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 1h13_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFNNNPSSVG AYSSGTYRNL AQEMGKTNIQ QKVNSTFDNM FGYNNTQQLY DATA SEQUENCE YPYTENGVYK AHYIKAINPD EGDDIRTEGQ SWGMTAAVML NKQEEFDNLW DATA SEQUENCE RFAKAYQKNP DNHPDAKKQG VYAWKLKLNQ NGFVYKVDEG PAPDGEEYFA DATA SEQUENCE FALLNASARW GNSGEFNYYN DAITMLNTIK NKLMENQIIR FSPYIDNLTD DATA SEQUENCE PSYHIPAFYD YFANNVTNQA DKNYWRQVAT KSRTLLKNHF TKVSGSPHWN DATA SEQUENCE LPTFLSRLDG SPVIGYIFNG QANPGQWYEF DAWRVIMNVG LDAHLMGAQA DATA SEQUENCE WHKSAVNKAL GFLSYAKTNN SKNcYEQVYS YGGAQNRGcA GEGQKAANAV DATA SEQUENCE ALLASTNAGQ ANEFFNEFWS LSQPTGDYRY YNGSLYMLAM LHVSGNFKFY DATA SEQUENCE NNTF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.584 177.584 -0.000 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 1 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 2 F N 2.319 122.195 119.950 -0.123 0.000 2.602 2 F HA 0.301 5.340 4.527 0.854 0.000 0.385 2 F C 0.705 176.437 175.800 -0.114 0.000 1.063 2 F CA 0.254 58.171 58.000 -0.138 0.000 1.233 2 F CB 0.454 39.381 39.000 -0.121 0.000 1.067 2 F HN 0.604 nan 8.300 nan 0.000 0.564 3 N N 5.632 123.848 118.700 -0.806 0.000 2.415 3 N HA -0.015 5.232 4.740 0.844 0.000 0.250 3 N C 0.379 175.182 175.510 -1.177 0.000 1.127 3 N CA -0.207 52.407 53.050 -0.726 0.000 0.945 3 N CB -0.182 38.010 38.487 -0.493 0.000 1.196 3 N HN 0.681 nan 8.380 nan 0.000 0.499 4 N N 2.262 120.529 118.700 -0.722 0.000 2.370 4 N HA -0.045 5.201 4.740 0.844 0.000 0.198 4 N C -0.547 174.812 175.510 -0.252 0.000 1.156 4 N CA 0.028 52.828 53.050 -0.417 0.000 0.839 4 N CB -0.137 38.343 38.487 -0.012 0.000 0.989 4 N HN 0.310 nan 8.380 nan 0.000 0.468 5 N N 1.510 120.040 118.700 -0.282 0.000 2.813 5 N HA 0.274 5.521 4.740 0.844 0.000 0.282 5 N C -2.837 172.548 175.510 -0.208 0.000 1.748 5 N CA -1.648 51.287 53.050 -0.191 0.000 0.860 5 N CB 0.854 39.255 38.487 -0.144 0.000 1.204 5 N HN 0.077 nan 8.380 nan 0.000 0.490 6 P HA 0.021 nan 4.420 nan 0.000 0.268 6 P C 0.089 177.282 177.300 -0.178 0.000 1.204 6 P CA 0.021 62.987 63.100 -0.222 0.000 0.768 6 P CB 0.903 32.463 31.700 -0.233 0.000 0.842 7 S N 1.644 117.249 115.700 -0.159 0.000 2.560 7 S HA 0.041 5.018 4.470 0.844 0.000 0.284 7 S C 1.590 176.110 174.600 -0.134 0.000 1.327 7 S CA 0.065 58.186 58.200 -0.131 0.000 1.055 7 S CB -0.017 63.113 63.200 -0.116 0.000 0.868 7 S HN 0.522 nan 8.310 nan 0.000 0.506 8 S N 3.060 118.697 115.700 -0.105 0.000 2.522 8 S HA 0.073 5.049 4.470 0.844 0.000 0.227 8 S C 0.366 174.919 174.600 -0.078 0.000 0.986 8 S CA -0.129 58.017 58.200 -0.090 0.000 0.929 8 S CB -0.215 62.953 63.200 -0.054 0.000 0.769 8 S HN 0.452 nan 8.310 nan 0.000 0.529 9 V N 2.248 122.111 119.914 -0.084 0.000 2.383 9 V HA 0.661 5.288 4.120 0.844 0.000 0.275 9 V C 1.006 177.033 176.094 -0.111 0.000 1.036 9 V CA -0.477 61.775 62.300 -0.080 0.000 0.889 9 V CB 0.791 32.569 31.823 -0.075 0.000 0.985 9 V HN 0.435 nan 8.190 nan 0.000 0.459 10 G N 2.838 111.573 108.800 -0.109 0.000 2.537 10 G HA2 0.460 4.927 3.960 0.844 0.000 0.273 10 G HA3 0.460 4.927 3.960 0.844 0.000 0.273 10 G C 1.045 175.801 174.900 -0.239 0.000 1.189 10 G CA 0.092 45.092 45.100 -0.165 0.000 0.881 10 G HN 0.969 nan 8.290 nan 0.000 0.535 11 A N 0.141 122.703 122.820 -0.430 0.000 1.978 11 A HA -0.129 4.698 4.320 0.844 0.000 0.220 11 A C 2.009 179.285 177.584 -0.515 0.000 1.170 11 A CA 1.767 53.370 52.037 -0.722 0.000 0.636 11 A CB -0.638 17.427 19.000 -1.557 0.000 0.810 11 A HN 0.758 nan 8.150 nan 0.000 0.448 12 Y N 0.716 120.733 120.300 -0.471 0.000 2.224 12 Y HA -0.135 4.922 4.550 0.844 0.000 0.289 12 Y C 2.863 178.710 175.900 -0.089 0.000 1.146 12 Y CA 1.214 59.188 58.100 -0.211 0.000 1.182 12 Y CB -0.681 37.712 38.460 -0.113 0.000 0.983 12 Y HN 0.353 nan 8.280 nan 0.000 0.524 13 S N -1.183 114.452 115.700 -0.109 0.000 2.388 13 S HA -0.093 4.883 4.470 0.844 0.000 0.223 13 S C 2.231 176.762 174.600 -0.116 0.000 1.034 13 S CA 1.278 59.388 58.200 -0.150 0.000 0.963 13 S CB -0.675 62.461 63.200 -0.105 0.000 0.827 13 S HN 0.609 nan 8.310 nan 0.000 0.481 14 S N -0.338 115.286 115.700 -0.127 0.000 2.446 14 S HA 0.319 5.295 4.470 0.844 0.000 0.225 14 S C 1.762 176.309 174.600 -0.088 0.000 1.016 14 S CA 1.052 59.189 58.200 -0.105 0.000 0.943 14 S CB -0.527 62.603 63.200 -0.117 0.000 0.786 14 S HN 1.331 nan 8.310 nan 0.000 0.508 15 G N 0.536 109.270 108.800 -0.110 0.000 2.179 15 G HA2 -0.228 4.238 3.960 0.844 0.000 0.260 15 G HA3 -0.228 4.238 3.960 0.844 0.000 0.260 15 G C 0.168 175.052 174.900 -0.027 0.000 0.977 15 G CA 0.429 45.513 45.100 -0.027 0.000 0.641 15 G HN 0.649 nan 8.290 nan 0.000 0.533 16 T N 1.308 115.776 114.554 -0.143 0.000 2.762 16 T HA 0.533 5.389 4.350 0.844 0.000 0.303 16 T C -0.540 174.045 174.700 -0.191 0.000 0.977 16 T CA -0.108 61.943 62.100 -0.082 0.000 0.961 16 T CB 0.544 69.365 68.868 -0.079 0.000 0.944 16 T HN 0.230 nan 8.240 nan 0.000 0.481 17 Y N 2.491 122.796 120.300 0.009 0.000 2.320 17 Y HA 0.387 5.442 4.550 0.843 0.000 0.334 17 Y C 1.248 177.253 175.900 0.175 0.000 1.055 17 Y CA -0.966 57.197 58.100 0.105 0.000 1.143 17 Y CB 0.840 39.332 38.460 0.053 0.000 1.193 17 Y HN 0.393 nan 8.280 nan 0.000 0.477 18 R N 1.897 122.649 120.500 0.420 0.000 2.643 18 R HA 0.075 4.921 4.340 0.844 0.000 0.270 18 R C -0.173 176.170 176.300 0.072 0.000 1.061 18 R CA -0.290 55.855 56.100 0.074 0.000 1.107 18 R CB 0.321 30.499 30.300 -0.204 0.000 0.999 18 R HN 0.508 nan 8.270 nan 0.000 0.460 19 N N 3.134 121.835 118.700 0.002 0.000 2.706 19 N HA 0.017 5.263 4.740 0.844 0.000 0.240 19 N C 0.278 175.731 175.510 -0.094 0.000 1.039 19 N CA -0.210 52.838 53.050 -0.003 0.000 0.888 19 N CB 0.971 39.467 38.487 0.013 0.000 1.128 19 N HN 0.474 nan 8.380 nan 0.000 0.512 20 L N 4.127 125.278 121.223 -0.121 0.000 2.083 20 L HA 0.060 4.907 4.340 0.844 0.000 0.209 20 L C 1.964 178.563 176.870 -0.451 0.000 1.083 20 L CA 2.026 56.727 54.840 -0.232 0.000 0.752 20 L CB -0.567 41.388 42.059 -0.173 0.000 0.899 20 L HN 0.539 nan 8.230 nan 0.000 0.433 21 A N -1.081 121.516 122.820 -0.373 0.000 1.933 21 A HA -0.272 4.554 4.320 0.844 0.000 0.218 21 A C 2.327 179.659 177.584 -0.420 0.000 1.175 21 A CA 1.769 53.474 52.037 -0.554 0.000 0.628 21 A CB -0.646 18.107 19.000 -0.411 0.000 0.814 21 A HN 0.673 nan 8.150 nan 0.000 0.444 22 Q N -0.308 119.351 119.800 -0.234 0.000 2.079 22 Q HA -0.201 4.646 4.340 0.844 0.000 0.200 22 Q C 1.865 177.764 176.000 -0.168 0.000 0.974 22 Q CA 1.608 57.318 55.803 -0.156 0.000 0.840 22 Q CB -0.167 28.523 28.738 -0.080 0.000 0.898 22 Q HN 0.772 nan 8.270 nan 0.000 0.430 23 E N -0.176 119.913 120.200 -0.184 0.000 2.130 23 E HA -0.196 4.661 4.350 0.844 0.000 0.196 23 E C 1.551 178.053 176.600 -0.163 0.000 0.998 23 E CA 1.091 57.399 56.400 -0.153 0.000 0.806 23 E CB 0.009 29.626 29.700 -0.140 0.000 0.738 23 E HN 0.417 nan 8.360 nan 0.000 0.459 24 M N -0.697 118.723 119.600 -0.299 0.000 2.628 24 M HA 0.119 5.106 4.480 0.844 0.000 0.232 24 M C 1.160 177.338 176.300 -0.204 0.000 1.128 24 M CA 0.657 55.775 55.300 -0.303 0.000 1.040 24 M CB -0.082 32.138 32.600 -0.632 0.000 1.608 24 M HN 0.264 nan 8.290 nan 0.000 0.507 25 G N 0.992 109.690 108.800 -0.169 0.000 2.143 25 G HA2 -0.220 4.247 3.960 0.844 0.000 0.248 25 G HA3 -0.220 4.247 3.960 0.844 0.000 0.248 25 G C 0.146 174.992 174.900 -0.091 0.000 0.991 25 G CA 0.021 45.062 45.100 -0.098 0.000 0.689 25 G HN 0.323 nan 8.290 nan 0.000 0.522 26 K N 0.902 121.197 120.400 -0.174 0.000 2.126 26 K HA 0.668 5.495 4.320 0.844 0.000 0.257 26 K C 0.914 177.513 176.600 -0.002 0.000 1.007 26 K CA 0.440 56.648 56.287 -0.131 0.000 0.928 26 K CB 0.963 33.164 32.500 -0.500 0.000 1.013 26 K HN 0.575 nan 8.250 nan 0.000 0.473 27 T N -3.960 110.668 114.554 0.123 0.000 2.926 27 T HA 0.402 5.259 4.350 0.844 0.000 0.289 27 T C 0.576 175.407 174.700 0.217 0.000 1.054 27 T CA -0.095 62.084 62.100 0.132 0.000 1.015 27 T CB 0.746 69.677 68.868 0.104 0.000 1.167 27 T HN 0.730 nan 8.240 nan 0.000 0.526 28 N N -0.549 118.249 118.700 0.164 0.000 2.735 28 N HA -0.176 5.071 4.740 0.844 0.000 0.248 28 N C 0.885 176.541 175.510 0.243 0.000 1.083 28 N CA 1.143 54.295 53.050 0.170 0.000 0.703 28 N CB -2.480 36.097 38.487 0.150 0.000 1.005 28 N HN 0.759 nan 8.380 nan 0.000 0.550 29 I N -0.862 119.864 120.570 0.260 0.000 2.202 29 I HA -0.260 4.416 4.170 0.844 0.000 0.242 29 I C 2.486 178.770 176.117 0.279 0.000 1.091 29 I CA 1.383 62.903 61.300 0.367 0.000 1.368 29 I CB -0.098 38.051 38.000 0.248 0.000 1.058 29 I HN 0.545 nan 8.210 nan 0.000 0.410 30 Q N 0.505 120.412 119.800 0.179 0.000 2.119 30 Q HA -0.228 4.618 4.340 0.844 0.000 0.201 30 Q C 2.460 178.532 176.000 0.120 0.000 0.972 30 Q CA 2.077 57.962 55.803 0.136 0.000 0.847 30 Q CB -0.863 27.930 28.738 0.092 0.000 0.903 30 Q HN 0.715 nan 8.270 nan 0.000 0.433 31 Q N 1.719 121.587 119.800 0.113 0.000 2.096 31 Q HA -0.186 4.661 4.340 0.844 0.000 0.204 31 Q C 1.921 177.975 176.000 0.091 0.000 0.982 31 Q CA 2.156 58.013 55.803 0.090 0.000 0.850 31 Q CB -0.627 28.158 28.738 0.077 0.000 0.901 31 Q HN 0.476 nan 8.270 nan 0.000 0.422 32 K N -0.548 119.916 120.400 0.106 0.000 2.057 32 K HA -0.044 4.783 4.320 0.844 0.000 0.206 32 K C 2.106 178.759 176.600 0.087 0.000 1.050 32 K CA 1.170 57.487 56.287 0.050 0.000 0.935 32 K CB -0.205 32.272 32.500 -0.039 0.000 0.715 32 K HN 0.318 nan 8.250 nan 0.000 0.439 33 V N 2.201 122.201 119.914 0.145 0.000 2.295 33 V HA -0.279 4.348 4.120 0.844 0.000 0.246 33 V C 1.893 178.085 176.094 0.163 0.000 1.049 33 V CA 1.982 64.380 62.300 0.164 0.000 1.024 33 V CB -0.650 31.276 31.823 0.172 0.000 0.648 33 V HN 0.417 nan 8.190 nan 0.000 0.447 34 N N 0.239 119.015 118.700 0.127 0.000 2.120 34 N HA -0.119 5.128 4.740 0.844 0.000 0.188 34 N C 2.071 177.673 175.510 0.152 0.000 1.024 34 N CA 1.773 54.894 53.050 0.118 0.000 0.852 34 N CB -0.465 38.064 38.487 0.070 0.000 1.003 34 N HN 0.400 nan 8.380 nan 0.000 0.424 35 S N -0.021 115.751 115.700 0.120 0.000 2.402 35 S HA -0.047 4.929 4.470 0.844 0.000 0.229 35 S C 1.971 176.652 174.600 0.135 0.000 1.021 35 S CA 1.062 59.326 58.200 0.106 0.000 0.974 35 S CB -0.354 62.884 63.200 0.064 0.000 0.800 35 S HN 0.399 nan 8.310 nan 0.000 0.484 36 T N 1.803 116.459 114.554 0.170 0.000 2.684 36 T HA -0.096 4.761 4.350 0.844 0.000 0.267 36 T C 1.419 176.264 174.700 0.243 0.000 1.036 36 T CA 1.336 63.569 62.100 0.222 0.000 1.148 36 T CB -0.455 68.583 68.868 0.283 0.000 0.863 36 T HN 0.422 nan 8.240 nan 0.000 0.436 37 F N 2.258 122.299 119.950 0.152 0.000 2.102 37 F HA -0.127 4.906 4.527 0.843 0.000 0.298 37 F C 1.987 177.891 175.800 0.173 0.000 1.105 37 F CA 1.413 59.512 58.000 0.165 0.000 1.239 37 F CB -0.331 38.672 39.000 0.006 0.000 0.991 37 F HN 0.047 nan 8.300 nan 0.000 0.474 38 D N 0.094 120.660 120.400 0.276 0.000 2.149 38 D HA -0.181 4.965 4.640 0.844 0.000 0.198 38 D C 1.862 178.200 176.300 0.064 0.000 0.990 38 D CA 1.218 55.317 54.000 0.164 0.000 0.839 38 D CB -0.481 40.399 40.800 0.132 0.000 0.948 38 D HN 0.327 nan 8.370 nan 0.000 0.460 39 N N -0.011 118.726 118.700 0.061 0.000 2.300 39 N HA -0.050 5.197 4.740 0.844 0.000 0.179 39 N C 1.793 177.297 175.510 -0.009 0.000 1.016 39 N CA 0.264 53.328 53.050 0.025 0.000 0.876 39 N CB -0.248 38.255 38.487 0.026 0.000 0.979 39 N HN 0.260 nan 8.380 nan 0.000 0.432 40 M N -0.689 118.902 119.600 -0.015 0.000 2.229 40 M HA -0.023 4.963 4.480 0.844 0.000 0.264 40 M C 0.065 176.179 176.300 -0.310 0.000 1.063 40 M CA 1.477 56.705 55.300 -0.120 0.000 1.114 40 M CB 0.082 32.643 32.600 -0.065 0.000 1.387 40 M HN -0.095 nan 8.290 nan 0.000 0.420 41 F N 0.319 120.036 119.950 -0.388 0.000 2.750 41 F HA 0.423 5.455 4.527 0.843 0.000 0.297 41 F C 0.813 176.492 175.800 -0.200 0.000 1.138 41 F CA -0.448 57.282 58.000 -0.449 0.000 1.346 41 F CB 0.052 38.443 39.000 -1.014 0.000 0.965 41 F HN 0.031 nan 8.300 nan 0.000 0.514 42 G N -1.398 107.403 108.800 0.002 0.000 2.498 42 G HA2 0.376 4.843 3.960 0.844 0.000 0.312 42 G HA3 0.376 4.843 3.960 0.844 0.000 0.312 42 G C -1.383 173.561 174.900 0.072 0.000 1.230 42 G CA -0.380 44.698 45.100 -0.037 0.000 0.968 42 G HN -0.020 nan 8.290 nan 0.000 0.481 43 Y N 1.521 121.809 120.300 -0.020 0.000 2.735 43 Y HA 0.148 5.204 4.550 0.843 0.000 0.354 43 Y C 1.194 177.064 175.900 -0.050 0.000 1.288 43 Y CA -1.714 56.344 58.100 -0.071 0.000 1.836 43 Y CB -0.119 38.322 38.460 -0.032 0.000 1.920 43 Y HN 0.704 nan 8.280 nan 0.000 0.438 44 N N -1.360 117.391 118.700 0.084 0.000 2.181 44 N HA 0.048 5.294 4.740 0.844 0.000 0.207 44 N C 0.919 176.456 175.510 0.045 0.000 1.182 44 N CA 0.576 53.658 53.050 0.053 0.000 0.893 44 N CB -0.458 38.049 38.487 0.034 0.000 1.032 44 N HN 0.256 nan 8.380 nan 0.000 0.513 45 N N -0.989 117.737 118.700 0.044 0.000 2.693 45 N HA -0.255 4.991 4.740 0.844 0.000 0.249 45 N C 0.823 176.380 175.510 0.077 0.000 1.119 45 N CA 1.930 55.035 53.050 0.092 0.000 0.717 45 N CB -2.490 36.054 38.487 0.095 0.000 1.071 45 N HN 0.550 nan 8.380 nan 0.000 0.555 46 T N -1.706 112.879 114.554 0.051 0.000 3.447 46 T HA 0.132 4.988 4.350 0.844 0.000 0.218 46 T C 1.702 176.421 174.700 0.032 0.000 0.972 46 T CA 1.075 63.197 62.100 0.036 0.000 1.264 46 T CB -0.083 68.798 68.868 0.021 0.000 1.284 46 T HN 0.486 nan 8.240 nan 0.000 0.361 47 Q N 1.319 121.127 119.800 0.014 0.000 2.398 47 Q HA 0.223 5.070 4.340 0.844 0.000 0.204 47 Q C 0.948 176.955 176.000 0.012 0.000 0.932 47 Q CA 0.122 55.928 55.803 0.006 0.000 0.916 47 Q CB -0.075 28.655 28.738 -0.014 0.000 1.024 47 Q HN 0.486 nan 8.270 nan 0.000 0.504 48 Q N 0.645 120.446 119.800 0.002 0.000 2.283 48 Q HA -0.062 4.784 4.340 0.844 0.000 0.301 48 Q C -0.018 175.996 176.000 0.023 0.000 1.063 48 Q CA 0.517 56.282 55.803 -0.064 0.000 0.952 48 Q CB 0.416 29.059 28.738 -0.158 0.000 1.166 48 Q HN 0.382 nan 8.270 nan 0.000 0.381 49 L N 3.992 125.180 121.223 -0.058 0.000 2.878 49 L HA 0.202 5.049 4.340 0.844 0.000 0.253 49 L C -0.230 176.678 176.870 0.063 0.000 1.135 49 L CA -0.306 54.587 54.840 0.087 0.000 0.943 49 L CB 0.511 42.582 42.059 0.020 0.000 1.307 49 L HN 0.659 nan 8.230 nan 0.000 0.545 50 Y N 0.663 120.734 120.300 -0.381 0.000 2.367 50 Y HA 0.449 5.505 4.550 0.844 0.000 0.342 50 Y C -1.150 174.581 175.900 -0.281 0.000 0.979 50 Y CA -0.587 57.321 58.100 -0.320 0.000 1.161 50 Y CB 0.377 38.510 38.460 -0.545 0.000 1.155 50 Y HN -0.110 nan 8.280 nan 0.000 0.503 51 Y N 7.421 127.429 120.300 -0.488 0.000 2.462 51 Y HA 0.462 5.517 4.550 0.843 0.000 0.346 51 Y C -2.335 173.079 175.900 -0.809 0.000 0.976 51 Y CA -2.742 54.981 58.100 -0.628 0.000 1.044 51 Y CB 1.958 39.933 38.460 -0.809 0.000 1.230 51 Y HN 0.526 nan 8.280 nan 0.000 0.455 52 P HA 0.048 nan 4.420 nan 0.000 0.278 52 P C -1.415 175.804 177.300 -0.136 0.000 1.238 52 P CA -0.066 62.608 63.100 -0.711 0.000 0.794 52 P CB 1.138 32.559 31.700 -0.465 0.000 0.955 53 Y N 2.277 122.520 120.300 -0.096 0.000 2.328 53 Y HA 0.488 5.544 4.550 0.844 0.000 0.336 53 Y C -0.363 175.502 175.900 -0.058 0.000 0.960 53 Y CA -0.283 57.861 58.100 0.073 0.000 1.134 53 Y CB 1.172 39.809 38.460 0.295 0.000 1.166 53 Y HN 0.434 nan 8.280 nan 0.000 0.464 54 T N 2.311 116.504 114.554 -0.601 0.000 2.908 54 T HA 0.653 5.510 4.350 0.844 0.000 0.290 54 T C -1.026 173.260 174.700 -0.690 0.000 1.034 54 T CA -1.009 60.784 62.100 -0.513 0.000 1.010 54 T CB 2.078 70.818 68.868 -0.213 0.000 1.068 54 T HN 0.666 nan 8.240 nan 0.000 0.481 55 E N 1.637 121.598 120.200 -0.398 0.000 2.216 55 E HA 0.341 5.198 4.350 0.844 0.000 0.260 55 E C -0.543 176.040 176.600 -0.029 0.000 0.880 55 E CA -1.046 55.250 56.400 -0.172 0.000 0.765 55 E CB 1.046 30.769 29.700 0.038 0.000 1.174 55 E HN 0.722 nan 8.360 nan 0.000 0.417 56 N N 2.262 120.956 118.700 -0.010 0.000 2.721 56 N HA -0.242 5.004 4.740 0.844 0.000 0.249 56 N C 0.691 176.193 175.510 -0.013 0.000 1.072 56 N CA 1.327 54.392 53.050 0.024 0.000 0.710 56 N CB -1.085 37.456 38.487 0.090 0.000 0.993 56 N HN 1.059 nan 8.380 nan 0.000 0.547 57 G N -2.540 106.228 108.800 -0.054 0.000 2.179 57 G HA2 -0.334 4.132 3.960 0.844 0.000 0.260 57 G HA3 -0.334 4.132 3.960 0.844 0.000 0.260 57 G C 0.031 174.927 174.900 -0.007 0.000 0.977 57 G CA 0.392 45.472 45.100 -0.033 0.000 0.641 57 G HN 0.473 nan 8.290 nan 0.000 0.533 58 V N 1.229 121.134 119.914 -0.015 0.000 2.370 58 V HA 0.487 5.113 4.120 0.844 0.000 0.279 58 V C 0.453 176.549 176.094 0.003 0.000 1.029 58 V CA -1.133 61.180 62.300 0.021 0.000 0.870 58 V CB 1.160 32.993 31.823 0.018 0.000 0.984 58 V HN 0.359 nan 8.190 nan 0.000 0.451 59 Y N 6.232 126.527 120.300 -0.009 0.000 2.620 59 Y HA 0.106 5.162 4.550 0.843 0.000 0.330 59 Y C 1.118 177.055 175.900 0.061 0.000 1.186 59 Y CA 0.600 58.708 58.100 0.012 0.000 1.467 59 Y CB 0.535 39.027 38.460 0.054 0.000 1.262 59 Y HN 0.592 nan 8.280 nan 0.000 0.550 60 K N 4.526 124.373 120.400 -0.921 0.000 2.363 60 K HA 0.570 5.396 4.320 0.844 0.000 0.215 60 K C -0.209 176.041 176.600 -0.582 0.000 1.179 60 K CA 0.700 56.696 56.287 -0.486 0.000 0.856 60 K CB 0.129 32.611 32.500 -0.030 0.000 1.371 60 K HN 0.649 nan 8.250 nan 0.000 0.455 61 A N 0.215 122.768 122.820 -0.445 0.000 2.483 61 A HA 0.588 5.415 4.320 0.844 0.000 0.306 61 A C -1.513 176.320 177.584 0.415 0.000 1.137 61 A CA -0.696 51.476 52.037 0.224 0.000 0.626 61 A CB 0.807 20.122 19.000 0.524 0.000 1.352 61 A HN 0.268 nan 8.150 nan 0.000 0.508 62 H N -1.192 118.122 119.070 0.407 0.000 2.731 62 H HA 0.650 5.712 4.556 0.844 0.000 0.368 62 H C -1.505 173.813 175.328 -0.016 0.000 1.168 62 H CA 0.046 56.170 56.048 0.128 0.000 1.181 62 H CB 2.047 31.730 29.762 -0.132 0.000 1.743 62 H HN 0.762 nan 8.280 nan 0.000 0.547 63 Y N -0.821 119.350 120.300 -0.215 0.000 2.609 63 Y HA 0.465 5.521 4.550 0.843 0.000 0.342 63 Y C -1.258 174.597 175.900 -0.075 0.000 1.058 63 Y CA -1.416 56.429 58.100 -0.425 0.000 1.055 63 Y CB 1.026 38.817 38.460 -1.115 0.000 1.292 63 Y HN 0.260 nan 8.280 nan 0.000 0.476 64 I N 2.854 123.496 120.570 0.120 0.000 2.312 64 I HA 0.248 4.924 4.170 0.844 0.000 0.291 64 I C -0.068 176.183 176.117 0.223 0.000 1.031 64 I CA -0.591 60.803 61.300 0.158 0.000 1.293 64 I CB 1.046 39.171 38.000 0.209 0.000 1.403 64 I HN 0.681 nan 8.210 nan 0.000 0.484 65 K N 5.690 126.199 120.400 0.181 0.000 2.276 65 K HA 0.461 5.287 4.320 0.844 0.000 0.285 65 K C -0.046 176.542 176.600 -0.020 0.000 1.062 65 K CA -0.426 55.919 56.287 0.097 0.000 0.918 65 K CB 0.812 33.230 32.500 -0.137 0.000 1.055 65 K HN 0.720 nan 8.250 nan 0.000 0.477 66 A N 6.977 129.610 122.820 -0.312 0.000 2.922 66 A HA 0.221 5.048 4.320 0.844 0.000 0.298 66 A C 0.126 177.512 177.584 -0.329 0.000 1.588 66 A CA -0.547 51.025 52.037 -0.776 0.000 1.288 66 A CB -0.669 17.613 19.000 -1.198 0.000 1.130 66 A HN 0.827 nan 8.150 nan 0.000 0.557 67 I N 2.074 122.570 120.570 -0.122 0.000 2.752 67 I HA -0.051 4.625 4.170 0.844 0.000 0.289 67 I C 0.505 176.630 176.117 0.012 0.000 1.197 67 I CA 0.516 61.787 61.300 -0.049 0.000 1.432 67 I CB 0.300 38.303 38.000 0.005 0.000 1.359 67 I HN 0.590 nan 8.210 nan 0.000 0.571 68 N N 8.796 127.477 118.700 -0.033 0.000 2.629 68 N HA 0.257 5.503 4.740 0.844 0.000 0.277 68 N C -2.156 173.321 175.510 -0.055 0.000 1.188 68 N CA -1.583 51.464 53.050 -0.003 0.000 0.835 68 N CB 1.927 40.420 38.487 0.010 0.000 1.420 68 N HN 0.101 nan 8.380 nan 0.000 0.542 69 P HA 0.042 nan 4.420 nan 0.000 0.222 69 P C 0.569 177.840 177.300 -0.048 0.000 1.147 69 P CA 1.530 64.569 63.100 -0.101 0.000 0.790 69 P CB 0.296 31.891 31.700 -0.176 0.000 0.780 70 D N -1.734 118.651 120.400 -0.024 0.000 2.473 70 D HA 0.193 5.339 4.640 0.844 0.000 0.242 70 D C 1.657 177.957 176.300 -0.001 0.000 1.106 70 D CA 0.661 54.660 54.000 -0.003 0.000 0.854 70 D CB -0.431 40.382 40.800 0.020 0.000 1.192 70 D HN 0.275 nan 8.370 nan 0.000 0.503 71 E N -0.239 119.960 120.200 -0.003 0.000 2.481 71 E HA 0.529 5.385 4.350 0.844 0.000 0.198 71 E C 1.312 177.896 176.600 -0.025 0.000 1.027 71 E CA 0.691 57.088 56.400 -0.005 0.000 0.900 71 E CB -0.009 29.697 29.700 0.009 0.000 0.993 71 E HN 1.750 nan 8.360 nan 0.000 0.482 72 G N 0.983 109.761 108.800 -0.037 0.000 2.788 72 G HA2 -0.028 4.438 3.960 0.844 0.000 0.686 72 G HA3 -0.028 4.438 3.960 0.844 0.000 0.686 72 G C -0.913 173.936 174.900 -0.084 0.000 1.147 72 G CA -0.409 44.658 45.100 -0.056 0.000 0.755 72 G HN 0.176 nan 8.290 nan 0.000 0.634 73 D N 1.297 121.636 120.400 -0.102 0.000 2.423 73 D HA 0.463 5.609 4.640 0.844 0.000 0.238 73 D C 0.758 176.948 176.300 -0.183 0.000 1.142 73 D CA 1.265 55.182 54.000 -0.137 0.000 0.884 73 D CB 1.254 41.966 40.800 -0.146 0.000 1.199 73 D HN 0.791 nan 8.370 nan 0.000 0.438 74 D N -0.720 119.540 120.400 -0.233 0.000 2.744 74 D HA 0.588 5.734 4.640 0.844 0.000 0.304 74 D C -0.864 175.239 176.300 -0.328 0.000 1.179 74 D CA -0.689 53.130 54.000 -0.301 0.000 1.024 74 D CB 0.629 41.236 40.800 -0.321 0.000 1.453 74 D HN 0.257 nan 8.370 nan 0.000 0.529 75 I N -0.628 119.733 120.570 -0.349 0.000 2.499 75 I HA 0.461 5.138 4.170 0.844 0.000 0.288 75 I C -0.465 175.528 176.117 -0.207 0.000 1.048 75 I CA -0.789 60.346 61.300 -0.275 0.000 1.062 75 I CB 1.866 39.658 38.000 -0.347 0.000 1.238 75 I HN 0.128 nan 8.210 nan 0.000 0.426 76 R N 2.253 122.681 120.500 -0.120 0.000 2.740 76 R HA 0.418 5.265 4.340 0.844 0.000 0.282 76 R C 0.985 177.324 176.300 0.066 0.000 0.969 76 R CA -0.601 55.494 56.100 -0.007 0.000 0.918 76 R CB 2.175 32.486 30.300 0.019 0.000 1.175 76 R HN 0.761 nan 8.270 nan 0.000 0.464 77 T N -1.852 112.772 114.554 0.116 0.000 2.821 77 T HA -0.131 4.726 4.350 0.844 0.000 0.267 77 T C 1.285 175.800 174.700 -0.308 0.000 1.046 77 T CA 1.120 63.252 62.100 0.053 0.000 1.139 77 T CB -0.059 68.915 68.868 0.176 0.000 0.871 77 T HN 0.578 nan 8.240 nan 0.000 0.454 78 E N 1.295 121.252 120.200 -0.405 0.000 2.038 78 E HA -0.050 4.807 4.350 0.844 0.000 0.195 78 E C 2.592 178.417 176.600 -1.291 0.000 1.000 78 E CA 1.116 56.891 56.400 -1.042 0.000 0.803 78 E CB -0.692 28.379 29.700 -1.048 0.000 0.750 78 E HN 0.667 nan 8.360 nan 0.000 0.448 79 G N 0.649 109.154 108.800 -0.492 0.000 2.422 79 G HA2 -0.341 4.125 3.960 0.844 0.000 0.218 79 G HA3 -0.341 4.125 3.960 0.844 0.000 0.218 79 G C 1.527 176.454 174.900 0.044 0.000 1.146 79 G CA 0.943 46.026 45.100 -0.028 0.000 0.769 79 G HN 0.135 nan 8.290 nan 0.000 0.547 80 Q N 1.358 121.180 119.800 0.036 0.000 2.061 80 Q HA -0.137 4.709 4.340 0.844 0.000 0.204 80 Q C 2.838 178.933 176.000 0.158 0.000 0.984 80 Q CA 2.389 58.304 55.803 0.186 0.000 0.846 80 Q CB -0.358 28.583 28.738 0.337 0.000 0.902 80 Q HN 0.553 nan 8.270 nan 0.000 0.421 81 S N -1.364 114.205 115.700 -0.218 0.000 2.406 81 S HA -0.114 4.862 4.470 0.844 0.000 0.228 81 S C 1.607 176.245 174.600 0.065 0.000 1.020 81 S CA 0.766 58.801 58.200 -0.275 0.000 0.965 81 S CB -0.723 61.916 63.200 -0.935 0.000 0.798 81 S HN 0.512 nan 8.310 nan 0.000 0.488 82 W N 2.309 123.558 121.300 -0.084 0.000 2.358 82 W HA 0.232 5.400 4.660 0.848 0.000 0.303 82 W C 2.753 179.374 176.519 0.170 0.000 1.208 82 W CA 0.314 57.632 57.345 -0.045 0.000 1.274 82 W CB -1.625 27.759 29.460 -0.127 0.000 1.138 82 W HN 0.497 nan 8.180 nan 0.000 0.515 83 G N 0.186 109.242 108.800 0.427 0.000 2.418 83 G HA2 -0.248 4.219 3.960 0.844 0.000 0.217 83 G HA3 -0.248 4.219 3.960 0.844 0.000 0.217 83 G C 1.623 176.822 174.900 0.498 0.000 1.158 83 G CA 1.089 46.496 45.100 0.512 0.000 0.771 83 G HN 0.115 nan 8.290 nan 0.000 0.545 84 M N 0.475 120.275 119.600 0.332 0.000 2.117 84 M HA -0.064 4.922 4.480 0.844 0.000 0.262 84 M C 2.784 179.288 176.300 0.339 0.000 1.065 84 M CA 1.682 57.076 55.300 0.156 0.000 1.114 84 M CB -0.496 32.008 32.600 -0.160 0.000 1.361 84 M HN 0.137 nan 8.290 nan 0.000 0.408 85 T N 0.717 115.500 114.554 0.382 0.000 2.708 85 T HA -0.128 4.729 4.350 0.844 0.000 0.266 85 T C 1.901 176.778 174.700 0.294 0.000 1.037 85 T CA 1.588 63.924 62.100 0.393 0.000 1.146 85 T CB -0.383 68.858 68.868 0.621 0.000 0.865 85 T HN 0.509 nan 8.240 nan 0.000 0.435 86 A N 1.507 124.549 122.820 0.370 0.000 1.877 86 A HA 0.119 4.946 4.320 0.844 0.000 0.216 86 A C 2.666 180.383 177.584 0.222 0.000 1.186 86 A CA 1.932 54.171 52.037 0.337 0.000 0.620 86 A CB -1.185 18.110 19.000 0.492 0.000 0.822 86 A HN 0.511 nan 8.150 nan 0.000 0.443 87 A N -0.834 122.157 122.820 0.286 0.000 1.883 87 A HA -0.057 4.770 4.320 0.844 0.000 0.217 87 A C 2.338 179.982 177.584 0.101 0.000 1.186 87 A CA 1.867 53.980 52.037 0.126 0.000 0.624 87 A CB -1.107 18.072 19.000 0.299 0.000 0.822 87 A HN 0.793 nan 8.150 nan 0.000 0.444 88 V N -0.166 119.858 119.914 0.183 0.000 2.515 88 V HA -0.194 4.432 4.120 0.844 0.000 0.250 88 V C 2.332 178.247 176.094 -0.298 0.000 1.058 88 V CA 2.064 64.261 62.300 -0.173 0.000 1.064 88 V CB -0.490 31.046 31.823 -0.478 0.000 0.675 88 V HN 0.520 nan 8.190 nan 0.000 0.461 89 M N -0.730 118.755 119.600 -0.192 0.000 2.296 89 M HA -0.002 4.985 4.480 0.844 0.000 0.265 89 M C 1.766 177.965 176.300 -0.168 0.000 1.064 89 M CA 1.625 56.815 55.300 -0.184 0.000 1.109 89 M CB -0.819 31.692 32.600 -0.149 0.000 1.396 89 M HN 0.294 nan 8.290 nan 0.000 0.430 90 L N -0.736 120.356 121.223 -0.218 0.000 2.667 90 L HA 0.130 4.977 4.340 0.844 0.000 0.232 90 L C 0.158 176.876 176.870 -0.253 0.000 1.138 90 L CA -0.214 54.457 54.840 -0.281 0.000 0.921 90 L CB -0.256 41.507 42.059 -0.493 0.000 1.180 90 L HN 0.313 nan 8.230 nan 0.000 0.487 91 N N 1.220 119.837 118.700 -0.138 0.000 2.780 91 N HA -0.151 5.095 4.740 0.844 0.000 0.248 91 N C -0.389 175.105 175.510 -0.027 0.000 1.102 91 N CA 0.632 53.709 53.050 0.045 0.000 0.697 91 N CB -0.508 37.974 38.487 -0.009 0.000 1.028 91 N HN 0.066 nan 8.380 nan 0.000 0.554 92 K N 1.086 121.437 120.400 -0.083 0.000 2.356 92 K HA 0.160 4.987 4.320 0.844 0.000 0.243 92 K C 1.032 177.554 176.600 -0.130 0.000 1.072 92 K CA -0.276 55.883 56.287 -0.213 0.000 1.014 92 K CB 0.909 33.123 32.500 -0.478 0.000 1.523 92 K HN 0.461 nan 8.250 nan 0.000 0.455 93 Q N 1.580 121.136 119.800 -0.407 0.000 2.083 93 Q HA -0.119 4.728 4.340 0.844 0.000 0.198 93 Q C 0.989 176.873 176.000 -0.193 0.000 0.969 93 Q CA 1.328 56.668 55.803 -0.772 0.000 0.838 93 Q CB 0.460 28.415 28.738 -1.304 0.000 0.900 93 Q HN 0.373 nan 8.270 nan 0.000 0.436 94 E N 0.622 120.768 120.200 -0.091 0.000 2.051 94 E HA -0.211 4.645 4.350 0.844 0.000 0.192 94 E C 1.871 178.594 176.600 0.206 0.000 0.991 94 E CA 1.351 57.795 56.400 0.075 0.000 0.799 94 E CB 0.023 29.746 29.700 0.039 0.000 0.748 94 E HN 0.399 nan 8.360 nan 0.000 0.449 95 E N 0.399 120.692 120.200 0.155 0.000 2.058 95 E HA -0.171 4.685 4.350 0.844 0.000 0.194 95 E C 1.764 178.609 176.600 0.409 0.000 0.997 95 E CA 0.898 57.428 56.400 0.216 0.000 0.801 95 E CB -0.457 29.215 29.700 -0.047 0.000 0.746 95 E HN 0.187 nan 8.360 nan 0.000 0.450 96 F N 1.811 121.911 119.950 0.249 0.000 2.069 96 F HA -0.251 4.782 4.527 0.844 0.000 0.298 96 F C 1.642 177.713 175.800 0.453 0.000 1.113 96 F CA 1.861 60.077 58.000 0.360 0.000 1.214 96 F CB -0.212 39.025 39.000 0.394 0.000 0.978 96 F HN -0.057 nan 8.300 nan 0.000 0.474 97 D N 0.027 120.890 120.400 0.772 0.000 2.144 97 D HA -0.173 4.973 4.640 0.844 0.000 0.199 97 D C 1.946 178.654 176.300 0.680 0.000 0.984 97 D CA 1.214 55.715 54.000 0.836 0.000 0.834 97 D CB -0.554 40.683 40.800 0.728 0.000 0.955 97 D HN 0.304 nan 8.370 nan 0.000 0.465 98 N N 0.250 119.295 118.700 0.575 0.000 2.188 98 N HA -0.064 5.182 4.740 0.844 0.000 0.184 98 N C 2.036 177.894 175.510 0.581 0.000 1.018 98 N CA 0.415 53.828 53.050 0.605 0.000 0.858 98 N CB -0.302 38.536 38.487 0.584 0.000 0.989 98 N HN 0.261 nan 8.380 nan 0.000 0.426 99 L N -0.691 120.848 121.223 0.526 0.000 2.072 99 L HA -0.070 4.776 4.340 0.844 0.000 0.205 99 L C 2.403 179.522 176.870 0.415 0.000 1.079 99 L CA 0.760 55.881 54.840 0.468 0.000 0.752 99 L CB -0.300 42.007 42.059 0.413 0.000 0.906 99 L HN 0.359 nan 8.230 nan 0.000 0.436 100 W N 1.473 122.815 121.300 0.069 0.000 2.388 100 W HA -0.200 4.967 4.660 0.843 0.000 0.294 100 W C 2.613 179.124 176.519 -0.014 0.000 1.212 100 W CA 0.972 58.242 57.345 -0.125 0.000 1.271 100 W CB -0.032 29.211 29.460 -0.361 0.000 1.126 100 W HN 0.117 nan 8.180 nan 0.000 0.535 101 R N 0.034 120.575 120.500 0.068 0.000 2.091 101 R HA -0.261 4.585 4.340 0.844 0.000 0.238 101 R C 2.364 178.635 176.300 -0.048 0.000 1.136 101 R CA 2.103 58.259 56.100 0.093 0.000 0.959 101 R CB -1.150 29.388 30.300 0.397 0.000 0.856 101 R HN 0.207 nan 8.270 nan 0.000 0.437 102 F N 0.840 120.824 119.950 0.057 0.000 2.102 102 F HA -0.179 4.855 4.527 0.845 0.000 0.298 102 F C 2.169 177.971 175.800 0.003 0.000 1.105 102 F CA 1.672 59.761 58.000 0.149 0.000 1.239 102 F CB -0.535 38.658 39.000 0.321 0.000 0.991 102 F HN 0.107 nan 8.300 nan 0.000 0.474 103 A N 0.075 123.008 122.820 0.188 0.000 1.865 103 A HA -0.263 4.564 4.320 0.844 0.000 0.217 103 A C 2.309 179.756 177.584 -0.229 0.000 1.191 103 A CA 2.018 54.105 52.037 0.083 0.000 0.623 103 A CB -0.947 18.047 19.000 -0.010 0.000 0.826 103 A HN 0.456 nan 8.150 nan 0.000 0.444 104 K N -0.614 119.370 120.400 -0.693 0.000 2.097 104 K HA -0.055 4.771 4.320 0.844 0.000 0.206 104 K C 2.070 178.370 176.600 -0.500 0.000 1.049 104 K CA 1.132 57.014 56.287 -0.676 0.000 0.933 104 K CB -0.250 31.614 32.500 -1.060 0.000 0.717 104 K HN 0.409 nan 8.250 nan 0.000 0.442 105 A N -0.315 122.140 122.820 -0.607 0.000 1.898 105 A HA -0.060 4.767 4.320 0.844 0.000 0.214 105 A C 1.329 178.460 177.584 -0.755 0.000 1.183 105 A CA 0.983 52.548 52.037 -0.787 0.000 0.622 105 A CB -0.274 17.976 19.000 -1.250 0.000 0.824 105 A HN 0.367 nan 8.150 nan 0.000 0.444 106 Y N -1.282 118.751 120.300 -0.445 0.000 2.581 106 Y HA 0.189 5.245 4.550 0.844 0.000 0.271 106 Y C 2.383 178.073 175.900 -0.350 0.000 1.100 106 Y CA 0.426 58.230 58.100 -0.493 0.000 1.281 106 Y CB -0.172 37.730 38.460 -0.931 0.000 1.237 106 Y HN 0.275 nan 8.280 nan 0.000 0.514 107 Q N 0.696 120.423 119.800 -0.122 0.000 2.250 107 Q HA -0.015 4.831 4.340 0.844 0.000 0.200 107 Q C 0.782 176.623 176.000 -0.265 0.000 0.941 107 Q CA 0.354 56.145 55.803 -0.020 0.000 0.872 107 Q CB 0.300 29.219 28.738 0.302 0.000 0.965 107 Q HN 0.121 nan 8.270 nan 0.000 0.480 108 K N 2.142 122.187 120.400 -0.591 0.000 2.447 108 K HA 0.012 4.838 4.320 0.844 0.000 0.281 108 K C -0.885 175.453 176.600 -0.437 0.000 1.031 108 K CA 0.066 55.772 56.287 -0.968 0.000 1.019 108 K CB 0.325 32.312 32.500 -0.855 0.000 0.918 108 K HN 0.094 nan 8.250 nan 0.000 0.476 109 N N 5.340 123.841 118.700 -0.333 0.000 2.530 109 N HA 0.154 5.400 4.740 0.844 0.000 0.273 109 N C -2.461 172.996 175.510 -0.089 0.000 1.173 109 N CA -1.374 51.600 53.050 -0.126 0.000 0.967 109 N CB 0.749 39.177 38.487 -0.098 0.000 1.109 109 N HN 0.436 nan 8.380 nan 0.000 0.453 110 P HA -0.026 nan 4.420 nan 0.000 0.267 110 P C -0.248 177.066 177.300 0.024 0.000 1.200 110 P CA 0.047 63.142 63.100 -0.007 0.000 0.772 110 P CB 0.685 32.390 31.700 0.008 0.000 0.855 111 D N 1.163 121.565 120.400 0.005 0.000 2.310 111 D HA -0.108 5.039 4.640 0.844 0.000 0.212 111 D C 0.954 177.276 176.300 0.036 0.000 0.965 111 D CA 1.218 55.230 54.000 0.020 0.000 0.879 111 D CB -0.266 40.540 40.800 0.012 0.000 0.921 111 D HN 0.501 nan 8.370 nan 0.000 0.510 112 N N -0.284 118.437 118.700 0.035 0.000 2.273 112 N HA -0.080 5.166 4.740 0.844 0.000 0.231 112 N C -0.042 175.499 175.510 0.052 0.000 1.134 112 N CA -0.371 52.699 53.050 0.033 0.000 0.856 112 N CB -0.919 37.571 38.487 0.006 0.000 1.068 112 N HN 0.142 nan 8.380 nan 0.000 0.510 113 H N 1.761 120.825 119.070 -0.011 0.000 3.038 113 H HA 0.049 5.112 4.556 0.844 0.000 0.338 113 H C -1.151 174.181 175.328 0.007 0.000 1.041 113 H CA -0.508 55.538 56.048 -0.004 0.000 1.394 113 H CB 1.155 30.918 29.762 0.001 0.000 1.357 113 H HN -0.003 nan 8.280 nan 0.000 0.600 114 P HA -0.125 nan 4.420 nan 0.000 0.220 114 P C -0.060 177.352 177.300 0.186 0.000 1.148 114 P CA 1.087 64.215 63.100 0.047 0.000 0.803 114 P CB 0.206 31.877 31.700 -0.049 0.000 0.782 115 D N -0.347 120.320 120.400 0.446 0.000 2.347 115 D HA 0.300 5.446 4.640 0.844 0.000 0.235 115 D C 1.160 177.555 176.300 0.158 0.000 1.149 115 D CA -0.415 53.746 54.000 0.269 0.000 0.850 115 D CB 1.149 42.108 40.800 0.265 0.000 1.061 115 D HN -0.128 nan 8.370 nan 0.000 0.487 116 A N 4.904 127.783 122.820 0.098 0.000 2.024 116 A HA -0.185 4.642 4.320 0.844 0.000 0.220 116 A C 1.891 179.476 177.584 0.001 0.000 1.164 116 A CA 1.214 53.280 52.037 0.048 0.000 0.643 116 A CB -0.229 18.790 19.000 0.032 0.000 0.806 116 A HN 0.630 nan 8.150 nan 0.000 0.451 117 K N -0.559 119.830 120.400 -0.018 0.000 2.365 117 K HA -0.043 4.783 4.320 0.844 0.000 0.199 117 K C 1.457 177.987 176.600 -0.117 0.000 1.045 117 K CA 1.129 57.348 56.287 -0.114 0.000 0.962 117 K CB -0.031 32.307 32.500 -0.271 0.000 0.759 117 K HN 0.415 nan 8.250 nan 0.000 0.469 118 K N 0.637 120.970 120.400 -0.112 0.000 2.361 118 K HA 0.049 4.876 4.320 0.844 0.000 0.194 118 K C 0.023 176.534 176.600 -0.147 0.000 1.032 118 K CA -0.007 56.163 56.287 -0.195 0.000 1.048 118 K CB 0.481 32.668 32.500 -0.522 0.000 0.842 118 K HN 0.142 nan 8.250 nan 0.000 0.526 119 Q N 0.335 120.097 119.800 -0.062 0.000 2.255 119 Q HA 0.031 4.877 4.340 0.844 0.000 0.280 119 Q C 0.814 176.813 176.000 -0.002 0.000 1.068 119 Q CA 0.737 56.538 55.803 -0.003 0.000 0.911 119 Q CB 0.494 29.249 28.738 0.029 0.000 1.157 119 Q HN 0.474 nan 8.270 nan 0.000 0.380 120 G N 1.367 110.156 108.800 -0.017 0.000 2.189 120 G HA2 -0.315 4.151 3.960 0.844 0.000 0.267 120 G HA3 -0.315 4.151 3.960 0.844 0.000 0.267 120 G C 0.349 175.280 174.900 0.050 0.000 0.975 120 G CA 0.359 45.460 45.100 0.001 0.000 0.644 120 G HN 0.715 nan 8.290 nan 0.000 0.537 121 V N -2.658 117.278 119.914 0.037 0.000 3.214 121 V HA 0.780 5.406 4.120 0.844 0.000 0.306 121 V C 0.275 176.405 176.094 0.060 0.000 1.078 121 V CA -1.516 60.883 62.300 0.165 0.000 1.077 121 V CB 1.045 32.934 31.823 0.110 0.000 1.121 121 V HN 0.299 nan 8.190 nan 0.000 0.468 122 Y N 1.427 121.805 120.300 0.130 0.000 2.342 122 Y HA 0.700 5.756 4.550 0.844 0.000 0.338 122 Y C 0.816 176.814 175.900 0.163 0.000 0.965 122 Y CA -0.174 58.026 58.100 0.168 0.000 1.159 122 Y CB 0.997 39.652 38.460 0.325 0.000 1.157 122 Y HN 1.035 nan 8.280 nan 0.000 0.486 123 A N 5.110 128.012 122.820 0.136 0.000 2.545 123 A HA -0.057 4.770 4.320 0.844 0.000 0.253 123 A C 1.149 178.837 177.584 0.174 0.000 1.074 123 A CA -0.266 51.841 52.037 0.117 0.000 0.760 123 A CB -0.126 18.874 19.000 0.001 0.000 1.005 123 A HN 1.102 nan 8.150 nan 0.000 0.506 124 W N 2.909 124.237 121.300 0.045 0.000 2.519 124 W HA 0.114 5.280 4.660 0.844 0.000 0.266 124 W C 0.097 176.614 176.519 -0.003 0.000 1.253 124 W CA 0.716 58.081 57.345 0.032 0.000 1.274 124 W CB -0.024 29.447 29.460 0.018 0.000 1.114 124 W HN 0.568 nan 8.180 nan 0.000 0.596 125 K N 1.357 121.326 120.400 -0.719 0.000 2.578 125 K HA 0.378 5.204 4.320 0.844 0.000 0.250 125 K C -1.684 174.578 176.600 -0.562 0.000 0.955 125 K CA -0.583 55.171 56.287 -0.888 0.000 0.825 125 K CB 1.419 32.989 32.500 -1.550 0.000 1.151 125 K HN -0.165 nan 8.250 nan 0.000 0.432 126 L N 2.811 123.763 121.223 -0.451 0.000 2.313 126 L HA 0.607 5.453 4.340 0.844 0.000 0.268 126 L C -0.432 176.101 176.870 -0.562 0.000 1.010 126 L CA -0.475 54.077 54.840 -0.480 0.000 0.814 126 L CB 1.787 43.657 42.059 -0.316 0.000 1.304 126 L HN 0.596 nan 8.230 nan 0.000 0.441 127 K N 0.708 120.660 120.400 -0.746 0.000 2.509 127 K HA 0.640 5.466 4.320 0.844 0.000 0.266 127 K C -1.600 174.739 176.600 -0.435 0.000 0.987 127 K CA -0.856 55.088 56.287 -0.572 0.000 0.868 127 K CB 2.326 34.540 32.500 -0.477 0.000 1.421 127 K HN 0.330 nan 8.250 nan 0.000 0.444 128 L N 2.732 123.827 121.223 -0.213 0.000 2.312 128 L HA 0.263 5.110 4.340 0.844 0.000 0.281 128 L C 0.428 177.396 176.870 0.163 0.000 1.070 128 L CA -0.868 53.952 54.840 -0.032 0.000 0.805 128 L CB 0.590 42.606 42.059 -0.072 0.000 1.174 128 L HN 0.730 nan 8.230 nan 0.000 0.434 129 N N 1.907 120.767 118.700 0.265 0.000 2.322 129 N HA 0.073 5.319 4.740 0.844 0.000 0.270 129 N C 0.749 176.289 175.510 0.049 0.000 1.286 129 N CA 0.191 53.326 53.050 0.142 0.000 0.948 129 N CB 0.260 38.717 38.487 -0.050 0.000 1.164 129 N HN 0.558 nan 8.380 nan 0.000 0.551 130 Q N -0.923 118.880 119.800 0.005 0.000 2.364 130 Q HA -0.055 4.792 4.340 0.844 0.000 0.207 130 Q C 0.787 176.782 176.000 -0.008 0.000 0.970 130 Q CA 1.438 57.236 55.803 -0.007 0.000 0.888 130 Q CB -0.952 27.775 28.738 -0.019 0.000 0.951 130 Q HN 0.686 nan 8.270 nan 0.000 0.469 131 N N -1.018 117.696 118.700 0.024 0.000 2.280 131 N HA 0.256 5.502 4.740 0.844 0.000 0.192 131 N C 1.086 176.488 175.510 -0.180 0.000 1.109 131 N CA 0.880 53.938 53.050 0.013 0.000 0.855 131 N CB 1.239 39.837 38.487 0.186 0.000 0.974 131 N HN 0.663 nan 8.380 nan 0.000 0.482 132 G N 0.316 109.025 108.800 -0.151 0.000 2.157 132 G HA2 -0.244 4.222 3.960 0.844 0.000 0.239 132 G HA3 -0.244 4.222 3.960 0.844 0.000 0.239 132 G C -0.284 174.464 174.900 -0.254 0.000 0.982 132 G CA -0.352 44.598 45.100 -0.249 0.000 0.650 132 G HN 0.216 nan 8.290 nan 0.000 0.527 133 F N -0.188 119.812 119.950 0.083 0.000 2.422 133 F HA 0.673 5.706 4.527 0.844 0.000 0.333 133 F C 0.837 176.678 175.800 0.068 0.000 1.095 133 F CA -0.942 57.132 58.000 0.124 0.000 1.038 133 F CB 1.842 40.875 39.000 0.055 0.000 1.156 133 F HN 0.022 nan 8.300 nan 0.000 0.483 134 V N 4.708 124.684 119.914 0.104 0.000 2.715 134 V HA 0.309 4.935 4.120 0.844 0.000 0.299 134 V C -1.085 175.008 176.094 -0.002 0.000 1.054 134 V CA -0.020 62.152 62.300 -0.214 0.000 1.077 134 V CB 0.633 31.971 31.823 -0.809 0.000 0.972 134 V HN 0.684 nan 8.190 nan 0.000 0.484 135 Y N 3.163 123.352 120.300 -0.185 0.000 2.609 135 Y HA 0.625 5.682 4.550 0.845 0.000 0.336 135 Y C -0.865 174.950 175.900 -0.142 0.000 1.129 135 Y CA -1.874 56.147 58.100 -0.131 0.000 1.040 135 Y CB 1.131 39.538 38.460 -0.087 0.000 1.310 135 Y HN 0.497 nan 8.280 nan 0.000 0.460 136 K N 1.945 122.274 120.400 -0.118 0.000 2.276 136 K HA 0.415 5.242 4.320 0.844 0.000 0.285 136 K C 0.065 176.566 176.600 -0.165 0.000 1.062 136 K CA -0.402 55.770 56.287 -0.191 0.000 0.918 136 K CB 2.005 34.466 32.500 -0.065 0.000 1.055 136 K HN 0.663 nan 8.250 nan 0.000 0.477 137 V N 1.111 120.823 119.914 -0.337 0.000 2.426 137 V HA -0.080 4.547 4.120 0.844 0.000 0.242 137 V C 0.443 176.456 176.094 -0.134 0.000 1.036 137 V CA 1.207 63.377 62.300 -0.217 0.000 1.044 137 V CB -0.046 31.571 31.823 -0.343 0.000 0.688 137 V HN 0.791 nan 8.190 nan 0.000 0.462 138 D N -0.804 119.465 120.400 -0.219 0.000 2.686 138 D HA 0.231 5.378 4.640 0.844 0.000 0.249 138 D C 0.495 176.778 176.300 -0.029 0.000 1.260 138 D CA -0.285 53.665 54.000 -0.083 0.000 0.910 138 D CB 2.024 42.784 40.800 -0.066 0.000 1.323 138 D HN 0.223 nan 8.370 nan 0.000 0.561 139 E N 1.462 121.692 120.200 0.051 0.000 2.358 139 E HA 0.105 4.961 4.350 0.844 0.000 0.195 139 E C 1.138 177.810 176.600 0.121 0.000 1.010 139 E CA -0.018 56.418 56.400 0.060 0.000 0.856 139 E CB 0.320 30.050 29.700 0.049 0.000 0.795 139 E HN 0.472 nan 8.360 nan 0.000 0.504 140 G N 3.093 112.021 108.800 0.215 0.000 2.544 140 G HA2 0.138 4.605 3.960 0.844 0.000 0.242 140 G HA3 0.138 4.605 3.960 0.844 0.000 0.242 140 G C -2.324 172.750 174.900 0.291 0.000 1.247 140 G CA -0.892 44.356 45.100 0.247 0.000 0.840 140 G HN -0.041 nan 8.290 nan 0.000 0.578 141 P HA 0.439 nan 4.420 nan 0.000 0.281 141 P C -0.930 176.373 177.300 0.005 0.000 1.264 141 P CA -0.482 62.706 63.100 0.146 0.000 0.824 141 P CB 1.862 33.620 31.700 0.098 0.000 1.092 142 A N 2.175 125.001 122.820 0.009 0.000 2.508 142 A HA 0.492 5.319 4.320 0.844 0.000 0.336 142 A C -1.915 175.534 177.584 -0.225 0.000 1.360 142 A CA -1.607 50.338 52.037 -0.153 0.000 0.841 142 A CB 0.274 19.204 19.000 -0.116 0.000 1.136 142 A HN 0.244 nan 8.150 nan 0.000 0.489 143 P HA -0.162 nan 4.420 nan 0.000 0.221 143 P C 0.914 178.047 177.300 -0.279 0.000 1.145 143 P CA 1.441 64.430 63.100 -0.185 0.000 0.795 143 P CB 0.228 31.907 31.700 -0.036 0.000 0.775 144 D N -1.142 118.847 120.400 -0.684 0.000 2.310 144 D HA -0.085 5.061 4.640 0.844 0.000 0.212 144 D C 2.031 178.312 176.300 -0.031 0.000 0.965 144 D CA 1.249 55.095 54.000 -0.256 0.000 0.879 144 D CB -1.361 39.333 40.800 -0.177 0.000 0.921 144 D HN 0.111 nan 8.370 nan 0.000 0.510 145 G N 0.904 109.576 108.800 -0.213 0.000 2.433 145 G HA2 -0.307 4.159 3.960 0.844 0.000 0.216 145 G HA3 -0.307 4.159 3.960 0.844 0.000 0.216 145 G C 1.592 176.296 174.900 -0.326 0.000 1.186 145 G CA 0.797 45.669 45.100 -0.379 0.000 0.779 145 G HN 0.262 nan 8.290 nan 0.000 0.543 146 E N 0.693 120.880 120.200 -0.021 0.000 2.085 146 E HA -0.072 4.785 4.350 0.844 0.000 0.194 146 E C 2.444 179.144 176.600 0.166 0.000 0.994 146 E CA 1.274 57.769 56.400 0.158 0.000 0.801 146 E CB -0.163 29.646 29.700 0.181 0.000 0.743 146 E HN 0.623 nan 8.360 nan 0.000 0.453 147 E N -0.502 119.816 120.200 0.196 0.000 2.058 147 E HA -0.217 4.639 4.350 0.844 0.000 0.194 147 E C 1.912 178.722 176.600 0.350 0.000 0.997 147 E CA 1.227 57.824 56.400 0.328 0.000 0.801 147 E CB -0.265 29.648 29.700 0.355 0.000 0.746 147 E HN 0.371 nan 8.360 nan 0.000 0.450 148 Y N -0.434 120.009 120.300 0.239 0.000 2.242 148 Y HA -0.187 4.869 4.550 0.843 0.000 0.291 148 Y C 2.047 178.056 175.900 0.183 0.000 1.137 148 Y CA 0.945 59.208 58.100 0.271 0.000 1.181 148 Y CB -0.146 38.472 38.460 0.262 0.000 0.989 148 Y HN 0.018 nan 8.280 nan 0.000 0.527 149 F N -0.594 119.457 119.950 0.167 0.000 2.095 149 F HA -0.256 4.779 4.527 0.846 0.000 0.298 149 F C 2.490 178.197 175.800 -0.156 0.000 1.104 149 F CA 1.032 58.992 58.000 -0.066 0.000 1.232 149 F CB -1.344 37.526 39.000 -0.216 0.000 0.987 149 F HN 0.005 nan 8.300 nan 0.000 0.475 150 A N -0.255 122.604 122.820 0.065 0.000 1.883 150 A HA -0.250 4.576 4.320 0.844 0.000 0.217 150 A C 2.172 179.723 177.584 -0.055 0.000 1.186 150 A CA 1.667 53.614 52.037 -0.149 0.000 0.624 150 A CB -1.510 17.243 19.000 -0.412 0.000 0.822 150 A HN 0.360 nan 8.150 nan 0.000 0.444 151 F N 1.041 120.978 119.950 -0.022 0.000 2.069 151 F HA -0.146 4.889 4.527 0.846 0.000 0.298 151 F C 2.544 178.249 175.800 -0.158 0.000 1.113 151 F CA 1.518 59.432 58.000 -0.144 0.000 1.214 151 F CB -0.608 37.919 39.000 -0.789 0.000 0.978 151 F HN 0.246 nan 8.300 nan 0.000 0.474 152 A N 0.451 123.229 122.820 -0.070 0.000 1.902 152 A HA -0.126 4.700 4.320 0.844 0.000 0.217 152 A C 2.303 179.820 177.584 -0.111 0.000 1.181 152 A CA 1.805 53.800 52.037 -0.069 0.000 0.623 152 A CB -1.199 17.947 19.000 0.245 0.000 0.818 152 A HN 0.515 nan 8.150 nan 0.000 0.443 153 L N -0.748 120.408 121.223 -0.112 0.000 2.056 153 L HA -0.156 4.690 4.340 0.844 0.000 0.207 153 L C 2.550 179.281 176.870 -0.233 0.000 1.078 153 L CA 0.956 55.688 54.840 -0.180 0.000 0.749 153 L CB -0.476 41.389 42.059 -0.325 0.000 0.901 153 L HN 0.366 nan 8.230 nan 0.000 0.433 154 L N -0.413 120.682 121.223 -0.214 0.000 2.046 154 L HA -0.234 4.613 4.340 0.844 0.000 0.208 154 L C 2.121 178.874 176.870 -0.194 0.000 1.077 154 L CA 1.567 56.325 54.840 -0.136 0.000 0.747 154 L CB -0.568 41.446 42.059 -0.076 0.000 0.896 154 L HN 0.339 nan 8.230 nan 0.000 0.432 155 N N -0.242 118.228 118.700 -0.382 0.000 2.188 155 N HA -0.137 5.109 4.740 0.844 0.000 0.184 155 N C 1.889 176.911 175.510 -0.813 0.000 1.018 155 N CA 1.209 53.945 53.050 -0.523 0.000 0.858 155 N CB -0.186 37.871 38.487 -0.716 0.000 0.989 155 N HN 0.307 nan 8.380 nan 0.000 0.426 156 A N 0.129 122.347 122.820 -1.004 0.000 1.902 156 A HA -0.183 4.644 4.320 0.844 0.000 0.217 156 A C 2.261 179.256 177.584 -0.981 0.000 1.181 156 A CA 1.877 52.964 52.037 -1.583 0.000 0.623 156 A CB -1.103 16.690 19.000 -2.011 0.000 0.818 156 A HN 0.307 nan 8.150 nan 0.000 0.443 157 S N -0.223 115.210 115.700 -0.444 0.000 2.365 157 S HA -0.131 4.846 4.470 0.844 0.000 0.225 157 S C 2.169 176.667 174.600 -0.170 0.000 1.039 157 S CA 1.921 60.086 58.200 -0.059 0.000 1.033 157 S CB -0.529 62.748 63.200 0.129 0.000 0.887 157 S HN 0.896 nan 8.310 nan 0.000 0.447 158 A N 1.354 124.018 122.820 -0.260 0.000 1.930 158 A HA 0.010 4.836 4.320 0.844 0.000 0.217 158 A C 2.307 179.710 177.584 -0.301 0.000 1.175 158 A CA 1.187 53.091 52.037 -0.222 0.000 0.627 158 A CB -0.447 18.477 19.000 -0.127 0.000 0.815 158 A HN 0.638 nan 8.150 nan 0.000 0.443 159 R N -2.138 118.008 120.500 -0.589 0.000 2.100 159 R HA -0.033 4.814 4.340 0.844 0.000 0.220 159 R C 1.257 177.359 176.300 -0.330 0.000 1.091 159 R CA 1.056 56.749 56.100 -0.678 0.000 0.986 159 R CB -0.056 29.454 30.300 -1.317 0.000 0.888 159 R HN 0.723 nan 8.270 nan 0.000 0.444 160 W N 0.085 121.251 121.300 -0.224 0.000 2.868 160 W HA 0.393 5.559 4.660 0.844 0.000 0.320 160 W C 0.690 177.214 176.519 0.009 0.000 1.076 160 W CA 0.359 57.636 57.345 -0.113 0.000 1.576 160 W CB -0.187 29.191 29.460 -0.137 0.000 1.030 160 W HN 0.179 nan 8.180 nan 0.000 0.558 161 G N 2.036 110.949 108.800 0.190 0.000 2.828 161 G HA2 -0.272 4.195 3.960 0.844 0.000 0.463 161 G HA3 -0.272 4.195 3.960 0.844 0.000 0.463 161 G C 0.163 175.231 174.900 0.279 0.000 1.394 161 G CA -0.034 45.164 45.100 0.164 0.000 0.862 161 G HN 0.126 nan 8.290 nan 0.000 0.540 162 N N 0.081 118.881 118.700 0.166 0.000 2.291 162 N HA 0.190 5.436 4.740 0.844 0.000 0.244 162 N C 1.495 177.042 175.510 0.061 0.000 1.216 162 N CA 0.694 53.826 53.050 0.136 0.000 0.879 162 N CB 0.890 39.459 38.487 0.138 0.000 1.167 162 N HN 0.897 nan 8.380 nan 0.000 0.515 163 S N -1.722 114.011 115.700 0.055 0.000 2.554 163 S HA 0.285 5.261 4.470 0.844 0.000 0.226 163 S C 1.100 175.700 174.600 -0.000 0.000 0.980 163 S CA -0.443 57.770 58.200 0.023 0.000 0.939 163 S CB 0.677 63.892 63.200 0.024 0.000 0.832 163 S HN 0.168 nan 8.310 nan 0.000 0.486 164 G N 1.637 110.433 108.800 -0.007 0.000 2.666 164 G HA2 0.299 4.765 3.960 0.844 0.000 0.207 164 G HA3 0.299 4.765 3.960 0.844 0.000 0.207 164 G C 0.521 175.347 174.900 -0.123 0.000 1.481 164 G CA -0.016 45.060 45.100 -0.041 0.000 1.071 164 G HN 0.342 nan 8.290 nan 0.000 0.572 165 E N -1.223 118.859 120.200 -0.196 0.000 2.097 165 E HA -0.108 4.748 4.350 0.844 0.000 0.196 165 E C -0.195 176.056 176.600 -0.583 0.000 1.000 165 E CA 0.756 56.901 56.400 -0.425 0.000 0.804 165 E CB -0.098 29.254 29.700 -0.580 0.000 0.740 165 E HN 0.185 nan 8.360 nan 0.000 0.454 166 F N 0.386 120.228 119.950 -0.181 0.000 2.469 166 F HA 0.285 5.319 4.527 0.845 0.000 0.332 166 F C 0.304 175.889 175.800 -0.360 0.000 1.103 166 F CA -1.200 56.647 58.000 -0.255 0.000 0.979 166 F CB 1.241 40.040 39.000 -0.335 0.000 1.137 166 F HN -0.185 nan 8.300 nan 0.000 0.463 167 N N 2.839 121.590 118.700 0.084 0.000 2.807 167 N HA 0.019 5.265 4.740 0.844 0.000 0.259 167 N C 0.653 176.264 175.510 0.168 0.000 1.149 167 N CA 0.126 53.234 53.050 0.097 0.000 1.042 167 N CB -0.141 38.425 38.487 0.131 0.000 1.367 167 N HN 0.490 nan 8.380 nan 0.000 0.516 168 Y N 1.456 121.905 120.300 0.248 0.000 2.151 168 Y HA -0.280 4.776 4.550 0.844 0.000 0.284 168 Y C 1.906 177.832 175.900 0.045 0.000 1.166 168 Y CA 1.523 59.689 58.100 0.110 0.000 1.163 168 Y CB -0.780 37.703 38.460 0.039 0.000 0.974 168 Y HN 0.539 nan 8.280 nan 0.000 0.511 169 Y N 0.899 121.293 120.300 0.156 0.000 2.145 169 Y HA -0.293 4.763 4.550 0.844 0.000 0.286 169 Y C 2.567 178.506 175.900 0.064 0.000 1.145 169 Y CA 1.952 60.095 58.100 0.071 0.000 1.148 169 Y CB -1.077 37.422 38.460 0.066 0.000 0.981 169 Y HN 0.218 nan 8.280 nan 0.000 0.507 170 N N -0.038 118.749 118.700 0.145 0.000 2.120 170 N HA -0.201 5.046 4.740 0.844 0.000 0.188 170 N C 1.546 177.065 175.510 0.014 0.000 1.024 170 N CA 1.772 54.861 53.050 0.065 0.000 0.852 170 N CB -0.950 37.618 38.487 0.136 0.000 1.003 170 N HN 0.440 nan 8.380 nan 0.000 0.424 171 D N -0.061 120.386 120.400 0.078 0.000 2.144 171 D HA 0.015 5.161 4.640 0.844 0.000 0.199 171 D C 2.414 178.669 176.300 -0.075 0.000 0.984 171 D CA 1.364 55.426 54.000 0.104 0.000 0.834 171 D CB -0.432 40.511 40.800 0.238 0.000 0.955 171 D HN 0.610 nan 8.370 nan 0.000 0.465 172 A N 0.977 123.681 122.820 -0.194 0.000 1.898 172 A HA -0.130 4.696 4.320 0.844 0.000 0.216 172 A C 2.145 179.536 177.584 -0.320 0.000 1.181 172 A CA 0.793 52.651 52.037 -0.298 0.000 0.620 172 A CB -0.427 18.364 19.000 -0.348 0.000 0.819 172 A HN 0.112 nan 8.150 nan 0.000 0.442 173 I N 0.236 120.588 120.570 -0.363 0.000 2.286 173 I HA -0.161 4.515 4.170 0.844 0.000 0.248 173 I C 2.448 178.492 176.117 -0.121 0.000 1.115 173 I CA 1.860 62.994 61.300 -0.277 0.000 1.392 173 I CB -1.999 35.825 38.000 -0.294 0.000 1.065 173 I HN 0.232 nan 8.210 nan 0.000 0.418 174 T N 0.931 115.446 114.554 -0.065 0.000 2.746 174 T HA -0.226 4.630 4.350 0.844 0.000 0.267 174 T C 1.895 176.610 174.700 0.026 0.000 1.039 174 T CA 1.594 63.700 62.100 0.011 0.000 1.142 174 T CB -0.237 68.671 68.868 0.066 0.000 0.866 174 T HN 0.158 nan 8.240 nan 0.000 0.444 175 M N 0.887 120.482 119.600 -0.009 0.000 2.117 175 M HA 0.046 5.032 4.480 0.844 0.000 0.262 175 M C 1.872 178.157 176.300 -0.025 0.000 1.065 175 M CA 1.457 56.755 55.300 -0.003 0.000 1.114 175 M CB -0.669 31.877 32.600 -0.089 0.000 1.361 175 M HN 0.182 nan 8.290 nan 0.000 0.408 176 L N -0.250 120.897 121.223 -0.126 0.000 2.042 176 L HA -0.234 4.612 4.340 0.844 0.000 0.210 176 L C 2.611 179.580 176.870 0.165 0.000 1.076 176 L CA 1.715 56.518 54.840 -0.061 0.000 0.749 176 L CB -1.861 40.077 42.059 -0.201 0.000 0.893 176 L HN 0.638 nan 8.230 nan 0.000 0.432 177 N N -0.415 118.331 118.700 0.076 0.000 2.166 177 N HA -0.187 5.059 4.740 0.844 0.000 0.186 177 N C 1.857 177.404 175.510 0.062 0.000 1.019 177 N CA 2.040 55.124 53.050 0.056 0.000 0.856 177 N CB -1.094 37.406 38.487 0.022 0.000 0.993 177 N HN 0.315 nan 8.380 nan 0.000 0.426 178 T N 0.405 115.010 114.554 0.084 0.000 2.746 178 T HA 0.021 4.877 4.350 0.844 0.000 0.267 178 T C 2.000 176.772 174.700 0.119 0.000 1.039 178 T CA 1.106 63.266 62.100 0.101 0.000 1.142 178 T CB -0.278 68.677 68.868 0.145 0.000 0.866 178 T HN 0.525 nan 8.240 nan 0.000 0.444 179 I N 0.833 121.503 120.570 0.168 0.000 2.179 179 I HA -0.198 4.478 4.170 0.844 0.000 0.242 179 I C 2.608 178.844 176.117 0.199 0.000 1.088 179 I CA 1.405 62.842 61.300 0.228 0.000 1.357 179 I CB -0.322 37.890 38.000 0.354 0.000 1.051 179 I HN 0.185 nan 8.210 nan 0.000 0.409 180 K N 0.894 121.400 120.400 0.176 0.000 2.057 180 K HA -0.195 4.632 4.320 0.844 0.000 0.207 180 K C 1.786 178.362 176.600 -0.039 0.000 1.049 180 K CA 1.757 58.036 56.287 -0.014 0.000 0.931 180 K CB 0.008 32.336 32.500 -0.287 0.000 0.714 180 K HN 0.275 nan 8.250 nan 0.000 0.440 181 N N -0.056 118.631 118.700 -0.022 0.000 2.415 181 N HA -0.028 5.218 4.740 0.844 0.000 0.176 181 N C 0.960 176.461 175.510 -0.015 0.000 1.042 181 N CA 0.740 53.771 53.050 -0.031 0.000 0.902 181 N CB 0.425 38.896 38.487 -0.026 0.000 0.986 181 N HN 0.155 nan 8.380 nan 0.000 0.447 182 K N -0.102 120.303 120.400 0.008 0.000 2.435 182 K HA 0.335 5.161 4.320 0.844 0.000 0.199 182 K C 0.974 177.569 176.600 -0.010 0.000 1.153 182 K CA 0.176 56.457 56.287 -0.010 0.000 0.974 182 K CB 1.116 33.618 32.500 0.004 0.000 0.997 182 K HN 0.094 nan 8.250 nan 0.000 0.547 183 L N 0.526 121.773 121.223 0.039 0.000 3.122 183 L HA 0.358 5.205 4.340 0.844 0.000 0.274 183 L C -0.205 176.711 176.870 0.077 0.000 1.222 183 L CA -0.098 54.776 54.840 0.058 0.000 1.028 183 L CB 0.403 42.522 42.059 0.100 0.000 1.386 183 L HN -0.086 nan 8.230 nan 0.000 0.578 184 M N 0.685 120.319 119.600 0.058 0.000 2.465 184 M HA 0.390 5.376 4.480 0.844 0.000 0.316 184 M C -0.837 175.478 176.300 0.025 0.000 1.121 184 M CA -0.062 55.271 55.300 0.055 0.000 0.934 184 M CB 2.620 35.266 32.600 0.076 0.000 1.692 184 M HN -0.026 nan 8.290 nan 0.000 0.444 185 E N 1.081 121.293 120.200 0.019 0.000 2.216 185 E HA 0.449 5.305 4.350 0.844 0.000 0.260 185 E C 0.224 176.822 176.600 -0.003 0.000 0.880 185 E CA 0.401 56.805 56.400 0.006 0.000 0.765 185 E CB 0.804 30.508 29.700 0.006 0.000 1.174 185 E HN 0.938 nan 8.360 nan 0.000 0.417 186 N N 4.247 122.942 118.700 -0.008 0.000 2.727 186 N HA -0.295 4.951 4.740 0.844 0.000 0.249 186 N C 0.382 175.857 175.510 -0.059 0.000 1.048 186 N CA 1.610 54.646 53.050 -0.025 0.000 0.714 186 N CB -2.146 36.326 38.487 -0.025 0.000 0.959 186 N HN 0.817 nan 8.380 nan 0.000 0.544 187 Q N -3.295 116.460 119.800 -0.075 0.000 2.460 187 Q HA -0.150 4.696 4.340 0.844 0.000 0.248 187 Q C -0.371 175.534 176.000 -0.158 0.000 0.847 187 Q CA 1.507 57.191 55.803 -0.198 0.000 1.214 187 Q CB -1.379 27.160 28.738 -0.331 0.000 1.523 187 Q HN 0.960 nan 8.270 nan 0.000 0.602 188 I N 0.655 121.190 120.570 -0.060 0.000 2.465 188 I HA 0.339 5.015 4.170 0.844 0.000 0.291 188 I C 0.322 176.451 176.117 0.019 0.000 1.014 188 I CA -1.327 59.975 61.300 0.004 0.000 1.093 188 I CB 1.353 39.396 38.000 0.071 0.000 1.267 188 I HN 0.012 nan 8.210 nan 0.000 0.431 189 I N 6.569 127.131 120.570 -0.013 0.000 2.775 189 I HA -0.010 4.666 4.170 0.844 0.000 0.290 189 I C 0.599 176.802 176.117 0.143 0.000 1.203 189 I CA 0.596 61.940 61.300 0.073 0.000 1.433 189 I CB 0.101 38.150 38.000 0.082 0.000 1.354 189 I HN 0.502 nan 8.210 nan 0.000 0.579 190 R N 5.611 126.203 120.500 0.153 0.000 2.531 190 R HA 0.138 4.984 4.340 0.844 0.000 0.273 190 R C 0.533 176.995 176.300 0.270 0.000 1.070 190 R CA -0.300 55.891 56.100 0.152 0.000 1.112 190 R CB 0.516 30.860 30.300 0.073 0.000 1.049 190 R HN 0.704 nan 8.270 nan 0.000 0.508 191 F N 0.287 120.274 119.950 0.062 0.000 2.234 191 F HA 0.049 5.082 4.527 0.844 0.000 0.296 191 F C 0.664 176.490 175.800 0.045 0.000 1.089 191 F CA 0.883 58.920 58.000 0.061 0.000 1.343 191 F CB 0.439 39.363 39.000 -0.125 0.000 1.040 191 F HN 0.354 nan 8.300 nan 0.000 0.498 192 S N -1.174 114.516 115.700 -0.017 0.000 2.536 192 S HA 0.388 5.365 4.470 0.844 0.000 0.271 192 S C -2.177 172.360 174.600 -0.106 0.000 1.134 192 S CA -1.265 56.863 58.200 -0.119 0.000 0.897 192 S CB 1.550 64.696 63.200 -0.091 0.000 1.094 192 S HN -0.184 nan 8.310 nan 0.000 0.473 193 P HA -0.014 nan 4.420 nan 0.000 0.221 193 P C 0.014 177.042 177.300 -0.453 0.000 1.145 193 P CA 1.157 64.010 63.100 -0.412 0.000 0.795 193 P CB -0.049 31.222 31.700 -0.714 0.000 0.775 194 Y N -1.800 118.473 120.300 -0.045 0.000 2.457 194 Y HA 0.290 5.346 4.550 0.843 0.000 0.263 194 Y C 1.038 176.916 175.900 -0.036 0.000 1.164 194 Y CA -0.152 57.926 58.100 -0.037 0.000 1.274 194 Y CB 0.054 38.488 38.460 -0.043 0.000 1.097 194 Y HN -0.132 nan 8.280 nan 0.000 0.523 195 I N 0.105 120.706 120.570 0.052 0.000 2.533 195 I HA 0.273 4.949 4.170 0.844 0.000 0.290 195 I C -1.023 175.106 176.117 0.019 0.000 1.056 195 I CA -0.959 60.362 61.300 0.034 0.000 1.057 195 I CB 1.977 39.976 38.000 -0.002 0.000 1.240 195 I HN -0.172 nan 8.210 nan 0.000 0.423 196 D N 3.601 124.013 120.400 0.020 0.000 2.387 196 D HA 0.206 5.353 4.640 0.844 0.000 0.255 196 D C 0.358 176.662 176.300 0.007 0.000 1.081 196 D CA -0.163 53.843 54.000 0.011 0.000 0.994 196 D CB 0.803 41.608 40.800 0.009 0.000 1.127 196 D HN 0.567 nan 8.370 nan 0.000 0.513 197 N N -0.329 118.371 118.700 0.001 0.000 2.725 197 N HA -0.216 5.031 4.740 0.844 0.000 0.251 197 N C -1.628 173.869 175.510 -0.021 0.000 1.031 197 N CA 0.285 53.329 53.050 -0.010 0.000 0.720 197 N CB -1.003 37.478 38.487 -0.010 0.000 0.930 197 N HN 0.321 nan 8.380 nan 0.000 0.543 198 L N -0.045 121.170 121.223 -0.013 0.000 2.516 198 L HA 0.675 5.521 4.340 0.844 0.000 0.267 198 L C -0.300 176.567 176.870 -0.006 0.000 0.957 198 L CA -0.150 54.666 54.840 -0.039 0.000 0.860 198 L CB 1.835 43.874 42.059 -0.033 0.000 1.265 198 L HN 0.148 nan 8.230 nan 0.000 0.403 199 T N 1.736 116.253 114.554 -0.061 0.000 2.864 199 T HA 0.534 5.390 4.350 0.844 0.000 0.289 199 T C -1.960 172.624 174.700 -0.195 0.000 1.082 199 T CA -0.422 61.672 62.100 -0.009 0.000 1.009 199 T CB 1.462 70.406 68.868 0.127 0.000 1.234 199 T HN 0.656 nan 8.240 nan 0.000 0.526 200 D N 1.120 121.389 120.400 -0.218 0.000 2.469 200 D HA 0.399 5.546 4.640 0.844 0.000 0.251 200 D C -1.929 174.251 176.300 -0.200 0.000 1.173 200 D CA -2.146 51.593 54.000 -0.435 0.000 0.882 200 D CB 2.095 42.356 40.800 -0.897 0.000 1.129 200 D HN 0.101 nan 8.370 nan 0.000 0.549 201 P HA -0.205 nan 4.420 nan 0.000 0.216 201 P C 1.445 178.828 177.300 0.138 0.000 1.154 201 P CA 1.539 64.552 63.100 -0.144 0.000 0.865 201 P CB 0.166 31.588 31.700 -0.463 0.000 0.789 202 S N -2.484 113.300 115.700 0.139 0.000 2.469 202 S HA -0.191 4.785 4.470 0.844 0.000 0.238 202 S C 1.572 176.465 174.600 0.489 0.000 0.998 202 S CA 0.954 59.334 58.200 0.301 0.000 0.957 202 S CB -1.377 62.022 63.200 0.331 0.000 0.764 202 S HN 0.084 nan 8.310 nan 0.000 0.514 203 Y N 1.276 121.738 120.300 0.271 0.000 2.546 203 Y HA 0.256 5.312 4.550 0.843 0.000 0.287 203 Y C 1.066 177.038 175.900 0.121 0.000 1.158 203 Y CA -0.816 57.414 58.100 0.217 0.000 1.307 203 Y CB -0.889 37.680 38.460 0.181 0.000 1.036 203 Y HN 0.436 nan 8.280 nan 0.000 0.532 204 H N 1.027 120.273 119.070 0.293 0.000 2.782 204 H HA 0.318 5.380 4.556 0.844 0.000 0.285 204 H C -0.272 175.097 175.328 0.068 0.000 1.093 204 H CA 0.115 56.310 56.048 0.245 0.000 1.410 204 H CB 0.524 30.403 29.762 0.195 0.000 1.439 204 H HN 0.052 nan 8.280 nan 0.000 0.469 205 I N 6.225 126.719 120.570 -0.126 0.000 2.698 205 I HA 0.147 4.824 4.170 0.844 0.000 0.276 205 I C -1.969 173.798 176.117 -0.582 0.000 1.166 205 I CA -1.837 59.169 61.300 -0.489 0.000 1.101 205 I CB 1.790 39.120 38.000 -1.118 0.000 1.305 205 I HN 0.251 nan 8.210 nan 0.000 0.526 206 P HA -0.199 nan 4.420 nan 0.000 0.215 206 P C 1.686 178.990 177.300 0.007 0.000 1.153 206 P CA 1.284 64.440 63.100 0.094 0.000 0.853 206 P CB 0.373 32.252 31.700 0.298 0.000 0.788 207 A N -1.284 121.543 122.820 0.011 0.000 1.978 207 A HA -0.207 4.620 4.320 0.844 0.000 0.220 207 A C 1.918 179.596 177.584 0.157 0.000 1.170 207 A CA 1.371 53.521 52.037 0.188 0.000 0.636 207 A CB -1.711 17.440 19.000 0.253 0.000 0.810 207 A HN 0.038 nan 8.150 nan 0.000 0.448 208 F N -0.853 118.803 119.950 -0.490 0.000 2.126 208 F HA -0.154 4.881 4.527 0.846 0.000 0.299 208 F C 2.213 177.337 175.800 -1.126 0.000 1.096 208 F CA 0.712 58.140 58.000 -0.954 0.000 1.255 208 F CB -1.438 36.845 39.000 -1.194 0.000 0.997 208 F HN 0.367 nan 8.300 nan 0.000 0.479 209 Y N -0.018 120.104 120.300 -0.296 0.000 2.242 209 Y HA -0.159 4.897 4.550 0.844 0.000 0.291 209 Y C 2.330 178.302 175.900 0.120 0.000 1.137 209 Y CA 0.620 58.674 58.100 -0.077 0.000 1.181 209 Y CB -1.306 37.319 38.460 0.275 0.000 0.989 209 Y HN 0.054 nan 8.280 nan 0.000 0.527 210 D N -0.991 119.587 120.400 0.297 0.000 2.144 210 D HA -0.219 4.927 4.640 0.844 0.000 0.199 210 D C 1.983 178.519 176.300 0.393 0.000 0.984 210 D CA 1.310 55.531 54.000 0.368 0.000 0.834 210 D CB -0.535 40.511 40.800 0.409 0.000 0.955 210 D HN 0.402 nan 8.370 nan 0.000 0.465 211 Y N 0.998 121.356 120.300 0.096 0.000 2.181 211 Y HA -0.243 4.814 4.550 0.845 0.000 0.288 211 Y C 2.010 177.984 175.900 0.124 0.000 1.146 211 Y CA 1.304 59.404 58.100 0.001 0.000 1.164 211 Y CB -0.416 37.692 38.460 -0.587 0.000 0.982 211 Y HN -0.194 nan 8.280 nan 0.000 0.515 212 F N 0.308 120.213 119.950 -0.075 0.000 2.095 212 F HA -0.199 4.835 4.527 0.845 0.000 0.298 212 F C 2.719 178.434 175.800 -0.140 0.000 1.104 212 F CA 0.931 58.738 58.000 -0.322 0.000 1.232 212 F CB -1.724 36.845 39.000 -0.718 0.000 0.987 212 F HN 0.170 nan 8.300 nan 0.000 0.475 213 A N 0.342 123.344 122.820 0.304 0.000 1.908 213 A HA -0.219 4.607 4.320 0.844 0.000 0.218 213 A C 1.989 179.696 177.584 0.204 0.000 1.181 213 A CA 1.992 54.238 52.037 0.348 0.000 0.627 213 A CB -0.841 18.384 19.000 0.375 0.000 0.818 213 A HN 0.366 nan 8.150 nan 0.000 0.445 214 N N 0.176 118.985 118.700 0.181 0.000 2.515 214 N HA -0.019 5.227 4.740 0.844 0.000 0.185 214 N C 0.608 176.188 175.510 0.117 0.000 1.109 214 N CA 0.548 53.690 53.050 0.152 0.000 0.903 214 N CB -0.192 38.441 38.487 0.244 0.000 0.969 214 N HN 0.545 nan 8.380 nan 0.000 0.450 215 N N 0.163 118.896 118.700 0.055 0.000 2.177 215 N HA 0.053 5.299 4.740 0.844 0.000 0.218 215 N C -0.002 175.624 175.510 0.194 0.000 1.182 215 N CA 0.023 53.176 53.050 0.172 0.000 0.882 215 N CB 1.764 40.204 38.487 -0.078 0.000 1.052 215 N HN 0.032 nan 8.380 nan 0.000 0.519 216 V N -0.840 119.098 119.914 0.039 0.000 2.966 216 V HA 0.549 5.176 4.120 0.844 0.000 0.317 216 V C 1.134 177.137 176.094 -0.152 0.000 1.070 216 V CA -0.473 61.849 62.300 0.037 0.000 1.008 216 V CB 1.372 33.269 31.823 0.125 0.000 1.070 216 V HN 0.103 nan 8.190 nan 0.000 0.457 217 T N -1.206 113.285 114.554 -0.106 0.000 3.132 217 T HA 0.286 5.143 4.350 0.844 0.000 0.274 217 T C 0.289 174.945 174.700 -0.074 0.000 1.011 217 T CA -0.084 61.898 62.100 -0.198 0.000 0.899 217 T CB -1.016 67.766 68.868 -0.144 0.000 1.089 217 T HN 0.968 nan 8.240 nan 0.000 0.543 218 N N 0.480 119.169 118.700 -0.017 0.000 2.240 218 N HA 0.206 5.453 4.740 0.844 0.000 0.302 218 N C 0.599 176.123 175.510 0.023 0.000 1.106 218 N CA -0.745 52.307 53.050 0.004 0.000 0.778 218 N CB 2.616 41.113 38.487 0.017 0.000 1.431 218 N HN 0.070 nan 8.380 nan 0.000 0.479 219 Q N 1.597 121.409 119.800 0.019 0.000 2.096 219 Q HA -0.169 4.678 4.340 0.844 0.000 0.204 219 Q C 1.746 177.777 176.000 0.051 0.000 0.982 219 Q CA 2.244 58.067 55.803 0.032 0.000 0.850 219 Q CB -0.223 28.529 28.738 0.023 0.000 0.901 219 Q HN 0.802 nan 8.270 nan 0.000 0.422 220 A N 0.953 123.798 122.820 0.041 0.000 1.902 220 A HA -0.216 4.611 4.320 0.844 0.000 0.217 220 A C 1.627 179.257 177.584 0.077 0.000 1.181 220 A CA 1.849 53.913 52.037 0.045 0.000 0.623 220 A CB -0.544 18.466 19.000 0.018 0.000 0.818 220 A HN 0.479 nan 8.150 nan 0.000 0.443 221 D N -0.322 120.129 120.400 0.085 0.000 2.149 221 D HA -0.072 5.074 4.640 0.844 0.000 0.201 221 D C 1.918 178.391 176.300 0.288 0.000 0.972 221 D CA 1.123 55.214 54.000 0.152 0.000 0.835 221 D CB -0.248 40.646 40.800 0.157 0.000 0.966 221 D HN 0.481 nan 8.370 nan 0.000 0.476 222 K N 0.483 121.013 120.400 0.217 0.000 2.026 222 K HA -0.113 4.713 4.320 0.844 0.000 0.208 222 K C 1.862 178.597 176.600 0.224 0.000 1.048 222 K CA 1.119 57.547 56.287 0.235 0.000 0.929 222 K CB -0.165 32.416 32.500 0.134 0.000 0.713 222 K HN 0.062 nan 8.250 nan 0.000 0.439 223 N N 0.081 118.872 118.700 0.151 0.000 2.120 223 N HA -0.193 5.053 4.740 0.844 0.000 0.188 223 N C 1.629 177.191 175.510 0.086 0.000 1.024 223 N CA 1.074 54.189 53.050 0.108 0.000 0.852 223 N CB -0.245 38.285 38.487 0.072 0.000 1.003 223 N HN 0.212 nan 8.380 nan 0.000 0.424 224 Y N -0.221 120.052 120.300 -0.043 0.000 2.097 224 Y HA -0.264 4.792 4.550 0.844 0.000 0.282 224 Y C 1.556 177.334 175.900 -0.204 0.000 1.152 224 Y CA 1.706 59.685 58.100 -0.202 0.000 1.136 224 Y CB -0.446 37.788 38.460 -0.377 0.000 0.975 224 Y HN 0.160 nan 8.280 nan 0.000 0.498 225 W N -0.431 120.986 121.300 0.194 0.000 2.436 225 W HA -0.060 5.106 4.660 0.843 0.000 0.284 225 W C 2.771 179.355 176.519 0.109 0.000 1.225 225 W CA 1.676 59.123 57.345 0.170 0.000 1.271 225 W CB -0.503 29.179 29.460 0.369 0.000 1.114 225 W HN -0.036 nan 8.180 nan 0.000 0.559 226 R N 0.686 121.359 120.500 0.288 0.000 2.092 226 R HA -0.172 4.674 4.340 0.844 0.000 0.231 226 R C 1.591 177.950 176.300 0.099 0.000 1.119 226 R CA 1.958 58.182 56.100 0.208 0.000 0.970 226 R CB -1.281 29.117 30.300 0.163 0.000 0.864 226 R HN 0.426 nan 8.270 nan 0.000 0.440 227 Q N -0.040 119.748 119.800 -0.020 0.000 2.119 227 Q HA -0.038 4.808 4.340 0.844 0.000 0.201 227 Q C 2.349 178.258 176.000 -0.151 0.000 0.972 227 Q CA 1.498 57.241 55.803 -0.101 0.000 0.847 227 Q CB -0.137 28.492 28.738 -0.181 0.000 0.903 227 Q HN 0.410 nan 8.270 nan 0.000 0.433 228 V N 1.032 120.786 119.914 -0.267 0.000 2.332 228 V HA -0.322 4.304 4.120 0.844 0.000 0.248 228 V C 2.258 178.302 176.094 -0.083 0.000 1.055 228 V CA 1.883 63.996 62.300 -0.311 0.000 1.038 228 V CB -1.040 30.505 31.823 -0.463 0.000 0.651 228 V HN 0.435 nan 8.190 nan 0.000 0.450 229 A N -0.298 122.621 122.820 0.166 0.000 1.883 229 A HA -0.250 4.576 4.320 0.844 0.000 0.217 229 A C 2.410 180.124 177.584 0.217 0.000 1.186 229 A CA 2.659 54.910 52.037 0.357 0.000 0.624 229 A CB -1.078 18.145 19.000 0.372 0.000 0.822 229 A HN 0.503 nan 8.150 nan 0.000 0.444 230 T N -0.087 114.540 114.554 0.122 0.000 2.746 230 T HA -0.124 4.732 4.350 0.844 0.000 0.267 230 T C 1.900 176.613 174.700 0.023 0.000 1.039 230 T CA 1.728 63.871 62.100 0.071 0.000 1.142 230 T CB -0.199 68.693 68.868 0.041 0.000 0.866 230 T HN 0.530 nan 8.240 nan 0.000 0.444 231 K N 0.827 121.226 120.400 -0.002 0.000 2.211 231 K HA 0.014 4.840 4.320 0.844 0.000 0.203 231 K C 2.699 179.311 176.600 0.020 0.000 1.050 231 K CA 0.918 57.190 56.287 -0.025 0.000 0.945 231 K CB -0.150 32.314 32.500 -0.060 0.000 0.732 231 K HN 0.171 nan 8.250 nan 0.000 0.451 232 S N 0.864 116.634 115.700 0.117 0.000 2.371 232 S HA -0.069 4.907 4.470 0.844 0.000 0.224 232 S C 1.873 176.533 174.600 0.100 0.000 1.029 232 S CA 0.829 59.204 58.200 0.291 0.000 0.978 232 S CB 0.058 63.588 63.200 0.550 0.000 0.833 232 S HN 0.222 nan 8.310 nan 0.000 0.466 233 R N 0.130 120.657 120.500 0.044 0.000 2.096 233 R HA -0.047 4.799 4.340 0.844 0.000 0.235 233 R C 2.395 178.425 176.300 -0.450 0.000 1.127 233 R CA 1.821 57.797 56.100 -0.207 0.000 0.968 233 R CB -0.954 29.314 30.300 -0.054 0.000 0.861 233 R HN 0.392 nan 8.270 nan 0.000 0.440 234 T N 2.247 116.648 114.554 -0.255 0.000 2.746 234 T HA -0.092 4.764 4.350 0.844 0.000 0.267 234 T C 1.714 176.262 174.700 -0.254 0.000 1.039 234 T CA 0.834 62.780 62.100 -0.257 0.000 1.142 234 T CB -0.174 68.605 68.868 -0.149 0.000 0.866 234 T HN 0.113 nan 8.240 nan 0.000 0.444 235 L N 1.075 122.168 121.223 -0.216 0.000 2.012 235 L HA -0.045 4.801 4.340 0.844 0.000 0.210 235 L C 2.206 178.908 176.870 -0.280 0.000 1.073 235 L CA 1.851 56.539 54.840 -0.253 0.000 0.748 235 L CB -1.065 40.794 42.059 -0.332 0.000 0.891 235 L HN 0.333 nan 8.230 nan 0.000 0.431 236 L N -0.157 120.880 121.223 -0.309 0.000 2.046 236 L HA -0.243 4.603 4.340 0.844 0.000 0.208 236 L C 2.740 179.540 176.870 -0.117 0.000 1.077 236 L CA 1.313 56.057 54.840 -0.160 0.000 0.747 236 L CB -0.469 41.571 42.059 -0.032 0.000 0.896 236 L HN 0.259 nan 8.230 nan 0.000 0.432 237 K N -0.091 120.006 120.400 -0.505 0.000 2.032 237 K HA -0.171 4.655 4.320 0.844 0.000 0.209 237 K C 1.939 178.464 176.600 -0.124 0.000 1.048 237 K CA 1.542 57.599 56.287 -0.383 0.000 0.927 237 K CB -0.236 31.909 32.500 -0.592 0.000 0.712 237 K HN 0.281 nan 8.250 nan 0.000 0.441 238 N N 0.416 119.026 118.700 -0.150 0.000 2.120 238 N HA -0.169 5.078 4.740 0.844 0.000 0.188 238 N C 1.765 177.232 175.510 -0.072 0.000 1.024 238 N CA 1.262 54.253 53.050 -0.098 0.000 0.852 238 N CB -0.509 37.914 38.487 -0.107 0.000 1.003 238 N HN 0.296 nan 8.380 nan 0.000 0.424 239 H N -0.143 118.807 119.070 -0.200 0.000 2.321 239 H HA -0.013 5.048 4.556 0.842 0.000 0.300 239 H C 1.586 176.737 175.328 -0.295 0.000 1.087 239 H CA 1.573 57.450 56.048 -0.285 0.000 1.319 239 H CB -0.385 29.143 29.762 -0.390 0.000 1.379 239 H HN 0.101 nan 8.280 nan 0.000 0.501 240 F N -0.178 119.714 119.950 -0.097 0.000 2.234 240 F HA -0.150 4.879 4.527 0.836 0.000 0.299 240 F C 2.662 178.390 175.800 -0.121 0.000 1.087 240 F CA 1.578 59.516 58.000 -0.104 0.000 1.340 240 F CB -0.631 38.388 39.000 0.032 0.000 1.031 240 F HN 0.159 nan 8.300 nan 0.000 0.500 241 T N -0.367 114.208 114.554 0.035 0.000 2.746 241 T HA -0.179 4.677 4.350 0.844 0.000 0.267 241 T C 1.967 176.617 174.700 -0.083 0.000 1.039 241 T CA 1.310 63.399 62.100 -0.018 0.000 1.142 241 T CB -0.176 68.675 68.868 -0.030 0.000 0.866 241 T HN 0.187 nan 8.240 nan 0.000 0.444 242 K N 0.934 121.248 120.400 -0.144 0.000 2.211 242 K HA -0.010 4.816 4.320 0.844 0.000 0.203 242 K C 2.206 178.694 176.600 -0.187 0.000 1.050 242 K CA 1.042 57.232 56.287 -0.161 0.000 0.945 242 K CB -0.110 32.281 32.500 -0.182 0.000 0.732 242 K HN 0.377 nan 8.250 nan 0.000 0.451 243 V N -1.995 117.732 119.914 -0.311 0.000 3.649 243 V HA 0.097 4.723 4.120 0.844 0.000 0.275 243 V C 0.492 176.499 176.094 -0.144 0.000 1.281 243 V CA -0.223 61.921 62.300 -0.259 0.000 1.143 243 V CB 0.213 31.761 31.823 -0.460 0.000 0.892 243 V HN -0.072 nan 8.190 nan 0.000 0.441 244 S N 1.506 117.137 115.700 -0.116 0.000 2.549 244 S HA 0.529 5.506 4.470 0.844 0.000 0.283 244 S C 1.010 175.470 174.600 -0.234 0.000 1.320 244 S CA 0.572 58.710 58.200 -0.104 0.000 1.058 244 S CB 0.320 63.486 63.200 -0.058 0.000 0.882 244 S HN 1.523 nan 8.310 nan 0.000 0.498 245 G N 2.691 111.312 108.800 -0.299 0.000 2.601 245 G HA2 -0.249 4.218 3.960 0.844 0.000 0.261 245 G HA3 -0.249 4.218 3.960 0.844 0.000 0.261 245 G C 0.141 174.239 174.900 -1.337 0.000 1.289 245 G CA -0.128 44.559 45.100 -0.688 0.000 0.920 245 G HN 0.986 nan 8.290 nan 0.000 0.571 246 S N 1.189 115.972 115.700 -1.528 0.000 2.562 246 S HA 0.507 5.483 4.470 0.844 0.000 0.281 246 S C -0.144 174.063 174.600 -0.654 0.000 1.333 246 S CA 0.016 57.455 58.200 -1.269 0.000 1.052 246 S CB 1.060 63.917 63.200 -0.572 0.000 0.884 246 S HN 0.677 nan 8.310 nan 0.000 0.506 247 P HA 0.179 nan 4.420 nan 0.000 0.264 247 P C 0.366 177.399 177.300 -0.444 0.000 1.259 247 P CA 0.270 63.057 63.100 -0.521 0.000 0.841 247 P CB 0.145 31.593 31.700 -0.420 0.000 1.232 248 H N -1.959 116.960 119.070 -0.251 0.000 2.551 248 H HA 0.078 5.138 4.556 0.840 0.000 0.266 248 H C 0.055 175.280 175.328 -0.171 0.000 0.964 248 H CA 0.292 56.267 56.048 -0.123 0.000 1.180 248 H CB -0.333 29.330 29.762 -0.166 0.000 1.408 248 H HN 0.137 nan 8.280 nan 0.000 0.563 249 W N 1.566 122.800 121.300 -0.111 0.000 5.963 249 W HA -0.300 4.868 4.660 0.847 0.000 0.400 249 W C 0.051 176.335 176.519 -0.392 0.000 1.530 249 W CA 0.507 57.701 57.345 -0.252 0.000 1.004 249 W CB -2.354 26.923 29.460 -0.305 0.000 2.706 249 W HN 0.371 nan 8.180 nan 0.000 1.495 250 N N -2.716 115.933 118.700 -0.085 0.000 2.965 250 N HA -0.204 5.042 4.740 0.844 0.000 0.232 250 N C -0.268 175.207 175.510 -0.058 0.000 0.913 250 N CA 1.657 54.690 53.050 -0.028 0.000 0.981 250 N CB -1.409 37.119 38.487 0.069 0.000 1.077 250 N HN 0.389 nan 8.380 nan 0.000 0.589 251 L N 1.996 123.099 121.223 -0.201 0.000 2.309 251 L HA 0.500 5.346 4.340 0.844 0.000 0.282 251 L C -1.773 175.050 176.870 -0.078 0.000 1.036 251 L CA -1.544 53.194 54.840 -0.170 0.000 0.806 251 L CB 1.599 43.394 42.059 -0.440 0.000 1.220 251 L HN -0.188 nan 8.230 nan 0.000 0.429 252 P HA 0.165 nan 4.420 nan 0.000 0.274 252 P C -0.675 176.766 177.300 0.234 0.000 1.256 252 P CA -0.259 62.840 63.100 -0.001 0.000 0.795 252 P CB 1.043 32.741 31.700 -0.004 0.000 1.038 253 T N -2.875 111.862 114.554 0.305 0.000 2.940 253 T HA 0.302 5.159 4.350 0.844 0.000 0.288 253 T C 0.832 175.608 174.700 0.126 0.000 1.045 253 T CA -0.564 61.645 62.100 0.182 0.000 1.018 253 T CB 0.524 69.427 68.868 0.059 0.000 1.151 253 T HN 0.213 nan 8.240 nan 0.000 0.529 254 F N 1.302 121.226 119.950 -0.044 0.000 2.069 254 F HA 0.265 5.299 4.527 0.844 0.000 0.298 254 F C 0.230 175.892 175.800 -0.230 0.000 1.113 254 F CA 0.861 58.790 58.000 -0.117 0.000 1.214 254 F CB -0.528 38.414 39.000 -0.097 0.000 0.978 254 F HN 0.452 nan 8.300 nan 0.000 0.474 255 L N -0.312 120.625 121.223 -0.477 0.000 2.354 255 L HA 0.468 5.314 4.340 0.844 0.000 0.264 255 L C -0.441 176.197 176.870 -0.387 0.000 1.008 255 L CA -0.776 53.669 54.840 -0.658 0.000 0.819 255 L CB 1.890 43.407 42.059 -0.904 0.000 1.339 255 L HN -0.072 nan 8.230 nan 0.000 0.420 256 S N 0.789 116.272 115.700 -0.361 0.000 2.546 256 S HA 0.624 5.600 4.470 0.844 0.000 0.274 256 S C -0.762 173.724 174.600 -0.190 0.000 1.121 256 S CA -0.882 57.162 58.200 -0.261 0.000 0.887 256 S CB 1.649 64.621 63.200 -0.380 0.000 1.094 256 S HN 0.461 nan 8.310 nan 0.000 0.474 257 R N 2.075 122.499 120.500 -0.127 0.000 2.738 257 R HA 0.332 5.178 4.340 0.844 0.000 0.275 257 R C 1.264 177.513 176.300 -0.085 0.000 1.121 257 R CA -0.471 55.576 56.100 -0.089 0.000 1.207 257 R CB -0.316 29.948 30.300 -0.061 0.000 1.141 257 R HN 0.757 nan 8.270 nan 0.000 0.571 258 L N 0.945 122.133 121.223 -0.059 0.000 2.465 258 L HA -0.117 4.729 4.340 0.844 0.000 0.224 258 L C 1.195 178.027 176.870 -0.063 0.000 1.145 258 L CA 0.924 55.733 54.840 -0.052 0.000 0.834 258 L CB -0.447 41.594 42.059 -0.030 0.000 0.944 258 L HN 0.599 nan 8.230 nan 0.000 0.451 259 D N -0.668 119.695 120.400 -0.061 0.000 2.339 259 D HA 0.043 5.190 4.640 0.844 0.000 0.217 259 D C 1.427 177.686 176.300 -0.069 0.000 1.050 259 D CA 0.699 54.662 54.000 -0.062 0.000 0.856 259 D CB 0.368 41.139 40.800 -0.049 0.000 0.922 259 D HN 0.202 nan 8.370 nan 0.000 0.518 260 G N -0.267 108.487 108.800 -0.076 0.000 2.175 260 G HA2 -0.266 4.200 3.960 0.844 0.000 0.244 260 G HA3 -0.266 4.200 3.960 0.844 0.000 0.244 260 G C 0.244 175.160 174.900 0.028 0.000 0.982 260 G CA 0.153 45.230 45.100 -0.038 0.000 0.641 260 G HN 0.384 nan 8.290 nan 0.000 0.527 261 S N 2.747 118.429 115.700 -0.030 0.000 2.516 261 S HA 0.447 5.423 4.470 0.844 0.000 0.282 261 S C -1.880 172.691 174.600 -0.048 0.000 1.286 261 S CA -0.516 57.658 58.200 -0.042 0.000 1.066 261 S CB 1.239 64.418 63.200 -0.035 0.000 0.884 261 S HN 0.274 nan 8.310 nan 0.000 0.491 262 P HA 0.026 nan 4.420 nan 0.000 0.265 262 P C -0.604 176.643 177.300 -0.088 0.000 1.187 262 P CA -0.162 62.863 63.100 -0.125 0.000 0.766 262 P CB 0.349 31.825 31.700 -0.374 0.000 0.820 263 V N 5.231 125.070 119.914 -0.125 0.000 2.555 263 V HA 0.070 4.696 4.120 0.844 0.000 0.286 263 V C 0.605 176.645 176.094 -0.090 0.000 1.044 263 V CA 0.071 62.300 62.300 -0.117 0.000 1.026 263 V CB 0.214 31.921 31.823 -0.194 0.000 0.981 263 V HN 0.350 nan 8.190 nan 0.000 0.480 264 I N 4.954 125.503 120.570 -0.035 0.000 2.315 264 I HA 0.607 5.284 4.170 0.844 0.000 0.291 264 I C 0.893 176.981 176.117 -0.048 0.000 1.006 264 I CA 0.545 61.849 61.300 0.007 0.000 1.265 264 I CB 0.106 38.165 38.000 0.098 0.000 1.387 264 I HN 0.895 nan 8.210 nan 0.000 0.475 265 G N 6.475 115.202 108.800 -0.122 0.000 2.598 265 G HA2 -0.279 4.187 3.960 0.844 0.000 0.244 265 G HA3 -0.279 4.187 3.960 0.844 0.000 0.244 265 G C -0.810 173.874 174.900 -0.360 0.000 1.302 265 G CA -0.425 44.551 45.100 -0.206 0.000 0.903 265 G HN 0.461 nan 8.290 nan 0.000 0.575 266 Y N 0.340 120.569 120.300 -0.118 0.000 2.310 266 Y HA 0.555 5.612 4.550 0.845 0.000 0.326 266 Y C 1.715 177.543 175.900 -0.119 0.000 1.151 266 Y CA 0.274 58.272 58.100 -0.170 0.000 1.195 266 Y CB 1.181 39.538 38.460 -0.172 0.000 1.210 266 Y HN 0.670 nan 8.280 nan 0.000 0.483 267 I N -0.891 119.683 120.570 0.007 0.000 4.557 267 I HA 0.396 5.073 4.170 0.844 0.000 0.333 267 I C -0.767 175.457 176.117 0.178 0.000 1.332 267 I CA -0.210 61.136 61.300 0.077 0.000 1.240 267 I CB 0.705 38.758 38.000 0.088 0.000 1.312 267 I HN 0.291 nan 8.210 nan 0.000 0.457 268 F N -0.055 119.950 119.950 0.092 0.000 2.641 268 F HA 0.531 5.564 4.527 0.843 0.000 0.308 268 F C -1.096 174.759 175.800 0.092 0.000 1.105 268 F CA -1.306 56.746 58.000 0.087 0.000 0.964 268 F CB 0.395 39.454 39.000 0.098 0.000 1.294 268 F HN -0.178 nan 8.300 nan 0.000 0.442 269 N N 1.099 119.924 118.700 0.207 0.000 2.468 269 N HA 0.417 5.663 4.740 0.844 0.000 0.265 269 N C 0.814 176.455 175.510 0.219 0.000 1.199 269 N CA 1.080 54.195 53.050 0.108 0.000 0.928 269 N CB 0.816 39.366 38.487 0.105 0.000 1.059 269 N HN 1.198 nan 8.380 nan 0.000 0.467 270 G N 1.313 110.157 108.800 0.074 0.000 2.195 270 G HA2 -0.295 4.171 3.960 0.844 0.000 0.224 270 G HA3 -0.295 4.171 3.960 0.844 0.000 0.224 270 G C 0.104 175.073 174.900 0.115 0.000 0.990 270 G CA -0.398 44.801 45.100 0.165 0.000 0.639 270 G HN 0.631 nan 8.290 nan 0.000 0.514 271 Q N 0.540 120.159 119.800 -0.303 0.000 2.300 271 Q HA 0.556 5.403 4.340 0.844 0.000 0.280 271 Q C 1.681 177.708 176.000 0.045 0.000 1.033 271 Q CA 0.720 56.285 55.803 -0.396 0.000 0.903 271 Q CB 0.905 29.083 28.738 -0.933 0.000 1.195 271 Q HN 0.720 nan 8.270 nan 0.000 0.386 272 A N 4.895 127.811 122.820 0.159 0.000 1.930 272 A HA 0.005 4.831 4.320 0.844 0.000 0.215 272 A C 0.285 177.884 177.584 0.025 0.000 1.176 272 A CA 0.915 53.009 52.037 0.095 0.000 0.632 272 A CB 0.187 19.217 19.000 0.049 0.000 0.819 272 A HN 0.825 nan 8.150 nan 0.000 0.445 273 N N -1.719 116.935 118.700 -0.077 0.000 2.494 273 N HA 0.368 5.614 4.740 0.844 0.000 0.270 273 N C -3.338 171.744 175.510 -0.713 0.000 1.285 273 N CA -1.446 51.325 53.050 -0.464 0.000 0.812 273 N CB 1.212 39.410 38.487 -0.482 0.000 1.557 273 N HN -0.210 nan 8.380 nan 0.000 0.487 274 P HA 0.047 nan 4.420 nan 0.000 0.266 274 P C 0.894 177.909 177.300 -0.476 0.000 1.193 274 P CA 0.165 62.596 63.100 -1.114 0.000 0.770 274 P CB 0.432 31.474 31.700 -1.098 0.000 0.836 275 G N 2.401 110.992 108.800 -0.347 0.000 2.448 275 G HA2 -0.225 4.242 3.960 0.844 0.000 0.219 275 G HA3 -0.225 4.242 3.960 0.844 0.000 0.219 275 G C 1.021 175.873 174.900 -0.080 0.000 1.127 275 G CA 0.324 45.294 45.100 -0.217 0.000 0.766 275 G HN 0.627 nan 8.290 nan 0.000 0.552 276 Q N -0.663 119.097 119.800 -0.067 0.000 2.360 276 Q HA 0.020 4.867 4.340 0.844 0.000 0.202 276 Q C -0.163 175.932 176.000 0.159 0.000 0.915 276 Q CA -0.485 55.306 55.803 -0.020 0.000 0.943 276 Q CB -0.142 28.521 28.738 -0.124 0.000 1.064 276 Q HN 0.369 nan 8.270 nan 0.000 0.511 277 W N 1.866 123.138 121.300 -0.046 0.000 2.216 277 W HA 0.147 5.326 4.660 0.865 0.000 0.326 277 W C -0.047 176.525 176.519 0.087 0.000 1.319 277 W CA -1.314 56.035 57.345 0.007 0.000 1.213 277 W CB -0.121 29.319 29.460 -0.033 0.000 1.171 277 W HN 0.105 nan 8.180 nan 0.000 0.557 278 Y N 5.228 125.630 120.300 0.170 0.000 2.539 278 Y HA 0.266 5.325 4.550 0.849 0.000 0.352 278 Y C 0.121 176.078 175.900 0.095 0.000 1.004 278 Y CA -0.065 58.130 58.100 0.158 0.000 1.278 278 Y CB -0.135 38.435 38.460 0.184 0.000 1.136 278 Y HN 0.518 nan 8.280 nan 0.000 0.528 279 E N 3.135 123.136 120.200 -0.331 0.000 2.419 279 E HA 0.315 5.172 4.350 0.844 0.000 0.222 279 E C 0.144 176.098 176.600 -1.076 0.000 0.826 279 E CA -0.453 55.561 56.400 -0.644 0.000 0.903 279 E CB -0.187 29.323 29.700 -0.316 0.000 1.838 279 E HN 0.300 nan 8.360 nan 0.000 0.403 280 F N 0.784 120.217 119.950 -0.862 0.000 2.091 280 F HA -0.116 4.925 4.527 0.856 0.000 0.299 280 F C 1.687 177.069 175.800 -0.697 0.000 1.103 280 F CA 1.896 59.134 58.000 -1.271 0.000 1.228 280 F CB -0.738 37.817 39.000 -0.741 0.000 0.984 280 F HN 0.323 nan 8.300 nan 0.000 0.477 281 D N 0.247 120.555 120.400 -0.153 0.000 2.097 281 D HA -0.130 5.016 4.640 0.844 0.000 0.195 281 D C 2.352 178.693 176.300 0.067 0.000 0.989 281 D CA 1.536 55.589 54.000 0.088 0.000 0.827 281 D CB -0.714 40.231 40.800 0.241 0.000 0.966 281 D HN 0.203 nan 8.370 nan 0.000 0.456 282 A N 0.423 123.221 122.820 -0.035 0.000 2.024 282 A HA -0.182 4.645 4.320 0.844 0.000 0.220 282 A C 1.795 179.454 177.584 0.126 0.000 1.164 282 A CA 1.003 53.066 52.037 0.044 0.000 0.643 282 A CB -1.046 17.971 19.000 0.027 0.000 0.806 282 A HN 0.275 nan 8.150 nan 0.000 0.451 283 W N 0.325 121.498 121.300 -0.210 0.000 2.308 283 W HA -0.165 5.024 4.660 0.880 0.000 0.301 283 W C 2.299 178.876 176.519 0.098 0.000 1.220 283 W CA 1.275 58.589 57.345 -0.052 0.000 1.240 283 W CB -0.769 28.686 29.460 -0.008 0.000 1.142 283 W HN 0.386 nan 8.180 nan 0.000 0.521 284 R N -0.302 120.396 120.500 0.329 0.000 2.276 284 R HA -0.005 4.841 4.340 0.844 0.000 0.203 284 R C 1.896 178.319 176.300 0.206 0.000 1.017 284 R CA 0.771 57.009 56.100 0.231 0.000 1.010 284 R CB -0.553 29.877 30.300 0.217 0.000 0.900 284 R HN 0.072 nan 8.270 nan 0.000 0.469 285 V N 2.363 122.431 119.914 0.256 0.000 2.255 285 V HA -0.265 4.361 4.120 0.844 0.000 0.247 285 V C 2.344 178.599 176.094 0.268 0.000 1.051 285 V CA 2.177 64.644 62.300 0.278 0.000 1.018 285 V CB -0.504 31.508 31.823 0.315 0.000 0.641 285 V HN 0.401 nan 8.190 nan 0.000 0.445 286 I N -1.978 118.748 120.570 0.261 0.000 2.676 286 I HA -0.199 4.478 4.170 0.844 0.000 0.259 286 I C 2.371 178.491 176.117 0.004 0.000 1.194 286 I CA 1.710 63.086 61.300 0.126 0.000 1.473 286 I CB -0.464 37.578 38.000 0.070 0.000 1.096 286 I HN 0.309 nan 8.210 nan 0.000 0.443 287 M N 1.996 121.597 119.600 0.002 0.000 2.108 287 M HA -0.203 4.783 4.480 0.844 0.000 0.261 287 M C 1.846 178.043 176.300 -0.171 0.000 1.066 287 M CA 2.023 57.253 55.300 -0.117 0.000 1.107 287 M CB -0.317 32.230 32.600 -0.088 0.000 1.356 287 M HN 0.310 nan 8.290 nan 0.000 0.406 288 N N 0.026 118.684 118.700 -0.070 0.000 2.166 288 N HA -0.118 5.128 4.740 0.844 0.000 0.186 288 N C 1.667 177.147 175.510 -0.050 0.000 1.019 288 N CA 1.456 54.451 53.050 -0.092 0.000 0.856 288 N CB -0.619 37.872 38.487 0.008 0.000 0.993 288 N HN 0.280 nan 8.380 nan 0.000 0.426 289 V N 0.798 120.724 119.914 0.020 0.000 2.343 289 V HA -0.134 4.493 4.120 0.844 0.000 0.247 289 V C 2.456 178.498 176.094 -0.085 0.000 1.051 289 V CA 2.011 64.319 62.300 0.013 0.000 1.036 289 V CB -1.240 30.559 31.823 -0.040 0.000 0.654 289 V HN 0.327 nan 8.190 nan 0.000 0.451 290 G N -0.344 108.366 108.800 -0.151 0.000 2.446 290 G HA2 -0.275 4.191 3.960 0.844 0.000 0.217 290 G HA3 -0.275 4.191 3.960 0.844 0.000 0.217 290 G C 1.667 176.443 174.900 -0.207 0.000 1.168 290 G CA 1.159 46.140 45.100 -0.198 0.000 0.771 290 G HN 0.464 nan 8.290 nan 0.000 0.551 291 L N 0.207 121.266 121.223 -0.272 0.000 1.989 291 L HA -0.131 4.716 4.340 0.844 0.000 0.211 291 L C 2.484 179.266 176.870 -0.146 0.000 1.071 291 L CA 2.573 57.255 54.840 -0.262 0.000 0.749 291 L CB -0.398 41.419 42.059 -0.403 0.000 0.890 291 L HN 0.282 nan 8.230 nan 0.000 0.431 292 D N -0.479 119.854 120.400 -0.112 0.000 2.117 292 D HA -0.197 4.949 4.640 0.844 0.000 0.197 292 D C 2.138 178.335 176.300 -0.171 0.000 0.987 292 D CA 1.467 55.446 54.000 -0.036 0.000 0.829 292 D CB 0.031 40.929 40.800 0.163 0.000 0.961 292 D HN 0.482 nan 8.370 nan 0.000 0.460 293 A N -0.597 122.006 122.820 -0.362 0.000 1.902 293 A HA -0.244 4.582 4.320 0.844 0.000 0.217 293 A C 2.194 179.608 177.584 -0.283 0.000 1.181 293 A CA 1.893 53.563 52.037 -0.612 0.000 0.623 293 A CB -1.120 17.504 19.000 -0.627 0.000 0.818 293 A HN 0.561 nan 8.150 nan 0.000 0.443 294 H N -1.029 117.867 119.070 -0.290 0.000 2.293 294 H HA -0.049 5.014 4.556 0.845 0.000 0.300 294 H C 1.836 177.012 175.328 -0.254 0.000 1.082 294 H CA 1.302 57.210 56.048 -0.233 0.000 1.308 294 H CB 0.008 29.676 29.762 -0.157 0.000 1.375 294 H HN 0.308 nan 8.280 nan 0.000 0.495 295 L N 0.132 121.171 121.223 -0.306 0.000 2.162 295 L HA -0.066 4.780 4.340 0.844 0.000 0.205 295 L C 1.599 178.329 176.870 -0.232 0.000 1.086 295 L CA 0.987 55.554 54.840 -0.455 0.000 0.778 295 L CB -0.217 41.488 42.059 -0.590 0.000 0.928 295 L HN 0.468 nan 8.230 nan 0.000 0.446 296 M N -1.273 118.255 119.600 -0.120 0.000 2.306 296 M HA 0.370 5.356 4.480 0.844 0.000 0.292 296 M C 0.561 176.830 176.300 -0.051 0.000 1.018 296 M CA 0.220 55.518 55.300 -0.004 0.000 1.007 296 M CB 0.299 32.965 32.600 0.110 0.000 1.510 296 M HN 0.130 nan 8.290 nan 0.000 0.537 297 G N 1.393 110.099 108.800 -0.158 0.000 2.906 297 G HA2 0.178 4.644 3.960 0.844 0.000 0.686 297 G HA3 0.178 4.644 3.960 0.844 0.000 0.686 297 G C -0.796 173.882 174.900 -0.368 0.000 1.170 297 G CA -0.622 44.365 45.100 -0.189 0.000 0.775 297 G HN 0.571 nan 8.290 nan 0.000 0.630 298 A N 2.369 124.964 122.820 -0.375 0.000 2.320 298 A HA 0.746 5.572 4.320 0.844 0.000 0.287 298 A C 0.404 177.848 177.584 -0.234 0.000 1.181 298 A CA -0.073 51.664 52.037 -0.500 0.000 0.831 298 A CB 0.716 19.501 19.000 -0.358 0.000 1.102 298 A HN 0.718 nan 8.150 nan 0.000 0.513 299 Q N 0.855 120.611 119.800 -0.074 0.000 2.378 299 Q HA 0.571 5.418 4.340 0.844 0.000 0.276 299 Q C 1.266 177.260 176.000 -0.009 0.000 1.083 299 Q CA -0.060 55.777 55.803 0.057 0.000 0.856 299 Q CB 1.601 30.464 28.738 0.209 0.000 1.383 299 Q HN 0.762 nan 8.270 nan 0.000 0.458 300 A N 1.248 124.090 122.820 0.037 0.000 1.948 300 A HA -0.170 4.656 4.320 0.844 0.000 0.220 300 A C 1.623 179.220 177.584 0.023 0.000 1.177 300 A CA 2.050 54.102 52.037 0.024 0.000 0.636 300 A CB -0.894 18.141 19.000 0.059 0.000 0.815 300 A HN 0.880 nan 8.150 nan 0.000 0.449 301 W N -0.194 121.083 121.300 -0.038 0.000 2.402 301 W HA -0.151 5.014 4.660 0.842 0.000 0.286 301 W C 1.504 177.906 176.519 -0.193 0.000 1.221 301 W CA 1.249 58.518 57.345 -0.126 0.000 1.257 301 W CB -1.100 28.265 29.460 -0.159 0.000 1.120 301 W HN 0.534 nan 8.180 nan 0.000 0.551 302 H N 1.480 119.922 119.070 -1.046 0.000 2.321 302 H HA -0.078 4.983 4.556 0.842 0.000 0.300 302 H C 2.218 177.235 175.328 -0.520 0.000 1.087 302 H CA 2.871 58.305 56.048 -1.022 0.000 1.319 302 H CB -0.281 28.919 29.762 -0.937 0.000 1.379 302 H HN 0.069 nan 8.280 nan 0.000 0.501 303 K N -0.137 120.134 120.400 -0.216 0.000 2.025 303 K HA -0.116 4.711 4.320 0.844 0.000 0.207 303 K C 2.528 179.041 176.600 -0.144 0.000 1.049 303 K CA 1.321 57.514 56.287 -0.157 0.000 0.933 303 K CB -0.158 32.276 32.500 -0.110 0.000 0.714 303 K HN 0.096 nan 8.250 nan 0.000 0.438 304 S N 0.671 116.300 115.700 -0.118 0.000 2.368 304 S HA -0.143 4.834 4.470 0.844 0.000 0.225 304 S C 2.101 176.607 174.600 -0.157 0.000 1.030 304 S CA 1.183 59.330 58.200 -0.088 0.000 0.999 304 S CB -0.252 62.932 63.200 -0.026 0.000 0.844 304 S HN 0.361 nan 8.310 nan 0.000 0.459 305 A N 0.815 123.453 122.820 -0.303 0.000 1.865 305 A HA -0.052 4.774 4.320 0.844 0.000 0.217 305 A C 2.370 179.693 177.584 -0.435 0.000 1.191 305 A CA 2.076 53.719 52.037 -0.657 0.000 0.623 305 A CB -1.159 17.022 19.000 -1.365 0.000 0.826 305 A HN 0.466 nan 8.150 nan 0.000 0.444 306 V N 0.671 120.381 119.914 -0.341 0.000 2.379 306 V HA -0.199 4.427 4.120 0.844 0.000 0.245 306 V C 2.288 178.270 176.094 -0.188 0.000 1.044 306 V CA 1.956 64.112 62.300 -0.241 0.000 1.036 306 V CB -0.983 30.708 31.823 -0.221 0.000 0.664 306 V HN 0.533 nan 8.190 nan 0.000 0.453 307 N N 0.585 119.195 118.700 -0.150 0.000 2.104 307 N HA -0.169 5.078 4.740 0.844 0.000 0.190 307 N C 1.820 177.285 175.510 -0.075 0.000 1.024 307 N CA 1.446 54.434 53.050 -0.103 0.000 0.853 307 N CB -0.269 38.178 38.487 -0.068 0.000 1.008 307 N HN 0.512 nan 8.380 nan 0.000 0.424 308 K N 0.521 120.888 120.400 -0.056 0.000 2.103 308 K HA 0.106 4.933 4.320 0.844 0.000 0.204 308 K C 2.075 178.687 176.600 0.020 0.000 1.052 308 K CA 0.982 57.270 56.287 0.001 0.000 0.945 308 K CB -0.042 32.472 32.500 0.024 0.000 0.722 308 K HN 0.108 nan 8.250 nan 0.000 0.443 309 A N 1.445 124.255 122.820 -0.017 0.000 1.873 309 A HA -0.102 4.724 4.320 0.844 0.000 0.215 309 A C 2.105 179.631 177.584 -0.096 0.000 1.186 309 A CA 1.159 53.186 52.037 -0.016 0.000 0.616 309 A CB -0.637 18.367 19.000 0.007 0.000 0.823 309 A HN 0.133 nan 8.150 nan 0.000 0.442 310 L N -0.639 120.455 121.223 -0.215 0.000 2.083 310 L HA -0.118 4.728 4.340 0.844 0.000 0.209 310 L C 2.811 179.621 176.870 -0.100 0.000 1.083 310 L CA 1.019 55.633 54.840 -0.376 0.000 0.752 310 L CB -0.878 40.794 42.059 -0.645 0.000 0.899 310 L HN 0.502 nan 8.230 nan 0.000 0.433 311 G N -0.123 108.655 108.800 -0.037 0.000 2.418 311 G HA2 -0.335 4.131 3.960 0.844 0.000 0.217 311 G HA3 -0.335 4.131 3.960 0.844 0.000 0.217 311 G C 1.488 176.407 174.900 0.033 0.000 1.158 311 G CA 0.626 45.741 45.100 0.025 0.000 0.771 311 G HN 0.315 nan 8.290 nan 0.000 0.545 312 F N 1.234 121.141 119.950 -0.070 0.000 2.102 312 F HA 0.050 5.125 4.527 0.914 0.000 0.298 312 F C 2.429 178.168 175.800 -0.101 0.000 1.105 312 F CA 1.146 59.098 58.000 -0.081 0.000 1.239 312 F CB -0.212 38.708 39.000 -0.135 0.000 0.991 312 F HN 0.045 nan 8.300 nan 0.000 0.474 313 L N -0.578 120.505 121.223 -0.233 0.000 2.083 313 L HA -0.229 4.618 4.340 0.844 0.000 0.209 313 L C 2.519 179.252 176.870 -0.228 0.000 1.083 313 L CA 1.428 56.028 54.840 -0.401 0.000 0.752 313 L CB -0.970 40.734 42.059 -0.590 0.000 0.899 313 L HN 0.095 nan 8.230 nan 0.000 0.433 314 S N -1.060 114.618 115.700 -0.036 0.000 2.368 314 S HA -0.228 4.748 4.470 0.844 0.000 0.224 314 S C 1.862 176.416 174.600 -0.076 0.000 1.029 314 S CA 1.229 59.427 58.200 -0.004 0.000 0.988 314 S CB -0.405 62.837 63.200 0.069 0.000 0.838 314 S HN 0.460 nan 8.310 nan 0.000 0.462 315 Y N 2.437 122.580 120.300 -0.263 0.000 2.181 315 Y HA -0.104 4.951 4.550 0.842 0.000 0.288 315 Y C 2.342 178.018 175.900 -0.374 0.000 1.146 315 Y CA 1.046 58.966 58.100 -0.301 0.000 1.164 315 Y CB -0.716 37.538 38.460 -0.343 0.000 0.982 315 Y HN 0.199 nan 8.280 nan 0.000 0.515 316 A N 0.669 123.128 122.820 -0.602 0.000 1.933 316 A HA -0.218 4.608 4.320 0.844 0.000 0.218 316 A C 2.303 179.721 177.584 -0.276 0.000 1.175 316 A CA 1.872 53.563 52.037 -0.577 0.000 0.628 316 A CB -0.798 17.768 19.000 -0.725 0.000 0.814 316 A HN 0.569 nan 8.150 nan 0.000 0.444 317 K N -0.144 120.164 120.400 -0.153 0.000 2.097 317 K HA -0.163 4.663 4.320 0.844 0.000 0.206 317 K C 2.063 178.575 176.600 -0.148 0.000 1.049 317 K CA 2.004 58.252 56.287 -0.064 0.000 0.933 317 K CB -0.373 32.137 32.500 0.017 0.000 0.717 317 K HN 0.606 nan 8.250 nan 0.000 0.442 318 T N -1.293 113.126 114.554 -0.225 0.000 2.962 318 T HA -0.036 4.821 4.350 0.844 0.000 0.270 318 T C 1.211 175.754 174.700 -0.262 0.000 1.088 318 T CA 0.896 62.862 62.100 -0.224 0.000 1.127 318 T CB -0.128 68.606 68.868 -0.224 0.000 0.883 318 T HN 0.111 nan 8.240 nan 0.000 0.493 319 N N 2.134 120.618 118.700 -0.359 0.000 2.321 319 N HA 0.190 5.436 4.740 0.844 0.000 0.242 319 N C -0.722 174.687 175.510 -0.169 0.000 1.141 319 N CA -0.064 52.803 53.050 -0.304 0.000 0.864 319 N CB 0.147 38.357 38.487 -0.463 0.000 1.100 319 N HN 0.453 nan 8.380 nan 0.000 0.510 320 N N 0.226 118.850 118.700 -0.126 0.000 2.314 320 N HA 0.062 5.308 4.740 0.844 0.000 0.294 320 N C 0.974 176.444 175.510 -0.067 0.000 1.029 320 N CA -0.069 52.939 53.050 -0.070 0.000 0.845 320 N CB 1.526 39.989 38.487 -0.040 0.000 1.321 320 N HN -0.020 nan 8.380 nan 0.000 0.481 321 S N 2.965 118.633 115.700 -0.054 0.000 2.442 321 S HA -0.063 4.913 4.470 0.844 0.000 0.236 321 S C 0.982 175.553 174.600 -0.048 0.000 1.007 321 S CA 0.949 59.120 58.200 -0.048 0.000 0.965 321 S CB -0.035 63.142 63.200 -0.038 0.000 0.773 321 S HN 0.607 nan 8.310 nan 0.000 0.504 322 K N 0.961 121.331 120.400 -0.050 0.000 2.404 322 K HA 0.215 5.042 4.320 0.844 0.000 0.194 322 K C 0.277 176.838 176.600 -0.065 0.000 1.023 322 K CA 0.193 56.448 56.287 -0.054 0.000 1.094 322 K CB -0.161 32.306 32.500 -0.055 0.000 0.841 322 K HN 0.350 nan 8.250 nan 0.000 0.523 323 N N 0.957 119.616 118.700 -0.068 0.000 2.740 323 N HA -0.172 5.075 4.740 0.844 0.000 0.248 323 N C -1.233 174.221 175.510 -0.093 0.000 1.062 323 N CA 0.824 53.828 53.050 -0.077 0.000 0.704 323 N CB -1.652 36.792 38.487 -0.072 0.000 0.968 323 N HN 0.484 nan 8.380 nan 0.000 0.547 324 c N -0.828 117.717 118.600 -0.091 0.000 2.994 324 c HA 0.824 5.901 4.570 0.844 0.000 0.305 324 c C 0.206 174.266 174.090 -0.050 0.000 1.251 324 c CA -1.524 54.719 56.329 -0.143 0.000 1.478 324 c CB 0.506 42.904 42.510 -0.186 0.000 1.922 324 c HN 0.353 nan 8.230 nan 0.000 0.472 325 Y N 0.265 120.566 120.300 0.002 0.000 2.307 325 Y HA 0.751 5.273 4.550 -0.045 0.000 0.324 325 Y C 0.211 176.201 175.900 0.150 0.000 1.238 325 Y CA -0.546 57.621 58.100 0.112 0.000 1.280 325 Y CB 0.404 38.922 38.460 0.096 0.000 1.248 325 Y HN 0.768 nan 8.280 nan 0.000 0.508 326 E N 1.204 121.657 120.200 0.421 0.000 2.267 326 E HA 0.147 5.004 4.350 0.844 0.000 0.258 326 E C 0.272 177.044 176.600 0.286 0.000 1.074 326 E CA -0.765 55.723 56.400 0.146 0.000 0.915 326 E CB 1.004 30.622 29.700 -0.137 0.000 1.186 326 E HN 0.799 nan 8.360 nan 0.000 0.439 327 Q N -0.357 119.523 119.800 0.133 0.000 2.331 327 Q HA 0.046 4.892 4.340 0.844 0.000 0.203 327 Q C -0.147 175.999 176.000 0.244 0.000 0.944 327 Q CA 0.606 56.576 55.803 0.278 0.000 0.892 327 Q CB 0.570 29.485 28.738 0.296 0.000 0.983 327 Q HN 0.142 nan 8.270 nan 0.000 0.482 328 V N 0.723 120.604 119.914 -0.054 0.000 2.525 328 V HA 0.333 4.959 4.120 0.844 0.000 0.299 328 V C -1.355 174.482 176.094 -0.429 0.000 1.034 328 V CA -0.818 61.343 62.300 -0.232 0.000 0.863 328 V CB 1.085 32.598 31.823 -0.516 0.000 0.999 328 V HN 0.052 nan 8.190 nan 0.000 0.423 329 Y N 1.725 122.037 120.300 0.019 0.000 2.524 329 Y HA 0.738 5.765 4.550 0.797 0.000 0.344 329 Y C 0.355 176.159 175.900 -0.161 0.000 1.012 329 Y CA -0.594 57.490 58.100 -0.026 0.000 1.068 329 Y CB 2.471 40.993 38.460 0.103 0.000 1.249 329 Y HN 0.554 nan 8.280 nan 0.000 0.468 330 S N 1.582 117.276 115.700 -0.009 0.000 2.677 330 S HA 0.420 5.397 4.470 0.844 0.000 0.283 330 S C -1.525 173.176 174.600 0.168 0.000 1.159 330 S CA -0.557 57.637 58.200 -0.010 0.000 1.001 330 S CB 0.057 63.221 63.200 -0.060 0.000 1.032 330 S HN 0.619 nan 8.310 nan 0.000 0.487 331 Y N 2.159 122.573 120.300 0.191 0.000 3.491 331 Y HA -0.266 4.789 4.550 0.842 0.000 0.215 331 Y C 1.513 177.566 175.900 0.255 0.000 1.219 331 Y CA 1.415 59.602 58.100 0.144 0.000 1.485 331 Y CB -1.831 36.686 38.460 0.094 0.000 1.450 331 Y HN 1.466 nan 8.280 nan 0.000 0.603 332 G N -1.799 107.180 108.800 0.298 0.000 2.184 332 G HA2 -0.119 4.347 3.960 0.844 0.000 0.264 332 G HA3 -0.119 4.347 3.960 0.844 0.000 0.264 332 G C 0.542 175.718 174.900 0.461 0.000 0.975 332 G CA 0.258 45.501 45.100 0.237 0.000 0.642 332 G HN 1.419 nan 8.290 nan 0.000 0.536 333 G N -0.248 108.799 108.800 0.411 0.000 2.372 333 G HA2 0.787 5.253 3.960 0.844 0.000 0.323 333 G HA3 0.787 5.253 3.960 0.844 0.000 0.323 333 G C 0.226 175.266 174.900 0.232 0.000 1.152 333 G CA 0.507 45.804 45.100 0.330 0.000 0.906 333 G HN 1.462 nan 8.290 nan 0.000 0.460 334 A N 2.163 125.055 122.820 0.121 0.000 2.477 334 A HA 0.386 5.212 4.320 0.844 0.000 0.246 334 A C 0.942 178.372 177.584 -0.257 0.000 1.078 334 A CA -0.125 51.719 52.037 -0.323 0.000 0.770 334 A CB 0.471 19.361 19.000 -0.184 0.000 1.011 334 A HN 0.582 nan 8.150 nan 0.000 0.494 335 Q N 1.186 120.743 119.800 -0.404 0.000 2.280 335 Q HA 0.026 4.873 4.340 0.844 0.000 0.201 335 Q C 0.074 175.948 176.000 -0.210 0.000 0.890 335 Q CA -0.023 55.584 55.803 -0.328 0.000 0.947 335 Q CB -0.055 28.309 28.738 -0.624 0.000 1.081 335 Q HN 0.907 nan 8.270 nan 0.000 0.502 336 N N 1.423 120.012 118.700 -0.185 0.000 2.735 336 N HA -0.168 5.078 4.740 0.844 0.000 0.248 336 N C -0.474 174.990 175.510 -0.076 0.000 1.083 336 N CA 0.369 53.357 53.050 -0.104 0.000 0.703 336 N CB -0.365 38.091 38.487 -0.052 0.000 1.005 336 N HN 0.143 nan 8.380 nan 0.000 0.550 337 R N 0.168 120.604 120.500 -0.107 0.000 2.552 337 R HA 0.455 5.301 4.340 0.844 0.000 0.314 337 R C 1.009 177.300 176.300 -0.014 0.000 1.041 337 R CA 0.446 56.524 56.100 -0.037 0.000 1.076 337 R CB -0.160 30.124 30.300 -0.027 0.000 1.290 337 R HN 0.467 nan 8.270 nan 0.000 0.563 338 G N 0.527 109.302 108.800 -0.043 0.000 2.697 338 G HA2 -0.205 4.261 3.960 0.844 0.000 0.686 338 G HA3 -0.205 4.261 3.960 0.844 0.000 0.686 338 G C -0.159 174.714 174.900 -0.046 0.000 1.179 338 G CA -1.011 44.066 45.100 -0.040 0.000 0.765 338 G HN 0.205 nan 8.290 nan 0.000 0.649 339 c N 1.406 119.967 118.600 -0.067 0.000 2.679 339 c HA 0.550 5.627 4.570 0.844 0.000 0.417 339 c C 1.875 175.894 174.090 -0.118 0.000 1.302 339 c CA 0.657 56.924 56.329 -0.104 0.000 1.973 339 c CB -0.154 42.282 42.510 -0.123 0.000 2.715 339 c HN 2.040 nan 8.230 nan 0.000 0.628 340 A N 3.109 125.801 122.820 -0.214 0.000 2.587 340 A HA 0.457 5.283 4.320 0.844 0.000 0.235 340 A C 0.859 178.328 177.584 -0.191 0.000 1.044 340 A CA 0.771 52.654 52.037 -0.257 0.000 0.754 340 A CB -0.201 18.493 19.000 -0.511 0.000 0.968 340 A HN 1.180 nan 8.150 nan 0.000 0.509 341 G N 0.898 109.620 108.800 -0.130 0.000 2.702 341 G HA2 0.468 4.935 3.960 0.844 0.000 0.254 341 G HA3 0.468 4.935 3.960 0.844 0.000 0.254 341 G C 0.332 175.224 174.900 -0.013 0.000 1.380 341 G CA -0.022 45.054 45.100 -0.041 0.000 1.042 341 G HN 0.642 nan 8.290 nan 0.000 0.557 342 E N -0.363 119.883 120.200 0.076 0.000 2.106 342 E HA 0.022 4.878 4.350 0.844 0.000 0.192 342 E C 2.483 179.222 176.600 0.232 0.000 0.984 342 E CA 1.205 57.699 56.400 0.156 0.000 0.806 342 E CB -0.330 29.453 29.700 0.139 0.000 0.750 342 E HN 0.453 nan 8.360 nan 0.000 0.458 343 G N 0.642 109.578 108.800 0.226 0.000 2.418 343 G HA2 -0.349 4.117 3.960 0.844 0.000 0.217 343 G HA3 -0.349 4.117 3.960 0.844 0.000 0.217 343 G C 1.533 176.500 174.900 0.111 0.000 1.158 343 G CA 0.769 46.037 45.100 0.280 0.000 0.771 343 G HN 0.233 nan 8.290 nan 0.000 0.545 344 Q N 0.066 119.690 119.800 -0.294 0.000 2.079 344 Q HA -0.055 4.792 4.340 0.844 0.000 0.200 344 Q C 2.486 178.433 176.000 -0.087 0.000 0.974 344 Q CA 1.229 56.692 55.803 -0.566 0.000 0.840 344 Q CB -0.087 27.887 28.738 -1.274 0.000 0.898 344 Q HN 0.429 nan 8.270 nan 0.000 0.430 345 K N -0.127 120.296 120.400 0.039 0.000 2.097 345 K HA -0.116 4.711 4.320 0.844 0.000 0.206 345 K C 2.038 178.739 176.600 0.169 0.000 1.049 345 K CA 1.068 57.477 56.287 0.205 0.000 0.933 345 K CB -0.128 32.500 32.500 0.214 0.000 0.717 345 K HN 0.212 nan 8.250 nan 0.000 0.442 346 A N 1.571 124.485 122.820 0.158 0.000 1.902 346 A HA -0.116 4.710 4.320 0.844 0.000 0.217 346 A C 2.392 179.850 177.584 -0.209 0.000 1.181 346 A CA 1.815 53.770 52.037 -0.136 0.000 0.623 346 A CB -0.723 18.348 19.000 0.119 0.000 0.818 346 A HN 0.324 nan 8.150 nan 0.000 0.443 347 A N 0.371 123.164 122.820 -0.044 0.000 1.908 347 A HA -0.211 4.615 4.320 0.844 0.000 0.218 347 A C 1.879 179.421 177.584 -0.071 0.000 1.181 347 A CA 1.867 53.884 52.037 -0.033 0.000 0.627 347 A CB -0.637 18.419 19.000 0.094 0.000 0.818 347 A HN 0.549 nan 8.150 nan 0.000 0.445 348 N N 0.339 119.018 118.700 -0.035 0.000 2.309 348 N HA -0.036 5.211 4.740 0.844 0.000 0.182 348 N C 1.778 177.225 175.510 -0.105 0.000 1.018 348 N CA 1.331 54.333 53.050 -0.081 0.000 0.876 348 N CB -0.524 37.965 38.487 0.004 0.000 0.972 348 N HN 0.487 nan 8.380 nan 0.000 0.434 349 A N 0.617 123.376 122.820 -0.102 0.000 1.898 349 A HA -0.049 4.777 4.320 0.844 0.000 0.216 349 A C 2.394 179.909 177.584 -0.115 0.000 1.181 349 A CA 1.093 53.066 52.037 -0.105 0.000 0.620 349 A CB -0.628 18.136 19.000 -0.393 0.000 0.819 349 A HN 0.096 nan 8.150 nan 0.000 0.442 350 V N -0.035 119.756 119.914 -0.206 0.000 2.515 350 V HA -0.214 4.412 4.120 0.844 0.000 0.250 350 V C 2.974 178.954 176.094 -0.190 0.000 1.058 350 V CA 1.614 63.790 62.300 -0.206 0.000 1.064 350 V CB -1.222 30.412 31.823 -0.316 0.000 0.675 350 V HN 0.595 nan 8.190 nan 0.000 0.461 351 A N 0.070 122.787 122.820 -0.173 0.000 2.024 351 A HA -0.174 4.652 4.320 0.844 0.000 0.220 351 A C 2.151 179.646 177.584 -0.149 0.000 1.164 351 A CA 1.593 53.529 52.037 -0.168 0.000 0.643 351 A CB -0.599 18.294 19.000 -0.178 0.000 0.806 351 A HN 0.552 nan 8.150 nan 0.000 0.451 352 L N -0.743 120.413 121.223 -0.112 0.000 2.261 352 L HA -0.170 4.677 4.340 0.844 0.000 0.216 352 L C 2.078 178.976 176.870 0.048 0.000 1.114 352 L CA 0.619 55.436 54.840 -0.038 0.000 0.777 352 L CB -0.548 41.495 42.059 -0.026 0.000 0.910 352 L HN 0.388 nan 8.230 nan 0.000 0.440 353 L N -0.324 120.862 121.223 -0.061 0.000 2.450 353 L HA -0.154 4.692 4.340 0.844 0.000 0.224 353 L C 2.202 178.980 176.870 -0.153 0.000 1.149 353 L CA 0.792 55.553 54.840 -0.132 0.000 0.816 353 L CB -0.435 41.495 42.059 -0.215 0.000 0.932 353 L HN 0.265 nan 8.230 nan 0.000 0.449 354 A N -1.900 120.836 122.820 -0.139 0.000 2.431 354 A HA 0.152 4.978 4.320 0.844 0.000 0.239 354 A C 1.012 178.532 177.584 -0.108 0.000 1.230 354 A CA -0.095 51.836 52.037 -0.177 0.000 0.928 354 A CB 0.212 19.078 19.000 -0.223 0.000 1.006 354 A HN 0.191 nan 8.150 nan 0.000 0.520 355 S N 0.263 115.959 115.700 -0.007 0.000 2.584 355 S HA 0.351 5.327 4.470 0.844 0.000 0.273 355 S C 1.121 175.806 174.600 0.142 0.000 1.311 355 S CA 0.559 58.789 58.200 0.049 0.000 1.034 355 S CB 0.728 63.959 63.200 0.052 0.000 0.939 355 S HN 0.625 nan 8.310 nan 0.000 0.513 356 T N 0.696 115.303 114.554 0.088 0.000 3.132 356 T HA 0.298 5.154 4.350 0.844 0.000 0.274 356 T C -0.023 174.763 174.700 0.144 0.000 1.011 356 T CA -0.568 61.588 62.100 0.094 0.000 0.899 356 T CB -0.351 68.517 68.868 0.001 0.000 1.089 356 T HN 0.455 nan 8.240 nan 0.000 0.543 357 N N 1.104 119.900 118.700 0.160 0.000 2.564 357 N HA 0.536 5.782 4.740 0.844 0.000 0.248 357 N C 1.093 176.629 175.510 0.044 0.000 0.986 357 N CA -0.052 53.049 53.050 0.084 0.000 0.921 357 N CB 1.608 40.108 38.487 0.021 0.000 1.136 357 N HN 0.215 nan 8.380 nan 0.000 0.509 358 A N 2.939 125.831 122.820 0.119 0.000 1.972 358 A HA -0.037 4.789 4.320 0.844 0.000 0.219 358 A C 1.880 179.416 177.584 -0.080 0.000 1.169 358 A CA 1.904 53.972 52.037 0.052 0.000 0.635 358 A CB -0.740 18.365 19.000 0.174 0.000 0.810 358 A HN 0.661 nan 8.150 nan 0.000 0.446 359 G N -1.077 107.708 108.800 -0.025 0.000 2.418 359 G HA2 -0.226 4.241 3.960 0.844 0.000 0.217 359 G HA3 -0.226 4.241 3.960 0.844 0.000 0.217 359 G C 1.614 176.504 174.900 -0.016 0.000 1.158 359 G CA 0.978 46.066 45.100 -0.020 0.000 0.771 359 G HN 0.609 nan 8.290 nan 0.000 0.545 360 Q N -0.022 119.777 119.800 -0.002 0.000 2.084 360 Q HA -0.001 4.845 4.340 0.844 0.000 0.202 360 Q C 3.030 179.068 176.000 0.063 0.000 0.978 360 Q CA 1.244 57.109 55.803 0.102 0.000 0.844 360 Q CB -0.238 28.530 28.738 0.049 0.000 0.898 360 Q HN 0.476 nan 8.270 nan 0.000 0.426 361 A N 1.189 123.867 122.820 -0.236 0.000 1.877 361 A HA -0.297 4.529 4.320 0.844 0.000 0.216 361 A C 1.995 179.484 177.584 -0.158 0.000 1.186 361 A CA 2.023 53.795 52.037 -0.442 0.000 0.620 361 A CB -1.713 16.422 19.000 -1.442 0.000 0.822 361 A HN 0.589 nan 8.150 nan 0.000 0.443 362 N N -0.626 117.994 118.700 -0.134 0.000 2.069 362 N HA -0.132 5.114 4.740 0.844 0.000 0.191 362 N C 2.030 177.566 175.510 0.044 0.000 1.031 362 N CA 3.359 56.399 53.050 -0.017 0.000 0.852 362 N CB -1.138 37.336 38.487 -0.022 0.000 1.018 362 N HN 0.843 nan 8.380 nan 0.000 0.423 363 E N -0.199 120.008 120.200 0.012 0.000 2.017 363 E HA -0.049 4.808 4.350 0.844 0.000 0.193 363 E C 1.852 178.412 176.600 -0.067 0.000 0.997 363 E CA 1.402 57.764 56.400 -0.065 0.000 0.804 363 E CB -1.011 28.590 29.700 -0.164 0.000 0.757 363 E HN 0.768 nan 8.360 nan 0.000 0.448 364 F N -0.857 119.114 119.950 0.036 0.000 2.186 364 F HA 0.092 5.100 4.527 0.801 0.000 0.299 364 F C 2.210 178.078 175.800 0.114 0.000 1.090 364 F CA 1.357 59.398 58.000 0.068 0.000 1.307 364 F CB -0.273 38.739 39.000 0.019 0.000 1.019 364 F HN 0.292 nan 8.300 nan 0.000 0.489 365 F N 1.167 121.221 119.950 0.173 0.000 2.163 365 F HA -0.168 4.866 4.527 0.844 0.000 0.297 365 F C 2.198 178.149 175.800 0.251 0.000 1.094 365 F CA 1.406 59.518 58.000 0.187 0.000 1.290 365 F CB -0.493 38.536 39.000 0.049 0.000 1.017 365 F HN -0.159 nan 8.300 nan 0.000 0.483 366 N N 0.826 119.667 118.700 0.235 0.000 2.166 366 N HA -0.156 5.091 4.740 0.844 0.000 0.186 366 N C 2.040 177.602 175.510 0.086 0.000 1.019 366 N CA 1.641 54.793 53.050 0.170 0.000 0.856 366 N CB -0.892 37.679 38.487 0.140 0.000 0.993 366 N HN 0.583 nan 8.380 nan 0.000 0.426 367 E N 0.854 121.088 120.200 0.057 0.000 2.110 367 E HA -0.158 4.698 4.350 0.844 0.000 0.193 367 E C 1.710 178.351 176.600 0.069 0.000 0.988 367 E CA 1.009 57.427 56.400 0.030 0.000 0.804 367 E CB -1.012 28.680 29.700 -0.013 0.000 0.745 367 E HN 0.438 nan 8.360 nan 0.000 0.458 368 F N -0.891 119.029 119.950 -0.050 0.000 2.163 368 F HA 0.020 5.049 4.527 0.835 0.000 0.297 368 F C 2.303 178.082 175.800 -0.035 0.000 1.094 368 F CA 1.556 59.524 58.000 -0.053 0.000 1.290 368 F CB -0.276 38.642 39.000 -0.137 0.000 1.017 368 F HN 0.390 nan 8.300 nan 0.000 0.483 369 W N 1.278 122.260 121.300 -0.531 0.000 2.519 369 W HA -0.117 5.045 4.660 0.837 0.000 0.266 369 W C 2.283 178.638 176.519 -0.273 0.000 1.253 369 W CA 1.450 58.484 57.345 -0.517 0.000 1.274 369 W CB -0.204 29.082 29.460 -0.290 0.000 1.114 369 W HN 0.299 nan 8.180 nan 0.000 0.596 370 S N 0.235 115.887 115.700 -0.079 0.000 2.522 370 S HA 0.018 4.994 4.470 0.844 0.000 0.227 370 S C 0.816 175.324 174.600 -0.154 0.000 0.986 370 S CA 0.069 58.216 58.200 -0.088 0.000 0.929 370 S CB -0.614 62.578 63.200 -0.015 0.000 0.769 370 S HN 0.059 nan 8.310 nan 0.000 0.529 371 L N 2.986 124.086 121.223 -0.206 0.000 2.452 371 L HA 0.312 5.159 4.340 0.844 0.000 0.267 371 L C 0.802 177.541 176.870 -0.218 0.000 1.188 371 L CA -0.595 54.141 54.840 -0.174 0.000 0.821 371 L CB 0.733 42.712 42.059 -0.133 0.000 1.102 371 L HN 0.304 nan 8.230 nan 0.000 0.470 372 S N 1.066 116.645 115.700 -0.202 0.000 2.632 372 S HA 0.202 5.178 4.470 0.844 0.000 0.271 372 S C -0.354 174.006 174.600 -0.399 0.000 1.260 372 S CA -0.879 57.181 58.200 -0.234 0.000 1.010 372 S CB 1.319 64.424 63.200 -0.159 0.000 0.965 372 S HN 0.633 nan 8.310 nan 0.000 0.534 373 Q N 1.110 120.639 119.800 -0.452 0.000 2.315 373 Q HA 0.167 5.013 4.340 0.844 0.000 0.289 373 Q C -2.388 173.351 176.000 -0.435 0.000 1.044 373 Q CA -1.362 54.013 55.803 -0.714 0.000 0.920 373 Q CB -0.038 28.483 28.738 -0.360 0.000 1.214 373 Q HN 0.390 nan 8.270 nan 0.000 0.392 374 P HA -0.029 nan 4.420 nan 0.000 0.266 374 P C -1.132 176.133 177.300 -0.059 0.000 1.195 374 P CA 0.334 63.344 63.100 -0.149 0.000 0.768 374 P CB 0.815 32.487 31.700 -0.047 0.000 0.838 375 T N -0.691 113.859 114.554 -0.006 0.000 2.804 375 T HA 0.773 5.629 4.350 0.844 0.000 0.290 375 T C 0.218 174.957 174.700 0.065 0.000 1.099 375 T CA -0.177 61.937 62.100 0.023 0.000 1.011 375 T CB 1.403 70.273 68.868 0.004 0.000 1.291 375 T HN 0.701 nan 8.240 nan 0.000 0.523 376 G N 0.675 109.510 108.800 0.059 0.000 2.693 376 G HA2 -0.171 4.295 3.960 0.844 0.000 0.226 376 G HA3 -0.171 4.295 3.960 0.844 0.000 0.226 376 G C -0.001 174.928 174.900 0.048 0.000 1.354 376 G CA 0.313 45.448 45.100 0.058 0.000 0.873 376 G HN 0.793 nan 8.290 nan 0.000 0.562 377 D N -0.672 119.709 120.400 -0.032 0.000 2.312 377 D HA 0.037 5.183 4.640 0.844 0.000 0.211 377 D C 1.534 177.676 176.300 -0.263 0.000 0.964 377 D CA 1.326 55.208 54.000 -0.197 0.000 0.877 377 D CB -0.025 40.541 40.800 -0.391 0.000 0.924 377 D HN 0.416 nan 8.370 nan 0.000 0.515 378 Y N 0.207 120.618 120.300 0.185 0.000 2.607 378 Y HA 0.164 5.225 4.550 0.853 0.000 0.266 378 Y C 1.821 177.937 175.900 0.359 0.000 1.178 378 Y CA -0.361 57.910 58.100 0.285 0.000 1.226 378 Y CB 0.006 38.585 38.460 0.198 0.000 1.144 378 Y HN -0.051 nan 8.280 nan 0.000 0.528 379 R N -1.140 119.561 120.500 0.336 0.000 2.280 379 R HA -0.180 4.666 4.340 0.844 0.000 0.207 379 R C 1.582 178.036 176.300 0.257 0.000 1.043 379 R CA 1.042 57.300 56.100 0.263 0.000 1.006 379 R CB -0.905 29.489 30.300 0.155 0.000 0.885 379 R HN 0.415 nan 8.270 nan 0.000 0.467 380 Y N 1.480 121.871 120.300 0.152 0.000 2.097 380 Y HA -0.284 4.773 4.550 0.845 0.000 0.282 380 Y C 1.407 177.304 175.900 -0.006 0.000 1.152 380 Y CA 1.528 59.602 58.100 -0.044 0.000 1.136 380 Y CB -0.502 37.748 38.460 -0.351 0.000 0.975 380 Y HN -0.040 nan 8.280 nan 0.000 0.498 381 Y N 0.353 120.746 120.300 0.155 0.000 2.114 381 Y HA -0.208 4.849 4.550 0.844 0.000 0.284 381 Y C 2.426 178.445 175.900 0.199 0.000 1.143 381 Y CA 2.136 60.325 58.100 0.150 0.000 1.135 381 Y CB -1.044 37.624 38.460 0.346 0.000 0.980 381 Y HN 0.200 nan 8.280 nan 0.000 0.499 382 N N -0.695 118.269 118.700 0.440 0.000 2.171 382 N HA -0.097 5.150 4.740 0.844 0.000 0.184 382 N C 2.118 177.783 175.510 0.258 0.000 1.021 382 N CA 0.969 54.232 53.050 0.355 0.000 0.854 382 N CB -0.485 38.191 38.487 0.315 0.000 0.994 382 N HN 0.386 nan 8.380 nan 0.000 0.426 383 G N -0.255 108.656 108.800 0.185 0.000 2.421 383 G HA2 -0.135 4.332 3.960 0.844 0.000 0.217 383 G HA3 -0.135 4.332 3.960 0.844 0.000 0.217 383 G C 1.560 176.562 174.900 0.169 0.000 1.143 383 G CA 0.408 45.605 45.100 0.161 0.000 0.784 383 G HN 0.167 nan 8.290 nan 0.000 0.541 384 S N 0.452 116.190 115.700 0.064 0.000 2.355 384 S HA 0.008 4.984 4.470 0.844 0.000 0.222 384 S C 2.286 176.901 174.600 0.026 0.000 1.031 384 S CA 0.688 58.920 58.200 0.054 0.000 0.993 384 S CB -0.228 62.972 63.200 0.001 0.000 0.859 384 S HN 0.297 nan 8.310 nan 0.000 0.453 385 L N -0.290 120.937 121.223 0.005 0.000 2.093 385 L HA -0.109 4.737 4.340 0.844 0.000 0.208 385 L C 2.305 179.262 176.870 0.144 0.000 1.085 385 L CA 1.399 56.237 54.840 -0.004 0.000 0.755 385 L CB -0.566 41.535 42.059 0.070 0.000 0.904 385 L HN 0.333 nan 8.230 nan 0.000 0.435 386 Y N 0.377 120.765 120.300 0.146 0.000 2.165 386 Y HA -0.377 4.677 4.550 0.839 0.000 0.286 386 Y C 2.684 178.732 175.900 0.248 0.000 1.155 386 Y CA 2.093 60.342 58.100 0.249 0.000 1.164 386 Y CB -0.053 38.526 38.460 0.200 0.000 0.978 386 Y HN 0.118 nan 8.280 nan 0.000 0.513 387 M N -0.016 119.772 119.600 0.314 0.000 2.067 387 M HA -0.190 4.797 4.480 0.844 0.000 0.260 387 M C 1.925 178.353 176.300 0.213 0.000 1.069 387 M CA 1.869 57.332 55.300 0.273 0.000 1.117 387 M CB -0.706 32.083 32.600 0.315 0.000 1.334 387 M HN 0.341 nan 8.290 nan 0.000 0.407 388 L N -0.314 121.014 121.223 0.175 0.000 2.042 388 L HA -0.183 4.664 4.340 0.844 0.000 0.210 388 L C 2.581 179.568 176.870 0.195 0.000 1.076 388 L CA 1.272 56.225 54.840 0.188 0.000 0.749 388 L CB -1.224 40.890 42.059 0.092 0.000 0.893 388 L HN 0.474 nan 8.230 nan 0.000 0.432 389 A N -0.600 122.283 122.820 0.104 0.000 1.933 389 A HA -0.209 4.617 4.320 0.844 0.000 0.218 389 A C 2.320 179.964 177.584 0.101 0.000 1.175 389 A CA 1.417 53.461 52.037 0.013 0.000 0.628 389 A CB -0.378 18.429 19.000 -0.322 0.000 0.814 389 A HN 0.260 nan 8.150 nan 0.000 0.444 390 M N -0.336 119.349 119.600 0.141 0.000 2.149 390 M HA -0.125 4.862 4.480 0.844 0.000 0.261 390 M C 2.117 178.566 176.300 0.248 0.000 1.064 390 M CA 1.363 56.800 55.300 0.228 0.000 1.102 390 M CB -1.357 31.308 32.600 0.108 0.000 1.369 390 M HN 0.431 nan 8.290 nan 0.000 0.408 391 L N -1.647 119.703 121.223 0.211 0.000 2.027 391 L HA -0.237 4.609 4.340 0.844 0.000 0.206 391 L C 2.605 179.603 176.870 0.213 0.000 1.074 391 L CA 1.071 56.032 54.840 0.201 0.000 0.745 391 L CB -1.060 41.129 42.059 0.217 0.000 0.898 391 L HN 0.342 nan 8.230 nan 0.000 0.433 392 H N -0.321 118.887 119.070 0.231 0.000 2.421 392 H HA -0.090 4.974 4.556 0.845 0.000 0.298 392 H C 2.101 177.512 175.328 0.138 0.000 1.087 392 H CA 2.004 58.145 56.048 0.156 0.000 1.330 392 H CB 0.030 29.773 29.762 -0.032 0.000 1.388 392 H HN 0.350 nan 8.280 nan 0.000 0.526 393 V N -0.334 119.748 119.914 0.281 0.000 3.649 393 V HA 0.105 4.732 4.120 0.844 0.000 0.275 393 V C 1.441 177.673 176.094 0.230 0.000 1.281 393 V CA 0.965 63.418 62.300 0.255 0.000 1.143 393 V CB -0.022 32.057 31.823 0.427 0.000 0.892 393 V HN 0.312 nan 8.190 nan 0.000 0.441 394 S N -0.876 114.966 115.700 0.238 0.000 2.650 394 S HA 0.503 5.479 4.470 0.844 0.000 0.240 394 S C 1.524 176.218 174.600 0.157 0.000 1.007 394 S CA 0.498 58.817 58.200 0.199 0.000 0.984 394 S CB 0.351 63.697 63.200 0.244 0.000 0.910 394 S HN 1.742 nan 8.310 nan 0.000 0.509 395 G N 1.769 110.681 108.800 0.187 0.000 2.153 395 G HA2 -0.315 4.151 3.960 0.844 0.000 0.252 395 G HA3 -0.315 4.151 3.960 0.844 0.000 0.252 395 G C 0.351 175.303 174.900 0.086 0.000 0.994 395 G CA 0.453 45.672 45.100 0.199 0.000 0.698 395 G HN 0.621 nan 8.290 nan 0.000 0.521 396 N N -1.127 117.635 118.700 0.104 0.000 2.254 396 N HA 0.282 5.528 4.740 0.844 0.000 0.190 396 N C 0.196 175.716 175.510 0.017 0.000 1.107 396 N CA -0.276 52.792 53.050 0.031 0.000 0.869 396 N CB 0.281 38.805 38.487 0.062 0.000 0.983 396 N HN 0.341 nan 8.380 nan 0.000 0.487 397 F N 2.533 122.448 119.950 -0.059 0.000 2.377 397 F HA 0.349 5.384 4.527 0.848 0.000 0.360 397 F C -0.212 175.544 175.800 -0.073 0.000 1.147 397 F CA -0.524 57.440 58.000 -0.059 0.000 1.170 397 F CB 0.003 38.856 39.000 -0.244 0.000 1.339 397 F HN -0.297 nan 8.300 nan 0.000 0.552 398 K N 4.553 124.836 120.400 -0.195 0.000 2.340 398 K HA 0.474 5.300 4.320 0.844 0.000 0.244 398 K C -1.414 175.134 176.600 -0.088 0.000 0.973 398 K CA -0.979 55.057 56.287 -0.418 0.000 0.828 398 K CB 2.004 33.919 32.500 -0.976 0.000 1.226 398 K HN 0.150 nan 8.250 nan 0.000 0.437 399 F N 1.797 121.567 119.950 -0.300 0.000 2.405 399 F HA 0.290 5.323 4.527 0.843 0.000 0.355 399 F C -0.349 175.256 175.800 -0.325 0.000 1.121 399 F CA -1.099 56.657 58.000 -0.407 0.000 1.112 399 F CB 0.361 39.054 39.000 -0.511 0.000 1.126 399 F HN 0.334 nan 8.300 nan 0.000 0.481 400 Y N 2.713 123.011 120.300 -0.003 0.000 2.417 400 Y HA 0.284 5.340 4.550 0.843 0.000 0.336 400 Y C 0.574 176.584 175.900 0.182 0.000 0.961 400 Y CA -0.758 57.358 58.100 0.027 0.000 1.215 400 Y CB 0.432 38.777 38.460 -0.192 0.000 1.120 400 Y HN 0.409 nan 8.280 nan 0.000 0.499 401 N N 2.435 121.340 118.700 0.341 0.000 2.525 401 N HA 0.084 5.330 4.740 0.844 0.000 0.271 401 N C -0.444 175.101 175.510 0.059 0.000 1.194 401 N CA -0.272 52.932 53.050 0.258 0.000 0.964 401 N CB 0.532 39.178 38.487 0.266 0.000 1.126 401 N HN 0.657 nan 8.380 nan 0.000 0.452 402 N N -0.823 117.842 118.700 -0.058 0.000 2.467 402 N HA 0.198 5.445 4.740 0.844 0.000 0.262 402 N C -0.254 174.936 175.510 -0.533 0.000 1.234 402 N CA -0.012 52.830 53.050 -0.346 0.000 0.952 402 N CB 0.642 38.836 38.487 -0.489 0.000 1.158 402 N HN 0.450 nan 8.380 nan 0.000 0.463 403 T N -1.179 112.996 114.554 -0.632 0.000 2.823 403 T HA 0.624 5.480 4.350 0.844 0.000 0.279 403 T C -0.620 173.645 174.700 -0.724 0.000 0.998 403 T CA -0.650 61.161 62.100 -0.480 0.000 0.994 403 T CB 0.319 69.045 68.868 -0.236 0.000 0.960 403 T HN 0.188 nan 8.240 nan 0.000 0.448 404 F N 0.000 119.916 119.950 -0.056 0.000 2.286 404 F HA 0.000 5.033 4.527 0.844 0.000 0.279 404 F CA 0.000 57.962 58.000 -0.064 0.000 1.383 404 F CB 0.000 38.971 39.000 -0.049 0.000 1.145 404 F HN 0.000 nan 8.300 nan 0.000 0.574