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 1iq0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRRALEEAI AQALKEMGVP VRLKVARAPK DKPGDYGVPL FALAKELRKP DATA SEQUENCE PQAIAQELKD RLPLPEFVEE AVPVGGYLNF RLRTEALLRE ALRPKAPFPR DATA SEQUENCE RPGVVLVEHT SVNPNKELHV GHLRNIALGD AIARILAYAG REVLVLNYID DATA SEQUENCE DTGRQAAETL FALRHYGLTW DGKEKYDHFA GRAYVRLHQD PEYERLQPAI DATA SEQUENCE EEVLHALERG ELREEVNRIL LAQMATMHAL NARYDLLVWE SDIVRAGLLQ DATA SEQUENCE KALALLEQSP HVFRPREGKY AGALVMDASP VIPGLEDPFF VLLRSNGTAT DATA SEQUENCE YYAKDIAFQF WKMGILEGLR FRPYENPYYP GLRTSAPEGE AYTPKAEETI DATA SEQUENCE NVVDVRQSHP QALVRAALAL AGYPALAEKA HHLAYETVLL EGRQMSGXXX DATA SEQUENCE XAVSVDEVLE EATRRARAIV EEKNPDHPDK EEAARMVALG AIRFSMVKTE DATA SEQUENCE PKKQIDFRYQ EALSFEGDTG PYVQYAHARA HSILRKAGEW GAPDLSQATP DATA SEQUENCE YERALALDLL DFEEAVLEAA EERTPHVLAQ YLLDLAASWN AYYNARENGQ DATA SEQUENCE PATPVLTAPE GLRELRLSLV QSLQRTLATG LDLLGIPAPE VM 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 0.000 176.208 176.300 -0.154 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.048 0.000 0.988 1 M CB 0.000 32.605 32.600 0.007 0.000 1.302 2 L N 0.463 121.549 121.223 -0.229 0.000 2.775 2 L HA 0.393 4.733 4.340 -0.001 0.000 0.175 2 L C 1.819 178.453 176.870 -0.394 0.000 1.110 2 L CA 1.120 55.668 54.840 -0.486 0.000 0.862 2 L CB -0.735 41.028 42.059 -0.493 0.000 1.381 2 L HN 0.792 nan 8.230 nan 0.000 0.499 3 R N -0.222 120.063 120.500 -0.358 0.000 2.081 3 R HA -0.085 4.255 4.340 -0.001 0.000 0.235 3 R C 2.097 178.258 176.300 -0.232 0.000 1.131 3 R CA 1.194 57.048 56.100 -0.411 0.000 0.960 3 R CB -0.049 29.997 30.300 -0.423 0.000 0.856 3 R HN 0.271 nan 8.270 nan 0.000 0.436 4 R N 0.304 120.714 120.500 -0.150 0.000 2.092 4 R HA 0.019 4.358 4.340 -0.001 0.000 0.231 4 R C 2.136 178.403 176.300 -0.054 0.000 1.119 4 R CA 1.301 57.347 56.100 -0.091 0.000 0.970 4 R CB -0.621 29.643 30.300 -0.060 0.000 0.864 4 R HN 0.229 nan 8.270 nan 0.000 0.440 5 A N 1.041 123.846 122.820 -0.026 0.000 1.972 5 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 5 A C 2.117 179.747 177.584 0.077 0.000 1.169 5 A CA 1.019 53.092 52.037 0.059 0.000 0.635 5 A CB -0.391 18.698 19.000 0.149 0.000 0.810 5 A HN 0.202 nan 8.150 nan 0.000 0.446 6 L N 0.159 121.412 121.223 0.050 0.000 2.109 6 L HA -0.067 4.273 4.340 -0.001 0.000 0.207 6 L C 2.097 178.885 176.870 -0.135 0.000 1.086 6 L CA 2.178 56.984 54.840 -0.057 0.000 0.760 6 L CB -0.687 41.273 42.059 -0.165 0.000 0.910 6 L HN 0.515 nan 8.230 nan 0.000 0.437 7 E N -0.782 119.353 120.200 -0.110 0.000 2.106 7 E HA -0.252 4.098 4.350 -0.001 0.000 0.192 7 E C 1.919 178.489 176.600 -0.051 0.000 0.984 7 E CA 1.010 57.362 56.400 -0.080 0.000 0.806 7 E CB -0.023 29.635 29.700 -0.070 0.000 0.750 7 E HN 0.462 nan 8.360 nan 0.000 0.458 8 E N 1.502 121.677 120.200 -0.041 0.000 2.051 8 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 8 E C 1.897 178.481 176.600 -0.026 0.000 0.991 8 E CA 1.513 57.897 56.400 -0.026 0.000 0.799 8 E CB -0.270 29.421 29.700 -0.014 0.000 0.748 8 E HN 0.201 nan 8.360 nan 0.000 0.449 9 A N 0.373 123.173 122.820 -0.034 0.000 1.972 9 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 9 A C 2.366 179.933 177.584 -0.029 0.000 1.169 9 A CA 1.415 53.428 52.037 -0.039 0.000 0.635 9 A CB -0.620 18.339 19.000 -0.069 0.000 0.810 9 A HN 0.370 nan 8.150 nan 0.000 0.446 10 I N -0.598 119.952 120.570 -0.033 0.000 2.286 10 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 10 I C 2.979 179.099 176.117 0.004 0.000 1.104 10 I CA 0.840 62.141 61.300 0.002 0.000 1.397 10 I CB -0.378 37.627 38.000 0.009 0.000 1.072 10 I HN 0.352 nan 8.210 nan 0.000 0.417 11 A N 0.294 123.109 122.820 -0.008 0.000 1.851 11 A HA -0.311 4.009 4.320 -0.001 0.000 0.216 11 A C 2.234 179.814 177.584 -0.006 0.000 1.195 11 A CA 1.930 53.962 52.037 -0.007 0.000 0.622 11 A CB -0.777 18.215 19.000 -0.014 0.000 0.831 11 A HN 0.346 nan 8.150 nan 0.000 0.444 12 Q N -0.450 119.344 119.800 -0.009 0.000 2.152 12 Q HA -0.128 4.212 4.340 -0.001 0.000 0.206 12 Q C 2.060 178.057 176.000 -0.004 0.000 0.985 12 Q CA 2.103 57.901 55.803 -0.008 0.000 0.863 12 Q CB -0.608 28.124 28.738 -0.010 0.000 0.904 12 Q HN 0.640 nan 8.270 nan 0.000 0.422 13 A N -0.767 122.053 122.820 -0.000 0.000 1.968 13 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 13 A C 1.956 179.543 177.584 0.005 0.000 1.169 13 A CA 0.835 52.875 52.037 0.006 0.000 0.638 13 A CB -0.418 18.592 19.000 0.017 0.000 0.812 13 A HN 0.407 nan 8.150 nan 0.000 0.446 14 L N -1.050 120.175 121.223 0.004 0.000 2.217 14 L HA -0.106 4.234 4.340 -0.001 0.000 0.211 14 L C 2.402 179.271 176.870 -0.002 0.000 1.107 14 L CA 1.181 56.022 54.840 0.001 0.000 0.783 14 L CB -0.245 41.814 42.059 0.001 0.000 0.919 14 L HN 0.302 nan 8.230 nan 0.000 0.442 15 K N 0.108 120.506 120.400 -0.003 0.000 2.103 15 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 15 K C 1.675 178.273 176.600 -0.004 0.000 1.052 15 K CA 0.920 57.204 56.287 -0.005 0.000 0.945 15 K CB 0.044 32.541 32.500 -0.006 0.000 0.722 15 K HN 0.259 nan 8.250 nan 0.000 0.443 16 E N -0.014 120.185 120.200 -0.003 0.000 2.516 16 E HA -0.049 4.301 4.350 -0.001 0.000 0.199 16 E C 1.230 177.828 176.600 -0.003 0.000 1.069 16 E CA 0.556 56.954 56.400 -0.003 0.000 0.876 16 E CB 0.153 29.851 29.700 -0.003 0.000 0.843 16 E HN 0.345 nan 8.360 nan 0.000 0.530 17 M N -1.976 117.622 119.600 -0.003 0.000 2.393 17 M HA 0.213 4.693 4.480 -0.001 0.000 0.270 17 M C 1.320 177.617 176.300 -0.005 0.000 1.127 17 M CA 0.512 55.810 55.300 -0.004 0.000 1.104 17 M CB 1.542 34.140 32.600 -0.004 0.000 1.523 17 M HN 0.235 nan 8.290 nan 0.000 0.546 18 G N 0.573 109.370 108.800 -0.005 0.000 3.145 18 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.195 18 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.195 18 G C -0.057 174.840 174.900 -0.006 0.000 2.278 18 G CA -0.257 44.840 45.100 -0.005 0.000 1.441 18 G HN 0.314 nan 8.290 nan 0.000 0.452 19 V N 1.049 120.960 119.914 -0.006 0.000 2.452 19 V HA 0.493 4.613 4.120 -0.001 0.000 0.286 19 V C -2.030 174.060 176.094 -0.006 0.000 0.995 19 V CA -0.492 61.804 62.300 -0.006 0.000 1.116 19 V CB 0.701 32.519 31.823 -0.008 0.000 0.954 19 V HN 0.275 nan 8.190 nan 0.000 0.473 20 P HA 0.332 nan 4.420 nan 0.000 0.220 20 P C -0.288 177.008 177.300 -0.007 0.000 1.793 20 P CA 0.207 63.303 63.100 -0.006 0.000 0.917 20 P CB 0.564 32.260 31.700 -0.007 0.000 1.755 21 V N 0.269 120.179 119.914 -0.006 0.000 2.769 21 V HA 0.513 4.632 4.120 -0.001 0.000 0.312 21 V C -0.232 175.858 176.094 -0.006 0.000 1.058 21 V CA -1.325 60.971 62.300 -0.006 0.000 0.952 21 V CB 2.188 34.008 31.823 -0.005 0.000 1.019 21 V HN 0.017 nan 8.190 nan 0.000 0.445 22 R N 5.325 125.821 120.500 -0.007 0.000 2.338 22 R HA 0.621 4.960 4.340 -0.001 0.000 0.317 22 R C -1.525 174.773 176.300 -0.003 0.000 0.968 22 R CA -0.601 55.494 56.100 -0.008 0.000 0.849 22 R CB 1.138 31.430 30.300 -0.014 0.000 1.128 22 R HN 0.790 nan 8.270 nan 0.000 0.448 23 L N 3.978 125.202 121.223 0.001 0.000 2.331 23 L HA 0.487 4.826 4.340 -0.001 0.000 0.275 23 L C -0.152 176.727 176.870 0.015 0.000 1.022 23 L CA -1.193 53.654 54.840 0.012 0.000 0.812 23 L CB 1.733 43.803 42.059 0.019 0.000 1.257 23 L HN 0.476 nan 8.230 nan 0.000 0.435 24 K N 2.036 122.453 120.400 0.028 0.000 2.156 24 K HA 0.409 4.729 4.320 -0.001 0.000 0.271 24 K C -0.594 176.046 176.600 0.066 0.000 0.995 24 K CA -0.504 55.801 56.287 0.029 0.000 0.890 24 K CB 2.425 34.943 32.500 0.031 0.000 1.073 24 K HN 0.258 nan 8.250 nan 0.000 0.454 25 V N 1.331 121.271 119.914 0.043 0.000 2.743 25 V HA 0.736 4.855 4.120 -0.001 0.000 0.301 25 V C -0.560 175.612 176.094 0.130 0.000 1.057 25 V CA -0.276 62.080 62.300 0.092 0.000 1.006 25 V CB 1.488 33.300 31.823 -0.019 0.000 1.024 25 V HN 0.924 nan 8.190 nan 0.000 0.473 26 A N 5.769 128.734 122.820 0.242 0.000 2.594 26 A HA 0.766 5.085 4.320 -0.001 0.000 0.291 26 A C -0.714 177.083 177.584 0.355 0.000 1.105 26 A CA -0.982 51.212 52.037 0.262 0.000 0.694 26 A CB 1.398 20.521 19.000 0.206 0.000 1.291 26 A HN 0.691 nan 8.150 nan 0.000 0.410 27 R N 0.590 121.262 120.500 0.287 0.000 2.538 27 R HA 0.312 4.652 4.340 -0.001 0.000 0.282 27 R C 0.660 177.000 176.300 0.066 0.000 1.009 27 R CA 0.629 56.808 56.100 0.132 0.000 1.063 27 R CB 0.045 30.393 30.300 0.080 0.000 0.945 27 R HN 0.890 nan 8.270 nan 0.000 0.414 28 A N 6.183 129.001 122.820 -0.004 0.000 2.366 28 A HA 0.386 4.705 4.320 -0.001 0.000 0.249 28 A C -1.766 175.786 177.584 -0.053 0.000 1.084 28 A CA -1.135 50.885 52.037 -0.028 0.000 0.794 28 A CB -0.293 18.691 19.000 -0.026 0.000 1.034 28 A HN 0.447 nan 8.150 nan 0.000 0.491 29 P HA -0.040 nan 4.420 nan 0.000 0.268 29 P C -0.632 176.642 177.300 -0.043 0.000 1.189 29 P CA 0.384 63.445 63.100 -0.064 0.000 0.771 29 P CB 0.254 31.902 31.700 -0.086 0.000 0.822 30 K N 2.865 123.248 120.400 -0.028 0.000 2.361 30 K HA -0.038 4.282 4.320 -0.001 0.000 0.283 30 K C -0.179 176.405 176.600 -0.026 0.000 1.078 30 K CA 0.407 56.681 56.287 -0.022 0.000 1.041 30 K CB -0.565 31.929 32.500 -0.010 0.000 0.932 30 K HN 0.503 nan 8.250 nan 0.000 0.462 31 D N 1.853 122.234 120.400 -0.031 0.000 2.746 31 D HA -0.147 4.492 4.640 -0.001 0.000 0.241 31 D C -0.334 175.948 176.300 -0.029 0.000 1.140 31 D CA 1.238 55.220 54.000 -0.030 0.000 0.707 31 D CB -0.384 40.400 40.800 -0.027 0.000 1.034 31 D HN 0.381 nan 8.370 nan 0.000 0.423 32 K N -0.628 119.752 120.400 -0.034 0.000 2.208 32 K HA 0.572 4.891 4.320 -0.001 0.000 0.241 32 K C -2.430 174.153 176.600 -0.029 0.000 1.087 32 K CA -1.532 54.735 56.287 -0.033 0.000 0.883 32 K CB 0.325 32.798 32.500 -0.046 0.000 1.360 32 K HN -0.241 nan 8.250 nan 0.000 0.496 33 P HA 0.178 nan 4.420 nan 0.000 0.254 33 P C -0.682 176.608 177.300 -0.015 0.000 1.467 33 P CA 0.668 63.755 63.100 -0.022 0.000 1.281 33 P CB -0.276 31.409 31.700 -0.025 0.000 1.754 34 G N 2.322 111.119 108.800 -0.005 0.000 2.462 34 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.685 34 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.685 34 G C -0.189 174.703 174.900 -0.013 0.000 1.295 34 G CA -0.533 44.579 45.100 0.020 0.000 0.941 34 G HN 0.239 nan 8.290 nan 0.000 0.554 35 D N -0.997 119.394 120.400 -0.016 0.000 2.394 35 D HA 0.185 4.825 4.640 -0.001 0.000 0.226 35 D C 0.281 176.352 176.300 -0.382 0.000 0.990 35 D CA 1.275 55.140 54.000 -0.226 0.000 0.902 35 D CB 0.583 41.213 40.800 -0.283 0.000 1.038 35 D HN 0.375 nan 8.370 nan 0.000 0.499 36 Y N -0.250 120.161 120.300 0.185 0.000 2.536 36 Y HA 0.578 5.128 4.550 -0.001 0.000 0.347 36 Y C 0.590 176.685 175.900 0.325 0.000 1.000 36 Y CA -0.973 57.257 58.100 0.216 0.000 1.051 36 Y CB 2.796 41.371 38.460 0.192 0.000 1.259 36 Y HN -0.196 nan 8.280 nan 0.000 0.468 37 G N 0.391 109.471 108.800 0.467 0.000 2.690 37 G HA2 0.544 4.504 3.960 -0.001 0.000 0.293 37 G HA3 0.544 4.504 3.960 -0.001 0.000 0.293 37 G C -2.308 172.856 174.900 0.439 0.000 1.399 37 G CA -0.767 44.588 45.100 0.426 0.000 0.890 37 G HN 0.544 nan 8.290 nan 0.000 0.485 38 V N 2.014 122.187 119.914 0.431 0.000 2.588 38 V HA 0.811 4.930 4.120 -0.001 0.000 0.304 38 V C -2.338 173.852 176.094 0.161 0.000 1.042 38 V CA -2.345 60.134 62.300 0.299 0.000 0.877 38 V CB 2.802 34.777 31.823 0.253 0.000 0.996 38 V HN 0.637 nan 8.190 nan 0.000 0.425 39 P HA 0.330 nan 4.420 nan 0.000 0.284 39 P C -0.834 176.201 177.300 -0.442 0.000 1.253 39 P CA -0.313 62.484 63.100 -0.505 0.000 0.800 39 P CB 1.649 33.207 31.700 -0.236 0.000 0.961 40 L N 2.951 123.694 121.223 -0.800 0.000 3.168 40 L HA 0.341 4.681 4.340 -0.001 0.000 0.277 40 L C 0.862 177.396 176.870 -0.560 0.000 1.308 40 L CA 0.245 54.777 54.840 -0.512 0.000 0.976 40 L CB -0.508 41.322 42.059 -0.381 0.000 1.383 40 L HN 0.207 nan 8.230 nan 0.000 0.572 41 F N -0.533 119.328 119.950 -0.149 0.000 2.437 41 F HA 0.206 4.733 4.527 -0.001 0.000 0.288 41 F C 2.357 178.119 175.800 -0.064 0.000 1.085 41 F CA 0.696 58.632 58.000 -0.106 0.000 1.430 41 F CB -0.501 38.424 39.000 -0.125 0.000 1.120 41 F HN 0.204 nan 8.300 nan 0.000 0.556 42 A N 0.238 123.119 122.820 0.100 0.000 1.972 42 A HA -0.080 4.240 4.320 -0.001 0.000 0.219 42 A C 2.090 179.688 177.584 0.023 0.000 1.169 42 A CA 1.404 53.476 52.037 0.057 0.000 0.635 42 A CB -0.910 18.114 19.000 0.039 0.000 0.810 42 A HN 0.408 nan 8.150 nan 0.000 0.446 43 L N -1.511 119.707 121.223 -0.008 0.000 2.477 43 L HA 0.070 4.409 4.340 -0.001 0.000 0.220 43 L C 2.859 179.719 176.870 -0.017 0.000 1.106 43 L CA 0.565 55.393 54.840 -0.019 0.000 0.851 43 L CB -0.373 41.663 42.059 -0.039 0.000 0.994 43 L HN 0.399 nan 8.230 nan 0.000 0.462 44 A N 0.608 123.419 122.820 -0.015 0.000 1.940 44 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 44 A C 2.296 179.895 177.584 0.025 0.000 1.176 44 A CA 2.007 54.045 52.037 0.002 0.000 0.631 44 A CB -0.205 18.822 19.000 0.045 0.000 0.814 44 A HN 0.198 nan 8.150 nan 0.000 0.446 45 K N -0.359 120.062 120.400 0.035 0.000 2.334 45 K HA 0.112 4.432 4.320 -0.001 0.000 0.195 45 K C 1.678 178.289 176.600 0.017 0.000 1.045 45 K CA 0.961 57.266 56.287 0.029 0.000 1.004 45 K CB -0.049 32.473 32.500 0.036 0.000 0.837 45 K HN 0.488 nan 8.250 nan 0.000 0.510 46 E N 0.038 120.246 120.200 0.014 0.000 2.478 46 E HA -0.047 4.303 4.350 -0.001 0.000 0.198 46 E C 0.549 177.151 176.600 0.003 0.000 1.046 46 E CA 0.652 57.056 56.400 0.008 0.000 0.870 46 E CB 0.264 29.967 29.700 0.006 0.000 0.818 46 E HN 0.306 nan 8.360 nan 0.000 0.527 47 L N -0.555 120.669 121.223 0.002 0.000 3.086 47 L HA 0.300 4.640 4.340 -0.001 0.000 0.274 47 L C -0.033 176.837 176.870 0.001 0.000 1.184 47 L CA -0.280 54.560 54.840 -0.001 0.000 1.002 47 L CB 0.456 42.511 42.059 -0.007 0.000 1.383 47 L HN -0.071 nan 8.230 nan 0.000 0.582 48 R N 1.283 121.786 120.500 0.005 0.000 3.205 48 R HA -0.175 4.165 4.340 -0.001 0.000 0.249 48 R C -0.714 175.589 176.300 0.006 0.000 0.937 48 R CA 0.723 56.827 56.100 0.008 0.000 0.641 48 R CB -1.591 28.712 30.300 0.006 0.000 1.114 48 R HN 0.339 nan 8.270 nan 0.000 0.451 49 K N -0.566 119.837 120.400 0.005 0.000 2.512 49 K HA 0.426 4.746 4.320 -0.001 0.000 0.263 49 K C -2.788 173.814 176.600 0.003 0.000 0.966 49 K CA -2.359 53.929 56.287 0.001 0.000 0.851 49 K CB 2.208 34.704 32.500 -0.007 0.000 1.395 49 K HN -0.237 nan 8.250 nan 0.000 0.440 50 P HA 0.058 nan 4.420 nan 0.000 0.267 50 P C -2.223 175.068 177.300 -0.016 0.000 1.209 50 P CA -1.014 62.091 63.100 0.008 0.000 0.763 50 P CB 0.398 32.102 31.700 0.008 0.000 0.816 51 P HA -0.248 nan 4.420 nan 0.000 0.216 51 P C 1.573 178.801 177.300 -0.121 0.000 1.157 51 P CA 1.372 64.401 63.100 -0.118 0.000 0.880 51 P CB 0.044 31.661 31.700 -0.139 0.000 0.791 52 Q N -0.420 119.348 119.800 -0.053 0.000 2.234 52 Q HA -0.132 4.208 4.340 -0.001 0.000 0.206 52 Q C 1.927 177.903 176.000 -0.040 0.000 0.980 52 Q CA 1.856 57.636 55.803 -0.038 0.000 0.869 52 Q CB -1.096 27.642 28.738 0.001 0.000 0.912 52 Q HN 0.155 nan 8.270 nan 0.000 0.436 53 A N -0.330 122.469 122.820 -0.035 0.000 1.930 53 A HA -0.025 4.294 4.320 -0.001 0.000 0.215 53 A C 1.969 179.529 177.584 -0.039 0.000 1.176 53 A CA 1.044 53.063 52.037 -0.029 0.000 0.632 53 A CB -0.441 18.548 19.000 -0.019 0.000 0.819 53 A HN 0.442 nan 8.150 nan 0.000 0.445 54 I N -0.154 120.382 120.570 -0.056 0.000 2.315 54 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 54 I C 2.898 178.976 176.117 -0.065 0.000 1.117 54 I CA 0.927 62.191 61.300 -0.061 0.000 1.404 54 I CB -0.402 37.549 38.000 -0.082 0.000 1.071 54 I HN 0.328 nan 8.210 nan 0.000 0.419 55 A N 0.605 123.373 122.820 -0.085 0.000 1.877 55 A HA -0.279 4.040 4.320 -0.001 0.000 0.216 55 A C 2.292 179.841 177.584 -0.058 0.000 1.186 55 A CA 1.954 53.943 52.037 -0.081 0.000 0.620 55 A CB -0.647 18.294 19.000 -0.097 0.000 0.822 55 A HN 0.397 nan 8.150 nan 0.000 0.443 56 Q N -0.033 119.738 119.800 -0.049 0.000 2.124 56 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 56 Q C 1.864 177.848 176.000 -0.027 0.000 0.977 56 Q CA 2.247 58.028 55.803 -0.037 0.000 0.850 56 Q CB -0.302 28.419 28.738 -0.028 0.000 0.901 56 Q HN 0.681 nan 8.270 nan 0.000 0.429 57 E N -0.350 119.835 120.200 -0.026 0.000 2.031 57 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 57 E C 1.722 178.316 176.600 -0.010 0.000 0.994 57 E CA 1.356 57.746 56.400 -0.017 0.000 0.800 57 E CB -0.661 29.028 29.700 -0.019 0.000 0.752 57 E HN 0.396 nan 8.360 nan 0.000 0.447 58 L N 1.233 122.450 121.223 -0.010 0.000 2.042 58 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 58 L C 2.301 179.184 176.870 0.021 0.000 1.076 58 L CA 2.189 57.035 54.840 0.010 0.000 0.749 58 L CB -0.680 41.390 42.059 0.019 0.000 0.893 58 L HN 0.172 nan 8.230 nan 0.000 0.432 59 K N -0.801 119.598 120.400 -0.001 0.000 2.103 59 K HA -0.207 4.113 4.320 -0.001 0.000 0.207 59 K C 1.614 178.217 176.600 0.005 0.000 1.048 59 K CA 1.798 58.082 56.287 -0.004 0.000 0.930 59 K CB -0.145 32.330 32.500 -0.042 0.000 0.716 59 K HN 0.389 nan 8.250 nan 0.000 0.444 60 D N 0.269 120.668 120.400 -0.001 0.000 2.144 60 D HA -0.106 4.534 4.640 -0.001 0.000 0.200 60 D C 1.065 177.368 176.300 0.004 0.000 0.978 60 D CA 1.126 55.126 54.000 -0.001 0.000 0.833 60 D CB 0.067 40.865 40.800 -0.005 0.000 0.961 60 D HN 0.234 nan 8.370 nan 0.000 0.470 61 R N -0.247 120.258 120.500 0.008 0.000 2.552 61 R HA 0.228 4.567 4.340 -0.001 0.000 0.314 61 R C -0.312 175.998 176.300 0.015 0.000 1.041 61 R CA -0.374 55.731 56.100 0.008 0.000 1.076 61 R CB 0.561 30.864 30.300 0.005 0.000 1.290 61 R HN -0.007 nan 8.270 nan 0.000 0.563 62 L N 2.868 124.108 121.223 0.027 0.000 2.277 62 L HA 0.401 4.740 4.340 -0.001 0.000 0.284 62 L C -2.393 174.494 176.870 0.027 0.000 1.028 62 L CA -2.381 52.483 54.840 0.040 0.000 0.835 62 L CB 0.937 43.051 42.059 0.092 0.000 1.215 62 L HN -0.096 nan 8.230 nan 0.000 0.425 63 P HA 0.134 nan 4.420 nan 0.000 0.275 63 P C -0.564 176.715 177.300 -0.036 0.000 1.276 63 P CA -0.270 62.821 63.100 -0.015 0.000 0.782 63 P CB 0.513 32.200 31.700 -0.022 0.000 0.851 64 L N 6.172 127.375 121.223 -0.033 0.000 2.513 64 L HA 0.116 4.455 4.340 -0.001 0.000 0.272 64 L C -1.583 175.175 176.870 -0.187 0.000 1.187 64 L CA -1.511 53.285 54.840 -0.073 0.000 0.895 64 L CB -0.639 41.404 42.059 -0.027 0.000 1.147 64 L HN 0.218 nan 8.230 nan 0.000 0.483 65 P HA 0.009 nan 4.420 nan 0.000 0.269 65 P C 0.302 177.282 177.300 -0.532 0.000 1.215 65 P CA -0.422 62.330 63.100 -0.581 0.000 0.780 65 P CB 0.570 31.535 31.700 -1.225 0.000 0.898 66 E N 1.387 121.389 120.200 -0.329 0.000 2.331 66 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 66 E C 0.994 177.555 176.600 -0.066 0.000 1.008 66 E CA 1.500 57.818 56.400 -0.136 0.000 0.843 66 E CB -1.186 28.500 29.700 -0.023 0.000 0.761 66 E HN 0.575 nan 8.360 nan 0.000 0.507 67 F N -0.720 119.250 119.950 0.032 0.000 2.797 67 F HA 0.364 4.890 4.527 -0.001 0.000 0.302 67 F C 0.143 175.983 175.800 0.067 0.000 1.130 67 F CA -0.758 57.269 58.000 0.045 0.000 1.387 67 F CB -0.256 38.767 39.000 0.038 0.000 1.107 67 F HN -0.202 nan 8.300 nan 0.000 0.577 68 V N 2.037 121.917 119.914 -0.057 0.000 2.383 68 V HA 0.159 4.279 4.120 -0.001 0.000 0.275 68 V C 1.097 177.245 176.094 0.090 0.000 1.036 68 V CA -0.390 61.966 62.300 0.094 0.000 0.889 68 V CB 1.251 33.094 31.823 0.034 0.000 0.985 68 V HN 0.213 nan 8.190 nan 0.000 0.459 69 E N 4.086 124.365 120.200 0.132 0.000 2.046 69 E HA -0.037 4.313 4.350 -0.001 0.000 0.190 69 E C 0.718 177.364 176.600 0.076 0.000 0.982 69 E CA 1.268 57.723 56.400 0.092 0.000 0.800 69 E CB 0.350 30.106 29.700 0.093 0.000 0.756 69 E HN 0.793 nan 8.360 nan 0.000 0.449 70 E N -1.498 118.761 120.200 0.097 0.000 2.380 70 E HA 0.520 4.869 4.350 -0.001 0.000 0.281 70 E C -1.933 174.698 176.600 0.052 0.000 0.999 70 E CA -0.563 55.873 56.400 0.061 0.000 0.800 70 E CB 1.352 31.070 29.700 0.031 0.000 1.228 70 E HN 0.131 nan 8.360 nan 0.000 0.436 71 A N 2.641 125.451 122.820 -0.016 0.000 2.304 71 A HA 0.652 4.971 4.320 -0.001 0.000 0.323 71 A C -1.093 176.374 177.584 -0.194 0.000 1.195 71 A CA -0.538 51.375 52.037 -0.207 0.000 0.826 71 A CB 1.275 20.159 19.000 -0.194 0.000 1.184 71 A HN 0.264 nan 8.150 nan 0.000 0.496 72 V N 4.400 124.164 119.914 -0.251 0.000 2.443 72 V HA 0.338 4.458 4.120 -0.001 0.000 0.293 72 V C -2.664 173.341 176.094 -0.149 0.000 1.021 72 V CA -1.646 60.565 62.300 -0.148 0.000 0.848 72 V CB 1.877 33.647 31.823 -0.089 0.000 0.998 72 V HN 0.759 nan 8.190 nan 0.000 0.424 73 P HA 0.226 nan 4.420 nan 0.000 0.276 73 P C -0.715 176.567 177.300 -0.029 0.000 1.264 73 P CA 0.091 63.146 63.100 -0.075 0.000 0.769 73 P CB 0.692 32.356 31.700 -0.060 0.000 0.840 74 V N 4.127 124.045 119.914 0.007 0.000 2.325 74 V HA 0.439 4.558 4.120 -0.001 0.000 0.280 74 V C 0.948 177.116 176.094 0.124 0.000 1.016 74 V CA -0.652 61.676 62.300 0.047 0.000 0.818 74 V CB 0.758 32.599 31.823 0.029 0.000 1.019 74 V HN 0.822 nan 8.190 nan 0.000 0.434 75 G N 3.634 112.496 108.800 0.104 0.000 2.196 75 G HA2 0.108 4.068 3.960 -0.001 0.000 0.261 75 G HA3 0.108 4.068 3.960 -0.001 0.000 0.261 75 G C 1.264 176.313 174.900 0.248 0.000 0.832 75 G CA 1.023 46.217 45.100 0.156 0.000 1.246 75 G HN 2.108 nan 8.290 nan 0.000 0.383 76 G N -0.571 108.265 108.800 0.059 0.000 2.358 76 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.224 76 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.224 76 G C 0.459 175.031 174.900 -0.546 0.000 1.073 76 G CA 0.627 45.544 45.100 -0.304 0.000 0.635 76 G HN 1.196 nan 8.290 nan 0.000 0.509 77 Y N -0.394 119.800 120.300 -0.177 0.000 2.488 77 Y HA 0.762 5.311 4.550 -0.001 0.000 0.325 77 Y C 0.235 176.066 175.900 -0.115 0.000 1.204 77 Y CA -0.990 57.035 58.100 -0.125 0.000 1.229 77 Y CB 1.570 40.039 38.460 0.015 0.000 1.274 77 Y HN 0.291 nan 8.280 nan 0.000 0.493 78 L N 3.377 124.640 121.223 0.067 0.000 2.345 78 L HA 0.518 4.858 4.340 -0.001 0.000 0.274 78 L C -1.304 175.431 176.870 -0.225 0.000 0.999 78 L CA -0.660 54.105 54.840 -0.126 0.000 0.849 78 L CB 0.092 42.063 42.059 -0.146 0.000 1.220 78 L HN 0.544 nan 8.230 nan 0.000 0.422 79 N N 4.158 122.698 118.700 -0.267 0.000 2.508 79 N HA 0.532 5.271 4.740 -0.001 0.000 0.285 79 N C -1.337 173.895 175.510 -0.463 0.000 1.144 79 N CA 0.009 52.948 53.050 -0.184 0.000 0.978 79 N CB 1.160 39.618 38.487 -0.047 0.000 1.180 79 N HN 0.340 nan 8.380 nan 0.000 0.484 80 F N -0.067 119.958 119.950 0.124 0.000 2.518 80 F HA 0.401 4.928 4.527 -0.001 0.000 0.323 80 F C 0.660 176.536 175.800 0.126 0.000 1.129 80 F CA -0.926 57.154 58.000 0.133 0.000 0.920 80 F CB 1.617 40.730 39.000 0.190 0.000 1.160 80 F HN 0.144 nan 8.300 nan 0.000 0.440 81 R N 4.016 124.657 120.500 0.236 0.000 2.255 81 R HA 0.638 4.978 4.340 -0.001 0.000 0.326 81 R C -1.171 175.253 176.300 0.207 0.000 0.986 81 R CA -0.420 55.779 56.100 0.164 0.000 0.847 81 R CB 0.699 31.052 30.300 0.089 0.000 1.111 81 R HN 0.763 nan 8.270 nan 0.000 0.452 82 L N 4.086 125.433 121.223 0.208 0.000 2.418 82 L HA 0.420 4.759 4.340 -0.001 0.000 0.265 82 L C 0.612 177.582 176.870 0.167 0.000 1.143 82 L CA -0.730 54.252 54.840 0.238 0.000 0.809 82 L CB 0.945 43.158 42.059 0.257 0.000 1.124 82 L HN 0.539 nan 8.230 nan 0.000 0.456 83 R N 0.828 121.434 120.500 0.177 0.000 2.316 83 R HA 0.078 4.418 4.340 -0.001 0.000 0.314 83 R C 0.940 177.308 176.300 0.114 0.000 1.069 83 R CA -0.249 55.927 56.100 0.127 0.000 0.959 83 R CB 0.749 31.124 30.300 0.124 0.000 0.987 83 R HN 0.671 nan 8.270 nan 0.000 0.446 84 T N 1.823 116.429 114.554 0.086 0.000 2.653 84 T HA -0.265 4.084 4.350 -0.001 0.000 0.268 84 T C 1.590 176.334 174.700 0.074 0.000 1.035 84 T CA 1.770 63.913 62.100 0.073 0.000 1.154 84 T CB -0.059 68.843 68.868 0.058 0.000 0.862 84 T HN 0.669 nan 8.240 nan 0.000 0.441 85 E N 0.819 121.063 120.200 0.073 0.000 2.038 85 E HA -0.171 4.179 4.350 -0.001 0.000 0.195 85 E C 2.453 179.099 176.600 0.077 0.000 1.000 85 E CA 1.176 57.618 56.400 0.069 0.000 0.803 85 E CB -0.257 29.482 29.700 0.065 0.000 0.750 85 E HN 0.488 nan 8.360 nan 0.000 0.448 86 A N 1.544 124.423 122.820 0.099 0.000 1.902 86 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 86 A C 2.257 179.889 177.584 0.081 0.000 1.181 86 A CA 1.284 53.389 52.037 0.114 0.000 0.623 86 A CB -0.766 18.353 19.000 0.198 0.000 0.818 86 A HN 0.458 nan 8.150 nan 0.000 0.443 87 L N -0.473 120.803 121.223 0.088 0.000 1.989 87 L HA -0.190 4.150 4.340 -0.001 0.000 0.211 87 L C 2.472 179.372 176.870 0.050 0.000 1.071 87 L CA 1.696 56.576 54.840 0.067 0.000 0.749 87 L CB -0.285 41.825 42.059 0.084 0.000 0.890 87 L HN 0.438 nan 8.230 nan 0.000 0.431 88 L N -0.538 120.718 121.223 0.055 0.000 2.017 88 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 88 L C 2.833 179.729 176.870 0.044 0.000 1.073 88 L CA 1.488 56.357 54.840 0.049 0.000 0.745 88 L CB -0.596 41.495 42.059 0.054 0.000 0.894 88 L HN 0.294 nan 8.230 nan 0.000 0.432 89 R N 0.315 120.842 120.500 0.045 0.000 2.083 89 R HA -0.256 4.084 4.340 -0.001 0.000 0.237 89 R C 2.289 178.603 176.300 0.025 0.000 1.137 89 R CA 2.016 58.140 56.100 0.040 0.000 0.951 89 R CB -0.102 30.226 30.300 0.045 0.000 0.851 89 R HN 0.252 nan 8.270 nan 0.000 0.434 90 E N 0.065 120.271 120.200 0.010 0.000 2.150 90 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 90 E C 1.552 178.155 176.600 0.006 0.000 0.985 90 E CA 1.498 57.889 56.400 -0.015 0.000 0.814 90 E CB -0.108 29.548 29.700 -0.073 0.000 0.752 90 E HN 0.432 nan 8.360 nan 0.000 0.466 91 A N 0.337 123.171 122.820 0.023 0.000 1.968 91 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 91 A C 2.174 179.775 177.584 0.028 0.000 1.169 91 A CA 1.081 53.138 52.037 0.034 0.000 0.638 91 A CB -0.461 18.561 19.000 0.037 0.000 0.812 91 A HN 0.345 nan 8.150 nan 0.000 0.446 92 L N -0.913 120.329 121.223 0.031 0.000 2.240 92 L HA 0.021 4.360 4.340 -0.001 0.000 0.211 92 L C 1.557 178.444 176.870 0.029 0.000 1.106 92 L CA 0.054 54.916 54.840 0.037 0.000 0.793 92 L CB -0.359 41.732 42.059 0.053 0.000 0.927 92 L HN 0.374 nan 8.230 nan 0.000 0.446 93 R N 2.616 123.128 120.500 0.020 0.000 2.583 93 R HA 0.016 4.356 4.340 -0.001 0.000 0.274 93 R C -2.081 174.223 176.300 0.006 0.000 0.998 93 R CA -1.089 55.017 56.100 0.008 0.000 1.081 93 R CB 0.241 30.540 30.300 -0.002 0.000 0.940 93 R HN -0.065 nan 8.270 nan 0.000 0.413 94 P HA 0.062 nan 4.420 nan 0.000 0.271 94 P C -1.585 175.713 177.300 -0.004 0.000 1.220 94 P CA -0.166 62.933 63.100 -0.001 0.000 0.768 94 P CB 0.788 32.484 31.700 -0.007 0.000 0.848 95 K N 1.999 122.414 120.400 0.026 0.000 2.240 95 K HA 0.762 5.081 4.320 -0.001 0.000 0.271 95 K C -0.255 176.398 176.600 0.088 0.000 1.018 95 K CA -0.807 55.518 56.287 0.062 0.000 0.874 95 K CB 1.236 33.859 32.500 0.205 0.000 1.098 95 K HN 0.487 nan 8.250 nan 0.000 0.458 96 A N 3.054 125.839 122.820 -0.058 0.000 2.485 96 A HA 0.792 5.111 4.320 -0.001 0.000 0.292 96 A C -2.684 174.597 177.584 -0.505 0.000 1.147 96 A CA -2.052 49.919 52.037 -0.110 0.000 0.750 96 A CB 0.607 19.539 19.000 -0.114 0.000 1.331 96 A HN 0.570 nan 8.150 nan 0.000 0.419 97 P HA 0.219 nan 4.420 nan 0.000 0.266 97 P C -0.704 176.261 177.300 -0.559 0.000 1.193 97 P CA 0.499 63.031 63.100 -0.946 0.000 0.770 97 P CB 0.032 31.443 31.700 -0.482 0.000 0.836 98 F N 2.490 122.193 119.950 -0.413 0.000 2.435 98 F HA 0.275 4.801 4.527 -0.001 0.000 0.316 98 F C -1.264 174.445 175.800 -0.152 0.000 1.220 98 F CA -1.789 56.082 58.000 -0.213 0.000 1.241 98 F CB -1.400 37.501 39.000 -0.164 0.000 1.234 98 F HN 0.237 nan 8.300 nan 0.000 0.569 99 P HA 0.021 nan 4.420 nan 0.000 0.264 99 P C -0.685 176.629 177.300 0.023 0.000 1.183 99 P CA -0.173 62.942 63.100 0.025 0.000 0.763 99 P CB 0.417 32.134 31.700 0.028 0.000 0.807 100 R N 3.440 123.940 120.500 0.001 0.000 2.442 100 R HA 0.192 4.532 4.340 -0.001 0.000 0.291 100 R C -0.326 175.972 176.300 -0.005 0.000 1.069 100 R CA 0.427 56.526 56.100 -0.002 0.000 1.022 100 R CB 0.167 30.463 30.300 -0.006 0.000 0.976 100 R HN 0.371 nan 8.270 nan 0.000 0.443 101 R N 5.523 126.018 120.500 -0.009 0.000 2.387 101 R HA 0.396 4.736 4.340 -0.001 0.000 0.314 101 R C -2.197 174.093 176.300 -0.016 0.000 0.958 101 R CA -1.948 54.143 56.100 -0.014 0.000 0.846 101 R CB 1.753 32.040 30.300 -0.021 0.000 1.147 101 R HN 0.580 nan 8.270 nan 0.000 0.447 102 P HA 0.176 nan 4.420 nan 0.000 0.272 102 P C -0.580 176.705 177.300 -0.026 0.000 1.240 102 P CA 0.025 63.113 63.100 -0.020 0.000 0.791 102 P CB 0.778 32.466 31.700 -0.019 0.000 0.978 103 G N -0.291 108.490 108.800 -0.031 0.000 3.353 103 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.682 103 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.682 103 G C -0.740 174.135 174.900 -0.041 0.000 1.192 103 G CA -0.971 44.105 45.100 -0.041 0.000 1.111 103 G HN 0.403 nan 8.290 nan 0.000 0.493 104 V N 2.141 122.022 119.914 -0.054 0.000 2.599 104 V HA 0.318 4.437 4.120 -0.001 0.000 0.300 104 V C 1.012 177.074 176.094 -0.052 0.000 1.034 104 V CA -0.102 62.166 62.300 -0.053 0.000 1.115 104 V CB 1.508 33.286 31.823 -0.074 0.000 0.934 104 V HN 0.794 nan 8.190 nan 0.000 0.485 105 V N 6.710 126.605 119.914 -0.031 0.000 2.350 105 V HA 0.324 4.443 4.120 -0.001 0.000 0.285 105 V C -0.262 175.822 176.094 -0.016 0.000 1.014 105 V CA -0.517 61.773 62.300 -0.016 0.000 0.831 105 V CB 1.431 33.255 31.823 0.002 0.000 1.000 105 V HN 0.636 nan 8.190 nan 0.000 0.433 106 L N 7.407 128.611 121.223 -0.031 0.000 2.257 106 L HA 0.542 4.882 4.340 -0.001 0.000 0.290 106 L C -0.241 176.632 176.870 0.004 0.000 1.044 106 L CA 0.297 55.120 54.840 -0.028 0.000 0.810 106 L CB 1.389 43.402 42.059 -0.076 0.000 1.193 106 L HN 0.428 nan 8.230 nan 0.000 0.425 107 V N 5.327 125.254 119.914 0.023 0.000 2.370 107 V HA 0.393 4.512 4.120 -0.001 0.000 0.279 107 V C 0.040 176.159 176.094 0.042 0.000 1.029 107 V CA -0.667 61.667 62.300 0.057 0.000 0.870 107 V CB 1.324 33.200 31.823 0.089 0.000 0.984 107 V HN 0.766 nan 8.190 nan 0.000 0.451 108 E N 5.178 125.422 120.200 0.073 0.000 2.151 108 E HA 0.606 4.956 4.350 -0.001 0.000 0.275 108 E C -1.025 175.668 176.600 0.154 0.000 0.936 108 E CA -0.518 55.926 56.400 0.073 0.000 0.777 108 E CB 1.171 30.934 29.700 0.105 0.000 1.108 108 E HN 1.000 nan 8.360 nan 0.000 0.401 109 H N 1.032 120.179 119.070 0.129 0.000 2.960 109 H HA 0.513 5.069 4.556 -0.001 0.000 0.323 109 H C 0.355 175.772 175.328 0.148 0.000 1.326 109 H CA 0.169 56.287 56.048 0.117 0.000 1.124 109 H CB 1.201 31.001 29.762 0.062 0.000 1.853 109 H HN 0.523 nan 8.280 nan 0.000 0.536 110 T N -0.279 114.504 114.554 0.382 0.000 13.989 110 T HA -0.318 4.031 4.350 -0.001 0.000 0.419 110 T C 0.571 175.311 174.700 0.067 0.000 1.441 110 T CA 2.103 64.335 62.100 0.220 0.000 2.338 110 T CB -2.086 66.963 68.868 0.303 0.000 2.768 110 T HN 1.525 nan 8.240 nan 0.000 0.355 111 S N 0.946 116.646 115.700 -0.001 0.000 3.447 111 S HA -0.044 4.426 4.470 -0.001 0.000 0.371 111 S C 0.193 174.733 174.600 -0.099 0.000 0.951 111 S CA 0.516 58.695 58.200 -0.034 0.000 1.269 111 S CB -1.739 61.553 63.200 0.154 0.000 0.919 111 S HN 1.716 nan 8.310 nan 0.000 0.516 112 V N -1.104 118.661 119.914 -0.248 0.000 2.837 112 V HA 0.588 4.707 4.120 -0.001 0.000 0.310 112 V C 0.520 176.442 176.094 -0.287 0.000 1.059 112 V CA -1.378 60.720 62.300 -0.336 0.000 1.004 112 V CB 1.028 32.425 31.823 -0.711 0.000 1.045 112 V HN 0.353 nan 8.190 nan 0.000 0.465 113 N N 3.847 122.418 118.700 -0.215 0.000 2.411 113 N HA 0.162 4.902 4.740 -0.001 0.000 0.261 113 N C -2.207 173.167 175.510 -0.226 0.000 1.248 113 N CA -0.826 52.111 53.050 -0.188 0.000 0.885 113 N CB 0.765 39.180 38.487 -0.120 0.000 1.062 113 N HN 0.646 nan 8.380 nan 0.000 0.471 114 P HA 0.110 nan 4.420 nan 0.000 0.220 114 P C -0.240 176.988 177.300 -0.120 0.000 1.806 114 P CA -0.096 62.884 63.100 -0.199 0.000 0.976 114 P CB -0.284 31.267 31.700 -0.249 0.000 1.952 115 N N 1.429 120.047 118.700 -0.138 0.000 2.143 115 N HA 0.044 4.784 4.740 -0.001 0.000 0.222 115 N C 0.056 175.474 175.510 -0.154 0.000 1.264 115 N CA -0.107 52.874 53.050 -0.114 0.000 0.897 115 N CB 0.752 39.160 38.487 -0.132 0.000 1.092 115 N HN 0.300 nan 8.380 nan 0.000 0.516 116 K N -0.746 119.551 120.400 -0.172 0.000 2.809 116 K HA 0.116 4.436 4.320 -0.001 0.000 0.293 116 K C -1.120 175.373 176.600 -0.178 0.000 1.061 116 K CA -0.839 55.342 56.287 -0.176 0.000 0.837 116 K CB 0.774 33.134 32.500 -0.232 0.000 1.524 116 K HN -0.070 nan 8.250 nan 0.000 0.370 117 E N 2.248 122.310 120.200 -0.231 0.000 2.418 117 E HA 0.068 4.418 4.350 -0.001 0.000 0.261 117 E C -0.239 176.272 176.600 -0.148 0.000 1.070 117 E CA -0.238 56.000 56.400 -0.270 0.000 0.931 117 E CB 0.454 29.747 29.700 -0.679 0.000 0.954 117 E HN 0.499 nan 8.360 nan 0.000 0.439 118 L N 2.802 123.975 121.223 -0.083 0.000 2.461 118 L HA 0.159 4.499 4.340 -0.001 0.000 0.272 118 L C 1.148 178.070 176.870 0.087 0.000 1.197 118 L CA -0.207 54.656 54.840 0.039 0.000 0.836 118 L CB -0.202 41.872 42.059 0.026 0.000 1.105 118 L HN 0.675 nan 8.230 nan 0.000 0.477 119 H N -0.226 118.935 119.070 0.151 0.000 2.737 119 H HA 0.291 4.846 4.556 -0.001 0.000 0.358 119 H C 0.973 176.231 175.328 -0.116 0.000 1.187 119 H CA -0.822 55.188 56.048 -0.062 0.000 1.221 119 H CB 1.697 31.366 29.762 -0.155 0.000 1.799 119 H HN 0.384 nan 8.280 nan 0.000 0.568 120 V N -0.975 119.018 119.914 0.131 0.000 2.439 120 V HA -0.200 3.920 4.120 -0.001 0.000 0.253 120 V C 2.210 178.333 176.094 0.049 0.000 1.074 120 V CA 2.119 64.434 62.300 0.025 0.000 1.076 120 V CB -1.511 30.288 31.823 -0.040 0.000 0.664 120 V HN 0.937 nan 8.190 nan 0.000 0.461 121 G N -0.495 108.391 108.800 0.144 0.000 2.450 121 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 121 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 121 G C 1.241 176.209 174.900 0.114 0.000 1.130 121 G CA 1.132 46.296 45.100 0.106 0.000 0.760 121 G HN 0.754 nan 8.290 nan 0.000 0.557 122 H N -0.739 118.421 119.070 0.151 0.000 2.529 122 H HA 0.256 4.811 4.556 -0.001 0.000 0.277 122 H C 2.424 177.706 175.328 -0.076 0.000 0.999 122 H CA -0.261 55.776 56.048 -0.018 0.000 1.256 122 H CB 0.228 29.906 29.762 -0.140 0.000 1.402 122 H HN 0.205 nan 8.280 nan 0.000 0.566 123 L N 0.560 121.792 121.223 0.015 0.000 1.976 123 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 123 L C 2.698 179.467 176.870 -0.168 0.000 1.071 123 L CA 1.422 56.213 54.840 -0.083 0.000 0.746 123 L CB -0.170 41.808 42.059 -0.134 0.000 0.890 123 L HN 0.218 nan 8.230 nan 0.000 0.432 124 R N 0.288 120.648 120.500 -0.232 0.000 2.091 124 R HA -0.246 4.094 4.340 -0.001 0.000 0.238 124 R C 1.953 177.933 176.300 -0.534 0.000 1.136 124 R CA 2.221 58.102 56.100 -0.365 0.000 0.959 124 R CB -0.437 29.620 30.300 -0.405 0.000 0.856 124 R HN 0.419 nan 8.270 nan 0.000 0.437 125 N N -0.236 118.080 118.700 -0.640 0.000 2.018 125 N HA -0.190 4.550 4.740 -0.001 0.000 0.196 125 N C 1.689 177.028 175.510 -0.285 0.000 1.043 125 N CA 2.324 55.078 53.050 -0.494 0.000 0.856 125 N CB -0.115 38.309 38.487 -0.105 0.000 1.042 125 N HN 0.265 nan 8.380 nan 0.000 0.423 126 I N 0.444 120.894 120.570 -0.199 0.000 2.179 126 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 126 I C 2.514 178.427 176.117 -0.341 0.000 1.088 126 I CA 1.133 62.293 61.300 -0.233 0.000 1.357 126 I CB -0.617 37.348 38.000 -0.057 0.000 1.051 126 I HN 0.293 nan 8.210 nan 0.000 0.409 127 A N 0.906 123.579 122.820 -0.245 0.000 1.883 127 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 127 A C 2.394 179.840 177.584 -0.229 0.000 1.186 127 A CA 1.484 53.395 52.037 -0.210 0.000 0.624 127 A CB -0.903 17.995 19.000 -0.169 0.000 0.822 127 A HN 0.403 nan 8.150 nan 0.000 0.444 128 L N -0.897 120.178 121.223 -0.247 0.000 2.017 128 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 128 L C 2.726 179.479 176.870 -0.195 0.000 1.073 128 L CA 1.358 56.084 54.840 -0.190 0.000 0.745 128 L CB -0.681 41.274 42.059 -0.174 0.000 0.894 128 L HN 0.504 nan 8.230 nan 0.000 0.432 129 G N -0.791 107.821 108.800 -0.314 0.000 2.421 129 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.216 129 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.216 129 G C 1.162 175.852 174.900 -0.349 0.000 1.171 129 G CA 1.039 45.934 45.100 -0.342 0.000 0.775 129 G HN 0.439 nan 8.290 nan 0.000 0.543 130 D N 0.612 120.674 120.400 -0.563 0.000 2.117 130 D HA 0.024 4.664 4.640 -0.001 0.000 0.197 130 D C 2.681 178.908 176.300 -0.122 0.000 0.987 130 D CA 1.539 55.388 54.000 -0.252 0.000 0.829 130 D CB -0.310 40.342 40.800 -0.246 0.000 0.961 130 D HN 0.238 nan 8.370 nan 0.000 0.460 131 A N 0.098 122.838 122.820 -0.133 0.000 1.877 131 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 131 A C 2.259 179.809 177.584 -0.056 0.000 1.186 131 A CA 1.387 53.374 52.037 -0.082 0.000 0.620 131 A CB -0.882 18.064 19.000 -0.090 0.000 0.822 131 A HN 0.387 nan 8.150 nan 0.000 0.443 132 I N -0.181 120.354 120.570 -0.057 0.000 2.394 132 I HA -0.122 4.048 4.170 -0.001 0.000 0.251 132 I C 2.519 178.631 176.117 -0.009 0.000 1.136 132 I CA 1.045 62.325 61.300 -0.033 0.000 1.425 132 I CB -0.473 37.513 38.000 -0.023 0.000 1.079 132 I HN 0.294 nan 8.210 nan 0.000 0.425 133 A N 0.393 123.216 122.820 0.005 0.000 1.873 133 A HA -0.195 4.125 4.320 -0.001 0.000 0.215 133 A C 2.465 180.064 177.584 0.025 0.000 1.186 133 A CA 1.629 53.682 52.037 0.026 0.000 0.616 133 A CB -0.570 18.459 19.000 0.048 0.000 0.823 133 A HN 0.416 nan 8.150 nan 0.000 0.442 134 R N -0.537 119.973 120.500 0.017 0.000 2.073 134 R HA -0.024 4.315 4.340 -0.001 0.000 0.234 134 R C 2.032 178.372 176.300 0.065 0.000 1.134 134 R CA 1.585 57.709 56.100 0.039 0.000 0.952 134 R CB -0.501 29.811 30.300 0.019 0.000 0.850 134 R HN 0.560 nan 8.270 nan 0.000 0.433 135 I N 0.885 121.471 120.570 0.028 0.000 2.179 135 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 135 I C 2.242 178.396 176.117 0.062 0.000 1.088 135 I CA 1.362 62.679 61.300 0.028 0.000 1.357 135 I CB -0.268 37.712 38.000 -0.033 0.000 1.051 135 I HN 0.153 nan 8.210 nan 0.000 0.409 136 L N 0.427 121.666 121.223 0.026 0.000 2.046 136 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 136 L C 2.842 179.738 176.870 0.044 0.000 1.077 136 L CA 1.414 56.262 54.840 0.013 0.000 0.747 136 L CB -0.687 41.371 42.059 -0.001 0.000 0.896 136 L HN 0.252 nan 8.230 nan 0.000 0.432 137 A N -0.781 122.081 122.820 0.069 0.000 1.877 137 A HA -0.301 4.018 4.320 -0.001 0.000 0.216 137 A C 2.196 179.852 177.584 0.120 0.000 1.186 137 A CA 1.690 53.774 52.037 0.077 0.000 0.620 137 A CB -0.989 18.059 19.000 0.080 0.000 0.822 137 A HN 0.473 nan 8.150 nan 0.000 0.443 138 Y N 0.584 120.916 120.300 0.053 0.000 2.224 138 Y HA -0.087 4.463 4.550 -0.001 0.000 0.289 138 Y C 2.434 178.443 175.900 0.181 0.000 1.146 138 Y CA 1.275 59.439 58.100 0.107 0.000 1.182 138 Y CB -0.300 38.224 38.460 0.107 0.000 0.983 138 Y HN 0.294 nan 8.280 nan 0.000 0.524 139 A N -0.687 122.254 122.820 0.201 0.000 2.239 139 A HA 0.266 4.585 4.320 -0.001 0.000 0.209 139 A C 1.905 179.460 177.584 -0.049 0.000 1.171 139 A CA 1.137 53.165 52.037 -0.016 0.000 0.768 139 A CB -1.320 17.601 19.000 -0.131 0.000 0.790 139 A HN 0.946 nan 8.150 nan 0.000 0.478 140 G N -1.617 107.196 108.800 0.022 0.000 2.201 140 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.212 140 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.212 140 G C 0.235 175.131 174.900 -0.006 0.000 0.994 140 G CA -0.131 44.976 45.100 0.011 0.000 0.644 140 G HN 0.413 nan 8.290 nan 0.000 0.508 141 R N 1.122 121.616 120.500 -0.009 0.000 2.490 141 R HA 0.447 4.786 4.340 -0.001 0.000 0.278 141 R C 0.231 176.531 176.300 -0.001 0.000 1.069 141 R CA -0.731 55.363 56.100 -0.011 0.000 1.080 141 R CB 0.614 30.904 30.300 -0.016 0.000 1.030 141 R HN 0.549 nan 8.270 nan 0.000 0.491 142 E N 2.085 122.282 120.200 -0.006 0.000 2.052 142 E HA 0.201 4.551 4.350 -0.001 0.000 0.283 142 E C -0.929 175.670 176.600 -0.002 0.000 1.071 142 E CA -0.331 56.067 56.400 -0.003 0.000 0.851 142 E CB 0.650 30.344 29.700 -0.009 0.000 1.066 142 E HN 0.159 nan 8.360 nan 0.000 0.396 143 V N 6.103 126.020 119.914 0.006 0.000 2.581 143 V HA 0.454 4.574 4.120 -0.001 0.000 0.303 143 V C -0.074 176.024 176.094 0.007 0.000 1.041 143 V CA -0.770 61.534 62.300 0.007 0.000 0.907 143 V CB 1.619 33.452 31.823 0.016 0.000 0.994 143 V HN 0.650 nan 8.190 nan 0.000 0.442 144 L N 4.153 125.378 121.223 0.003 0.000 2.410 144 L HA 0.623 4.962 4.340 -0.001 0.000 0.270 144 L C -0.980 175.890 176.870 0.001 0.000 0.983 144 L CA -0.783 54.060 54.840 0.004 0.000 0.822 144 L CB 2.391 44.456 42.059 0.011 0.000 1.285 144 L HN 0.341 nan 8.230 nan 0.000 0.409 145 V N 4.311 124.216 119.914 -0.014 0.000 2.370 145 V HA 0.427 4.547 4.120 -0.001 0.000 0.283 145 V C -0.198 175.890 176.094 -0.011 0.000 1.023 145 V CA -0.408 61.857 62.300 -0.058 0.000 0.857 145 V CB 1.992 33.723 31.823 -0.154 0.000 0.985 145 V HN 0.507 nan 8.190 nan 0.000 0.443 146 L N 5.225 126.452 121.223 0.005 0.000 2.329 146 L HA 0.618 4.957 4.340 -0.001 0.000 0.279 146 L C -0.243 176.671 176.870 0.073 0.000 1.014 146 L CA -0.325 54.575 54.840 0.100 0.000 0.814 146 L CB 1.598 43.771 42.059 0.189 0.000 1.257 146 L HN 0.748 nan 8.230 nan 0.000 0.424 147 N N 2.889 121.631 118.700 0.070 0.000 2.479 147 N HA 0.211 4.950 4.740 -0.001 0.000 0.261 147 N C -1.669 173.826 175.510 -0.026 0.000 0.979 147 N CA -0.651 52.383 53.050 -0.027 0.000 0.930 147 N CB 0.950 39.279 38.487 -0.263 0.000 1.172 147 N HN 0.573 nan 8.380 nan 0.000 0.499 148 Y N 6.230 126.486 120.300 -0.073 0.000 2.359 148 Y HA 0.329 4.879 4.550 -0.001 0.000 0.334 148 Y C -0.765 174.959 175.900 -0.294 0.000 1.058 148 Y CA -0.594 57.432 58.100 -0.123 0.000 1.244 148 Y CB 0.466 38.926 38.460 0.000 0.000 1.187 148 Y HN 0.362 nan 8.280 nan 0.000 0.510 149 I N 6.748 126.683 120.570 -1.058 0.000 2.330 149 I HA 0.108 4.278 4.170 -0.001 0.000 0.286 149 I C -0.209 175.179 176.117 -1.214 0.000 1.025 149 I CA -0.640 59.961 61.300 -1.165 0.000 1.197 149 I CB 0.890 37.952 38.000 -1.563 0.000 1.358 149 I HN 0.617 nan 8.210 nan 0.000 0.467 150 D N 6.012 125.792 120.400 -1.034 0.000 2.551 150 D HA 0.002 4.642 4.640 -0.001 0.000 0.223 150 D C 1.047 177.149 176.300 -0.330 0.000 1.144 150 D CA -0.086 53.539 54.000 -0.626 0.000 1.025 150 D CB 0.403 41.015 40.800 -0.314 0.000 1.085 150 D HN 0.447 nan 8.370 nan 0.000 0.506 151 D N 0.571 120.815 120.400 -0.259 0.000 2.363 151 D HA -0.118 4.522 4.640 -0.001 0.000 0.226 151 D C 1.013 177.308 176.300 -0.007 0.000 1.020 151 D CA 0.330 54.290 54.000 -0.067 0.000 0.892 151 D CB -0.229 40.684 40.800 0.187 0.000 0.900 151 D HN 0.315 nan 8.370 nan 0.000 0.531 152 T N -3.618 110.916 114.554 -0.033 0.000 3.132 152 T HA 0.406 4.755 4.350 -0.001 0.000 0.274 152 T C 0.942 175.644 174.700 0.002 0.000 1.011 152 T CA -0.349 61.745 62.100 -0.010 0.000 0.899 152 T CB 0.276 69.131 68.868 -0.022 0.000 1.089 152 T HN 0.089 nan 8.240 nan 0.000 0.543 153 G N 0.879 109.679 108.800 0.000 0.000 2.503 153 G HA2 0.355 4.315 3.960 -0.001 0.000 0.257 153 G HA3 0.355 4.315 3.960 -0.001 0.000 0.257 153 G C 0.689 175.627 174.900 0.064 0.000 1.214 153 G CA -0.850 44.272 45.100 0.037 0.000 0.839 153 G HN 0.351 nan 8.290 nan 0.000 0.559 154 R N 0.049 120.605 120.500 0.092 0.000 2.127 154 R HA -0.128 4.212 4.340 -0.001 0.000 0.238 154 R C 2.261 178.653 176.300 0.152 0.000 1.134 154 R CA 1.528 57.695 56.100 0.112 0.000 0.975 154 R CB -0.076 30.297 30.300 0.122 0.000 0.865 154 R HN 0.554 nan 8.270 nan 0.000 0.447 155 Q N 0.019 119.905 119.800 0.143 0.000 2.084 155 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 155 Q C 2.026 178.108 176.000 0.136 0.000 0.978 155 Q CA 1.791 57.692 55.803 0.163 0.000 0.844 155 Q CB -0.332 28.438 28.738 0.054 0.000 0.898 155 Q HN 0.471 nan 8.270 nan 0.000 0.426 156 A N 0.738 123.603 122.820 0.075 0.000 1.968 156 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 156 A C 2.299 179.956 177.584 0.122 0.000 1.169 156 A CA 1.540 53.617 52.037 0.067 0.000 0.638 156 A CB -0.512 18.503 19.000 0.025 0.000 0.812 156 A HN 0.338 nan 8.150 nan 0.000 0.446 157 A N 0.083 122.979 122.820 0.127 0.000 1.902 157 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 157 A C 1.904 179.614 177.584 0.211 0.000 1.181 157 A CA 1.555 53.676 52.037 0.141 0.000 0.623 157 A CB -0.495 18.564 19.000 0.098 0.000 0.818 157 A HN 0.620 nan 8.150 nan 0.000 0.443 158 E N -0.555 119.798 120.200 0.255 0.000 2.077 158 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 158 E C 2.285 179.121 176.600 0.393 0.000 0.989 158 E CA 1.757 58.365 56.400 0.345 0.000 0.800 158 E CB -0.378 29.583 29.700 0.435 0.000 0.746 158 E HN 0.862 nan 8.360 nan 0.000 0.452 159 T N -0.204 114.570 114.554 0.366 0.000 2.812 159 T HA -0.060 4.290 4.350 -0.001 0.000 0.264 159 T C 2.093 176.902 174.700 0.182 0.000 1.042 159 T CA 0.533 62.806 62.100 0.287 0.000 1.140 159 T CB -0.399 68.584 68.868 0.192 0.000 0.870 159 T HN 0.043 nan 8.240 nan 0.000 0.445 160 L N -0.465 120.864 121.223 0.178 0.000 2.083 160 L HA 0.082 4.421 4.340 -0.001 0.000 0.209 160 L C 2.507 179.473 176.870 0.159 0.000 1.083 160 L CA 1.541 56.470 54.840 0.148 0.000 0.752 160 L CB -0.705 41.441 42.059 0.145 0.000 0.899 160 L HN 0.236 nan 8.230 nan 0.000 0.433 161 F N 1.099 121.095 119.950 0.077 0.000 2.113 161 F HA -0.172 4.355 4.527 -0.001 0.000 0.297 161 F C 2.463 178.299 175.800 0.059 0.000 1.103 161 F CA 1.179 59.208 58.000 0.047 0.000 1.248 161 F CB -0.379 38.627 39.000 0.010 0.000 0.999 161 F HN -0.026 nan 8.300 nan 0.000 0.475 162 A N 1.003 123.807 122.820 -0.028 0.000 1.908 162 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 162 A C 2.338 179.938 177.584 0.026 0.000 1.181 162 A CA 1.972 54.008 52.037 -0.001 0.000 0.627 162 A CB -1.338 17.833 19.000 0.285 0.000 0.818 162 A HN 0.529 nan 8.150 nan 0.000 0.445 163 L N -1.425 119.799 121.223 0.001 0.000 2.079 163 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 163 L C 2.855 179.725 176.870 -0.000 0.000 1.081 163 L CA 1.915 56.746 54.840 -0.014 0.000 0.752 163 L CB -0.398 41.649 42.059 -0.019 0.000 0.896 163 L HN 0.449 nan 8.230 nan 0.000 0.433 164 R N -1.274 119.184 120.500 -0.071 0.000 2.055 164 R HA -0.148 4.192 4.340 -0.001 0.000 0.226 164 R C 2.560 178.744 176.300 -0.194 0.000 1.135 164 R CA 0.935 56.984 56.100 -0.084 0.000 0.959 164 R CB -0.319 29.945 30.300 -0.060 0.000 0.854 164 R HN 0.379 nan 8.270 nan 0.000 0.431 165 H N -0.552 118.170 119.070 -0.579 0.000 2.353 165 H HA -0.202 4.353 4.556 -0.001 0.000 0.298 165 H C 0.859 175.846 175.328 -0.569 0.000 1.103 165 H CA 2.050 57.644 56.048 -0.756 0.000 1.293 165 H CB 0.022 28.911 29.762 -1.456 0.000 1.372 165 H HN 0.341 nan 8.280 nan 0.000 0.501 166 Y N -0.252 119.919 120.300 -0.216 0.000 2.490 166 Y HA 0.156 4.706 4.550 -0.001 0.000 0.281 166 Y C 1.675 177.513 175.900 -0.102 0.000 1.174 166 Y CA 0.125 58.123 58.100 -0.170 0.000 1.295 166 Y CB 0.433 38.851 38.460 -0.070 0.000 1.062 166 Y HN 0.359 nan 8.280 nan 0.000 0.522 167 G N 1.760 110.561 108.800 0.003 0.000 2.371 167 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.299 167 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.299 167 G C -0.349 174.619 174.900 0.113 0.000 1.014 167 G CA -0.068 45.056 45.100 0.039 0.000 1.097 167 G HN 0.314 nan 8.290 nan 0.000 0.512 168 L N 0.305 121.626 121.223 0.165 0.000 2.312 168 L HA 0.611 4.951 4.340 -0.001 0.000 0.281 168 L C 0.530 177.639 176.870 0.398 0.000 1.070 168 L CA -0.543 54.458 54.840 0.268 0.000 0.805 168 L CB 1.691 43.887 42.059 0.228 0.000 1.174 168 L HN 0.178 nan 8.230 nan 0.000 0.434 169 T N 0.400 115.176 114.554 0.370 0.000 2.841 169 T HA 0.195 4.544 4.350 -0.001 0.000 0.283 169 T C -0.834 173.900 174.700 0.057 0.000 1.000 169 T CA -0.459 61.806 62.100 0.276 0.000 0.977 169 T CB 1.215 70.166 68.868 0.138 0.000 0.979 169 T HN 0.441 nan 8.240 nan 0.000 0.446 170 W N 4.825 125.896 121.300 -0.382 0.000 2.308 170 W HA 0.191 4.851 4.660 0.000 0.000 0.324 170 W C 0.782 177.070 176.519 -0.385 0.000 1.387 170 W CA -0.891 55.925 57.345 -0.882 0.000 1.250 170 W CB 0.353 29.509 29.460 -0.508 0.000 1.257 170 W HN 0.795 nan 8.180 nan 0.000 0.554 171 D N 3.022 123.002 120.400 -0.699 0.000 2.363 171 D HA 0.025 4.664 4.640 -0.001 0.000 0.226 171 D C 1.745 177.493 176.300 -0.921 0.000 1.020 171 D CA 0.798 54.441 54.000 -0.594 0.000 0.892 171 D CB -0.406 40.190 40.800 -0.341 0.000 0.900 171 D HN 0.774 nan 8.370 nan 0.000 0.531 172 G N 0.260 107.847 108.800 -2.020 0.000 2.184 172 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.264 172 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.264 172 G C 1.127 175.420 174.900 -1.011 0.000 0.975 172 G CA 0.708 44.543 45.100 -2.108 0.000 0.642 172 G HN 0.504 nan 8.290 nan 0.000 0.536 173 K N -0.201 119.849 120.400 -0.583 0.000 2.424 173 K HA 0.184 4.503 4.320 -0.001 0.000 0.200 173 K C 0.969 177.627 176.600 0.097 0.000 1.279 173 K CA 0.088 56.293 56.287 -0.137 0.000 0.918 173 K CB 0.602 33.021 32.500 -0.135 0.000 1.287 173 K HN 0.420 nan 8.250 nan 0.000 0.502 174 E N 3.096 123.375 120.200 0.132 0.000 2.414 174 E HA -0.063 4.286 4.350 -0.001 0.000 0.263 174 E C -0.609 176.253 176.600 0.437 0.000 1.000 174 E CA -0.011 56.537 56.400 0.246 0.000 0.914 174 E CB 0.618 30.457 29.700 0.232 0.000 0.948 174 E HN -0.072 nan 8.360 nan 0.000 0.444 175 K N 4.247 124.818 120.400 0.285 0.000 2.466 175 K HA -0.145 4.174 4.320 -0.001 0.000 0.278 175 K C 0.401 177.224 176.600 0.373 0.000 1.048 175 K CA 0.132 56.610 56.287 0.320 0.000 1.088 175 K CB 0.214 32.864 32.500 0.251 0.000 0.884 175 K HN 0.590 nan 8.250 nan 0.000 0.478 176 Y N 3.844 124.235 120.300 0.151 0.000 2.139 176 Y HA -0.355 4.194 4.550 -0.001 0.000 0.282 176 Y C 1.779 177.755 175.900 0.127 0.000 1.179 176 Y CA 2.574 60.661 58.100 -0.021 0.000 1.161 176 Y CB 0.109 38.367 38.460 -0.336 0.000 0.970 176 Y HN 0.884 nan 8.280 nan 0.000 0.511 177 D N -2.219 118.308 120.400 0.212 0.000 2.312 177 D HA -0.165 4.474 4.640 -0.001 0.000 0.211 177 D C 1.446 177.736 176.300 -0.016 0.000 0.964 177 D CA 1.486 55.528 54.000 0.070 0.000 0.877 177 D CB -0.880 39.942 40.800 0.038 0.000 0.924 177 D HN 0.471 nan 8.370 nan 0.000 0.515 178 H N -0.902 118.213 119.070 0.076 0.000 2.403 178 H HA 0.097 4.653 4.556 -0.001 0.000 0.298 178 H C 1.444 176.828 175.328 0.093 0.000 1.059 178 H CA 1.152 57.251 56.048 0.085 0.000 1.363 178 H CB -0.317 29.515 29.762 0.118 0.000 1.410 178 H HN 0.130 nan 8.280 nan 0.000 0.528 179 F N 1.313 121.290 119.950 0.045 0.000 2.102 179 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 179 F C 2.349 178.083 175.800 -0.109 0.000 1.105 179 F CA 1.266 59.243 58.000 -0.039 0.000 1.239 179 F CB -0.704 38.219 39.000 -0.127 0.000 0.991 179 F HN 0.117 nan 8.300 nan 0.000 0.474 180 A N 0.423 123.011 122.820 -0.386 0.000 1.902 180 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 180 A C 2.514 179.993 177.584 -0.176 0.000 1.181 180 A CA 1.560 53.363 52.037 -0.390 0.000 0.623 180 A CB -1.815 17.053 19.000 -0.220 0.000 0.818 180 A HN 0.522 nan 8.150 nan 0.000 0.443 181 G N -0.809 107.930 108.800 -0.102 0.000 2.422 181 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.218 181 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.218 181 G C 1.747 176.669 174.900 0.036 0.000 1.146 181 G CA 1.029 46.113 45.100 -0.028 0.000 0.769 181 G HN 0.528 nan 8.290 nan 0.000 0.547 182 R N 0.259 120.753 120.500 -0.009 0.000 2.081 182 R HA 0.041 4.381 4.340 -0.001 0.000 0.235 182 R C 3.006 179.277 176.300 -0.047 0.000 1.131 182 R CA 1.388 57.486 56.100 -0.003 0.000 0.960 182 R CB -0.315 29.998 30.300 0.021 0.000 0.856 182 R HN 0.323 nan 8.270 nan 0.000 0.436 183 A N -0.309 122.441 122.820 -0.118 0.000 1.902 183 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 183 A C 2.003 179.627 177.584 0.066 0.000 1.181 183 A CA 1.441 53.429 52.037 -0.081 0.000 0.623 183 A CB -0.881 18.025 19.000 -0.156 0.000 0.818 183 A HN 0.552 nan 8.150 nan 0.000 0.443 184 Y N 0.585 120.882 120.300 -0.005 0.000 2.128 184 Y HA -0.202 4.348 4.550 -0.001 0.000 0.284 184 Y C 2.345 178.309 175.900 0.107 0.000 1.154 184 Y CA 2.066 60.220 58.100 0.090 0.000 1.149 184 Y CB -0.312 38.173 38.460 0.042 0.000 0.976 184 Y HN 0.067 nan 8.280 nan 0.000 0.505 185 V N 1.007 121.007 119.914 0.144 0.000 2.407 185 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 185 V C 2.593 178.660 176.094 -0.045 0.000 1.055 185 V CA 2.206 64.530 62.300 0.041 0.000 1.049 185 V CB -0.675 31.183 31.823 0.058 0.000 0.662 185 V HN 0.362 nan 8.190 nan 0.000 0.455 186 R N -0.400 120.041 120.500 -0.098 0.000 2.081 186 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 186 R C 2.333 178.557 176.300 -0.126 0.000 1.131 186 R CA 1.773 57.743 56.100 -0.217 0.000 0.960 186 R CB -0.461 29.526 30.300 -0.520 0.000 0.856 186 R HN 0.447 nan 8.270 nan 0.000 0.436 187 L N 0.554 121.792 121.223 0.026 0.000 2.013 187 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 187 L C 1.636 178.466 176.870 -0.067 0.000 1.073 187 L CA 2.064 57.029 54.840 0.209 0.000 0.753 187 L CB -0.643 41.555 42.059 0.232 0.000 0.890 187 L HN 0.229 nan 8.230 nan 0.000 0.432 188 H N -1.284 117.601 119.070 -0.309 0.000 2.559 188 H HA 0.054 4.610 4.556 -0.001 0.000 0.273 188 H C 1.658 176.812 175.328 -0.291 0.000 1.000 188 H CA 0.901 56.641 56.048 -0.514 0.000 1.195 188 H CB 0.132 29.550 29.762 -0.574 0.000 1.368 188 H HN 0.558 nan 8.280 nan 0.000 0.592 189 Q N -0.476 119.281 119.800 -0.071 0.000 2.281 189 Q HA 0.010 4.349 4.340 -0.001 0.000 0.215 189 Q C 0.006 176.006 176.000 0.001 0.000 0.867 189 Q CA -0.185 55.596 55.803 -0.036 0.000 0.940 189 Q CB 0.947 29.665 28.738 -0.033 0.000 1.111 189 Q HN 0.314 nan 8.270 nan 0.000 0.513 190 D N 1.548 121.973 120.400 0.040 0.000 2.417 190 D HA 0.008 4.647 4.640 -0.001 0.000 0.250 190 D C -1.750 174.620 176.300 0.116 0.000 1.166 190 D CA -1.598 52.476 54.000 0.125 0.000 0.881 190 D CB 1.475 42.431 40.800 0.261 0.000 1.164 190 D HN -0.067 nan 8.370 nan 0.000 0.467 191 P HA -0.130 nan 4.420 nan 0.000 0.217 191 P C 0.333 177.687 177.300 0.091 0.000 1.148 191 P CA 1.068 64.216 63.100 0.079 0.000 0.828 191 P CB 0.094 31.833 31.700 0.065 0.000 0.783 192 E N -1.979 118.285 120.200 0.107 0.000 2.511 192 E HA -0.006 4.344 4.350 -0.001 0.000 0.214 192 E C 0.872 177.513 176.600 0.069 0.000 1.062 192 E CA -0.561 55.885 56.400 0.077 0.000 1.213 192 E CB -0.766 28.974 29.700 0.066 0.000 1.214 192 E HN 0.204 nan 8.360 nan 0.000 0.441 193 Y N 2.266 122.548 120.300 -0.031 0.000 2.165 193 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 193 Y C 1.928 177.762 175.900 -0.110 0.000 1.155 193 Y CA 2.022 60.068 58.100 -0.089 0.000 1.164 193 Y CB 0.197 38.575 38.460 -0.136 0.000 0.978 193 Y HN 0.056 nan 8.280 nan 0.000 0.513 194 E N 0.402 120.486 120.200 -0.194 0.000 2.077 194 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 194 E C 2.316 178.767 176.600 -0.248 0.000 0.989 194 E CA 1.408 57.646 56.400 -0.271 0.000 0.800 194 E CB -0.537 29.108 29.700 -0.093 0.000 0.746 194 E HN 0.510 nan 8.360 nan 0.000 0.452 195 R N 0.729 121.138 120.500 -0.151 0.000 2.241 195 R HA -0.058 4.282 4.340 -0.001 0.000 0.224 195 R C 2.063 178.259 176.300 -0.173 0.000 1.101 195 R CA 0.562 56.588 56.100 -0.123 0.000 0.995 195 R CB -0.094 30.172 30.300 -0.057 0.000 0.870 195 R HN 0.133 nan 8.270 nan 0.000 0.463 196 L N 0.443 121.514 121.223 -0.253 0.000 2.558 196 L HA -0.003 4.336 4.340 -0.001 0.000 0.225 196 L C 1.977 178.560 176.870 -0.478 0.000 1.128 196 L CA -0.058 54.583 54.840 -0.331 0.000 0.868 196 L CB -0.113 41.765 42.059 -0.301 0.000 1.006 196 L HN 0.124 nan 8.230 nan 0.000 0.454 197 Q N 0.365 119.897 119.800 -0.447 0.000 2.112 197 Q HA -0.187 4.153 4.340 -0.001 0.000 0.206 197 Q C -0.241 175.557 176.000 -0.336 0.000 0.987 197 Q CA 1.837 57.390 55.803 -0.415 0.000 0.858 197 Q CB -1.666 26.874 28.738 -0.329 0.000 0.905 197 Q HN 0.395 nan 8.270 nan 0.000 0.420 198 P HA -0.117 nan 4.420 nan 0.000 0.215 198 P C 1.067 178.225 177.300 -0.236 0.000 1.153 198 P CA 2.081 65.060 63.100 -0.201 0.000 0.853 198 P CB -0.201 31.412 31.700 -0.146 0.000 0.788 199 A N -0.858 121.775 122.820 -0.312 0.000 1.933 199 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 199 A C 2.201 179.440 177.584 -0.576 0.000 1.175 199 A CA 1.359 53.191 52.037 -0.342 0.000 0.628 199 A CB -1.603 17.228 19.000 -0.282 0.000 0.814 199 A HN 0.114 nan 8.150 nan 0.000 0.444 200 I N -0.242 119.823 120.570 -0.842 0.000 2.315 200 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 200 I C 2.283 178.228 176.117 -0.286 0.000 1.117 200 I CA 1.081 61.956 61.300 -0.710 0.000 1.404 200 I CB -0.310 37.324 38.000 -0.610 0.000 1.071 200 I HN 0.309 nan 8.210 nan 0.000 0.419 201 E N 0.842 120.905 120.200 -0.228 0.000 2.153 201 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 201 E C 1.953 178.524 176.600 -0.048 0.000 0.988 201 E CA 1.152 57.486 56.400 -0.110 0.000 0.811 201 E CB -0.240 29.395 29.700 -0.109 0.000 0.746 201 E HN 0.588 nan 8.360 nan 0.000 0.466 202 E N 0.338 120.498 120.200 -0.067 0.000 2.110 202 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 202 E C 2.181 178.823 176.600 0.069 0.000 0.988 202 E CA 0.945 57.348 56.400 0.006 0.000 0.804 202 E CB 0.119 29.816 29.700 -0.004 0.000 0.745 202 E HN 0.035 nan 8.360 nan 0.000 0.458 203 V N 1.562 121.504 119.914 0.047 0.000 2.453 203 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 203 V C 2.261 178.400 176.094 0.075 0.000 1.048 203 V CA 1.025 63.380 62.300 0.091 0.000 1.049 203 V CB -0.295 31.616 31.823 0.147 0.000 0.672 203 V HN 0.326 nan 8.190 nan 0.000 0.457 204 L N -0.323 120.932 121.223 0.053 0.000 2.046 204 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 204 L C 2.620 179.533 176.870 0.071 0.000 1.077 204 L CA 2.092 56.964 54.840 0.054 0.000 0.747 204 L CB -0.619 41.461 42.059 0.036 0.000 0.896 204 L HN 0.519 nan 8.230 nan 0.000 0.432 205 H N -0.359 118.707 119.070 -0.007 0.000 2.321 205 H HA -0.176 4.380 4.556 -0.001 0.000 0.300 205 H C 2.003 177.332 175.328 0.001 0.000 1.087 205 H CA 1.561 57.605 56.048 -0.007 0.000 1.319 205 H CB 0.347 30.101 29.762 -0.012 0.000 1.379 205 H HN 0.447 nan 8.280 nan 0.000 0.501 206 A N 1.063 123.874 122.820 -0.015 0.000 1.930 206 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 206 A C 2.494 180.040 177.584 -0.064 0.000 1.175 206 A CA 1.177 53.174 52.037 -0.067 0.000 0.627 206 A CB -0.720 18.296 19.000 0.026 0.000 0.815 206 A HN 0.426 nan 8.150 nan 0.000 0.443 207 L N 0.156 121.369 121.223 -0.016 0.000 2.017 207 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 207 L C 2.183 179.031 176.870 -0.036 0.000 1.073 207 L CA 2.345 57.182 54.840 -0.004 0.000 0.745 207 L CB -0.573 41.503 42.059 0.028 0.000 0.894 207 L HN 0.504 nan 8.230 nan 0.000 0.432 208 E N -0.701 119.465 120.200 -0.057 0.000 2.204 208 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 208 E C 1.949 178.482 176.600 -0.111 0.000 0.990 208 E CA 0.864 57.220 56.400 -0.073 0.000 0.821 208 E CB -0.071 29.593 29.700 -0.060 0.000 0.750 208 E HN 0.506 nan 8.360 nan 0.000 0.477 209 R N -0.425 119.975 120.500 -0.166 0.000 2.313 209 R HA 0.055 4.395 4.340 -0.001 0.000 0.199 209 R C 1.107 177.346 176.300 -0.102 0.000 0.958 209 R CA 0.485 56.488 56.100 -0.162 0.000 1.047 209 R CB 0.302 30.467 30.300 -0.225 0.000 0.955 209 R HN 0.188 nan 8.270 nan 0.000 0.481 210 G N 1.547 110.300 108.800 -0.078 0.000 2.147 210 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.244 210 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.244 210 G C 0.353 175.218 174.900 -0.058 0.000 1.005 210 G CA 0.310 45.373 45.100 -0.062 0.000 0.713 210 G HN 0.465 nan 8.290 nan 0.000 0.515 211 E N -0.963 119.207 120.200 -0.050 0.000 2.479 211 E HA 0.245 4.594 4.350 -0.001 0.000 0.193 211 E C 1.223 177.815 176.600 -0.014 0.000 1.049 211 E CA -0.058 56.320 56.400 -0.036 0.000 0.870 211 E CB 0.185 29.864 29.700 -0.034 0.000 0.944 211 E HN 0.355 nan 8.360 nan 0.000 0.492 212 L N 0.265 121.487 121.223 -0.002 0.000 3.289 212 L HA 0.235 4.575 4.340 -0.001 0.000 0.291 212 L C 1.494 178.382 176.870 0.031 0.000 1.279 212 L CA 0.253 55.106 54.840 0.023 0.000 1.025 212 L CB -0.151 41.936 42.059 0.046 0.000 1.413 212 L HN 0.073 nan 8.230 nan 0.000 0.593 213 R N 0.693 121.193 120.500 -0.001 0.000 2.081 213 R HA -0.150 4.190 4.340 -0.001 0.000 0.235 213 R C 1.544 177.849 176.300 0.009 0.000 1.131 213 R CA 1.435 57.535 56.100 -0.000 0.000 0.960 213 R CB 0.502 30.719 30.300 -0.138 0.000 0.856 213 R HN 0.258 nan 8.270 nan 0.000 0.436 214 E N 0.783 120.966 120.200 -0.028 0.000 2.085 214 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 214 E C 1.883 178.490 176.600 0.012 0.000 0.994 214 E CA 1.411 57.797 56.400 -0.024 0.000 0.801 214 E CB -0.192 29.485 29.700 -0.039 0.000 0.743 214 E HN 0.417 nan 8.360 nan 0.000 0.453 215 E N 0.323 120.544 120.200 0.036 0.000 2.110 215 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 215 E C 2.195 178.853 176.600 0.096 0.000 0.988 215 E CA 0.772 57.211 56.400 0.066 0.000 0.804 215 E CB -0.184 29.570 29.700 0.089 0.000 0.745 215 E HN 0.028 nan 8.360 nan 0.000 0.458 216 V N 1.337 121.322 119.914 0.118 0.000 2.379 216 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 216 V C 2.159 178.358 176.094 0.175 0.000 1.044 216 V CA 1.723 64.110 62.300 0.145 0.000 1.036 216 V CB -0.584 31.351 31.823 0.186 0.000 0.664 216 V HN 0.405 nan 8.190 nan 0.000 0.453 217 N N 0.189 119.035 118.700 0.242 0.000 2.205 217 N HA -0.225 4.515 4.740 -0.001 0.000 0.186 217 N C 2.071 177.651 175.510 0.116 0.000 1.015 217 N CA 1.300 54.530 53.050 0.300 0.000 0.862 217 N CB 0.012 38.636 38.487 0.229 0.000 0.986 217 N HN 0.467 nan 8.380 nan 0.000 0.429 218 R N 0.373 120.858 120.500 -0.026 0.000 2.081 218 R HA -0.062 4.278 4.340 -0.001 0.000 0.235 218 R C 2.336 178.551 176.300 -0.142 0.000 1.131 218 R CA 1.115 57.058 56.100 -0.261 0.000 0.960 218 R CB -0.209 29.719 30.300 -0.620 0.000 0.856 218 R HN 0.348 nan 8.270 nan 0.000 0.436 219 I N 0.557 121.176 120.570 0.082 0.000 2.252 219 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 219 I C 2.362 178.527 176.117 0.080 0.000 1.102 219 I CA 0.702 62.117 61.300 0.191 0.000 1.385 219 I CB -0.284 37.806 38.000 0.150 0.000 1.064 219 I HN 0.133 nan 8.210 nan 0.000 0.414 220 L N 1.074 122.324 121.223 0.045 0.000 2.042 220 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 220 L C 2.297 179.212 176.870 0.074 0.000 1.076 220 L CA 1.816 56.657 54.840 0.001 0.000 0.749 220 L CB -0.552 41.489 42.059 -0.030 0.000 0.893 220 L HN 0.137 nan 8.230 nan 0.000 0.432 221 L N -0.619 120.688 121.223 0.140 0.000 2.079 221 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 221 L C 2.632 179.608 176.870 0.176 0.000 1.081 221 L CA 1.275 56.234 54.840 0.199 0.000 0.752 221 L CB -0.863 41.276 42.059 0.133 0.000 0.896 221 L HN 0.421 nan 8.230 nan 0.000 0.433 222 A N -0.773 122.120 122.820 0.122 0.000 1.929 222 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 222 A C 2.190 179.819 177.584 0.074 0.000 1.176 222 A CA 1.119 53.238 52.037 0.136 0.000 0.628 222 A CB -0.321 18.792 19.000 0.188 0.000 0.816 222 A HN 0.460 nan 8.150 nan 0.000 0.444 223 Q N -1.306 118.510 119.800 0.027 0.000 2.119 223 Q HA -0.098 4.242 4.340 -0.001 0.000 0.201 223 Q C 2.076 178.037 176.000 -0.064 0.000 0.972 223 Q CA 1.499 57.282 55.803 -0.034 0.000 0.847 223 Q CB -0.247 28.434 28.738 -0.095 0.000 0.903 223 Q HN 0.756 nan 8.270 nan 0.000 0.433 224 M N 0.084 119.642 119.600 -0.070 0.000 2.358 224 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 224 M C 1.916 177.960 176.300 -0.426 0.000 1.064 224 M CA 1.181 56.402 55.300 -0.131 0.000 1.093 224 M CB 0.028 32.648 32.600 0.033 0.000 1.401 224 M HN 0.233 nan 8.290 nan 0.000 0.440 225 A N -0.613 121.933 122.820 -0.457 0.000 1.930 225 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 225 A C 2.020 179.507 177.584 -0.163 0.000 1.175 225 A CA 2.092 53.806 52.037 -0.539 0.000 0.627 225 A CB -1.033 17.930 19.000 -0.062 0.000 0.815 225 A HN 0.528 nan 8.150 nan 0.000 0.443 226 T N 0.061 114.581 114.554 -0.056 0.000 2.812 226 T HA -0.099 4.250 4.350 -0.001 0.000 0.264 226 T C 1.948 176.669 174.700 0.035 0.000 1.042 226 T CA 1.675 63.785 62.100 0.016 0.000 1.140 226 T CB -0.305 68.583 68.868 0.033 0.000 0.870 226 T HN 0.442 nan 8.240 nan 0.000 0.445 227 M N 0.414 120.045 119.600 0.052 0.000 2.108 227 M HA -0.137 4.342 4.480 -0.001 0.000 0.261 227 M C 2.313 178.761 176.300 0.248 0.000 1.066 227 M CA 1.756 57.169 55.300 0.188 0.000 1.107 227 M CB -0.455 32.304 32.600 0.265 0.000 1.356 227 M HN 0.298 nan 8.290 nan 0.000 0.406 228 H N 0.305 119.419 119.070 0.073 0.000 2.353 228 H HA -0.031 4.524 4.556 -0.001 0.000 0.300 228 H C 1.903 177.249 175.328 0.030 0.000 1.090 228 H CA 2.073 58.138 56.048 0.029 0.000 1.327 228 H CB -0.015 29.588 29.762 -0.264 0.000 1.383 228 H HN 0.327 nan 8.280 nan 0.000 0.508 229 A N 0.193 123.005 122.820 -0.013 0.000 2.067 229 A HA -0.018 4.302 4.320 -0.001 0.000 0.219 229 A C 2.118 179.676 177.584 -0.043 0.000 1.158 229 A CA 1.055 53.071 52.037 -0.036 0.000 0.661 229 A CB -0.547 18.475 19.000 0.037 0.000 0.801 229 A HN 0.492 nan 8.150 nan 0.000 0.452 230 L N -1.075 120.140 121.223 -0.015 0.000 2.591 230 L HA 0.049 4.388 4.340 -0.001 0.000 0.228 230 L C 0.822 177.675 176.870 -0.028 0.000 1.133 230 L CA 0.285 55.117 54.840 -0.014 0.000 0.880 230 L CB -0.381 41.681 42.059 0.005 0.000 1.033 230 L HN 0.534 nan 8.230 nan 0.000 0.450 231 N N 0.432 119.097 118.700 -0.058 0.000 2.754 231 N HA -0.184 4.556 4.740 -0.001 0.000 0.248 231 N C -0.214 175.297 175.510 0.001 0.000 1.093 231 N CA 0.715 53.729 53.050 -0.059 0.000 0.699 231 N CB -0.628 37.826 38.487 -0.056 0.000 1.016 231 N HN 0.398 nan 8.380 nan 0.000 0.552 232 A N 0.505 123.360 122.820 0.059 0.000 2.304 232 A HA 0.788 5.107 4.320 -0.001 0.000 0.301 232 A C 0.254 177.839 177.584 0.001 0.000 1.132 232 A CA -0.423 51.607 52.037 -0.012 0.000 0.819 232 A CB 0.780 19.786 19.000 0.010 0.000 1.094 232 A HN 0.383 nan 8.150 nan 0.000 0.492 233 R N 0.260 120.615 120.500 -0.240 0.000 2.711 233 R HA 0.635 4.974 4.340 -0.001 0.000 0.284 233 R C -1.879 174.023 176.300 -0.663 0.000 0.968 233 R CA -0.433 55.542 56.100 -0.208 0.000 0.924 233 R CB 1.509 31.797 30.300 -0.021 0.000 1.162 233 R HN 0.700 nan 8.270 nan 0.000 0.465 234 Y N -0.132 119.975 120.300 -0.321 0.000 2.492 234 Y HA 0.249 4.798 4.550 -0.001 0.000 0.346 234 Y C 0.306 176.091 175.900 -0.193 0.000 0.997 234 Y CA -0.846 57.072 58.100 -0.302 0.000 1.025 234 Y CB 2.221 40.421 38.460 -0.433 0.000 1.263 234 Y HN 0.572 nan 8.280 nan 0.000 0.454 235 D N 1.399 121.822 120.400 0.038 0.000 2.525 235 D HA 0.211 4.850 4.640 -0.001 0.000 0.248 235 D C -0.193 176.138 176.300 0.052 0.000 1.000 235 D CA 0.886 54.906 54.000 0.033 0.000 0.923 235 D CB 0.996 41.801 40.800 0.008 0.000 1.101 235 D HN 0.311 nan 8.370 nan 0.000 0.493 236 L N 0.851 122.122 121.223 0.080 0.000 2.354 236 L HA 0.449 4.788 4.340 -0.001 0.000 0.264 236 L C -1.206 175.751 176.870 0.145 0.000 1.008 236 L CA -0.869 54.057 54.840 0.145 0.000 0.819 236 L CB 2.587 44.755 42.059 0.182 0.000 1.339 236 L HN -0.209 nan 8.230 nan 0.000 0.420 237 L N 2.148 123.489 121.223 0.196 0.000 2.362 237 L HA 0.668 5.007 4.340 -0.001 0.000 0.275 237 L C -0.750 176.262 176.870 0.236 0.000 0.998 237 L CA -0.357 54.516 54.840 0.056 0.000 0.820 237 L CB 2.150 44.151 42.059 -0.098 0.000 1.270 237 L HN 0.207 nan 8.230 nan 0.000 0.415 238 V N 2.718 122.705 119.914 0.122 0.000 2.483 238 V HA 0.404 4.523 4.120 -0.001 0.000 0.297 238 V C -1.144 174.917 176.094 -0.055 0.000 1.027 238 V CA -0.697 61.691 62.300 0.147 0.000 0.855 238 V CB 1.603 33.570 31.823 0.240 0.000 0.995 238 V HN 0.642 nan 8.190 nan 0.000 0.424 239 W N 2.375 123.544 121.300 -0.218 0.000 2.417 239 W HA 0.517 5.177 4.660 -0.001 0.000 0.317 239 W C 1.309 177.685 176.519 -0.238 0.000 1.121 239 W CA -0.596 56.592 57.345 -0.262 0.000 1.208 239 W CB 0.915 30.238 29.460 -0.228 0.000 1.253 239 W HN 0.689 nan 8.180 nan 0.000 0.533 240 E N 1.488 121.639 120.200 -0.082 0.000 2.097 240 E HA -0.259 4.091 4.350 -0.001 0.000 0.196 240 E C 2.087 178.663 176.600 -0.040 0.000 1.000 240 E CA 2.622 58.998 56.400 -0.040 0.000 0.804 240 E CB -0.198 29.469 29.700 -0.056 0.000 0.740 240 E HN 0.365 nan 8.360 nan 0.000 0.454 241 S N -0.110 115.592 115.700 0.004 0.000 2.399 241 S HA -0.168 4.301 4.470 -0.001 0.000 0.231 241 S C 1.561 176.122 174.600 -0.066 0.000 1.022 241 S CA 1.337 59.520 58.200 -0.028 0.000 0.983 241 S CB -0.320 62.871 63.200 -0.015 0.000 0.803 241 S HN 0.244 nan 8.310 nan 0.000 0.480 242 D N 1.501 121.861 120.400 -0.067 0.000 2.194 242 D HA 0.144 4.784 4.640 -0.001 0.000 0.204 242 D C 1.902 178.108 176.300 -0.156 0.000 0.964 242 D CA 0.692 54.612 54.000 -0.133 0.000 0.846 242 D CB -0.251 40.442 40.800 -0.179 0.000 0.962 242 D HN 0.433 nan 8.370 nan 0.000 0.490 243 I N 0.582 121.055 120.570 -0.162 0.000 2.286 243 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 243 I C 2.330 178.368 176.117 -0.131 0.000 1.115 243 I CA 0.539 61.722 61.300 -0.194 0.000 1.392 243 I CB 0.047 37.896 38.000 -0.251 0.000 1.065 243 I HN -0.119 nan 8.210 nan 0.000 0.418 244 V N 0.640 120.491 119.914 -0.106 0.000 2.307 244 V HA -0.265 3.854 4.120 -0.001 0.000 0.245 244 V C 2.595 178.648 176.094 -0.069 0.000 1.045 244 V CA 1.812 64.064 62.300 -0.081 0.000 1.024 244 V CB -0.713 31.066 31.823 -0.073 0.000 0.651 244 V HN 0.400 nan 8.190 nan 0.000 0.449 245 R N 0.282 120.736 120.500 -0.077 0.000 2.096 245 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 245 R C 2.111 178.377 176.300 -0.056 0.000 1.127 245 R CA 1.535 57.595 56.100 -0.067 0.000 0.968 245 R CB -0.375 29.877 30.300 -0.080 0.000 0.861 245 R HN 0.499 nan 8.270 nan 0.000 0.440 246 A N -0.023 122.755 122.820 -0.070 0.000 2.209 246 A HA 0.089 4.408 4.320 -0.001 0.000 0.212 246 A C 1.413 178.987 177.584 -0.016 0.000 1.158 246 A CA 0.928 52.937 52.037 -0.047 0.000 0.742 246 A CB -0.520 18.430 19.000 -0.083 0.000 0.790 246 A HN 0.577 nan 8.150 nan 0.000 0.472 247 G N -0.649 108.137 108.800 -0.024 0.000 2.225 247 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.267 247 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.267 247 G C 0.737 175.646 174.900 0.014 0.000 1.024 247 G CA 0.587 45.683 45.100 -0.006 0.000 0.784 247 G HN 0.470 nan 8.290 nan 0.000 0.507 248 L N -1.322 119.906 121.223 0.008 0.000 2.083 248 L HA -0.099 4.240 4.340 -0.001 0.000 0.209 248 L C 2.870 179.762 176.870 0.038 0.000 1.083 248 L CA 1.515 56.384 54.840 0.049 0.000 0.752 248 L CB -0.522 41.568 42.059 0.052 0.000 0.899 248 L HN 0.426 nan 8.230 nan 0.000 0.433 249 L N -0.198 121.022 121.223 -0.005 0.000 1.970 249 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 249 L C 2.709 179.581 176.870 0.005 0.000 1.071 249 L CA 1.876 56.705 54.840 -0.019 0.000 0.751 249 L CB -0.796 41.238 42.059 -0.041 0.000 0.889 249 L HN 0.222 nan 8.230 nan 0.000 0.432 250 Q N 0.054 119.860 119.800 0.011 0.000 2.096 250 Q HA -0.236 4.103 4.340 -0.001 0.000 0.204 250 Q C 2.257 178.285 176.000 0.046 0.000 0.982 250 Q CA 1.871 57.688 55.803 0.024 0.000 0.850 250 Q CB -0.356 28.394 28.738 0.019 0.000 0.901 250 Q HN 0.607 nan 8.270 nan 0.000 0.422 251 K N 0.285 120.722 120.400 0.061 0.000 2.057 251 K HA -0.070 4.250 4.320 -0.001 0.000 0.207 251 K C 2.110 178.788 176.600 0.130 0.000 1.049 251 K CA 1.189 57.530 56.287 0.091 0.000 0.931 251 K CB -0.162 32.400 32.500 0.104 0.000 0.714 251 K HN 0.148 nan 8.250 nan 0.000 0.440 252 A N 1.189 124.088 122.820 0.131 0.000 1.873 252 A HA -0.138 4.181 4.320 -0.001 0.000 0.215 252 A C 2.038 179.690 177.584 0.115 0.000 1.186 252 A CA 1.138 53.274 52.037 0.166 0.000 0.616 252 A CB -0.466 18.527 19.000 -0.012 0.000 0.823 252 A HN 0.086 nan 8.150 nan 0.000 0.442 253 L N -0.259 120.997 121.223 0.056 0.000 2.042 253 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 253 L C 2.961 179.872 176.870 0.069 0.000 1.076 253 L CA 1.977 56.845 54.840 0.046 0.000 0.749 253 L CB -1.221 40.854 42.059 0.027 0.000 0.893 253 L HN 0.418 nan 8.230 nan 0.000 0.432 254 A N -1.216 121.648 122.820 0.074 0.000 1.933 254 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 254 A C 2.241 179.878 177.584 0.089 0.000 1.175 254 A CA 1.660 53.740 52.037 0.072 0.000 0.628 254 A CB -0.742 18.296 19.000 0.063 0.000 0.814 254 A HN 0.361 nan 8.150 nan 0.000 0.444 255 L N -0.308 120.989 121.223 0.123 0.000 2.056 255 L HA -0.035 4.305 4.340 -0.001 0.000 0.207 255 L C 2.216 179.176 176.870 0.151 0.000 1.078 255 L CA 1.571 56.496 54.840 0.142 0.000 0.749 255 L CB -0.504 41.673 42.059 0.196 0.000 0.901 255 L HN 0.385 nan 8.230 nan 0.000 0.433 256 L N -0.679 120.646 121.223 0.170 0.000 2.093 256 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 256 L C 2.330 179.259 176.870 0.098 0.000 1.085 256 L CA 1.213 56.139 54.840 0.144 0.000 0.755 256 L CB -0.594 41.532 42.059 0.111 0.000 0.904 256 L HN 0.328 nan 8.230 nan 0.000 0.435 257 E N -0.189 120.060 120.200 0.082 0.000 2.463 257 E HA -0.227 4.122 4.350 -0.001 0.000 0.201 257 E C 1.952 178.594 176.600 0.071 0.000 1.045 257 E CA 0.465 56.910 56.400 0.074 0.000 0.872 257 E CB -0.030 29.709 29.700 0.065 0.000 0.797 257 E HN 0.583 nan 8.360 nan 0.000 0.538 258 Q N 0.344 120.185 119.800 0.068 0.000 2.311 258 Q HA 0.001 4.340 4.340 -0.001 0.000 0.203 258 Q C 0.933 176.959 176.000 0.042 0.000 0.954 258 Q CA 0.173 56.006 55.803 0.050 0.000 0.885 258 Q CB 0.320 29.086 28.738 0.047 0.000 0.963 258 Q HN -0.049 nan 8.270 nan 0.000 0.471 259 S N 1.022 116.759 115.700 0.061 0.000 2.548 259 S HA 0.108 4.578 4.470 -0.001 0.000 0.277 259 S C -1.623 172.992 174.600 0.025 0.000 1.315 259 S CA -1.623 56.608 58.200 0.052 0.000 1.050 259 S CB 0.842 64.105 63.200 0.105 0.000 0.918 259 S HN 0.038 nan 8.310 nan 0.000 0.497 260 P HA -0.056 nan 4.420 nan 0.000 0.226 260 P C 0.101 177.330 177.300 -0.119 0.000 1.153 260 P CA 1.160 64.161 63.100 -0.166 0.000 0.777 260 P CB -0.198 31.311 31.700 -0.320 0.000 0.794 261 H N -1.337 117.838 119.070 0.176 0.000 2.526 261 H HA 0.235 4.791 4.556 -0.001 0.000 0.274 261 H C 0.079 175.477 175.328 0.117 0.000 0.999 261 H CA -0.298 55.877 56.048 0.211 0.000 1.157 261 H CB 0.158 29.960 29.762 0.066 0.000 1.407 261 H HN -0.092 nan 8.280 nan 0.000 0.568 262 V N 2.687 122.722 119.914 0.202 0.000 2.349 262 V HA 0.302 4.421 4.120 -0.001 0.000 0.284 262 V C -0.945 175.219 176.094 0.117 0.000 1.014 262 V CA -0.666 61.642 62.300 0.014 0.000 0.826 262 V CB 0.052 31.903 31.823 0.045 0.000 1.009 262 V HN 0.317 nan 8.190 nan 0.000 0.431 263 F N 2.435 122.420 119.950 0.058 0.000 2.779 263 F HA 0.722 5.249 4.527 -0.001 0.000 0.316 263 F C -0.675 175.175 175.800 0.084 0.000 1.164 263 F CA -1.575 56.464 58.000 0.064 0.000 0.924 263 F CB 1.585 40.622 39.000 0.062 0.000 1.348 263 F HN 0.099 nan 8.300 nan 0.000 0.467 264 R N 1.267 121.968 120.500 0.334 0.000 2.239 264 R HA 0.439 4.778 4.340 -0.001 0.000 0.332 264 R C -2.809 173.690 176.300 0.331 0.000 0.988 264 R CA -1.652 54.588 56.100 0.233 0.000 0.859 264 R CB 1.239 31.630 30.300 0.152 0.000 1.148 264 R HN 0.292 nan 8.270 nan 0.000 0.482 265 P HA -0.028 nan 4.420 nan 0.000 0.267 265 P C 0.407 177.820 177.300 0.189 0.000 1.209 265 P CA -0.089 63.202 63.100 0.320 0.000 0.763 265 P CB 0.647 32.535 31.700 0.315 0.000 0.816 266 R N 2.642 123.226 120.500 0.140 0.000 2.276 266 R HA 0.091 4.430 4.340 -0.001 0.000 0.203 266 R C 0.078 176.421 176.300 0.072 0.000 1.017 266 R CA 1.033 57.188 56.100 0.091 0.000 1.010 266 R CB 0.056 30.395 30.300 0.065 0.000 0.900 266 R HN 0.485 nan 8.270 nan 0.000 0.469 267 E N -0.936 119.311 120.200 0.078 0.000 2.445 267 E HA 0.529 4.879 4.350 -0.001 0.000 0.279 267 E C -0.797 175.834 176.600 0.051 0.000 1.018 267 E CA -0.423 56.007 56.400 0.050 0.000 0.816 267 E CB 2.175 31.895 29.700 0.032 0.000 1.356 267 E HN 0.198 nan 8.360 nan 0.000 0.462 268 G N 0.924 109.732 108.800 0.013 0.000 2.549 268 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.404 268 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.404 268 G C -0.187 174.669 174.900 -0.074 0.000 1.292 268 G CA -0.079 45.008 45.100 -0.022 0.000 0.935 268 G HN 0.554 nan 8.290 nan 0.000 0.512 269 K N -1.012 119.271 120.400 -0.195 0.000 2.569 269 K HA 0.401 4.720 4.320 -0.001 0.000 0.193 269 K C 0.827 177.150 176.600 -0.462 0.000 1.026 269 K CA 1.425 57.513 56.287 -0.331 0.000 1.093 269 K CB -0.183 32.056 32.500 -0.434 0.000 0.849 269 K HN 0.641 nan 8.250 nan 0.000 0.509 270 Y N -0.324 119.959 120.300 -0.028 0.000 2.563 270 Y HA 0.409 4.958 4.550 -0.001 0.000 0.250 270 Y C 0.355 176.269 175.900 0.023 0.000 1.126 270 Y CA -0.830 57.265 58.100 -0.007 0.000 1.231 270 Y CB 0.707 39.152 38.460 -0.025 0.000 1.288 270 Y HN 0.142 nan 8.280 nan 0.000 0.537 271 A N 0.856 123.755 122.820 0.132 0.000 2.580 271 A HA 0.316 4.635 4.320 -0.001 0.000 0.244 271 A C 1.651 179.293 177.584 0.098 0.000 1.045 271 A CA 1.451 53.552 52.037 0.106 0.000 0.761 271 A CB -0.799 18.237 19.000 0.059 0.000 0.962 271 A HN 1.029 nan 8.150 nan 0.000 0.512 272 G N 1.078 109.939 108.800 0.101 0.000 2.253 272 G HA2 0.107 4.067 3.960 -0.001 0.000 0.251 272 G HA3 0.107 4.067 3.960 -0.001 0.000 0.251 272 G C 0.648 175.600 174.900 0.088 0.000 0.998 272 G CA 0.666 45.816 45.100 0.082 0.000 0.621 272 G HN 2.286 nan 8.290 nan 0.000 0.524 273 A N -0.057 122.831 122.820 0.113 0.000 2.302 273 A HA 0.789 5.108 4.320 -0.001 0.000 0.285 273 A C -0.047 177.582 177.584 0.075 0.000 1.105 273 A CA -0.086 52.015 52.037 0.106 0.000 0.816 273 A CB 1.170 20.267 19.000 0.162 0.000 1.067 273 A HN 1.420 nan 8.150 nan 0.000 0.489 274 L N 2.977 124.226 121.223 0.044 0.000 2.264 274 L HA 0.634 4.973 4.340 -0.001 0.000 0.289 274 L C -0.333 176.509 176.870 -0.047 0.000 1.044 274 L CA 0.013 54.855 54.840 0.004 0.000 0.807 274 L CB 1.116 43.185 42.059 0.017 0.000 1.192 274 L HN 0.559 nan 8.230 nan 0.000 0.425 275 V N 6.726 126.542 119.914 -0.164 0.000 3.001 275 V HA 0.587 4.707 4.120 -0.001 0.000 0.314 275 V C -0.676 175.229 176.094 -0.316 0.000 1.099 275 V CA -0.853 61.316 62.300 -0.220 0.000 0.989 275 V CB 2.193 33.849 31.823 -0.280 0.000 1.040 275 V HN 0.898 nan 8.190 nan 0.000 0.434 276 M N 4.157 123.635 119.600 -0.203 0.000 2.167 276 M HA 0.460 4.940 4.480 -0.001 0.000 0.333 276 M C -1.277 174.832 176.300 -0.318 0.000 1.030 276 M CA -0.601 54.591 55.300 -0.180 0.000 0.963 276 M CB 1.155 33.750 32.600 -0.009 0.000 1.589 276 M HN 0.814 nan 8.290 nan 0.000 0.431 277 D N 4.231 124.370 120.400 -0.435 0.000 2.365 277 D HA 0.347 4.986 4.640 -0.001 0.000 0.237 277 D C 0.472 176.592 176.300 -0.301 0.000 1.190 277 D CA 0.047 53.659 54.000 -0.648 0.000 0.867 277 D CB 1.361 41.858 40.800 -0.505 0.000 1.050 277 D HN 0.693 nan 8.370 nan 0.000 0.491 278 A N 2.930 125.617 122.820 -0.222 0.000 2.251 278 A HA -0.003 4.317 4.320 -0.001 0.000 0.209 278 A C 2.032 179.547 177.584 -0.116 0.000 1.187 278 A CA 0.705 52.701 52.037 -0.069 0.000 0.823 278 A CB -0.357 18.742 19.000 0.165 0.000 0.846 278 A HN 0.569 nan 8.150 nan 0.000 0.486 279 S N 1.324 116.921 115.700 -0.173 0.000 2.383 279 S HA -0.092 4.377 4.470 -0.001 0.000 0.229 279 S C -0.064 174.458 174.600 -0.129 0.000 1.030 279 S CA 1.317 59.447 58.200 -0.116 0.000 1.002 279 S CB -1.450 61.703 63.200 -0.078 0.000 0.829 279 S HN 0.532 nan 8.310 nan 0.000 0.467 280 P HA 0.072 nan 4.420 nan 0.000 0.234 280 P C 1.312 178.521 177.300 -0.152 0.000 1.167 280 P CA 1.105 64.061 63.100 -0.239 0.000 0.763 280 P CB -0.138 31.235 31.700 -0.545 0.000 0.835 281 V N -5.074 114.767 119.914 -0.120 0.000 3.539 281 V HA 0.367 4.487 4.120 -0.001 0.000 0.262 281 V C 0.914 176.984 176.094 -0.040 0.000 1.381 281 V CA 0.084 62.343 62.300 -0.068 0.000 1.060 281 V CB -0.037 31.753 31.823 -0.055 0.000 0.842 281 V HN -0.174 nan 8.190 nan 0.000 0.445 282 I N 4.579 125.127 120.570 -0.037 0.000 2.495 282 I HA 0.439 4.608 4.170 -0.001 0.000 0.277 282 I C -2.551 173.556 176.117 -0.017 0.000 1.045 282 I CA -1.827 59.465 61.300 -0.013 0.000 1.135 282 I CB 2.303 40.314 38.000 0.017 0.000 1.241 282 I HN 0.133 nan 8.210 nan 0.000 0.469 283 P HA 0.127 nan 4.420 nan 0.000 0.272 283 P C 0.270 177.569 177.300 -0.002 0.000 1.230 283 P CA 0.334 63.428 63.100 -0.009 0.000 0.788 283 P CB 0.930 32.625 31.700 -0.007 0.000 0.949 284 G N 1.248 110.049 108.800 0.002 0.000 2.487 284 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.243 284 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.243 284 G C -0.727 174.177 174.900 0.005 0.000 0.918 284 G CA -0.296 44.808 45.100 0.007 0.000 1.260 284 G HN 0.525 nan 8.290 nan 0.000 0.408 285 L N 1.119 122.347 121.223 0.007 0.000 2.562 285 L HA 0.323 4.663 4.340 -0.001 0.000 0.266 285 L C 1.167 178.048 176.870 0.018 0.000 0.949 285 L CA -1.039 53.802 54.840 0.001 0.000 0.879 285 L CB 1.663 43.708 42.059 -0.024 0.000 1.278 285 L HN 0.372 nan 8.230 nan 0.000 0.404 286 E N 1.574 121.785 120.200 0.017 0.000 2.049 286 E HA -0.184 4.165 4.350 -0.001 0.000 0.198 286 E C -0.011 176.620 176.600 0.053 0.000 1.007 286 E CA 1.614 58.031 56.400 0.029 0.000 0.809 286 E CB 0.375 30.087 29.700 0.020 0.000 0.749 286 E HN 0.598 nan 8.360 nan 0.000 0.450 287 D N -0.583 119.846 120.400 0.049 0.000 2.421 287 D HA 0.143 4.782 4.640 -0.001 0.000 0.254 287 D C -2.209 174.127 176.300 0.060 0.000 1.238 287 D CA -1.609 52.458 54.000 0.111 0.000 0.919 287 D CB 1.604 42.468 40.800 0.105 0.000 1.152 287 D HN 0.009 nan 8.370 nan 0.000 0.552 288 P HA 0.169 nan 4.420 nan 0.000 0.255 288 P C -0.403 176.730 177.300 -0.278 0.000 1.357 288 P CA -0.269 62.764 63.100 -0.111 0.000 0.839 288 P CB -0.342 31.305 31.700 -0.089 0.000 1.356 289 F N 0.500 120.271 119.950 -0.299 0.000 2.361 289 F HA 0.356 4.882 4.527 -0.001 0.000 0.364 289 F C 0.533 176.124 175.800 -0.349 0.000 1.120 289 F CA -1.020 56.777 58.000 -0.339 0.000 1.102 289 F CB 0.297 39.006 39.000 -0.486 0.000 1.183 289 F HN -0.234 nan 8.300 nan 0.000 0.476 290 F N 2.673 122.616 119.950 -0.012 0.000 2.411 290 F HA 0.447 4.973 4.527 -0.001 0.000 0.350 290 F C 0.136 175.963 175.800 0.044 0.000 1.114 290 F CA -0.958 57.094 58.000 0.088 0.000 1.135 290 F CB 1.022 40.055 39.000 0.054 0.000 1.120 290 F HN 0.003 nan 8.300 nan 0.000 0.495 291 V N 5.829 125.912 119.914 0.282 0.000 2.461 291 V HA 0.120 4.240 4.120 -0.001 0.000 0.275 291 V C 0.845 177.037 176.094 0.164 0.000 1.047 291 V CA -0.082 62.307 62.300 0.148 0.000 0.955 291 V CB 1.094 33.006 31.823 0.148 0.000 0.988 291 V HN 0.788 nan 8.190 nan 0.000 0.471 292 L N 4.445 125.722 121.223 0.091 0.000 2.262 292 L HA 0.336 4.676 4.340 -0.001 0.000 0.197 292 L C 0.234 177.134 176.870 0.050 0.000 1.073 292 L CA 0.703 55.584 54.840 0.070 0.000 0.800 292 L CB 0.135 42.211 42.059 0.029 0.000 0.987 292 L HN 0.384 nan 8.230 nan 0.000 0.470 293 L N 0.439 121.689 121.223 0.044 0.000 2.356 293 L HA 0.411 4.750 4.340 -0.001 0.000 0.277 293 L C -0.278 176.626 176.870 0.057 0.000 0.996 293 L CA -0.552 54.312 54.840 0.041 0.000 0.822 293 L CB 2.044 44.123 42.059 0.033 0.000 1.256 293 L HN 0.095 nan 8.230 nan 0.000 0.413 294 R N 0.642 121.176 120.500 0.057 0.000 2.707 294 R HA 0.099 4.439 4.340 -0.001 0.000 0.270 294 R C 1.364 177.700 176.300 0.060 0.000 1.083 294 R CA 0.212 56.352 56.100 0.068 0.000 1.182 294 R CB 0.702 31.036 30.300 0.057 0.000 1.084 294 R HN 0.799 nan 8.270 nan 0.000 0.528 295 S N 0.575 116.314 115.700 0.066 0.000 2.402 295 S HA -0.249 4.221 4.470 -0.001 0.000 0.233 295 S C 1.342 175.966 174.600 0.040 0.000 1.030 295 S CA 1.832 60.066 58.200 0.056 0.000 1.003 295 S CB -0.728 62.504 63.200 0.052 0.000 0.813 295 S HN 0.854 nan 8.310 nan 0.000 0.477 296 N N 0.808 119.528 118.700 0.034 0.000 2.571 296 N HA 0.207 4.947 4.740 -0.001 0.000 0.189 296 N C 1.350 176.874 175.510 0.024 0.000 1.154 296 N CA 0.438 53.503 53.050 0.025 0.000 0.907 296 N CB -0.250 38.249 38.487 0.020 0.000 0.977 296 N HN 0.615 nan 8.380 nan 0.000 0.449 297 G N -0.272 108.545 108.800 0.028 0.000 2.194 297 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.236 297 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.236 297 G C 0.095 175.007 174.900 0.019 0.000 0.987 297 G CA 0.257 45.372 45.100 0.024 0.000 0.635 297 G HN 0.399 nan 8.290 nan 0.000 0.520 298 T N 2.042 116.609 114.554 0.020 0.000 2.870 298 T HA 0.574 4.924 4.350 -0.001 0.000 0.300 298 T C 0.822 175.530 174.700 0.012 0.000 0.989 298 T CA 0.562 62.670 62.100 0.014 0.000 1.139 298 T CB 1.455 70.335 68.868 0.020 0.000 0.920 298 T HN 1.309 nan 8.240 nan 0.000 0.537 299 A N 3.409 126.224 122.820 -0.008 0.000 2.407 299 A HA 0.496 4.815 4.320 -0.001 0.000 0.248 299 A C 0.832 178.406 177.584 -0.017 0.000 1.082 299 A CA -0.357 51.669 52.037 -0.017 0.000 0.785 299 A CB 0.284 19.257 19.000 -0.046 0.000 1.020 299 A HN 0.748 nan 8.150 nan 0.000 0.489 300 T N 0.003 114.563 114.554 0.011 0.000 2.902 300 T HA 0.402 4.751 4.350 -0.001 0.000 0.280 300 T C 0.793 175.520 174.700 0.046 0.000 0.992 300 T CA -0.082 62.050 62.100 0.054 0.000 1.015 300 T CB 0.127 69.029 68.868 0.056 0.000 1.044 300 T HN 0.441 nan 8.240 nan 0.000 0.520 301 Y N 0.845 121.127 120.300 -0.029 0.000 2.352 301 Y HA -0.019 4.530 4.550 -0.001 0.000 0.292 301 Y C 2.049 178.024 175.900 0.124 0.000 1.136 301 Y CA 1.230 59.352 58.100 0.038 0.000 1.227 301 Y CB -0.541 37.989 38.460 0.117 0.000 0.991 301 Y HN 0.745 nan 8.280 nan 0.000 0.545 302 Y N -1.392 119.003 120.300 0.159 0.000 2.200 302 Y HA -0.258 4.291 4.550 -0.001 0.000 0.290 302 Y C 2.576 178.422 175.900 -0.090 0.000 1.137 302 Y CA 0.174 58.285 58.100 0.018 0.000 1.163 302 Y CB -0.351 38.136 38.460 0.045 0.000 0.988 302 Y HN 0.125 nan 8.280 nan 0.000 0.518 303 A N 0.636 123.518 122.820 0.103 0.000 1.902 303 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 303 A C 2.084 179.618 177.584 -0.083 0.000 1.181 303 A CA 1.602 53.625 52.037 -0.023 0.000 0.623 303 A CB -0.447 18.546 19.000 -0.011 0.000 0.818 303 A HN 0.350 nan 8.150 nan 0.000 0.443 304 K N -0.421 119.935 120.400 -0.074 0.000 2.097 304 K HA -0.126 4.194 4.320 -0.001 0.000 0.205 304 K C 1.365 177.902 176.600 -0.105 0.000 1.050 304 K CA 1.327 57.544 56.287 -0.116 0.000 0.938 304 K CB -0.230 32.163 32.500 -0.179 0.000 0.718 304 K HN 0.399 nan 8.250 nan 0.000 0.442 305 D N 1.113 121.457 120.400 -0.094 0.000 2.144 305 D HA -0.102 4.537 4.640 -0.001 0.000 0.200 305 D C 1.918 178.137 176.300 -0.135 0.000 0.978 305 D CA 0.942 54.880 54.000 -0.103 0.000 0.833 305 D CB -0.138 40.563 40.800 -0.166 0.000 0.961 305 D HN 0.168 nan 8.370 nan 0.000 0.470 306 I N 1.263 121.692 120.570 -0.235 0.000 2.179 306 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 306 I C 2.530 178.311 176.117 -0.560 0.000 1.088 306 I CA 1.012 62.035 61.300 -0.461 0.000 1.357 306 I CB -0.241 37.432 38.000 -0.545 0.000 1.051 306 I HN -0.082 nan 8.210 nan 0.000 0.409 307 A N 0.874 123.500 122.820 -0.324 0.000 1.873 307 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 307 A C 2.265 179.916 177.584 0.110 0.000 1.193 307 A CA 1.803 53.760 52.037 -0.132 0.000 0.629 307 A CB -1.084 17.887 19.000 -0.048 0.000 0.826 307 A HN 0.433 nan 8.150 nan 0.000 0.447 308 F N 0.602 120.507 119.950 -0.076 0.000 2.134 308 F HA -0.165 4.362 4.527 -0.001 0.000 0.299 308 F C 2.405 178.282 175.800 0.128 0.000 1.097 308 F CA 2.048 60.063 58.000 0.024 0.000 1.264 308 F CB -0.809 38.128 39.000 -0.105 0.000 1.001 308 F HN 0.362 nan 8.300 nan 0.000 0.479 309 Q N 0.007 119.816 119.800 0.016 0.000 2.096 309 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 309 Q C 2.326 178.390 176.000 0.107 0.000 0.982 309 Q CA 2.068 57.835 55.803 -0.060 0.000 0.850 309 Q CB -0.867 27.824 28.738 -0.079 0.000 0.901 309 Q HN 0.555 nan 8.270 nan 0.000 0.422 310 F N -1.714 118.205 119.950 -0.051 0.000 2.134 310 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 310 F C 1.880 177.645 175.800 -0.058 0.000 1.097 310 F CA 0.553 58.500 58.000 -0.089 0.000 1.264 310 F CB -0.320 38.657 39.000 -0.038 0.000 1.001 310 F HN 0.326 nan 8.300 nan 0.000 0.479 311 W N 1.932 123.293 121.300 0.101 0.000 2.381 311 W HA -0.156 4.504 4.660 -0.001 0.000 0.301 311 W C 2.190 178.667 176.519 -0.070 0.000 1.205 311 W CA 1.386 58.754 57.345 0.038 0.000 1.285 311 W CB -0.351 29.195 29.460 0.144 0.000 1.133 311 W HN -0.215 nan 8.180 nan 0.000 0.521 312 K N -0.161 120.126 120.400 -0.189 0.000 2.113 312 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 312 K C 1.791 178.095 176.600 -0.493 0.000 1.047 312 K CA 1.901 57.889 56.287 -0.498 0.000 0.928 312 K CB -0.446 31.861 32.500 -0.322 0.000 0.716 312 K HN 0.271 nan 8.250 nan 0.000 0.446 313 M N -0.467 118.925 119.600 -0.347 0.000 2.453 313 M HA 0.121 4.601 4.480 -0.001 0.000 0.239 313 M C 0.639 176.716 176.300 -0.371 0.000 1.151 313 M CA 0.258 55.358 55.300 -0.333 0.000 0.989 313 M CB 0.990 33.422 32.600 -0.280 0.000 1.548 313 M HN 0.412 nan 8.290 nan 0.000 0.479 314 G N 0.887 109.431 108.800 -0.427 0.000 2.162 314 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.260 314 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.260 314 G C 0.677 175.406 174.900 -0.285 0.000 0.976 314 G CA 0.345 45.223 45.100 -0.369 0.000 0.655 314 G HN 0.540 nan 8.290 nan 0.000 0.533 315 I N -0.418 119.950 120.570 -0.336 0.000 2.439 315 I HA 0.158 4.328 4.170 -0.001 0.000 0.251 315 I C 1.401 177.423 176.117 -0.158 0.000 1.139 315 I CA 1.016 62.080 61.300 -0.393 0.000 1.438 315 I CB -0.096 37.427 38.000 -0.795 0.000 1.085 315 I HN 0.145 nan 8.210 nan 0.000 0.427 316 L N -0.075 121.138 121.223 -0.016 0.000 2.354 316 L HA 0.488 4.827 4.340 -0.001 0.000 0.264 316 L C -0.635 176.360 176.870 0.208 0.000 1.008 316 L CA -0.621 54.296 54.840 0.129 0.000 0.819 316 L CB 2.347 44.557 42.059 0.253 0.000 1.339 316 L HN -0.011 nan 8.230 nan 0.000 0.420 317 E N -0.475 119.857 120.200 0.221 0.000 2.378 317 E HA 0.697 5.046 4.350 -0.001 0.000 0.265 317 E C -0.012 176.740 176.600 0.253 0.000 0.932 317 E CA -0.180 56.391 56.400 0.285 0.000 0.795 317 E CB 2.480 32.274 29.700 0.157 0.000 1.296 317 E HN 0.771 nan 8.360 nan 0.000 0.438 318 G N 0.025 108.974 108.800 0.248 0.000 3.382 318 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.214 318 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.214 318 G C -0.656 174.296 174.900 0.086 0.000 1.025 318 G CA -0.663 44.516 45.100 0.131 0.000 0.869 318 G HN 0.232 nan 8.290 nan 0.000 0.458 319 L N 2.232 123.520 121.223 0.109 0.000 2.416 319 L HA 0.649 4.988 4.340 -0.001 0.000 0.272 319 L C 0.739 177.705 176.870 0.161 0.000 1.161 319 L CA 0.094 54.926 54.840 -0.013 0.000 0.845 319 L CB 0.787 42.719 42.059 -0.212 0.000 1.119 319 L HN 0.256 nan 8.230 nan 0.000 0.464 320 R N 3.003 123.443 120.500 -0.100 0.000 2.670 320 R HA 0.648 4.988 4.340 -0.001 0.000 0.289 320 R C -1.334 174.805 176.300 -0.269 0.000 0.965 320 R CA -0.587 55.527 56.100 0.023 0.000 0.899 320 R CB 1.756 32.059 30.300 0.006 0.000 1.173 320 R HN 0.273 nan 8.270 nan 0.000 0.456 321 F N 1.085 121.103 119.950 0.114 0.000 2.593 321 F HA 0.622 5.149 4.527 -0.001 0.000 0.320 321 F C 0.328 176.157 175.800 0.048 0.000 1.060 321 F CA -0.806 57.244 58.000 0.084 0.000 0.940 321 F CB 1.754 40.809 39.000 0.091 0.000 1.268 321 F HN 0.438 nan 8.300 nan 0.000 0.475 322 R N -0.056 120.576 120.500 0.220 0.000 2.747 322 R HA 0.630 4.970 4.340 -0.001 0.000 0.272 322 R C -3.428 172.967 176.300 0.157 0.000 1.032 322 R CA -2.175 54.007 56.100 0.136 0.000 0.896 322 R CB 1.131 31.469 30.300 0.064 0.000 1.253 322 R HN 0.189 nan 8.270 nan 0.000 0.461 323 P HA -0.002 nan 4.420 nan 0.000 0.271 323 P C -1.566 175.840 177.300 0.177 0.000 1.216 323 P CA -0.031 63.150 63.100 0.134 0.000 0.776 323 P CB 0.130 31.877 31.700 0.077 0.000 0.881 324 Y N 2.387 122.739 120.300 0.088 0.000 2.367 324 Y HA 0.196 4.746 4.550 -0.001 0.000 0.342 324 Y C 0.572 176.518 175.900 0.077 0.000 0.979 324 Y CA -1.012 57.142 58.100 0.091 0.000 1.161 324 Y CB 0.599 39.148 38.460 0.147 0.000 1.155 324 Y HN 0.352 nan 8.280 nan 0.000 0.503 325 E N 5.748 125.686 120.200 -0.437 0.000 2.328 325 E HA 0.154 4.504 4.350 -0.001 0.000 0.265 325 E C -1.134 175.110 176.600 -0.594 0.000 1.057 325 E CA 0.097 56.261 56.400 -0.393 0.000 0.916 325 E CB 0.028 29.556 29.700 -0.288 0.000 0.993 325 E HN 0.870 nan 8.360 nan 0.000 0.446 326 N N 2.757 121.274 118.700 -0.305 0.000 2.935 326 N HA 0.245 4.984 4.740 -0.001 0.000 0.248 326 N C -2.580 172.797 175.510 -0.222 0.000 1.276 326 N CA -1.036 51.891 53.050 -0.205 0.000 0.906 326 N CB 1.540 40.069 38.487 0.070 0.000 1.564 326 N HN 0.081 nan 8.380 nan 0.000 0.500 327 P HA 0.153 nan 4.420 nan 0.000 0.255 327 P C -0.369 176.469 177.300 -0.770 0.000 1.248 327 P CA 0.492 63.222 63.100 -0.616 0.000 0.807 327 P CB -0.017 31.259 31.700 -0.706 0.000 1.150 328 Y N -1.181 118.963 120.300 -0.260 0.000 2.539 328 Y HA 0.202 4.751 4.550 -0.001 0.000 0.284 328 Y C 0.650 176.189 175.900 -0.602 0.000 1.134 328 Y CA -0.100 57.611 58.100 -0.647 0.000 1.251 328 Y CB -0.150 37.789 38.460 -0.867 0.000 1.260 328 Y HN -0.231 nan 8.280 nan 0.000 0.528 329 Y N 0.573 121.000 120.300 0.212 0.000 2.447 329 Y HA 0.372 4.922 4.550 -0.001 0.000 0.325 329 Y C -2.098 173.887 175.900 0.141 0.000 0.976 329 Y CA -2.972 55.252 58.100 0.207 0.000 1.280 329 Y CB 1.065 39.691 38.460 0.277 0.000 1.104 329 Y HN -0.102 nan 8.280 nan 0.000 0.486 330 P HA -0.132 nan 4.420 nan 0.000 0.216 330 P C 1.441 178.830 177.300 0.148 0.000 1.150 330 P CA 1.632 64.810 63.100 0.129 0.000 0.837 330 P CB 0.388 32.140 31.700 0.088 0.000 0.786 331 G N -1.402 107.505 108.800 0.178 0.000 3.141 331 G HA2 0.106 4.066 3.960 -0.001 0.000 0.218 331 G HA3 0.106 4.066 3.960 -0.001 0.000 0.218 331 G C 0.155 175.148 174.900 0.155 0.000 1.170 331 G CA -0.150 45.035 45.100 0.141 0.000 0.769 331 G HN 0.165 nan 8.290 nan 0.000 0.546 332 L N 1.330 122.688 121.223 0.226 0.000 2.455 332 L HA 0.440 4.779 4.340 -0.001 0.000 0.272 332 L C 0.207 177.214 176.870 0.227 0.000 1.174 332 L CA -0.275 54.696 54.840 0.218 0.000 0.869 332 L CB 0.372 42.609 42.059 0.295 0.000 1.130 332 L HN 0.046 nan 8.230 nan 0.000 0.474 333 R N 2.683 123.295 120.500 0.186 0.000 2.637 333 R HA 0.578 4.917 4.340 -0.001 0.000 0.291 333 R C -0.743 175.756 176.300 0.332 0.000 0.963 333 R CA -0.717 55.526 56.100 0.238 0.000 0.901 333 R CB 1.972 32.364 30.300 0.154 0.000 1.160 333 R HN 0.714 nan 8.270 nan 0.000 0.457 334 T N 0.342 115.115 114.554 0.365 0.000 2.908 334 T HA 0.319 4.669 4.350 -0.001 0.000 0.290 334 T C -0.194 174.569 174.700 0.106 0.000 1.034 334 T CA -0.620 61.661 62.100 0.302 0.000 1.010 334 T CB 1.170 70.167 68.868 0.215 0.000 1.068 334 T HN 0.653 nan 8.240 nan 0.000 0.481 335 S N 2.181 117.778 115.700 -0.172 0.000 2.585 335 S HA 0.760 5.229 4.470 -0.001 0.000 0.273 335 S C 0.076 174.439 174.600 -0.395 0.000 1.339 335 S CA -0.334 57.422 58.200 -0.740 0.000 1.028 335 S CB 0.792 63.632 63.200 -0.601 0.000 0.906 335 S HN 1.294 nan 8.310 nan 0.000 0.528 336 A N 1.776 124.369 122.820 -0.378 0.000 2.586 336 A HA 0.729 5.049 4.320 -0.001 0.000 0.290 336 A C -2.693 174.761 177.584 -0.216 0.000 1.086 336 A CA -1.367 50.497 52.037 -0.289 0.000 0.665 336 A CB 0.039 18.913 19.000 -0.211 0.000 1.279 336 A HN 0.513 nan 8.150 nan 0.000 0.423 337 P HA -0.015 nan 4.420 nan 0.000 0.216 337 P C 0.182 177.427 177.300 -0.092 0.000 1.150 337 P CA 1.491 64.514 63.100 -0.129 0.000 0.837 337 P CB 0.327 31.957 31.700 -0.117 0.000 0.786 338 E N -1.315 118.835 120.200 -0.083 0.000 2.212 338 E HA 0.659 5.008 4.350 -0.001 0.000 0.268 338 E C 0.057 176.641 176.600 -0.027 0.000 0.902 338 E CA -0.410 55.963 56.400 -0.045 0.000 0.779 338 E CB 1.620 31.298 29.700 -0.036 0.000 1.172 338 E HN 0.092 nan 8.360 nan 0.000 0.409 339 G N 1.818 110.624 108.800 0.010 0.000 2.343 339 G HA2 0.062 4.021 3.960 -0.001 0.000 0.289 339 G HA3 0.062 4.021 3.960 -0.001 0.000 0.289 339 G C -1.354 173.602 174.900 0.095 0.000 1.295 339 G CA -0.927 44.204 45.100 0.052 0.000 0.869 339 G HN 0.505 nan 8.290 nan 0.000 0.522 340 E N 0.241 120.530 120.200 0.148 0.000 2.229 340 E HA 0.562 4.912 4.350 -0.001 0.000 0.283 340 E C 0.655 177.423 176.600 0.280 0.000 1.030 340 E CA -0.144 56.361 56.400 0.176 0.000 0.836 340 E CB 1.063 30.855 29.700 0.154 0.000 1.068 340 E HN 0.953 nan 8.360 nan 0.000 0.401 341 A N 4.768 127.735 122.820 0.244 0.000 2.520 341 A HA 0.194 4.513 4.320 -0.001 0.000 0.245 341 A C -1.083 176.754 177.584 0.422 0.000 1.072 341 A CA 0.311 52.531 52.037 0.305 0.000 0.761 341 A CB -0.087 19.034 19.000 0.200 0.000 1.004 341 A HN 0.672 nan 8.150 nan 0.000 0.499 342 Y N 0.766 121.300 120.300 0.390 0.000 2.521 342 Y HA 0.523 5.073 4.550 -0.001 0.000 0.332 342 Y C -0.613 175.501 175.900 0.356 0.000 1.121 342 Y CA -0.281 57.988 58.100 0.282 0.000 1.037 342 Y CB 1.648 40.199 38.460 0.153 0.000 1.330 342 Y HN 0.637 nan 8.280 nan 0.000 0.452 343 T N 7.471 121.520 114.554 -0.841 0.000 2.886 343 T HA 0.295 4.644 4.350 -0.001 0.000 0.292 343 T C -2.441 171.338 174.700 -1.534 0.000 1.012 343 T CA -1.502 59.940 62.100 -1.097 0.000 0.982 343 T CB 2.093 70.523 68.868 -0.729 0.000 1.018 343 T HN 0.463 nan 8.240 nan 0.000 0.451 344 P HA 0.039 nan 4.420 nan 0.000 0.223 344 P C 0.010 177.008 177.300 -0.504 0.000 1.151 344 P CA 0.443 63.113 63.100 -0.718 0.000 0.787 344 P CB -0.058 31.370 31.700 -0.453 0.000 0.788 345 K N -1.564 118.503 120.400 -0.556 0.000 3.148 345 K HA -0.167 4.153 4.320 -0.001 0.000 0.267 345 K C 0.007 176.442 176.600 -0.276 0.000 0.996 345 K CA 0.074 56.137 56.287 -0.373 0.000 0.737 345 K CB -2.173 30.155 32.500 -0.286 0.000 1.308 345 K HN 0.265 nan 8.250 nan 0.000 0.470 346 A N 1.260 123.904 122.820 -0.293 0.000 2.520 346 A HA 0.029 4.348 4.320 -0.001 0.000 0.245 346 A C 1.328 178.814 177.584 -0.164 0.000 1.072 346 A CA -0.016 51.899 52.037 -0.203 0.000 0.761 346 A CB 0.286 19.166 19.000 -0.200 0.000 1.004 346 A HN 0.327 nan 8.150 nan 0.000 0.499 347 E N 1.315 121.446 120.200 -0.115 0.000 2.230 347 E HA 0.002 4.352 4.350 -0.001 0.000 0.192 347 E C -0.055 176.497 176.600 -0.079 0.000 0.987 347 E CA 0.896 57.243 56.400 -0.089 0.000 0.841 347 E CB 0.310 29.974 29.700 -0.060 0.000 0.783 347 E HN 0.837 nan 8.360 nan 0.000 0.481 348 E N 0.115 120.275 120.200 -0.067 0.000 2.366 348 E HA 0.278 4.628 4.350 -0.001 0.000 0.278 348 E C -0.940 175.636 176.600 -0.040 0.000 0.923 348 E CA -0.424 55.950 56.400 -0.043 0.000 0.761 348 E CB 2.232 31.969 29.700 0.061 0.000 1.231 348 E HN -0.037 nan 8.360 nan 0.000 0.443 349 T N -0.844 113.681 114.554 -0.049 0.000 2.893 349 T HA 0.767 5.116 4.350 -0.001 0.000 0.291 349 T C -0.371 174.371 174.700 0.070 0.000 1.028 349 T CA -0.710 61.376 62.100 -0.023 0.000 0.995 349 T CB 0.886 69.704 68.868 -0.085 0.000 1.051 349 T HN 0.344 nan 8.240 nan 0.000 0.470 350 I N 2.147 122.774 120.570 0.095 0.000 2.468 350 I HA 0.352 4.522 4.170 -0.001 0.000 0.285 350 I C -0.556 175.646 176.117 0.141 0.000 1.039 350 I CA -0.791 60.602 61.300 0.155 0.000 1.074 350 I CB 1.843 39.926 38.000 0.138 0.000 1.228 350 I HN 0.700 nan 8.210 nan 0.000 0.436 351 N N 5.443 124.255 118.700 0.187 0.000 2.444 351 N HA 0.392 5.132 4.740 -0.001 0.000 0.262 351 N C -0.878 174.691 175.510 0.098 0.000 0.974 351 N CA -0.623 52.509 53.050 0.136 0.000 0.933 351 N CB 2.412 40.975 38.487 0.127 0.000 1.137 351 N HN 0.189 nan 8.380 nan 0.000 0.498 352 V N 3.627 123.626 119.914 0.141 0.000 2.389 352 V HA 0.271 4.391 4.120 -0.001 0.000 0.264 352 V C 0.290 176.512 176.094 0.213 0.000 1.049 352 V CA -0.393 62.021 62.300 0.189 0.000 0.932 352 V CB 0.366 32.313 31.823 0.208 0.000 1.011 352 V HN 0.392 nan 8.190 nan 0.000 0.475 353 V N 1.257 121.246 119.914 0.125 0.000 2.925 353 V HA 0.637 4.756 4.120 -0.001 0.000 0.311 353 V C -0.517 175.279 176.094 -0.497 0.000 1.104 353 V CA -1.089 61.188 62.300 -0.039 0.000 0.954 353 V CB 2.091 33.805 31.823 -0.182 0.000 1.022 353 V HN 0.651 nan 8.190 nan 0.000 0.427 354 D N 2.075 122.114 120.400 -0.602 0.000 2.455 354 D HA 0.101 4.741 4.640 -0.001 0.000 0.241 354 D C 1.350 177.365 176.300 -0.476 0.000 1.138 354 D CA 0.647 54.122 54.000 -0.874 0.000 0.877 354 D CB 1.944 42.560 40.800 -0.306 0.000 1.187 354 D HN 0.824 nan 8.370 nan 0.000 0.451 355 V N 2.914 122.569 119.914 -0.431 0.000 2.392 355 V HA -0.237 3.883 4.120 -0.001 0.000 0.249 355 V C 2.218 178.232 176.094 -0.132 0.000 1.059 355 V CA 1.376 63.551 62.300 -0.209 0.000 1.051 355 V CB -0.749 30.991 31.823 -0.139 0.000 0.658 355 V HN 0.330 nan 8.190 nan 0.000 0.455 356 R N 0.397 120.820 120.500 -0.129 0.000 2.065 356 R HA 0.101 4.440 4.340 -0.001 0.000 0.224 356 R C 1.744 177.993 176.300 -0.084 0.000 1.161 356 R CA 0.967 57.016 56.100 -0.085 0.000 0.923 356 R CB -0.799 29.460 30.300 -0.068 0.000 0.822 356 R HN 0.499 nan 8.270 nan 0.000 0.437 357 Q N 1.070 120.824 119.800 -0.078 0.000 3.025 357 Q HA 0.101 4.441 4.340 -0.001 0.000 0.251 357 Q C -0.583 175.388 176.000 -0.048 0.000 1.348 357 Q CA 0.284 56.051 55.803 -0.059 0.000 0.906 357 Q CB -0.019 28.716 28.738 -0.005 0.000 1.764 357 Q HN 0.055 nan 8.270 nan 0.000 0.535 358 S N 0.627 116.280 115.700 -0.079 0.000 2.569 358 S HA 0.557 5.027 4.470 -0.001 0.000 0.280 358 S C -1.290 173.299 174.600 -0.019 0.000 1.111 358 S CA -0.701 57.500 58.200 0.002 0.000 0.887 358 S CB 0.884 64.065 63.200 -0.033 0.000 1.095 358 S HN 0.514 nan 8.310 nan 0.000 0.476 359 H N 2.145 121.288 119.070 0.121 0.000 2.499 359 H HA 0.511 5.066 4.556 -0.001 0.000 0.340 359 H C -2.258 173.144 175.328 0.123 0.000 1.148 359 H CA -1.544 54.596 56.048 0.153 0.000 1.215 359 H CB 0.659 30.515 29.762 0.155 0.000 1.529 359 H HN 0.411 nan 8.280 nan 0.000 0.510 360 P HA -0.019 nan 4.420 nan 0.000 0.267 360 P C -0.027 177.231 177.300 -0.070 0.000 1.209 360 P CA 0.005 63.140 63.100 0.058 0.000 0.763 360 P CB 1.043 32.795 31.700 0.088 0.000 0.816 361 Q N 2.651 122.383 119.800 -0.113 0.000 2.234 361 Q HA -0.181 4.158 4.340 -0.001 0.000 0.206 361 Q C 2.139 178.011 176.000 -0.213 0.000 0.980 361 Q CA 1.797 57.424 55.803 -0.293 0.000 0.869 361 Q CB -0.398 28.163 28.738 -0.296 0.000 0.912 361 Q HN 0.631 nan 8.270 nan 0.000 0.436 362 A N 1.033 123.785 122.820 -0.113 0.000 1.948 362 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 362 A C 2.012 179.469 177.584 -0.211 0.000 1.177 362 A CA 1.340 53.342 52.037 -0.058 0.000 0.636 362 A CB -0.620 18.447 19.000 0.112 0.000 0.815 362 A HN 0.391 nan 8.150 nan 0.000 0.449 363 L N 0.518 121.445 121.223 -0.494 0.000 1.943 363 L HA -0.173 4.167 4.340 -0.001 0.000 0.215 363 L C 2.609 179.149 176.870 -0.549 0.000 1.074 363 L CA 2.848 57.104 54.840 -0.973 0.000 0.759 363 L CB -0.746 40.636 42.059 -1.127 0.000 0.888 363 L HN 0.433 nan 8.230 nan 0.000 0.433 364 V N -2.393 117.287 119.914 -0.390 0.000 2.515 364 V HA -0.179 3.941 4.120 -0.001 0.000 0.250 364 V C 2.688 178.683 176.094 -0.164 0.000 1.058 364 V CA 1.632 63.777 62.300 -0.258 0.000 1.064 364 V CB -0.911 30.781 31.823 -0.219 0.000 0.675 364 V HN 0.450 nan 8.190 nan 0.000 0.461 365 R N 1.465 121.858 120.500 -0.177 0.000 2.082 365 R HA 0.007 4.347 4.340 -0.001 0.000 0.234 365 R C 2.541 178.801 176.300 -0.067 0.000 1.136 365 R CA 2.292 58.324 56.100 -0.113 0.000 0.935 365 R CB -1.442 28.791 30.300 -0.111 0.000 0.842 365 R HN 0.630 nan 8.270 nan 0.000 0.430 366 A N -0.025 122.745 122.820 -0.084 0.000 1.933 366 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 366 A C 2.288 179.864 177.584 -0.014 0.000 1.175 366 A CA 1.804 53.817 52.037 -0.040 0.000 0.628 366 A CB -0.918 18.074 19.000 -0.013 0.000 0.814 366 A HN 0.411 nan 8.150 nan 0.000 0.444 367 A N -0.267 122.524 122.820 -0.049 0.000 1.902 367 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 367 A C 2.169 179.888 177.584 0.226 0.000 1.181 367 A CA 1.484 53.544 52.037 0.040 0.000 0.623 367 A CB -0.604 18.336 19.000 -0.099 0.000 0.818 367 A HN 0.463 nan 8.150 nan 0.000 0.443 368 L N -0.837 120.505 121.223 0.199 0.000 2.083 368 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 368 L C 3.093 180.068 176.870 0.175 0.000 1.083 368 L CA 1.058 56.035 54.840 0.229 0.000 0.752 368 L CB -0.471 41.656 42.059 0.112 0.000 0.899 368 L HN 0.455 nan 8.230 nan 0.000 0.433 369 A N 0.042 122.917 122.820 0.092 0.000 1.855 369 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 369 A C 2.203 179.820 177.584 0.055 0.000 1.191 369 A CA 1.264 53.331 52.037 0.051 0.000 0.613 369 A CB -0.735 18.272 19.000 0.011 0.000 0.829 369 A HN 0.340 nan 8.150 nan 0.000 0.442 370 L N -0.674 120.594 121.223 0.076 0.000 2.127 370 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 370 L C 2.771 179.706 176.870 0.109 0.000 1.089 370 L CA 0.942 55.840 54.840 0.097 0.000 0.757 370 L CB -0.400 41.724 42.059 0.109 0.000 0.899 370 L HN 0.442 nan 8.230 nan 0.000 0.434 371 A N -0.442 122.471 122.820 0.155 0.000 2.235 371 A HA 0.273 4.592 4.320 -0.001 0.000 0.208 371 A C 1.611 179.195 177.584 -0.001 0.000 1.172 371 A CA 0.765 52.895 52.037 0.155 0.000 0.786 371 A CB -0.394 18.745 19.000 0.232 0.000 0.804 371 A HN 0.526 nan 8.150 nan 0.000 0.479 372 G N -2.230 106.524 108.800 -0.076 0.000 2.164 372 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.212 372 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.212 372 G C -0.219 174.324 174.900 -0.595 0.000 1.031 372 G CA 0.189 45.102 45.100 -0.313 0.000 0.730 372 G HN 0.525 nan 8.290 nan 0.000 0.501 373 Y N -0.487 119.764 120.300 -0.081 0.000 2.470 373 Y HA 0.327 4.877 4.550 -0.001 0.000 0.352 373 Y C -0.944 174.914 175.900 -0.071 0.000 0.967 373 Y CA -1.487 56.556 58.100 -0.095 0.000 1.121 373 Y CB 1.271 39.645 38.460 -0.143 0.000 1.149 373 Y HN 0.151 nan 8.280 nan 0.000 0.641 374 P HA -0.235 nan 4.420 nan 0.000 0.216 374 P C 1.380 178.681 177.300 0.001 0.000 1.150 374 P CA 1.863 64.964 63.100 0.002 0.000 0.837 374 P CB 0.481 32.167 31.700 -0.023 0.000 0.786 375 A N 0.449 123.272 122.820 0.004 0.000 1.873 375 A HA -0.107 4.213 4.320 -0.001 0.000 0.215 375 A C 2.462 180.038 177.584 -0.014 0.000 1.186 375 A CA 1.300 53.333 52.037 -0.006 0.000 0.616 375 A CB -1.586 17.412 19.000 -0.005 0.000 0.823 375 A HN 0.129 nan 8.150 nan 0.000 0.442 376 L N -0.633 120.592 121.223 0.003 0.000 2.201 376 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 376 L C 2.972 179.800 176.870 -0.071 0.000 1.105 376 L CA 0.718 55.532 54.840 -0.044 0.000 0.775 376 L CB -0.488 41.537 42.059 -0.057 0.000 0.913 376 L HN 0.455 nan 8.230 nan 0.000 0.440 377 A N -0.240 122.559 122.820 -0.036 0.000 2.024 377 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 377 A C 2.016 179.539 177.584 -0.101 0.000 1.164 377 A CA 1.379 53.382 52.037 -0.057 0.000 0.643 377 A CB -0.216 18.769 19.000 -0.024 0.000 0.806 377 A HN 0.356 nan 8.150 nan 0.000 0.451 378 E N -0.409 119.738 120.200 -0.089 0.000 2.489 378 E HA 0.018 4.368 4.350 -0.001 0.000 0.193 378 E C 0.497 176.990 176.600 -0.178 0.000 1.057 378 E CA 0.327 56.672 56.400 -0.092 0.000 0.866 378 E CB 0.143 29.821 29.700 -0.037 0.000 0.916 378 E HN 0.394 nan 8.360 nan 0.000 0.500 379 K N 0.187 120.436 120.400 -0.251 0.000 2.414 379 K HA 0.268 4.588 4.320 -0.001 0.000 0.204 379 K C 0.106 176.331 176.600 -0.625 0.000 1.026 379 K CA -0.246 55.797 56.287 -0.407 0.000 1.108 379 K CB 1.157 33.556 32.500 -0.168 0.000 0.855 379 K HN -0.086 nan 8.250 nan 0.000 0.517 380 A N 1.578 124.079 122.820 -0.531 0.000 2.444 380 A HA 0.382 4.701 4.320 -0.001 0.000 0.332 380 A C -0.837 176.501 177.584 -0.410 0.000 1.430 380 A CA -0.440 51.366 52.037 -0.386 0.000 0.975 380 A CB -0.363 18.487 19.000 -0.250 0.000 1.147 380 A HN 0.274 nan 8.150 nan 0.000 0.524 381 H N 0.321 119.372 119.070 -0.032 0.000 2.496 381 H HA 0.558 5.114 4.556 -0.001 0.000 0.342 381 H C -0.344 175.066 175.328 0.136 0.000 1.170 381 H CA -0.201 55.852 56.048 0.009 0.000 1.274 381 H CB 0.987 30.765 29.762 0.026 0.000 1.538 381 H HN 0.765 nan 8.280 nan 0.000 0.542 382 H N 0.647 119.808 119.070 0.151 0.000 2.600 382 H HA 0.284 4.840 4.556 -0.001 0.000 0.357 382 H C -1.200 174.187 175.328 0.099 0.000 1.106 382 H CA -1.059 55.048 56.048 0.098 0.000 1.193 382 H CB 2.126 31.926 29.762 0.064 0.000 1.594 382 H HN 0.180 nan 8.280 nan 0.000 0.526 383 L N 3.490 124.820 121.223 0.177 0.000 2.384 383 L HA 0.478 4.818 4.340 -0.001 0.000 0.261 383 L C -0.617 176.332 176.870 0.131 0.000 1.024 383 L CA -0.355 54.570 54.840 0.141 0.000 0.899 383 L CB 0.260 42.398 42.059 0.131 0.000 1.243 383 L HN 0.661 nan 8.230 nan 0.000 0.449 384 A N 4.451 127.322 122.820 0.084 0.000 2.327 384 A HA 0.662 4.982 4.320 -0.001 0.000 0.283 384 A C -1.181 176.433 177.584 0.049 0.000 1.127 384 A CA -0.277 51.751 52.037 -0.016 0.000 0.810 384 A CB 0.252 19.227 19.000 -0.041 0.000 1.066 384 A HN 0.703 nan 8.150 nan 0.000 0.492 385 Y N -0.386 119.918 120.300 0.006 0.000 2.545 385 Y HA 0.767 5.316 4.550 -0.001 0.000 0.348 385 Y C -0.071 175.828 175.900 -0.002 0.000 1.002 385 Y CA -1.371 56.729 58.100 0.000 0.000 1.039 385 Y CB 0.931 39.389 38.460 -0.002 0.000 1.271 385 Y HN 0.537 nan 8.280 nan 0.000 0.467 386 E N 0.944 121.240 120.200 0.159 0.000 2.351 386 E HA 0.274 4.623 4.350 -0.001 0.000 0.255 386 E C -0.418 176.277 176.600 0.159 0.000 1.188 386 E CA -0.287 56.163 56.400 0.083 0.000 0.940 386 E CB 1.039 30.767 29.700 0.047 0.000 1.094 386 E HN 0.840 nan 8.360 nan 0.000 0.474 387 T N 0.164 114.763 114.554 0.076 0.000 2.856 387 T HA 0.214 4.564 4.350 -0.001 0.000 0.306 387 T C -0.032 174.704 174.700 0.061 0.000 1.062 387 T CA -0.326 61.815 62.100 0.068 0.000 1.083 387 T CB 0.504 69.381 68.868 0.015 0.000 0.984 387 T HN 0.087 nan 8.240 nan 0.000 0.542 388 V N 3.320 123.260 119.914 0.042 0.000 2.444 388 V HA 0.403 4.523 4.120 -0.001 0.000 0.294 388 V C -0.051 176.048 176.094 0.009 0.000 1.022 388 V CA -0.780 61.535 62.300 0.025 0.000 0.850 388 V CB 1.278 33.104 31.823 0.005 0.000 0.992 388 V HN 0.655 nan 8.190 nan 0.000 0.426 389 L N 4.775 126.012 121.223 0.022 0.000 2.360 389 L HA 0.600 4.940 4.340 -0.001 0.000 0.271 389 L C -0.620 176.276 176.870 0.044 0.000 1.057 389 L CA -0.792 54.058 54.840 0.017 0.000 0.803 389 L CB 1.577 43.644 42.059 0.014 0.000 1.207 389 L HN 0.435 nan 8.230 nan 0.000 0.445 390 L N 2.475 123.721 121.223 0.038 0.000 2.316 390 L HA 0.367 4.706 4.340 -0.001 0.000 0.280 390 L C -0.157 176.746 176.870 0.055 0.000 1.006 390 L CA 0.086 54.965 54.840 0.065 0.000 0.836 390 L CB 0.428 42.526 42.059 0.064 0.000 1.221 390 L HN 0.548 nan 8.230 nan 0.000 0.418 391 E N 4.140 124.361 120.200 0.034 0.000 2.389 391 E HA -0.237 4.113 4.350 -0.001 0.000 0.243 391 E C 0.997 177.611 176.600 0.024 0.000 1.154 391 E CA 1.034 57.453 56.400 0.032 0.000 0.723 391 E CB -1.527 28.224 29.700 0.085 0.000 1.261 391 E HN 1.204 nan 8.360 nan 0.000 0.390 392 G N -0.048 108.760 108.800 0.012 0.000 2.155 392 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.257 392 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.257 392 G C 0.274 175.180 174.900 0.010 0.000 0.983 392 G CA 0.866 45.971 45.100 0.008 0.000 0.676 392 G HN 0.333 nan 8.290 nan 0.000 0.528 393 R N -0.026 120.483 120.500 0.015 0.000 2.445 393 R HA 0.653 4.993 4.340 -0.001 0.000 0.308 393 R C 0.075 176.374 176.300 -0.002 0.000 0.961 393 R CA -0.933 55.173 56.100 0.010 0.000 0.862 393 R CB 0.959 31.271 30.300 0.020 0.000 1.144 393 R HN 0.217 nan 8.270 nan 0.000 0.447 394 Q N 3.432 123.224 119.800 -0.014 0.000 2.304 394 Q HA 0.229 4.569 4.340 -0.001 0.000 0.260 394 Q C -0.706 175.264 176.000 -0.049 0.000 0.965 394 Q CA 0.269 56.053 55.803 -0.032 0.000 0.898 394 Q CB 1.021 29.740 28.738 -0.032 0.000 1.196 394 Q HN 0.641 nan 8.270 nan 0.000 0.402 395 M N 3.147 122.697 119.600 -0.084 0.000 3.590 395 M HA 0.217 4.696 4.480 -0.001 0.000 0.214 395 M C -0.378 175.817 176.300 -0.174 0.000 1.306 395 M CA 0.375 55.600 55.300 -0.124 0.000 1.479 395 M CB -0.011 32.490 32.600 -0.165 0.000 1.083 395 M HN 0.572 nan 8.290 nan 0.000 0.617 396 S N -0.249 115.383 115.700 -0.113 0.000 2.941 396 S HA 0.701 5.170 4.470 -0.001 0.000 0.248 396 S C -0.159 174.403 174.600 -0.064 0.000 0.962 396 S CA 0.051 58.188 58.200 -0.106 0.000 1.092 396 S CB -0.209 62.936 63.200 -0.091 0.000 1.113 396 S HN 0.669 nan 8.310 nan 0.000 0.512 403 V N 1.742 121.680 119.914 0.040 0.000 2.588 403 V HA 0.644 4.764 4.120 -0.001 0.000 0.304 403 V C 0.686 176.837 176.094 0.095 0.000 1.042 403 V CA -0.061 62.288 62.300 0.081 0.000 0.877 403 V CB 1.718 33.600 31.823 0.100 0.000 0.996 403 V HN 1.435 nan 8.190 nan 0.000 0.425 404 S N 3.487 119.262 115.700 0.125 0.000 2.593 404 S HA 0.295 4.764 4.470 -0.001 0.000 0.269 404 S C 1.087 175.764 174.600 0.128 0.000 1.334 404 S CA -0.427 57.852 58.200 0.132 0.000 1.015 404 S CB 1.525 64.837 63.200 0.187 0.000 0.912 404 S HN 0.405 nan 8.310 nan 0.000 0.541 405 V N 1.386 121.362 119.914 0.104 0.000 2.407 405 V HA -0.137 3.983 4.120 -0.001 0.000 0.248 405 V C 2.108 178.260 176.094 0.097 0.000 1.055 405 V CA 2.075 64.417 62.300 0.070 0.000 1.049 405 V CB -0.940 30.913 31.823 0.050 0.000 0.662 405 V HN 0.851 nan 8.190 nan 0.000 0.455 406 D N -0.079 120.414 120.400 0.155 0.000 2.178 406 D HA -0.161 4.478 4.640 -0.001 0.000 0.201 406 D C 2.193 178.573 176.300 0.133 0.000 0.980 406 D CA 1.211 55.307 54.000 0.161 0.000 0.842 406 D CB -0.052 40.901 40.800 0.255 0.000 0.948 406 D HN 0.586 nan 8.370 nan 0.000 0.472 407 E N 0.091 120.385 120.200 0.156 0.000 2.072 407 E HA -0.067 4.283 4.350 -0.001 0.000 0.190 407 E C 2.310 179.008 176.600 0.163 0.000 0.982 407 E CA 0.319 56.800 56.400 0.135 0.000 0.803 407 E CB 0.209 29.996 29.700 0.145 0.000 0.755 407 E HN 0.051 nan 8.360 nan 0.000 0.453 408 V N 1.722 121.744 119.914 0.180 0.000 2.407 408 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 408 V C 2.293 178.527 176.094 0.234 0.000 1.055 408 V CA 1.413 63.867 62.300 0.257 0.000 1.049 408 V CB -0.424 31.434 31.823 0.059 0.000 0.662 408 V HN 0.265 nan 8.190 nan 0.000 0.455 409 L N 0.341 121.641 121.223 0.127 0.000 2.017 409 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 409 L C 2.775 179.714 176.870 0.115 0.000 1.073 409 L CA 2.308 57.212 54.840 0.106 0.000 0.745 409 L CB -0.722 41.381 42.059 0.072 0.000 0.894 409 L HN 0.568 nan 8.230 nan 0.000 0.432 410 E N 0.186 120.444 120.200 0.097 0.000 2.077 410 E HA -0.303 4.046 4.350 -0.001 0.000 0.193 410 E C 1.957 178.588 176.600 0.051 0.000 0.989 410 E CA 1.429 57.868 56.400 0.066 0.000 0.800 410 E CB -0.279 29.448 29.700 0.046 0.000 0.746 410 E HN 0.339 nan 8.360 nan 0.000 0.452 411 E N 1.358 121.588 120.200 0.050 0.000 2.106 411 E HA -0.098 4.252 4.350 -0.001 0.000 0.192 411 E C 1.942 178.514 176.600 -0.047 0.000 0.984 411 E CA 1.612 57.965 56.400 -0.079 0.000 0.806 411 E CB -0.357 29.196 29.700 -0.245 0.000 0.750 411 E HN 0.388 nan 8.360 nan 0.000 0.458 412 A N -0.569 122.371 122.820 0.200 0.000 1.929 412 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 412 A C 2.388 180.069 177.584 0.163 0.000 1.176 412 A CA 1.796 54.017 52.037 0.306 0.000 0.628 412 A CB -0.809 18.445 19.000 0.425 0.000 0.816 412 A HN 0.335 nan 8.150 nan 0.000 0.444 413 T N -0.743 113.879 114.554 0.115 0.000 2.904 413 T HA -0.083 4.266 4.350 -0.001 0.000 0.267 413 T C 2.051 176.781 174.700 0.050 0.000 1.059 413 T CA 1.516 63.662 62.100 0.078 0.000 1.137 413 T CB -0.159 68.746 68.868 0.062 0.000 0.879 413 T HN 0.512 nan 8.240 nan 0.000 0.467 414 R N 1.456 121.974 120.500 0.030 0.000 2.070 414 R HA 0.044 4.383 4.340 -0.001 0.000 0.233 414 R C 2.484 178.789 176.300 0.007 0.000 1.137 414 R CA 1.467 57.570 56.100 0.004 0.000 0.945 414 R CB -0.145 30.138 30.300 -0.028 0.000 0.845 414 R HN 0.274 nan 8.270 nan 0.000 0.430 415 R N -0.258 120.247 120.500 0.008 0.000 2.096 415 R HA -0.027 4.313 4.340 -0.001 0.000 0.235 415 R C 2.287 178.623 176.300 0.061 0.000 1.127 415 R CA 1.240 57.355 56.100 0.024 0.000 0.968 415 R CB -0.458 29.860 30.300 0.031 0.000 0.861 415 R HN 0.301 nan 8.270 nan 0.000 0.440 416 A N 1.386 124.259 122.820 0.088 0.000 1.933 416 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 416 A C 2.165 179.791 177.584 0.070 0.000 1.175 416 A CA 1.383 53.487 52.037 0.112 0.000 0.628 416 A CB -0.363 18.706 19.000 0.115 0.000 0.814 416 A HN 0.090 nan 8.150 nan 0.000 0.444 417 R N 0.159 120.683 120.500 0.040 0.000 2.083 417 R HA -0.087 4.253 4.340 -0.001 0.000 0.237 417 R C 2.189 178.492 176.300 0.004 0.000 1.137 417 R CA 1.955 58.063 56.100 0.013 0.000 0.951 417 R CB -0.873 29.432 30.300 0.008 0.000 0.851 417 R HN 0.429 nan 8.270 nan 0.000 0.434 418 A N 0.091 122.915 122.820 0.007 0.000 1.933 418 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 418 A C 2.255 179.830 177.584 -0.015 0.000 1.175 418 A CA 1.545 53.579 52.037 -0.005 0.000 0.628 418 A CB -0.552 18.445 19.000 -0.005 0.000 0.814 418 A HN 0.363 nan 8.150 nan 0.000 0.444 419 I N -0.392 120.176 120.570 -0.004 0.000 2.315 419 I HA -0.181 3.989 4.170 -0.001 0.000 0.248 419 I C 2.105 178.173 176.117 -0.082 0.000 1.117 419 I CA 0.957 62.229 61.300 -0.047 0.000 1.404 419 I CB -0.231 37.777 38.000 0.013 0.000 1.071 419 I HN 0.132 nan 8.210 nan 0.000 0.419 420 V N 0.322 120.219 119.914 -0.029 0.000 2.809 420 V HA -0.147 3.973 4.120 -0.001 0.000 0.256 420 V C 2.362 178.440 176.094 -0.027 0.000 1.080 420 V CA 1.318 63.598 62.300 -0.033 0.000 1.102 420 V CB -0.573 31.220 31.823 -0.050 0.000 0.705 420 V HN 0.368 nan 8.190 nan 0.000 0.475 421 E N 0.696 120.881 120.200 -0.025 0.000 2.208 421 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 421 E C 2.194 178.785 176.600 -0.016 0.000 0.988 421 E CA 1.453 57.846 56.400 -0.012 0.000 0.828 421 E CB 0.115 29.808 29.700 -0.011 0.000 0.763 421 E HN 0.931 nan 8.360 nan 0.000 0.478 422 E N 0.371 120.549 120.200 -0.037 0.000 2.132 422 E HA 0.013 4.363 4.350 -0.001 0.000 0.193 422 E C 1.781 178.349 176.600 -0.054 0.000 0.951 422 E CA 0.199 56.572 56.400 -0.044 0.000 0.843 422 E CB -0.206 29.460 29.700 -0.057 0.000 0.807 422 E HN -0.049 nan 8.360 nan 0.000 0.467 423 K N 0.436 120.780 120.400 -0.093 0.000 2.362 423 K HA 0.005 4.325 4.320 -0.001 0.000 0.200 423 K C 0.427 177.015 176.600 -0.019 0.000 1.046 423 K CA 0.905 57.130 56.287 -0.102 0.000 0.952 423 K CB -0.101 32.258 32.500 -0.235 0.000 0.753 423 K HN 0.159 nan 8.250 nan 0.000 0.466 424 N N -0.296 118.412 118.700 0.013 0.000 2.805 424 N HA 0.066 4.806 4.740 -0.001 0.000 0.216 424 N C -2.469 173.088 175.510 0.079 0.000 1.447 424 N CA -0.693 52.399 53.050 0.070 0.000 0.785 424 N CB 1.031 39.605 38.487 0.145 0.000 1.458 424 N HN -0.187 nan 8.380 nan 0.000 0.547 425 P HA -0.095 nan 4.420 nan 0.000 0.228 425 P C 0.037 177.371 177.300 0.057 0.000 1.151 425 P CA 1.155 64.280 63.100 0.041 0.000 0.770 425 P CB 0.142 31.854 31.700 0.021 0.000 0.786 426 D N -2.209 118.232 120.400 0.068 0.000 2.424 426 D HA -0.037 4.602 4.640 -0.001 0.000 0.220 426 D C 0.153 176.504 176.300 0.085 0.000 1.150 426 D CA -0.587 53.450 54.000 0.061 0.000 0.831 426 D CB -1.241 39.580 40.800 0.034 0.000 0.981 426 D HN 0.244 nan 8.370 nan 0.000 0.500 427 H N 2.335 121.419 119.070 0.022 0.000 2.886 427 H HA 0.054 4.609 4.556 -0.001 0.000 0.329 427 H C -0.954 174.389 175.328 0.025 0.000 1.044 427 H CA -0.823 55.242 56.048 0.028 0.000 1.456 427 H CB 1.296 31.078 29.762 0.034 0.000 1.464 427 H HN -0.159 nan 8.280 nan 0.000 0.573 428 P HA -0.206 nan 4.420 nan 0.000 0.205 428 P C 0.111 177.548 177.300 0.228 0.000 1.181 428 P CA 1.209 64.385 63.100 0.126 0.000 0.933 428 P CB 0.160 31.876 31.700 0.027 0.000 0.775 429 D N -0.653 119.944 120.400 0.328 0.000 2.467 429 D HA 0.104 4.743 4.640 -0.001 0.000 0.220 429 D C 0.960 177.306 176.300 0.077 0.000 1.103 429 D CA -0.251 53.861 54.000 0.186 0.000 0.886 429 D CB 0.513 41.394 40.800 0.134 0.000 1.025 429 D HN -0.016 nan 8.370 nan 0.000 0.514 430 K N 2.113 122.507 120.400 -0.010 0.000 2.155 430 K HA -0.124 4.195 4.320 -0.001 0.000 0.203 430 K C 1.405 177.934 176.600 -0.119 0.000 1.052 430 K CA 0.646 56.835 56.287 -0.164 0.000 0.948 430 K CB 0.351 32.813 32.500 -0.064 0.000 0.728 430 K HN 0.223 nan 8.250 nan 0.000 0.448 431 E N 1.825 122.001 120.200 -0.040 0.000 2.051 431 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 431 E C 1.860 178.451 176.600 -0.014 0.000 0.991 431 E CA 1.530 57.920 56.400 -0.016 0.000 0.799 431 E CB -0.040 29.665 29.700 0.008 0.000 0.748 431 E HN 0.189 nan 8.360 nan 0.000 0.449 432 E N 0.010 120.207 120.200 -0.005 0.000 2.110 432 E HA -0.109 4.240 4.350 -0.001 0.000 0.193 432 E C 1.806 178.400 176.600 -0.010 0.000 0.988 432 E CA 1.551 57.958 56.400 0.012 0.000 0.804 432 E CB -0.550 29.175 29.700 0.042 0.000 0.745 432 E HN 0.292 nan 8.360 nan 0.000 0.458 433 A N 0.734 123.504 122.820 -0.083 0.000 1.902 433 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 433 A C 2.452 180.011 177.584 -0.042 0.000 1.181 433 A CA 2.028 53.993 52.037 -0.120 0.000 0.623 433 A CB -1.021 17.691 19.000 -0.480 0.000 0.818 433 A HN 0.398 nan 8.150 nan 0.000 0.443 434 A N -0.418 122.376 122.820 -0.043 0.000 1.898 434 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 434 A C 2.254 179.857 177.584 0.032 0.000 1.181 434 A CA 1.645 53.689 52.037 0.011 0.000 0.620 434 A CB -0.503 18.501 19.000 0.006 0.000 0.819 434 A HN 0.548 nan 8.150 nan 0.000 0.442 435 R N -0.760 119.753 120.500 0.022 0.000 2.073 435 R HA -0.119 4.221 4.340 -0.001 0.000 0.234 435 R C 2.165 178.482 176.300 0.029 0.000 1.134 435 R CA 1.920 58.038 56.100 0.030 0.000 0.952 435 R CB -0.328 29.988 30.300 0.026 0.000 0.850 435 R HN 0.558 nan 8.270 nan 0.000 0.433 436 M N -0.101 119.512 119.600 0.021 0.000 2.117 436 M HA -0.157 4.322 4.480 -0.001 0.000 0.262 436 M C 2.259 178.568 176.300 0.016 0.000 1.065 436 M CA 1.397 56.706 55.300 0.014 0.000 1.114 436 M CB -0.072 32.535 32.600 0.012 0.000 1.361 436 M HN 0.056 nan 8.290 nan 0.000 0.408 437 V N 0.336 120.269 119.914 0.033 0.000 2.358 437 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 437 V C 2.639 178.760 176.094 0.045 0.000 1.047 437 V CA 1.953 64.268 62.300 0.026 0.000 1.035 437 V CB -1.232 30.646 31.823 0.092 0.000 0.658 437 V HN 0.502 nan 8.190 nan 0.000 0.452 438 A N -0.091 122.774 122.820 0.075 0.000 1.902 438 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 438 A C 2.162 179.802 177.584 0.093 0.000 1.181 438 A CA 2.034 54.137 52.037 0.109 0.000 0.623 438 A CB -0.581 18.485 19.000 0.110 0.000 0.818 438 A HN 0.447 nan 8.150 nan 0.000 0.443 439 L N 0.136 121.393 121.223 0.056 0.000 2.046 439 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 439 L C 2.352 179.249 176.870 0.046 0.000 1.077 439 L CA 2.314 57.176 54.840 0.036 0.000 0.747 439 L CB -1.008 41.059 42.059 0.014 0.000 0.896 439 L HN 0.291 nan 8.230 nan 0.000 0.432 440 G N -1.220 107.604 108.800 0.040 0.000 2.408 440 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.217 440 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.217 440 G C 1.593 176.554 174.900 0.103 0.000 1.150 440 G CA 0.725 45.853 45.100 0.047 0.000 0.776 440 G HN 0.625 nan 8.290 nan 0.000 0.542 441 A N 0.761 123.642 122.820 0.101 0.000 1.877 441 A HA 0.059 4.379 4.320 -0.001 0.000 0.216 441 A C 2.400 180.153 177.584 0.281 0.000 1.186 441 A CA 1.285 53.427 52.037 0.174 0.000 0.620 441 A CB -0.340 18.770 19.000 0.183 0.000 0.822 441 A HN 0.368 nan 8.150 nan 0.000 0.443 442 I N -1.155 119.535 120.570 0.201 0.000 2.163 442 I HA -0.212 3.957 4.170 -0.001 0.000 0.240 442 I C 2.703 178.843 176.117 0.039 0.000 1.081 442 I CA 1.008 62.346 61.300 0.065 0.000 1.353 442 I CB -0.338 37.614 38.000 -0.080 0.000 1.054 442 I HN 0.176 nan 8.210 nan 0.000 0.407 443 R N 0.266 120.794 120.500 0.047 0.000 2.105 443 R HA -0.171 4.169 4.340 -0.001 0.000 0.239 443 R C 2.190 178.526 176.300 0.058 0.000 1.135 443 R CA 1.505 57.619 56.100 0.024 0.000 0.967 443 R CB -1.115 29.201 30.300 0.026 0.000 0.861 443 R HN 0.314 nan 8.270 nan 0.000 0.442 444 F N 1.092 121.052 119.950 0.017 0.000 2.163 444 F HA -0.142 4.385 4.527 -0.001 0.000 0.297 444 F C 2.689 178.519 175.800 0.050 0.000 1.094 444 F CA 1.548 59.567 58.000 0.032 0.000 1.290 444 F CB -0.368 38.654 39.000 0.037 0.000 1.017 444 F HN -0.014 nan 8.300 nan 0.000 0.483 445 S N -0.014 115.819 115.700 0.221 0.000 2.359 445 S HA -0.206 4.264 4.470 -0.001 0.000 0.224 445 S C 2.104 176.722 174.600 0.031 0.000 1.035 445 S CA 1.538 59.844 58.200 0.177 0.000 1.018 445 S CB -0.293 63.136 63.200 0.381 0.000 0.876 445 S HN 0.300 nan 8.310 nan 0.000 0.448 446 M N 0.730 120.322 119.600 -0.014 0.000 2.446 446 M HA 0.087 4.566 4.480 -0.001 0.000 0.263 446 M C 1.926 178.154 176.300 -0.120 0.000 1.066 446 M CA 0.771 56.022 55.300 -0.082 0.000 1.087 446 M CB -0.977 31.549 32.600 -0.125 0.000 1.406 446 M HN 0.375 nan 8.290 nan 0.000 0.459 447 V N -0.125 119.688 119.914 -0.168 0.000 3.502 447 V HA -0.021 4.099 4.120 -0.001 0.000 0.288 447 V C 1.897 177.860 176.094 -0.219 0.000 1.461 447 V CA 0.381 62.573 62.300 -0.179 0.000 1.029 447 V CB -0.018 31.698 31.823 -0.178 0.000 0.843 447 V HN 0.477 nan 8.190 nan 0.000 0.438 448 K N 0.050 120.241 120.400 -0.350 0.000 2.288 448 K HA 0.029 4.349 4.320 -0.001 0.000 0.201 448 K C 0.533 177.076 176.600 -0.096 0.000 1.048 448 K CA 1.076 57.170 56.287 -0.322 0.000 0.956 448 K CB -0.264 31.977 32.500 -0.432 0.000 0.746 448 K HN 0.419 nan 8.250 nan 0.000 0.461 449 T N 2.702 117.201 114.554 -0.092 0.000 2.799 449 T HA 0.127 4.476 4.350 -0.001 0.000 0.286 449 T C -0.875 173.728 174.700 -0.162 0.000 0.973 449 T CA -0.629 61.411 62.100 -0.099 0.000 1.035 449 T CB 1.370 70.203 68.868 -0.060 0.000 0.932 449 T HN 0.183 nan 8.240 nan 0.000 0.469 450 E N 4.073 124.064 120.200 -0.349 0.000 2.708 450 E HA -0.068 4.282 4.350 -0.001 0.000 0.260 450 E C -1.525 174.982 176.600 -0.154 0.000 0.937 450 E CA -1.065 55.049 56.400 -0.477 0.000 0.953 450 E CB 0.253 29.679 29.700 -0.456 0.000 0.915 450 E HN 0.358 nan 8.360 nan 0.000 0.487 451 P HA -0.214 nan 4.420 nan 0.000 0.216 451 P C 0.554 177.880 177.300 0.044 0.000 1.150 451 P CA 1.475 64.605 63.100 0.049 0.000 0.843 451 P CB 0.204 31.964 31.700 0.100 0.000 0.787 452 K N -0.969 119.433 120.400 0.004 0.000 2.362 452 K HA -0.037 4.282 4.320 -0.001 0.000 0.200 452 K C 0.666 177.261 176.600 -0.008 0.000 1.046 452 K CA 0.819 57.106 56.287 0.001 0.000 0.952 452 K CB -0.128 32.368 32.500 -0.007 0.000 0.753 452 K HN 0.221 nan 8.250 nan 0.000 0.466 453 K N 1.075 121.462 120.400 -0.023 0.000 2.110 453 K HA 0.154 4.473 4.320 -0.001 0.000 0.263 453 K C -0.355 176.244 176.600 -0.001 0.000 0.975 453 K CA -0.509 55.766 56.287 -0.021 0.000 0.895 453 K CB 1.408 33.882 32.500 -0.044 0.000 1.060 453 K HN -0.041 nan 8.250 nan 0.000 0.448 454 Q N 2.072 121.874 119.800 0.003 0.000 2.340 454 Q HA 0.264 4.604 4.340 -0.001 0.000 0.249 454 Q C -0.812 175.195 176.000 0.012 0.000 0.957 454 Q CA -0.073 55.738 55.803 0.014 0.000 0.882 454 Q CB 0.689 29.432 28.738 0.008 0.000 1.235 454 Q HN 0.452 nan 8.270 nan 0.000 0.439 455 I N 1.955 122.539 120.570 0.023 0.000 2.530 455 I HA 0.241 4.411 4.170 -0.001 0.000 0.297 455 I C -0.816 175.323 176.117 0.037 0.000 1.011 455 I CA -0.709 60.608 61.300 0.028 0.000 1.107 455 I CB 1.933 39.955 38.000 0.038 0.000 1.285 455 I HN 0.547 nan 8.210 nan 0.000 0.436 456 D N 5.689 126.110 120.400 0.034 0.000 2.454 456 D HA 0.199 4.839 4.640 -0.001 0.000 0.247 456 D C -1.190 175.130 176.300 0.034 0.000 1.129 456 D CA -0.404 53.614 54.000 0.029 0.000 0.877 456 D CB 0.841 41.641 40.800 0.000 0.000 1.082 456 D HN 0.194 nan 8.370 nan 0.000 0.537 457 F N 4.361 124.261 119.950 -0.083 0.000 2.438 457 F HA 0.352 4.878 4.527 -0.001 0.000 0.360 457 F C 0.066 175.760 175.800 -0.177 0.000 1.118 457 F CA -0.336 57.587 58.000 -0.129 0.000 1.164 457 F CB 0.264 39.163 39.000 -0.168 0.000 1.131 457 F HN 0.129 nan 8.300 nan 0.000 0.527 458 R N 6.171 126.250 120.500 -0.701 0.000 2.393 458 R HA 0.198 4.537 4.340 -0.001 0.000 0.315 458 R C 0.316 176.206 176.300 -0.684 0.000 0.952 458 R CA -0.698 55.106 56.100 -0.493 0.000 0.842 458 R CB 1.039 31.208 30.300 -0.218 0.000 1.163 458 R HN 0.706 nan 8.270 nan 0.000 0.450 459 Y N 1.479 121.543 120.300 -0.393 0.000 2.002 459 Y HA -0.431 4.119 4.550 -0.001 0.000 0.268 459 Y C 2.722 178.514 175.900 -0.180 0.000 1.177 459 Y CA 2.162 60.114 58.100 -0.247 0.000 1.111 459 Y CB -0.182 38.269 38.460 -0.015 0.000 0.952 459 Y HN 0.648 nan 8.280 nan 0.000 0.491 460 Q N 0.213 120.057 119.800 0.073 0.000 2.061 460 Q HA -0.303 4.036 4.340 -0.001 0.000 0.204 460 Q C 2.301 178.289 176.000 -0.020 0.000 0.984 460 Q CA 2.085 57.908 55.803 0.034 0.000 0.846 460 Q CB -0.247 28.508 28.738 0.029 0.000 0.902 460 Q HN 0.625 nan 8.270 nan 0.000 0.421 461 E N -0.653 119.500 120.200 -0.079 0.000 2.058 461 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 461 E C 1.758 178.293 176.600 -0.109 0.000 0.997 461 E CA 1.159 57.503 56.400 -0.093 0.000 0.801 461 E CB -0.194 29.433 29.700 -0.121 0.000 0.746 461 E HN 0.474 nan 8.360 nan 0.000 0.450 462 A N 0.591 123.283 122.820 -0.212 0.000 1.968 462 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 462 A C 2.114 179.679 177.584 -0.031 0.000 1.169 462 A CA 0.760 52.700 52.037 -0.161 0.000 0.638 462 A CB -0.336 18.410 19.000 -0.423 0.000 0.812 462 A HN 0.310 nan 8.150 nan 0.000 0.446 463 L N -0.456 120.766 121.223 -0.003 0.000 2.341 463 L HA 0.034 4.373 4.340 -0.001 0.000 0.214 463 L C 1.406 178.324 176.870 0.079 0.000 1.115 463 L CA 0.133 55.011 54.840 0.063 0.000 0.820 463 L CB -0.130 42.008 42.059 0.131 0.000 0.944 463 L HN 0.333 nan 8.230 nan 0.000 0.452 464 S N -0.313 115.431 115.700 0.074 0.000 2.575 464 S HA -0.070 4.399 4.470 -0.001 0.000 0.295 464 S C 0.871 175.558 174.600 0.145 0.000 1.267 464 S CA -0.320 57.960 58.200 0.134 0.000 1.074 464 S CB 0.140 63.375 63.200 0.059 0.000 0.829 464 S HN 0.164 nan 8.310 nan 0.000 0.497 465 F N 3.285 123.225 119.950 -0.016 0.000 2.699 465 F HA 0.135 4.661 4.527 -0.001 0.000 0.298 465 F C 1.932 177.788 175.800 0.093 0.000 1.154 465 F CA 0.371 58.365 58.000 -0.009 0.000 1.457 465 F CB -0.108 38.778 39.000 -0.189 0.000 1.106 465 F HN 0.568 nan 8.300 nan 0.000 0.585 466 E N -0.754 119.568 120.200 0.203 0.000 2.431 466 E HA 0.184 4.533 4.350 -0.001 0.000 0.200 466 E C 1.621 178.179 176.600 -0.070 0.000 0.995 466 E CA 0.274 56.751 56.400 0.129 0.000 0.915 466 E CB -0.095 29.643 29.700 0.065 0.000 0.930 466 E HN 0.205 nan 8.360 nan 0.000 0.496 467 G N -0.004 108.735 108.800 -0.103 0.000 2.532 467 G HA2 0.128 4.087 3.960 -0.001 0.000 0.291 467 G HA3 0.128 4.087 3.960 -0.001 0.000 0.291 467 G C -0.492 174.184 174.900 -0.373 0.000 1.349 467 G CA -0.602 44.373 45.100 -0.208 0.000 1.038 467 G HN -0.094 nan 8.290 nan 0.000 0.518 468 D N 1.231 121.481 120.400 -0.249 0.000 2.551 468 D HA 0.257 4.896 4.640 -0.001 0.000 0.223 468 D C 0.688 176.977 176.300 -0.018 0.000 1.144 468 D CA 0.346 54.241 54.000 -0.174 0.000 1.025 468 D CB 0.133 40.912 40.800 -0.035 0.000 1.085 468 D HN 0.426 nan 8.370 nan 0.000 0.506 469 T N -3.835 110.639 114.554 -0.133 0.000 2.864 469 T HA 0.525 4.875 4.350 -0.001 0.000 0.289 469 T C 1.399 175.761 174.700 -0.564 0.000 1.082 469 T CA -0.702 61.314 62.100 -0.139 0.000 1.009 469 T CB 1.706 70.533 68.868 -0.069 0.000 1.234 469 T HN 0.035 nan 8.240 nan 0.000 0.526 470 G N 0.436 108.973 108.800 -0.438 0.000 2.404 470 G HA2 0.021 3.980 3.960 -0.001 0.000 0.215 470 G HA3 0.021 3.980 3.960 -0.001 0.000 0.215 470 G C -0.968 173.732 174.900 -0.334 0.000 1.174 470 G CA 0.617 45.433 45.100 -0.474 0.000 0.780 470 G HN 0.629 nan 8.290 nan 0.000 0.537 471 P HA -0.140 nan 4.420 nan 0.000 0.218 471 P C 1.335 178.380 177.300 -0.426 0.000 1.148 471 P CA 0.766 63.550 63.100 -0.528 0.000 0.822 471 P CB -0.080 31.123 31.700 -0.828 0.000 0.784 472 Y N 0.472 120.554 120.300 -0.364 0.000 2.097 472 Y HA -0.227 4.322 4.550 -0.001 0.000 0.282 472 Y C 2.022 177.866 175.900 -0.094 0.000 1.152 472 Y CA 1.533 59.534 58.100 -0.165 0.000 1.136 472 Y CB -1.057 37.313 38.460 -0.150 0.000 0.975 472 Y HN -0.275 nan 8.280 nan 0.000 0.498 473 V N 0.755 120.554 119.914 -0.192 0.000 2.427 473 V HA -0.323 3.797 4.120 -0.001 0.000 0.248 473 V C 2.234 178.231 176.094 -0.162 0.000 1.051 473 V CA 2.225 64.390 62.300 -0.225 0.000 1.048 473 V CB -0.820 30.863 31.823 -0.232 0.000 0.666 473 V HN 0.462 nan 8.190 nan 0.000 0.456 474 Q N -1.151 118.559 119.800 -0.151 0.000 2.084 474 Q HA -0.243 4.096 4.340 -0.001 0.000 0.202 474 Q C 2.224 178.233 176.000 0.015 0.000 0.978 474 Q CA 2.161 57.915 55.803 -0.082 0.000 0.844 474 Q CB -0.315 28.358 28.738 -0.108 0.000 0.898 474 Q HN 0.751 nan 8.270 nan 0.000 0.426 475 Y N 0.842 121.079 120.300 -0.105 0.000 2.224 475 Y HA -0.208 4.341 4.550 -0.001 0.000 0.289 475 Y C 2.194 178.081 175.900 -0.022 0.000 1.146 475 Y CA 1.200 59.308 58.100 0.015 0.000 1.182 475 Y CB -0.361 38.168 38.460 0.115 0.000 0.983 475 Y HN 0.088 nan 8.280 nan 0.000 0.524 476 A N -0.579 122.181 122.820 -0.101 0.000 1.933 476 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 476 A C 2.310 179.726 177.584 -0.280 0.000 1.175 476 A CA 1.843 53.820 52.037 -0.100 0.000 0.628 476 A CB -1.245 17.709 19.000 -0.076 0.000 0.814 476 A HN 0.725 nan 8.150 nan 0.000 0.444 477 H N 0.087 118.983 119.070 -0.290 0.000 2.326 477 H HA -0.019 4.536 4.556 -0.001 0.000 0.301 477 H C 2.219 177.408 175.328 -0.232 0.000 1.081 477 H CA 1.718 57.594 56.048 -0.288 0.000 1.334 477 H CB -0.239 29.402 29.762 -0.200 0.000 1.385 477 H HN 0.386 nan 8.280 nan 0.000 0.504 478 A N 1.123 123.862 122.820 -0.135 0.000 1.933 478 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 478 A C 2.576 180.012 177.584 -0.246 0.000 1.175 478 A CA 1.538 53.487 52.037 -0.147 0.000 0.628 478 A CB -0.562 18.404 19.000 -0.056 0.000 0.814 478 A HN 0.418 nan 8.150 nan 0.000 0.444 479 R N -0.067 120.211 120.500 -0.371 0.000 2.073 479 R HA -0.037 4.303 4.340 -0.001 0.000 0.234 479 R C 2.244 178.462 176.300 -0.137 0.000 1.134 479 R CA 1.806 57.725 56.100 -0.303 0.000 0.952 479 R CB -0.620 29.478 30.300 -0.338 0.000 0.850 479 R HN 0.391 nan 8.270 nan 0.000 0.433 480 A N 0.026 122.674 122.820 -0.286 0.000 1.902 480 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 480 A C 2.199 179.600 177.584 -0.306 0.000 1.181 480 A CA 1.751 53.513 52.037 -0.459 0.000 0.623 480 A CB -1.022 17.331 19.000 -1.078 0.000 0.818 480 A HN 0.592 nan 8.150 nan 0.000 0.443 481 H N 0.896 119.705 119.070 -0.435 0.000 2.387 481 H HA -0.118 4.437 4.556 -0.001 0.000 0.299 481 H C 2.429 177.660 175.328 -0.163 0.000 1.090 481 H CA 2.067 57.924 56.048 -0.317 0.000 1.332 481 H CB -0.071 29.457 29.762 -0.389 0.000 1.386 481 H HN 0.599 nan 8.280 nan 0.000 0.516 482 S N 0.214 115.907 115.700 -0.011 0.000 2.399 482 S HA -0.104 4.365 4.470 -0.001 0.000 0.231 482 S C 2.359 176.939 174.600 -0.034 0.000 1.022 482 S CA 1.173 59.375 58.200 0.004 0.000 0.983 482 S CB -0.715 62.482 63.200 -0.006 0.000 0.803 482 S HN 0.417 nan 8.310 nan 0.000 0.480 483 I N 1.548 122.095 120.570 -0.039 0.000 2.179 483 I HA -0.143 4.027 4.170 -0.001 0.000 0.242 483 I C 2.404 178.468 176.117 -0.088 0.000 1.088 483 I CA 1.233 62.520 61.300 -0.022 0.000 1.357 483 I CB -0.473 37.554 38.000 0.045 0.000 1.051 483 I HN 0.284 nan 8.210 nan 0.000 0.409 484 L N 0.145 121.272 121.223 -0.159 0.000 2.131 484 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 484 L C 2.746 179.558 176.870 -0.096 0.000 1.092 484 L CA 1.155 55.904 54.840 -0.151 0.000 0.759 484 L CB -0.651 41.281 42.059 -0.212 0.000 0.903 484 L HN 0.229 nan 8.230 nan 0.000 0.435 485 R N 0.908 121.319 120.500 -0.147 0.000 2.073 485 R HA -0.169 4.171 4.340 -0.001 0.000 0.234 485 R C 2.266 178.558 176.300 -0.013 0.000 1.134 485 R CA 1.533 57.591 56.100 -0.070 0.000 0.952 485 R CB 0.032 30.317 30.300 -0.026 0.000 0.850 485 R HN 0.269 nan 8.270 nan 0.000 0.433 486 K N -0.523 119.869 120.400 -0.014 0.000 2.217 486 K HA -0.006 4.313 4.320 -0.001 0.000 0.202 486 K C 1.894 178.500 176.600 0.010 0.000 1.051 486 K CA 1.050 57.338 56.287 0.001 0.000 0.952 486 K CB 0.082 32.582 32.500 0.001 0.000 0.736 486 K HN 0.190 nan 8.250 nan 0.000 0.453 487 A N 1.167 123.991 122.820 0.007 0.000 1.930 487 A HA 0.181 4.500 4.320 -0.001 0.000 0.215 487 A C 1.298 178.947 177.584 0.108 0.000 1.176 487 A CA 1.263 53.319 52.037 0.033 0.000 0.632 487 A CB -0.691 18.290 19.000 -0.032 0.000 0.819 487 A HN 0.393 nan 8.150 nan 0.000 0.445 488 G N -0.634 108.241 108.800 0.125 0.000 2.525 488 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.248 488 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.248 488 G C -0.457 174.581 174.900 0.229 0.000 1.238 488 G CA 0.005 45.181 45.100 0.128 0.000 0.926 488 G HN 0.459 nan 8.290 nan 0.000 0.574 489 E N 0.201 120.480 120.200 0.131 0.000 2.373 489 E HA 0.530 4.880 4.350 -0.001 0.000 0.263 489 E C 0.045 176.778 176.600 0.222 0.000 1.073 489 E CA 0.519 56.954 56.400 0.059 0.000 0.894 489 E CB 1.166 30.836 29.700 -0.050 0.000 1.008 489 E HN 0.784 nan 8.360 nan 0.000 0.420 490 W N -0.482 120.809 121.300 -0.014 0.000 3.075 490 W HA 0.697 5.356 4.660 -0.001 0.000 0.334 490 W C -0.279 176.236 176.519 -0.006 0.000 1.243 490 W CA -0.962 56.378 57.345 -0.009 0.000 1.170 490 W CB 0.275 29.731 29.460 -0.007 0.000 1.452 490 W HN 0.503 nan 8.180 nan 0.000 0.572 491 G N 0.278 109.202 108.800 0.206 0.000 2.641 491 G HA2 0.554 4.514 3.960 -0.001 0.000 0.239 491 G HA3 0.554 4.514 3.960 -0.001 0.000 0.239 491 G C -0.556 174.437 174.900 0.155 0.000 1.402 491 G CA -0.602 44.548 45.100 0.083 0.000 1.046 491 G HN 1.073 nan 8.290 nan 0.000 0.565 492 A N 0.418 123.293 122.820 0.093 0.000 2.520 492 A HA 0.505 4.825 4.320 -0.001 0.000 0.245 492 A C -2.112 175.553 177.584 0.135 0.000 1.072 492 A CA -0.474 51.621 52.037 0.098 0.000 0.761 492 A CB -0.381 18.652 19.000 0.056 0.000 1.004 492 A HN 0.348 nan 8.150 nan 0.000 0.499 493 P HA 0.193 nan 4.420 nan 0.000 0.275 493 P C -0.800 176.551 177.300 0.085 0.000 1.227 493 P CA -0.085 63.092 63.100 0.128 0.000 0.781 493 P CB 0.677 32.457 31.700 0.133 0.000 0.906 494 D N 2.640 123.082 120.400 0.070 0.000 2.485 494 D HA 0.113 4.753 4.640 -0.001 0.000 0.229 494 D C 1.116 177.448 176.300 0.054 0.000 1.101 494 D CA -0.167 53.867 54.000 0.056 0.000 0.906 494 D CB 0.040 40.868 40.800 0.048 0.000 1.019 494 D HN 0.191 nan 8.370 nan 0.000 0.516 495 L N 2.033 123.290 121.223 0.056 0.000 2.187 495 L HA -0.201 4.139 4.340 -0.001 0.000 0.213 495 L C 2.335 179.236 176.870 0.052 0.000 1.100 495 L CA 1.286 56.160 54.840 0.056 0.000 0.765 495 L CB -0.663 41.429 42.059 0.055 0.000 0.904 495 L HN 0.365 nan 8.230 nan 0.000 0.437 496 S N -0.748 114.979 115.700 0.046 0.000 2.447 496 S HA -0.203 4.267 4.470 -0.001 0.000 0.233 496 S C 1.686 176.311 174.600 0.042 0.000 1.006 496 S CA 0.741 58.966 58.200 0.042 0.000 0.957 496 S CB -0.258 62.964 63.200 0.036 0.000 0.773 496 S HN 0.551 nan 8.310 nan 0.000 0.507 497 Q N 0.962 120.788 119.800 0.044 0.000 2.403 497 Q HA 0.410 4.750 4.340 -0.001 0.000 0.203 497 Q C 0.605 176.638 176.000 0.055 0.000 0.932 497 Q CA 0.102 55.931 55.803 0.043 0.000 0.945 497 Q CB 0.051 28.811 28.738 0.038 0.000 1.045 497 Q HN 0.727 nan 8.270 nan 0.000 0.511 498 A N 1.684 124.541 122.820 0.062 0.000 2.511 498 A HA 0.201 4.520 4.320 -0.001 0.000 0.242 498 A C 0.637 178.272 177.584 0.085 0.000 1.069 498 A CA 0.171 52.255 52.037 0.080 0.000 0.763 498 A CB 0.157 19.202 19.000 0.075 0.000 1.001 498 A HN 0.271 nan 8.150 nan 0.000 0.498 499 T N -0.218 114.408 114.554 0.120 0.000 2.937 499 T HA 0.590 4.939 4.350 -0.001 0.000 0.283 499 T C -2.132 172.635 174.700 0.111 0.000 1.012 499 T CA -1.708 60.467 62.100 0.125 0.000 0.997 499 T CB 1.199 70.187 68.868 0.201 0.000 1.136 499 T HN 0.240 nan 8.240 nan 0.000 0.551 500 P HA -0.018 nan 4.420 nan 0.000 0.221 500 P C 0.629 177.912 177.300 -0.028 0.000 1.145 500 P CA 1.035 64.106 63.100 -0.049 0.000 0.795 500 P CB -0.218 31.387 31.700 -0.158 0.000 0.775 501 Y N -0.285 120.083 120.300 0.113 0.000 2.220 501 Y HA -0.162 4.387 4.550 -0.001 0.000 0.291 501 Y C 2.379 178.437 175.900 0.264 0.000 1.129 501 Y CA 1.076 59.309 58.100 0.222 0.000 1.161 501 Y CB -0.599 38.002 38.460 0.234 0.000 0.997 501 Y HN -0.072 nan 8.280 nan 0.000 0.522 502 E N 0.008 120.434 120.200 0.377 0.000 2.072 502 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 502 E C 2.167 178.814 176.600 0.079 0.000 0.985 502 E CA 0.951 57.466 56.400 0.192 0.000 0.801 502 E CB -0.198 29.603 29.700 0.168 0.000 0.750 502 E HN 0.249 nan 8.360 nan 0.000 0.452 503 R N 0.282 120.833 120.500 0.084 0.000 2.070 503 R HA -0.128 4.211 4.340 -0.001 0.000 0.233 503 R C 2.163 178.482 176.300 0.031 0.000 1.137 503 R CA 1.542 57.670 56.100 0.047 0.000 0.945 503 R CB -0.328 29.994 30.300 0.037 0.000 0.845 503 R HN 0.217 nan 8.270 nan 0.000 0.430 504 A N 1.153 123.994 122.820 0.034 0.000 1.908 504 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 504 A C 2.053 179.654 177.584 0.028 0.000 1.181 504 A CA 1.434 53.487 52.037 0.026 0.000 0.627 504 A CB -0.645 18.374 19.000 0.032 0.000 0.818 504 A HN 0.410 nan 8.150 nan 0.000 0.445 505 L N -0.361 120.862 121.223 0.001 0.000 2.056 505 L HA 0.022 4.361 4.340 -0.001 0.000 0.207 505 L C 2.661 179.515 176.870 -0.027 0.000 1.078 505 L CA 2.145 56.947 54.840 -0.063 0.000 0.749 505 L CB -0.909 40.951 42.059 -0.332 0.000 0.901 505 L HN 0.333 nan 8.230 nan 0.000 0.433 506 A N -0.557 122.250 122.820 -0.021 0.000 1.908 506 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 506 A C 2.245 179.862 177.584 0.055 0.000 1.181 506 A CA 1.992 54.038 52.037 0.015 0.000 0.627 506 A CB -1.052 17.962 19.000 0.023 0.000 0.818 506 A HN 0.477 nan 8.150 nan 0.000 0.445 507 L N 0.151 121.405 121.223 0.051 0.000 2.046 507 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 507 L C 1.552 178.494 176.870 0.119 0.000 1.077 507 L CA 2.364 57.244 54.840 0.066 0.000 0.747 507 L CB -0.700 41.362 42.059 0.005 0.000 0.896 507 L HN 0.349 nan 8.230 nan 0.000 0.432 508 D N -0.700 119.771 120.400 0.117 0.000 2.178 508 D HA -0.159 4.481 4.640 -0.001 0.000 0.202 508 D C 2.323 178.800 176.300 0.295 0.000 0.974 508 D CA 1.158 55.273 54.000 0.192 0.000 0.841 508 D CB -0.056 40.821 40.800 0.128 0.000 0.953 508 D HN 0.365 nan 8.370 nan 0.000 0.478 509 L N 0.361 121.707 121.223 0.206 0.000 2.201 509 L HA -0.069 4.270 4.340 -0.001 0.000 0.212 509 L C 2.256 179.268 176.870 0.236 0.000 1.105 509 L CA 0.388 55.363 54.840 0.224 0.000 0.775 509 L CB -0.129 41.991 42.059 0.102 0.000 0.913 509 L HN 0.027 nan 8.230 nan 0.000 0.440 510 L N -0.656 120.685 121.223 0.198 0.000 2.551 510 L HA -0.119 4.220 4.340 -0.001 0.000 0.228 510 L C 1.179 178.147 176.870 0.164 0.000 1.153 510 L CA 0.523 55.464 54.840 0.168 0.000 0.851 510 L CB -0.413 41.757 42.059 0.184 0.000 0.959 510 L HN 0.279 nan 8.230 nan 0.000 0.451 511 D N -0.773 119.749 120.400 0.202 0.000 2.339 511 D HA -0.071 4.569 4.640 -0.001 0.000 0.217 511 D C 1.698 177.824 176.300 -0.290 0.000 1.050 511 D CA 0.206 54.253 54.000 0.077 0.000 0.856 511 D CB 0.251 41.194 40.800 0.238 0.000 0.922 511 D HN 0.175 nan 8.370 nan 0.000 0.518 512 F N 2.507 122.201 119.950 -0.426 0.000 2.069 512 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 512 F C 1.974 177.579 175.800 -0.325 0.000 1.113 512 F CA 1.590 59.189 58.000 -0.668 0.000 1.214 512 F CB -0.026 38.887 39.000 -0.144 0.000 0.978 512 F HN -0.136 nan 8.300 nan 0.000 0.474 513 E N -0.423 119.594 120.200 -0.304 0.000 2.110 513 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 513 E C 2.016 178.470 176.600 -0.244 0.000 0.988 513 E CA 1.316 57.586 56.400 -0.217 0.000 0.804 513 E CB -0.269 29.527 29.700 0.159 0.000 0.745 513 E HN 0.406 nan 8.360 nan 0.000 0.458 514 E N 1.087 121.152 120.200 -0.225 0.000 2.106 514 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 514 E C 1.834 178.287 176.600 -0.245 0.000 0.984 514 E CA 1.239 57.519 56.400 -0.199 0.000 0.806 514 E CB -0.169 29.450 29.700 -0.134 0.000 0.750 514 E HN 0.222 nan 8.360 nan 0.000 0.458 515 A N -0.041 122.571 122.820 -0.347 0.000 1.933 515 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 515 A C 2.460 179.864 177.584 -0.301 0.000 1.175 515 A CA 1.577 53.431 52.037 -0.304 0.000 0.628 515 A CB -0.671 18.086 19.000 -0.405 0.000 0.814 515 A HN 0.194 nan 8.150 nan 0.000 0.444 516 V N 0.093 119.750 119.914 -0.429 0.000 2.307 516 V HA -0.226 3.894 4.120 -0.001 0.000 0.245 516 V C 2.543 178.485 176.094 -0.254 0.000 1.045 516 V CA 1.875 63.967 62.300 -0.347 0.000 1.024 516 V CB -0.724 30.849 31.823 -0.416 0.000 0.651 516 V HN 0.560 nan 8.190 nan 0.000 0.449 517 L N -0.123 120.924 121.223 -0.293 0.000 2.093 517 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 517 L C 2.592 179.331 176.870 -0.218 0.000 1.085 517 L CA 1.873 56.532 54.840 -0.302 0.000 0.755 517 L CB -0.547 41.291 42.059 -0.367 0.000 0.904 517 L HN 0.456 nan 8.230 nan 0.000 0.435 518 E N 0.727 120.812 120.200 -0.191 0.000 2.072 518 E HA -0.227 4.122 4.350 -0.001 0.000 0.191 518 E C 2.236 178.743 176.600 -0.154 0.000 0.985 518 E CA 1.174 57.484 56.400 -0.150 0.000 0.801 518 E CB 0.018 29.643 29.700 -0.124 0.000 0.750 518 E HN 0.415 nan 8.360 nan 0.000 0.452 519 A N 1.239 123.957 122.820 -0.171 0.000 1.933 519 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 519 A C 2.389 179.888 177.584 -0.142 0.000 1.175 519 A CA 1.891 53.825 52.037 -0.171 0.000 0.628 519 A CB -0.772 18.128 19.000 -0.167 0.000 0.814 519 A HN 0.439 nan 8.150 nan 0.000 0.444 520 A N -0.110 122.625 122.820 -0.142 0.000 1.873 520 A HA -0.133 4.186 4.320 -0.001 0.000 0.215 520 A C 1.912 179.419 177.584 -0.129 0.000 1.186 520 A CA 1.550 53.514 52.037 -0.123 0.000 0.616 520 A CB -0.536 18.387 19.000 -0.130 0.000 0.823 520 A HN 0.617 nan 8.150 nan 0.000 0.442 521 E N -0.286 119.830 120.200 -0.141 0.000 2.106 521 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 521 E C 1.424 177.944 176.600 -0.133 0.000 0.984 521 E CA 1.135 57.455 56.400 -0.133 0.000 0.806 521 E CB -0.044 29.581 29.700 -0.125 0.000 0.750 521 E HN 0.517 nan 8.360 nan 0.000 0.458 522 E N 0.170 120.297 120.200 -0.122 0.000 2.472 522 E HA 0.084 4.433 4.350 -0.001 0.000 0.196 522 E C -0.109 176.430 176.600 -0.102 0.000 1.033 522 E CA -0.053 56.285 56.400 -0.104 0.000 0.886 522 E CB 0.294 29.946 29.700 -0.080 0.000 0.944 522 E HN 0.131 nan 8.360 nan 0.000 0.492 523 R N 0.773 121.205 120.500 -0.113 0.000 3.336 523 R HA -0.111 4.228 4.340 -0.001 0.000 0.260 523 R C -0.591 175.677 176.300 -0.053 0.000 1.032 523 R CA 1.047 57.096 56.100 -0.086 0.000 0.693 523 R CB -2.622 27.622 30.300 -0.094 0.000 1.134 523 R HN 0.196 nan 8.270 nan 0.000 0.433 524 T N -3.960 110.535 114.554 -0.097 0.000 3.141 524 T HA 0.389 4.738 4.350 -0.001 0.000 0.377 524 T C -2.109 172.447 174.700 -0.240 0.000 1.258 524 T CA -1.907 60.115 62.100 -0.131 0.000 1.263 524 T CB 1.994 70.725 68.868 -0.229 0.000 1.066 524 T HN -0.222 nan 8.240 nan 0.000 0.546 525 P HA -0.185 nan 4.420 nan 0.000 0.219 525 P C 1.764 178.986 177.300 -0.131 0.000 1.146 525 P CA 1.028 64.060 63.100 -0.114 0.000 0.808 525 P CB -0.150 31.506 31.700 -0.073 0.000 0.779 526 H N -1.402 117.625 119.070 -0.071 0.000 2.489 526 H HA -0.046 4.510 4.556 -0.001 0.000 0.295 526 H C 1.429 176.743 175.328 -0.023 0.000 1.082 526 H CA 0.961 56.963 56.048 -0.077 0.000 1.295 526 H CB -1.159 28.565 29.762 -0.063 0.000 1.380 526 H HN -0.000 nan 8.280 nan 0.000 0.548 527 V N 1.631 121.250 119.914 -0.492 0.000 2.427 527 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 527 V C 2.944 179.024 176.094 -0.024 0.000 1.051 527 V CA 1.249 63.409 62.300 -0.233 0.000 1.048 527 V CB -0.545 31.104 31.823 -0.290 0.000 0.666 527 V HN 0.352 nan 8.190 nan 0.000 0.456 528 L N -0.069 121.131 121.223 -0.038 0.000 2.072 528 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 528 L C 2.604 179.587 176.870 0.188 0.000 1.079 528 L CA 1.690 56.577 54.840 0.079 0.000 0.752 528 L CB -0.570 41.498 42.059 0.016 0.000 0.906 528 L HN 0.363 nan 8.230 nan 0.000 0.436 529 A N -0.351 122.521 122.820 0.085 0.000 1.883 529 A HA -0.322 3.997 4.320 -0.001 0.000 0.217 529 A C 2.096 179.836 177.584 0.260 0.000 1.186 529 A CA 2.041 54.133 52.037 0.091 0.000 0.624 529 A CB -0.656 18.156 19.000 -0.313 0.000 0.822 529 A HN 0.526 nan 8.150 nan 0.000 0.444 530 Q N -1.461 118.453 119.800 0.190 0.000 2.124 530 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 530 Q C 1.821 177.958 176.000 0.229 0.000 0.977 530 Q CA 2.226 58.158 55.803 0.215 0.000 0.850 530 Q CB -0.682 28.166 28.738 0.184 0.000 0.901 530 Q HN 0.740 nan 8.270 nan 0.000 0.429 531 Y N 0.066 120.455 120.300 0.149 0.000 2.181 531 Y HA -0.166 4.383 4.550 -0.001 0.000 0.288 531 Y C 1.567 177.584 175.900 0.195 0.000 1.146 531 Y CA 1.656 59.852 58.100 0.159 0.000 1.164 531 Y CB -0.185 38.364 38.460 0.148 0.000 0.982 531 Y HN 0.156 nan 8.280 nan 0.000 0.515 532 L N -0.610 120.684 121.223 0.118 0.000 2.093 532 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 532 L C 2.458 179.349 176.870 0.035 0.000 1.085 532 L CA 1.036 55.902 54.840 0.043 0.000 0.755 532 L CB -0.591 41.614 42.059 0.243 0.000 0.904 532 L HN 0.308 nan 8.230 nan 0.000 0.435 533 L N -0.452 120.867 121.223 0.159 0.000 2.027 533 L HA -0.222 4.118 4.340 -0.001 0.000 0.206 533 L C 2.298 179.248 176.870 0.134 0.000 1.074 533 L CA 1.174 56.129 54.840 0.191 0.000 0.745 533 L CB -0.559 41.631 42.059 0.219 0.000 0.898 533 L HN 0.289 nan 8.230 nan 0.000 0.433 534 D N -0.075 120.349 120.400 0.041 0.000 2.117 534 D HA -0.190 4.449 4.640 -0.001 0.000 0.197 534 D C 2.053 178.324 176.300 -0.048 0.000 0.987 534 D CA 1.086 55.092 54.000 0.010 0.000 0.829 534 D CB -0.138 40.664 40.800 0.005 0.000 0.961 534 D HN 0.138 nan 8.370 nan 0.000 0.460 535 L N 0.878 121.960 121.223 -0.236 0.000 2.056 535 L HA -0.005 4.334 4.340 -0.001 0.000 0.207 535 L C 2.121 178.990 176.870 -0.002 0.000 1.078 535 L CA 1.510 56.227 54.840 -0.205 0.000 0.749 535 L CB -0.694 41.101 42.059 -0.440 0.000 0.901 535 L HN -0.040 nan 8.230 nan 0.000 0.433 536 A N -0.632 122.199 122.820 0.019 0.000 1.930 536 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 536 A C 2.423 180.110 177.584 0.172 0.000 1.175 536 A CA 1.578 53.653 52.037 0.062 0.000 0.627 536 A CB -1.009 17.949 19.000 -0.070 0.000 0.815 536 A HN 0.540 nan 8.150 nan 0.000 0.443 537 A N -0.864 122.105 122.820 0.249 0.000 1.930 537 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 537 A C 2.466 180.160 177.584 0.184 0.000 1.175 537 A CA 2.028 54.227 52.037 0.270 0.000 0.627 537 A CB -0.864 18.264 19.000 0.214 0.000 0.815 537 A HN 0.552 nan 8.150 nan 0.000 0.443 538 S N -1.395 114.398 115.700 0.156 0.000 2.368 538 S HA -0.176 4.294 4.470 -0.001 0.000 0.224 538 S C 1.785 176.513 174.600 0.213 0.000 1.029 538 S CA 1.384 59.676 58.200 0.153 0.000 0.988 538 S CB -0.491 62.776 63.200 0.111 0.000 0.838 538 S HN 0.757 nan 8.310 nan 0.000 0.462 539 W N 2.116 123.446 121.300 0.050 0.000 2.358 539 W HA -0.137 4.522 4.660 -0.001 0.000 0.303 539 W C 1.632 178.251 176.519 0.167 0.000 1.208 539 W CA 1.268 58.660 57.345 0.078 0.000 1.274 539 W CB -0.754 28.693 29.460 -0.022 0.000 1.138 539 W HN 0.344 nan 8.180 nan 0.000 0.515 540 N N 1.189 119.829 118.700 -0.101 0.000 2.120 540 N HA -0.156 4.584 4.740 -0.001 0.000 0.188 540 N C 1.969 177.438 175.510 -0.068 0.000 1.024 540 N CA 2.246 55.191 53.050 -0.174 0.000 0.852 540 N CB -0.980 37.529 38.487 0.037 0.000 1.003 540 N HN 0.218 nan 8.380 nan 0.000 0.424 541 A N 0.265 123.109 122.820 0.039 0.000 1.933 541 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 541 A C 2.159 179.775 177.584 0.053 0.000 1.175 541 A CA 1.067 53.144 52.037 0.065 0.000 0.628 541 A CB -0.921 18.147 19.000 0.113 0.000 0.814 541 A HN 0.416 nan 8.150 nan 0.000 0.444 542 Y N -1.251 119.003 120.300 -0.076 0.000 2.114 542 Y HA -0.269 4.281 4.550 -0.001 0.000 0.284 542 Y C 2.243 177.967 175.900 -0.295 0.000 1.143 542 Y CA 2.078 60.115 58.100 -0.105 0.000 1.135 542 Y CB -0.729 37.705 38.460 -0.043 0.000 0.980 542 Y HN 0.419 nan 8.280 nan 0.000 0.499 543 Y N 1.183 121.125 120.300 -0.597 0.000 2.181 543 Y HA -0.233 4.316 4.550 -0.001 0.000 0.288 543 Y C 1.963 177.581 175.900 -0.469 0.000 1.146 543 Y CA 2.154 59.817 58.100 -0.728 0.000 1.164 543 Y CB -0.502 37.383 38.460 -0.958 0.000 0.982 543 Y HN 0.172 nan 8.280 nan 0.000 0.515 544 N N 0.836 119.409 118.700 -0.212 0.000 2.494 544 N HA 0.048 4.788 4.740 -0.001 0.000 0.182 544 N C 0.409 175.780 175.510 -0.232 0.000 1.076 544 N CA 0.778 53.720 53.050 -0.179 0.000 0.908 544 N CB -0.511 37.961 38.487 -0.025 0.000 0.967 544 N HN 0.306 nan 8.380 nan 0.000 0.449 545 A N 1.406 124.055 122.820 -0.286 0.000 2.565 545 A HA 0.156 4.475 4.320 -0.001 0.000 0.237 545 A C 0.431 177.836 177.584 -0.299 0.000 1.053 545 A CA 0.484 52.364 52.037 -0.261 0.000 0.755 545 A CB 0.136 18.887 19.000 -0.414 0.000 0.980 545 A HN 0.227 nan 8.150 nan 0.000 0.506 546 R N 1.202 121.600 120.500 -0.170 0.000 2.740 546 R HA 0.649 4.989 4.340 -0.001 0.000 0.273 546 R C -1.267 174.988 176.300 -0.074 0.000 0.998 546 R CA -0.636 55.376 56.100 -0.148 0.000 0.900 546 R CB 2.409 32.639 30.300 -0.117 0.000 1.223 546 R HN 0.876 nan 8.270 nan 0.000 0.466 547 E N 0.783 120.941 120.200 -0.070 0.000 2.363 547 E HA 0.173 4.523 4.350 -0.001 0.000 0.281 547 E C -1.197 175.382 176.600 -0.036 0.000 0.953 547 E CA -0.741 55.642 56.400 -0.027 0.000 0.778 547 E CB 2.119 31.824 29.700 0.009 0.000 1.220 547 E HN 0.702 nan 8.360 nan 0.000 0.431 548 N N 1.113 119.799 118.700 -0.023 0.000 2.727 548 N HA -0.265 4.474 4.740 -0.001 0.000 0.249 548 N C 0.516 176.005 175.510 -0.034 0.000 1.048 548 N CA 0.418 53.454 53.050 -0.024 0.000 0.714 548 N CB -0.758 37.717 38.487 -0.021 0.000 0.959 548 N HN 0.947 nan 8.380 nan 0.000 0.544 549 G N -0.327 108.450 108.800 -0.038 0.000 2.179 549 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.257 549 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.257 549 G C -0.152 174.713 174.900 -0.058 0.000 1.010 549 G CA 1.062 46.136 45.100 -0.043 0.000 0.736 549 G HN 0.858 nan 8.290 nan 0.000 0.513 550 Q N -1.905 117.851 119.800 -0.074 0.000 2.534 550 Q HA 0.677 5.016 4.340 -0.001 0.000 0.290 550 Q C -3.355 172.561 176.000 -0.140 0.000 0.991 550 Q CA -2.399 53.346 55.803 -0.097 0.000 0.783 550 Q CB 1.570 30.256 28.738 -0.086 0.000 1.470 550 Q HN 0.082 nan 8.270 nan 0.000 0.406 551 P HA 0.045 nan 4.420 nan 0.000 0.265 551 P C -0.457 176.676 177.300 -0.279 0.000 1.193 551 P CA 0.403 63.345 63.100 -0.262 0.000 0.765 551 P CB 0.771 32.297 31.700 -0.291 0.000 0.823 552 A N 2.478 125.074 122.820 -0.372 0.000 2.220 552 A HA 0.079 4.398 4.320 -0.001 0.000 0.211 552 A C 1.452 178.697 177.584 -0.566 0.000 1.176 552 A CA 1.028 52.820 52.037 -0.408 0.000 0.834 552 A CB -0.336 18.403 19.000 -0.434 0.000 0.868 552 A HN 0.483 nan 8.150 nan 0.000 0.488 553 T N 1.508 115.677 114.554 -0.641 0.000 3.487 553 T HA 0.252 4.601 4.350 -0.001 0.000 0.287 553 T C -2.755 171.650 174.700 -0.492 0.000 1.004 553 T CA -1.297 60.399 62.100 -0.673 0.000 0.977 553 T CB -0.071 68.101 68.868 -1.160 0.000 1.180 553 T HN 0.253 nan 8.240 nan 0.000 0.490 554 P HA 0.135 nan 4.420 nan 0.000 0.266 554 P C 0.777 177.970 177.300 -0.179 0.000 1.195 554 P CA -0.038 62.902 63.100 -0.267 0.000 0.768 554 P CB 1.685 33.259 31.700 -0.210 0.000 0.838 555 V N 3.408 123.242 119.914 -0.135 0.000 2.484 555 V HA -0.080 4.040 4.120 -0.001 0.000 0.236 555 V C 2.511 178.552 176.094 -0.089 0.000 1.062 555 V CA 0.948 63.192 62.300 -0.093 0.000 1.081 555 V CB -1.022 30.763 31.823 -0.062 0.000 0.751 555 V HN 0.415 nan 8.190 nan 0.000 0.484 556 L N 1.233 122.410 121.223 -0.076 0.000 2.265 556 L HA -0.099 4.241 4.340 -0.001 0.000 0.215 556 L C 2.244 179.082 176.870 -0.053 0.000 1.117 556 L CA 1.911 56.715 54.840 -0.060 0.000 0.782 556 L CB -0.878 41.155 42.059 -0.043 0.000 0.914 556 L HN 0.595 nan 8.230 nan 0.000 0.441 557 T N -3.462 111.053 114.554 -0.065 0.000 3.105 557 T HA 0.430 4.780 4.350 -0.001 0.000 0.253 557 T C 0.668 175.334 174.700 -0.058 0.000 1.047 557 T CA -0.014 62.051 62.100 -0.058 0.000 0.944 557 T CB 0.113 68.940 68.868 -0.068 0.000 1.016 557 T HN 0.159 nan 8.240 nan 0.000 0.544 558 A N 3.403 126.186 122.820 -0.062 0.000 2.371 558 A HA 0.628 4.947 4.320 -0.001 0.000 0.257 558 A C -1.937 175.628 177.584 -0.032 0.000 1.089 558 A CA -1.573 50.433 52.037 -0.052 0.000 0.794 558 A CB 0.093 19.059 19.000 -0.056 0.000 1.029 558 A HN 0.325 nan 8.150 nan 0.000 0.488 559 P HA 0.084 nan 4.420 nan 0.000 0.272 559 P C -0.188 177.112 177.300 0.000 0.000 1.240 559 P CA -0.412 62.683 63.100 -0.009 0.000 0.791 559 P CB 0.381 32.077 31.700 -0.006 0.000 0.978 560 E N -0.174 120.031 120.200 0.008 0.000 2.568 560 E HA 0.088 4.438 4.350 -0.001 0.000 0.262 560 E C 1.166 177.781 176.600 0.024 0.000 0.961 560 E CA 1.203 57.615 56.400 0.020 0.000 0.945 560 E CB -0.543 29.171 29.700 0.023 0.000 0.924 560 E HN 0.753 nan 8.360 nan 0.000 0.467 561 G N 4.025 112.846 108.800 0.036 0.000 2.812 561 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.219 561 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.219 561 G C 0.825 175.746 174.900 0.035 0.000 1.275 561 G CA 0.257 45.382 45.100 0.041 0.000 0.769 561 G HN 0.557 nan 8.290 nan 0.000 0.527 562 L N 0.990 122.225 121.223 0.021 0.000 2.131 562 L HA 0.170 4.509 4.340 -0.001 0.000 0.206 562 L C 2.929 179.794 176.870 -0.009 0.000 1.087 562 L CA 2.008 56.856 54.840 0.014 0.000 0.767 562 L CB -0.335 41.728 42.059 0.008 0.000 0.917 562 L HN 0.521 nan 8.230 nan 0.000 0.441 563 R N 0.096 120.582 120.500 -0.024 0.000 2.083 563 R HA -0.240 4.099 4.340 -0.001 0.000 0.237 563 R C 1.942 178.168 176.300 -0.124 0.000 1.137 563 R CA 1.964 58.024 56.100 -0.066 0.000 0.951 563 R CB -0.046 30.225 30.300 -0.048 0.000 0.851 563 R HN 0.249 nan 8.270 nan 0.000 0.434 564 E N 0.755 120.925 120.200 -0.049 0.000 2.077 564 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 564 E C 1.782 178.355 176.600 -0.046 0.000 0.989 564 E CA 1.225 57.612 56.400 -0.021 0.000 0.800 564 E CB -0.387 29.427 29.700 0.189 0.000 0.746 564 E HN 0.284 nan 8.360 nan 0.000 0.452 565 L N 0.958 122.187 121.223 0.010 0.000 2.012 565 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 565 L C 1.938 178.805 176.870 -0.005 0.000 1.073 565 L CA 1.892 56.752 54.840 0.032 0.000 0.748 565 L CB -0.230 41.859 42.059 0.049 0.000 0.891 565 L HN -0.051 nan 8.230 nan 0.000 0.431 566 R N -0.868 119.615 120.500 -0.029 0.000 2.115 566 R HA -0.071 4.268 4.340 -0.001 0.000 0.230 566 R C 2.310 178.537 176.300 -0.121 0.000 1.111 566 R CA 1.511 57.612 56.100 0.002 0.000 0.976 566 R CB -0.424 29.896 30.300 0.034 0.000 0.870 566 R HN 0.408 nan 8.270 nan 0.000 0.445 567 L N -0.089 120.910 121.223 -0.373 0.000 2.056 567 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 567 L C 2.283 178.824 176.870 -0.548 0.000 1.078 567 L CA 1.167 55.541 54.840 -0.776 0.000 0.749 567 L CB -0.258 40.763 42.059 -1.730 0.000 0.901 567 L HN 0.131 nan 8.230 nan 0.000 0.433 568 S N -0.136 115.448 115.700 -0.193 0.000 2.383 568 S HA -0.142 4.328 4.470 -0.001 0.000 0.227 568 S C 1.790 176.422 174.600 0.054 0.000 1.026 568 S CA 0.959 59.259 58.200 0.168 0.000 0.981 568 S CB -0.209 63.149 63.200 0.264 0.000 0.818 568 S HN 0.222 nan 8.310 nan 0.000 0.472 569 L N 1.667 122.890 121.223 -0.000 0.000 2.056 569 L HA 0.048 4.387 4.340 -0.001 0.000 0.207 569 L C 2.134 178.973 176.870 -0.052 0.000 1.078 569 L CA 1.433 56.265 54.840 -0.014 0.000 0.749 569 L CB -0.644 41.410 42.059 -0.008 0.000 0.901 569 L HN 0.104 nan 8.230 nan 0.000 0.433 570 V N -0.371 119.510 119.914 -0.055 0.000 2.407 570 V HA -0.318 3.801 4.120 -0.001 0.000 0.248 570 V C 2.557 178.519 176.094 -0.220 0.000 1.055 570 V CA 1.985 64.204 62.300 -0.136 0.000 1.049 570 V CB -0.576 31.202 31.823 -0.076 0.000 0.662 570 V HN 0.644 nan 8.190 nan 0.000 0.455 571 Q N -0.305 119.427 119.800 -0.114 0.000 2.079 571 Q HA -0.218 4.122 4.340 -0.001 0.000 0.200 571 Q C 2.477 178.442 176.000 -0.058 0.000 0.974 571 Q CA 2.061 57.843 55.803 -0.034 0.000 0.840 571 Q CB -0.250 28.598 28.738 0.183 0.000 0.898 571 Q HN 0.590 nan 8.270 nan 0.000 0.430 572 S N 0.048 115.722 115.700 -0.042 0.000 2.382 572 S HA -0.167 4.302 4.470 -0.001 0.000 0.228 572 S C 1.900 176.425 174.600 -0.125 0.000 1.027 572 S CA 1.210 59.376 58.200 -0.056 0.000 0.991 572 S CB -0.318 62.867 63.200 -0.025 0.000 0.823 572 S HN 0.496 nan 8.310 nan 0.000 0.469 573 L N 1.695 122.809 121.223 -0.181 0.000 2.056 573 L HA -0.110 4.230 4.340 -0.001 0.000 0.207 573 L C 2.543 179.225 176.870 -0.312 0.000 1.078 573 L CA 2.361 57.044 54.840 -0.260 0.000 0.749 573 L CB -0.787 41.049 42.059 -0.371 0.000 0.901 573 L HN 0.565 nan 8.230 nan 0.000 0.433 574 Q N -0.580 119.013 119.800 -0.345 0.000 2.079 574 Q HA -0.213 4.127 4.340 -0.001 0.000 0.200 574 Q C 2.190 178.149 176.000 -0.069 0.000 0.974 574 Q CA 1.754 57.377 55.803 -0.300 0.000 0.840 574 Q CB -0.540 27.974 28.738 -0.373 0.000 0.898 574 Q HN 0.403 nan 8.270 nan 0.000 0.430 575 R N 0.039 120.490 120.500 -0.081 0.000 2.092 575 R HA -0.038 4.302 4.340 -0.001 0.000 0.231 575 R C 2.286 178.504 176.300 -0.135 0.000 1.119 575 R CA 1.792 57.864 56.100 -0.047 0.000 0.970 575 R CB -0.398 29.877 30.300 -0.041 0.000 0.864 575 R HN 0.379 nan 8.270 nan 0.000 0.440 576 T N 1.434 115.846 114.554 -0.237 0.000 2.777 576 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 576 T C 1.832 176.312 174.700 -0.366 0.000 1.040 576 T CA 0.916 62.727 62.100 -0.481 0.000 1.141 576 T CB -0.051 68.534 68.868 -0.471 0.000 0.868 576 T HN 0.123 nan 8.240 nan 0.000 0.444 577 L N 0.613 121.726 121.223 -0.183 0.000 2.093 577 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 577 L C 3.051 179.871 176.870 -0.084 0.000 1.085 577 L CA 1.043 55.825 54.840 -0.096 0.000 0.755 577 L CB -0.669 41.349 42.059 -0.068 0.000 0.904 577 L HN 0.241 nan 8.230 nan 0.000 0.435 578 A N -0.261 122.527 122.820 -0.052 0.000 1.877 578 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 578 A C 2.367 179.888 177.584 -0.105 0.000 1.186 578 A CA 2.336 54.277 52.037 -0.160 0.000 0.620 578 A CB -0.876 18.089 19.000 -0.058 0.000 0.822 578 A HN 0.349 nan 8.150 nan 0.000 0.443 579 T N -0.299 114.204 114.554 -0.086 0.000 2.737 579 T HA -0.021 4.328 4.350 -0.001 0.000 0.265 579 T C 2.000 176.681 174.700 -0.032 0.000 1.038 579 T CA 1.489 63.556 62.100 -0.054 0.000 1.144 579 T CB -0.709 68.131 68.868 -0.048 0.000 0.866 579 T HN 0.581 nan 8.240 nan 0.000 0.434 580 G N 1.674 110.475 108.800 0.001 0.000 2.446 580 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.217 580 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.217 580 G C 1.451 176.401 174.900 0.084 0.000 1.168 580 G CA 0.540 45.737 45.100 0.162 0.000 0.771 580 G HN 0.304 nan 8.290 nan 0.000 0.551 581 L N 1.233 122.474 121.223 0.030 0.000 2.042 581 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 581 L C 2.339 179.212 176.870 0.005 0.000 1.076 581 L CA 2.144 56.996 54.840 0.021 0.000 0.749 581 L CB -1.030 40.992 42.059 -0.062 0.000 0.893 581 L HN 0.345 nan 8.230 nan 0.000 0.432 582 D N -0.985 119.401 120.400 -0.023 0.000 2.149 582 D HA -0.202 4.437 4.640 -0.001 0.000 0.198 582 D C 2.206 178.503 176.300 -0.005 0.000 0.990 582 D CA 0.934 54.924 54.000 -0.017 0.000 0.839 582 D CB -0.015 40.776 40.800 -0.014 0.000 0.948 582 D HN 0.344 nan 8.370 nan 0.000 0.460 583 L N -0.165 121.050 121.223 -0.014 0.000 2.456 583 L HA -0.018 4.322 4.340 -0.001 0.000 0.224 583 L C 1.412 178.275 176.870 -0.011 0.000 1.148 583 L CA 0.383 55.209 54.840 -0.023 0.000 0.825 583 L CB -0.108 41.907 42.059 -0.074 0.000 0.937 583 L HN 0.214 nan 8.230 nan 0.000 0.450 584 L N -0.625 120.603 121.223 0.007 0.000 2.769 584 L HA 0.310 4.649 4.340 -0.001 0.000 0.240 584 L C 1.284 178.154 176.870 -0.000 0.000 1.163 584 L CA 0.136 54.978 54.840 0.004 0.000 0.962 584 L CB 0.034 42.123 42.059 0.050 0.000 1.258 584 L HN 0.336 nan 8.230 nan 0.000 0.513 585 G N 1.425 110.222 108.800 -0.005 0.000 2.179 585 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.257 585 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.257 585 G C 0.103 175.000 174.900 -0.004 0.000 1.010 585 G CA 0.113 45.206 45.100 -0.012 0.000 0.736 585 G HN 0.362 nan 8.290 nan 0.000 0.513 586 I N 2.277 122.852 120.570 0.007 0.000 2.354 586 I HA 0.341 4.510 4.170 -0.001 0.000 0.292 586 I C -1.580 174.515 176.117 -0.036 0.000 0.989 586 I CA -2.555 58.747 61.300 0.004 0.000 1.188 586 I CB 1.875 39.902 38.000 0.044 0.000 1.342 586 I HN -0.085 nan 8.210 nan 0.000 0.457 587 P HA 0.172 nan 4.420 nan 0.000 0.274 587 P C -0.986 176.236 177.300 -0.131 0.000 1.237 587 P CA -0.501 62.554 63.100 -0.074 0.000 0.793 587 P CB 1.237 32.910 31.700 -0.045 0.000 0.977 588 A N 2.761 125.456 122.820 -0.210 0.000 2.644 588 A HA 0.530 4.849 4.320 -0.001 0.000 0.343 588 A C -2.370 175.061 177.584 -0.256 0.000 1.324 588 A CA -1.652 50.148 52.037 -0.395 0.000 0.846 588 A CB -0.475 18.011 19.000 -0.857 0.000 1.128 588 A HN 0.316 nan 8.150 nan 0.000 0.484 589 P HA 0.073 nan 4.420 nan 0.000 0.264 589 P C 0.546 177.876 177.300 0.050 0.000 1.193 589 P CA 0.297 63.407 63.100 0.016 0.000 0.763 589 P CB 0.747 32.495 31.700 0.081 0.000 0.810 590 E N 0.824 121.000 120.200 -0.040 0.000 2.170 590 E HA 0.018 4.368 4.350 -0.001 0.000 0.191 590 E C 0.015 176.577 176.600 -0.064 0.000 0.981 590 E CA 0.690 56.967 56.400 -0.206 0.000 0.830 590 E CB 0.233 29.661 29.700 -0.453 0.000 0.775 590 E HN 0.211 nan 8.360 nan 0.000 0.470 591 V N 2.072 121.992 119.914 0.011 0.000 2.409 591 V HA 0.384 4.504 4.120 -0.001 0.000 0.291 591 V C -0.197 176.013 176.094 0.193 0.000 1.020 591 V CA -0.281 62.041 62.300 0.037 0.000 0.848 591 V CB 1.324 33.073 31.823 -0.124 0.000 0.990 591 V HN 0.114 nan 8.190 nan 0.000 0.430 592 M N 0.000 119.719 119.600 0.198 0.000 2.572 592 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 592 M CA 0.000 55.488 55.300 0.314 0.000 0.988 592 M CB 0.000 32.858 32.600 0.430 0.000 1.302 592 M HN 0.000 nan 8.290 nan 0.000 0.411