -0.360 118.739 119.070 0.049 0.000 2.462 195 H HA 0.042 4.598 4.556 -0.000 0.000 0.292 195 H C 1.219 176.581 175.328 0.058 0.000 1.049 195 H CA 1.822 57.902 56.048 0.053 0.000 1.334 195 H CB 0.442 30.251 29.762 0.078 0.000 1.404 195 H HN 0.248 nan 8.280 nan 0.000 0.544 196 T N 0.303 114.961 114.554 0.173 0.000 2.904 196 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 196 T C 1.609 176.346 174.700 0.062 0.000 1.059 196 T CA 1.242 63.436 62.100 0.156 0.000 1.137 196 T CB -0.032 68.853 68.868 0.028 0.000 0.879 196 T HN 0.387 nan 8.240 nan 0.000 0.467 197 E N 1.106 121.317 120.200 0.017 0.000 2.152 197 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 197 E C 1.915 178.501 176.600 -0.024 0.000 0.983 197 E CA 0.833 57.229 56.400 -0.005 0.000 0.818 197 E CB -0.076 29.621 29.700 -0.006 0.000 0.758 197 E HN 0.375 nan 8.360 nan 0.000 0.467 198 D N -0.180 120.208 120.400 -0.019 0.000 2.137 198 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 198 D C 1.768 178.019 176.300 -0.082 0.000 0.970 198 D CA 0.816 54.800 54.000 -0.026 0.000 0.837 198 D CB -0.098 40.712 40.800 0.017 0.000 0.981 198 D HN 0.136 nan 8.370 nan 0.000 0.475 199 M N 0.109 119.612 119.600 -0.163 0.000 2.394 199 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 199 M C 1.776 177.667 176.300 -0.681 0.000 1.073 199 M CA 0.463 55.525 55.300 -0.397 0.000 1.111 199 M CB 0.221 32.474 32.600 -0.579 0.000 1.401 199 M HN -0.038 nan 8.290 nan 0.000 0.448 200 L N 0.257 121.190 121.223 -0.484 0.000 2.056 200 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 200 L C 2.052 178.872 176.870 -0.083 0.000 1.078 200 L CA 1.971 56.703 54.840 -0.181 0.000 0.749 200 L CB -0.555 41.537 42.059 0.055 0.000 0.901 200 L HN 0.327 nan 8.230 nan 0.000 0.433 201 Q N -1.177 118.570 119.800 -0.089 0.000 2.224 201 Q HA -0.247 4.093 4.340 -0.000 0.000 0.203 201 Q C 2.166 178.120 176.000 -0.077 0.000 0.970 201 Q CA 1.516 57.268 55.803 -0.085 0.000 0.865 201 Q CB -0.063 28.640 28.738 -0.058 0.000 0.922 201 Q HN 0.653 nan 8.270 nan 0.000 0.445 202 Q N -0.265 119.497 119.800 -0.063 0.000 2.049 202 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 202 Q C 0.879 176.821 176.000 -0.096 0.000 0.971 202 Q CA 1.142 56.904 55.803 -0.070 0.000 0.833 202 Q CB 0.119 28.833 28.738 -0.041 0.000 0.896 202 Q HN 0.309 nan 8.270 nan 0.000 0.434 203 F N -0.669 119.183 119.950 -0.164 0.000 2.811 203 F HA 0.273 4.800 4.527 -0.000 0.000 0.301 203 F C 1.231 177.009 175.800 -0.036 0.000 1.151 203 F CA 0.878 58.838 58.000 -0.067 0.000 1.412 203 F CB 0.849 39.852 39.000 0.005 0.000 1.113 203 F HN 0.300 nan 8.300 nan 0.000 0.579 204 G N -0.083 108.734 108.800 0.027 0.000 2.138 204 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.193 204 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.193 204 G C 0.579 175.377 174.900 -0.170 0.000 0.998 204 G CA -0.327 44.739 45.100 -0.058 0.000 0.668 204 G HN 0.715 nan 8.290 nan 0.000 0.516 205 G N -1.052 107.662 108.800 -0.145 0.000 2.547 205 G HA2 0.651 4.611 3.960 -0.000 0.000 0.291 205 G HA3 0.651 4.611 3.960 -0.000 0.000 0.291 205 G C -0.711 173.930 174.900 -0.431 0.000 1.211 205 G CA -0.582 44.427 45.100 -0.153 0.000 0.950 205 G HN 0.522 nan 8.290 nan 0.000 0.504 206 H N -1.327 117.779 119.070 0.060 0.000 2.771 206 H HA 0.562 5.118 4.556 -0.000 0.000 0.361 206 H C -0.546 174.801 175.328 0.031 0.000 1.108 206 H CA -0.657 55.415 56.048 0.040 0.000 1.201 206 H CB 2.018 31.800 29.762 0.035 0.000 1.681 206 H HN 0.528 nan 8.280 nan 0.000 0.534 207 L N -0.654 120.650 121.223 0.135 0.000 2.479 207 L HA 0.659 4.999 4.340 -0.000 0.000 0.255 207 L C 0.104 177.014 176.870 0.066 0.000 1.026 207 L CA -0.743 54.144 54.840 0.079 0.000 0.842 207 L CB 1.403 43.488 42.059 0.044 0.000 1.444 207 L HN 0.533 nan 8.230 nan 0.000 0.409 208 S N -0.982 114.746 115.700 0.047 0.000 2.527 208 S HA 0.422 4.892 4.470 -0.000 0.000 0.225 208 S C -0.207 174.413 174.600 0.034 0.000 1.046 208 S CA 0.612 58.835 58.200 0.039 0.000 0.929 208 S CB 0.240 63.459 63.200 0.032 0.000 0.851 208 S HN 0.685 nan 8.310 nan 0.000 0.565 209 V N 3.119 123.052 119.914 0.030 0.000 3.478 209 V HA -0.123 3.997 4.120 -0.000 0.000 0.490 209 V C -1.003 175.113 176.094 0.037 0.000 0.682 209 V CA 0.311 62.632 62.300 0.033 0.000 2.029 209 V CB -0.496 31.350 31.823 0.039 0.000 2.466 209 V HN 0.601 nan 8.190 nan 0.000 0.504 210 D N 4.641 125.062 120.400 0.035 0.000 2.607 210 D HA 0.453 5.093 4.640 -0.000 0.000 0.318 210 D C 0.752 177.079 176.300 0.045 0.000 1.212 210 D CA 0.659 54.681 54.000 0.036 0.000 0.861 210 D CB 0.850 41.666 40.800 0.026 0.000 1.064 210 D HN 1.623 nan 8.370 nan 0.000 0.500 211 G N 3.225 112.073 108.800 0.080 0.000 2.296 211 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 211 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 211 G C 0.832 175.764 174.900 0.053 0.000 0.887 211 G CA 1.142 46.323 45.100 0.135 0.000 1.318 211 G HN 0.626 nan 8.290 nan 0.000 0.403 212 K N -1.821 118.572 120.400 -0.012 0.000 3.030 212 K HA -0.190 4.130 4.320 -0.000 0.000 0.384 212 K C 0.985 177.528 176.600 -0.096 0.000 0.560 212 K CA 1.909 58.073 56.287 -0.205 0.000 1.690 212 K CB -0.856 31.459 32.500 -0.308 0.000 1.009 212 K HN 0.579 nan 8.250 nan 0.000 0.444 213 K N 1.468 121.844 120.400 -0.039 0.000 2.316 213 K HA 0.351 4.670 4.320 -0.000 0.000 0.289 213 K C -0.520 176.079 176.600 -0.002 0.000 1.070 213 K CA 0.138 56.414 56.287 -0.018 0.000 0.928 213 K CB 0.541 33.039 32.500 -0.003 0.000 1.039 213 K HN 0.123 nan 8.250 nan 0.000 0.480 214 I N 2.897 123.463 120.570 -0.007 0.000 2.328 214 I HA 0.156 4.326 4.170 -0.000 0.000 0.287 214 I C -0.279 175.835 176.117 -0.005 0.000 1.012 214 I CA -0.388 60.911 61.300 -0.003 0.000 1.195 214 I CB 1.749 39.743 38.000 -0.011 0.000 1.350 214 I HN 0.465 nan 8.210 nan 0.000 0.464 215 T N 6.083 120.640 114.554 0.004 0.000 2.767 215 T HA 0.472 4.822 4.350 -0.000 0.000 0.288 215 T C -0.526 174.177 174.700 0.005 0.000 0.963 215 T CA -0.475 61.627 62.100 0.002 0.000 1.019 215 T CB 1.634 70.512 68.868 0.016 0.000 0.923 215 T HN 0.332 nan 8.240 nan 0.000 0.468 216 V N 4.579 124.488 119.914 -0.009 0.000 2.623 216 V HA 0.449 4.569 4.120 -0.000 0.000 0.304 216 V C -1.026 175.069 176.094 0.002 0.000 1.054 216 V CA -0.739 61.563 62.300 0.003 0.000 0.882 216 V CB 1.859 33.676 31.823 -0.011 0.000 1.002 216 V HN 0.789 nan 8.190 nan 0.000 0.424 217 Q N 3.713 123.530 119.800 0.027 0.000 2.221 217 Q HA 0.750 5.090 4.340 -0.000 0.000 0.242 217 Q C 0.095 176.115 176.000 0.033 0.000 0.940 217 Q CA -0.117 55.702 55.803 0.026 0.000 0.896 217 Q CB 2.069 30.828 28.738 0.034 0.000 1.226 217 Q HN 1.065 nan 8.270 nan 0.000 0.463 218 G N 1.112 109.927 108.800 0.027 0.000 2.704 218 G HA2 0.580 4.540 3.960 -0.000 0.000 0.293 218 G HA3 0.580 4.540 3.960 -0.000 0.000 0.293 218 G C -2.912 172.004 174.900 0.028 0.000 1.421 218 G CA -0.922 44.196 45.100 0.030 0.000 0.870 218 G HN 0.332 nan 8.290 nan 0.000 0.492 219 P HA 0.372 nan 4.420 nan 0.000 0.281 219 P C -0.980 176.354 177.300 0.056 0.000 1.249 219 P CA -0.315 62.808 63.100 0.039 0.000 0.810 219 P CB 1.702 33.422 31.700 0.033 0.000 1.008 220 Q N 0.785 120.627 119.800 0.070 0.000 2.342 220 Q HA 0.398 4.738 4.340 -0.000 0.000 0.267 220 Q C -0.469 175.590 176.000 0.098 0.000 1.038 220 Q CA -0.920 54.941 55.803 0.096 0.000 0.832 220 Q CB 2.236 31.044 28.738 0.116 0.000 1.323 220 Q HN 0.272 nan 8.270 nan 0.000 0.448 221 K N 2.749 123.213 120.400 0.107 0.000 2.244 221 K HA 0.541 4.861 4.320 -0.000 0.000 0.260 221 K C -0.777 175.900 176.600 0.129 0.000 0.951 221 K CA -0.445 55.905 56.287 0.105 0.000 0.826 221 K CB 1.502 34.054 32.500 0.087 0.000 1.108 221 K HN 0.483 nan 8.250 nan 0.000 0.433 222 L N 0.838 122.151 121.223 0.150 0.000 2.313 222 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 222 L C 0.160 177.145 176.870 0.192 0.000 1.010 222 L CA -0.858 54.104 54.840 0.205 0.000 0.814 222 L CB 1.923 44.166 42.059 0.307 0.000 1.304 222 L HN 0.504 nan 8.230 nan 0.000 0.441 223 T N -0.366 114.305 114.554 0.194 0.000 2.856 223 T HA 0.480 4.830 4.350 -0.000 0.000 0.283 223 T C 0.140 174.894 174.700 0.090 0.000 1.008 223 T CA -0.641 61.528 62.100 0.114 0.000 0.997 223 T CB 1.717 70.608 68.868 0.038 0.000 0.992 223 T HN 0.751 nan 8.240 nan 0.000 0.454 224 G N 2.204 111.042 108.800 0.062 0.000 2.380 224 G HA2 0.432 4.392 3.960 -0.000 0.000 0.242 224 G HA3 0.432 4.392 3.960 -0.000 0.000 0.242 224 G C -0.478 174.299 174.900 -0.206 0.000 1.298 224 G CA -0.275 44.826 45.100 0.003 0.000 0.878 224 G HN 0.480 nan 8.290 nan 0.000 0.542 225 Q N 0.334 119.885 119.800 -0.416 0.000 2.433 225 Q HA 0.311 4.651 4.340 -0.000 0.000 0.279 225 Q C -0.541 175.328 176.000 -0.218 0.000 1.105 225 Q CA -0.943 54.599 55.803 -0.435 0.000 0.815 225 Q CB 2.547 30.794 28.738 -0.817 0.000 1.403 225 Q HN 0.619 nan 8.270 nan 0.000 0.435 226 K N 1.613 121.939 120.400 -0.123 0.000 2.310 226 K HA 0.308 4.628 4.320 -0.000 0.000 0.290 226 K C -1.036 175.572 176.600 0.014 0.000 1.077 226 K CA -0.125 56.165 56.287 0.006 0.000 0.922 226 K CB 0.286 32.808 32.500 0.037 0.000 1.057 226 K HN 0.302 nan 8.250 nan 0.000 0.479 227 V N 5.262 125.222 119.914 0.077 0.000 2.370 227 V HA 0.222 4.342 4.120 -0.000 0.000 0.283 227 V C -0.262 175.931 176.094 0.165 0.000 1.023 227 V CA -0.917 61.435 62.300 0.087 0.000 0.857 227 V CB 1.583 33.469 31.823 0.105 0.000 0.985 227 V HN 0.426 nan 8.190 nan 0.000 0.443 228 V N 5.964 125.947 119.914 0.115 0.000 2.313 228 V HA 0.273 4.393 4.120 -0.000 0.000 0.278 228 V C 0.174 176.311 176.094 0.072 0.000 1.017 228 V CA -0.647 61.722 62.300 0.115 0.000 0.823 228 V CB 1.553 33.406 31.823 0.052 0.000 1.010 228 V HN 0.627 nan 8.190 nan 0.000 0.443 229 V N 8.539 128.496 119.914 0.071 0.000 2.485 229 V HA 0.126 4.246 4.120 -0.000 0.000 0.287 229 V C -1.811 174.299 176.094 0.028 0.000 1.022 229 V CA -0.926 61.396 62.300 0.038 0.000 1.067 229 V CB 0.772 32.606 31.823 0.018 0.000 0.967 229 V HN 0.729 nan 8.190 nan 0.000 0.479 230 P HA 0.202 nan 4.420 nan 0.000 0.271 230 P C 0.330 177.639 177.300 0.016 0.000 1.218 230 P CA 0.080 63.194 63.100 0.024 0.000 0.780 230 P CB 0.531 32.250 31.700 0.032 0.000 0.901 231 G N 1.333 110.149 108.800 0.026 0.000 2.491 231 G HA2 0.087 4.047 3.960 -0.000 0.000 0.242 231 G HA3 0.087 4.047 3.960 -0.000 0.000 0.242 231 G C -0.348 174.570 174.900 0.031 0.000 1.266 231 G CA -0.171 44.945 45.100 0.027 0.000 0.844 231 G HN 0.414 nan 8.290 nan 0.000 0.571 232 D N 0.917 121.328 120.400 0.018 0.000 2.417 232 D HA 0.025 4.665 4.640 -0.000 0.000 0.250 232 D C 1.663 178.000 176.300 0.062 0.000 1.166 232 D CA -0.281 53.736 54.000 0.028 0.000 0.881 232 D CB 0.720 41.525 40.800 0.009 0.000 1.164 232 D HN 0.230 nan 8.370 nan 0.000 0.467 233 I N 1.952 122.557 120.570 0.057 0.000 2.493 233 I HA -0.203 3.967 4.170 -0.000 0.000 0.254 233 I C 2.292 178.426 176.117 0.028 0.000 1.160 233 I CA 0.303 61.635 61.300 0.052 0.000 1.445 233 I CB -0.159 37.865 38.000 0.040 0.000 1.086 233 I HN 0.235 nan 8.210 nan 0.000 0.433 234 S N 0.532 116.251 115.700 0.031 0.000 2.368 234 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 234 S C 2.251 176.897 174.600 0.077 0.000 1.030 234 S CA 1.822 60.026 58.200 0.007 0.000 0.999 234 S CB -0.174 63.066 63.200 0.067 0.000 0.844 234 S HN 0.419 nan 8.310 nan 0.000 0.459 235 S N 1.253 117.070 115.700 0.195 0.000 2.414 235 S HA 0.152 4.622 4.470 -0.000 0.000 0.227 235 S C 2.114 176.965 174.600 0.419 0.000 1.022 235 S CA 0.704 59.136 58.200 0.387 0.000 0.958 235 S CB -0.245 63.045 63.200 0.149 0.000 0.797 235 S HN 0.573 nan 8.310 nan 0.000 0.493 236 A N 1.360 124.346 122.820 0.277 0.000 2.016 236 A HA 0.360 4.680 4.320 -0.000 0.000 0.217 236 A C 2.234 179.936 177.584 0.197 0.000 1.162 236 A CA 1.174 53.409 52.037 0.330 0.000 0.662 236 A CB -0.719 18.419 19.000 0.229 0.000 0.812 236 A HN 0.468 nan 8.150 nan 0.000 0.450 237 A N -0.985 121.840 122.820 0.008 0.000 2.015 237 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 237 A C 1.826 179.288 177.584 -0.204 0.000 1.163 237 A CA 1.113 53.071 52.037 -0.132 0.000 0.646 237 A CB -0.766 18.075 19.000 -0.266 0.000 0.806 237 A HN 0.496 nan 8.150 nan 0.000 0.448 238 F N -1.952 117.912 119.950 -0.143 0.000 2.234 238 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 238 F C 2.006 177.638 175.800 -0.281 0.000 1.087 238 F CA 1.071 58.893 58.000 -0.297 0.000 1.340 238 F CB -0.320 38.382 39.000 -0.497 0.000 1.031 238 F HN 0.404 nan 8.300 nan 0.000 0.500 239 W N -0.569 120.885 121.300 0.257 0.000 2.576 239 W HA 0.103 4.763 4.660 -0.000 0.000 0.275 239 W C 1.932 178.495 176.519 0.072 0.000 1.241 239 W CA -0.030 57.397 57.345 0.137 0.000 1.328 239 W CB -0.510 29.024 29.460 0.123 0.000 1.092 239 W HN -0.118 nan 8.180 nan 0.000 0.586 240 L N -0.206 121.162 121.223 0.242 0.000 2.093 240 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 240 L C 2.183 179.099 176.870 0.077 0.000 1.085 240 L CA 0.760 55.678 54.840 0.130 0.000 0.755 240 L CB -0.918 41.188 42.059 0.079 0.000 0.904 240 L HN -0.117 nan 8.230 nan 0.000 0.435 241 V N -0.249 119.695 119.914 0.050 0.000 2.379 241 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 241 V C 2.674 178.801 176.094 0.054 0.000 1.044 241 V CA 1.646 63.961 62.300 0.025 0.000 1.036 241 V CB -0.654 31.158 31.823 -0.017 0.000 0.664 241 V HN 0.448 nan 8.190 nan 0.000 0.453 242 A N 0.469 123.346 122.820 0.096 0.000 1.972 242 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 242 A C 2.356 179.995 177.584 0.091 0.000 1.169 242 A CA 1.790 53.892 52.037 0.108 0.000 0.635 242 A CB -1.018 18.086 19.000 0.173 0.000 0.810 242 A HN 0.528 nan 8.150 nan 0.000 0.446 243 G N -0.221 108.637 108.800 0.097 0.000 2.408 243 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.217 243 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.217 243 G C 1.468 176.382 174.900 0.023 0.000 1.150 243 G CA 0.968 46.097 45.100 0.049 0.000 0.776 243 G HN 0.444 nan 8.290 nan 0.000 0.542 244 L N -0.408 120.833 121.223 0.029 0.000 2.240 244 L HA 0.229 4.569 4.340 -0.000 0.000 0.211 244 L C 2.529 179.409 176.870 0.017 0.000 1.106 244 L CA 0.320 55.171 54.840 0.018 0.000 0.793 244 L CB -0.064 42.005 42.059 0.016 0.000 0.927 244 L HN 0.158 nan 8.230 nan 0.000 0.446 245 I N -0.642 119.942 120.570 0.023 0.000 2.731 245 I HA 0.057 4.227 4.170 -0.000 0.000 0.260 245 I C 1.412 177.542 176.117 0.020 0.000 1.138 245 I CA -0.032 61.281 61.300 0.021 0.000 1.461 245 I CB 0.239 38.253 38.000 0.023 0.000 1.128 245 I HN 0.076 nan 8.210 nan 0.000 0.438 246 A N 2.596 125.430 122.820 0.023 0.000 2.401 246 A HA 0.392 4.712 4.320 -0.000 0.000 0.259 246 A C -2.332 175.264 177.584 0.019 0.000 1.103 246 A CA -1.250 50.798 52.037 0.020 0.000 0.789 246 A CB -0.493 18.520 19.000 0.022 0.000 1.035 246 A HN -0.007 nan 8.150 nan 0.000 0.491 247 P HA 0.054 nan 4.420 nan 0.000 0.271 247 P C -0.650 176.686 177.300 0.059 0.000 1.218 247 P CA -0.181 62.939 63.100 0.034 0.000 0.780 247 P CB 0.312 32.031 31.700 0.032 0.000 0.901 248 N N -0.826 117.915 118.700 0.068 0.000 2.688 248 N HA -0.122 4.618 4.740 -0.000 0.000 0.258 248 N C -0.739 174.848 175.510 0.128 0.000 1.016 248 N CA 1.008 54.126 53.050 0.113 0.000 0.747 248 N CB -1.604 36.973 38.487 0.151 0.000 0.895 248 N HN 0.371 nan 8.380 nan 0.000 0.543 249 S N 0.240 115.936 115.700 -0.006 0.000 2.542 249 S HA 0.699 5.169 4.470 -0.000 0.000 0.293 249 S C 0.070 174.498 174.600 -0.286 0.000 1.089 249 S CA -0.808 57.268 58.200 -0.206 0.000 0.961 249 S CB 3.291 66.430 63.200 -0.101 0.000 1.062 249 S HN 0.419 nan 8.310 nan 0.000 0.483 250 R N 1.904 122.071 120.500 -0.554 0.000 2.508 250 R HA 0.515 4.855 4.340 -0.000 0.000 0.283 250 R C -2.127 174.035 176.300 -0.231 0.000 1.120 250 R CA -0.344 55.589 56.100 -0.280 0.000 0.958 250 R CB 0.697 30.917 30.300 -0.134 0.000 1.215 250 R HN 0.625 nan 8.270 nan 0.000 0.427 251 L N 4.005 125.167 121.223 -0.102 0.000 2.365 251 L HA 0.666 5.006 4.340 -0.000 0.000 0.273 251 L C -0.660 176.196 176.870 -0.023 0.000 1.000 251 L CA -1.288 53.515 54.840 -0.062 0.000 0.819 251 L CB 2.290 44.327 42.059 -0.037 0.000 1.284 251 L HN 0.230 nan 8.230 nan 0.000 0.418 252 V N 3.817 123.716 119.914 -0.025 0.000 2.459 252 V HA 0.468 4.588 4.120 -0.000 0.000 0.295 252 V C -0.381 175.707 176.094 -0.011 0.000 1.029 252 V CA -0.446 61.849 62.300 -0.008 0.000 0.874 252 V CB 1.963 33.783 31.823 -0.006 0.000 0.985 252 V HN 0.446 nan 8.190 nan 0.000 0.438 253 L N 4.986 126.218 121.223 0.016 0.000 2.316 253 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 253 L C 0.071 176.958 176.870 0.029 0.000 1.006 253 L CA -0.182 54.676 54.840 0.031 0.000 0.836 253 L CB 1.649 43.757 42.059 0.082 0.000 1.221 253 L HN 0.543 nan 8.230 nan 0.000 0.418 254 Q N 2.935 122.747 119.800 0.019 0.000 2.288 254 Q HA 0.195 4.535 4.340 -0.000 0.000 0.258 254 Q C -0.291 175.723 176.000 0.023 0.000 0.957 254 Q CA -0.347 55.464 55.803 0.014 0.000 0.919 254 Q CB 0.710 29.450 28.738 0.003 0.000 1.185 254 Q HN 0.497 nan 8.270 nan 0.000 0.408 255 N N 0.346 119.058 118.700 0.020 0.000 2.573 255 N HA -0.159 4.581 4.740 -0.000 0.000 0.280 255 N C -1.412 174.119 175.510 0.035 0.000 1.187 255 N CA 0.310 53.373 53.050 0.022 0.000 0.717 255 N CB -0.740 37.755 38.487 0.014 0.000 0.899 255 N HN 0.273 nan 8.380 nan 0.000 0.546 256 V N 0.222 120.161 119.914 0.042 0.000 2.483 256 V HA 0.693 4.813 4.120 -0.000 0.000 0.295 256 V C 1.527 177.650 176.094 0.048 0.000 1.035 256 V CA -0.482 61.850 62.300 0.054 0.000 0.896 256 V CB 1.799 33.664 31.823 0.070 0.000 0.986 256 V HN 0.591 nan 8.190 nan 0.000 0.447 257 G N 2.797 111.628 108.800 0.052 0.000 2.287 257 G HA2 0.180 4.140 3.960 -0.000 0.000 0.235 257 G HA3 0.180 4.140 3.960 -0.000 0.000 0.235 257 G C 0.035 174.970 174.900 0.059 0.000 1.258 257 G CA 0.281 45.417 45.100 0.060 0.000 0.884 257 G HN 0.737 nan 8.290 nan 0.000 0.518 258 I N 1.123 121.728 120.570 0.057 0.000 3.994 258 I HA 0.170 4.340 4.170 -0.000 0.000 0.323 258 I C 0.783 176.921 176.117 0.035 0.000 1.501 258 I CA -0.603 60.721 61.300 0.040 0.000 1.112 258 I CB -0.033 37.983 38.000 0.027 0.000 1.254 258 I HN 0.522 nan 8.210 nan 0.000 0.495 259 N N 0.717 119.452 118.700 0.058 0.000 2.412 259 N HA -0.088 4.652 4.740 -0.000 0.000 0.254 259 N C 1.207 176.713 175.510 -0.007 0.000 1.232 259 N CA 0.533 53.598 53.050 0.025 0.000 0.880 259 N CB 0.784 39.297 38.487 0.043 0.000 1.076 259 N HN 0.134 nan 8.380 nan 0.000 0.458 260 E N 0.504 120.682 120.200 -0.036 0.000 2.085 260 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 260 E C 1.455 178.029 176.600 -0.044 0.000 0.994 260 E CA 1.923 58.297 56.400 -0.043 0.000 0.801 260 E CB -0.280 29.383 29.700 -0.062 0.000 0.743 260 E HN 0.828 nan 8.360 nan 0.000 0.453 261 T N -1.992 112.530 114.554 -0.054 0.000 3.160 261 T HA 0.113 4.463 4.350 -0.000 0.000 0.257 261 T C 1.395 176.091 174.700 -0.005 0.000 1.147 261 T CA 0.237 62.317 62.100 -0.034 0.000 1.064 261 T CB 0.099 68.942 68.868 -0.040 0.000 0.949 261 T HN 0.010 nan 8.240 nan 0.000 0.526 262 R N 0.284 120.788 120.500 0.006 0.000 2.541 262 R HA 0.123 4.463 4.340 -0.000 0.000 0.332 262 R C 0.434 176.746 176.300 0.020 0.000 0.951 262 R CA 0.344 56.464 56.100 0.033 0.000 1.136 262 R CB 0.785 31.136 30.300 0.085 0.000 1.449 262 R HN 0.472 nan 8.270 nan 0.000 0.531 263 T N -2.133 112.425 114.554 0.006 0.000 3.256 263 T HA 0.175 4.525 4.350 -0.000 0.000 0.237 263 T C 1.302 175.996 174.700 -0.011 0.000 0.908 263 T CA -0.128 61.972 62.100 0.000 0.000 0.966 263 T CB 0.964 69.833 68.868 0.001 0.000 1.134 263 T HN 0.163 nan 8.240 nan 0.000 0.573 264 G N 1.348 110.140 108.800 -0.013 0.000 2.448 264 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.218 264 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.218 264 G C 1.182 176.067 174.900 -0.025 0.000 1.135 264 G CA 0.187 45.276 45.100 -0.020 0.000 0.784 264 G HN 0.595 nan 8.290 nan 0.000 0.543 265 I N 0.314 120.866 120.570 -0.030 0.000 2.394 265 I HA -0.011 4.159 4.170 -0.000 0.000 0.251 265 I C 2.457 178.560 176.117 -0.025 0.000 1.136 265 I CA 0.816 62.093 61.300 -0.038 0.000 1.425 265 I CB 0.016 37.983 38.000 -0.057 0.000 1.079 265 I HN 0.147 nan 8.210 nan 0.000 0.425 266 I N 0.592 121.153 120.570 -0.015 0.000 2.252 266 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 266 I C 1.770 177.880 176.117 -0.011 0.000 1.102 266 I CA 1.341 62.636 61.300 -0.009 0.000 1.385 266 I CB -0.468 37.530 38.000 -0.003 0.000 1.064 266 I HN 0.210 nan 8.210 nan 0.000 0.414 267 D N 0.048 120.439 120.400 -0.015 0.000 2.219 267 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 267 D C 2.304 178.594 176.300 -0.016 0.000 0.970 267 D CA 0.945 54.936 54.000 -0.016 0.000 0.851 267 D CB -0.153 40.636 40.800 -0.019 0.000 0.943 267 D HN 0.137 nan 8.370 nan 0.000 0.488 268 V N 0.649 120.552 119.914 -0.018 0.000 2.323 268 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 268 V C 2.406 178.491 176.094 -0.015 0.000 1.041 268 V CA 0.956 63.245 62.300 -0.019 0.000 1.025 268 V CB -0.272 31.535 31.823 -0.025 0.000 0.656 268 V HN 0.151 nan 8.190 nan 0.000 0.451 269 I N -0.669 119.893 120.570 -0.014 0.000 2.226 269 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 269 I C 2.779 178.892 176.117 -0.006 0.000 1.100 269 I CA 1.365 62.660 61.300 -0.009 0.000 1.374 269 I CB -0.426 37.571 38.000 -0.005 0.000 1.057 269 I HN 0.172 nan 8.210 nan 0.000 0.413 270 R N 0.668 121.164 120.500 -0.006 0.000 2.081 270 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 270 R C 2.338 178.635 176.300 -0.006 0.000 1.131 270 R CA 1.633 57.730 56.100 -0.005 0.000 0.960 270 R CB -0.655 29.641 30.300 -0.007 0.000 0.856 270 R HN 0.392 nan 8.270 nan 0.000 0.436 271 A N 0.573 123.388 122.820 -0.008 0.000 1.968 271 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 271 A C 2.168 179.748 177.584 -0.006 0.000 1.169 271 A CA 0.931 52.963 52.037 -0.008 0.000 0.638 271 A CB -0.283 18.712 19.000 -0.010 0.000 0.812 271 A HN 0.160 nan 8.150 nan 0.000 0.446 272 M N -1.502 118.094 119.600 -0.007 0.000 2.394 272 M HA 0.038 4.518 4.480 -0.000 0.000 0.264 272 M C 1.364 177.662 176.300 -0.003 0.000 1.073 272 M CA 1.183 56.480 55.300 -0.005 0.000 1.111 272 M CB -0.139 32.457 32.600 -0.006 0.000 1.401 272 M HN 0.701 nan 8.290 nan 0.000 0.448 273 G N 0.820 109.618 108.800 -0.002 0.000 2.141 273 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.195 273 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.195 273 G C 0.142 175.042 174.900 0.001 0.000 1.012 273 G CA -0.223 44.877 45.100 -0.000 0.000 0.696 273 G HN 0.636 nan 8.290 nan 0.000 0.508 274 G N -0.178 108.623 108.800 0.001 0.000 2.415 274 G HA2 0.511 4.471 3.960 -0.000 0.000 0.269 274 G HA3 0.511 4.471 3.960 -0.000 0.000 0.269 274 G C 0.269 175.172 174.900 0.004 0.000 1.209 274 G CA -0.639 44.463 45.100 0.003 0.000 0.835 274 G HN 0.335 nan 8.290 nan 0.000 0.534 275 K N 1.637 122.040 120.400 0.006 0.000 2.083 275 K HA 0.119 4.439 4.320 -0.000 0.000 0.246 275 K C -0.374 176.231 176.600 0.008 0.000 1.160 275 K CA -0.185 56.106 56.287 0.006 0.000 1.060 275 K CB 0.308 32.812 32.500 0.007 0.000 1.417 275 K HN 0.322 nan 8.250 nan 0.000 0.329 276 L N 1.705 122.933 121.223 0.008 0.000 2.272 276 L HA 0.250 4.590 4.340 -0.000 0.000 0.289 276 L C -0.638 176.237 176.870 0.010 0.000 1.032 276 L CA -0.131 54.715 54.840 0.011 0.000 0.810 276 L CB 0.974 43.040 42.059 0.011 0.000 1.205 276 L HN 0.323 nan 8.230 nan 0.000 0.422 277 E N 5.390 125.597 120.200 0.011 0.000 2.166 277 E HA 0.476 4.826 4.350 -0.000 0.000 0.275 277 E C -1.157 175.449 176.600 0.011 0.000 0.941 277 E CA -0.475 55.931 56.400 0.010 0.000 0.784 277 E CB 2.007 31.713 29.700 0.009 0.000 1.115 277 E HN 0.552 nan 8.360 nan 0.000 0.399 278 I N 2.860 123.435 120.570 0.009 0.000 2.382 278 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 278 I C -0.060 176.061 176.117 0.006 0.000 1.002 278 I CA -0.270 61.035 61.300 0.009 0.000 1.135 278 I CB 1.580 39.584 38.000 0.008 0.000 1.288 278 I HN 0.472 nan 8.210 nan 0.000 0.448 279 T N 0.404 114.962 114.554 0.007 0.000 2.887 279 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 279 T C -0.308 174.394 174.700 0.003 0.000 1.087 279 T CA -0.953 61.150 62.100 0.004 0.000 1.009 279 T CB 1.518 70.387 68.868 0.003 0.000 1.203 279 T HN 0.585 nan 8.240 nan 0.000 0.518 280 E N 0.055 120.255 120.200 0.000 0.000 2.222 280 E HA -0.159 4.191 4.350 -0.000 0.000 0.189 280 E C -0.778 175.822 176.600 -0.000 0.000 1.415 280 E CA 0.068 56.467 56.400 -0.002 0.000 0.689 280 E CB -1.685 28.013 29.700 -0.003 0.000 1.107 280 E HN 0.569 nan 8.360 nan 0.000 0.350 281 I N 1.216 121.786 120.570 -0.000 0.000 2.416 281 I HA 0.049 4.219 4.170 -0.000 0.000 0.288 281 I C 0.832 176.948 176.117 -0.002 0.000 1.051 281 I CA 0.104 61.405 61.300 0.001 0.000 1.375 281 I CB 0.526 38.526 38.000 0.001 0.000 1.407 281 I HN 0.147 nan 8.210 nan 0.000 0.516 282 D N 9.387 129.788 120.400 0.001 0.000 2.396 282 D HA 0.184 4.824 4.640 -0.000 0.000 0.225 282 D C -1.666 174.634 176.300 -0.000 0.000 1.121 282 D CA -1.735 52.264 54.000 -0.002 0.000 0.853 282 D CB 1.790 42.589 40.800 -0.001 0.000 1.043 282 D HN 0.278 nan 8.370 nan 0.000 0.500 283 P HA -0.088 nan 4.420 nan 0.000 0.224 283 P C 1.502 178.798 177.300 -0.006 0.000 1.157 283 P CA 0.492 63.589 63.100 -0.004 0.000 0.799 283 P CB 0.234 31.930 31.700 -0.007 0.000 0.809 284 V N -2.759 117.149 119.914 -0.011 0.000 2.788 284 V HA 0.252 4.371 4.120 -0.000 0.000 0.251 284 V C 2.151 178.240 176.094 -0.009 0.000 1.068 284 V CA 1.439 63.728 62.300 -0.017 0.000 1.090 284 V CB -1.601 30.203 31.823 -0.031 0.000 0.710 284 V HN 0.046 nan 8.190 nan 0.000 0.467 285 A N -1.147 121.674 122.820 0.002 0.000 2.343 285 A HA 0.419 4.739 4.320 -0.000 0.000 0.223 285 A C 0.931 178.536 177.584 0.036 0.000 1.214 285 A CA 0.093 52.142 52.037 0.019 0.000 0.900 285 A CB -0.166 18.845 19.000 0.017 0.000 0.942 285 A HN 0.499 nan 8.150 nan 0.000 0.507 286 K N 0.459 120.875 120.400 0.028 0.000 3.939 286 K HA -0.122 4.198 4.320 -0.000 0.000 0.281 286 K C -0.368 176.256 176.600 0.040 0.000 0.981 286 K CA 0.869 57.176 56.287 0.034 0.000 0.833 286 K CB -1.855 30.674 32.500 0.049 0.000 1.501 286 K HN 0.846 nan 8.250 nan 0.000 0.445 287 S N -0.830 114.887 115.700 0.028 0.000 2.541 287 S HA 0.911 5.381 4.470 -0.000 0.000 0.271 287 S C -0.870 173.741 174.600 0.020 0.000 1.133 287 S CA -0.489 57.728 58.200 0.028 0.000 0.876 287 S CB 2.657 65.873 63.200 0.027 0.000 1.105 287 S HN 0.709 nan 8.310 nan 0.000 0.470 288 A N 1.273 124.107 122.820 0.022 0.000 2.572 288 A HA 0.806 5.126 4.320 -0.000 0.000 0.295 288 A C -0.326 177.271 177.584 0.021 0.000 1.072 288 A CA -0.837 51.211 52.037 0.017 0.000 0.691 288 A CB 1.246 20.254 19.000 0.015 0.000 1.291 288 A HN 0.820 nan 8.150 nan 0.000 0.404 289 T N 1.800 116.364 114.554 0.016 0.000 2.814 289 T HA 0.437 4.787 4.350 -0.000 0.000 0.297 289 T C -0.571 174.142 174.700 0.021 0.000 0.956 289 T CA 0.464 62.574 62.100 0.017 0.000 1.123 289 T CB -0.209 68.665 68.868 0.010 0.000 0.902 289 T HN 0.331 nan 8.240 nan 0.000 0.528 290 L N 5.146 126.387 121.223 0.030 0.000 2.298 290 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 290 L C -0.311 176.578 176.870 0.032 0.000 1.013 290 L CA -0.270 54.590 54.840 0.034 0.000 0.824 290 L CB 1.061 43.148 42.059 0.048 0.000 1.221 290 L HN 0.603 nan 8.230 nan 0.000 0.418 291 I N 3.932 124.516 120.570 0.023 0.000 2.441 291 I HA 0.620 4.790 4.170 -0.000 0.000 0.295 291 I C -0.584 175.544 176.117 0.018 0.000 0.994 291 I CA -0.837 60.474 61.300 0.018 0.000 1.144 291 I CB 2.102 40.109 38.000 0.011 0.000 1.314 291 I HN 0.138 nan 8.210 nan 0.000 0.445 292 V N 5.713 125.637 119.914 0.016 0.000 2.760 292 V HA 0.411 4.531 4.120 -0.000 0.000 0.309 292 V C -0.540 175.552 176.094 -0.003 0.000 1.077 292 V CA -0.430 61.879 62.300 0.015 0.000 0.910 292 V CB 2.346 34.189 31.823 0.033 0.000 1.008 292 V HN 0.917 nan 8.190 nan 0.000 0.424 293 E N 2.338 122.535 120.200 -0.004 0.000 2.393 293 E HA 0.629 4.979 4.350 -0.000 0.000 0.265 293 E C -0.917 175.679 176.600 -0.006 0.000 0.941 293 E CA -0.916 55.473 56.400 -0.017 0.000 0.801 293 E CB 1.725 31.419 29.700 -0.010 0.000 1.313 293 E HN 0.399 nan 8.360 nan 0.000 0.435 294 S N 0.811 116.507 115.700 -0.007 0.000 2.525 294 S HA 0.245 4.715 4.470 -0.000 0.000 0.285 294 S C -0.607 173.998 174.600 0.009 0.000 1.283 294 S CA -0.259 57.944 58.200 0.004 0.000 1.072 294 S CB 0.141 63.347 63.200 0.010 0.000 0.867 294 S HN 0.456 nan 8.310 nan 0.000 0.492 295 S N 1.575 117.280 115.700 0.009 0.000 2.588 295 S HA 0.390 4.860 4.470 -0.000 0.000 0.275 295 S C -1.393 173.212 174.600 0.008 0.000 1.130 295 S CA -1.110 57.095 58.200 0.009 0.000 0.855 295 S CB 1.303 64.507 63.200 0.007 0.000 1.116 295 S HN 0.650 nan 8.310 nan 0.000 0.472 296 D N 1.886 122.290 120.400 0.008 0.000 2.280 296 D HA 0.362 5.002 4.640 -0.000 0.000 0.243 296 D C -0.722 175.581 176.300 0.004 0.000 1.129 296 D CA -0.296 53.708 54.000 0.007 0.000 0.848 296 D CB 0.975 41.779 40.800 0.007 0.000 1.107 296 D HN 0.103 nan 8.370 nan 0.000 0.471 297 L N 2.298 123.523 121.223 0.003 0.000 2.344 297 L HA 0.437 4.777 4.340 -0.000 0.000 0.272 297 L C 0.554 177.424 176.870 0.000 0.000 1.035 297 L CA -0.487 54.354 54.840 0.001 0.000 0.807 297 L CB 1.140 43.199 42.059 -0.000 0.000 1.237 297 L HN 0.135 nan 8.230 nan 0.000 0.442 298 K N 0.453 120.852 120.400 -0.001 0.000 2.385 298 K HA 0.552 4.872 4.320 -0.000 0.000 0.248 298 K C -0.204 176.394 176.600 -0.003 0.000 0.955 298 K CA -0.695 55.591 56.287 -0.002 0.000 0.816 298 K CB 2.110 34.609 32.500 -0.001 0.000 1.250 298 K HN 0.723 nan 8.250 nan 0.000 0.434 299 G N 1.021 109.819 108.800 -0.003 0.000 2.398 299 G HA2 0.322 4.282 3.960 -0.000 0.000 0.246 299 G HA3 0.322 4.282 3.960 -0.000 0.000 0.246 299 G C -0.167 174.729 174.900 -0.005 0.000 1.289 299 G CA 0.143 45.240 45.100 -0.005 0.000 0.869 299 G HN 0.515 nan 8.290 nan 0.000 0.543 300 T N -0.526 114.023 114.554 -0.007 0.000 2.896 300 T HA 0.556 4.906 4.350 -0.000 0.000 0.297 300 T C -0.699 173.996 174.700 -0.008 0.000 1.108 300 T CA -0.910 61.185 62.100 -0.008 0.000 1.004 300 T CB 2.567 71.429 68.868 -0.009 0.000 1.159 300 T HN 0.461 nan 8.240 nan 0.000 0.499 301 E N 0.720 120.915 120.200 -0.008 0.000 2.146 301 E HA 0.473 4.823 4.350 -0.000 0.000 0.282 301 E C -1.105 175.489 176.600 -0.010 0.000 0.989 301 E CA -0.679 55.716 56.400 -0.008 0.000 0.799 301 E CB 0.505 30.201 29.700 -0.007 0.000 1.088 301 E HN 0.505 nan 8.360 nan 0.000 0.397 302 I N 6.074 126.638 120.570 -0.010 0.000 2.359 302 I HA 0.255 4.425 4.170 -0.000 0.000 0.284 302 I C 0.132 176.243 176.117 -0.009 0.000 1.018 302 I CA -0.487 60.806 61.300 -0.012 0.000 1.173 302 I CB 0.472 38.463 38.000 -0.015 0.000 1.326 302 I HN 0.612 nan 8.210 nan 0.000 0.462 303 C N 2.454 121.750 119.300 -0.008 0.000 3.680 303 C HA 0.896 5.355 4.460 -0.000 0.000 0.341 303 C C 1.075 176.063 174.990 -0.004 0.000 3.788 303 C CA -0.787 58.228 59.018 -0.005 0.000 1.552 303 C CB 0.277 28.015 27.740 -0.004 0.000 4.276 303 C HN 0.767 nan 8.230 nan 0.000 0.531 304 G N -0.353 108.447 108.800 -0.001 0.000 2.464 304 G HA2 0.459 4.419 3.960 -0.000 0.000 0.231 304 G HA3 0.459 4.419 3.960 -0.000 0.000 0.231 304 G C 1.120 176.022 174.900 0.003 0.000 1.267 304 G CA 1.227 46.329 45.100 0.003 0.000 0.863 304 G HN 2.557 nan 8.290 nan 0.000 0.559 305 A N 1.150 123.976 122.820 0.010 0.000 3.275 305 A HA -0.241 4.079 4.320 -0.000 0.000 0.241 305 A C 1.941 179.524 177.584 -0.001 0.000 0.607 305 A CA 1.899 53.941 52.037 0.009 0.000 1.181 305 A CB -1.624 17.377 19.000 0.001 0.000 1.304 305 A HN 1.021 nan 8.150 nan 0.000 0.682 306 L N -0.154 121.066 121.223 -0.006 0.000 2.179 306 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 306 L C 2.383 179.249 176.870 -0.007 0.000 1.096 306 L CA 1.134 55.967 54.840 -0.011 0.000 0.779 306 L CB -0.224 41.827 42.059 -0.014 0.000 0.922 306 L HN 0.620 nan 8.230 nan 0.000 0.443 307 I N 0.839 121.407 120.570 -0.003 0.000 2.127 307 I HA -0.198 3.972 4.170 -0.000 0.000 0.241 307 I C -0.228 175.891 176.117 0.003 0.000 1.075 307 I CA 1.718 63.017 61.300 -0.002 0.000 1.334 307 I CB -2.579 35.422 38.000 0.001 0.000 1.040 307 I HN 0.192 nan 8.210 nan 0.000 0.405 308 P HA -0.085 nan 4.420 nan 0.000 0.225 308 P C 1.488 178.798 177.300 0.018 0.000 1.148 308 P CA 1.252 64.364 63.100 0.020 0.000 0.779 308 P CB -0.105 31.614 31.700 0.032 0.000 0.780 309 R N -0.812 119.693 120.500 0.008 0.000 2.280 309 R HA 0.174 4.514 4.340 -0.000 0.000 0.195 309 R C 0.922 177.221 176.300 -0.002 0.000 0.935 309 R CA 0.613 56.715 56.100 0.003 0.000 1.033 309 R CB -0.149 30.146 30.300 -0.008 0.000 0.964 309 R HN 0.244 nan 8.270 nan 0.000 0.489 310 L N -3.848 117.371 121.223 -0.008 0.000 3.429 310 L HA 0.370 4.710 4.340 -0.000 0.000 0.311 310 L C 1.062 177.918 176.870 -0.023 0.000 1.274 310 L CA 0.059 54.886 54.840 -0.021 0.000 1.037 310 L CB 0.016 42.057 42.059 -0.030 0.000 1.433 310 L HN -0.176 nan 8.230 nan 0.000 0.614 311 I N 0.934 121.499 120.570 -0.008 0.000 2.423 311 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 311 I C 1.519 177.629 176.117 -0.012 0.000 1.151 311 I CA 1.781 63.077 61.300 -0.006 0.000 1.421 311 I CB 0.054 38.058 38.000 0.007 0.000 1.079 311 I HN 0.376 nan 8.210 nan 0.000 0.431 312 D N -0.124 120.269 120.400 -0.011 0.000 2.333 312 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 312 D C 1.433 177.695 176.300 -0.064 0.000 0.984 312 D CA 0.558 54.549 54.000 -0.014 0.000 0.873 312 D CB 0.116 40.926 40.800 0.016 0.000 0.935 312 D HN 0.400 nan 8.370 nan 0.000 0.521 313 E N 0.103 120.251 120.200 -0.085 0.000 2.463 313 E HA 0.155 4.505 4.350 -0.000 0.000 0.193 313 E C 1.876 178.397 176.600 -0.131 0.000 1.041 313 E CA -0.162 56.147 56.400 -0.152 0.000 0.879 313 E CB 0.152 29.767 29.700 -0.142 0.000 0.997 313 E HN 0.174 nan 8.360 nan 0.000 0.478 314 L N 0.767 121.939 121.223 -0.085 0.000 2.042 314 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 314 L C -0.714 176.118 176.870 -0.065 0.000 1.076 314 L CA 1.399 56.201 54.840 -0.063 0.000 0.749 314 L CB -1.152 40.883 42.059 -0.041 0.000 0.893 314 L HN 0.185 nan 8.230 nan 0.000 0.432 315 P HA -0.190 nan 4.420 nan 0.000 0.215 315 P C 1.550 178.820 177.300 -0.051 0.000 1.157 315 P CA 1.594 64.667 63.100 -0.045 0.000 0.874 315 P CB -0.085 31.600 31.700 -0.026 0.000 0.790 316 I N -3.601 116.904 120.570 -0.108 0.000 2.761 316 I HA -0.034 4.136 4.170 -0.000 0.000 0.261 316 I C 2.220 178.282 176.117 -0.092 0.000 1.198 316 I CA 1.051 62.284 61.300 -0.112 0.000 1.482 316 I CB -0.966 36.876 38.000 -0.264 0.000 1.100 316 I HN -0.181 nan 8.210 nan 0.000 0.445 317 I N 1.627 122.141 120.570 -0.094 0.000 2.315 317 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 317 I C 2.784 178.876 176.117 -0.042 0.000 1.117 317 I CA 1.360 62.621 61.300 -0.065 0.000 1.404 317 I CB -0.264 37.699 38.000 -0.062 0.000 1.071 317 I HN 0.309 nan 8.210 nan 0.000 0.419 318 A N 0.341 123.139 122.820 -0.038 0.000 1.969 318 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 318 A C 2.318 179.890 177.584 -0.020 0.000 1.169 318 A CA 1.119 53.140 52.037 -0.025 0.000 0.635 318 A CB -0.614 18.373 19.000 -0.022 0.000 0.810 318 A HN 0.418 nan 8.150 nan 0.000 0.445 319 L N -0.581 120.630 121.223 -0.020 0.000 2.109 319 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 319 L C 2.203 179.065 176.870 -0.012 0.000 1.086 319 L CA 1.298 56.131 54.840 -0.012 0.000 0.760 319 L CB -0.443 41.615 42.059 -0.002 0.000 0.910 319 L HN 0.425 nan 8.230 nan 0.000 0.437 320 L N 0.007 121.218 121.223 -0.019 0.000 2.141 320 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 320 L C 2.492 179.354 176.870 -0.013 0.000 1.094 320 L CA 1.384 56.214 54.840 -0.016 0.000 0.763 320 L CB -0.418 41.626 42.059 -0.025 0.000 0.908 320 L HN 0.297 nan 8.230 nan 0.000 0.437 321 A N -1.524 121.286 122.820 -0.016 0.000 2.067 321 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 321 A C 2.138 179.716 177.584 -0.010 0.000 1.156 321 A CA 1.563 53.592 52.037 -0.013 0.000 0.683 321 A CB -0.555 18.436 19.000 -0.015 0.000 0.808 321 A HN 0.372 nan 8.150 nan 0.000 0.455 322 T N -0.191 114.356 114.554 -0.011 0.000 2.915 322 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 322 T C 1.653 176.349 174.700 -0.007 0.000 1.071 322 T CA 1.351 63.444 62.100 -0.010 0.000 1.132 322 T CB -0.143 68.717 68.868 -0.014 0.000 0.878 322 T HN 0.439 nan 8.240 nan 0.000 0.479 323 Q N 0.001 119.798 119.800 -0.005 0.000 2.282 323 Q HA 0.401 4.741 4.340 -0.000 0.000 0.206 323 Q C 0.415 176.415 176.000 0.000 0.000 0.878 323 Q CA -0.133 55.669 55.803 -0.001 0.000 0.944 323 Q CB 0.422 29.161 28.738 0.002 0.000 1.100 323 Q HN 0.434 nan 8.270 nan 0.000 0.509 324 A N 1.302 124.121 122.820 -0.002 0.000 2.327 324 A HA 0.298 4.618 4.320 -0.000 0.000 0.283 324 A C 0.186 177.770 177.584 -0.001 0.000 1.127 324 A CA -0.381 51.655 52.037 -0.002 0.000 0.810 324 A CB 0.571 19.569 19.000 -0.004 0.000 1.066 324 A HN 0.008 nan 8.150 nan 0.000 0.492 325 Q N 0.886 120.686 119.800 0.001 0.000 2.295 325 Q HA 0.477 4.817 4.340 -0.000 0.000 0.259 325 Q C 0.670 176.670 176.000 0.000 0.000 0.976 325 Q CA 1.242 57.046 55.803 0.001 0.000 0.923 325 Q CB 1.178 29.918 28.738 0.003 0.000 1.185 325 Q HN 1.498 nan 8.270 nan 0.000 0.410 326 G N 0.990 109.790 108.800 0.000 0.000 2.428 326 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.202 326 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.202 326 G C -1.267 173.632 174.900 -0.001 0.000 1.247 326 G CA -0.676 44.424 45.100 -0.000 0.000 1.020 326 G HN 0.447 nan 8.290 nan 0.000 0.529 327 V N 1.019 120.931 119.914 -0.002 0.000 2.448 327 V HA 0.716 4.836 4.120 -0.000 0.000 0.295 327 V C 0.604 176.696 176.094 -0.004 0.000 1.025 327 V CA 0.287 62.585 62.300 -0.003 0.000 0.859 327 V CB 1.344 33.166 31.823 -0.002 0.000 0.988 327 V HN 1.552 nan 8.190 nan 0.000 0.431 328 T N 3.296 117.846 114.554 -0.006 0.000 2.770 328 T HA 0.706 5.056 4.350 -0.000 0.000 0.283 328 T C -0.825 173.871 174.700 -0.008 0.000 0.988 328 T CA -0.499 61.597 62.100 -0.007 0.000 0.957 328 T CB 1.303 70.165 68.868 -0.009 0.000 0.930 328 T HN 0.330 nan 8.240 nan 0.000 0.443 329 V N 6.003 125.912 119.914 -0.008 0.000 2.417 329 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 329 V C -0.044 176.045 176.094 -0.009 0.000 1.024 329 V CA -0.867 61.428 62.300 -0.007 0.000 0.861 329 V CB 1.275 33.094 31.823 -0.006 0.000 0.985 329 V HN 0.897 nan 8.190 nan 0.000 0.436 330 I N 6.325 126.889 120.570 -0.009 0.000 2.339 330 I HA 0.506 4.676 4.170 -0.000 0.000 0.290 330 I C 0.183 176.295 176.117 -0.008 0.000 0.994 330 I CA -0.130 61.164 61.300 -0.010 0.000 1.191 330 I CB 1.031 39.023 38.000 -0.013 0.000 1.343 330 I HN 0.691 nan 8.210 nan 0.000 0.458 331 K N 2.688 123.084 120.400 -0.007 0.000 2.409 331 K HA 0.652 4.972 4.320 -0.000 0.000 0.252 331 K C -0.895 175.702 176.600 -0.004 0.000 1.036 331 K CA -0.983 55.301 56.287 -0.005 0.000 0.871 331 K CB 1.294 33.792 32.500 -0.004 0.000 1.374 331 K HN 0.404 nan 8.250 nan 0.000 0.459 332 D N -0.806 119.593 120.400 -0.002 0.000 2.870 332 D HA -0.161 4.479 4.640 -0.000 0.000 0.228 332 D C -1.170 175.130 176.300 0.000 0.000 1.147 332 D CA 1.300 55.300 54.000 -0.000 0.000 0.757 332 D CB -1.083 39.718 40.800 0.001 0.000 1.091 332 D HN 0.731 nan 8.370 nan 0.000 0.429 333 A N 1.289 124.108 122.820 -0.002 0.000 2.545 333 A HA 0.524 4.844 4.320 -0.000 0.000 0.300 333 A C 0.461 178.044 177.584 -0.002 0.000 1.252 333 A CA -0.706 51.330 52.037 -0.002 0.000 0.753 333 A CB 0.774 19.771 19.000 -0.005 0.000 1.144 333 A HN 0.240 nan 8.150 nan 0.000 0.457 334 E N 1.494 121.694 120.200 -0.000 0.000 3.306 334 E HA 0.233 4.583 4.350 -0.000 0.000 0.197 334 E C -0.788 175.813 176.600 0.001 0.000 0.980 334 E CA -0.203 56.197 56.400 -0.001 0.000 1.259 334 E CB 0.400 30.100 29.700 -0.001 0.000 1.112 334 E HN 0.414 nan 8.360 nan 0.000 0.458 335 E N 0.480 120.682 120.200 0.002 0.000 2.548 335 E HA 0.163 4.513 4.350 -0.000 0.000 0.206 335 E C 1.061 177.664 176.600 0.005 0.000 1.005 335 E CA -0.137 56.267 56.400 0.005 0.000 0.951 335 E CB 0.378 30.083 29.700 0.009 0.000 1.035 335 E HN 0.182 nan 8.360 nan 0.000 0.470 336 L N 0.106 121.330 121.223 0.002 0.000 2.642 336 L HA -0.005 4.335 4.340 -0.000 0.000 0.236 336 L C 0.610 177.481 176.870 0.002 0.000 1.169 336 L CA 1.216 56.057 54.840 0.001 0.000 0.851 336 L CB -0.520 41.536 42.059 -0.004 0.000 0.968 336 L HN 0.055 nan 8.230 nan 0.000 0.453 337 K N -2.088 118.314 120.400 0.003 0.000 3.564 337 K HA 0.245 4.565 4.320 -0.000 0.000 0.154 337 K C 0.434 177.036 176.600 0.003 0.000 1.056 337 K CA 0.405 56.694 56.287 0.003 0.000 0.786 337 K CB -0.211 32.288 32.500 -0.002 0.000 0.802 337 K HN -0.204 nan 8.250 nan 0.000 0.451 338 V N -0.271 119.646 119.914 0.006 0.000 0.508 338 V HA -0.436 3.684 4.120 -0.000 0.000 0.092 338 V C 0.481 176.577 176.094 0.004 0.000 2.282 338 V CA 2.249 64.552 62.300 0.006 0.000 3.591 338 V CB -0.760 31.066 31.823 0.005 0.000 0.878 338 V HN 0.471 nan 8.190 nan 0.000 0.919 339 K N -0.104 120.297 120.400 0.002 0.000 2.817 339 K HA 0.371 4.691 4.320 -0.000 0.000 0.183 339 K C -0.200 176.399 176.600 -0.002 0.000 1.145 339 K CA 0.064 56.350 56.287 0.000 0.000 1.114 339 K CB 1.460 33.960 32.500 0.000 0.000 0.767 339 K HN 0.695 nan 8.250 nan 0.000 0.453 340 E N 1.018 121.216 120.200 -0.003 0.000 2.367 340 E HA 0.427 4.776 4.350 -0.000 0.000 0.273 340 E C -1.347 175.249 176.600 -0.007 0.000 0.903 340 E CA -0.455 55.942 56.400 -0.006 0.000 0.764 340 E CB 2.143 31.838 29.700 -0.007 0.000 1.252 340 E HN 0.020 nan 8.360 nan 0.000 0.446 341 T N 1.507 116.054 114.554 -0.011 0.000 2.894 341 T HA 0.243 4.593 4.350 -0.000 0.000 0.309 341 T C -0.329 174.360 174.700 -0.019 0.000 1.208 341 T CA -0.741 61.352 62.100 -0.012 0.000 1.016 341 T CB 1.337 70.199 68.868 -0.010 0.000 1.192 341 T HN 0.596 nan 8.240 nan 0.000 0.491 342 D N 0.213 120.600 120.400 -0.021 0.000 2.473 342 D HA 0.031 4.671 4.640 -0.000 0.000 0.230 342 D C 1.580 177.864 176.300 -0.027 0.000 1.097 342 D CA -0.301 53.680 54.000 -0.031 0.000 0.861 342 D CB 0.306 41.081 40.800 -0.042 0.000 1.114 342 D HN 0.364 nan 8.370 nan 0.000 0.500 343 R N 0.955 121.445 120.500 -0.017 0.000 2.081 343 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 343 R C 2.300 178.593 176.300 -0.012 0.000 1.131 343 R CA 0.985 57.078 56.100 -0.012 0.000 0.960 343 R CB -0.192 30.101 30.300 -0.011 0.000 0.856 343 R HN 0.062 nan 8.270 nan 0.000 0.436 344 I N 0.565 121.127 120.570 -0.014 0.000 2.315 344 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 344 I C 2.644 178.754 176.117 -0.011 0.000 1.117 344 I CA 1.037 62.329 61.300 -0.013 0.000 1.404 344 I CB -0.244 37.749 38.000 -0.013 0.000 1.071 344 I HN 0.239 nan 8.210 nan 0.000 0.419 345 Q N 0.323 120.114 119.800 -0.015 0.000 2.119 345 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 345 Q C 2.449 178.442 176.000 -0.012 0.000 0.972 345 Q CA 1.430 57.223 55.803 -0.017 0.000 0.847 345 Q CB -0.106 28.615 28.738 -0.028 0.000 0.903 345 Q HN 0.385 nan 8.270 nan 0.000 0.433 346 V N -0.082 119.826 119.914 -0.010 0.000 2.358 346 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 346 V C 2.469 178.578 176.094 0.025 0.000 1.047 346 V CA 1.156 63.464 62.300 0.014 0.000 1.035 346 V CB -0.479 31.360 31.823 0.026 0.000 0.658 346 V HN 0.094 nan 8.190 nan 0.000 0.452 347 V N 0.310 120.230 119.914 0.010 0.000 2.343 347 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 347 V C 2.679 178.775 176.094 0.004 0.000 1.051 347 V CA 2.083 64.386 62.300 0.006 0.000 1.036 347 V CB -1.039 30.781 31.823 -0.005 0.000 0.654 347 V HN 0.565 nan 8.190 nan 0.000 0.451 348 A N 0.074 122.895 122.820 0.001 0.000 1.845 348 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 348 A C 1.977 179.564 177.584 0.006 0.000 1.195 348 A CA 2.143 54.181 52.037 0.000 0.000 0.616 348 A CB -0.810 18.188 19.000 -0.002 0.000 0.832 348 A HN 0.523 nan 8.150 nan 0.000 0.443 349 D N -0.076 120.332 120.400 0.013 0.000 2.182 349 D HA -0.035 4.604 4.640 -0.000 0.000 0.201 349 D C 2.052 178.371 176.300 0.031 0.000 0.986 349 D CA 1.502 55.516 54.000 0.024 0.000 0.847 349 D CB -0.269 40.550 40.800 0.032 0.000 0.942 349 D HN 0.450 nan 8.370 nan 0.000 0.467 350 A N -0.310 122.529 122.820 0.031 0.000 1.930 350 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 350 A C 2.196 179.782 177.584 0.002 0.000 1.176 350 A CA 0.550 52.604 52.037 0.027 0.000 0.632 350 A CB -0.332 18.688 19.000 0.033 0.000 0.819 350 A HN 0.186 nan 8.150 nan 0.000 0.445 351 L N -0.044 121.176 121.223 -0.005 0.000 2.168 351 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 351 L C 2.145 178.992 176.870 -0.039 0.000 1.078 351 L CA 1.152 55.978 54.840 -0.024 0.000 0.780 351 L CB -0.424 41.624 42.059 -0.018 0.000 0.939 351 L HN 0.607 nan 8.230 nan 0.000 0.451 352 N N -0.937 117.750 118.700 -0.021 0.000 2.494 352 N HA -0.150 4.590 4.740 -0.000 0.000 0.182 352 N C 1.584 177.085 175.510 -0.014 0.000 1.076 352 N CA 1.067 54.106 53.050 -0.018 0.000 0.908 352 N CB -0.429 38.056 38.487 -0.002 0.000 0.967 352 N HN 0.236 nan 8.380 nan 0.000 0.449 353 S N -0.749 114.944 115.700 -0.012 0.000 2.461 353 S HA 0.095 4.565 4.470 -0.000 0.000 0.228 353 S C 1.746 176.308 174.600 -0.064 0.000 1.005 353 S CA 0.243 58.449 58.200 0.009 0.000 0.942 353 S CB -0.271 62.946 63.200 0.029 0.000 0.776 353 S HN 0.254 nan 8.310 nan 0.000 0.514 354 M N 0.771 120.271 119.600 -0.167 0.000 2.556 354 M HA 0.306 4.786 4.480 -0.000 0.000 0.264 354 M C 1.017 176.974 176.300 -0.572 0.000 1.163 354 M CA 0.784 55.861 55.300 -0.373 0.000 1.186 354 M CB 0.421 32.908 32.600 -0.187 0.000 1.321 354 M HN 0.509 nan 8.290 nan 0.000 0.485 355 G N -0.903 107.741 108.800 -0.261 0.000 2.759 355 G HA2 0.585 4.545 3.960 -0.000 0.000 0.297 355 G HA3 0.585 4.545 3.960 -0.000 0.000 0.297 355 G C -0.132 174.734 174.900 -0.057 0.000 1.434 355 G CA -0.300 44.705 45.100 -0.158 0.000 0.980 355 G HN 0.352 nan 8.290 nan 0.000 0.531 356 A N 0.931 123.743 122.820 -0.012 0.000 4.264 356 A HA -0.229 4.091 4.320 -0.000 0.000 0.855 356 A C 0.769 178.354 177.584 0.002 0.000 1.351 356 A CA 1.824 53.866 52.037 0.007 0.000 2.862 356 A CB -1.120 17.885 19.000 0.009 0.000 1.560 356 A HN 0.883 nan 8.150 nan 0.000 0.906 357 D N 0.075 120.476 120.400 0.001 0.000 2.232 357 D HA 0.608 5.248 4.640 -0.000 0.000 0.242 357 D C -1.093 175.206 176.300 -0.003 0.000 1.093 357 D CA -0.012 53.989 54.000 0.001 0.000 0.845 357 D CB 0.439 41.241 40.800 0.003 0.000 1.124 357 D HN 0.370 nan 8.370 nan 0.000 0.467 358 I N 2.470 123.038 120.570 -0.003 0.000 2.586 358 I HA 0.106 4.276 4.170 -0.000 0.000 0.288 358 I C -0.777 175.338 176.117 -0.003 0.000 1.147 358 I CA -0.448 60.849 61.300 -0.004 0.000 1.047 358 I CB 2.442 40.438 38.000 -0.007 0.000 1.244 358 I HN 0.174 nan 8.210 nan 0.000 0.429 359 T N 6.432 120.984 114.554 -0.003 0.000 2.815 359 T HA 0.434 4.784 4.350 -0.000 0.000 0.289 359 T C -2.647 172.050 174.700 -0.004 0.000 1.000 359 T CA -1.517 60.581 62.100 -0.003 0.000 0.958 359 T CB 1.602 70.469 68.868 -0.002 0.000 0.944 359 T HN 0.176 nan 8.240 nan 0.000 0.442 360 P HA 0.425 nan 4.420 nan 0.000 0.275 360 P C -0.451 176.845 177.300 -0.006 0.000 1.228 360 P CA -0.294 62.802 63.100 -0.007 0.000 0.786 360 P CB 0.604 32.299 31.700 -0.008 0.000 0.927 361 T N -0.036 114.514 114.554 -0.007 0.000 2.907 361 T HA 0.502 4.852 4.350 -0.000 0.000 0.290 361 T C 1.188 175.885 174.700 -0.006 0.000 1.066 361 T CA -0.412 61.684 62.100 -0.006 0.000 1.012 361 T CB 1.661 70.526 68.868 -0.005 0.000 1.184 361 T HN 0.222 nan 8.240 nan 0.000 0.522 362 A N 0.845 123.661 122.820 -0.006 0.000 2.015 362 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 362 A C 1.407 178.988 177.584 -0.005 0.000 1.163 362 A CA 1.605 53.639 52.037 -0.005 0.000 0.646 362 A CB -0.438 18.560 19.000 -0.005 0.000 0.806 362 A HN 0.865 nan 8.150 nan 0.000 0.448 363 D N -3.079 117.318 120.400 -0.005 0.000 2.563 363 D HA 0.419 5.059 4.640 -0.000 0.000 0.237 363 D C 0.623 176.920 176.300 -0.005 0.000 1.282 363 D CA 0.800 54.797 54.000 -0.004 0.000 0.816 363 D CB -0.028 40.770 40.800 -0.003 0.000 1.066 363 D HN 0.468 nan 8.370 nan 0.000 0.501 364 G N 0.389 109.185 108.800 -0.007 0.000 2.564 364 G HA2 0.407 4.367 3.960 -0.000 0.000 0.139 364 G HA3 0.407 4.367 3.960 -0.000 0.000 0.139 364 G C -1.451 173.444 174.900 -0.009 0.000 1.147 364 G CA -0.132 44.963 45.100 -0.008 0.000 1.031 364 G HN 0.388 nan 8.290 nan 0.000 0.482 365 M N -1.083 118.511 119.600 -0.009 0.000 2.603 365 M HA 0.817 5.297 4.480 -0.000 0.000 0.275 365 M C -2.004 174.292 176.300 -0.008 0.000 1.226 365 M CA -0.856 54.439 55.300 -0.009 0.000 0.870 365 M CB 2.229 34.823 32.600 -0.010 0.000 1.716 365 M HN 0.369 nan 8.290 nan 0.000 0.482 366 I N 2.473 123.039 120.570 -0.007 0.000 2.389 366 I HA 0.528 4.698 4.170 -0.000 0.000 0.288 366 I C -1.244 174.870 176.117 -0.006 0.000 0.999 366 I CA -0.458 60.839 61.300 -0.006 0.000 1.129 366 I CB 1.957 39.954 38.000 -0.004 0.000 1.288 366 I HN 0.574 nan 8.210 nan 0.000 0.444 367 I N 6.573 127.139 120.570 -0.007 0.000 2.441 367 I HA 0.470 4.640 4.170 -0.000 0.000 0.295 367 I C -0.220 175.894 176.117 -0.005 0.000 0.994 367 I CA -0.478 60.818 61.300 -0.007 0.000 1.144 367 I CB 1.534 39.528 38.000 -0.009 0.000 1.314 367 I HN 0.422 nan 8.210 nan 0.000 0.445 368 K N 4.717 125.115 120.400 -0.003 0.000 2.507 368 K HA 0.675 4.995 4.320 -0.000 0.000 0.252 368 K C -0.320 176.279 176.600 -0.000 0.000 0.943 368 K CA -0.270 56.016 56.287 -0.001 0.000 0.808 368 K CB 1.696 34.196 32.500 0.000 0.000 1.142 368 K HN 0.903 nan 8.250 nan 0.000 0.426 369 G N 2.987 111.787 108.800 0.000 0.000 2.819 369 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.682 369 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.682 369 G C -0.989 173.912 174.900 0.001 0.000 1.481 369 G CA -0.546 44.555 45.100 0.002 0.000 0.904 369 G HN 0.668 nan 8.290 nan 0.000 0.563 370 K N 0.482 120.884 120.400 0.003 0.000 2.339 370 K HA 0.488 4.808 4.320 -0.000 0.000 0.286 370 K C 0.201 176.804 176.600 0.005 0.000 1.050 370 K CA 0.065 56.354 56.287 0.003 0.000 0.956 370 K CB 0.130 32.633 32.500 0.005 0.000 0.990 370 K HN 0.560 nan 8.250 nan 0.000 0.475 371 S N 2.099 117.800 115.700 0.001 0.000 2.501 371 S HA 0.488 4.957 4.470 -0.000 0.000 0.301 371 S C -0.785 173.816 174.600 0.002 0.000 1.096 371 S CA -0.986 57.215 58.200 0.001 0.000 1.063 371 S CB 1.912 65.105 63.200 -0.011 0.000 1.042 371 S HN 0.678 nan 8.310 nan 0.000 0.494 372 A N 3.498 126.326 122.820 0.015 0.000 2.366 372 A HA 0.541 4.861 4.320 -0.000 0.000 0.322 372 A C -0.102 177.493 177.584 0.017 0.000 1.397 372 A CA -0.604 51.447 52.037 0.024 0.000 0.984 372 A CB -0.475 18.551 19.000 0.043 0.000 1.149 372 A HN 0.819 nan 8.150 nan 0.000 0.540 373 L N 3.550 124.762 121.223 -0.020 0.000 2.380 373 L HA 0.429 4.768 4.340 -0.000 0.000 0.273 373 L C 0.636 177.483 176.870 -0.037 0.000 1.138 373 L CA -0.413 54.370 54.840 -0.094 0.000 0.832 373 L CB 0.341 42.353 42.059 -0.078 0.000 1.124 373 L HN 0.952 nan 8.230 nan 0.000 0.454 374 H N 0.322 119.399 119.070 0.011 0.000 2.824 374 H HA 0.717 5.273 4.556 -0.000 0.000 0.345 374 H C 0.041 175.376 175.328 0.012 0.000 1.252 374 H CA -1.022 55.032 56.048 0.010 0.000 1.246 374 H CB 0.630 30.398 29.762 0.009 0.000 1.908 374 H HN 0.542 nan 8.280 nan 0.000 0.601 375 G N -0.607 108.331 108.800 0.231 0.000 2.398 375 G HA2 0.492 4.452 3.960 -0.000 0.000 0.246 375 G HA3 0.492 4.452 3.960 -0.000 0.000 0.246 375 G C -0.666 174.334 174.900 0.166 0.000 1.289 375 G CA 0.242 45.425 45.100 0.139 0.000 0.869 375 G HN 0.897 nan 8.290 nan 0.000 0.543 376 A N 2.370 125.242 122.820 0.085 0.000 2.602 376 A HA 0.818 5.138 4.320 -0.000 0.000 0.290 376 A C -0.451 177.158 177.584 0.041 0.000 1.114 376 A CA -0.887 51.193 52.037 0.072 0.000 0.683 376 A CB 1.356 20.390 19.000 0.056 0.000 1.281 376 A HN 0.731 nan 8.150 nan 0.000 0.416 377 R N 0.272 120.793 120.500 0.036 0.000 2.255 377 R HA 0.621 4.961 4.340 -0.000 0.000 0.326 377 R C -1.605 174.705 176.300 0.016 0.000 0.986 377 R CA -0.114 55.997 56.100 0.019 0.000 0.847 377 R CB 1.156 31.466 30.300 0.016 0.000 1.111 377 R HN 0.510 nan 8.270 nan 0.000 0.452 378 V N 4.700 124.615 119.914 0.001 0.000 2.588 378 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 378 V C -0.481 175.581 176.094 -0.052 0.000 1.042 378 V CA -1.008 61.291 62.300 -0.001 0.000 0.877 378 V CB 1.804 33.632 31.823 0.009 0.000 0.996 378 V HN 0.750 nan 8.190 nan 0.000 0.425 379 N N 2.017 120.660 118.700 -0.096 0.000 2.399 379 N HA 0.215 4.955 4.740 -0.000 0.000 0.295 379 N C 1.073 176.450 175.510 -0.223 0.000 1.048 379 N CA 0.266 53.136 53.050 -0.301 0.000 0.886 379 N CB 2.486 40.546 38.487 -0.711 0.000 1.185 379 N HN 0.820 nan 8.380 nan 0.000 0.487 380 T N 0.772 115.207 114.554 -0.197 0.000 2.942 380 T HA 0.022 4.372 4.350 -0.000 0.000 0.265 380 T C 0.714 175.469 174.700 0.093 0.000 1.062 380 T CA 0.485 62.563 62.100 -0.036 0.000 1.139 380 T CB -0.417 68.430 68.868 -0.035 0.000 0.883 380 T HN 0.564 nan 8.240 nan 0.000 0.468 381 F N 1.799 121.753 119.950 0.006 0.000 3.071 381 F HA -0.050 4.477 4.527 -0.000 0.000 0.295 381 F C 1.414 177.223 175.800 0.015 0.000 0.919 381 F CA 0.854 58.860 58.000 0.009 0.000 1.050 381 F CB -2.053 36.950 39.000 0.006 0.000 1.040 381 F HN 0.656 nan 8.300 nan 0.000 0.692 382 G N -0.514 108.356 108.800 0.116 0.000 2.143 382 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.249 382 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.249 382 G C -0.216 174.749 174.900 0.108 0.000 0.981 382 G CA 0.061 45.220 45.100 0.099 0.000 0.665 382 G HN 0.593 nan 8.290 nan 0.000 0.528 383 D N -0.085 120.372 120.400 0.095 0.000 2.217 383 D HA 0.370 5.010 4.640 -0.000 0.000 0.243 383 D C 1.688 178.004 176.300 0.027 0.000 1.054 383 D CA -0.322 53.720 54.000 0.069 0.000 0.838 383 D CB 0.542 41.357 40.800 0.025 0.000 1.162 383 D HN 0.379 nan 8.370 nan 0.000 0.472 384 H N 3.774 122.828 119.070 -0.026 0.000 2.470 384 H HA 0.095 4.651 4.556 -0.000 0.000 0.289 384 H C 1.068 176.301 175.328 -0.158 0.000 1.033 384 H CA 0.383 56.374 56.048 -0.095 0.000 1.331 384 H CB 0.316 30.032 29.762 -0.076 0.000 1.414 384 H HN 0.308 nan 8.280 nan 0.000 0.545 385 R N 0.374 120.521 120.500 -0.589 0.000 2.115 385 R HA 0.027 4.367 4.340 -0.000 0.000 0.226 385 R C 2.257 178.483 176.300 -0.124 0.000 1.100 385 R CA 0.693 56.626 56.100 -0.279 0.000 0.980 385 R CB 0.208 30.364 30.300 -0.240 0.000 0.875 385 R HN 0.283 nan 8.270 nan 0.000 0.445 386 I N 0.199 120.694 120.570 -0.124 0.000 2.286 386 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 386 I C 2.444 178.505 176.117 -0.092 0.000 1.104 386 I CA 1.382 62.646 61.300 -0.060 0.000 1.397 386 I CB -1.613 36.379 38.000 -0.012 0.000 1.072 386 I HN 0.192 nan 8.210 nan 0.000 0.417 387 G N 0.518 109.234 108.800 -0.140 0.000 2.422 387 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 387 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 387 G C 1.758 176.486 174.900 -0.286 0.000 1.146 387 G CA 0.353 45.364 45.100 -0.148 0.000 0.769 387 G HN 0.243 nan 8.290 nan 0.000 0.547 388 M N -0.246 119.001 119.600 -0.588 0.000 2.288 388 M HA 0.182 4.662 4.480 -0.000 0.000 0.266 388 M C 2.511 178.535 176.300 -0.460 0.000 1.072 388 M CA 0.784 55.460 55.300 -1.040 0.000 1.132 388 M CB -0.147 31.169 32.600 -2.140 0.000 1.386 388 M HN 0.292 nan 8.290 nan 0.000 0.432 389 M N -0.144 119.360 119.600 -0.161 0.000 2.156 389 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 389 M C 1.595 177.903 176.300 0.013 0.000 1.067 389 M CA 1.628 56.962 55.300 0.057 0.000 1.131 389 M CB -0.190 32.465 32.600 0.091 0.000 1.368 389 M HN 0.139 nan 8.290 nan 0.000 0.416 390 T N 0.935 115.479 114.554 -0.017 0.000 2.904 390 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 390 T C 1.802 176.521 174.700 0.031 0.000 1.059 390 T CA 1.205 63.309 62.100 0.007 0.000 1.137 390 T CB -0.380 68.492 68.868 0.006 0.000 0.879 390 T HN 0.555 nan 8.240 nan 0.000 0.467 391 A N 1.960 124.802 122.820 0.035 0.000 1.930 391 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 391 A C 2.263 179.894 177.584 0.077 0.000 1.175 391 A CA 1.340 53.437 52.037 0.100 0.000 0.627 391 A CB -0.678 18.416 19.000 0.157 0.000 0.815 391 A HN 0.713 nan 8.150 nan 0.000 0.443 392 I N -3.801 116.806 120.570 0.062 0.000 3.059 392 I HA 0.270 4.440 4.170 -0.000 0.000 0.270 392 I C 2.043 178.188 176.117 0.046 0.000 1.238 392 I CA 1.013 62.347 61.300 0.057 0.000 1.478 392 I CB -0.032 38.009 38.000 0.069 0.000 1.097 392 I HN 0.106 nan 8.210 nan 0.000 0.455 393 A N 1.348 124.190 122.820 0.037 0.000 2.072 393 A HA 0.372 4.692 4.320 -0.000 0.000 0.216 393 A C 2.476 180.070 177.584 0.018 0.000 1.156 393 A CA 0.994 53.044 52.037 0.021 0.000 0.701 393 A CB -0.584 18.422 19.000 0.010 0.000 0.816 393 A HN 0.523 nan 8.150 nan 0.000 0.458 394 A N 0.202 123.040 122.820 0.030 0.000 2.014 394 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 394 A C 1.938 179.538 177.584 0.026 0.000 1.163 394 A CA 1.145 53.201 52.037 0.031 0.000 0.652 394 A CB -0.591 18.439 19.000 0.050 0.000 0.808 394 A HN 0.506 nan 8.150 nan 0.000 0.449 395 L N -1.356 119.882 121.223 0.026 0.000 2.265 395 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 395 L C 2.037 178.912 176.870 0.007 0.000 1.117 395 L CA 0.349 55.197 54.840 0.014 0.000 0.782 395 L CB -0.550 41.519 42.059 0.017 0.000 0.914 395 L HN 0.213 nan 8.230 nan 0.000 0.441 396 L N -0.720 120.510 121.223 0.011 0.000 2.375 396 L HA 0.097 4.437 4.340 -0.000 0.000 0.215 396 L C 0.905 177.782 176.870 0.012 0.000 1.108 396 L CA 0.604 55.450 54.840 0.009 0.000 0.830 396 L CB -0.044 42.020 42.059 0.008 0.000 0.959 396 L HN -0.086 nan 8.230 nan 0.000 0.457 397 V N 0.430 120.353 119.914 0.015 0.000 2.485 397 V HA 0.131 4.251 4.120 -0.000 0.000 0.287 397 V C 1.224 177.333 176.094 0.026 0.000 1.022 397 V CA 0.653 62.969 62.300 0.027 0.000 1.067 397 V CB 0.656 32.497 31.823 0.031 0.000 0.967 397 V HN 0.326 nan 8.190 nan 0.000 0.479 398 A N 3.245 126.085 122.820 0.033 0.000 2.108 398 A HA 0.122 4.441 4.320 -0.000 0.000 0.206 398 A C 1.589 179.189 177.584 0.027 0.000 1.212 398 A CA 0.778 52.830 52.037 0.024 0.000 0.843 398 A CB 0.013 19.026 19.000 0.021 0.000 0.902 398 A HN 0.790 nan 8.150 nan 0.000 0.477 399 D N -0.489 119.936 120.400 0.041 0.000 2.628 399 D HA 0.250 4.890 4.640 -0.000 0.000 0.258 399 D C 1.453 177.774 176.300 0.035 0.000 1.165 399 D CA 1.240 55.261 54.000 0.034 0.000 0.991 399 D CB -0.405 40.415 40.800 0.033 0.000 1.104 399 D HN 0.265 nan 8.370 nan 0.000 0.438 400 G N -0.586 108.248 108.800 0.057 0.000 2.553 400 G HA2 0.340 4.300 3.960 -0.000 0.000 0.278 400 G HA3 0.340 4.300 3.960 -0.000 0.000 0.278 400 G C -0.398 174.529 174.900 0.047 0.000 1.349 400 G CA -0.309 44.823 45.100 0.054 0.000 1.037 400 G HN 0.180 nan 8.290 nan 0.000 0.508 401 E N -0.817 119.409 120.200 0.043 0.000 2.234 401 E HA 0.353 4.703 4.350 -0.000 0.000 0.266 401 E C -0.995 175.626 176.600 0.036 0.000 0.877 401 E CA -0.523 55.897 56.400 0.033 0.000 0.758 401 E CB 2.373 32.086 29.700 0.022 0.000 1.170 401 E HN 0.129 nan 8.360 nan 0.000 0.415 402 V N 2.844 122.778 119.914 0.034 0.000 2.385 402 V HA 0.213 4.333 4.120 -0.000 0.000 0.269 402 V C 0.289 176.399 176.094 0.026 0.000 1.043 402 V CA -0.341 61.978 62.300 0.032 0.000 0.906 402 V CB 0.940 32.783 31.823 0.033 0.000 0.995 402 V HN 0.555 nan 8.190 nan 0.000 0.467 403 E N 3.450 123.661 120.200 0.019 0.000 2.151 403 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 403 E C -1.350 175.251 176.600 0.002 0.000 0.936 403 E CA -0.811 55.593 56.400 0.007 0.000 0.777 403 E CB 1.914 31.614 29.700 -0.000 0.000 1.108 403 E HN 0.542 nan 8.360 nan 0.000 0.401 404 L N 4.958 126.182 121.223 0.001 0.000 2.298 404 L HA 0.338 4.677 4.340 -0.000 0.000 0.284 404 L C -1.006 175.846 176.870 -0.030 0.000 1.013 404 L CA -0.303 54.534 54.840 -0.005 0.000 0.824 404 L CB 1.159 43.240 42.059 0.037 0.000 1.221 404 L HN 0.458 nan 8.230 nan 0.000 0.418 405 D N 5.046 125.407 120.400 -0.064 0.000 2.193 405 D HA 0.330 4.970 4.640 -0.000 0.000 0.249 405 D C -0.019 176.218 176.300 -0.105 0.000 1.034 405 D CA -0.408 53.539 54.000 -0.089 0.000 0.902 405 D CB 1.377 42.105 40.800 -0.120 0.000 1.182 405 D HN 0.437 nan 8.370 nan 0.000 0.436 406 R N 0.427 120.876 120.500 -0.084 0.000 3.267 406 R HA -0.212 4.127 4.340 -0.000 0.000 0.254 406 R C 0.353 176.636 176.300 -0.028 0.000 0.993 406 R CA 0.414 56.475 56.100 -0.066 0.000 0.670 406 R CB -1.518 28.718 30.300 -0.106 0.000 1.125 406 R HN 0.540 nan 8.270 nan 0.000 0.434 407 A N -0.043 122.775 122.820 -0.004 0.000 2.238 407 A HA -0.003 4.317 4.320 -0.000 0.000 0.208 407 A C 1.478 179.108 177.584 0.076 0.000 1.177 407 A CA 0.631 52.698 52.037 0.050 0.000 0.804 407 A CB 0.089 19.124 19.000 0.058 0.000 0.823 407 A HN 0.468 nan 8.150 nan 0.000 0.482 408 E N -0.083 120.141 120.200 0.040 0.000 2.358 408 E HA 0.095 4.445 4.350 -0.000 0.000 0.195 408 E C 1.929 178.561 176.600 0.053 0.000 1.010 408 E CA 0.805 57.233 56.400 0.048 0.000 0.856 408 E CB -0.199 29.516 29.700 0.025 0.000 0.795 408 E HN 0.583 nan 8.360 nan 0.000 0.504 409 A N 0.350 123.197 122.820 0.045 0.000 2.119 409 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 409 A C 1.963 179.581 177.584 0.056 0.000 1.153 409 A CA 0.577 52.644 52.037 0.049 0.000 0.692 409 A CB -0.454 18.577 19.000 0.052 0.000 0.799 409 A HN 0.203 nan 8.150 nan 0.000 0.458 410 I N 0.342 120.938 120.570 0.043 0.000 2.454 410 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 410 I C 1.459 177.593 176.117 0.030 0.000 1.156 410 I CA 0.847 62.138 61.300 -0.015 0.000 1.433 410 I CB -0.299 37.657 38.000 -0.073 0.000 1.082 410 I HN 0.336 nan 8.210 nan 0.000 0.432 411 N N 0.281 119.025 118.700 0.072 0.000 2.575 411 N HA -0.052 4.688 4.740 -0.000 0.000 0.192 411 N C 1.345 176.874 175.510 0.032 0.000 1.200 411 N CA 0.715 53.815 53.050 0.083 0.000 0.897 411 N CB 0.076 38.618 38.487 0.091 0.000 0.990 411 N HN 0.412 nan 8.380 nan 0.000 0.449 412 T N -0.465 114.077 114.554 -0.019 0.000 2.812 412 T HA -0.078 4.272 4.350 -0.000 0.000 0.264 412 T C 2.173 176.795 174.700 -0.131 0.000 1.042 412 T CA 1.486 63.529 62.100 -0.095 0.000 1.140 412 T CB 0.084 68.842 68.868 -0.183 0.000 0.870 412 T HN 0.392 nan 8.240 nan 0.000 0.445 413 S N -1.426 114.198 115.700 -0.127 0.000 2.619 413 S HA 0.250 4.719 4.470 -0.000 0.000 0.238 413 S C 0.157 174.758 174.600 0.001 0.000 1.068 413 S CA -0.667 57.477 58.200 -0.093 0.000 0.926 413 S CB -0.028 63.093 63.200 -0.133 0.000 0.864 413 S HN 0.503 nan 8.310 nan 0.000 0.493 414 Y N 2.763 123.051 120.300 -0.021 0.000 2.646 414 Y HA 0.432 4.982 4.550 -0.000 0.000 0.334 414 Y C -2.525 173.429 175.900 0.090 0.000 1.004 414 Y CA -2.337 55.794 58.100 0.051 0.000 1.301 414 Y CB 1.946 40.420 38.460 0.024 0.000 1.093 414 Y HN 0.143 nan 8.280 nan 0.000 0.530 415 P HA -0.107 nan 4.420 nan 0.000 0.220 415 P C 0.807 178.292 177.300 0.309 0.000 1.152 415 P CA 1.121 64.376 63.100 0.257 0.000 0.812 415 P CB 0.349 32.149 31.700 0.167 0.000 0.792 416 S N -2.130 113.819 115.700 0.415 0.000 2.552 416 S HA 0.174 4.644 4.470 -0.000 0.000 0.246 416 S C 1.120 175.868 174.600 0.248 0.000 1.019 416 S CA -0.696 57.700 58.200 0.326 0.000 1.045 416 S CB -1.503 61.869 63.200 0.287 0.000 0.784 416 S HN -0.085 nan 8.310 nan 0.000 0.453 417 F N 1.885 121.789 119.950 -0.077 0.000 2.113 417 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 417 F C 1.281 176.929 175.800 -0.254 0.000 1.103 417 F CA 1.014 58.682 58.000 -0.554 0.000 1.248 417 F CB -0.289 38.238 39.000 -0.788 0.000 0.999 417 F HN 0.340 nan 8.300 nan 0.000 0.475 418 F N 0.552 120.473 119.950 -0.048 0.000 2.325 418 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 418 F C 2.091 177.842 175.800 -0.081 0.000 1.090 418 F CA 1.160 59.100 58.000 -0.100 0.000 1.392 418 F CB -0.732 38.283 39.000 0.025 0.000 1.053 418 F HN -0.050 nan 8.300 nan 0.000 0.521 419 D N -0.105 120.370 120.400 0.125 0.000 2.183 419 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 419 D C 1.777 178.065 176.300 -0.019 0.000 0.969 419 D CA 1.081 55.123 54.000 0.069 0.000 0.842 419 D CB -0.211 40.643 40.800 0.090 0.000 0.957 419 D HN 0.107 nan 8.370 nan 0.000 0.484 420 D N -0.328 120.016 120.400 -0.092 0.000 2.149 420 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 420 D C 2.013 178.082 176.300 -0.386 0.000 0.972 420 D CA 0.249 54.096 54.000 -0.255 0.000 0.835 420 D CB -0.160 40.446 40.800 -0.322 0.000 0.966 420 D HN 0.140 nan 8.370 nan 0.000 0.476 421 L N 0.996 122.041 121.223 -0.298 0.000 2.093 421 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 421 L C 2.021 178.835 176.870 -0.094 0.000 1.085 421 L CA 1.599 56.324 54.840 -0.191 0.000 0.755 421 L CB -0.251 41.706 42.059 -0.169 0.000 0.904 421 L HN -0.179 nan 8.230 nan 0.000 0.435 422 E N -0.426 119.755 120.200 -0.032 0.000 2.110 422 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 422 E C 2.248 178.889 176.600 0.068 0.000 0.988 422 E CA 1.461 57.890 56.400 0.047 0.000 0.804 422 E CB -0.222 29.529 29.700 0.086 0.000 0.745 422 E HN 0.687 nan 8.360 nan 0.000 0.458 423 S N -0.557 115.143 115.700 -0.000 0.000 2.453 423 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 423 S C 1.966 176.560 174.600 -0.009 0.000 1.005 423 S CA 0.581 58.784 58.200 0.006 0.000 0.949 423 S CB -0.261 62.915 63.200 -0.041 0.000 0.774 423 S HN 0.273 nan 8.310 nan 0.000 0.510 424 L N 0.288 121.467 121.223 -0.074 0.000 2.162 424 L HA 0.169 4.509 4.340 -0.000 0.000 0.205 424 L C 2.380 179.258 176.870 0.014 0.000 1.086 424 L CA 0.785 55.586 54.840 -0.064 0.000 0.778 424 L CB -0.468 41.495 42.059 -0.160 0.000 0.928 424 L HN 0.287 nan 8.230 nan 0.000 0.446 425 I N -0.840 119.709 120.570 -0.035 0.000 2.252 425 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 425 I C 2.207 178.268 176.117 -0.092 0.000 1.102 425 I CA 1.102 62.334 61.300 -0.114 0.000 1.385 425 I CB -0.297 37.554 38.000 -0.248 0.000 1.064 425 I HN 0.282 nan 8.210 nan 0.000 0.414 426 H N 0.471 119.591 119.070 0.084 0.000 2.539 426 H HA 0.225 4.781 4.556 -0.000 0.000 0.267 426 H C 1.191 176.576 175.328 0.094 0.000 0.982 426 H CA 0.349 56.458 56.048 0.101 0.000 1.146 426 H CB -0.259 29.531 29.762 0.046 0.000 1.382 426 H HN 0.261 nan 8.280 nan 0.000 0.577 427 G N 0.000 108.906 108.800 0.177 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.164 45.100 0.106 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925