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 1si8_1_B DATA FIRST_RESID 4 DATA SEQUENCE QHLTTSQGSP VGDNQNSLTA GEFGPVLIQD VHLLEKLAHF NRERVPERVV DATA SEQUENCE HAKGAGAHGI FKVSQSMAQY TKADFLSEVG KETPLFARFS TVAGELGSSD DATA SEQUENCE TLRDPRGFAL KFYTDEGNYD LVGNNTPIFF IRDAIKFPDF IHSQKRNPRT DATA SEQUENCE HLKSPEAVWD FWSHSPESLH QVTILMSDRG IPLSFRHMHG FGSHTFKWVN DATA SEQUENCE AAGEVFFVKY HFKTNQGIKN LESQLAEEIA GKNPDFHIED LHNAIENQEF DATA SEQUENCE PSWTLSVQII PYADALTMKE TLFDVTKTVS QKEYPLIEVG TMTLNRNPEN DATA SEQUENCE YFAEVEQVTF SPGNFVPGIE ASPDKLLQGR LFAYGDAHRH RVGANSHQLP DATA SEQUENCE INQAKAPVNN YQKDGNMRFN NGNSEINYEP NSYTETPKED PTAKISSFEV DATA SEQUENCE EGNVGNYSYN QDHFTQANAL YNLLPSEEKE NLINNIAASL GQVKNQEIIA DATA SEQUENCE RQIDLFTRVN PEYGARVAQA IKQQ 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.940 176.000 -0.099 0.000 1.003 4 Q CA 0.000 55.740 55.803 -0.105 0.000 1.022 4 Q CB 0.000 28.635 28.738 -0.171 0.000 1.108 5 H N 1.165 120.220 119.070 -0.025 0.000 2.489 5 H HA 0.301 4.857 4.556 -0.000 0.000 0.322 5 H C -0.504 174.799 175.328 -0.042 0.000 1.091 5 H CA -0.550 55.478 56.048 -0.034 0.000 1.291 5 H CB 1.351 31.092 29.762 -0.035 0.000 1.436 5 H HN 0.054 nan 8.280 nan 0.000 0.480 6 L N 3.770 125.047 121.223 0.091 0.000 2.453 6 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 6 L C 0.496 177.335 176.870 -0.052 0.000 1.182 6 L CA 0.317 55.158 54.840 0.002 0.000 0.858 6 L CB 0.302 42.346 42.059 -0.026 0.000 1.120 6 L HN 0.815 nan 8.230 nan 0.000 0.474 7 T N 0.381 114.900 114.554 -0.059 0.000 2.864 7 T HA 0.732 5.081 4.350 -0.000 0.000 0.289 7 T C 0.166 174.816 174.700 -0.085 0.000 1.082 7 T CA -0.150 61.901 62.100 -0.083 0.000 1.009 7 T CB 1.170 70.018 68.868 -0.034 0.000 1.234 7 T HN 0.789 nan 8.240 nan 0.000 0.526 8 T N -1.103 113.412 114.554 -0.064 0.000 2.814 8 T HA 0.351 4.701 4.350 -0.000 0.000 0.284 8 T C 1.700 176.410 174.700 0.016 0.000 0.998 8 T CA 0.022 62.135 62.100 0.021 0.000 0.935 8 T CB 0.346 69.238 68.868 0.040 0.000 1.167 8 T HN 1.026 nan 8.240 nan 0.000 0.545 9 S N -0.600 115.117 115.700 0.028 0.000 2.507 9 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 9 S C 1.361 175.967 174.600 0.009 0.000 0.988 9 S CA 0.248 58.451 58.200 0.005 0.000 0.944 9 S CB -0.423 62.782 63.200 0.009 0.000 0.762 9 S HN 0.629 nan 8.310 nan 0.000 0.526 10 Q N 0.347 120.154 119.800 0.011 0.000 2.198 10 Q HA 0.306 4.645 4.340 -0.000 0.000 0.209 10 Q C 1.217 177.216 176.000 -0.002 0.000 0.848 10 Q CA 0.504 56.310 55.803 0.006 0.000 0.974 10 Q CB 0.435 29.177 28.738 0.008 0.000 1.115 10 Q HN 0.758 nan 8.270 nan 0.000 0.494 11 G N 1.172 109.968 108.800 -0.006 0.000 2.159 11 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.256 11 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.256 11 G C 0.293 175.180 174.900 -0.022 0.000 0.977 11 G CA 0.627 45.721 45.100 -0.010 0.000 0.652 11 G HN 0.330 nan 8.290 nan 0.000 0.531 12 S N 2.096 117.778 115.700 -0.030 0.000 2.545 12 S HA 0.606 5.076 4.470 -0.000 0.000 0.275 12 S C -1.593 172.959 174.600 -0.080 0.000 1.299 12 S CA -0.882 57.290 58.200 -0.047 0.000 1.048 12 S CB 1.244 64.421 63.200 -0.039 0.000 0.938 12 S HN 0.298 nan 8.310 nan 0.000 0.496 13 P HA 0.086 nan 4.420 nan 0.000 0.269 13 P C -0.870 176.323 177.300 -0.179 0.000 1.209 13 P CA -0.277 62.737 63.100 -0.144 0.000 0.776 13 P CB 0.474 32.059 31.700 -0.192 0.000 0.876 14 V N 3.214 122.995 119.914 -0.221 0.000 2.383 14 V HA 0.279 4.398 4.120 -0.000 0.000 0.275 14 V C 1.745 177.734 176.094 -0.176 0.000 1.036 14 V CA 0.506 62.638 62.300 -0.280 0.000 0.889 14 V CB 0.731 32.273 31.823 -0.468 0.000 0.985 14 V HN 0.821 nan 8.190 nan 0.000 0.459 15 G N 2.899 111.620 108.800 -0.132 0.000 2.396 15 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.214 15 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.214 15 G C 0.290 175.154 174.900 -0.060 0.000 1.166 15 G CA 0.423 45.469 45.100 -0.091 0.000 0.793 15 G HN 0.625 nan 8.290 nan 0.000 0.533 16 D N -0.878 119.497 120.400 -0.041 0.000 2.686 16 D HA 0.192 4.832 4.640 -0.000 0.000 0.249 16 D C -0.628 175.683 176.300 0.018 0.000 1.260 16 D CA -0.643 53.349 54.000 -0.014 0.000 0.910 16 D CB 1.342 42.136 40.800 -0.009 0.000 1.323 16 D HN -0.049 nan 8.370 nan 0.000 0.561 17 N N 2.016 120.728 118.700 0.020 0.000 2.235 17 N HA 0.034 4.774 4.740 -0.000 0.000 0.209 17 N C 0.517 176.047 175.510 0.033 0.000 1.122 17 N CA 0.290 53.375 53.050 0.059 0.000 0.845 17 N CB 0.440 38.958 38.487 0.052 0.000 1.004 17 N HN 0.296 nan 8.380 nan 0.000 0.499 18 Q N -1.114 118.695 119.800 0.014 0.000 2.369 18 Q HA 0.292 4.632 4.340 -0.000 0.000 0.254 18 Q C -0.516 175.480 176.000 -0.006 0.000 0.858 18 Q CA 0.405 56.207 55.803 -0.000 0.000 0.961 18 Q CB 0.486 29.221 28.738 -0.005 0.000 1.119 18 Q HN 0.230 nan 8.270 nan 0.000 0.538 19 N N 0.823 119.521 118.700 -0.004 0.000 2.258 19 N HA 0.332 5.072 4.740 -0.000 0.000 0.299 19 N C -0.892 174.615 175.510 -0.005 0.000 1.047 19 N CA -0.182 52.861 53.050 -0.011 0.000 0.814 19 N CB 2.091 40.564 38.487 -0.023 0.000 1.413 19 N HN -0.142 nan 8.380 nan 0.000 0.478 20 S N 0.974 116.668 115.700 -0.010 0.000 2.592 20 S HA 0.285 4.755 4.470 -0.000 0.000 0.271 20 S C 0.738 175.332 174.600 -0.010 0.000 1.326 20 S CA -0.624 57.573 58.200 -0.006 0.000 1.024 20 S CB 0.707 63.901 63.200 -0.011 0.000 0.921 20 S HN 0.308 nan 8.310 nan 0.000 0.527 21 L N 2.269 123.490 121.223 -0.004 0.000 2.455 21 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 21 L C 0.596 177.459 176.870 -0.012 0.000 1.174 21 L CA 0.345 55.180 54.840 -0.008 0.000 0.869 21 L CB 0.671 42.729 42.059 -0.002 0.000 1.130 21 L HN 0.579 nan 8.230 nan 0.000 0.474 22 T N 2.471 117.013 114.554 -0.020 0.000 2.909 22 T HA 0.527 4.877 4.350 -0.000 0.000 0.299 22 T C -0.373 174.315 174.700 -0.020 0.000 1.073 22 T CA -0.522 61.567 62.100 -0.019 0.000 0.999 22 T CB 1.614 70.463 68.868 -0.032 0.000 1.098 22 T HN 0.594 nan 8.240 nan 0.000 0.477 23 A N 2.499 125.314 122.820 -0.008 0.000 2.915 23 A HA 0.642 4.962 4.320 -0.000 0.000 0.292 23 A C 0.934 178.514 177.584 -0.006 0.000 1.632 23 A CA 0.428 52.462 52.037 -0.005 0.000 1.337 23 A CB -1.388 17.615 19.000 0.004 0.000 1.111 23 A HN 1.658 nan 8.150 nan 0.000 0.569 24 G N 0.800 109.585 108.800 -0.025 0.000 2.692 24 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 24 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 24 G C 0.427 175.274 174.900 -0.090 0.000 1.243 24 G CA 0.097 45.175 45.100 -0.037 0.000 0.782 24 G HN 0.747 nan 8.290 nan 0.000 0.625 25 E N -0.194 119.902 120.200 -0.173 0.000 2.108 25 E HA -0.193 4.157 4.350 -0.000 0.000 0.203 25 E C 1.412 177.691 176.600 -0.536 0.000 1.022 25 E CA 2.091 58.244 56.400 -0.412 0.000 0.823 25 E CB -0.112 29.224 29.700 -0.607 0.000 0.744 25 E HN 0.533 nan 8.360 nan 0.000 0.456 26 F N -0.121 119.827 119.950 -0.002 0.000 2.708 26 F HA 0.338 4.864 4.527 -0.000 0.000 0.300 26 F C 0.852 176.650 175.800 -0.002 0.000 1.118 26 F CA -0.396 57.603 58.000 -0.002 0.000 1.307 26 F CB 1.019 40.017 39.000 -0.002 0.000 0.986 26 F HN -0.017 nan 8.300 nan 0.000 0.522 27 G N 1.089 109.943 108.800 0.089 0.000 2.547 27 G HA2 0.417 4.377 3.960 -0.000 0.000 0.291 27 G HA3 0.417 4.377 3.960 -0.000 0.000 0.291 27 G C -2.422 172.505 174.900 0.045 0.000 1.211 27 G CA -1.334 43.803 45.100 0.063 0.000 0.950 27 G HN -0.131 nan 8.290 nan 0.000 0.504 28 P HA 0.146 nan 4.420 nan 0.000 0.272 28 P C -0.070 177.238 177.300 0.014 0.000 1.230 28 P CA -0.263 62.852 63.100 0.025 0.000 0.788 28 P CB 1.088 32.801 31.700 0.021 0.000 0.949 29 V N 2.815 122.736 119.914 0.011 0.000 2.686 29 V HA 0.058 4.178 4.120 -0.000 0.000 0.295 29 V C 0.890 176.986 176.094 0.003 0.000 1.055 29 V CA -0.169 62.133 62.300 0.004 0.000 1.050 29 V CB 0.209 32.034 31.823 0.002 0.000 0.984 29 V HN 0.318 nan 8.190 nan 0.000 0.482 30 L N 4.950 126.174 121.223 0.001 0.000 2.312 30 L HA 0.415 4.754 4.340 -0.000 0.000 0.281 30 L C 1.297 178.169 176.870 0.003 0.000 1.070 30 L CA -0.270 54.572 54.840 0.002 0.000 0.805 30 L CB 1.175 43.235 42.059 0.001 0.000 1.174 30 L HN 0.608 nan 8.230 nan 0.000 0.434 31 I N 1.910 122.483 120.570 0.004 0.000 2.614 31 I HA -0.259 3.910 4.170 -0.000 0.000 0.258 31 I C 2.182 178.302 176.117 0.006 0.000 1.189 31 I CA 1.039 62.341 61.300 0.004 0.000 1.462 31 I CB 0.142 38.145 38.000 0.005 0.000 1.092 31 I HN 0.842 nan 8.210 nan 0.000 0.442 32 Q N -0.562 119.242 119.800 0.006 0.000 2.482 32 Q HA -0.117 4.223 4.340 -0.000 0.000 0.209 32 Q C 0.428 176.436 176.000 0.013 0.000 0.961 32 Q CA 0.315 56.123 55.803 0.008 0.000 0.945 32 Q CB -0.345 28.396 28.738 0.005 0.000 1.012 32 Q HN 0.267 nan 8.270 nan 0.000 0.515 33 D N 1.904 122.312 120.400 0.013 0.000 2.551 33 D HA 0.003 4.643 4.640 -0.000 0.000 0.223 33 D C 1.307 177.624 176.300 0.029 0.000 1.144 33 D CA -0.161 53.853 54.000 0.023 0.000 1.025 33 D CB 0.992 41.801 40.800 0.015 0.000 1.085 33 D HN 0.225 nan 8.370 nan 0.000 0.506 34 V N 1.128 121.066 119.914 0.039 0.000 2.469 34 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 34 V C 2.195 178.327 176.094 0.063 0.000 1.064 34 V CA 1.511 63.836 62.300 0.042 0.000 1.066 34 V CB -0.861 30.987 31.823 0.042 0.000 0.667 34 V HN 0.591 nan 8.190 nan 0.000 0.461 35 H N 0.034 119.101 119.070 -0.004 0.000 2.389 35 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 35 H C 2.210 177.537 175.328 -0.001 0.000 1.081 35 H CA 1.951 57.996 56.048 -0.004 0.000 1.345 35 H CB 0.259 30.013 29.762 -0.013 0.000 1.393 35 H HN 0.486 nan 8.280 nan 0.000 0.520 36 L N 0.891 122.030 121.223 -0.140 0.000 1.989 36 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 36 L C 2.223 179.009 176.870 -0.141 0.000 1.071 36 L CA 1.265 56.000 54.840 -0.176 0.000 0.749 36 L CB -0.978 41.043 42.059 -0.064 0.000 0.890 36 L HN 0.184 nan 8.230 nan 0.000 0.431 37 L N 0.104 121.286 121.223 -0.068 0.000 1.989 37 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 37 L C 2.691 179.543 176.870 -0.030 0.000 1.071 37 L CA 2.233 57.054 54.840 -0.033 0.000 0.749 37 L CB -1.343 40.712 42.059 -0.007 0.000 0.890 37 L HN 0.574 nan 8.230 nan 0.000 0.431 38 E N -0.361 119.816 120.200 -0.037 0.000 2.051 38 E HA -0.290 4.059 4.350 -0.000 0.000 0.192 38 E C 2.304 178.897 176.600 -0.011 0.000 0.991 38 E CA 1.503 57.903 56.400 -0.002 0.000 0.799 38 E CB -0.051 29.667 29.700 0.030 0.000 0.748 38 E HN 0.395 nan 8.360 nan 0.000 0.449 39 K N -0.123 120.185 120.400 -0.154 0.000 2.057 39 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 39 K C 2.174 178.777 176.600 0.005 0.000 1.049 39 K CA 1.129 57.334 56.287 -0.137 0.000 0.931 39 K CB -0.033 32.239 32.500 -0.382 0.000 0.714 39 K HN 0.116 nan 8.250 nan 0.000 0.440 40 L N 0.734 121.947 121.223 -0.016 0.000 2.056 40 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 40 L C 2.371 179.330 176.870 0.149 0.000 1.078 40 L CA 1.874 56.758 54.840 0.072 0.000 0.749 40 L CB -0.958 41.113 42.059 0.020 0.000 0.901 40 L HN 0.235 nan 8.230 nan 0.000 0.433 41 A N -1.792 121.079 122.820 0.086 0.000 1.930 41 A HA -0.253 4.066 4.320 -0.000 0.000 0.217 41 A C 2.372 179.995 177.584 0.065 0.000 1.175 41 A CA 1.590 53.666 52.037 0.065 0.000 0.627 41 A CB -0.802 18.224 19.000 0.043 0.000 0.815 41 A HN 0.550 nan 8.150 nan 0.000 0.443 42 H N -1.713 117.380 119.070 0.038 0.000 2.395 42 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 42 H C 1.864 177.216 175.328 0.039 0.000 1.070 42 H CA 1.740 57.803 56.048 0.025 0.000 1.356 42 H CB -0.304 29.474 29.762 0.025 0.000 1.401 42 H HN 0.489 nan 8.280 nan 0.000 0.524 43 F N 2.156 122.147 119.950 0.068 0.000 2.134 43 F HA -0.182 4.344 4.527 -0.000 0.000 0.299 43 F C 1.980 177.750 175.800 -0.050 0.000 1.097 43 F CA 1.323 59.332 58.000 0.016 0.000 1.264 43 F CB -0.469 38.535 39.000 0.007 0.000 1.001 43 F HN 0.051 nan 8.300 nan 0.000 0.479 44 N N 0.679 119.306 118.700 -0.121 0.000 2.443 44 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 44 N C 1.133 176.487 175.510 -0.260 0.000 1.037 44 N CA 0.951 53.864 53.050 -0.229 0.000 0.896 44 N CB -0.288 38.166 38.487 -0.055 0.000 0.959 44 N HN 0.435 nan 8.380 nan 0.000 0.442 45 R N 0.085 120.423 120.500 -0.270 0.000 2.546 45 R HA 0.206 4.545 4.340 -0.000 0.000 0.320 45 R C 0.927 177.040 176.300 -0.311 0.000 1.021 45 R CA -0.096 55.844 56.100 -0.267 0.000 1.088 45 R CB 0.442 30.590 30.300 -0.254 0.000 1.278 45 R HN 0.268 nan 8.270 nan 0.000 0.557 46 E N 0.829 120.820 120.200 -0.349 0.000 2.150 46 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 46 E C 0.218 176.669 176.600 -0.250 0.000 0.985 46 E CA 0.788 56.987 56.400 -0.335 0.000 0.814 46 E CB 0.272 29.781 29.700 -0.318 0.000 0.752 46 E HN 0.112 nan 8.360 nan 0.000 0.466 47 R N 1.256 121.647 120.500 -0.183 0.000 2.390 47 R HA 0.202 4.542 4.340 -0.000 0.000 0.291 47 R C 0.170 176.464 176.300 -0.009 0.000 1.070 47 R CA -0.147 55.914 56.100 -0.065 0.000 1.014 47 R CB 1.021 31.276 30.300 -0.076 0.000 1.007 47 R HN -0.051 nan 8.270 nan 0.000 0.466 48 V N -0.637 119.324 119.914 0.079 0.000 3.046 48 V HA 0.624 4.744 4.120 -0.000 0.000 0.316 48 V C -2.196 173.918 176.094 0.034 0.000 1.104 48 V CA -2.380 59.953 62.300 0.055 0.000 1.006 48 V CB 1.673 33.564 31.823 0.114 0.000 1.058 48 V HN 0.620 nan 8.190 nan 0.000 0.440 49 P HA 0.226 nan 4.420 nan 0.000 0.271 49 P C -0.282 177.039 177.300 0.036 0.000 1.216 49 P CA -0.010 63.099 63.100 0.016 0.000 0.771 49 P CB 0.517 32.218 31.700 0.000 0.000 0.864 50 E N 3.057 123.293 120.200 0.060 0.000 2.371 50 E HA 0.191 4.541 4.350 -0.000 0.000 0.257 50 E C -0.326 176.318 176.600 0.073 0.000 1.134 50 E CA -0.882 55.559 56.400 0.069 0.000 0.919 50 E CB 0.628 30.375 29.700 0.078 0.000 1.025 50 E HN 0.285 nan 8.360 nan 0.000 0.438 51 R N 0.629 121.176 120.500 0.078 0.000 2.623 51 R HA -0.033 4.307 4.340 -0.000 0.000 0.271 51 R C 1.067 177.422 176.300 0.091 0.000 1.043 51 R CA 0.019 56.173 56.100 0.089 0.000 1.083 51 R CB 0.691 31.059 30.300 0.113 0.000 0.974 51 R HN 0.543 nan 8.270 nan 0.000 0.436 52 V N 3.798 123.764 119.914 0.086 0.000 2.568 52 V HA -0.125 3.994 4.120 -0.000 0.000 0.253 52 V C 0.517 176.656 176.094 0.075 0.000 1.072 52 V CA 1.781 64.126 62.300 0.074 0.000 1.084 52 V CB 0.150 32.012 31.823 0.066 0.000 0.676 52 V HN 0.540 nan 8.190 nan 0.000 0.469 53 V N -4.481 115.510 119.914 0.129 0.000 3.114 53 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 53 V C 0.109 176.346 176.094 0.239 0.000 1.168 53 V CA -0.700 61.685 62.300 0.143 0.000 1.015 53 V CB 1.509 33.493 31.823 0.267 0.000 1.050 53 V HN 0.416 nan 8.190 nan 0.000 0.433 54 H N 0.381 119.520 119.070 0.116 0.000 2.839 54 H HA -0.211 4.344 4.556 -0.001 0.000 0.298 54 H C 1.479 176.867 175.328 0.101 0.000 1.224 54 H CA 0.860 56.978 56.048 0.118 0.000 1.144 54 H CB -1.207 28.623 29.762 0.114 0.000 1.372 54 H HN 1.226 nan 8.280 nan 0.000 0.408 55 A N 0.477 123.387 122.820 0.150 0.000 1.930 55 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 55 A C 1.598 179.277 177.584 0.159 0.000 1.175 55 A CA 1.432 53.550 52.037 0.135 0.000 0.627 55 A CB 0.038 19.096 19.000 0.098 0.000 0.815 55 A HN 0.178 nan 8.150 nan 0.000 0.443 56 K N 0.661 121.159 120.400 0.164 0.000 2.273 56 K HA 0.497 4.817 4.320 -0.000 0.000 0.287 56 K C -0.017 176.736 176.600 0.255 0.000 1.089 56 K CA 0.590 56.997 56.287 0.200 0.000 0.909 56 K CB 0.139 32.743 32.500 0.175 0.000 1.123 56 K HN 0.321 nan 8.250 nan 0.000 0.473 57 G N 1.188 110.159 108.800 0.286 0.000 2.727 57 G HA2 0.807 4.766 3.960 -0.000 0.000 0.289 57 G HA3 0.807 4.766 3.960 -0.000 0.000 0.289 57 G C -1.654 173.455 174.900 0.350 0.000 1.418 57 G CA -0.526 44.730 45.100 0.261 0.000 0.818 57 G HN 0.666 nan 8.290 nan 0.000 0.486 58 A N -1.446 121.508 122.820 0.223 0.000 2.498 58 A HA 0.987 5.307 4.320 -0.000 0.000 0.298 58 A C -0.077 177.499 177.584 -0.014 0.000 1.075 58 A CA -0.006 52.204 52.037 0.288 0.000 0.714 58 A CB 1.880 21.160 19.000 0.466 0.000 1.299 58 A HN 1.984 nan 8.150 nan 0.000 0.407 59 G N -1.000 107.779 108.800 -0.035 0.000 2.680 59 G HA2 0.937 4.897 3.960 -0.000 0.000 0.290 59 G HA3 0.937 4.897 3.960 -0.000 0.000 0.290 59 G C -0.793 173.919 174.900 -0.313 0.000 1.355 59 G CA -0.090 44.773 45.100 -0.396 0.000 0.903 59 G HN 2.099 nan 8.290 nan 0.000 0.474 60 A N 0.044 122.446 122.820 -0.697 0.000 2.599 60 A HA 0.698 5.018 4.320 -0.000 0.000 0.294 60 A C -1.233 176.078 177.584 -0.456 0.000 1.055 60 A CA -0.751 51.090 52.037 -0.326 0.000 0.683 60 A CB 0.964 19.899 19.000 -0.108 0.000 1.278 60 A HN 0.740 nan 8.150 nan 0.000 0.412 61 H N -0.119 118.965 119.070 0.023 0.000 2.488 61 H HA 0.732 5.288 4.556 -0.000 0.000 0.347 61 H C 0.645 175.954 175.328 -0.033 0.000 1.174 61 H CA 0.840 56.944 56.048 0.093 0.000 1.307 61 H CB 1.900 31.734 29.762 0.119 0.000 1.517 61 H HN 1.187 nan 8.280 nan 0.000 0.554 62 G N 0.278 109.148 108.800 0.116 0.000 2.578 62 G HA2 0.467 4.427 3.960 -0.000 0.000 0.302 62 G HA3 0.467 4.427 3.960 -0.000 0.000 0.302 62 G C -1.287 173.665 174.900 0.087 0.000 1.243 62 G CA -0.456 44.669 45.100 0.041 0.000 0.843 62 G HN 0.654 nan 8.290 nan 0.000 0.486 63 I N -3.237 117.400 120.570 0.113 0.000 3.006 63 I HA 0.868 5.038 4.170 -0.000 0.000 0.306 63 I C -1.984 174.312 176.117 0.299 0.000 1.250 63 I CA -1.230 60.181 61.300 0.185 0.000 0.996 63 I CB 2.741 40.818 38.000 0.128 0.000 1.261 63 I HN 0.488 nan 8.210 nan 0.000 0.442 64 F N 3.264 123.370 119.950 0.260 0.000 2.507 64 F HA 0.634 5.161 4.527 -0.000 0.000 0.325 64 F C -0.772 175.203 175.800 0.291 0.000 1.116 64 F CA -0.496 57.721 58.000 0.361 0.000 0.930 64 F CB 1.672 41.049 39.000 0.627 0.000 1.146 64 F HN 0.582 nan 8.300 nan 0.000 0.447 65 K N 5.996 126.075 120.400 -0.535 0.000 2.413 65 K HA 0.564 4.884 4.320 -0.000 0.000 0.257 65 K C -1.579 174.714 176.600 -0.511 0.000 0.946 65 K CA -0.738 55.362 56.287 -0.311 0.000 0.823 65 K CB 1.715 34.133 32.500 -0.138 0.000 1.109 65 K HN 0.546 nan 8.250 nan 0.000 0.427 66 V N 3.712 123.505 119.914 -0.202 0.000 2.572 66 V HA -0.027 4.093 4.120 -0.000 0.000 0.291 66 V C 1.245 177.299 176.094 -0.067 0.000 1.039 66 V CA 0.455 62.707 62.300 -0.080 0.000 1.055 66 V CB 1.136 32.985 31.823 0.043 0.000 0.969 66 V HN 1.016 nan 8.190 nan 0.000 0.482 67 S N 2.999 118.674 115.700 -0.042 0.000 2.514 67 S HA 0.227 4.697 4.470 -0.000 0.000 0.223 67 S C 0.462 175.066 174.600 0.005 0.000 1.046 67 S CA -0.276 57.913 58.200 -0.019 0.000 0.914 67 S CB 0.294 63.487 63.200 -0.013 0.000 0.807 67 S HN 0.743 nan 8.310 nan 0.000 0.497 68 Q N 1.568 121.382 119.800 0.022 0.000 2.274 68 Q HA 0.447 4.787 4.340 -0.000 0.000 0.268 68 Q C -1.359 174.655 176.000 0.024 0.000 1.015 68 Q CA -0.302 55.517 55.803 0.027 0.000 0.775 68 Q CB 2.209 30.972 28.738 0.041 0.000 1.256 68 Q HN 0.326 nan 8.270 nan 0.000 0.442 69 S N 2.386 118.087 115.700 0.001 0.000 2.560 69 S HA 0.144 4.614 4.470 -0.000 0.000 0.284 69 S C 0.692 175.280 174.600 -0.021 0.000 1.327 69 S CA 0.056 58.238 58.200 -0.031 0.000 1.055 69 S CB 0.348 63.521 63.200 -0.044 0.000 0.868 69 S HN 0.624 nan 8.310 nan 0.000 0.506 70 M N 4.213 123.764 119.600 -0.081 0.000 2.484 70 M HA 0.224 4.704 4.480 -0.000 0.000 0.307 70 M C 1.714 177.921 176.300 -0.155 0.000 1.149 70 M CA -0.043 55.231 55.300 -0.043 0.000 0.972 70 M CB -0.815 31.690 32.600 -0.158 0.000 1.400 70 M HN 0.826 nan 8.290 nan 0.000 0.508 71 A N 0.407 123.122 122.820 -0.176 0.000 2.032 71 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 71 A C 2.078 179.522 177.584 -0.233 0.000 1.165 71 A CA 1.866 53.787 52.037 -0.194 0.000 0.645 71 A CB -0.429 18.485 19.000 -0.144 0.000 0.807 71 A HN 0.481 nan 8.150 nan 0.000 0.453 72 Q N -1.858 117.738 119.800 -0.341 0.000 2.291 72 Q HA -0.104 4.236 4.340 -0.000 0.000 0.205 72 Q C 1.032 176.558 176.000 -0.790 0.000 0.970 72 Q CA 1.746 57.206 55.803 -0.571 0.000 0.876 72 Q CB -0.281 27.968 28.738 -0.816 0.000 0.935 72 Q HN 0.808 nan 8.270 nan 0.000 0.455 73 Y N -2.387 117.747 120.300 -0.277 0.000 2.535 73 Y HA 0.368 4.918 4.550 -0.001 0.000 0.264 73 Y C 0.383 176.209 175.900 -0.123 0.000 1.087 73 Y CA 0.315 58.167 58.100 -0.413 0.000 1.285 73 Y CB 0.923 39.176 38.460 -0.344 0.000 1.200 73 Y HN -0.086 nan 8.280 nan 0.000 0.514 74 T N 0.207 114.650 114.554 -0.185 0.000 2.956 74 T HA 0.271 4.621 4.350 -0.000 0.000 0.312 74 T C -0.200 174.297 174.700 -0.337 0.000 1.151 74 T CA -0.856 61.031 62.100 -0.355 0.000 1.024 74 T CB 1.238 69.494 68.868 -1.020 0.000 1.140 74 T HN 0.283 nan 8.240 nan 0.000 0.473 75 K N 2.410 122.663 120.400 -0.245 0.000 2.458 75 K HA 0.543 4.863 4.320 -0.000 0.000 0.194 75 K C 0.794 177.261 176.600 -0.221 0.000 1.024 75 K CA -0.225 55.947 56.287 -0.191 0.000 1.108 75 K CB 0.083 32.514 32.500 -0.114 0.000 0.846 75 K HN 0.524 nan 8.250 nan 0.000 0.518 76 A N 2.289 124.903 122.820 -0.343 0.000 2.553 76 A HA -0.105 4.214 4.320 -0.000 0.000 0.258 76 A C 0.632 178.077 177.584 -0.232 0.000 1.069 76 A CA 0.312 52.163 52.037 -0.310 0.000 0.767 76 A CB -0.200 18.477 19.000 -0.537 0.000 0.997 76 A HN 0.526 nan 8.150 nan 0.000 0.512 77 D N 2.345 122.709 120.400 -0.061 0.000 2.123 77 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 77 D C 1.376 177.696 176.300 0.034 0.000 0.992 77 D CA 2.346 56.341 54.000 -0.009 0.000 0.833 77 D CB -0.202 40.625 40.800 0.045 0.000 0.954 77 D HN 0.776 nan 8.370 nan 0.000 0.455 78 F N -0.310 119.589 119.950 -0.084 0.000 2.641 78 F HA 0.144 4.671 4.527 -0.000 0.000 0.298 78 F C 0.925 176.730 175.800 0.007 0.000 1.146 78 F CA 0.496 58.487 58.000 -0.014 0.000 1.464 78 F CB -0.423 38.576 39.000 -0.001 0.000 1.101 78 F HN 0.003 nan 8.300 nan 0.000 0.585 79 L N 0.552 121.396 121.223 -0.632 0.000 3.014 79 L HA 0.208 4.547 4.340 -0.000 0.000 0.263 79 L C 2.037 178.733 176.870 -0.289 0.000 1.207 79 L CA 0.424 54.942 54.840 -0.536 0.000 1.017 79 L CB -0.196 41.352 42.059 -0.852 0.000 1.360 79 L HN 0.283 nan 8.230 nan 0.000 0.560 80 S N -1.083 114.501 115.700 -0.192 0.000 2.387 80 S HA 0.024 4.494 4.470 -0.000 0.000 0.226 80 S C 0.712 175.264 174.600 -0.081 0.000 1.026 80 S CA 0.403 58.523 58.200 -0.133 0.000 0.972 80 S CB 0.080 63.223 63.200 -0.094 0.000 0.814 80 S HN 0.445 nan 8.310 nan 0.000 0.477 81 E N 0.350 120.523 120.200 -0.045 0.000 2.277 81 E HA 0.560 4.909 4.350 -0.000 0.000 0.266 81 E C -1.385 175.210 176.600 -0.010 0.000 0.901 81 E CA -0.952 55.434 56.400 -0.023 0.000 0.782 81 E CB 2.483 32.179 29.700 -0.008 0.000 1.228 81 E HN 0.003 nan 8.360 nan 0.000 0.424 82 V N 1.832 121.741 119.914 -0.008 0.000 2.655 82 V HA 0.213 4.333 4.120 -0.000 0.000 0.300 82 V C 1.331 177.426 176.094 0.002 0.000 1.044 82 V CA 1.674 63.972 62.300 -0.004 0.000 1.095 82 V CB 0.590 32.410 31.823 -0.004 0.000 0.952 82 V HN 1.084 nan 8.190 nan 0.000 0.485 83 G N 3.738 112.538 108.800 -0.001 0.000 2.205 83 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.261 83 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.261 83 G C 0.437 175.351 174.900 0.024 0.000 0.980 83 G CA 0.430 45.533 45.100 0.004 0.000 0.632 83 G HN 0.764 nan 8.290 nan 0.000 0.533 84 K N 1.425 121.849 120.400 0.039 0.000 2.447 84 K HA 0.338 4.657 4.320 -0.000 0.000 0.281 84 K C 0.174 176.849 176.600 0.125 0.000 1.031 84 K CA 0.297 56.631 56.287 0.079 0.000 1.019 84 K CB 0.147 32.699 32.500 0.086 0.000 0.918 84 K HN 0.446 nan 8.250 nan 0.000 0.476 85 E N 2.287 122.567 120.200 0.134 0.000 2.204 85 E HA 0.237 4.587 4.350 -0.000 0.000 0.276 85 E C -1.079 175.666 176.600 0.242 0.000 0.974 85 E CA -0.658 55.845 56.400 0.172 0.000 0.815 85 E CB 2.022 31.791 29.700 0.114 0.000 1.119 85 E HN 0.497 nan 8.360 nan 0.000 0.393 86 T N 3.820 118.579 114.554 0.342 0.000 2.921 86 T HA 0.350 4.699 4.350 -0.000 0.000 0.297 86 T C -2.627 172.280 174.700 0.345 0.000 1.013 86 T CA -1.544 60.778 62.100 0.371 0.000 0.990 86 T CB 1.728 70.907 68.868 0.519 0.000 1.023 86 T HN 0.198 nan 8.240 nan 0.000 0.447 87 P HA 0.494 nan 4.420 nan 0.000 0.271 87 P C -1.148 176.364 177.300 0.354 0.000 1.218 87 P CA -0.600 62.651 63.100 0.252 0.000 0.780 87 P CB 0.468 32.263 31.700 0.158 0.000 0.901 88 L N 0.232 121.621 121.223 0.276 0.000 2.568 88 L HA 0.803 5.143 4.340 -0.000 0.000 0.257 88 L C -1.553 175.438 176.870 0.202 0.000 1.024 88 L CA -0.943 53.967 54.840 0.118 0.000 0.854 88 L CB 1.343 43.221 42.059 -0.301 0.000 1.460 88 L HN 0.190 nan 8.230 nan 0.000 0.409 89 F N 0.820 120.689 119.950 -0.134 0.000 2.556 89 F HA 0.925 5.452 4.527 -0.000 0.000 0.314 89 F C -0.637 174.957 175.800 -0.344 0.000 1.106 89 F CA -0.199 57.677 58.000 -0.206 0.000 0.911 89 F CB 1.976 40.898 39.000 -0.131 0.000 1.190 89 F HN 1.013 nan 8.300 nan 0.000 0.448 90 A N 5.661 127.744 122.820 -1.227 0.000 2.413 90 A HA 0.884 5.204 4.320 -0.000 0.000 0.307 90 A C -1.369 175.348 177.584 -1.446 0.000 1.087 90 A CA -0.894 50.386 52.037 -1.261 0.000 0.750 90 A CB 1.682 19.859 19.000 -1.372 0.000 1.296 90 A HN 0.855 nan 8.150 nan 0.000 0.423 91 R N 1.339 121.060 120.500 -1.298 0.000 2.538 91 R HA 0.626 4.966 4.340 -0.000 0.000 0.292 91 R C -2.028 173.606 176.300 -1.109 0.000 1.008 91 R CA -0.360 55.166 56.100 -0.956 0.000 0.896 91 R CB 0.888 30.969 30.300 -0.365 0.000 1.187 91 R HN 0.560 nan 8.270 nan 0.000 0.440 92 F N 1.718 121.242 119.950 -0.709 0.000 2.470 92 F HA 0.653 5.179 4.527 -0.001 0.000 0.329 92 F C 0.327 175.748 175.800 -0.632 0.000 1.072 92 F CA -0.242 57.205 58.000 -0.922 0.000 0.989 92 F CB 2.283 40.236 39.000 -1.745 0.000 1.193 92 F HN 0.678 nan 8.300 nan 0.000 0.481 93 S N -1.253 114.380 115.700 -0.111 0.000 2.636 93 S HA 0.657 5.127 4.470 -0.000 0.000 0.266 93 S C -0.727 174.085 174.600 0.354 0.000 1.147 93 S CA -0.809 57.511 58.200 0.200 0.000 0.815 93 S CB 1.236 64.580 63.200 0.239 0.000 1.119 93 S HN 0.717 nan 8.310 nan 0.000 0.470 94 T N -1.462 113.277 114.554 0.308 0.000 2.888 94 T HA 0.743 5.093 4.350 -0.000 0.000 0.283 94 T C 0.844 175.521 174.700 -0.038 0.000 1.013 94 T CA -0.145 62.085 62.100 0.217 0.000 0.938 94 T CB 0.497 69.483 68.868 0.197 0.000 1.298 94 T HN 0.651 nan 8.240 nan 0.000 0.580 95 V N -0.155 119.687 119.914 -0.121 0.000 2.840 95 V HA 0.306 4.426 4.120 -0.000 0.000 0.234 95 V C 2.838 178.814 176.094 -0.197 0.000 1.159 95 V CA 0.853 62.933 62.300 -0.367 0.000 1.194 95 V CB -1.013 30.710 31.823 -0.168 0.000 0.971 95 V HN 1.012 nan 8.190 nan 0.000 0.494 96 A N 0.618 123.361 122.820 -0.129 0.000 1.930 96 A HA 0.251 4.571 4.320 -0.000 0.000 0.215 96 A C 1.646 179.178 177.584 -0.087 0.000 1.176 96 A CA 1.091 53.043 52.037 -0.143 0.000 0.632 96 A CB -1.069 17.825 19.000 -0.176 0.000 0.819 96 A HN 0.578 nan 8.150 nan 0.000 0.445 97 G N 0.264 109.041 108.800 -0.038 0.000 2.484 97 G HA2 0.372 4.332 3.960 -0.000 0.000 0.235 97 G HA3 0.372 4.332 3.960 -0.000 0.000 0.235 97 G C -0.188 174.719 174.900 0.011 0.000 1.282 97 G CA -0.152 44.943 45.100 -0.009 0.000 0.857 97 G HN 0.474 nan 8.290 nan 0.000 0.571 98 E N 0.376 120.584 120.200 0.013 0.000 2.602 98 E HA 0.269 4.619 4.350 -0.000 0.000 0.255 98 E C 1.878 178.514 176.600 0.060 0.000 1.268 98 E CA -0.730 55.691 56.400 0.035 0.000 1.007 98 E CB 0.659 30.377 29.700 0.031 0.000 1.208 98 E HN 0.297 nan 8.360 nan 0.000 0.584 99 L N 0.198 121.464 121.223 0.072 0.000 2.089 99 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 99 L C 1.742 178.655 176.870 0.071 0.000 1.079 99 L CA 1.744 56.636 54.840 0.087 0.000 0.758 99 L CB -0.489 41.624 42.059 0.089 0.000 0.891 99 L HN 0.684 nan 8.230 nan 0.000 0.433 100 G N -1.167 107.665 108.800 0.054 0.000 3.088 100 G HA2 0.017 3.976 3.960 -0.000 0.000 0.217 100 G HA3 0.017 3.976 3.960 -0.000 0.000 0.217 100 G C 0.676 175.599 174.900 0.038 0.000 1.159 100 G CA 0.351 45.476 45.100 0.042 0.000 0.760 100 G HN 0.411 nan 8.290 nan 0.000 0.550 101 S N 0.054 115.780 115.700 0.043 0.000 2.589 101 S HA 0.443 4.913 4.470 -0.000 0.000 0.265 101 S C 0.461 175.087 174.600 0.043 0.000 1.342 101 S CA -0.369 57.852 58.200 0.035 0.000 1.005 101 S CB 1.301 64.520 63.200 0.032 0.000 0.909 101 S HN 0.052 nan 8.310 nan 0.000 0.555 102 S N 1.076 116.793 115.700 0.028 0.000 2.601 102 S HA 0.194 4.663 4.470 -0.000 0.000 0.271 102 S C 0.606 175.224 174.600 0.029 0.000 1.305 102 S CA -0.653 57.559 58.200 0.019 0.000 1.022 102 S CB 0.788 63.983 63.200 -0.008 0.000 0.940 102 S HN 0.754 nan 8.310 nan 0.000 0.525 103 D N 1.807 122.208 120.400 0.002 0.000 2.123 103 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 103 D C 1.523 177.761 176.300 -0.103 0.000 0.976 103 D CA 1.272 55.263 54.000 -0.015 0.000 0.831 103 D CB -0.530 40.193 40.800 -0.128 0.000 0.974 103 D HN 0.690 nan 8.370 nan 0.000 0.469 104 T N -0.072 114.357 114.554 -0.209 0.000 4.029 104 T HA 0.302 4.651 4.350 -0.000 0.000 0.226 104 T C 0.603 175.290 174.700 -0.021 0.000 0.838 104 T CA -0.193 61.812 62.100 -0.159 0.000 0.907 104 T CB -1.031 67.691 68.868 -0.244 0.000 1.296 104 T HN -0.062 nan 8.240 nan 0.000 0.711 105 L N 0.362 121.614 121.223 0.047 0.000 2.334 105 L HA 0.575 4.915 4.340 -0.000 0.000 0.270 105 L C 0.696 177.637 176.870 0.119 0.000 1.018 105 L CA -1.581 53.300 54.840 0.068 0.000 0.811 105 L CB 1.560 43.655 42.059 0.061 0.000 1.271 105 L HN 0.188 nan 8.230 nan 0.000 0.443 106 R N 1.331 121.903 120.500 0.119 0.000 2.316 106 R HA 0.298 4.637 4.340 -0.000 0.000 0.314 106 R C -1.435 174.972 176.300 0.178 0.000 1.069 106 R CA 0.265 56.460 56.100 0.157 0.000 0.959 106 R CB 0.338 30.734 30.300 0.161 0.000 0.987 106 R HN 0.605 nan 8.270 nan 0.000 0.446 107 D N 3.387 123.918 120.400 0.217 0.000 2.912 107 D HA 0.230 4.869 4.640 -0.000 0.000 0.263 107 D C -2.887 173.586 176.300 0.289 0.000 1.152 107 D CA -1.006 53.138 54.000 0.241 0.000 0.728 107 D CB 1.722 42.629 40.800 0.178 0.000 1.337 107 D HN 0.216 nan 8.370 nan 0.000 0.435 108 P HA 0.429 nan 4.420 nan 0.000 0.274 108 P C -0.800 176.717 177.300 0.361 0.000 1.246 108 P CA -0.523 62.795 63.100 0.364 0.000 0.795 108 P CB 0.556 32.538 31.700 0.470 0.000 1.006 109 R N 0.788 121.515 120.500 0.378 0.000 2.514 109 R HA 0.556 4.896 4.340 -0.000 0.000 0.301 109 R C 0.356 176.903 176.300 0.413 0.000 0.962 109 R CA -0.716 55.626 56.100 0.403 0.000 0.882 109 R CB 1.280 31.830 30.300 0.417 0.000 1.143 109 R HN 0.615 nan 8.270 nan 0.000 0.452 110 G N 1.020 110.069 108.800 0.414 0.000 2.467 110 G HA2 0.335 4.295 3.960 -0.000 0.000 0.257 110 G HA3 0.335 4.295 3.960 -0.000 0.000 0.257 110 G C -0.978 173.982 174.900 0.101 0.000 1.227 110 G CA -0.120 45.113 45.100 0.222 0.000 0.835 110 G HN 0.454 nan 8.290 nan 0.000 0.556 111 F N 2.364 122.187 119.950 -0.211 0.000 2.769 111 F HA 0.566 5.093 4.527 -0.000 0.000 0.358 111 F C 0.351 175.762 175.800 -0.648 0.000 1.285 111 F CA -0.985 56.811 58.000 -0.340 0.000 1.199 111 F CB 0.708 39.579 39.000 -0.216 0.000 1.558 111 F HN 0.645 nan 8.300 nan 0.000 0.583 112 A N 3.912 126.213 122.820 -0.866 0.000 2.301 112 A HA 0.755 5.074 4.320 -0.000 0.000 0.298 112 A C -1.488 175.295 177.584 -1.335 0.000 1.185 112 A CA -0.301 50.998 52.037 -1.230 0.000 0.830 112 A CB 0.550 18.440 19.000 -1.850 0.000 1.112 112 A HN 0.451 nan 8.150 nan 0.000 0.508 113 L N 1.922 122.553 121.223 -0.987 0.000 2.385 113 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 113 L C 0.031 176.633 176.870 -0.446 0.000 0.990 113 L CA -0.270 54.115 54.840 -0.759 0.000 0.821 113 L CB 1.952 43.524 42.059 -0.812 0.000 1.279 113 L HN 0.771 nan 8.230 nan 0.000 0.412 114 K N 3.096 123.290 120.400 -0.342 0.000 2.483 114 K HA 0.544 4.863 4.320 -0.000 0.000 0.256 114 K C -1.576 174.632 176.600 -0.653 0.000 0.961 114 K CA -0.377 55.681 56.287 -0.383 0.000 0.873 114 K CB 0.702 32.968 32.500 -0.390 0.000 1.107 114 K HN 0.293 nan 8.250 nan 0.000 0.432 115 F N 3.973 123.626 119.950 -0.494 0.000 2.391 115 F HA 0.263 4.790 4.527 -0.000 0.000 0.359 115 F C -0.303 175.247 175.800 -0.416 0.000 1.122 115 F CA -0.608 57.153 58.000 -0.398 0.000 1.120 115 F CB 0.657 39.358 39.000 -0.498 0.000 1.142 115 F HN 0.421 nan 8.300 nan 0.000 0.483 116 Y N 1.779 122.113 120.300 0.057 0.000 2.636 116 Y HA 0.204 4.753 4.550 -0.000 0.000 0.334 116 Y C 1.111 177.037 175.900 0.043 0.000 1.286 116 Y CA -0.848 57.266 58.100 0.024 0.000 1.688 116 Y CB -0.483 37.981 38.460 0.007 0.000 1.662 116 Y HN 0.561 nan 8.280 nan 0.000 0.465 117 T N -3.306 111.303 114.554 0.092 0.000 2.816 117 T HA 0.096 4.446 4.350 -0.000 0.000 0.282 117 T C 0.895 175.653 174.700 0.096 0.000 0.993 117 T CA -0.799 61.355 62.100 0.090 0.000 0.994 117 T CB 1.009 69.882 68.868 0.008 0.000 1.025 117 T HN 0.397 nan 8.240 nan 0.000 0.529 118 D N 0.275 120.735 120.400 0.100 0.000 2.378 118 D HA 0.026 4.666 4.640 -0.000 0.000 0.227 118 D C 0.854 177.186 176.300 0.054 0.000 1.012 118 D CA 0.736 54.780 54.000 0.073 0.000 0.905 118 D CB 0.193 41.034 40.800 0.068 0.000 0.895 118 D HN 0.750 nan 8.370 nan 0.000 0.532 119 E N 0.031 120.262 120.200 0.052 0.000 2.789 119 E HA 0.438 4.788 4.350 -0.000 0.000 0.208 119 E C 0.435 177.056 176.600 0.033 0.000 0.988 119 E CA -0.437 55.985 56.400 0.037 0.000 1.092 119 E CB 1.141 30.860 29.700 0.031 0.000 1.066 119 E HN 0.100 nan 8.360 nan 0.000 0.465 120 G N 1.444 110.266 108.800 0.035 0.000 2.459 120 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.685 120 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.685 120 G C -1.129 173.778 174.900 0.012 0.000 1.303 120 G CA -1.125 43.991 45.100 0.027 0.000 0.907 120 G HN 0.195 nan 8.290 nan 0.000 0.632 121 N N 0.181 118.870 118.700 -0.018 0.000 2.430 121 N HA 0.381 5.121 4.740 -0.000 0.000 0.265 121 N C -0.615 174.858 175.510 -0.060 0.000 1.100 121 N CA -0.189 52.800 53.050 -0.102 0.000 0.961 121 N CB 1.009 39.386 38.487 -0.183 0.000 1.075 121 N HN 0.542 nan 8.380 nan 0.000 0.478 122 Y N 2.787 122.956 120.300 -0.219 0.000 2.335 122 Y HA 0.202 4.752 4.550 -0.001 0.000 0.339 122 Y C -0.906 174.911 175.900 -0.137 0.000 0.987 122 Y CA -0.955 57.017 58.100 -0.214 0.000 1.140 122 Y CB 0.739 38.966 38.460 -0.388 0.000 1.173 122 Y HN 0.445 nan 8.280 nan 0.000 0.486 123 D N 6.785 126.787 120.400 -0.664 0.000 2.217 123 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 123 D C -1.220 174.526 176.300 -0.923 0.000 1.054 123 D CA -0.247 53.394 54.000 -0.599 0.000 0.838 123 D CB 2.376 42.995 40.800 -0.303 0.000 1.162 123 D HN 0.450 nan 8.370 nan 0.000 0.472 124 L N 3.550 124.343 121.223 -0.717 0.000 2.324 124 L HA 0.317 4.657 4.340 -0.000 0.000 0.274 124 L C -1.191 175.381 176.870 -0.496 0.000 1.012 124 L CA -0.662 53.789 54.840 -0.648 0.000 0.859 124 L CB 1.005 42.797 42.059 -0.445 0.000 1.224 124 L HN 0.056 nan 8.230 nan 0.000 0.429 125 V N 5.813 125.466 119.914 -0.435 0.000 2.247 125 V HA 0.561 4.681 4.120 -0.000 0.000 0.262 125 V C 0.936 176.889 176.094 -0.236 0.000 1.096 125 V CA -0.278 61.777 62.300 -0.408 0.000 0.895 125 V CB 0.487 32.052 31.823 -0.430 0.000 1.141 125 V HN 0.836 nan 8.190 nan 0.000 0.478 126 G N 3.105 111.792 108.800 -0.189 0.000 2.887 126 G HA2 0.615 4.574 3.960 -0.000 0.000 0.277 126 G HA3 0.615 4.574 3.960 -0.000 0.000 0.277 126 G C -0.778 174.141 174.900 0.031 0.000 1.346 126 G CA -0.604 44.468 45.100 -0.047 0.000 1.058 126 G HN 0.474 nan 8.290 nan 0.000 0.535 127 N N -0.802 117.974 118.700 0.127 0.000 2.629 127 N HA 0.213 4.952 4.740 -0.000 0.000 0.279 127 N C 0.144 175.835 175.510 0.301 0.000 1.344 127 N CA -0.711 52.483 53.050 0.241 0.000 0.789 127 N CB 1.488 40.142 38.487 0.279 0.000 1.508 127 N HN 0.533 nan 8.380 nan 0.000 0.516 128 N N -1.013 117.901 118.700 0.358 0.000 2.362 128 N HA -0.013 4.727 4.740 -0.000 0.000 0.211 128 N C -0.453 175.355 175.510 0.496 0.000 1.170 128 N CA 0.058 53.357 53.050 0.415 0.000 0.828 128 N CB 0.008 38.720 38.487 0.374 0.000 1.034 128 N HN 0.389 nan 8.380 nan 0.000 0.475 129 T N -0.060 114.690 114.554 0.326 0.000 2.912 129 T HA 0.365 4.715 4.350 -0.000 0.000 0.299 129 T C -2.446 171.948 174.700 -0.510 0.000 1.052 129 T CA -1.701 60.321 62.100 -0.130 0.000 0.996 129 T CB 2.284 71.095 68.868 -0.096 0.000 1.070 129 T HN -0.168 nan 8.240 nan 0.000 0.465 130 P HA 0.177 nan 4.420 nan 0.000 0.236 130 P C 0.545 177.603 177.300 -0.404 0.000 1.177 130 P CA 0.329 62.896 63.100 -0.888 0.000 0.773 130 P CB -0.058 31.049 31.700 -0.989 0.000 0.878 131 I N -6.117 114.234 120.570 -0.365 0.000 3.445 131 I HA 0.703 4.872 4.170 -0.000 0.000 0.303 131 I C -0.892 175.160 176.117 -0.109 0.000 1.129 131 I CA -1.525 59.624 61.300 -0.252 0.000 0.989 131 I CB 1.510 39.281 38.000 -0.381 0.000 1.314 131 I HN -0.315 nan 8.210 nan 0.000 0.488 132 F N -0.499 119.282 119.950 -0.283 0.000 2.692 132 F HA 0.540 5.067 4.527 -0.001 0.000 0.320 132 F C -0.177 175.452 175.800 -0.287 0.000 1.123 132 F CA -1.076 56.783 58.000 -0.235 0.000 0.961 132 F CB 1.769 40.763 39.000 -0.011 0.000 1.383 132 F HN 0.401 nan 8.300 nan 0.000 0.483 133 F N 1.975 121.402 119.950 -0.871 0.000 2.367 133 F HA 0.142 4.669 4.527 -0.000 0.000 0.298 133 F C 0.754 176.367 175.800 -0.312 0.000 1.094 133 F CA 0.800 58.403 58.000 -0.662 0.000 1.409 133 F CB -0.280 38.085 39.000 -1.058 0.000 1.064 133 F HN 0.146 nan 8.300 nan 0.000 0.528 134 I N -2.292 118.361 120.570 0.138 0.000 3.108 134 I HA 0.554 4.724 4.170 -0.000 0.000 0.312 134 I C 0.187 176.515 176.117 0.352 0.000 1.095 134 I CA -1.176 60.285 61.300 0.267 0.000 1.000 134 I CB 2.385 40.604 38.000 0.365 0.000 1.229 134 I HN -0.170 nan 8.210 nan 0.000 0.454 135 R N -0.282 120.402 120.500 0.307 0.000 2.446 135 R HA 0.372 4.712 4.340 -0.000 0.000 0.254 135 R C -0.532 175.984 176.300 0.359 0.000 0.918 135 R CA -0.281 56.018 56.100 0.333 0.000 1.069 135 R CB 0.377 30.879 30.300 0.336 0.000 1.194 135 R HN 0.595 nan 8.270 nan 0.000 0.534 136 D N 0.160 120.746 120.400 0.310 0.000 2.629 136 D HA 0.314 4.954 4.640 -0.000 0.000 0.250 136 D C 0.453 176.903 176.300 0.250 0.000 1.126 136 D CA -0.371 53.775 54.000 0.243 0.000 0.852 136 D CB 2.046 42.958 40.800 0.187 0.000 1.335 136 D HN 0.029 nan 8.370 nan 0.000 0.518 137 A N 4.134 127.074 122.820 0.200 0.000 2.024 137 A HA -0.168 4.151 4.320 -0.000 0.000 0.220 137 A C 2.099 179.820 177.584 0.228 0.000 1.164 137 A CA 0.846 53.003 52.037 0.200 0.000 0.643 137 A CB -0.472 18.604 19.000 0.126 0.000 0.806 137 A HN 0.757 nan 8.150 nan 0.000 0.451 138 I N -1.295 119.385 120.570 0.183 0.000 2.700 138 I HA -0.178 3.992 4.170 -0.000 0.000 0.261 138 I C 1.382 177.613 176.117 0.189 0.000 1.219 138 I CA 1.177 62.572 61.300 0.159 0.000 1.463 138 I CB 0.040 38.109 38.000 0.114 0.000 1.092 138 I HN 0.142 nan 8.210 nan 0.000 0.452 139 K N -0.366 120.189 120.400 0.257 0.000 2.367 139 K HA 0.007 4.327 4.320 -0.000 0.000 0.194 139 K C 1.585 178.374 176.600 0.316 0.000 1.027 139 K CA 0.159 56.623 56.287 0.294 0.000 1.075 139 K CB -0.028 32.695 32.500 0.372 0.000 0.845 139 K HN 0.212 nan 8.250 nan 0.000 0.529 140 F N 3.216 123.280 119.950 0.191 0.000 2.065 140 F HA -0.134 4.393 4.527 -0.001 0.000 0.298 140 F C -0.992 174.826 175.800 0.029 0.000 1.112 140 F CA 1.192 59.316 58.000 0.206 0.000 1.212 140 F CB -1.007 38.106 39.000 0.188 0.000 0.975 140 F HN 0.010 nan 8.300 nan 0.000 0.476 141 P HA -0.147 nan 4.420 nan 0.000 0.218 141 P C 1.220 178.143 177.300 -0.629 0.000 1.148 141 P CA 1.946 64.803 63.100 -0.405 0.000 0.822 141 P CB -0.071 31.461 31.700 -0.280 0.000 0.784 142 D N -1.427 118.768 120.400 -0.342 0.000 2.097 142 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 142 D C 1.850 177.730 176.300 -0.699 0.000 0.984 142 D CA 0.969 54.764 54.000 -0.342 0.000 0.826 142 D CB -0.785 39.990 40.800 -0.042 0.000 0.973 142 D HN 0.196 nan 8.370 nan 0.000 0.460 143 F N 1.725 121.112 119.950 -0.938 0.000 2.075 143 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 143 F C 2.200 177.495 175.800 -0.842 0.000 1.113 143 F CA 1.062 58.335 58.000 -1.211 0.000 1.218 143 F CB 0.052 38.707 39.000 -0.576 0.000 0.984 143 F HN -0.192 nan 8.300 nan 0.000 0.472 144 I N 0.547 120.522 120.570 -0.992 0.000 2.286 144 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 144 I C 2.360 178.136 176.117 -0.568 0.000 1.115 144 I CA 1.691 62.431 61.300 -0.934 0.000 1.392 144 I CB -1.896 35.623 38.000 -0.802 0.000 1.065 144 I HN 0.365 nan 8.210 nan 0.000 0.418 145 H N 0.498 119.253 119.070 -0.525 0.000 2.353 145 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 145 H C 2.490 177.569 175.328 -0.415 0.000 1.090 145 H CA 1.559 57.379 56.048 -0.379 0.000 1.327 145 H CB 0.223 29.823 29.762 -0.270 0.000 1.383 145 H HN 0.385 nan 8.280 nan 0.000 0.508 146 S N 0.500 115.958 115.700 -0.402 0.000 2.402 146 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 146 S C 1.889 176.180 174.600 -0.515 0.000 1.021 146 S CA 0.800 58.744 58.200 -0.427 0.000 0.974 146 S CB 0.028 62.924 63.200 -0.505 0.000 0.800 146 S HN 0.360 nan 8.310 nan 0.000 0.484 147 Q N 1.008 120.395 119.800 -0.689 0.000 2.311 147 Q HA 0.250 4.590 4.340 -0.000 0.000 0.203 147 Q C 0.880 176.617 176.000 -0.438 0.000 0.954 147 Q CA 0.751 56.152 55.803 -0.670 0.000 0.885 147 Q CB 0.039 28.214 28.738 -0.937 0.000 0.963 147 Q HN 0.658 nan 8.270 nan 0.000 0.471 148 K N 0.183 120.362 120.400 -0.368 0.000 2.727 148 K HA 0.335 4.654 4.320 -0.000 0.000 0.299 148 K C 0.173 176.630 176.600 -0.239 0.000 0.996 148 K CA -0.707 55.417 56.287 -0.271 0.000 1.212 148 K CB 0.536 32.899 32.500 -0.227 0.000 1.529 148 K HN -0.124 nan 8.250 nan 0.000 0.646 149 R N 1.263 121.625 120.500 -0.230 0.000 2.582 149 R HA 0.074 4.414 4.340 -0.000 0.000 0.271 149 R C -0.125 176.074 176.300 -0.169 0.000 1.078 149 R CA -0.315 55.645 56.100 -0.233 0.000 1.127 149 R CB 0.260 30.334 30.300 -0.377 0.000 1.038 149 R HN 0.457 nan 8.270 nan 0.000 0.500 150 N N 2.866 121.489 118.700 -0.129 0.000 2.447 150 N HA -0.010 4.730 4.740 -0.000 0.000 0.263 150 N C -1.475 174.001 175.510 -0.055 0.000 1.226 150 N CA -1.166 51.833 53.050 -0.085 0.000 0.906 150 N CB 0.786 39.241 38.487 -0.053 0.000 1.060 150 N HN 0.329 nan 8.380 nan 0.000 0.468 151 P HA -0.164 nan 4.420 nan 0.000 0.225 151 P C 0.751 178.039 177.300 -0.020 0.000 1.148 151 P CA 1.194 64.260 63.100 -0.057 0.000 0.779 151 P CB 0.287 31.928 31.700 -0.099 0.000 0.780 152 R N 0.229 120.720 120.500 -0.015 0.000 2.103 152 R HA 0.005 4.344 4.340 -0.000 0.000 0.212 152 R C 2.247 178.555 176.300 0.012 0.000 1.107 152 R CA 1.750 57.847 56.100 -0.006 0.000 1.025 152 R CB -0.412 29.882 30.300 -0.011 0.000 0.929 152 R HN 0.168 nan 8.270 nan 0.000 0.456 153 T N -3.687 110.880 114.554 0.022 0.000 3.037 153 T HA 0.043 4.392 4.350 -0.000 0.000 0.251 153 T C 0.376 175.143 174.700 0.112 0.000 1.079 153 T CA 0.721 62.846 62.100 0.041 0.000 1.067 153 T CB 0.049 68.929 68.868 0.019 0.000 0.948 153 T HN 0.559 nan 8.240 nan 0.000 0.496 154 H N -0.106 118.937 119.070 -0.045 0.000 3.237 154 H HA -0.108 4.448 4.556 -0.000 0.000 0.231 154 H C -0.620 174.682 175.328 -0.044 0.000 1.148 154 H CA 0.599 56.619 56.048 -0.048 0.000 1.155 154 H CB -2.224 27.515 29.762 -0.038 0.000 1.210 154 H HN 0.535 nan 8.280 nan 0.000 0.317 155 L N 0.642 121.828 121.223 -0.061 0.000 2.360 155 L HA 0.357 4.697 4.340 -0.000 0.000 0.271 155 L C 0.969 177.771 176.870 -0.114 0.000 1.057 155 L CA -0.994 53.796 54.840 -0.084 0.000 0.803 155 L CB 1.021 43.062 42.059 -0.030 0.000 1.207 155 L HN -0.020 nan 8.230 nan 0.000 0.445 156 K N 0.984 121.318 120.400 -0.110 0.000 2.355 156 K HA 0.136 4.456 4.320 -0.000 0.000 0.270 156 K C -0.169 176.384 176.600 -0.078 0.000 1.003 156 K CA 0.036 56.255 56.287 -0.113 0.000 0.957 156 K CB 1.206 33.649 32.500 -0.096 0.000 0.939 156 K HN 0.500 nan 8.250 nan 0.000 0.482 157 S N 3.273 118.917 115.700 -0.093 0.000 2.653 157 S HA 0.265 4.735 4.470 -0.000 0.000 0.272 157 S C -1.708 172.869 174.600 -0.039 0.000 1.221 157 S CA -1.638 56.529 58.200 -0.055 0.000 1.149 157 S CB 0.816 63.978 63.200 -0.063 0.000 1.029 157 S HN 0.300 nan 8.310 nan 0.000 0.481 158 P HA -0.068 nan 4.420 nan 0.000 0.220 158 P C 0.966 178.391 177.300 0.208 0.000 1.148 158 P CA 0.857 64.044 63.100 0.145 0.000 0.803 158 P CB 0.345 32.186 31.700 0.236 0.000 0.782 159 E N 0.297 120.574 120.200 0.129 0.000 2.085 159 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 159 E C 2.250 178.910 176.600 0.100 0.000 0.994 159 E CA 1.712 58.190 56.400 0.131 0.000 0.801 159 E CB -0.783 28.963 29.700 0.078 0.000 0.743 159 E HN 0.162 nan 8.360 nan 0.000 0.453 160 A N -0.029 122.799 122.820 0.014 0.000 1.897 160 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 160 A C 2.427 179.934 177.584 -0.128 0.000 1.181 160 A CA 1.116 53.130 52.037 -0.037 0.000 0.620 160 A CB -0.605 18.338 19.000 -0.095 0.000 0.821 160 A HN 0.153 nan 8.150 nan 0.000 0.443 161 V N -1.857 117.895 119.914 -0.269 0.000 2.255 161 V HA -0.313 3.806 4.120 -0.000 0.000 0.247 161 V C 2.280 177.972 176.094 -0.670 0.000 1.051 161 V CA 2.154 64.053 62.300 -0.669 0.000 1.018 161 V CB -0.954 30.385 31.823 -0.806 0.000 0.641 161 V HN 0.825 nan 8.190 nan 0.000 0.445 162 W N -0.282 120.969 121.300 -0.081 0.000 2.518 162 W HA -0.027 4.632 4.660 -0.001 0.000 0.273 162 W C 2.282 178.863 176.519 0.102 0.000 1.247 162 W CA 0.876 58.287 57.345 0.110 0.000 1.288 162 W CB -0.354 29.195 29.460 0.150 0.000 1.107 162 W HN 0.288 nan 8.180 nan 0.000 0.586 163 D N 0.081 120.634 120.400 0.255 0.000 2.097 163 D HA -0.265 4.374 4.640 -0.000 0.000 0.195 163 D C 1.864 178.325 176.300 0.269 0.000 0.989 163 D CA 1.350 55.491 54.000 0.235 0.000 0.827 163 D CB -0.523 40.401 40.800 0.207 0.000 0.966 163 D HN 0.086 nan 8.370 nan 0.000 0.456 164 F N -0.211 119.774 119.950 0.059 0.000 2.102 164 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 164 F C 1.875 177.769 175.800 0.157 0.000 1.105 164 F CA 1.393 59.427 58.000 0.057 0.000 1.239 164 F CB -0.327 38.609 39.000 -0.106 0.000 0.991 164 F HN 0.052 nan 8.300 nan 0.000 0.474 165 W N 0.790 122.103 121.300 0.022 0.000 2.388 165 W HA -0.101 4.558 4.660 -0.000 0.000 0.294 165 W C 3.022 179.463 176.519 -0.130 0.000 1.212 165 W CA 1.612 58.893 57.345 -0.107 0.000 1.271 165 W CB -1.720 27.692 29.460 -0.080 0.000 1.126 165 W HN 0.256 nan 8.180 nan 0.000 0.535 166 S N -1.195 114.609 115.700 0.173 0.000 2.442 166 S HA -0.175 4.295 4.470 -0.000 0.000 0.236 166 S C 1.376 175.848 174.600 -0.213 0.000 1.007 166 S CA 1.239 59.421 58.200 -0.031 0.000 0.965 166 S CB -0.739 62.421 63.200 -0.066 0.000 0.773 166 S HN 0.302 nan 8.310 nan 0.000 0.504 167 H N 0.516 119.540 119.070 -0.077 0.000 2.586 167 H HA 0.417 4.973 4.556 -0.001 0.000 0.273 167 H C -0.175 175.016 175.328 -0.230 0.000 0.997 167 H CA 0.127 56.098 56.048 -0.129 0.000 1.177 167 H CB 0.485 30.175 29.762 -0.120 0.000 1.471 167 H HN 0.374 nan 8.280 nan 0.000 0.538 168 S N 2.461 118.039 115.700 -0.204 0.000 2.112 168 S HA 0.130 4.599 4.470 -0.000 0.000 0.151 168 S C -1.742 172.683 174.600 -0.292 0.000 1.723 168 S CA -0.860 57.167 58.200 -0.289 0.000 1.263 168 S CB 1.653 64.565 63.200 -0.479 0.000 1.194 168 S HN 0.218 nan 8.310 nan 0.000 0.419 169 P HA -0.203 nan 4.420 nan 0.000 0.222 169 P C 1.304 178.187 177.300 -0.694 0.000 1.142 169 P CA 1.121 63.932 63.100 -0.481 0.000 0.788 169 P CB 0.173 31.633 31.700 -0.399 0.000 0.767 170 E N 0.975 120.704 120.200 -0.785 0.000 2.409 170 E HA -0.100 4.249 4.350 -0.000 0.000 0.198 170 E C 1.471 177.924 176.600 -0.245 0.000 1.024 170 E CA 1.259 57.373 56.400 -0.478 0.000 0.861 170 E CB -0.827 28.732 29.700 -0.234 0.000 0.788 170 E HN 0.366 nan 8.360 nan 0.000 0.521 171 S N 0.381 115.923 115.700 -0.263 0.000 2.528 171 S HA 0.078 4.548 4.470 -0.000 0.000 0.219 171 S C 2.072 176.482 174.600 -0.317 0.000 0.985 171 S CA -0.136 57.911 58.200 -0.255 0.000 0.914 171 S CB -0.502 62.551 63.200 -0.244 0.000 0.776 171 S HN 0.185 nan 8.310 nan 0.000 0.526 172 L N 1.058 122.119 121.223 -0.270 0.000 2.043 172 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 172 L C 2.854 179.717 176.870 -0.011 0.000 1.075 172 L CA 2.224 56.961 54.840 -0.171 0.000 0.752 172 L CB -0.878 41.080 42.059 -0.167 0.000 0.891 172 L HN 0.523 nan 8.230 nan 0.000 0.432 173 H N -0.790 118.194 119.070 -0.143 0.000 2.290 173 H HA -0.251 4.305 4.556 -0.000 0.000 0.298 173 H C 2.412 177.641 175.328 -0.165 0.000 1.087 173 H CA 1.592 57.581 56.048 -0.099 0.000 1.291 173 H CB 0.326 30.019 29.762 -0.115 0.000 1.369 173 H HN 0.214 nan 8.280 nan 0.000 0.492 174 Q N 0.602 120.222 119.800 -0.300 0.000 2.167 174 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 174 Q C 2.308 178.038 176.000 -0.449 0.000 0.970 174 Q CA 1.357 56.813 55.803 -0.577 0.000 0.855 174 Q CB -0.317 27.772 28.738 -1.082 0.000 0.911 174 Q HN 0.351 nan 8.270 nan 0.000 0.438 175 V N 0.187 119.891 119.914 -0.350 0.000 2.407 175 V HA -0.269 3.850 4.120 -0.000 0.000 0.248 175 V C 2.085 178.199 176.094 0.033 0.000 1.055 175 V CA 2.184 64.333 62.300 -0.252 0.000 1.049 175 V CB -0.878 30.684 31.823 -0.434 0.000 0.662 175 V HN 0.465 nan 8.190 nan 0.000 0.455 176 T N 0.144 114.777 114.554 0.131 0.000 2.746 176 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 176 T C 1.801 176.581 174.700 0.133 0.000 1.039 176 T CA 1.625 63.874 62.100 0.249 0.000 1.142 176 T CB -0.219 68.856 68.868 0.346 0.000 0.866 176 T HN 0.354 nan 8.240 nan 0.000 0.444 177 I N 0.620 121.213 120.570 0.037 0.000 2.252 177 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 177 I C 2.418 178.562 176.117 0.045 0.000 1.102 177 I CA 0.904 62.208 61.300 0.005 0.000 1.385 177 I CB -0.352 37.583 38.000 -0.109 0.000 1.064 177 I HN 0.208 nan 8.210 nan 0.000 0.414 178 L N 0.406 121.655 121.223 0.043 0.000 2.042 178 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 178 L C 2.419 179.394 176.870 0.174 0.000 1.076 178 L CA 1.637 56.564 54.840 0.145 0.000 0.749 178 L CB -0.114 42.088 42.059 0.238 0.000 0.893 178 L HN 0.291 nan 8.230 nan 0.000 0.432 179 M N -0.481 119.224 119.600 0.175 0.000 2.595 179 M HA 0.020 4.500 4.480 -0.000 0.000 0.248 179 M C 1.440 177.820 176.300 0.133 0.000 1.119 179 M CA 0.260 55.672 55.300 0.188 0.000 1.079 179 M CB -1.041 31.703 32.600 0.239 0.000 1.472 179 M HN 0.316 nan 8.290 nan 0.000 0.501 180 S N 0.101 115.866 115.700 0.108 0.000 2.640 180 S HA 0.104 4.574 4.470 -0.000 0.000 0.262 180 S C 0.900 175.546 174.600 0.076 0.000 1.232 180 S CA -0.410 57.834 58.200 0.073 0.000 0.988 180 S CB 0.933 64.169 63.200 0.060 0.000 1.034 180 S HN 0.182 nan 8.310 nan 0.000 0.569 181 D N 0.522 120.957 120.400 0.057 0.000 2.144 181 D HA -0.046 4.593 4.640 -0.000 0.000 0.199 181 D C 1.954 178.302 176.300 0.080 0.000 0.984 181 D CA 1.077 55.112 54.000 0.059 0.000 0.834 181 D CB -0.338 40.486 40.800 0.039 0.000 0.955 181 D HN 0.527 nan 8.370 nan 0.000 0.465 182 R N 0.397 120.949 120.500 0.087 0.000 2.377 182 R HA 0.007 4.346 4.340 -0.000 0.000 0.207 182 R C 2.055 178.437 176.300 0.136 0.000 1.075 182 R CA 0.626 56.791 56.100 0.108 0.000 1.035 182 R CB -0.348 30.020 30.300 0.113 0.000 0.857 182 R HN 0.114 nan 8.270 nan 0.000 0.475 183 G N 0.984 109.864 108.800 0.134 0.000 2.509 183 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 183 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 183 G C 0.730 175.736 174.900 0.177 0.000 1.124 183 G CA 0.361 45.559 45.100 0.163 0.000 0.776 183 G HN 0.192 nan 8.290 nan 0.000 0.547 184 I N 1.060 121.725 120.570 0.159 0.000 2.595 184 I HA 0.239 4.408 4.170 -0.000 0.000 0.276 184 I C -2.717 173.506 176.117 0.176 0.000 1.109 184 I CA -1.988 59.419 61.300 0.178 0.000 1.084 184 I CB 2.721 40.804 38.000 0.138 0.000 1.206 184 I HN -0.171 nan 8.210 nan 0.000 0.486 185 P HA 0.061 nan 4.420 nan 0.000 0.272 185 P C 0.644 178.045 177.300 0.170 0.000 1.223 185 P CA -0.420 62.760 63.100 0.132 0.000 0.784 185 P CB 1.079 32.827 31.700 0.079 0.000 0.923 186 L N 1.660 122.966 121.223 0.137 0.000 2.093 186 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 186 L C 0.563 177.586 176.870 0.255 0.000 1.085 186 L CA 2.035 57.001 54.840 0.210 0.000 0.755 186 L CB -0.470 41.606 42.059 0.028 0.000 0.904 186 L HN 0.588 nan 8.230 nan 0.000 0.435 187 S N -3.821 111.865 115.700 -0.023 0.000 2.615 187 S HA 0.251 4.721 4.470 -0.000 0.000 0.268 187 S C 0.427 174.794 174.600 -0.389 0.000 1.146 187 S CA -0.523 57.448 58.200 -0.382 0.000 0.818 187 S CB -0.593 62.582 63.200 -0.041 0.000 1.111 187 S HN 0.089 nan 8.310 nan 0.000 0.465 188 F N 0.870 120.577 119.950 -0.404 0.000 2.333 188 F HA 0.023 4.550 4.527 -0.001 0.000 0.300 188 F C 2.515 178.134 175.800 -0.301 0.000 1.083 188 F CA 0.675 58.388 58.000 -0.478 0.000 1.395 188 F CB -0.107 38.438 39.000 -0.758 0.000 1.056 188 F HN 0.429 nan 8.300 nan 0.000 0.529 189 R N -0.844 119.597 120.500 -0.098 0.000 2.276 189 R HA -0.023 4.317 4.340 -0.000 0.000 0.203 189 R C 0.400 176.406 176.300 -0.491 0.000 1.017 189 R CA 0.620 56.554 56.100 -0.277 0.000 1.010 189 R CB -0.211 29.817 30.300 -0.454 0.000 0.900 189 R HN 0.320 nan 8.270 nan 0.000 0.469 190 H N 0.224 119.283 119.070 -0.020 0.000 2.490 190 H HA 0.243 4.798 4.556 -0.001 0.000 0.285 190 H C 0.019 175.348 175.328 0.002 0.000 1.127 190 H CA 0.001 56.028 56.048 -0.035 0.000 0.993 190 H CB 0.039 29.775 29.762 -0.044 0.000 1.653 190 H HN 0.181 nan 8.280 nan 0.000 0.557 191 M N -1.551 118.157 119.600 0.180 0.000 2.631 191 M HA 0.473 4.953 4.480 -0.000 0.000 0.288 191 M C -1.056 175.446 176.300 0.335 0.000 1.260 191 M CA -1.067 54.339 55.300 0.176 0.000 0.842 191 M CB 2.688 35.437 32.600 0.249 0.000 1.743 191 M HN -0.179 nan 8.290 nan 0.000 0.461 192 H N -0.155 119.089 119.070 0.290 0.000 2.500 192 H HA 0.806 5.362 4.556 -0.000 0.000 0.351 192 H C -0.293 174.847 175.328 -0.312 0.000 1.281 192 H CA -0.328 55.762 56.048 0.070 0.000 1.368 192 H CB 1.581 31.252 29.762 -0.152 0.000 1.616 192 H HN 0.937 nan 8.280 nan 0.000 0.591 193 G N -0.072 108.237 108.800 -0.818 0.000 2.591 193 G HA2 0.550 4.510 3.960 -0.000 0.000 0.306 193 G HA3 0.550 4.510 3.960 -0.000 0.000 0.306 193 G C -1.664 172.668 174.900 -0.948 0.000 1.334 193 G CA -0.427 43.759 45.100 -1.523 0.000 0.981 193 G HN 0.286 nan 8.290 nan 0.000 0.491 194 F N -0.244 119.565 119.950 -0.236 0.000 2.613 194 F HA 0.549 5.076 4.527 -0.000 0.000 0.310 194 F C 1.121 176.919 175.800 -0.002 0.000 1.085 194 F CA -0.514 57.442 58.000 -0.073 0.000 0.945 194 F CB 2.397 41.316 39.000 -0.135 0.000 1.298 194 F HN 0.585 nan 8.300 nan 0.000 0.455 195 G N -0.222 108.766 108.800 0.313 0.000 2.623 195 G HA2 0.216 4.176 3.960 -0.000 0.000 0.214 195 G HA3 0.216 4.176 3.960 -0.000 0.000 0.214 195 G C 0.851 175.913 174.900 0.270 0.000 1.138 195 G CA 0.815 46.122 45.100 0.344 0.000 0.794 195 G HN 0.700 nan 8.290 nan 0.000 0.535 196 S N -0.761 115.023 115.700 0.139 0.000 1.694 196 S HA -0.243 4.226 4.470 -0.000 0.000 0.236 196 S C 0.884 175.422 174.600 -0.104 0.000 0.821 196 S CA 1.424 59.574 58.200 -0.084 0.000 1.530 196 S CB -1.262 61.787 63.200 -0.252 0.000 1.703 196 S HN 0.673 nan 8.310 nan 0.000 0.517 197 H N 2.022 121.105 119.070 0.022 0.000 2.679 197 H HA 0.321 4.877 4.556 -0.001 0.000 0.369 197 H C 0.434 175.639 175.328 -0.205 0.000 1.178 197 H CA 0.855 56.784 56.048 -0.197 0.000 1.419 197 H CB 0.035 29.466 29.762 -0.553 0.000 1.458 197 H HN 0.366 nan 8.280 nan 0.000 0.605 198 T N 3.257 117.784 114.554 -0.044 0.000 2.780 198 T HA 0.274 4.624 4.350 -0.000 0.000 0.294 198 T C 0.130 174.759 174.700 -0.117 0.000 0.949 198 T CA -0.125 61.998 62.100 0.039 0.000 1.074 198 T CB -0.107 68.864 68.868 0.173 0.000 0.910 198 T HN 0.209 nan 8.240 nan 0.000 0.501 199 F N 1.344 121.406 119.950 0.187 0.000 2.585 199 F HA 0.573 5.100 4.527 -0.000 0.000 0.350 199 F C 0.807 176.616 175.800 0.014 0.000 1.074 199 F CA -1.142 56.962 58.000 0.172 0.000 1.032 199 F CB 1.303 40.517 39.000 0.357 0.000 1.330 199 F HN 0.156 nan 8.300 nan 0.000 0.495 200 K N 0.540 121.042 120.400 0.171 0.000 2.270 200 K HA 0.301 4.621 4.320 -0.000 0.000 0.255 200 K C -1.844 174.873 176.600 0.196 0.000 0.936 200 K CA -0.652 55.576 56.287 -0.099 0.000 0.809 200 K CB 1.400 33.702 32.500 -0.329 0.000 1.131 200 K HN 0.411 nan 8.250 nan 0.000 0.427 201 W N 2.388 123.623 121.300 -0.109 0.000 2.632 201 W HA 0.442 5.102 4.660 -0.000 0.000 0.328 201 W C -0.901 175.636 176.519 0.029 0.000 1.044 201 W CA -0.741 56.590 57.345 -0.022 0.000 1.225 201 W CB 1.715 31.188 29.460 0.021 0.000 1.396 201 W HN 0.069 nan 8.180 nan 0.000 0.499 202 V N 4.481 124.493 119.914 0.163 0.000 2.577 202 V HA 0.287 4.407 4.120 -0.000 0.000 0.303 202 V C -0.004 176.127 176.094 0.062 0.000 1.042 202 V CA -1.060 61.303 62.300 0.105 0.000 0.872 202 V CB 1.397 33.216 31.823 -0.005 0.000 0.998 202 V HN 0.569 nan 8.190 nan 0.000 0.423 203 N N 3.930 122.703 118.700 0.121 0.000 2.418 203 N HA 0.510 5.250 4.740 -0.000 0.000 0.283 203 N C 1.163 176.675 175.510 0.003 0.000 1.267 203 N CA -0.086 52.984 53.050 0.033 0.000 0.975 203 N CB 0.840 39.361 38.487 0.057 0.000 1.167 203 N HN 0.573 nan 8.380 nan 0.000 0.581 204 A N -0.813 121.993 122.820 -0.024 0.000 2.024 204 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 204 A C 1.968 179.549 177.584 -0.006 0.000 1.164 204 A CA 1.883 53.906 52.037 -0.023 0.000 0.643 204 A CB -1.456 17.523 19.000 -0.034 0.000 0.806 204 A HN 0.853 nan 8.150 nan 0.000 0.451 205 A N -2.051 120.773 122.820 0.008 0.000 2.208 205 A HA 0.406 4.726 4.320 -0.000 0.000 0.209 205 A C 1.805 179.401 177.584 0.021 0.000 1.161 205 A CA 1.221 53.267 52.037 0.015 0.000 0.782 205 A CB -0.797 18.216 19.000 0.022 0.000 0.816 205 A HN 1.870 nan 8.150 nan 0.000 0.477 206 G N -0.721 108.093 108.800 0.024 0.000 2.157 206 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.239 206 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.239 206 G C -0.142 174.768 174.900 0.016 0.000 0.982 206 G CA 0.234 45.343 45.100 0.016 0.000 0.650 206 G HN 0.599 nan 8.290 nan 0.000 0.527 207 E N -0.082 120.146 120.200 0.046 0.000 2.360 207 E HA 0.455 4.804 4.350 -0.000 0.000 0.269 207 E C 0.271 176.829 176.600 -0.069 0.000 1.022 207 E CA -0.277 56.119 56.400 -0.006 0.000 0.887 207 E CB 1.668 31.413 29.700 0.075 0.000 0.990 207 E HN 0.147 nan 8.360 nan 0.000 0.426 208 V N 4.294 124.032 119.914 -0.294 0.000 2.547 208 V HA 0.448 4.567 4.120 -0.000 0.000 0.299 208 V C -0.697 175.017 176.094 -0.633 0.000 1.040 208 V CA -0.531 61.569 62.300 -0.334 0.000 0.913 208 V CB 0.586 32.180 31.823 -0.381 0.000 0.992 208 V HN 0.485 nan 8.190 nan 0.000 0.449 209 F N 2.904 122.806 119.950 -0.081 0.000 2.578 209 F HA 0.631 5.158 4.527 -0.000 0.000 0.311 209 F C -0.595 175.055 175.800 -0.252 0.000 1.094 209 F CA -0.716 57.269 58.000 -0.025 0.000 0.923 209 F CB 1.689 40.766 39.000 0.128 0.000 1.230 209 F HN 0.247 nan 8.300 nan 0.000 0.450 210 F N 2.568 122.567 119.950 0.083 0.000 2.420 210 F HA 0.687 5.214 4.527 -0.000 0.000 0.342 210 F C 0.162 175.862 175.800 -0.166 0.000 1.113 210 F CA -0.899 57.084 58.000 -0.028 0.000 1.059 210 F CB 1.556 40.549 39.000 -0.012 0.000 1.128 210 F HN 0.300 nan 8.300 nan 0.000 0.475 211 V N 0.331 120.158 119.914 -0.144 0.000 3.074 211 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 211 V C -1.105 174.853 176.094 -0.228 0.000 1.117 211 V CA -1.075 60.977 62.300 -0.413 0.000 1.014 211 V CB 2.383 33.519 31.823 -1.145 0.000 1.057 211 V HN 0.634 nan 8.190 nan 0.000 0.438 212 K N 1.905 122.156 120.400 -0.249 0.000 2.471 212 K HA 0.511 4.831 4.320 -0.000 0.000 0.252 212 K C -1.912 174.654 176.600 -0.057 0.000 0.938 212 K CA -0.354 55.921 56.287 -0.021 0.000 0.796 212 K CB 2.289 34.846 32.500 0.095 0.000 1.161 212 K HN 0.797 nan 8.250 nan 0.000 0.425 213 Y N 1.775 122.097 120.300 0.037 0.000 2.308 213 Y HA 0.214 4.764 4.550 -0.000 0.000 0.329 213 Y C 0.597 176.401 175.900 -0.160 0.000 1.111 213 Y CA -0.055 58.027 58.100 -0.030 0.000 1.179 213 Y CB 0.971 39.462 38.460 0.052 0.000 1.201 213 Y HN 0.349 nan 8.280 nan 0.000 0.483 214 H N 4.516 123.539 119.070 -0.078 0.000 2.906 214 H HA 0.248 4.804 4.556 -0.001 0.000 0.324 214 H C -1.556 173.553 175.328 -0.366 0.000 0.973 214 H CA -0.766 55.170 56.048 -0.186 0.000 1.321 214 H CB 1.008 30.709 29.762 -0.102 0.000 1.535 214 H HN 0.539 nan 8.280 nan 0.000 0.518 215 F N 3.100 122.887 119.950 -0.272 0.000 2.334 215 F HA 0.264 4.790 4.527 -0.000 0.000 0.367 215 F C 0.715 176.510 175.800 -0.010 0.000 1.115 215 F CA -0.608 57.340 58.000 -0.087 0.000 1.116 215 F CB 0.886 39.718 39.000 -0.280 0.000 1.230 215 F HN 0.129 nan 8.300 nan 0.000 0.484 216 K N 1.891 122.427 120.400 0.227 0.000 2.248 216 K HA 0.192 4.512 4.320 -0.000 0.000 0.281 216 K C 0.311 177.167 176.600 0.426 0.000 1.054 216 K CA -0.506 55.897 56.287 0.194 0.000 0.903 216 K CB 1.525 33.999 32.500 -0.043 0.000 1.077 216 K HN 0.491 nan 8.250 nan 0.000 0.474 217 T N 2.221 117.088 114.554 0.521 0.000 2.867 217 T HA 0.018 4.368 4.350 -0.000 0.000 0.297 217 T C 0.917 175.537 174.700 -0.133 0.000 0.989 217 T CA -0.235 61.768 62.100 -0.162 0.000 1.159 217 T CB 0.127 68.909 68.868 -0.142 0.000 0.928 217 T HN 0.397 nan 8.240 nan 0.000 0.538 218 N N 3.591 122.119 118.700 -0.286 0.000 2.461 218 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 218 N C 1.250 176.673 175.510 -0.144 0.000 1.134 218 N CA 0.414 53.382 53.050 -0.137 0.000 0.878 218 N CB 0.246 38.670 38.487 -0.105 0.000 0.972 218 N HN 0.643 nan 8.380 nan 0.000 0.456 219 Q N -0.190 119.470 119.800 -0.233 0.000 2.384 219 Q HA 0.323 4.663 4.340 -0.000 0.000 0.207 219 Q C 0.587 176.606 176.000 0.031 0.000 0.904 219 Q CA 0.132 55.848 55.803 -0.145 0.000 0.933 219 Q CB 0.564 29.082 28.738 -0.366 0.000 1.077 219 Q HN 0.278 nan 8.270 nan 0.000 0.522 220 G N 0.463 109.275 108.800 0.019 0.000 2.692 220 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 220 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 220 G C -0.837 174.122 174.900 0.098 0.000 1.243 220 G CA -0.965 44.180 45.100 0.076 0.000 0.782 220 G HN 0.051 nan 8.290 nan 0.000 0.625 221 I N 1.545 122.130 120.570 0.025 0.000 2.471 221 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 221 I C 0.787 176.911 176.117 0.012 0.000 1.079 221 I CA 0.539 61.831 61.300 -0.014 0.000 1.398 221 I CB 0.744 38.709 38.000 -0.058 0.000 1.403 221 I HN 0.480 nan 8.210 nan 0.000 0.530 222 K N 6.223 126.631 120.400 0.013 0.000 2.501 222 K HA 0.514 4.834 4.320 -0.000 0.000 0.252 222 K C -1.009 175.588 176.600 -0.005 0.000 0.934 222 K CA -0.917 55.333 56.287 -0.062 0.000 0.797 222 K CB 2.707 35.036 32.500 -0.285 0.000 1.270 222 K HN 0.455 nan 8.250 nan 0.000 0.431 223 N N 1.719 120.422 118.700 0.006 0.000 2.577 223 N HA 0.528 5.267 4.740 -0.000 0.000 0.285 223 N C -1.024 174.510 175.510 0.040 0.000 1.309 223 N CA -0.739 52.338 53.050 0.046 0.000 0.798 223 N CB 1.487 40.005 38.487 0.053 0.000 1.463 223 N HN 0.288 nan 8.380 nan 0.000 0.518 224 L N 0.922 122.181 121.223 0.060 0.000 2.322 224 L HA 0.345 4.685 4.340 -0.000 0.000 0.281 224 L C 0.295 177.178 176.870 0.022 0.000 1.014 224 L CA -0.752 54.108 54.840 0.032 0.000 0.815 224 L CB 1.515 43.590 42.059 0.027 0.000 1.247 224 L HN 0.402 nan 8.230 nan 0.000 0.421 225 E N 0.911 121.113 120.200 0.004 0.000 2.398 225 E HA 0.055 4.405 4.350 -0.000 0.000 0.263 225 E C 0.867 177.471 176.600 0.006 0.000 1.046 225 E CA 0.292 56.696 56.400 0.007 0.000 0.908 225 E CB 1.194 30.892 29.700 -0.003 0.000 0.963 225 E HN 0.516 nan 8.360 nan 0.000 0.431 226 S N 2.124 117.836 115.700 0.019 0.000 2.372 226 S HA -0.285 4.185 4.470 -0.000 0.000 0.227 226 S C 1.652 176.254 174.600 0.003 0.000 1.044 226 S CA 1.565 59.779 58.200 0.023 0.000 1.050 226 S CB -0.156 63.067 63.200 0.039 0.000 0.901 226 S HN 0.549 nan 8.310 nan 0.000 0.447 227 Q N 0.246 120.044 119.800 -0.003 0.000 2.030 227 Q HA -0.067 4.273 4.340 -0.000 0.000 0.204 227 Q C 2.280 178.259 176.000 -0.035 0.000 0.986 227 Q CA 1.160 56.955 55.803 -0.014 0.000 0.843 227 Q CB -0.270 28.461 28.738 -0.012 0.000 0.904 227 Q HN 0.460 nan 8.270 nan 0.000 0.420 228 L N -0.041 121.155 121.223 -0.045 0.000 2.042 228 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 228 L C 2.311 179.111 176.870 -0.117 0.000 1.076 228 L CA 1.303 56.095 54.840 -0.080 0.000 0.749 228 L CB -0.522 41.489 42.059 -0.081 0.000 0.893 228 L HN 0.283 nan 8.230 nan 0.000 0.432 229 A N -0.497 122.267 122.820 -0.093 0.000 1.908 229 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 229 A C 2.177 179.701 177.584 -0.100 0.000 1.181 229 A CA 2.033 54.005 52.037 -0.109 0.000 0.627 229 A CB -0.580 18.396 19.000 -0.040 0.000 0.818 229 A HN 0.575 nan 8.150 nan 0.000 0.445 230 E N -0.539 119.625 120.200 -0.060 0.000 2.106 230 E HA -0.226 4.123 4.350 -0.000 0.000 0.192 230 E C 2.042 178.604 176.600 -0.063 0.000 0.984 230 E CA 1.204 57.577 56.400 -0.045 0.000 0.806 230 E CB -0.138 29.549 29.700 -0.021 0.000 0.750 230 E HN 0.764 nan 8.360 nan 0.000 0.458 231 E N 0.355 120.510 120.200 -0.075 0.000 2.051 231 E HA -0.192 4.157 4.350 -0.000 0.000 0.192 231 E C 2.137 178.670 176.600 -0.111 0.000 0.991 231 E CA 1.269 57.621 56.400 -0.079 0.000 0.799 231 E CB -0.077 29.575 29.700 -0.079 0.000 0.748 231 E HN 0.342 nan 8.360 nan 0.000 0.449 232 I N 0.877 121.340 120.570 -0.180 0.000 2.361 232 I HA -0.222 3.947 4.170 -0.000 0.000 0.251 232 I C 2.498 178.512 176.117 -0.171 0.000 1.133 232 I CA 0.761 61.907 61.300 -0.256 0.000 1.413 232 I CB -0.313 37.368 38.000 -0.532 0.000 1.073 232 I HN 0.161 nan 8.210 nan 0.000 0.424 233 A N 0.839 123.581 122.820 -0.131 0.000 2.024 233 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 233 A C 2.355 179.910 177.584 -0.048 0.000 1.164 233 A CA 1.968 53.958 52.037 -0.078 0.000 0.643 233 A CB -1.031 17.936 19.000 -0.055 0.000 0.806 233 A HN 0.479 nan 8.150 nan 0.000 0.451 234 G N -0.812 107.959 108.800 -0.049 0.000 2.486 234 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.210 234 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.210 234 G C 1.612 176.496 174.900 -0.025 0.000 1.168 234 G CA 0.575 45.657 45.100 -0.030 0.000 0.820 234 G HN 0.493 nan 8.290 nan 0.000 0.544 235 K N -0.267 120.110 120.400 -0.038 0.000 2.148 235 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 235 K C 0.316 176.914 176.600 -0.003 0.000 1.050 235 K CA 0.884 57.157 56.287 -0.024 0.000 0.942 235 K CB 0.096 32.574 32.500 -0.036 0.000 0.724 235 K HN 0.230 nan 8.250 nan 0.000 0.446 236 N N -0.657 118.039 118.700 -0.007 0.000 2.732 236 N HA 0.089 4.829 4.740 -0.000 0.000 0.247 236 N C -2.538 172.998 175.510 0.043 0.000 1.305 236 N CA -1.576 51.500 53.050 0.044 0.000 0.762 236 N CB 1.280 39.843 38.487 0.126 0.000 1.361 236 N HN -0.222 nan 8.380 nan 0.000 0.545 237 P HA 0.030 nan 4.420 nan 0.000 0.228 237 P C -0.467 176.858 177.300 0.042 0.000 1.151 237 P CA 0.961 64.073 63.100 0.019 0.000 0.770 237 P CB 0.452 32.161 31.700 0.015 0.000 0.786 238 D N -1.395 119.044 120.400 0.064 0.000 2.559 238 D HA 0.098 4.738 4.640 -0.000 0.000 0.234 238 D C 1.101 177.455 176.300 0.091 0.000 1.226 238 D CA -0.607 53.435 54.000 0.070 0.000 0.830 238 D CB -0.654 40.170 40.800 0.040 0.000 1.028 238 D HN 0.075 nan 8.370 nan 0.000 0.492 239 F N 1.325 121.227 119.950 -0.079 0.000 2.091 239 F HA -0.288 4.239 4.527 -0.001 0.000 0.299 239 F C 2.035 177.819 175.800 -0.026 0.000 1.103 239 F CA 1.983 59.933 58.000 -0.084 0.000 1.228 239 F CB 0.071 38.968 39.000 -0.172 0.000 0.984 239 F HN 0.169 nan 8.300 nan 0.000 0.477 240 H N -0.591 118.404 119.070 -0.125 0.000 2.395 240 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 240 H C 2.309 177.510 175.328 -0.213 0.000 1.070 240 H CA 1.243 57.033 56.048 -0.430 0.000 1.356 240 H CB -0.010 29.216 29.762 -0.893 0.000 1.401 240 H HN 0.300 nan 8.280 nan 0.000 0.524 241 I N 0.677 121.337 120.570 0.149 0.000 2.202 241 I HA -0.226 3.943 4.170 -0.000 0.000 0.242 241 I C 2.582 178.795 176.117 0.161 0.000 1.091 241 I CA 1.295 62.746 61.300 0.251 0.000 1.368 241 I CB -0.175 37.953 38.000 0.214 0.000 1.058 241 I HN 0.342 nan 8.210 nan 0.000 0.410 242 E N 1.093 121.329 120.200 0.060 0.000 2.077 242 E HA -0.309 4.041 4.350 -0.000 0.000 0.193 242 E C 1.959 178.575 176.600 0.026 0.000 0.989 242 E CA 1.584 58.009 56.400 0.040 0.000 0.800 242 E CB -0.100 29.595 29.700 -0.008 0.000 0.746 242 E HN 0.426 nan 8.360 nan 0.000 0.452 243 D N 0.622 120.957 120.400 -0.107 0.000 2.104 243 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 243 D C 2.165 178.468 176.300 0.006 0.000 0.994 243 D CA 0.890 54.810 54.000 -0.133 0.000 0.830 243 D CB -0.168 40.452 40.800 -0.301 0.000 0.959 243 D HN 0.299 nan 8.370 nan 0.000 0.452 244 L N 0.419 121.695 121.223 0.087 0.000 2.046 244 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 244 L C 2.680 179.653 176.870 0.171 0.000 1.077 244 L CA 1.404 56.344 54.840 0.168 0.000 0.747 244 L CB -0.694 41.551 42.059 0.310 0.000 0.896 244 L HN 0.284 nan 8.230 nan 0.000 0.432 245 H N 0.279 119.419 119.070 0.118 0.000 2.326 245 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 245 H C 1.885 177.268 175.328 0.092 0.000 1.081 245 H CA 1.834 57.951 56.048 0.116 0.000 1.334 245 H CB 0.178 30.006 29.762 0.110 0.000 1.385 245 H HN 0.386 nan 8.280 nan 0.000 0.504 246 N N 0.876 119.663 118.700 0.145 0.000 2.120 246 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 246 N C 2.113 177.630 175.510 0.012 0.000 1.024 246 N CA 1.285 54.381 53.050 0.076 0.000 0.852 246 N CB -0.643 37.888 38.487 0.073 0.000 1.003 246 N HN 0.423 nan 8.380 nan 0.000 0.424 247 A N 1.328 124.162 122.820 0.022 0.000 1.883 247 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 247 A C 2.325 179.936 177.584 0.044 0.000 1.186 247 A CA 1.082 53.130 52.037 0.019 0.000 0.624 247 A CB -0.697 18.320 19.000 0.027 0.000 0.822 247 A HN 0.238 nan 8.150 nan 0.000 0.444 248 I N -1.148 119.471 120.570 0.082 0.000 2.353 248 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 248 I C 2.448 178.643 176.117 0.130 0.000 1.119 248 I CA 1.393 62.812 61.300 0.199 0.000 1.417 248 I CB -0.245 37.838 38.000 0.139 0.000 1.078 248 I HN 0.271 nan 8.210 nan 0.000 0.421 249 E N 1.092 121.264 120.200 -0.046 0.000 2.152 249 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 249 E C 1.463 178.059 176.600 -0.008 0.000 0.983 249 E CA 0.885 57.257 56.400 -0.047 0.000 0.818 249 E CB -0.060 29.572 29.700 -0.114 0.000 0.758 249 E HN 0.312 nan 8.360 nan 0.000 0.467 250 N N 0.476 119.160 118.700 -0.027 0.000 2.398 250 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 250 N C -0.400 175.024 175.510 -0.143 0.000 1.122 250 N CA 0.225 53.241 53.050 -0.057 0.000 0.866 250 N CB 0.374 38.833 38.487 -0.045 0.000 0.970 250 N HN 0.146 nan 8.380 nan 0.000 0.462 251 Q N -0.492 119.182 119.800 -0.209 0.000 2.503 251 Q HA -0.195 4.145 4.340 -0.000 0.000 0.267 251 Q C -0.924 174.597 176.000 -0.799 0.000 1.030 251 Q CA 0.617 56.014 55.803 -0.676 0.000 1.041 251 Q CB -1.684 26.756 28.738 -0.497 0.000 1.406 251 Q HN 0.457 nan 8.270 nan 0.000 0.524 252 E N 0.411 120.380 120.200 -0.385 0.000 2.427 252 E HA 0.142 4.491 4.350 -0.000 0.000 0.259 252 E C -0.653 175.910 176.600 -0.061 0.000 1.267 252 E CA -0.334 55.931 56.400 -0.226 0.000 1.425 252 E CB 0.068 29.704 29.700 -0.106 0.000 1.482 252 E HN 0.221 nan 8.360 nan 0.000 0.460 253 F N 3.664 123.609 119.950 -0.009 0.000 2.571 253 F HA 0.025 4.552 4.527 -0.001 0.000 0.390 253 F C -1.296 174.491 175.800 -0.021 0.000 1.043 253 F CA -1.817 56.188 58.000 0.008 0.000 1.164 253 F CB 0.001 39.019 39.000 0.031 0.000 1.049 253 F HN 0.134 nan 8.300 nan 0.000 0.552 254 P HA 0.150 nan 4.420 nan 0.000 0.278 254 P C -0.915 176.363 177.300 -0.037 0.000 1.238 254 P CA -0.311 62.736 63.100 -0.087 0.000 0.794 254 P CB 1.766 33.381 31.700 -0.143 0.000 0.955 255 S N 1.502 117.042 115.700 -0.267 0.000 2.627 255 S HA 0.731 5.201 4.470 -0.000 0.000 0.283 255 S C -1.454 173.056 174.600 -0.151 0.000 1.127 255 S CA -0.772 57.447 58.200 0.032 0.000 0.863 255 S CB 1.701 64.961 63.200 0.101 0.000 1.121 255 S HN 0.541 nan 8.310 nan 0.000 0.479 256 W N 0.439 121.894 121.300 0.259 0.000 3.022 256 W HA 0.412 5.071 4.660 -0.001 0.000 0.335 256 W C -1.041 175.663 176.519 0.308 0.000 1.133 256 W CA -0.668 56.869 57.345 0.320 0.000 1.219 256 W CB 2.526 32.285 29.460 0.497 0.000 1.409 256 W HN 0.600 nan 8.180 nan 0.000 0.507 257 T N 3.784 118.584 114.554 0.409 0.000 2.744 257 T HA 0.291 4.641 4.350 -0.000 0.000 0.291 257 T C -0.478 174.368 174.700 0.243 0.000 0.957 257 T CA -0.424 61.840 62.100 0.273 0.000 1.002 257 T CB 0.857 69.813 68.868 0.146 0.000 0.919 257 T HN 0.190 nan 8.240 nan 0.000 0.468 258 L N 4.653 126.021 121.223 0.242 0.000 2.275 258 L HA 0.685 5.024 4.340 -0.000 0.000 0.288 258 L C -0.147 176.737 176.870 0.023 0.000 1.046 258 L CA 0.163 54.998 54.840 -0.008 0.000 0.805 258 L CB 0.755 42.798 42.059 -0.026 0.000 1.193 258 L HN 0.696 nan 8.230 nan 0.000 0.426 259 S N 4.011 119.677 115.700 -0.058 0.000 2.564 259 S HA 0.886 5.356 4.470 -0.000 0.000 0.274 259 S C -0.614 173.936 174.600 -0.082 0.000 1.124 259 S CA -0.454 57.719 58.200 -0.045 0.000 0.869 259 S CB 1.483 64.650 63.200 -0.055 0.000 1.105 259 S HN 0.871 nan 8.310 nan 0.000 0.472 260 V N -1.040 118.788 119.914 -0.144 0.000 3.046 260 V HA 0.675 4.795 4.120 -0.000 0.000 0.316 260 V C -0.954 175.000 176.094 -0.234 0.000 1.104 260 V CA -0.979 61.174 62.300 -0.244 0.000 1.006 260 V CB 1.478 32.964 31.823 -0.563 0.000 1.058 260 V HN 0.958 nan 8.190 nan 0.000 0.440 261 Q N 1.565 121.241 119.800 -0.207 0.000 2.307 261 Q HA 0.671 5.011 4.340 -0.000 0.000 0.262 261 Q C -1.189 174.654 176.000 -0.261 0.000 0.961 261 Q CA -0.427 55.285 55.803 -0.153 0.000 0.882 261 Q CB 2.218 30.933 28.738 -0.039 0.000 1.264 261 Q HN 0.744 nan 8.270 nan 0.000 0.446 262 I N 4.134 124.569 120.570 -0.225 0.000 2.382 262 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 262 I C -0.846 175.223 176.117 -0.080 0.000 1.002 262 I CA -0.758 60.389 61.300 -0.255 0.000 1.135 262 I CB 1.238 38.953 38.000 -0.475 0.000 1.288 262 I HN 0.452 nan 8.210 nan 0.000 0.448 263 I N 8.663 129.185 120.570 -0.080 0.000 2.382 263 I HA 0.370 4.540 4.170 -0.000 0.000 0.285 263 I C -2.365 173.877 176.117 0.209 0.000 1.007 263 I CA -1.893 59.343 61.300 -0.106 0.000 1.142 263 I CB 1.327 39.094 38.000 -0.388 0.000 1.289 263 I HN 0.248 nan 8.210 nan 0.000 0.453 264 P HA -0.019 nan 4.420 nan 0.000 0.269 264 P C 0.769 178.198 177.300 0.216 0.000 1.209 264 P CA 0.085 63.308 63.100 0.205 0.000 0.776 264 P CB 0.495 32.318 31.700 0.206 0.000 0.876 265 Y N 3.200 123.494 120.300 -0.011 0.000 2.062 265 Y HA -0.395 4.154 4.550 -0.000 0.000 0.276 265 Y C 2.147 178.102 175.900 0.092 0.000 1.189 265 Y CA 1.691 59.875 58.100 0.140 0.000 1.130 265 Y CB -0.460 38.005 38.460 0.008 0.000 0.959 265 Y HN 0.419 nan 8.280 nan 0.000 0.499 266 A N 0.204 122.993 122.820 -0.052 0.000 1.917 266 A HA -0.283 4.036 4.320 -0.000 0.000 0.219 266 A C 1.638 179.194 177.584 -0.047 0.000 1.182 266 A CA 2.294 54.234 52.037 -0.161 0.000 0.633 266 A CB -0.961 17.971 19.000 -0.112 0.000 0.819 266 A HN 0.642 nan 8.150 nan 0.000 0.448 267 D N -0.322 120.102 120.400 0.039 0.000 2.097 267 D HA 0.037 4.677 4.640 -0.000 0.000 0.197 267 D C 2.264 178.556 176.300 -0.013 0.000 0.984 267 D CA 1.526 55.560 54.000 0.057 0.000 0.826 267 D CB -0.318 40.571 40.800 0.149 0.000 0.973 267 D HN 0.420 nan 8.370 nan 0.000 0.460 268 A N 0.516 123.323 122.820 -0.022 0.000 1.940 268 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 268 A C 2.181 179.646 177.584 -0.199 0.000 1.176 268 A CA 0.952 52.869 52.037 -0.200 0.000 0.631 268 A CB -0.890 17.911 19.000 -0.332 0.000 0.814 268 A HN 0.253 nan 8.150 nan 0.000 0.446 269 L N -0.036 121.150 121.223 -0.063 0.000 2.197 269 L HA -0.224 4.115 4.340 -0.000 0.000 0.215 269 L C 2.760 179.576 176.870 -0.091 0.000 1.095 269 L CA 1.864 56.672 54.840 -0.054 0.000 0.764 269 L CB -0.813 41.199 42.059 -0.080 0.000 0.897 269 L HN 0.713 nan 8.230 nan 0.000 0.436 270 T N -4.275 110.219 114.554 -0.099 0.000 3.051 270 T HA 0.055 4.405 4.350 -0.000 0.000 0.255 270 T C 1.181 175.805 174.700 -0.127 0.000 1.085 270 T CA 0.163 62.210 62.100 -0.088 0.000 1.109 270 T CB 0.007 68.843 68.868 -0.053 0.000 0.921 270 T HN 0.271 nan 8.240 nan 0.000 0.488 271 M N 0.391 119.872 119.600 -0.199 0.000 2.771 271 M HA 0.461 4.941 4.480 -0.000 0.000 0.341 271 M C 1.199 177.243 176.300 -0.427 0.000 1.226 271 M CA -0.412 54.736 55.300 -0.254 0.000 0.955 271 M CB 0.376 32.838 32.600 -0.229 0.000 1.318 271 M HN -0.039 nan 8.290 nan 0.000 0.514 272 K N 1.514 121.642 120.400 -0.453 0.000 2.063 272 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 272 K C 1.330 177.632 176.600 -0.497 0.000 1.048 272 K CA 1.596 57.472 56.287 -0.686 0.000 0.928 272 K CB -0.070 32.226 32.500 -0.341 0.000 0.713 272 K HN 0.543 nan 8.250 nan 0.000 0.442 273 E N -0.175 119.870 120.200 -0.258 0.000 2.268 273 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 273 E C 1.524 177.973 176.600 -0.251 0.000 0.995 273 E CA 1.114 57.408 56.400 -0.177 0.000 0.836 273 E CB 0.101 29.742 29.700 -0.098 0.000 0.763 273 E HN 0.286 nan 8.360 nan 0.000 0.491 274 T N 0.489 114.878 114.554 -0.276 0.000 3.004 274 T HA 0.013 4.363 4.350 -0.000 0.000 0.243 274 T C 1.657 176.197 174.700 -0.266 0.000 1.020 274 T CA -0.101 61.859 62.100 -0.233 0.000 1.145 274 T CB -0.038 68.726 68.868 -0.173 0.000 0.876 274 T HN -0.036 nan 8.240 nan 0.000 0.449 275 L N 1.062 122.041 121.223 -0.406 0.000 2.042 275 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 275 L C 1.231 178.002 176.870 -0.164 0.000 1.076 275 L CA 1.780 56.367 54.840 -0.421 0.000 0.749 275 L CB -0.681 40.895 42.059 -0.805 0.000 0.893 275 L HN 0.248 nan 8.230 nan 0.000 0.432 276 F N -1.688 118.157 119.950 -0.175 0.000 2.660 276 F HA 0.250 4.777 4.527 -0.000 0.000 0.302 276 F C 0.663 176.356 175.800 -0.179 0.000 1.103 276 F CA -1.151 56.781 58.000 -0.113 0.000 1.340 276 F CB -0.770 38.220 39.000 -0.017 0.000 1.048 276 F HN -0.011 nan 8.300 nan 0.000 0.551 277 D N 0.716 121.013 120.400 -0.172 0.000 2.427 277 D HA 0.084 4.724 4.640 -0.000 0.000 0.226 277 D C 0.955 177.191 176.300 -0.106 0.000 1.076 277 D CA 0.074 53.869 54.000 -0.341 0.000 0.849 277 D CB 1.840 42.351 40.800 -0.481 0.000 1.052 277 D HN 0.007 nan 8.370 nan 0.000 0.515 278 V N 3.920 123.838 119.914 0.006 0.000 3.383 278 V HA -0.130 3.990 4.120 -0.000 0.000 0.272 278 V C 1.850 177.944 176.094 -0.000 0.000 1.181 278 V CA 2.273 64.595 62.300 0.036 0.000 1.171 278 V CB -0.543 31.353 31.823 0.123 0.000 0.800 278 V HN 0.752 nan 8.190 nan 0.000 0.515 279 T N -2.881 111.668 114.554 -0.008 0.000 3.144 279 T HA 0.219 4.569 4.350 -0.000 0.000 0.249 279 T C 0.513 175.246 174.700 0.056 0.000 1.089 279 T CA -0.089 62.005 62.100 -0.009 0.000 0.989 279 T CB -0.057 68.814 68.868 0.006 0.000 0.992 279 T HN 0.450 nan 8.240 nan 0.000 0.540 280 K N 1.619 122.026 120.400 0.011 0.000 2.385 280 K HA 0.549 4.869 4.320 -0.000 0.000 0.248 280 K C -0.544 176.064 176.600 0.013 0.000 0.955 280 K CA -0.829 55.485 56.287 0.046 0.000 0.816 280 K CB 2.138 34.620 32.500 -0.031 0.000 1.250 280 K HN 0.265 nan 8.250 nan 0.000 0.434 281 T N -2.253 112.336 114.554 0.059 0.000 2.945 281 T HA 0.476 4.826 4.350 -0.000 0.000 0.286 281 T C -0.066 174.653 174.700 0.032 0.000 1.025 281 T CA -0.819 61.303 62.100 0.036 0.000 1.039 281 T CB 1.333 70.243 68.868 0.069 0.000 1.068 281 T HN 0.151 nan 8.240 nan 0.000 0.497 282 V N 2.284 122.224 119.914 0.043 0.000 2.439 282 V HA 0.422 4.542 4.120 -0.000 0.000 0.282 282 V C 0.921 177.072 176.094 0.094 0.000 1.039 282 V CA -0.720 61.609 62.300 0.049 0.000 0.913 282 V CB 1.374 33.206 31.823 0.015 0.000 0.983 282 V HN 1.161 nan 8.190 nan 0.000 0.460 283 S N 3.416 119.176 115.700 0.099 0.000 2.563 283 S HA -0.040 4.430 4.470 -0.000 0.000 0.294 283 S C 0.975 175.629 174.600 0.090 0.000 1.279 283 S CA 0.200 58.449 58.200 0.081 0.000 1.069 283 S CB 0.435 63.669 63.200 0.056 0.000 0.828 283 S HN 0.817 nan 8.310 nan 0.000 0.497 284 Q N 2.869 122.697 119.800 0.046 0.000 2.451 284 Q HA 0.090 4.430 4.340 -0.000 0.000 0.206 284 Q C 1.749 177.741 176.000 -0.013 0.000 0.947 284 Q CA 0.613 56.424 55.803 0.013 0.000 0.937 284 Q CB 0.180 28.909 28.738 -0.015 0.000 1.025 284 Q HN 0.669 nan 8.270 nan 0.000 0.511 285 K N 0.155 120.543 120.400 -0.021 0.000 2.098 285 K HA -0.054 4.265 4.320 -0.000 0.000 0.203 285 K C 1.592 178.126 176.600 -0.109 0.000 1.051 285 K CA 0.799 57.054 56.287 -0.052 0.000 0.957 285 K CB 0.264 32.739 32.500 -0.042 0.000 0.738 285 K HN 0.154 nan 8.250 nan 0.000 0.447 286 E N -0.365 119.751 120.200 -0.139 0.000 2.072 286 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 286 E C -0.227 175.993 176.600 -0.634 0.000 0.985 286 E CA 1.049 57.229 56.400 -0.368 0.000 0.801 286 E CB 0.186 29.691 29.700 -0.325 0.000 0.750 286 E HN 0.208 nan 8.360 nan 0.000 0.452 287 Y N 0.541 120.819 120.300 -0.036 0.000 2.749 287 Y HA 0.251 4.801 4.550 -0.001 0.000 0.343 287 Y C -2.280 173.575 175.900 -0.076 0.000 1.015 287 Y CA -2.929 55.141 58.100 -0.050 0.000 1.270 287 Y CB 0.901 39.334 38.460 -0.045 0.000 1.097 287 Y HN -0.006 nan 8.280 nan 0.000 0.571 288 P HA 0.047 nan 4.420 nan 0.000 0.270 288 P C -0.148 177.107 177.300 -0.074 0.000 1.223 288 P CA -0.131 62.943 63.100 -0.044 0.000 0.785 288 P CB 1.601 33.272 31.700 -0.049 0.000 0.923 289 L N 1.909 123.058 121.223 -0.123 0.000 2.453 289 L HA 0.238 4.578 4.340 -0.000 0.000 0.272 289 L C 0.741 177.548 176.870 -0.104 0.000 1.182 289 L CA 0.033 54.776 54.840 -0.161 0.000 0.858 289 L CB -0.257 41.682 42.059 -0.200 0.000 1.120 289 L HN 0.255 nan 8.230 nan 0.000 0.474 290 I N 2.859 123.364 120.570 -0.109 0.000 2.382 290 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 290 I C 0.234 176.324 176.117 -0.046 0.000 1.002 290 I CA -0.504 60.751 61.300 -0.075 0.000 1.135 290 I CB 1.816 39.750 38.000 -0.110 0.000 1.288 290 I HN 0.639 nan 8.210 nan 0.000 0.448 291 E N 4.320 124.513 120.200 -0.012 0.000 2.414 291 E HA 0.102 4.452 4.350 -0.000 0.000 0.263 291 E C -0.024 176.610 176.600 0.057 0.000 1.000 291 E CA -0.017 56.395 56.400 0.021 0.000 0.914 291 E CB 1.257 30.972 29.700 0.025 0.000 0.948 291 E HN 0.481 nan 8.360 nan 0.000 0.444 292 V N 3.061 123.041 119.914 0.109 0.000 2.911 292 V HA 0.369 4.489 4.120 -0.000 0.000 0.237 292 V C 0.792 177.013 176.094 0.212 0.000 1.156 292 V CA 0.770 63.180 62.300 0.183 0.000 1.180 292 V CB 0.690 32.673 31.823 0.268 0.000 0.932 292 V HN 0.830 nan 8.190 nan 0.000 0.483 293 G N -0.810 108.131 108.800 0.235 0.000 2.341 293 G HA2 0.468 4.428 3.960 -0.000 0.000 0.299 293 G HA3 0.468 4.428 3.960 -0.000 0.000 0.299 293 G C -1.443 173.423 174.900 -0.056 0.000 1.274 293 G CA -0.037 45.030 45.100 -0.054 0.000 0.853 293 G HN -0.069 nan 8.290 nan 0.000 0.493 294 T N 0.964 115.310 114.554 -0.347 0.000 2.841 294 T HA 0.597 4.947 4.350 -0.000 0.000 0.283 294 T C -0.200 174.543 174.700 0.073 0.000 1.000 294 T CA -0.329 61.766 62.100 -0.008 0.000 0.977 294 T CB 1.468 70.350 68.868 0.023 0.000 0.979 294 T HN 0.676 nan 8.240 nan 0.000 0.446 295 M N 3.066 122.959 119.600 0.489 0.000 2.180 295 M HA 0.552 5.032 4.480 -0.000 0.000 0.350 295 M C -1.234 175.343 176.300 0.462 0.000 1.125 295 M CA -0.074 55.583 55.300 0.594 0.000 1.031 295 M CB 0.838 33.894 32.600 0.760 0.000 1.623 295 M HN 0.497 nan 8.290 nan 0.000 0.451 296 T N 5.432 120.175 114.554 0.314 0.000 2.881 296 T HA 0.535 4.885 4.350 -0.000 0.000 0.290 296 T C -1.124 173.671 174.700 0.158 0.000 1.000 296 T CA -0.594 61.655 62.100 0.247 0.000 0.978 296 T CB 1.423 70.383 68.868 0.154 0.000 0.997 296 T HN 0.488 nan 8.240 nan 0.000 0.443 297 L N 4.633 125.965 121.223 0.182 0.000 2.265 297 L HA 0.464 4.803 4.340 -0.000 0.000 0.289 297 L C 0.731 177.535 176.870 -0.111 0.000 1.033 297 L CA -0.409 54.474 54.840 0.070 0.000 0.814 297 L CB 0.614 42.784 42.059 0.184 0.000 1.203 297 L HN 0.769 nan 8.230 nan 0.000 0.423 298 N N 1.914 120.416 118.700 -0.330 0.000 2.184 298 N HA 0.184 4.924 4.740 -0.000 0.000 0.234 298 N C -0.024 175.197 175.510 -0.482 0.000 1.282 298 N CA -0.432 52.055 53.050 -0.939 0.000 0.877 298 N CB 0.611 38.309 38.487 -1.315 0.000 1.184 298 N HN 0.440 nan 8.380 nan 0.000 0.510 299 R N 0.141 120.562 120.500 -0.132 0.000 2.515 299 R HA 0.316 4.656 4.340 -0.000 0.000 0.278 299 R C -1.505 174.875 176.300 0.133 0.000 1.107 299 R CA -0.469 55.636 56.100 0.010 0.000 0.945 299 R CB 1.052 31.360 30.300 0.014 0.000 1.219 299 R HN 0.147 nan 8.270 nan 0.000 0.434 300 N N 3.496 122.269 118.700 0.123 0.000 2.467 300 N HA 0.247 4.987 4.740 -0.000 0.000 0.262 300 N C -2.416 173.261 175.510 0.279 0.000 1.234 300 N CA -1.210 51.950 53.050 0.184 0.000 0.952 300 N CB 0.722 39.289 38.487 0.134 0.000 1.158 300 N HN 0.304 nan 8.380 nan 0.000 0.463 301 P HA 0.003 nan 4.420 nan 0.000 0.269 301 P C -0.031 177.402 177.300 0.223 0.000 1.215 301 P CA 0.039 63.319 63.100 0.301 0.000 0.780 301 P CB 0.722 32.573 31.700 0.251 0.000 0.898 302 E N 0.299 120.596 120.200 0.162 0.000 2.112 302 E HA -0.051 4.298 4.350 -0.000 0.000 0.190 302 E C 0.491 177.161 176.600 0.117 0.000 0.979 302 E CA 0.730 57.193 56.400 0.106 0.000 0.814 302 E CB 0.192 29.920 29.700 0.046 0.000 0.762 302 E HN 0.389 nan 8.360 nan 0.000 0.460 303 N N -1.099 117.675 118.700 0.123 0.000 2.425 303 N HA -0.033 4.707 4.740 -0.000 0.000 0.289 303 N C -0.399 175.221 175.510 0.183 0.000 1.074 303 N CA -0.160 52.982 53.050 0.153 0.000 0.905 303 N CB 1.011 39.573 38.487 0.125 0.000 1.586 303 N HN -0.051 nan 8.380 nan 0.000 0.490 304 Y N 4.257 124.631 120.300 0.123 0.000 2.097 304 Y HA -0.213 4.336 4.550 -0.000 0.000 0.282 304 Y C 1.813 177.780 175.900 0.112 0.000 1.152 304 Y CA 1.924 60.097 58.100 0.123 0.000 1.136 304 Y CB -0.182 38.353 38.460 0.125 0.000 0.975 304 Y HN 0.669 nan 8.280 nan 0.000 0.498 305 F N 0.433 120.502 119.950 0.199 0.000 2.102 305 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 305 F C 2.369 178.138 175.800 -0.053 0.000 1.105 305 F CA 1.849 59.899 58.000 0.084 0.000 1.239 305 F CB -0.868 38.199 39.000 0.112 0.000 0.991 305 F HN 0.091 nan 8.300 nan 0.000 0.474 306 A N -0.480 122.408 122.820 0.112 0.000 1.933 306 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 306 A C 2.045 179.490 177.584 -0.231 0.000 1.175 306 A CA 2.106 54.120 52.037 -0.039 0.000 0.628 306 A CB -0.616 18.406 19.000 0.036 0.000 0.814 306 A HN 0.605 nan 8.150 nan 0.000 0.444 307 E N -1.174 118.880 120.200 -0.244 0.000 2.134 307 E HA 0.043 4.392 4.350 -0.000 0.000 0.194 307 E C 1.964 178.322 176.600 -0.403 0.000 0.937 307 E CA 0.671 56.841 56.400 -0.383 0.000 0.874 307 E CB -0.034 29.476 29.700 -0.316 0.000 0.853 307 E HN 0.282 nan 8.360 nan 0.000 0.471 308 V N 1.576 121.271 119.914 -0.364 0.000 2.379 308 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 308 V C 2.267 178.089 176.094 -0.454 0.000 1.044 308 V CA 1.922 63.981 62.300 -0.401 0.000 1.036 308 V CB -0.295 30.992 31.823 -0.892 0.000 0.664 308 V HN 0.167 nan 8.190 nan 0.000 0.453 309 E N 0.377 120.231 120.200 -0.577 0.000 2.112 309 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 309 E C 2.178 178.505 176.600 -0.455 0.000 0.979 309 E CA 1.258 57.389 56.400 -0.447 0.000 0.814 309 E CB -0.144 29.257 29.700 -0.498 0.000 0.762 309 E HN 0.635 nan 8.360 nan 0.000 0.460 310 Q N -0.378 119.098 119.800 -0.540 0.000 2.425 310 Q HA 0.132 4.471 4.340 -0.000 0.000 0.204 310 Q C 0.138 175.896 176.000 -0.403 0.000 0.933 310 Q CA -0.096 55.432 55.803 -0.458 0.000 0.939 310 Q CB 0.822 29.285 28.738 -0.459 0.000 1.044 310 Q HN 0.141 nan 8.270 nan 0.000 0.513 311 V N 2.170 121.834 119.914 -0.416 0.000 2.763 311 V HA 0.035 4.155 4.120 -0.000 0.000 0.306 311 V C -0.014 175.735 176.094 -0.575 0.000 1.059 311 V CA 0.586 62.572 62.300 -0.523 0.000 1.138 311 V CB 1.182 32.691 31.823 -0.524 0.000 0.940 311 V HN 0.343 nan 8.190 nan 0.000 0.489 312 T N 4.707 118.814 114.554 -0.745 0.000 2.815 312 T HA 0.653 5.003 4.350 -0.000 0.000 0.289 312 T C -0.933 173.312 174.700 -0.759 0.000 1.000 312 T CA -0.420 61.156 62.100 -0.872 0.000 0.958 312 T CB 0.725 68.887 68.868 -1.177 0.000 0.944 312 T HN 0.358 nan 8.240 nan 0.000 0.442 313 F N 1.478 121.324 119.950 -0.173 0.000 2.507 313 F HA 0.768 5.295 4.527 -0.000 0.000 0.327 313 F C 0.785 176.652 175.800 0.112 0.000 1.068 313 F CA -0.797 57.149 58.000 -0.090 0.000 0.965 313 F CB 2.380 41.280 39.000 -0.166 0.000 1.192 313 F HN 0.680 nan 8.300 nan 0.000 0.476 314 S N 1.988 117.718 115.700 0.049 0.000 2.603 314 S HA 0.395 4.865 4.470 -0.000 0.000 0.274 314 S C -2.444 171.881 174.600 -0.459 0.000 1.168 314 S CA -1.289 56.777 58.200 -0.223 0.000 0.963 314 S CB 1.709 64.880 63.200 -0.049 0.000 1.078 314 S HN 0.243 nan 8.310 nan 0.000 0.477 315 P HA 0.079 nan 4.420 nan 0.000 0.225 315 P C 1.217 178.091 177.300 -0.711 0.000 1.148 315 P CA 0.860 63.629 63.100 -0.551 0.000 0.779 315 P CB 0.006 31.465 31.700 -0.402 0.000 0.780 316 G N -1.235 107.234 108.800 -0.552 0.000 2.985 316 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.209 316 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.209 316 G C 0.485 175.081 174.900 -0.505 0.000 1.165 316 G CA -0.158 44.632 45.100 -0.516 0.000 0.776 316 G HN 0.310 nan 8.290 nan 0.000 0.541 317 N N 0.800 119.211 118.700 -0.482 0.000 2.968 317 N HA 0.317 5.057 4.740 -0.000 0.000 0.271 317 N C -0.805 174.600 175.510 -0.176 0.000 1.174 317 N CA -0.425 52.477 53.050 -0.247 0.000 1.096 317 N CB 0.209 38.582 38.487 -0.191 0.000 1.403 317 N HN 0.126 nan 8.380 nan 0.000 0.522 318 F N 0.418 120.441 119.950 0.122 0.000 2.380 318 F HA 0.472 4.998 4.527 -0.000 0.000 0.319 318 F C 0.924 176.780 175.800 0.093 0.000 1.113 318 F CA -1.010 57.095 58.000 0.176 0.000 1.056 318 F CB 0.803 39.873 39.000 0.117 0.000 1.289 318 F HN -0.061 nan 8.300 nan 0.000 0.515 319 V N -1.487 118.569 119.914 0.237 0.000 3.040 319 V HA 0.574 4.693 4.120 -0.000 0.000 0.312 319 V C -2.909 173.197 176.094 0.020 0.000 1.115 319 V CA -3.177 59.169 62.300 0.076 0.000 0.998 319 V CB 1.437 33.255 31.823 -0.008 0.000 1.042 319 V HN 0.415 nan 8.190 nan 0.000 0.433 320 P HA 0.307 nan 4.420 nan 0.000 0.260 320 P C 0.982 178.229 177.300 -0.089 0.000 1.172 320 P CA 2.057 65.138 63.100 -0.031 0.000 0.760 320 P CB 0.497 32.183 31.700 -0.023 0.000 0.773 321 G N 2.579 111.316 108.800 -0.105 0.000 2.238 321 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 321 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 321 G C -0.022 174.773 174.900 -0.174 0.000 0.996 321 G CA -0.374 44.627 45.100 -0.165 0.000 0.632 321 G HN 0.492 nan 8.290 nan 0.000 0.503 322 I N 1.335 121.831 120.570 -0.124 0.000 2.466 322 I HA 0.613 4.783 4.170 -0.000 0.000 0.289 322 I C -0.267 175.719 176.117 -0.217 0.000 1.026 322 I CA -0.715 60.582 61.300 -0.005 0.000 1.078 322 I CB 1.904 39.917 38.000 0.022 0.000 1.249 322 I HN 0.152 nan 8.210 nan 0.000 0.429 323 E N 3.435 123.442 120.200 -0.321 0.000 2.445 323 E HA 0.747 5.097 4.350 -0.000 0.000 0.273 323 E C -0.909 175.311 176.600 -0.633 0.000 0.961 323 E CA -1.076 54.855 56.400 -0.782 0.000 0.807 323 E CB 2.044 31.501 29.700 -0.405 0.000 1.362 323 E HN 0.631 nan 8.360 nan 0.000 0.453 324 A N 0.848 123.292 122.820 -0.627 0.000 2.332 324 A HA 0.524 4.844 4.320 -0.000 0.000 0.258 324 A C 0.059 177.520 177.584 -0.205 0.000 1.087 324 A CA -0.192 51.770 52.037 -0.126 0.000 0.802 324 A CB 0.463 19.498 19.000 0.059 0.000 1.042 324 A HN 0.525 nan 8.150 nan 0.000 0.489 325 S N 0.064 115.635 115.700 -0.214 0.000 2.704 325 S HA 0.651 5.121 4.470 -0.000 0.000 0.305 325 S C -2.576 171.739 174.600 -0.475 0.000 1.107 325 S CA -1.311 56.677 58.200 -0.353 0.000 0.993 325 S CB 1.362 64.433 63.200 -0.215 0.000 1.110 325 S HN 0.318 nan 8.310 nan 0.000 0.534 326 P HA 0.126 nan 4.420 nan 0.000 0.252 326 P C -0.426 176.666 177.300 -0.347 0.000 1.265 326 P CA 0.183 62.947 63.100 -0.559 0.000 0.775 326 P CB -0.280 31.028 31.700 -0.653 0.000 1.128 327 D N 0.829 121.040 120.400 -0.314 0.000 2.451 327 D HA -0.076 4.563 4.640 -0.000 0.000 0.254 327 D C 0.984 177.283 176.300 -0.002 0.000 1.204 327 D CA 0.485 54.469 54.000 -0.027 0.000 0.896 327 D CB 0.762 41.516 40.800 -0.076 0.000 1.136 327 D HN 0.070 nan 8.370 nan 0.000 0.499 328 K N 3.007 123.499 120.400 0.155 0.000 2.152 328 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 328 K C 1.774 178.426 176.600 0.086 0.000 1.048 328 K CA 0.665 57.015 56.287 0.104 0.000 0.933 328 K CB 0.069 32.641 32.500 0.119 0.000 0.721 328 K HN 0.351 nan 8.250 nan 0.000 0.447 329 L N 1.323 122.622 121.223 0.126 0.000 2.027 329 L HA -0.114 4.225 4.340 -0.000 0.000 0.206 329 L C 2.017 178.847 176.870 -0.067 0.000 1.074 329 L CA 1.270 56.178 54.840 0.114 0.000 0.745 329 L CB -0.320 41.894 42.059 0.258 0.000 0.898 329 L HN 0.179 nan 8.230 nan 0.000 0.433 330 L N -1.001 120.004 121.223 -0.363 0.000 2.012 330 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 330 L C 2.602 179.348 176.870 -0.206 0.000 1.073 330 L CA 1.517 55.981 54.840 -0.626 0.000 0.748 330 L CB -0.416 41.090 42.059 -0.922 0.000 0.891 330 L HN 0.448 nan 8.230 nan 0.000 0.431 331 Q N -0.400 119.331 119.800 -0.115 0.000 2.112 331 Q HA -0.211 4.128 4.340 -0.000 0.000 0.206 331 Q C 2.019 178.044 176.000 0.043 0.000 0.987 331 Q CA 1.889 57.684 55.803 -0.014 0.000 0.858 331 Q CB -0.620 28.117 28.738 -0.002 0.000 0.905 331 Q HN 0.676 nan 8.270 nan 0.000 0.420 332 G N 0.756 109.585 108.800 0.048 0.000 2.408 332 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.217 332 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.217 332 G C 1.504 176.479 174.900 0.125 0.000 1.150 332 G CA 0.372 45.536 45.100 0.106 0.000 0.776 332 G HN 0.276 nan 8.290 nan 0.000 0.542 333 R N -0.075 120.460 120.500 0.059 0.000 2.152 333 R HA 0.079 4.419 4.340 -0.000 0.000 0.232 333 R C 2.466 178.836 176.300 0.116 0.000 1.117 333 R CA 0.595 56.770 56.100 0.124 0.000 0.981 333 R CB -0.429 29.905 30.300 0.056 0.000 0.870 333 R HN 0.336 nan 8.270 nan 0.000 0.451 334 L N -0.261 121.004 121.223 0.070 0.000 2.187 334 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 334 L C 2.194 179.142 176.870 0.131 0.000 1.100 334 L CA 1.097 55.982 54.840 0.074 0.000 0.765 334 L CB -0.358 41.773 42.059 0.120 0.000 0.904 334 L HN 0.179 nan 8.230 nan 0.000 0.437 335 F N 0.496 120.466 119.950 0.033 0.000 2.243 335 F HA 0.119 4.646 4.527 -0.000 0.000 0.287 335 F C 2.461 178.268 175.800 0.011 0.000 1.067 335 F CA 0.664 58.676 58.000 0.020 0.000 1.304 335 F CB -0.557 38.452 39.000 0.016 0.000 1.087 335 F HN -0.077 nan 8.300 nan 0.000 0.513 336 A N 0.444 123.059 122.820 -0.340 0.000 1.896 336 A HA -0.286 4.033 4.320 -0.000 0.000 0.220 336 A C 2.110 179.391 177.584 -0.505 0.000 1.206 336 A CA 2.418 54.152 52.037 -0.505 0.000 0.647 336 A CB -1.768 17.093 19.000 -0.233 0.000 0.828 336 A HN 0.580 nan 8.150 nan 0.000 0.455 337 Y N -0.261 119.779 120.300 -0.433 0.000 2.114 337 Y HA -0.042 4.507 4.550 -0.001 0.000 0.284 337 Y C 2.907 178.250 175.900 -0.928 0.000 1.143 337 Y CA 0.947 58.714 58.100 -0.555 0.000 1.135 337 Y CB -1.249 36.977 38.460 -0.390 0.000 0.980 337 Y HN 0.305 nan 8.280 nan 0.000 0.499 338 G N -0.568 107.946 108.800 -0.476 0.000 2.442 338 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.219 338 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.219 338 G C 1.293 175.996 174.900 -0.327 0.000 1.141 338 G CA 1.443 46.316 45.100 -0.378 0.000 0.763 338 G HN 0.449 nan 8.290 nan 0.000 0.554 339 D N 0.609 120.745 120.400 -0.440 0.000 2.117 339 D HA 0.041 4.681 4.640 -0.000 0.000 0.197 339 D C 2.693 178.854 176.300 -0.231 0.000 0.987 339 D CA 1.486 55.260 54.000 -0.376 0.000 0.829 339 D CB -0.353 39.977 40.800 -0.783 0.000 0.961 339 D HN 0.234 nan 8.370 nan 0.000 0.460 340 A N -0.536 122.101 122.820 -0.306 0.000 1.902 340 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 340 A C 1.979 179.583 177.584 0.033 0.000 1.181 340 A CA 1.781 53.736 52.037 -0.138 0.000 0.623 340 A CB -1.126 17.745 19.000 -0.215 0.000 0.818 340 A HN 0.523 nan 8.150 nan 0.000 0.443 341 H N -0.800 118.245 119.070 -0.042 0.000 2.353 341 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 341 H C 2.383 177.702 175.328 -0.015 0.000 1.090 341 H CA 1.221 57.250 56.048 -0.032 0.000 1.327 341 H CB -0.037 29.705 29.762 -0.034 0.000 1.383 341 H HN 0.417 nan 8.280 nan 0.000 0.508 342 R N -0.257 120.318 120.500 0.125 0.000 2.120 342 R HA -0.148 4.191 4.340 -0.000 0.000 0.234 342 R C 2.104 178.460 176.300 0.094 0.000 1.123 342 R CA 1.474 57.629 56.100 0.092 0.000 0.975 342 R CB -0.190 30.154 30.300 0.074 0.000 0.866 342 R HN 0.479 nan 8.270 nan 0.000 0.446 343 H N 0.544 119.622 119.070 0.013 0.000 2.355 343 H HA 0.058 4.614 4.556 -0.000 0.000 0.303 343 H C 2.174 177.510 175.328 0.013 0.000 1.061 343 H CA 1.316 57.370 56.048 0.011 0.000 1.368 343 H CB 0.150 29.912 29.762 -0.000 0.000 1.412 343 H HN -0.056 nan 8.280 nan 0.000 0.523 344 R N -0.185 120.255 120.500 -0.100 0.000 2.073 344 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 344 R C 1.266 177.489 176.300 -0.129 0.000 1.120 344 R CA 1.707 57.715 56.100 -0.153 0.000 0.967 344 R CB 0.160 30.460 30.300 0.001 0.000 0.862 344 R HN 0.324 nan 8.270 nan 0.000 0.436 345 V N -1.529 118.340 119.914 -0.076 0.000 2.854 345 V HA 0.421 4.540 4.120 -0.000 0.000 0.236 345 V C 0.741 176.800 176.094 -0.057 0.000 1.157 345 V CA 0.658 62.908 62.300 -0.083 0.000 1.187 345 V CB 0.848 32.603 31.823 -0.113 0.000 0.949 345 V HN 0.601 nan 8.190 nan 0.000 0.488 346 G N -1.146 107.641 108.800 -0.022 0.000 2.347 346 G HA2 0.406 4.365 3.960 -0.000 0.000 0.321 346 G HA3 0.406 4.365 3.960 -0.000 0.000 0.321 346 G C 0.273 175.194 174.900 0.035 0.000 1.412 346 G CA -0.022 45.078 45.100 -0.001 0.000 0.990 346 G HN 0.463 nan 8.290 nan 0.000 0.637 347 A N -0.176 122.674 122.820 0.051 0.000 1.978 347 A HA 0.011 4.331 4.320 -0.000 0.000 0.220 347 A C 1.554 179.215 177.584 0.128 0.000 1.170 347 A CA 2.026 54.115 52.037 0.088 0.000 0.636 347 A CB -0.237 18.812 19.000 0.081 0.000 0.810 347 A HN 0.592 nan 8.150 nan 0.000 0.448 348 N N -0.046 118.682 118.700 0.046 0.000 2.321 348 N HA 0.036 4.776 4.740 -0.000 0.000 0.242 348 N C 1.215 176.578 175.510 -0.245 0.000 1.141 348 N CA 0.755 53.751 53.050 -0.090 0.000 0.864 348 N CB 0.364 38.791 38.487 -0.100 0.000 1.100 348 N HN 0.597 nan 8.380 nan 0.000 0.510 349 S N 0.605 116.252 115.700 -0.090 0.000 2.419 349 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 349 S C 1.696 176.186 174.600 -0.183 0.000 1.019 349 S CA 0.807 58.925 58.200 -0.136 0.000 0.982 349 S CB -0.692 62.447 63.200 -0.101 0.000 0.789 349 S HN 0.548 nan 8.310 nan 0.000 0.490 350 H N 0.866 119.881 119.070 -0.090 0.000 2.545 350 H HA 0.110 4.666 4.556 -0.000 0.000 0.282 350 H C 1.469 176.743 175.328 -0.091 0.000 1.020 350 H CA 1.151 57.142 56.048 -0.096 0.000 1.243 350 H CB -0.520 29.207 29.762 -0.057 0.000 1.377 350 H HN 0.559 nan 8.280 nan 0.000 0.581 351 Q N 0.745 120.210 119.800 -0.558 0.000 2.424 351 Q HA 0.226 4.566 4.340 -0.000 0.000 0.204 351 Q C 0.483 176.309 176.000 -0.290 0.000 0.933 351 Q CA -0.196 55.387 55.803 -0.367 0.000 0.929 351 Q CB 0.587 29.111 28.738 -0.356 0.000 1.037 351 Q HN 0.406 nan 8.270 nan 0.000 0.511 352 L N 1.695 122.755 121.223 -0.271 0.000 2.426 352 L HA 0.027 4.367 4.340 -0.000 0.000 0.271 352 L C -1.537 175.182 176.870 -0.251 0.000 1.169 352 L CA -1.420 53.262 54.840 -0.263 0.000 0.836 352 L CB 0.116 42.031 42.059 -0.239 0.000 1.112 352 L HN -0.116 nan 8.230 nan 0.000 0.465 353 P HA -0.269 nan 4.420 nan 0.000 0.217 353 P C 1.605 178.762 177.300 -0.238 0.000 1.162 353 P CA 1.326 64.282 63.100 -0.240 0.000 0.901 353 P CB 0.162 31.722 31.700 -0.233 0.000 0.793 354 I N -1.114 119.288 120.570 -0.279 0.000 2.567 354 I HA -0.173 3.997 4.170 -0.000 0.000 0.257 354 I C 1.194 177.166 176.117 -0.241 0.000 1.184 354 I CA 1.684 62.779 61.300 -0.340 0.000 1.451 354 I CB -0.546 37.141 38.000 -0.523 0.000 1.089 354 I HN -0.082 nan 8.210 nan 0.000 0.441 355 N N -0.118 118.450 118.700 -0.221 0.000 2.254 355 N HA 0.077 4.817 4.740 -0.000 0.000 0.190 355 N C 0.223 175.699 175.510 -0.056 0.000 1.107 355 N CA 0.036 52.979 53.050 -0.177 0.000 0.869 355 N CB 0.081 38.428 38.487 -0.233 0.000 0.983 355 N HN 0.493 nan 8.380 nan 0.000 0.487 356 Q N 0.664 120.434 119.800 -0.050 0.000 2.395 356 Q HA 0.335 4.675 4.340 -0.000 0.000 0.271 356 Q C -0.012 176.037 176.000 0.082 0.000 1.026 356 Q CA -0.046 55.751 55.803 -0.011 0.000 0.900 356 Q CB 0.830 29.524 28.738 -0.074 0.000 1.266 356 Q HN 0.191 nan 8.270 nan 0.000 0.430 357 A N 2.069 124.933 122.820 0.074 0.000 2.340 357 A HA 0.110 4.430 4.320 -0.000 0.000 0.268 357 A C 0.724 178.362 177.584 0.090 0.000 1.100 357 A CA -0.320 51.782 52.037 0.109 0.000 0.803 357 A CB 0.745 19.779 19.000 0.057 0.000 1.043 357 A HN 0.921 nan 8.150 nan 0.000 0.488 358 K N 1.387 121.866 120.400 0.132 0.000 2.076 358 K HA 0.102 4.422 4.320 -0.000 0.000 0.204 358 K C 0.942 177.569 176.600 0.045 0.000 1.051 358 K CA 1.040 57.366 56.287 0.064 0.000 0.949 358 K CB -0.153 32.408 32.500 0.101 0.000 0.726 358 K HN 0.838 nan 8.250 nan 0.000 0.443 359 A N 2.976 125.830 122.820 0.057 0.000 2.445 359 A HA 0.234 4.553 4.320 -0.000 0.000 0.242 359 A C -2.252 175.345 177.584 0.022 0.000 1.075 359 A CA -1.239 50.820 52.037 0.036 0.000 0.777 359 A CB -0.225 18.798 19.000 0.038 0.000 1.013 359 A HN 0.286 nan 8.150 nan 0.000 0.493 360 P HA 0.180 nan 4.420 nan 0.000 0.266 360 P C -0.820 176.478 177.300 -0.004 0.000 1.195 360 P CA 0.089 63.190 63.100 0.002 0.000 0.768 360 P CB 0.629 32.327 31.700 -0.004 0.000 0.838 361 V N 4.628 124.538 119.914 -0.007 0.000 2.357 361 V HA 0.276 4.396 4.120 -0.000 0.000 0.284 361 V C 0.036 176.103 176.094 -0.044 0.000 1.018 361 V CA -0.413 61.876 62.300 -0.018 0.000 0.841 361 V CB 0.798 32.626 31.823 0.007 0.000 0.991 361 V HN 0.536 nan 8.190 nan 0.000 0.437 362 N N 5.117 123.773 118.700 -0.074 0.000 2.531 362 N HA 0.481 5.220 4.740 -0.000 0.000 0.268 362 N C -0.860 174.531 175.510 -0.197 0.000 1.023 362 N CA -0.296 52.674 53.050 -0.132 0.000 0.896 362 N CB 2.010 40.425 38.487 -0.119 0.000 1.233 362 N HN 0.695 nan 8.380 nan 0.000 0.512 363 N N 0.061 118.610 118.700 -0.253 0.000 3.038 363 N HA 0.406 5.146 4.740 -0.000 0.000 0.307 363 N C -0.593 174.633 175.510 -0.473 0.000 1.441 363 N CA -0.465 52.419 53.050 -0.277 0.000 0.772 363 N CB 1.513 39.933 38.487 -0.111 0.000 1.651 363 N HN 0.302 nan 8.380 nan 0.000 0.593 364 Y N 0.065 120.359 120.300 -0.009 0.000 2.588 364 Y HA 0.257 4.807 4.550 -0.001 0.000 0.247 364 Y C -0.037 175.871 175.900 0.014 0.000 1.157 364 Y CA -0.237 57.860 58.100 -0.005 0.000 1.215 364 Y CB 0.528 38.986 38.460 -0.003 0.000 1.245 364 Y HN 0.252 nan 8.280 nan 0.000 0.534 365 Q N 1.623 121.480 119.800 0.095 0.000 2.332 365 Q HA 0.239 4.579 4.340 -0.000 0.000 0.263 365 Q C -0.295 175.750 176.000 0.075 0.000 0.979 365 Q CA 0.302 56.151 55.803 0.077 0.000 0.885 365 Q CB 0.871 29.627 28.738 0.030 0.000 1.218 365 Q HN -0.008 nan 8.270 nan 0.000 0.405 366 K N 1.982 122.431 120.400 0.082 0.000 2.509 366 K HA 0.307 4.627 4.320 -0.000 0.000 0.266 366 K C -0.646 175.996 176.600 0.070 0.000 0.987 366 K CA -0.679 55.652 56.287 0.074 0.000 0.868 366 K CB 1.614 34.157 32.500 0.071 0.000 1.421 366 K HN 0.586 nan 8.250 nan 0.000 0.444 367 D N -0.012 120.423 120.400 0.058 0.000 3.245 367 D HA -0.241 4.398 4.640 -0.000 0.000 0.196 367 D C 0.570 176.904 176.300 0.056 0.000 1.370 367 D CA 2.366 56.395 54.000 0.049 0.000 1.087 367 D CB -1.103 39.722 40.800 0.042 0.000 0.612 367 D HN 0.915 nan 8.370 nan 0.000 0.704 368 G N -0.239 108.590 108.800 0.048 0.000 2.707 368 G HA2 0.019 3.979 3.960 -0.000 0.000 0.686 368 G HA3 0.019 3.979 3.960 -0.000 0.000 0.686 368 G C -0.429 174.493 174.900 0.037 0.000 1.315 368 G CA 0.236 45.365 45.100 0.049 0.000 0.832 368 G HN 0.886 nan 8.290 nan 0.000 0.573 369 N N 0.432 119.151 118.700 0.033 0.000 2.458 369 N HA 0.337 5.077 4.740 -0.000 0.000 0.258 369 N C 1.376 176.900 175.510 0.023 0.000 1.219 369 N CA 0.695 53.759 53.050 0.025 0.000 0.902 369 N CB -0.014 38.485 38.487 0.020 0.000 1.076 369 N HN 0.904 nan 8.380 nan 0.000 0.455 370 M N 0.274 119.889 119.600 0.026 0.000 2.212 370 M HA -0.256 4.224 4.480 -0.000 0.000 0.193 370 M C -0.396 175.934 176.300 0.050 0.000 0.493 370 M CA 0.529 55.852 55.300 0.039 0.000 0.427 370 M CB -1.718 30.905 32.600 0.038 0.000 1.120 370 M HN 0.635 nan 8.290 nan 0.000 0.929 371 R N 0.457 120.980 120.500 0.039 0.000 2.248 371 R HA 0.226 4.566 4.340 -0.000 0.000 0.337 371 R C 0.462 176.797 176.300 0.059 0.000 1.085 371 R CA 0.046 56.172 56.100 0.044 0.000 0.934 371 R CB -0.241 30.078 30.300 0.032 0.000 1.034 371 R HN 0.271 nan 8.270 nan 0.000 0.465 372 F N 2.967 122.884 119.950 -0.055 0.000 2.367 372 F HA 0.150 4.677 4.527 -0.000 0.000 0.298 372 F C 0.297 176.075 175.800 -0.038 0.000 1.094 372 F CA 0.925 58.896 58.000 -0.049 0.000 1.409 372 F CB 0.353 39.313 39.000 -0.067 0.000 1.064 372 F HN 0.640 nan 8.300 nan 0.000 0.528 373 N N -0.299 118.468 118.700 0.112 0.000 2.519 373 N HA 0.087 4.826 4.740 -0.000 0.000 0.291 373 N C -0.771 174.762 175.510 0.038 0.000 1.107 373 N CA -0.218 52.864 53.050 0.053 0.000 0.904 373 N CB 0.811 39.381 38.487 0.138 0.000 1.500 373 N HN 0.128 nan 8.380 nan 0.000 0.510 374 N N 2.066 120.768 118.700 0.003 0.000 2.250 374 N HA 0.195 4.935 4.740 -0.000 0.000 0.190 374 N C 0.624 176.133 175.510 -0.002 0.000 1.116 374 N CA 0.426 53.482 53.050 0.010 0.000 0.881 374 N CB 0.554 39.042 38.487 0.002 0.000 1.006 374 N HN 0.782 nan 8.380 nan 0.000 0.491 375 G N 0.971 109.764 108.800 -0.011 0.000 2.660 375 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.215 375 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.215 375 G C -0.074 174.811 174.900 -0.025 0.000 1.345 375 G CA -0.246 44.843 45.100 -0.019 0.000 0.877 375 G HN 0.218 nan 8.290 nan 0.000 0.549 376 N N -0.363 118.320 118.700 -0.029 0.000 2.545 376 N HA 0.209 4.949 4.740 -0.000 0.000 0.190 376 N C 1.427 176.917 175.510 -0.035 0.000 1.043 376 N CA 1.010 54.042 53.050 -0.030 0.000 0.879 376 N CB 0.096 38.566 38.487 -0.029 0.000 1.210 376 N HN 0.746 nan 8.380 nan 0.000 0.437 377 S N 0.874 116.547 115.700 -0.046 0.000 2.561 377 S HA -0.052 4.417 4.470 -0.000 0.000 0.294 377 S C 1.000 175.569 174.600 -0.051 0.000 1.294 377 S CA 0.290 58.452 58.200 -0.063 0.000 1.055 377 S CB 0.378 63.532 63.200 -0.077 0.000 0.819 377 S HN 0.197 nan 8.310 nan 0.000 0.503 378 E N 2.450 122.603 120.200 -0.078 0.000 2.447 378 E HA 0.116 4.466 4.350 -0.000 0.000 0.195 378 E C -0.316 176.258 176.600 -0.043 0.000 1.028 378 E CA 0.281 56.652 56.400 -0.049 0.000 0.876 378 E CB 0.239 29.903 29.700 -0.059 0.000 0.885 378 E HN 0.578 nan 8.360 nan 0.000 0.500 379 I N 2.610 123.105 120.570 -0.125 0.000 2.287 379 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 379 I C 0.480 176.585 176.117 -0.019 0.000 1.069 379 I CA -0.032 61.161 61.300 -0.179 0.000 1.237 379 I CB 0.455 38.192 38.000 -0.438 0.000 1.418 379 I HN 0.039 nan 8.210 nan 0.000 0.481 380 N N 5.987 124.743 118.700 0.095 0.000 2.338 380 N HA 0.143 4.883 4.740 -0.000 0.000 0.251 380 N C -0.683 174.943 175.510 0.193 0.000 1.199 380 N CA -0.558 52.642 53.050 0.250 0.000 0.879 380 N CB 0.503 39.104 38.487 0.191 0.000 1.159 380 N HN 0.510 nan 8.380 nan 0.000 0.514 381 Y N -1.995 118.239 120.300 -0.111 0.000 2.562 381 Y HA 0.681 5.231 4.550 -0.001 0.000 0.345 381 Y C -1.189 174.320 175.900 -0.652 0.000 1.045 381 Y CA -1.254 56.646 58.100 -0.333 0.000 1.028 381 Y CB 1.612 39.992 38.460 -0.134 0.000 1.297 381 Y HN -0.165 nan 8.280 nan 0.000 0.463 382 E N 2.645 122.506 120.200 -0.565 0.000 2.321 382 E HA 0.449 4.799 4.350 -0.000 0.000 0.278 382 E C -2.935 173.587 176.600 -0.129 0.000 0.902 382 E CA -1.949 54.163 56.400 -0.481 0.000 0.758 382 E CB 2.250 31.508 29.700 -0.736 0.000 1.213 382 E HN 0.769 nan 8.360 nan 0.000 0.426 383 P HA 0.324 nan 4.420 nan 0.000 0.272 383 P C -0.973 176.374 177.300 0.079 0.000 1.223 383 P CA -0.195 62.905 63.100 -0.000 0.000 0.784 383 P CB 0.491 32.208 31.700 0.028 0.000 0.923 384 N N -2.176 116.553 118.700 0.049 0.000 2.732 384 N HA 0.334 5.074 4.740 -0.000 0.000 0.259 384 N C -0.700 174.867 175.510 0.095 0.000 1.402 384 N CA -0.929 52.212 53.050 0.151 0.000 0.829 384 N CB 0.531 38.966 38.487 -0.086 0.000 1.495 384 N HN 0.020 nan 8.380 nan 0.000 0.511 385 S N -0.733 114.973 115.700 0.010 0.000 2.622 385 S HA 0.198 4.668 4.470 -0.000 0.000 0.236 385 S C -1.030 173.296 174.600 -0.456 0.000 0.956 385 S CA -0.228 57.826 58.200 -0.244 0.000 0.971 385 S CB -0.920 62.083 63.200 -0.329 0.000 0.782 385 S HN 0.451 nan 8.310 nan 0.000 0.468 386 Y N 0.744 121.045 120.300 0.002 0.000 2.575 386 Y HA 0.295 4.845 4.550 -0.001 0.000 0.326 386 Y C 1.556 177.459 175.900 0.005 0.000 0.979 386 Y CA -1.070 57.032 58.100 0.002 0.000 1.286 386 Y CB 0.014 38.470 38.460 -0.007 0.000 1.093 386 Y HN -0.037 nan 8.280 nan 0.000 0.501 387 T N 0.847 115.452 114.554 0.084 0.000 2.714 387 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 387 T C 1.512 176.255 174.700 0.071 0.000 1.036 387 T CA 2.395 64.531 62.100 0.060 0.000 1.148 387 T CB -0.011 68.876 68.868 0.032 0.000 0.856 387 T HN 0.764 nan 8.240 nan 0.000 0.462 388 E N 1.443 121.696 120.200 0.088 0.000 2.204 388 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 388 E C 1.278 177.908 176.600 0.050 0.000 0.990 388 E CA 0.954 57.391 56.400 0.063 0.000 0.821 388 E CB -0.675 29.064 29.700 0.065 0.000 0.750 388 E HN 0.587 nan 8.360 nan 0.000 0.477 389 T N 0.121 114.723 114.554 0.079 0.000 2.898 389 T HA 0.187 4.537 4.350 -0.000 0.000 0.301 389 T C -2.159 172.581 174.700 0.067 0.000 1.049 389 T CA -1.963 60.175 62.100 0.063 0.000 1.095 389 T CB 0.625 69.578 68.868 0.141 0.000 0.976 389 T HN -0.119 nan 8.240 nan 0.000 0.539 390 P HA 0.145 nan 4.420 nan 0.000 0.262 390 P C -0.635 176.740 177.300 0.126 0.000 1.182 390 P CA 0.072 63.166 63.100 -0.010 0.000 0.761 390 P CB 0.388 31.979 31.700 -0.182 0.000 0.795 391 K N 2.002 122.453 120.400 0.086 0.000 2.385 391 K HA 0.247 4.567 4.320 -0.000 0.000 0.248 391 K C 0.445 177.087 176.600 0.070 0.000 0.955 391 K CA -0.878 55.467 56.287 0.096 0.000 0.816 391 K CB 2.105 34.646 32.500 0.068 0.000 1.250 391 K HN 0.538 nan 8.250 nan 0.000 0.434 392 E N 0.550 120.791 120.200 0.068 0.000 2.436 392 E HA -0.030 4.320 4.350 -0.000 0.000 0.262 392 E C -0.735 175.886 176.600 0.035 0.000 1.063 392 E CA -0.056 56.374 56.400 0.051 0.000 0.944 392 E CB 0.429 30.157 29.700 0.046 0.000 0.950 392 E HN 0.307 nan 8.360 nan 0.000 0.444 393 D N 2.681 123.098 120.400 0.029 0.000 2.462 393 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 393 D C -1.965 174.345 176.300 0.018 0.000 1.117 393 D CA -2.793 51.219 54.000 0.021 0.000 0.900 393 D CB 1.401 42.211 40.800 0.017 0.000 1.039 393 D HN 0.133 nan 8.370 nan 0.000 0.516 394 P HA -0.135 nan 4.420 nan 0.000 0.218 394 P C 1.322 178.628 177.300 0.008 0.000 1.146 394 P CA 1.010 64.117 63.100 0.012 0.000 0.820 394 P CB 0.333 32.039 31.700 0.011 0.000 0.778 395 T N -1.185 113.373 114.554 0.007 0.000 2.849 395 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 395 T C 1.592 176.292 174.700 0.000 0.000 1.066 395 T CA 1.435 63.536 62.100 0.002 0.000 1.130 395 T CB -0.560 68.308 68.868 0.001 0.000 0.864 395 T HN 0.096 nan 8.240 nan 0.000 0.481 396 A N 0.328 123.151 122.820 0.005 0.000 2.251 396 A HA 0.268 4.588 4.320 -0.000 0.000 0.209 396 A C 0.875 178.463 177.584 0.007 0.000 1.187 396 A CA -0.059 51.982 52.037 0.005 0.000 0.823 396 A CB -0.084 18.924 19.000 0.014 0.000 0.846 396 A HN 0.355 nan 8.150 nan 0.000 0.486 397 K N 0.777 121.181 120.400 0.007 0.000 2.469 397 K HA 0.212 4.531 4.320 -0.000 0.000 0.274 397 K C 0.413 177.014 176.600 0.001 0.000 0.983 397 K CA 0.123 56.415 56.287 0.008 0.000 0.974 397 K CB 0.388 32.892 32.500 0.008 0.000 0.913 397 K HN 0.607 nan 8.250 nan 0.000 0.493 398 I N -0.850 119.722 120.570 0.004 0.000 3.004 398 I HA 0.100 4.270 4.170 -0.000 0.000 0.287 398 I C 0.274 176.395 176.117 0.007 0.000 1.144 398 I CA -0.628 60.668 61.300 -0.007 0.000 1.353 398 I CB 1.148 39.147 38.000 -0.001 0.000 1.417 398 I HN 0.502 nan 8.210 nan 0.000 0.602 399 S N 3.292 118.989 115.700 -0.005 0.000 2.531 399 S HA 0.255 4.725 4.470 -0.000 0.000 0.279 399 S C 0.230 174.884 174.600 0.090 0.000 1.305 399 S CA -0.475 57.730 58.200 0.008 0.000 1.058 399 S CB 0.578 63.751 63.200 -0.046 0.000 0.899 399 S HN 0.876 nan 8.310 nan 0.000 0.493 400 S N 2.643 118.384 115.700 0.070 0.000 2.580 400 S HA 0.675 5.145 4.470 -0.000 0.000 0.274 400 S C -0.357 174.338 174.600 0.159 0.000 1.329 400 S CA -0.862 57.378 58.200 0.067 0.000 1.036 400 S CB -0.247 62.947 63.200 -0.009 0.000 0.919 400 S HN 1.000 nan 8.310 nan 0.000 0.515 401 F N -1.420 118.499 119.950 -0.052 0.000 2.626 401 F HA 0.672 5.199 4.527 -0.001 0.000 0.311 401 F C -0.437 175.370 175.800 0.011 0.000 1.088 401 F CA -1.490 56.485 58.000 -0.041 0.000 0.949 401 F CB 0.962 39.908 39.000 -0.090 0.000 1.322 401 F HN 0.678 nan 8.300 nan 0.000 0.461 402 E N 1.311 121.608 120.200 0.162 0.000 2.373 402 E HA 0.450 4.800 4.350 -0.000 0.000 0.267 402 E C -1.491 175.132 176.600 0.038 0.000 1.032 402 E CA -0.566 55.869 56.400 0.059 0.000 0.889 402 E CB 1.581 31.357 29.700 0.126 0.000 0.984 402 E HN 0.699 nan 8.360 nan 0.000 0.425 403 V N 3.688 123.574 119.914 -0.046 0.000 2.628 403 V HA 0.458 4.578 4.120 -0.000 0.000 0.306 403 V C -0.864 175.229 176.094 -0.001 0.000 1.045 403 V CA -0.298 61.983 62.300 -0.033 0.000 0.905 403 V CB 1.843 33.603 31.823 -0.105 0.000 0.997 403 V HN 0.879 nan 8.190 nan 0.000 0.436 404 E N 2.801 123.007 120.200 0.009 0.000 2.416 404 E HA 0.679 5.029 4.350 -0.000 0.000 0.273 404 E C 0.062 176.662 176.600 0.001 0.000 0.935 404 E CA 0.107 56.513 56.400 0.009 0.000 0.784 404 E CB 2.160 31.871 29.700 0.019 0.000 1.301 404 E HN 1.294 nan 8.360 nan 0.000 0.454 405 G N 1.876 110.687 108.800 0.019 0.000 2.539 405 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.256 405 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.256 405 G C -0.641 174.307 174.900 0.081 0.000 1.233 405 G CA -0.266 44.863 45.100 0.049 0.000 0.936 405 G HN 0.517 nan 8.290 nan 0.000 0.571 406 N N -0.714 118.084 118.700 0.164 0.000 2.430 406 N HA 0.551 5.291 4.740 -0.000 0.000 0.298 406 N C 0.048 175.696 175.510 0.230 0.000 1.130 406 N CA -0.455 52.693 53.050 0.164 0.000 0.894 406 N CB 1.871 40.440 38.487 0.137 0.000 1.209 406 N HN 0.551 nan 8.380 nan 0.000 0.503 407 V N 0.759 120.752 119.914 0.133 0.000 2.572 407 V HA 0.570 4.689 4.120 -0.000 0.000 0.291 407 V C 0.999 177.157 176.094 0.106 0.000 1.039 407 V CA 0.586 62.962 62.300 0.126 0.000 1.055 407 V CB 0.428 32.284 31.823 0.056 0.000 0.969 407 V HN 0.900 nan 8.190 nan 0.000 0.482 408 G N 4.316 113.193 108.800 0.129 0.000 2.430 408 G HA2 0.209 4.169 3.960 -0.000 0.000 0.300 408 G HA3 0.209 4.169 3.960 -0.000 0.000 0.300 408 G C -1.300 173.531 174.900 -0.115 0.000 1.330 408 G CA -0.829 44.204 45.100 -0.111 0.000 0.813 408 G HN 0.447 nan 8.290 nan 0.000 0.487 409 N N 0.832 119.380 118.700 -0.254 0.000 2.678 409 N HA 0.348 5.087 4.740 -0.000 0.000 0.231 409 N C -1.276 174.104 175.510 -0.216 0.000 1.038 409 N CA 0.019 52.986 53.050 -0.138 0.000 0.932 409 N CB 0.980 39.410 38.487 -0.095 0.000 1.176 409 N HN 0.331 nan 8.380 nan 0.000 0.511 410 Y N 0.153 120.421 120.300 -0.052 0.000 2.352 410 Y HA 0.240 4.789 4.550 -0.001 0.000 0.326 410 Y C 1.113 176.956 175.900 -0.095 0.000 1.166 410 Y CA -0.336 57.727 58.100 -0.062 0.000 1.182 410 Y CB 1.185 39.602 38.460 -0.072 0.000 1.216 410 Y HN 0.182 nan 8.280 nan 0.000 0.474 411 S N 1.273 117.038 115.700 0.109 0.000 2.654 411 S HA 0.415 4.885 4.470 -0.000 0.000 0.283 411 S C -0.995 173.668 174.600 0.106 0.000 1.180 411 S CA -0.666 57.580 58.200 0.076 0.000 1.021 411 S CB 0.633 63.891 63.200 0.095 0.000 1.018 411 S HN 0.402 nan 8.310 nan 0.000 0.532 412 Y N 1.538 121.908 120.300 0.117 0.000 2.418 412 Y HA 0.320 4.869 4.550 -0.001 0.000 0.327 412 Y C 1.033 176.970 175.900 0.062 0.000 1.309 412 Y CA -1.471 56.685 58.100 0.093 0.000 1.423 412 Y CB 0.309 38.829 38.460 0.100 0.000 1.423 412 Y HN 0.720 nan 8.280 nan 0.000 0.532 413 N N 0.387 119.236 118.700 0.249 0.000 2.226 413 N HA -0.139 4.601 4.740 -0.000 0.000 0.232 413 N C 0.035 175.500 175.510 -0.075 0.000 1.255 413 N CA 0.766 53.838 53.050 0.038 0.000 0.855 413 N CB 0.319 38.771 38.487 -0.059 0.000 1.095 413 N HN 0.594 nan 8.380 nan 0.000 0.444 414 Q N 0.051 119.727 119.800 -0.207 0.000 2.171 414 Q HA 0.039 4.378 4.340 -0.000 0.000 0.218 414 Q C -0.927 174.637 176.000 -0.727 0.000 0.822 414 Q CA -0.150 55.357 55.803 -0.493 0.000 0.987 414 Q CB 0.383 29.030 28.738 -0.152 0.000 1.144 414 Q HN 0.619 nan 8.270 nan 0.000 0.494 415 D N 0.216 120.337 120.400 -0.466 0.000 2.551 415 D HA -0.039 4.601 4.640 -0.000 0.000 0.223 415 D C 0.476 176.538 176.300 -0.397 0.000 1.144 415 D CA 0.274 54.098 54.000 -0.293 0.000 1.025 415 D CB 0.158 40.870 40.800 -0.146 0.000 1.085 415 D HN 0.175 nan 8.370 nan 0.000 0.506 416 H N 2.237 121.030 119.070 -0.462 0.000 2.551 416 H HA 0.094 4.650 4.556 -0.000 0.000 0.271 416 H C 0.602 175.412 175.328 -0.863 0.000 0.984 416 H CA 0.241 55.843 56.048 -0.743 0.000 1.164 416 H CB 0.227 29.371 29.762 -1.031 0.000 1.437 416 H HN 0.430 nan 8.280 nan 0.000 0.550 417 F N -0.168 119.792 119.950 0.016 0.000 2.637 417 F HA 0.096 4.622 4.527 -0.001 0.000 0.284 417 F C 2.355 178.129 175.800 -0.043 0.000 1.105 417 F CA 0.228 58.222 58.000 -0.011 0.000 1.356 417 F CB -0.359 38.635 39.000 -0.011 0.000 1.096 417 F HN -0.121 nan 8.300 nan 0.000 0.616 418 T N 0.534 115.146 114.554 0.097 0.000 2.607 418 T HA -0.244 4.105 4.350 -0.000 0.000 0.267 418 T C 1.874 176.540 174.700 -0.056 0.000 1.049 418 T CA 1.954 64.069 62.100 0.026 0.000 1.162 418 T CB -0.435 68.433 68.868 -0.000 0.000 0.863 418 T HN 0.313 nan 8.240 nan 0.000 0.424 419 Q N 0.471 120.162 119.800 -0.182 0.000 2.167 419 Q HA 0.051 4.390 4.340 -0.000 0.000 0.202 419 Q C 2.724 178.444 176.000 -0.466 0.000 0.970 419 Q CA 1.187 56.775 55.803 -0.360 0.000 0.855 419 Q CB -0.295 28.109 28.738 -0.556 0.000 0.911 419 Q HN 0.569 nan 8.270 nan 0.000 0.438 420 A N 1.589 124.193 122.820 -0.361 0.000 1.930 420 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 420 A C 1.859 179.521 177.584 0.131 0.000 1.175 420 A CA 1.685 53.683 52.037 -0.064 0.000 0.627 420 A CB -0.577 18.479 19.000 0.092 0.000 0.815 420 A HN 0.342 nan 8.150 nan 0.000 0.443 421 N N 0.322 119.092 118.700 0.118 0.000 2.142 421 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 421 N C 1.732 177.335 175.510 0.155 0.000 1.023 421 N CA 1.826 54.980 53.050 0.174 0.000 0.852 421 N CB -0.368 38.196 38.487 0.129 0.000 0.998 421 N HN 0.327 nan 8.380 nan 0.000 0.424 422 A N 0.416 123.278 122.820 0.069 0.000 1.908 422 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 422 A C 2.149 179.775 177.584 0.070 0.000 1.181 422 A CA 1.475 53.544 52.037 0.053 0.000 0.627 422 A CB -0.960 18.047 19.000 0.012 0.000 0.818 422 A HN 0.416 nan 8.150 nan 0.000 0.445 423 L N -1.623 119.651 121.223 0.084 0.000 2.027 423 L HA -0.127 4.212 4.340 -0.000 0.000 0.206 423 L C 2.294 179.215 176.870 0.084 0.000 1.074 423 L CA 2.450 57.352 54.840 0.103 0.000 0.745 423 L CB -1.074 41.086 42.059 0.168 0.000 0.898 423 L HN 0.511 nan 8.230 nan 0.000 0.433 424 Y N 0.517 120.813 120.300 -0.007 0.000 2.207 424 Y HA -0.273 4.276 4.550 -0.000 0.000 0.287 424 Y C 2.265 178.121 175.900 -0.074 0.000 1.156 424 Y CA 2.157 60.198 58.100 -0.098 0.000 1.182 424 Y CB -0.255 38.123 38.460 -0.137 0.000 0.979 424 Y HN 0.379 nan 8.280 nan 0.000 0.521 425 N N 0.177 118.909 118.700 0.053 0.000 2.396 425 N HA -0.078 4.662 4.740 -0.000 0.000 0.180 425 N C 1.578 177.044 175.510 -0.074 0.000 1.028 425 N CA 1.183 54.222 53.050 -0.018 0.000 0.893 425 N CB -0.165 38.362 38.487 0.067 0.000 0.967 425 N HN 0.440 nan 8.380 nan 0.000 0.440 426 L N 0.446 121.638 121.223 -0.052 0.000 2.446 426 L HA 0.145 4.485 4.340 -0.000 0.000 0.219 426 L C 0.482 177.309 176.870 -0.072 0.000 1.116 426 L CA 0.059 54.875 54.840 -0.041 0.000 0.844 426 L CB -0.070 41.989 42.059 0.000 0.000 0.970 426 L HN -0.022 nan 8.230 nan 0.000 0.457 427 L N 2.450 123.592 121.223 -0.134 0.000 2.410 427 L HA 0.167 4.507 4.340 -0.000 0.000 0.273 427 L C -1.816 174.963 176.870 -0.152 0.000 1.152 427 L CA -1.735 53.018 54.840 -0.145 0.000 0.855 427 L CB 0.034 41.966 42.059 -0.211 0.000 1.129 427 L HN -0.141 nan 8.230 nan 0.000 0.463 428 P HA 0.026 nan 4.420 nan 0.000 0.272 428 P C 0.636 177.874 177.300 -0.103 0.000 1.223 428 P CA -0.343 62.707 63.100 -0.084 0.000 0.784 428 P CB 0.985 32.656 31.700 -0.050 0.000 0.923 429 S N 2.119 117.764 115.700 -0.092 0.000 2.381 429 S HA -0.289 4.181 4.470 -0.000 0.000 0.230 429 S C 1.605 176.159 174.600 -0.076 0.000 1.052 429 S CA 1.794 59.940 58.200 -0.090 0.000 1.068 429 S CB -1.169 61.994 63.200 -0.061 0.000 0.918 429 S HN 0.668 nan 8.310 nan 0.000 0.448 430 E N 1.869 122.036 120.200 -0.055 0.000 2.110 430 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 430 E C 2.012 178.586 176.600 -0.044 0.000 0.988 430 E CA 1.573 57.949 56.400 -0.041 0.000 0.804 430 E CB -0.595 29.088 29.700 -0.028 0.000 0.745 430 E HN 0.851 nan 8.360 nan 0.000 0.458 431 E N 1.215 121.382 120.200 -0.055 0.000 2.158 431 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 431 E C 1.998 178.550 176.600 -0.079 0.000 0.982 431 E CA 0.584 56.953 56.400 -0.052 0.000 0.823 431 E CB 0.158 29.829 29.700 -0.047 0.000 0.766 431 E HN 0.181 nan 8.360 nan 0.000 0.468 432 K N 0.376 120.698 120.400 -0.129 0.000 2.057 432 K HA -0.185 4.134 4.320 -0.000 0.000 0.206 432 K C 2.107 178.650 176.600 -0.095 0.000 1.050 432 K CA 1.386 57.564 56.287 -0.181 0.000 0.935 432 K CB -0.041 32.291 32.500 -0.280 0.000 0.715 432 K HN 0.020 nan 8.250 nan 0.000 0.439 433 E N 1.297 121.459 120.200 -0.064 0.000 2.110 433 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 433 E C 1.610 178.201 176.600 -0.015 0.000 0.988 433 E CA 1.361 57.742 56.400 -0.031 0.000 0.804 433 E CB 0.012 29.697 29.700 -0.025 0.000 0.745 433 E HN 0.194 nan 8.360 nan 0.000 0.458 434 N N 0.382 119.073 118.700 -0.015 0.000 2.142 434 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 434 N C 1.792 177.314 175.510 0.021 0.000 1.023 434 N CA 0.845 53.900 53.050 0.007 0.000 0.852 434 N CB -0.472 38.020 38.487 0.009 0.000 0.998 434 N HN 0.231 nan 8.380 nan 0.000 0.424 435 L N 1.062 122.288 121.223 0.005 0.000 1.989 435 L HA -0.156 4.183 4.340 -0.000 0.000 0.211 435 L C 1.730 178.624 176.870 0.039 0.000 1.071 435 L CA 1.558 56.413 54.840 0.025 0.000 0.749 435 L CB -0.411 41.631 42.059 -0.028 0.000 0.890 435 L HN 0.023 nan 8.230 nan 0.000 0.431 436 I N 0.556 121.133 120.570 0.012 0.000 2.179 436 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 436 I C 2.325 178.451 176.117 0.015 0.000 1.088 436 I CA 1.207 62.514 61.300 0.011 0.000 1.357 436 I CB -1.764 36.243 38.000 0.012 0.000 1.051 436 I HN 0.387 nan 8.210 nan 0.000 0.409 437 N N 1.433 120.145 118.700 0.021 0.000 2.166 437 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 437 N C 1.533 177.074 175.510 0.053 0.000 1.019 437 N CA 0.985 54.051 53.050 0.027 0.000 0.856 437 N CB -0.437 38.064 38.487 0.022 0.000 0.993 437 N HN 0.413 nan 8.380 nan 0.000 0.426 438 N N 1.217 119.963 118.700 0.076 0.000 2.142 438 N HA -0.020 4.719 4.740 -0.000 0.000 0.186 438 N C 1.946 177.559 175.510 0.172 0.000 1.023 438 N CA 0.547 53.671 53.050 0.123 0.000 0.852 438 N CB -0.225 38.346 38.487 0.139 0.000 0.998 438 N HN 0.310 nan 8.380 nan 0.000 0.424 439 I N 1.096 121.758 120.570 0.152 0.000 2.202 439 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 439 I C 2.351 178.491 176.117 0.038 0.000 1.091 439 I CA 0.880 62.279 61.300 0.166 0.000 1.368 439 I CB -0.339 37.680 38.000 0.032 0.000 1.058 439 I HN 0.041 nan 8.210 nan 0.000 0.410 440 A N 0.937 123.755 122.820 -0.004 0.000 1.883 440 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 440 A C 2.544 180.128 177.584 0.001 0.000 1.186 440 A CA 2.103 54.121 52.037 -0.032 0.000 0.624 440 A CB -0.945 18.044 19.000 -0.019 0.000 0.822 440 A HN 0.448 nan 8.150 nan 0.000 0.444 441 A N -1.206 121.643 122.820 0.048 0.000 1.978 441 A HA -0.086 4.233 4.320 -0.000 0.000 0.220 441 A C 2.444 180.090 177.584 0.104 0.000 1.170 441 A CA 2.322 54.399 52.037 0.067 0.000 0.636 441 A CB -0.692 18.356 19.000 0.079 0.000 0.810 441 A HN 0.565 nan 8.150 nan 0.000 0.448 442 S N -1.157 114.647 115.700 0.173 0.000 2.339 442 S HA -0.012 4.457 4.470 -0.000 0.000 0.213 442 S C 1.860 176.573 174.600 0.189 0.000 1.033 442 S CA 0.935 59.325 58.200 0.316 0.000 0.950 442 S CB -0.413 63.156 63.200 0.615 0.000 0.893 442 S HN 0.446 nan 8.310 nan 0.000 0.492 443 L N 2.248 123.359 121.223 -0.186 0.000 2.127 443 L HA 0.140 4.480 4.340 -0.000 0.000 0.211 443 L C 2.122 178.820 176.870 -0.288 0.000 1.089 443 L CA 2.122 56.509 54.840 -0.755 0.000 0.757 443 L CB -1.256 40.172 42.059 -1.051 0.000 0.899 443 L HN 0.427 nan 8.230 nan 0.000 0.434 444 G N -1.519 107.200 108.800 -0.136 0.000 2.535 444 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.218 444 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.218 444 G C 1.375 176.261 174.900 -0.023 0.000 1.122 444 G CA 0.541 45.601 45.100 -0.067 0.000 0.769 444 G HN 0.576 nan 8.290 nan 0.000 0.549 445 Q N -0.362 119.444 119.800 0.009 0.000 2.424 445 Q HA 0.152 4.492 4.340 -0.000 0.000 0.204 445 Q C 0.510 176.536 176.000 0.043 0.000 0.933 445 Q CA -0.286 55.541 55.803 0.039 0.000 0.929 445 Q CB 0.604 29.387 28.738 0.075 0.000 1.037 445 Q HN 0.307 nan 8.270 nan 0.000 0.511 446 V N 1.937 121.869 119.914 0.031 0.000 2.740 446 V HA -0.052 4.068 4.120 -0.000 0.000 0.303 446 V C 1.138 177.248 176.094 0.025 0.000 1.054 446 V CA 0.426 62.755 62.300 0.047 0.000 1.106 446 V CB 1.089 32.937 31.823 0.042 0.000 0.957 446 V HN 0.203 nan 8.190 nan 0.000 0.486 447 K N 1.922 122.343 120.400 0.035 0.000 2.168 447 K HA 0.071 4.391 4.320 -0.000 0.000 0.201 447 K C 0.934 177.549 176.600 0.024 0.000 1.049 447 K CA 0.065 56.367 56.287 0.025 0.000 0.974 447 K CB -0.108 32.408 32.500 0.026 0.000 0.792 447 K HN 0.567 nan 8.250 nan 0.000 0.463 448 N N 3.190 121.911 118.700 0.035 0.000 2.412 448 N HA -0.052 4.688 4.740 -0.000 0.000 0.279 448 N C 0.637 176.162 175.510 0.024 0.000 1.287 448 N CA 0.442 53.513 53.050 0.035 0.000 0.948 448 N CB 0.794 39.312 38.487 0.051 0.000 1.255 448 N HN 0.151 nan 8.380 nan 0.000 0.485 449 Q N 2.126 121.934 119.800 0.015 0.000 2.234 449 Q HA -0.159 4.180 4.340 -0.000 0.000 0.206 449 Q C 1.016 177.018 176.000 0.004 0.000 0.980 449 Q CA 1.362 57.168 55.803 0.005 0.000 0.869 449 Q CB 0.185 28.925 28.738 0.003 0.000 0.912 449 Q HN 0.686 nan 8.270 nan 0.000 0.436 450 E N 0.237 120.445 120.200 0.013 0.000 2.150 450 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 450 E C 1.831 178.432 176.600 0.001 0.000 0.985 450 E CA 0.703 57.109 56.400 0.010 0.000 0.814 450 E CB 0.013 29.727 29.700 0.023 0.000 0.752 450 E HN 0.418 nan 8.360 nan 0.000 0.466 451 I N 0.857 121.437 120.570 0.017 0.000 2.233 451 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 451 I C 2.324 178.446 176.117 0.008 0.000 1.093 451 I CA 0.896 62.209 61.300 0.021 0.000 1.380 451 I CB -0.142 37.905 38.000 0.079 0.000 1.067 451 I HN 0.091 nan 8.210 nan 0.000 0.413 452 I N 0.914 121.480 120.570 -0.006 0.000 2.179 452 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 452 I C 2.832 178.930 176.117 -0.031 0.000 1.088 452 I CA 1.423 62.698 61.300 -0.041 0.000 1.357 452 I CB -0.527 37.442 38.000 -0.051 0.000 1.051 452 I HN 0.187 nan 8.210 nan 0.000 0.409 453 A N 0.805 123.611 122.820 -0.023 0.000 1.877 453 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 453 A C 2.463 180.027 177.584 -0.033 0.000 1.186 453 A CA 1.815 53.838 52.037 -0.022 0.000 0.620 453 A CB -0.692 18.297 19.000 -0.017 0.000 0.822 453 A HN 0.350 nan 8.150 nan 0.000 0.443 454 R N -0.920 119.552 120.500 -0.045 0.000 2.091 454 R HA -0.239 4.100 4.340 -0.000 0.000 0.238 454 R C 2.395 178.645 176.300 -0.082 0.000 1.136 454 R CA 2.061 58.118 56.100 -0.072 0.000 0.959 454 R CB -0.267 29.959 30.300 -0.123 0.000 0.856 454 R HN 0.540 nan 8.270 nan 0.000 0.437 455 Q N 0.763 120.523 119.800 -0.066 0.000 2.046 455 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 455 Q C 1.954 177.875 176.000 -0.132 0.000 0.975 455 Q CA 1.773 57.514 55.803 -0.104 0.000 0.836 455 Q CB -0.196 28.545 28.738 0.005 0.000 0.896 455 Q HN 0.482 nan 8.270 nan 0.000 0.428 456 I N 0.665 121.236 120.570 0.002 0.000 2.286 456 I HA -0.271 3.898 4.170 -0.000 0.000 0.248 456 I C 1.331 177.456 176.117 0.014 0.000 1.115 456 I CA 1.285 62.636 61.300 0.086 0.000 1.392 456 I CB -0.278 37.748 38.000 0.044 0.000 1.065 456 I HN 0.224 nan 8.210 nan 0.000 0.418 457 D N 0.493 120.870 120.400 -0.037 0.000 2.178 457 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 457 D C 2.078 178.326 176.300 -0.087 0.000 0.980 457 D CA 1.040 55.005 54.000 -0.057 0.000 0.842 457 D CB -0.128 40.639 40.800 -0.056 0.000 0.948 457 D HN 0.161 nan 8.370 nan 0.000 0.472 458 L N -0.188 120.965 121.223 -0.116 0.000 2.027 458 L HA -0.095 4.244 4.340 -0.000 0.000 0.206 458 L C 2.094 178.875 176.870 -0.148 0.000 1.074 458 L CA 1.251 56.024 54.840 -0.111 0.000 0.745 458 L CB -0.754 41.168 42.059 -0.230 0.000 0.898 458 L HN -0.044 nan 8.230 nan 0.000 0.433 459 F N -0.495 119.347 119.950 -0.179 0.000 2.134 459 F HA -0.177 4.349 4.527 -0.001 0.000 0.299 459 F C 2.536 178.147 175.800 -0.315 0.000 1.097 459 F CA 1.497 59.236 58.000 -0.435 0.000 1.264 459 F CB -1.501 37.146 39.000 -0.590 0.000 1.001 459 F HN 0.028 nan 8.300 nan 0.000 0.479 460 T N -0.182 114.362 114.554 -0.016 0.000 2.759 460 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 460 T C 2.081 176.715 174.700 -0.109 0.000 1.042 460 T CA 1.207 63.277 62.100 -0.050 0.000 1.140 460 T CB -0.226 68.613 68.868 -0.049 0.000 0.864 460 T HN 0.210 nan 8.240 nan 0.000 0.455 461 R N 0.359 120.745 120.500 -0.190 0.000 2.189 461 R HA 0.025 4.365 4.340 -0.000 0.000 0.223 461 R C 2.334 178.465 176.300 -0.281 0.000 1.092 461 R CA 0.618 56.478 56.100 -0.400 0.000 0.989 461 R CB -0.393 29.387 30.300 -0.866 0.000 0.876 461 R HN 0.293 nan 8.270 nan 0.000 0.457 462 V N 0.482 120.385 119.914 -0.018 0.000 2.323 462 V HA -0.107 4.012 4.120 -0.000 0.000 0.244 462 V C 0.553 176.685 176.094 0.065 0.000 1.041 462 V CA 1.204 63.595 62.300 0.152 0.000 1.025 462 V CB -0.439 31.512 31.823 0.215 0.000 0.656 462 V HN 0.364 nan 8.190 nan 0.000 0.451 463 N N -1.841 116.862 118.700 0.004 0.000 2.554 463 N HA 0.246 4.985 4.740 -0.000 0.000 0.271 463 N C -2.601 172.884 175.510 -0.042 0.000 1.081 463 N CA -0.898 52.130 53.050 -0.036 0.000 0.994 463 N CB 2.324 40.721 38.487 -0.150 0.000 1.641 463 N HN -0.226 nan 8.380 nan 0.000 0.511 464 P HA -0.216 nan 4.420 nan 0.000 0.216 464 P C 0.704 178.007 177.300 0.005 0.000 1.153 464 P CA 1.142 64.234 63.100 -0.015 0.000 0.858 464 P CB 0.263 31.958 31.700 -0.008 0.000 0.789 465 E N -1.844 118.368 120.200 0.020 0.000 2.072 465 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 465 E C 1.905 178.544 176.600 0.064 0.000 0.985 465 E CA 0.773 57.209 56.400 0.061 0.000 0.801 465 E CB -0.504 29.276 29.700 0.134 0.000 0.750 465 E HN 0.097 nan 8.360 nan 0.000 0.452 466 Y N 0.971 121.093 120.300 -0.298 0.000 2.053 466 Y HA -0.164 4.386 4.550 -0.001 0.000 0.277 466 Y C 2.286 178.073 175.900 -0.189 0.000 1.159 466 Y CA 1.958 59.797 58.100 -0.434 0.000 1.125 466 Y CB -1.067 36.952 38.460 -0.735 0.000 0.969 466 Y HN 0.117 nan 8.280 nan 0.000 0.492 467 G N -0.665 108.165 108.800 0.050 0.000 2.418 467 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 467 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 467 G C 1.879 176.794 174.900 0.024 0.000 1.158 467 G CA 1.345 46.461 45.100 0.027 0.000 0.771 467 G HN 0.627 nan 8.290 nan 0.000 0.545 468 A N 0.798 123.635 122.820 0.028 0.000 1.877 468 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 468 A C 2.463 180.062 177.584 0.025 0.000 1.186 468 A CA 1.548 53.599 52.037 0.022 0.000 0.620 468 A CB -0.389 18.626 19.000 0.025 0.000 0.822 468 A HN 0.295 nan 8.150 nan 0.000 0.443 469 R N -0.578 119.950 120.500 0.046 0.000 2.081 469 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 469 R C 2.106 178.414 176.300 0.014 0.000 1.131 469 R CA 1.500 57.625 56.100 0.043 0.000 0.960 469 R CB -0.752 29.596 30.300 0.079 0.000 0.856 469 R HN 0.436 nan 8.270 nan 0.000 0.436 470 V N 1.124 121.035 119.914 -0.005 0.000 2.261 470 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 470 V C 2.566 178.633 176.094 -0.044 0.000 1.047 470 V CA 1.960 64.221 62.300 -0.065 0.000 1.015 470 V CB -0.826 30.885 31.823 -0.186 0.000 0.642 470 V HN 0.367 nan 8.190 nan 0.000 0.446 471 A N -0.602 122.205 122.820 -0.023 0.000 1.940 471 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 471 A C 2.280 179.855 177.584 -0.015 0.000 1.176 471 A CA 2.308 54.334 52.037 -0.017 0.000 0.631 471 A CB -0.591 18.405 19.000 -0.006 0.000 0.814 471 A HN 0.651 nan 8.150 nan 0.000 0.446 472 Q N -0.553 119.242 119.800 -0.008 0.000 2.079 472 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 472 Q C 2.150 178.146 176.000 -0.007 0.000 0.974 472 Q CA 1.522 57.323 55.803 -0.004 0.000 0.840 472 Q CB -0.353 28.387 28.738 0.003 0.000 0.898 472 Q HN 0.571 nan 8.270 nan 0.000 0.430 473 A N 0.978 123.792 122.820 -0.010 0.000 1.933 473 A HA -0.142 4.177 4.320 -0.000 0.000 0.218 473 A C 2.007 179.582 177.584 -0.015 0.000 1.175 473 A CA 1.269 53.299 52.037 -0.011 0.000 0.628 473 A CB -0.609 18.383 19.000 -0.012 0.000 0.814 473 A HN 0.488 nan 8.150 nan 0.000 0.444 474 I N -0.712 119.843 120.570 -0.025 0.000 2.179 474 I HA -0.255 3.914 4.170 -0.000 0.000 0.242 474 I C 2.500 178.606 176.117 -0.018 0.000 1.088 474 I CA 1.651 62.934 61.300 -0.029 0.000 1.357 474 I CB -0.313 37.661 38.000 -0.045 0.000 1.051 474 I HN 0.310 nan 8.210 nan 0.000 0.409 475 K N 0.970 121.360 120.400 -0.015 0.000 2.218 475 K HA -0.226 4.093 4.320 -0.000 0.000 0.205 475 K C 1.393 177.989 176.600 -0.007 0.000 1.046 475 K CA 1.391 57.672 56.287 -0.010 0.000 0.933 475 K CB -0.030 32.465 32.500 -0.008 0.000 0.728 475 K HN 0.473 nan 8.250 nan 0.000 0.454 476 Q N 0.495 120.292 119.800 -0.006 0.000 2.265 476 Q HA 0.024 4.363 4.340 -0.000 0.000 0.217 476 Q C -0.226 175.773 176.000 -0.002 0.000 0.916 476 Q CA 0.193 55.994 55.803 -0.003 0.000 0.948 476 Q CB 0.396 29.133 28.738 -0.002 0.000 1.020 476 Q HN 0.325 nan 8.270 nan 0.000 0.462 477 Q N 0.000 119.798 119.800 -0.003 0.000 2.315 477 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 477 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 477 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 477 Q HN 0.000 nan 8.270 nan 0.000 0.481