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 2c7v_1_B DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVXQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVQXXXXXXX NGKTVETQVA ELIGTNAIAP FLLTMSFAQR QKXXXXXXTS DATA SEQUENCE SNLSIVNLCD AMVDQPXMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.536 176.600 -0.107 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.066 0.000 0.976 2 E CB 0.000 29.674 29.700 -0.043 0.000 0.812 3 A N 3.913 126.655 122.820 -0.129 0.000 2.401 3 A HA 0.535 2.846 4.320 -3.349 0.000 0.259 3 A C -2.235 175.204 177.584 -0.242 0.000 1.103 3 A CA -0.890 51.024 52.037 -0.206 0.000 0.789 3 A CB 0.083 18.955 19.000 -0.214 0.000 1.035 3 A HN 0.290 nan 8.150 nan 0.000 0.491 4 P HA 0.459 nan 4.420 nan 0.000 0.274 4 P C -0.595 176.558 177.300 -0.245 0.000 1.256 4 P CA -0.143 62.755 63.100 -0.336 0.000 0.795 4 P CB 1.157 32.519 31.700 -0.563 0.000 1.038 5 A N 0.241 123.038 122.820 -0.038 0.000 2.386 5 A HA 0.751 3.062 4.320 -3.349 0.000 0.311 5 A C -1.008 176.701 177.584 0.208 0.000 1.068 5 A CA -0.656 51.398 52.037 0.030 0.000 0.743 5 A CB 1.441 20.442 19.000 0.002 0.000 1.258 5 A HN 0.590 nan 8.150 nan 0.000 0.429 6 A N 1.219 124.150 122.820 0.186 0.000 2.386 6 A HA 0.704 3.015 4.320 -3.349 0.000 0.311 6 A C -0.942 176.709 177.584 0.113 0.000 1.068 6 A CA -0.471 51.629 52.037 0.106 0.000 0.743 6 A CB 1.377 20.325 19.000 -0.085 0.000 1.258 6 A HN 1.164 nan 8.150 nan 0.000 0.429 7 V N 2.282 122.256 119.914 0.100 0.000 2.427 7 V HA 0.473 2.584 4.120 -3.349 0.000 0.286 7 V C -0.417 175.704 176.094 0.045 0.000 1.034 7 V CA -0.323 62.037 62.300 0.101 0.000 0.893 7 V CB 1.429 33.320 31.823 0.113 0.000 0.982 7 V HN 0.631 nan 8.190 nan 0.000 0.452 8 V N 4.210 124.165 119.914 0.069 0.000 2.407 8 V HA 0.404 2.514 4.120 -3.349 0.000 0.291 8 V C 0.345 176.506 176.094 0.111 0.000 1.018 8 V CA -0.611 61.719 62.300 0.051 0.000 0.842 8 V CB 2.008 33.853 31.823 0.036 0.000 0.996 8 V HN 0.999 nan 8.190 nan 0.000 0.426 9 T N 0.815 115.415 114.554 0.077 0.000 2.910 9 T HA 0.527 2.868 4.350 -3.349 0.000 0.293 9 T C 1.017 175.865 174.700 0.247 0.000 1.015 9 T CA 0.381 62.572 62.100 0.152 0.000 1.094 9 T CB 1.329 70.142 68.868 -0.093 0.000 0.968 9 T HN 1.986 nan 8.240 nan 0.000 0.521 10 G N 1.221 110.301 108.800 0.467 0.000 2.338 10 G HA2 -0.011 1.940 3.960 -3.349 0.000 0.296 10 G HA3 -0.011 1.940 3.960 -3.349 0.000 0.296 10 G C 0.640 175.629 174.900 0.148 0.000 1.040 10 G CA -0.003 45.245 45.100 0.248 0.000 1.004 10 G HN 1.555 nan 8.290 nan 0.000 0.509 11 A N -0.928 121.980 122.820 0.147 0.000 2.308 11 A HA 0.720 3.031 4.320 -3.349 0.000 0.217 11 A C 2.327 179.944 177.584 0.056 0.000 1.216 11 A CA 1.253 53.346 52.037 0.092 0.000 0.864 11 A CB -0.061 18.999 19.000 0.101 0.000 0.902 11 A HN 1.726 nan 8.150 nan 0.000 0.499 12 A N -0.059 122.793 122.820 0.053 0.000 1.968 12 A HA 0.122 2.432 4.320 -3.349 0.000 0.217 12 A C 1.142 178.723 177.584 -0.006 0.000 1.169 12 A CA 0.989 53.027 52.037 0.002 0.000 0.638 12 A CB 0.064 19.049 19.000 -0.026 0.000 0.812 12 A HN 0.405 nan 8.150 nan 0.000 0.446 13 K N -2.060 118.347 120.400 0.010 0.000 2.444 13 K HA 0.573 2.884 4.320 -3.349 0.000 0.252 13 K C -0.086 176.515 176.600 0.001 0.000 0.993 13 K CA -0.969 55.319 56.287 0.002 0.000 0.847 13 K CB 2.179 34.683 32.500 0.007 0.000 1.340 13 K HN 0.296 nan 8.250 nan 0.000 0.446 14 R N -0.349 120.146 120.500 -0.009 0.000 3.910 14 R HA -0.320 2.010 4.340 -3.349 0.000 0.415 14 R C 1.574 177.863 176.300 -0.019 0.000 0.241 14 R CA 1.540 57.629 56.100 -0.018 0.000 1.327 14 R CB -1.540 28.745 30.300 -0.024 0.000 1.012 14 R HN 0.628 nan 8.270 nan 0.000 0.557 15 I N 0.490 121.044 120.570 -0.027 0.000 2.179 15 I HA -0.214 1.947 4.170 -3.349 0.000 0.242 15 I C 2.553 178.661 176.117 -0.014 0.000 1.088 15 I CA 1.967 63.251 61.300 -0.027 0.000 1.357 15 I CB -0.678 37.297 38.000 -0.042 0.000 1.051 15 I HN 0.764 nan 8.210 nan 0.000 0.409 16 G N 0.407 109.206 108.800 -0.001 0.000 2.440 16 G HA2 -0.291 1.659 3.960 -3.349 0.000 0.218 16 G HA3 -0.291 1.659 3.960 -3.349 0.000 0.218 16 G C 1.782 176.690 174.900 0.014 0.000 1.154 16 G CA 0.746 45.855 45.100 0.014 0.000 0.767 16 G HN 0.280 nan 8.290 nan 0.000 0.552 17 R N 0.510 121.016 120.500 0.010 0.000 2.073 17 R HA -0.007 2.324 4.340 -3.349 0.000 0.234 17 R C 2.906 179.205 176.300 -0.002 0.000 1.134 17 R CA 1.499 57.601 56.100 0.003 0.000 0.952 17 R CB -0.428 29.869 30.300 -0.005 0.000 0.850 17 R HN 0.286 nan 8.270 nan 0.000 0.433 18 A N 0.979 123.796 122.820 -0.006 0.000 1.940 18 A HA -0.165 2.146 4.320 -3.349 0.000 0.219 18 A C 2.141 179.722 177.584 -0.005 0.000 1.176 18 A CA 1.517 53.551 52.037 -0.006 0.000 0.631 18 A CB -0.497 18.497 19.000 -0.011 0.000 0.814 18 A HN 0.375 nan 8.150 nan 0.000 0.446 19 I N -0.376 120.187 120.570 -0.011 0.000 2.202 19 I HA -0.258 1.903 4.170 -3.349 0.000 0.242 19 I C 2.992 179.096 176.117 -0.022 0.000 1.091 19 I CA 1.035 62.321 61.300 -0.023 0.000 1.368 19 I CB -0.376 37.604 38.000 -0.033 0.000 1.058 19 I HN 0.344 nan 8.210 nan 0.000 0.410 20 A N 0.432 123.249 122.820 -0.005 0.000 1.908 20 A HA -0.175 2.136 4.320 -3.349 0.000 0.218 20 A C 2.450 180.057 177.584 0.037 0.000 1.181 20 A CA 1.981 54.026 52.037 0.013 0.000 0.627 20 A CB -1.045 17.970 19.000 0.025 0.000 0.818 20 A HN 0.245 nan 8.150 nan 0.000 0.445 21 V N 0.126 120.055 119.914 0.026 0.000 2.261 21 V HA -0.275 1.835 4.120 -3.349 0.000 0.246 21 V C 2.500 178.639 176.094 0.076 0.000 1.047 21 V CA 2.372 64.698 62.300 0.044 0.000 1.015 21 V CB -0.639 31.195 31.823 0.017 0.000 0.642 21 V HN 0.531 nan 8.190 nan 0.000 0.446 22 K N -0.410 120.014 120.400 0.040 0.000 2.097 22 K HA -0.096 2.215 4.320 -3.349 0.000 0.206 22 K C 2.126 178.752 176.600 0.043 0.000 1.049 22 K CA 1.239 57.548 56.287 0.038 0.000 0.933 22 K CB -0.310 32.199 32.500 0.015 0.000 0.717 22 K HN 0.365 nan 8.250 nan 0.000 0.442 23 L N 0.203 121.429 121.223 0.006 0.000 2.017 23 L HA -0.236 2.095 4.340 -3.349 0.000 0.208 23 L C 2.755 179.713 176.870 0.147 0.000 1.073 23 L CA 1.324 56.146 54.840 -0.030 0.000 0.745 23 L CB -0.644 41.282 42.059 -0.221 0.000 0.894 23 L HN 0.373 nan 8.230 nan 0.000 0.432 24 H N 0.477 119.575 119.070 0.047 0.000 2.353 24 H HA -0.171 2.375 4.556 -3.349 0.000 0.300 24 H C 2.151 177.507 175.328 0.047 0.000 1.090 24 H CA 1.805 57.884 56.048 0.051 0.000 1.327 24 H CB 0.189 29.962 29.762 0.019 0.000 1.383 24 H HN 0.451 nan 8.280 nan 0.000 0.508 25 Q N -0.498 119.375 119.800 0.123 0.000 2.234 25 Q HA -0.088 2.243 4.340 -3.349 0.000 0.206 25 Q C 1.871 177.882 176.000 0.018 0.000 0.980 25 Q CA 1.743 57.582 55.803 0.059 0.000 0.869 25 Q CB 0.126 28.907 28.738 0.072 0.000 0.912 25 Q HN 0.375 nan 8.270 nan 0.000 0.436 26 T N -1.321 113.269 114.554 0.060 0.000 3.088 26 T HA 0.116 2.457 4.350 -3.349 0.000 0.259 26 T C 1.064 175.772 174.700 0.014 0.000 1.122 26 T CA 0.860 63.008 62.100 0.080 0.000 1.095 26 T CB 0.358 69.337 68.868 0.185 0.000 0.930 26 T HN 0.588 nan 8.240 nan 0.000 0.508 27 G N 0.186 108.951 108.800 -0.059 0.000 2.175 27 G HA2 -0.173 1.778 3.960 -3.349 0.000 0.182 27 G HA3 -0.173 1.778 3.960 -3.349 0.000 0.182 27 G C -0.178 174.561 174.900 -0.269 0.000 1.003 27 G CA -0.797 44.186 45.100 -0.195 0.000 0.666 27 G HN 0.460 nan 8.290 nan 0.000 0.506 28 Y N 1.347 121.524 120.300 -0.206 0.000 2.346 28 Y HA 0.592 3.131 4.550 -3.352 0.000 0.330 28 Y C 1.465 177.205 175.900 -0.266 0.000 1.178 28 Y CA -0.195 57.788 58.100 -0.194 0.000 1.331 28 Y CB 0.597 38.991 38.460 -0.109 0.000 1.253 28 Y HN 0.112 nan 8.280 nan 0.000 0.529 29 R N 1.781 122.129 120.500 -0.253 0.000 2.490 29 R HA 0.546 2.877 4.340 -3.349 0.000 0.278 29 R C -1.045 175.058 176.300 -0.328 0.000 1.069 29 R CA -0.752 55.025 56.100 -0.539 0.000 1.080 29 R CB 0.815 30.287 30.300 -1.380 0.000 1.030 29 R HN 0.515 nan 8.270 nan 0.000 0.491 30 V N -0.666 119.186 119.914 -0.103 0.000 2.656 30 V HA 0.491 2.602 4.120 -3.349 0.000 0.307 30 V C -0.326 175.973 176.094 0.343 0.000 1.051 30 V CA -1.032 61.354 62.300 0.143 0.000 0.893 30 V CB 2.008 33.910 31.823 0.132 0.000 0.999 30 V HN 0.393 nan 8.190 nan 0.000 0.426 31 V N 5.863 125.973 119.914 0.328 0.000 2.385 31 V HA 0.416 2.527 4.120 -3.349 0.000 0.269 31 V C 0.232 176.447 176.094 0.201 0.000 1.043 31 V CA -0.151 62.313 62.300 0.274 0.000 0.906 31 V CB 1.064 33.026 31.823 0.231 0.000 0.995 31 V HN 0.796 nan 8.190 nan 0.000 0.467 32 I N 5.794 126.477 120.570 0.189 0.000 2.282 32 I HA 0.232 2.393 4.170 -3.349 0.000 0.290 32 I C 0.617 176.869 176.117 0.224 0.000 1.090 32 I CA -0.172 61.232 61.300 0.172 0.000 1.231 32 I CB -0.006 38.068 38.000 0.124 0.000 1.434 32 I HN 0.675 nan 8.210 nan 0.000 0.487 33 H N 7.858 127.012 119.070 0.140 0.000 2.629 33 H HA 0.268 2.815 4.556 -3.349 0.000 0.357 33 H C -1.402 174.049 175.328 0.204 0.000 1.121 33 H CA 0.064 56.184 56.048 0.119 0.000 1.406 33 H CB 1.136 30.931 29.762 0.055 0.000 1.456 33 H HN 0.568 nan 8.280 nan 0.000 0.579 34 Y N 1.768 121.524 120.300 -0.907 0.000 2.670 34 Y HA 0.263 2.804 4.550 -3.350 0.000 0.334 34 Y C 0.030 175.628 175.900 -0.503 0.000 1.185 34 Y CA -0.898 56.864 58.100 -0.564 0.000 1.053 34 Y CB 1.102 39.440 38.460 -0.203 0.000 1.298 34 Y HN 0.704 nan 8.280 nan 0.000 0.459 35 H N 0.007 118.990 119.070 -0.145 0.000 2.302 35 H HA 0.285 2.832 4.556 -3.349 0.000 0.252 35 H C 0.038 175.423 175.328 0.095 0.000 1.017 35 H CA 0.367 56.362 56.048 -0.089 0.000 1.404 35 H CB 0.661 30.443 29.762 0.034 0.000 1.394 35 H HN 0.721 nan 8.280 nan 0.000 0.560 36 N N 0.443 119.105 118.700 -0.063 0.000 2.322 36 N HA 0.039 2.770 4.740 -3.349 0.000 0.181 36 N C -0.007 175.532 175.510 0.048 0.000 1.088 36 N CA 0.215 53.206 53.050 -0.099 0.000 0.885 36 N CB 0.821 39.205 38.487 -0.172 0.000 1.013 36 N HN 0.035 nan 8.380 nan 0.000 0.472 37 S N 1.173 116.938 115.700 0.108 0.000 3.812 37 S HA 0.339 2.800 4.470 -3.349 0.000 0.195 37 S C 1.348 175.755 174.600 -0.322 0.000 1.460 37 S CA -0.392 57.782 58.200 -0.042 0.000 1.052 37 S CB 0.366 63.557 63.200 -0.016 0.000 1.385 37 S HN 0.309 nan 8.310 nan 0.000 0.490 38 A N 1.829 124.427 122.820 -0.369 0.000 1.877 38 A HA -0.149 2.162 4.320 -3.349 0.000 0.216 38 A C 2.036 179.334 177.584 -0.478 0.000 1.186 38 A CA 1.514 53.115 52.037 -0.727 0.000 0.620 38 A CB -0.443 18.424 19.000 -0.222 0.000 0.822 38 A HN 0.630 nan 8.150 nan 0.000 0.443 39 E N -0.203 119.847 120.200 -0.249 0.000 2.051 39 E HA -0.134 2.207 4.350 -3.349 0.000 0.192 39 E C 2.100 178.600 176.600 -0.166 0.000 0.991 39 E CA 1.200 57.500 56.400 -0.167 0.000 0.799 39 E CB -0.282 29.357 29.700 -0.102 0.000 0.748 39 E HN 0.526 nan 8.360 nan 0.000 0.449 40 A N 0.974 123.694 122.820 -0.167 0.000 1.933 40 A HA -0.073 2.238 4.320 -3.349 0.000 0.218 40 A C 2.370 179.862 177.584 -0.155 0.000 1.175 40 A CA 1.716 53.675 52.037 -0.129 0.000 0.628 40 A CB -0.745 18.199 19.000 -0.094 0.000 0.814 40 A HN 0.424 nan 8.150 nan 0.000 0.444 41 A N -0.212 122.448 122.820 -0.266 0.000 1.877 41 A HA -0.009 2.302 4.320 -3.349 0.000 0.216 41 A C 2.395 179.873 177.584 -0.176 0.000 1.186 41 A CA 2.117 54.001 52.037 -0.254 0.000 0.620 41 A CB -1.178 17.504 19.000 -0.529 0.000 0.822 41 A HN 1.207 nan 8.150 nan 0.000 0.443 42 V N -0.035 119.755 119.914 -0.207 0.000 2.548 42 V HA -0.139 1.972 4.120 -3.349 0.000 0.249 42 V C 2.457 178.503 176.094 -0.080 0.000 1.055 42 V CA 2.695 64.927 62.300 -0.114 0.000 1.065 42 V CB -0.846 30.917 31.823 -0.099 0.000 0.681 42 V HN 0.739 nan 8.190 nan 0.000 0.462 43 S N 0.390 116.037 115.700 -0.088 0.000 2.382 43 S HA -0.162 2.299 4.470 -3.349 0.000 0.228 43 S C 2.163 176.728 174.600 -0.059 0.000 1.027 43 S CA 1.717 59.878 58.200 -0.064 0.000 0.991 43 S CB -0.793 62.371 63.200 -0.061 0.000 0.823 43 S HN 0.606 nan 8.310 nan 0.000 0.469 44 L N 1.519 122.703 121.223 -0.065 0.000 2.017 44 L HA -0.073 2.258 4.340 -3.349 0.000 0.208 44 L C 2.927 179.756 176.870 -0.068 0.000 1.073 44 L CA 2.027 56.830 54.840 -0.062 0.000 0.745 44 L CB -1.416 40.612 42.059 -0.052 0.000 0.894 44 L HN 0.498 nan 8.230 nan 0.000 0.432 45 A N -0.225 122.564 122.820 -0.051 0.000 1.908 45 A HA -0.261 2.050 4.320 -3.349 0.000 0.218 45 A C 1.811 179.372 177.584 -0.038 0.000 1.181 45 A CA 2.005 54.023 52.037 -0.032 0.000 0.627 45 A CB -0.645 18.357 19.000 0.003 0.000 0.818 45 A HN 0.512 nan 8.150 nan 0.000 0.445 46 D N -0.708 119.670 120.400 -0.036 0.000 2.117 46 D HA -0.156 2.475 4.640 -3.349 0.000 0.197 46 D C 1.905 178.182 176.300 -0.038 0.000 0.987 46 D CA 1.443 55.426 54.000 -0.028 0.000 0.829 46 D CB -0.378 40.406 40.800 -0.026 0.000 0.961 46 D HN 0.746 nan 8.370 nan 0.000 0.460 47 E N 0.407 120.575 120.200 -0.054 0.000 2.051 47 E HA -0.148 2.193 4.350 -3.349 0.000 0.192 47 E C 2.200 178.746 176.600 -0.091 0.000 0.991 47 E CA 0.663 57.028 56.400 -0.058 0.000 0.799 47 E CB -0.068 29.597 29.700 -0.058 0.000 0.748 47 E HN 0.237 nan 8.360 nan 0.000 0.449 48 L N 0.798 121.917 121.223 -0.173 0.000 2.109 48 L HA -0.121 2.210 4.340 -3.349 0.000 0.207 48 L C 2.281 179.045 176.870 -0.176 0.000 1.086 48 L CA 0.627 55.241 54.840 -0.377 0.000 0.760 48 L CB -0.489 41.143 42.059 -0.711 0.000 0.910 48 L HN 0.140 nan 8.230 nan 0.000 0.437 49 N N 0.346 119.007 118.700 -0.065 0.000 2.270 49 N HA -0.156 2.575 4.740 -3.349 0.000 0.181 49 N C 1.763 177.293 175.510 0.032 0.000 1.016 49 N CA 0.950 54.015 53.050 0.024 0.000 0.870 49 N CB -0.028 38.480 38.487 0.034 0.000 0.979 49 N HN 0.308 nan 8.380 nan 0.000 0.431 50 K N 1.072 121.477 120.400 0.009 0.000 2.057 50 K HA -0.178 2.133 4.320 -3.349 0.000 0.207 50 K C 1.776 178.395 176.600 0.032 0.000 1.049 50 K CA 1.237 57.534 56.287 0.015 0.000 0.931 50 K CB 0.059 32.560 32.500 0.002 0.000 0.714 50 K HN -0.016 nan 8.250 nan 0.000 0.440 51 E N 0.555 120.780 120.200 0.043 0.000 2.023 51 E HA -0.127 2.213 4.350 -3.349 0.000 0.196 51 E C -0.192 176.472 176.600 0.107 0.000 1.003 51 E CA 1.480 57.932 56.400 0.088 0.000 0.809 51 E CB 0.239 30.028 29.700 0.147 0.000 0.755 51 E HN 0.106 nan 8.360 nan 0.000 0.449 52 R N -0.177 120.413 120.500 0.151 0.000 2.515 52 R HA 0.377 2.708 4.340 -3.349 0.000 0.291 52 R C -1.129 175.239 176.300 0.112 0.000 1.046 52 R CA -0.454 55.714 56.100 0.113 0.000 0.914 52 R CB 2.140 32.495 30.300 0.091 0.000 1.191 52 R HN -0.043 nan 8.270 nan 0.000 0.435 53 S N 2.196 117.941 115.700 0.075 0.000 2.552 53 S HA -0.051 2.410 4.470 -3.349 0.000 0.289 53 S C 0.751 175.410 174.600 0.099 0.000 1.304 53 S CA 0.216 58.461 58.200 0.074 0.000 1.063 53 S CB 0.187 63.419 63.200 0.054 0.000 0.848 53 S HN 0.819 nan 8.310 nan 0.000 0.499 54 N N 0.598 119.370 118.700 0.120 0.000 2.740 54 N HA -0.182 2.548 4.740 -3.349 0.000 0.248 54 N C 0.587 176.253 175.510 0.260 0.000 1.062 54 N CA 1.199 54.356 53.050 0.178 0.000 0.704 54 N CB -1.195 37.379 38.487 0.146 0.000 0.968 54 N HN 0.798 nan 8.380 nan 0.000 0.547 55 T N -4.291 110.399 114.554 0.227 0.000 3.003 55 T HA 0.642 2.983 4.350 -3.349 0.000 0.261 55 T C 0.361 175.181 174.700 0.201 0.000 1.003 55 T CA 0.303 62.492 62.100 0.148 0.000 0.917 55 T CB 0.642 69.623 68.868 0.189 0.000 1.084 55 T HN 0.546 nan 8.240 nan 0.000 0.522 56 A N 1.456 124.453 122.820 0.296 0.000 2.374 56 A HA 0.824 3.135 4.320 -3.349 0.000 0.305 56 A C -0.504 177.248 177.584 0.280 0.000 1.053 56 A CA -0.713 51.485 52.037 0.269 0.000 0.726 56 A CB 1.844 20.883 19.000 0.065 0.000 1.229 56 A HN 0.948 nan 8.150 nan 0.000 0.431 57 V N 0.026 120.111 119.914 0.285 0.000 3.102 57 V HA 0.945 3.056 4.120 -3.349 0.000 0.312 57 V C -0.587 175.593 176.094 0.143 0.000 1.135 57 V CA -0.684 61.703 62.300 0.146 0.000 1.022 57 V CB 1.227 33.064 31.823 0.022 0.000 1.056 57 V HN 0.861 nan 8.190 nan 0.000 0.436 61 A N 3.007 125.745 122.820 -0.136 0.000 2.577 61 A HA 0.508 2.818 4.320 -3.349 0.000 0.297 61 A C -1.666 176.030 177.584 0.186 0.000 1.060 61 A CA -0.628 51.476 52.037 0.111 0.000 0.697 61 A CB 1.591 20.684 19.000 0.155 0.000 1.281 61 A HN 0.566 nan 8.150 nan 0.000 0.402 62 D N 1.601 122.045 120.400 0.073 0.000 2.312 62 D HA 0.414 3.044 4.640 -3.349 0.000 0.252 62 D C 0.353 176.593 176.300 -0.101 0.000 1.150 62 D CA -0.022 53.887 54.000 -0.152 0.000 0.870 62 D CB 0.916 41.676 40.800 -0.066 0.000 1.153 62 D HN 0.403 nan 8.370 nan 0.000 0.457 63 L N 2.754 123.886 121.223 -0.152 0.000 2.769 63 L HA 0.134 2.465 4.340 -3.349 0.000 0.240 63 L C 0.784 177.617 176.870 -0.061 0.000 1.163 63 L CA -0.178 54.610 54.840 -0.086 0.000 0.962 63 L CB 0.148 42.155 42.059 -0.086 0.000 1.258 63 L HN 0.265 nan 8.230 nan 0.000 0.513 64 T N 0.958 115.467 114.554 -0.074 0.000 2.946 64 T HA -0.086 2.255 4.350 -3.349 0.000 0.311 64 T C 0.526 175.223 174.700 -0.006 0.000 1.063 64 T CA 0.171 62.257 62.100 -0.023 0.000 1.139 64 T CB 0.399 69.261 68.868 -0.008 0.000 0.994 64 T HN 0.269 nan 8.240 nan 0.000 0.547 65 N N 1.579 120.284 118.700 0.008 0.000 2.492 65 N HA 0.195 2.926 4.740 -3.349 0.000 0.262 65 N C -0.234 175.285 175.510 0.015 0.000 1.202 65 N CA 0.004 53.062 53.050 0.013 0.000 0.926 65 N CB 0.343 38.838 38.487 0.013 0.000 1.078 65 N HN 0.786 nan 8.380 nan 0.000 0.454 66 S N 2.377 118.086 115.700 0.016 0.000 2.656 66 S HA 0.184 2.645 4.470 -3.349 0.000 0.265 66 S C 0.019 174.629 174.600 0.017 0.000 1.132 66 S CA -0.913 57.297 58.200 0.016 0.000 0.819 66 S CB 0.659 63.868 63.200 0.016 0.000 1.119 66 S HN 0.578 nan 8.310 nan 0.000 0.476 67 N N 0.579 119.289 118.700 0.016 0.000 2.459 67 N HA -0.027 2.703 4.740 -3.349 0.000 0.181 67 N C 1.794 177.313 175.510 0.015 0.000 1.046 67 N CA 1.482 54.541 53.050 0.016 0.000 0.904 67 N CB -0.414 38.081 38.487 0.013 0.000 0.964 67 N HN 0.776 nan 8.380 nan 0.000 0.444 68 V N -2.057 117.865 119.914 0.014 0.000 3.354 68 V HA 0.131 2.242 4.120 -3.349 0.000 0.258 68 V C 2.076 178.176 176.094 0.010 0.000 1.159 68 V CA 0.324 62.631 62.300 0.011 0.000 1.125 68 V CB -0.517 31.313 31.823 0.011 0.000 0.774 68 V HN 0.095 nan 8.190 nan 0.000 0.464 69 L N 0.717 121.948 121.223 0.012 0.000 2.013 69 L HA -0.087 2.243 4.340 -3.349 0.000 0.212 69 L C 0.249 177.124 176.870 0.008 0.000 1.073 69 L CA 2.706 57.552 54.840 0.009 0.000 0.753 69 L CB -1.353 40.715 42.059 0.016 0.000 0.890 69 L HN 0.350 nan 8.230 nan 0.000 0.432 70 P HA -0.184 nan 4.420 nan 0.000 0.216 70 P C 1.401 178.697 177.300 -0.006 0.000 1.153 70 P CA 1.970 65.075 63.100 0.008 0.000 0.858 70 P CB -0.080 31.632 31.700 0.019 0.000 0.789 71 A N -0.888 121.931 122.820 -0.002 0.000 1.898 71 A HA -0.153 2.158 4.320 -3.349 0.000 0.216 71 A C 2.364 179.945 177.584 -0.005 0.000 1.181 71 A CA 2.033 54.067 52.037 -0.006 0.000 0.620 71 A CB -1.495 17.503 19.000 -0.002 0.000 0.819 71 A HN 0.110 nan 8.150 nan 0.000 0.442 72 S N -0.728 114.970 115.700 -0.003 0.000 2.359 72 S HA -0.222 2.239 4.470 -3.349 0.000 0.224 72 S C 1.967 176.561 174.600 -0.011 0.000 1.035 72 S CA 1.563 59.761 58.200 -0.003 0.000 1.018 72 S CB -0.716 62.482 63.200 -0.003 0.000 0.876 72 S HN 0.725 nan 8.310 nan 0.000 0.448 73 C N 1.243 120.530 119.300 -0.021 0.000 2.446 73 C HA -0.032 2.419 4.460 -3.349 0.000 0.277 73 C C 2.692 177.674 174.990 -0.013 0.000 1.275 73 C CA 0.597 59.597 59.018 -0.030 0.000 1.727 73 C CB -1.202 26.514 27.740 -0.040 0.000 2.010 73 C HN 0.688 nan 8.230 nan 0.000 0.486 74 E N 0.739 120.929 120.200 -0.017 0.000 2.118 74 E HA -0.220 2.121 4.350 -3.349 0.000 0.195 74 E C 2.038 178.640 176.600 0.003 0.000 0.992 74 E CA 1.133 57.524 56.400 -0.014 0.000 0.804 74 E CB -0.029 29.654 29.700 -0.029 0.000 0.741 74 E HN 0.532 nan 8.360 nan 0.000 0.458 75 E N 0.376 120.580 120.200 0.006 0.000 2.072 75 E HA -0.139 2.202 4.350 -3.349 0.000 0.190 75 E C 2.222 178.844 176.600 0.036 0.000 0.982 75 E CA 0.704 57.114 56.400 0.016 0.000 0.803 75 E CB -0.158 29.549 29.700 0.011 0.000 0.755 75 E HN 0.436 nan 8.360 nan 0.000 0.453 76 I N 1.154 121.745 120.570 0.035 0.000 2.163 76 I HA -0.291 1.870 4.170 -3.349 0.000 0.243 76 I C 2.273 178.444 176.117 0.090 0.000 1.085 76 I CA 0.862 62.194 61.300 0.054 0.000 1.347 76 I CB -0.285 37.722 38.000 0.013 0.000 1.044 76 I HN 0.086 nan 8.210 nan 0.000 0.408 77 I N 0.740 121.372 120.570 0.103 0.000 2.202 77 I HA -0.243 1.918 4.170 -3.349 0.000 0.242 77 I C 2.220 178.490 176.117 0.255 0.000 1.091 77 I CA 1.545 62.956 61.300 0.186 0.000 1.368 77 I CB -1.629 36.480 38.000 0.182 0.000 1.058 77 I HN 0.316 nan 8.210 nan 0.000 0.410 78 N N 0.793 119.584 118.700 0.152 0.000 2.137 78 N HA -0.185 2.546 4.740 -3.349 0.000 0.190 78 N C 2.063 177.660 175.510 0.145 0.000 1.017 78 N CA 1.587 54.719 53.050 0.135 0.000 0.859 78 N CB -0.426 38.080 38.487 0.031 0.000 1.002 78 N HN 0.297 nan 8.380 nan 0.000 0.428 79 S N 0.110 115.866 115.700 0.093 0.000 2.365 79 S HA -0.177 2.284 4.470 -3.349 0.000 0.225 79 S C 2.381 176.984 174.600 0.004 0.000 1.039 79 S CA 1.363 59.586 58.200 0.040 0.000 1.033 79 S CB -0.761 62.465 63.200 0.043 0.000 0.887 79 S HN 0.539 nan 8.310 nan 0.000 0.447 80 C N 0.331 119.673 119.300 0.070 0.000 2.429 80 C HA 0.028 2.479 4.460 -3.349 0.000 0.277 80 C C 2.256 177.227 174.990 -0.032 0.000 1.262 80 C CA 0.879 59.925 59.018 0.046 0.000 1.733 80 C CB -2.005 25.790 27.740 0.092 0.000 2.010 80 C HN 0.705 nan 8.230 nan 0.000 0.483 81 F N 0.945 120.904 119.950 0.014 0.000 2.186 81 F HA -0.037 2.481 4.527 -3.348 0.000 0.299 81 F C 2.693 178.469 175.800 -0.039 0.000 1.090 81 F CA 1.667 59.666 58.000 -0.000 0.000 1.307 81 F CB -0.408 38.581 39.000 -0.019 0.000 1.019 81 F HN 0.153 nan 8.300 nan 0.000 0.489 82 R N -0.269 120.291 120.500 0.100 0.000 2.092 82 R HA -0.066 2.265 4.340 -3.349 0.000 0.231 82 R C 2.344 178.576 176.300 -0.113 0.000 1.119 82 R CA 1.127 57.228 56.100 0.001 0.000 0.970 82 R CB -0.602 29.689 30.300 -0.015 0.000 0.864 82 R HN 0.272 nan 8.270 nan 0.000 0.440 83 A N -0.110 122.536 122.820 -0.291 0.000 1.898 83 A HA 0.004 2.315 4.320 -3.349 0.000 0.214 83 A C 1.448 178.674 177.584 -0.596 0.000 1.183 83 A CA 0.895 52.549 52.037 -0.639 0.000 0.622 83 A CB -0.036 18.239 19.000 -1.208 0.000 0.824 83 A HN 0.287 nan 8.150 nan 0.000 0.444 84 F N -2.317 117.632 119.950 -0.002 0.000 2.767 84 F HA 0.379 2.898 4.527 -3.347 0.000 0.323 84 F C 1.704 177.475 175.800 -0.047 0.000 1.091 84 F CA 0.321 58.304 58.000 -0.029 0.000 1.192 84 F CB 0.842 39.813 39.000 -0.048 0.000 1.056 84 F HN 0.355 nan 8.300 nan 0.000 0.571 85 G N 2.075 110.932 108.800 0.095 0.000 2.184 85 G HA2 -0.290 1.661 3.960 -3.349 0.000 0.264 85 G HA3 -0.290 1.661 3.960 -3.349 0.000 0.264 85 G C 0.173 175.092 174.900 0.030 0.000 0.975 85 G CA 0.411 45.572 45.100 0.101 0.000 0.642 85 G HN 0.517 nan 8.290 nan 0.000 0.536 86 R N -2.363 117.991 120.500 -0.243 0.000 2.728 86 R HA 0.669 2.999 4.340 -3.349 0.000 0.274 86 R C -1.553 174.228 176.300 -0.865 0.000 1.030 86 R CA -0.443 55.314 56.100 -0.573 0.000 0.876 86 R CB 0.905 31.089 30.300 -0.193 0.000 1.259 86 R HN 0.689 nan 8.270 nan 0.000 0.468 87 C N 1.695 120.467 119.300 -0.880 0.000 2.781 87 C HA 0.381 2.831 4.460 -3.349 0.000 0.348 87 C C -0.000 174.946 174.990 -0.073 0.000 1.051 87 C CA -0.408 58.361 59.018 -0.415 0.000 1.347 87 C CB 0.582 28.056 27.740 -0.444 0.000 1.846 87 C HN 0.941 nan 8.230 nan 0.000 0.473 88 D N 2.048 122.519 120.400 0.119 0.000 2.277 88 D HA 0.121 2.752 4.640 -3.349 0.000 0.209 88 D C 0.221 176.763 176.300 0.403 0.000 0.970 88 D CA 0.982 55.126 54.000 0.238 0.000 0.874 88 D CB 0.919 41.829 40.800 0.183 0.000 0.982 88 D HN 0.379 nan 8.370 nan 0.000 0.504 89 V N 1.750 121.861 119.914 0.327 0.000 2.686 89 V HA 0.288 2.398 4.120 -3.349 0.000 0.306 89 V C -1.049 175.041 176.094 -0.006 0.000 1.065 89 V CA -0.887 61.466 62.300 0.089 0.000 0.894 89 V CB 2.863 34.654 31.823 -0.055 0.000 1.004 89 V HN -0.045 nan 8.190 nan 0.000 0.424 90 L N 6.351 127.403 121.223 -0.285 0.000 2.333 90 L HA 0.775 3.106 4.340 -3.349 0.000 0.280 90 L C -0.764 175.978 176.870 -0.213 0.000 1.004 90 L CA -0.074 54.612 54.840 -0.257 0.000 0.820 90 L CB 1.838 43.620 42.059 -0.463 0.000 1.247 90 L HN 0.434 nan 8.230 nan 0.000 0.416 91 V N 5.039 124.877 119.914 -0.127 0.000 2.357 91 V HA 0.464 2.575 4.120 -3.349 0.000 0.284 91 V C -0.266 175.782 176.094 -0.078 0.000 1.018 91 V CA -0.736 61.501 62.300 -0.106 0.000 0.841 91 V CB 1.257 33.029 31.823 -0.085 0.000 0.991 91 V HN 0.715 nan 8.190 nan 0.000 0.437 92 N N 4.021 122.672 118.700 -0.082 0.000 2.521 92 N HA 0.158 2.889 4.740 -3.349 0.000 0.236 92 N C 0.591 176.079 175.510 -0.037 0.000 1.067 92 N CA 0.067 53.080 53.050 -0.062 0.000 0.939 92 N CB 1.127 39.575 38.487 -0.066 0.000 1.201 92 N HN 0.811 nan 8.380 nan 0.000 0.511 93 N N 1.319 120.010 118.700 -0.014 0.000 2.503 93 N HA 0.079 2.810 4.740 -3.349 0.000 0.210 93 N C 0.152 175.682 175.510 0.032 0.000 1.077 93 N CA -0.194 52.858 53.050 0.004 0.000 0.855 93 N CB 0.318 38.811 38.487 0.010 0.000 1.323 93 N HN 0.396 nan 8.380 nan 0.000 0.452 94 A N 0.366 123.220 122.820 0.056 0.000 2.565 94 A HA 0.390 2.701 4.320 -3.349 0.000 0.237 94 A C -0.009 177.621 177.584 0.077 0.000 1.053 94 A CA 0.471 52.565 52.037 0.094 0.000 0.755 94 A CB -0.101 18.977 19.000 0.129 0.000 0.980 94 A HN 0.279 nan 8.150 nan 0.000 0.506 95 S N 1.138 116.900 115.700 0.105 0.000 2.626 95 S HA 0.577 3.038 4.470 -3.349 0.000 0.275 95 S C -0.416 174.291 174.600 0.178 0.000 1.175 95 S CA 0.038 58.317 58.200 0.132 0.000 0.982 95 S CB 0.764 64.050 63.200 0.142 0.000 1.093 95 S HN 1.957 nan 8.310 nan 0.000 0.472 96 A N 3.616 126.545 122.820 0.182 0.000 2.371 96 A HA 0.783 3.094 4.320 -3.349 0.000 0.257 96 A C -0.667 177.066 177.584 0.248 0.000 1.089 96 A CA -0.263 51.898 52.037 0.207 0.000 0.794 96 A CB 0.062 19.154 19.000 0.154 0.000 1.029 96 A HN 1.361 nan 8.150 nan 0.000 0.488 97 F N 3.307 123.263 119.950 0.011 0.000 2.991 97 F HA 0.549 3.068 4.527 -3.346 0.000 0.355 97 F C -1.491 174.360 175.800 0.085 0.000 1.262 97 F CA -0.502 57.453 58.000 -0.075 0.000 1.127 97 F CB 1.016 39.932 39.000 -0.140 0.000 1.447 97 F HN 0.783 nan 8.300 nan 0.000 0.584 98 Y N 3.872 123.963 120.300 -0.349 0.000 2.662 98 Y HA 0.695 3.237 4.550 -3.348 0.000 0.334 98 Y C -3.253 172.181 175.900 -0.777 0.000 1.185 98 Y CA -2.946 54.898 58.100 -0.427 0.000 1.074 98 Y CB 0.393 38.733 38.460 -0.200 0.000 1.330 98 Y HN 0.237 nan 8.280 nan 0.000 0.458 99 P HA 0.225 nan 4.420 nan 0.000 0.271 99 P C -0.350 176.716 177.300 -0.389 0.000 1.218 99 P CA -0.063 62.349 63.100 -1.146 0.000 0.780 99 P CB 1.192 32.384 31.700 -0.846 0.000 0.901 100 T N -0.941 113.419 114.554 -0.324 0.000 3.305 100 T HA 0.418 2.758 4.350 -3.349 0.000 0.348 100 T C -2.705 171.938 174.700 -0.094 0.000 1.394 100 T CA -2.219 59.812 62.100 -0.114 0.000 1.549 100 T CB -0.197 68.642 68.868 -0.048 0.000 0.962 100 T HN 0.098 nan 8.240 nan 0.000 0.609 101 P HA 0.211 nan 4.420 nan 0.000 0.267 101 P C 0.958 178.242 177.300 -0.027 0.000 1.200 101 P CA -0.478 62.590 63.100 -0.054 0.000 0.772 101 P CB 0.814 32.486 31.700 -0.047 0.000 0.855 102 L N 1.640 122.855 121.223 -0.012 0.000 2.156 102 L HA -0.004 2.327 4.340 -3.349 0.000 0.208 102 L C 1.024 177.891 176.870 -0.005 0.000 1.095 102 L CA 0.846 55.683 54.840 -0.005 0.000 0.770 102 L CB -0.272 41.789 42.059 0.003 0.000 0.914 102 L HN 0.258 nan 8.230 nan 0.000 0.439 103 V N -2.914 116.997 119.914 -0.005 0.000 2.604 103 V HA 0.469 2.579 4.120 -3.349 0.000 0.305 103 V C -0.254 175.835 176.094 -0.007 0.000 1.043 103 V CA -1.066 61.232 62.300 -0.004 0.000 0.888 103 V CB 1.743 33.566 31.823 -0.000 0.000 0.995 103 V HN 0.053 nan 8.190 nan 0.000 0.429 113 G N 1.053 109.821 108.800 -0.053 0.000 3.782 113 G HA2 0.077 2.028 3.960 -3.349 0.000 0.288 113 G HA3 0.077 2.028 3.960 -3.349 0.000 0.288 113 G C 0.425 175.302 174.900 -0.037 0.000 1.300 113 G CA -0.150 44.926 45.100 -0.040 0.000 1.261 113 G HN 0.090 nan 8.290 nan 0.000 0.591 114 K N 1.873 122.240 120.400 -0.055 0.000 2.447 114 K HA 0.154 2.465 4.320 -3.349 0.000 0.281 114 K C 1.133 177.724 176.600 -0.015 0.000 1.031 114 K CA 0.063 56.327 56.287 -0.039 0.000 1.019 114 K CB 0.559 33.018 32.500 -0.069 0.000 0.918 114 K HN 0.401 nan 8.250 nan 0.000 0.476 115 T N -0.547 114.007 114.554 0.000 0.000 2.900 115 T HA -0.022 2.319 4.350 -3.349 0.000 0.307 115 T C 1.314 176.027 174.700 0.022 0.000 1.065 115 T CA -0.773 61.331 62.100 0.008 0.000 1.105 115 T CB 1.315 70.189 68.868 0.009 0.000 0.979 115 T HN 0.333 nan 8.240 nan 0.000 0.544 116 V N 1.147 121.073 119.914 0.020 0.000 2.392 116 V HA -0.120 1.991 4.120 -3.349 0.000 0.249 116 V C 2.505 178.620 176.094 0.034 0.000 1.059 116 V CA 1.952 64.269 62.300 0.029 0.000 1.051 116 V CB -0.839 30.993 31.823 0.016 0.000 0.658 116 V HN 0.917 nan 8.190 nan 0.000 0.455 117 E N -0.156 120.059 120.200 0.025 0.000 2.204 117 E HA -0.125 2.215 4.350 -3.349 0.000 0.194 117 E C 2.232 178.854 176.600 0.036 0.000 0.989 117 E CA 1.627 58.042 56.400 0.025 0.000 0.824 117 E CB -0.404 29.306 29.700 0.016 0.000 0.756 117 E HN 0.687 nan 8.360 nan 0.000 0.477 118 T N 1.401 115.981 114.554 0.044 0.000 2.737 118 T HA -0.139 2.202 4.350 -3.349 0.000 0.265 118 T C 1.906 176.667 174.700 0.102 0.000 1.038 118 T CA 1.091 63.227 62.100 0.060 0.000 1.144 118 T CB -0.109 68.789 68.868 0.050 0.000 0.866 118 T HN 0.225 nan 8.240 nan 0.000 0.434 119 Q N 0.383 120.259 119.800 0.126 0.000 2.077 119 Q HA -0.110 2.221 4.340 -3.349 0.000 0.206 119 Q C 2.552 178.610 176.000 0.096 0.000 0.989 119 Q CA 1.350 57.271 55.803 0.197 0.000 0.853 119 Q CB -0.568 28.291 28.738 0.203 0.000 0.907 119 Q HN 0.336 nan 8.270 nan 0.000 0.418 120 V N 1.090 121.037 119.914 0.056 0.000 2.233 120 V HA -0.334 1.777 4.120 -3.349 0.000 0.247 120 V C 2.338 178.447 176.094 0.026 0.000 1.050 120 V CA 1.956 64.272 62.300 0.026 0.000 1.010 120 V CB -1.186 30.647 31.823 0.016 0.000 0.637 120 V HN 0.459 nan 8.190 nan 0.000 0.444 121 A N -0.510 122.332 122.820 0.036 0.000 1.892 121 A HA -0.307 2.004 4.320 -3.349 0.000 0.218 121 A C 2.181 179.789 177.584 0.039 0.000 1.188 121 A CA 2.351 54.408 52.037 0.033 0.000 0.631 121 A CB -0.549 18.472 19.000 0.036 0.000 0.822 121 A HN 0.672 nan 8.150 nan 0.000 0.447 122 E N -0.589 119.653 120.200 0.069 0.000 2.046 122 E HA -0.065 2.275 4.350 -3.349 0.000 0.190 122 E C 2.046 178.675 176.600 0.048 0.000 0.982 122 E CA 1.122 57.574 56.400 0.086 0.000 0.800 122 E CB -0.220 29.596 29.700 0.193 0.000 0.756 122 E HN 0.619 nan 8.360 nan 0.000 0.449 123 L N 0.713 121.940 121.223 0.007 0.000 2.095 123 L HA -0.102 2.229 4.340 -3.349 0.000 0.204 123 L C 2.287 179.154 176.870 -0.005 0.000 1.080 123 L CA 0.446 55.266 54.840 -0.032 0.000 0.759 123 L CB -0.145 41.848 42.059 -0.110 0.000 0.914 123 L HN 0.180 nan 8.230 nan 0.000 0.439 124 I N -0.215 120.351 120.570 -0.007 0.000 2.480 124 I HA -0.050 2.111 4.170 -3.349 0.000 0.251 124 I C 2.609 178.723 176.117 -0.006 0.000 1.124 124 I CA 1.275 62.566 61.300 -0.014 0.000 1.444 124 I CB -1.812 36.176 38.000 -0.019 0.000 1.098 124 I HN 0.197 nan 8.210 nan 0.000 0.428 125 G N 1.656 110.459 108.800 0.005 0.000 2.453 125 G HA2 -0.294 1.657 3.960 -3.349 0.000 0.215 125 G HA3 -0.294 1.657 3.960 -3.349 0.000 0.215 125 G C 1.765 176.669 174.900 0.007 0.000 1.201 125 G CA 1.947 47.052 45.100 0.009 0.000 0.784 125 G HN 0.458 nan 8.290 nan 0.000 0.545 126 T N -1.029 113.531 114.554 0.011 0.000 2.777 126 T HA -0.070 2.271 4.350 -3.349 0.000 0.266 126 T C 2.044 176.752 174.700 0.014 0.000 1.040 126 T CA 1.430 63.538 62.100 0.014 0.000 1.141 126 T CB -0.256 68.636 68.868 0.041 0.000 0.868 126 T HN 0.204 nan 8.240 nan 0.000 0.444 127 N N 1.207 119.915 118.700 0.013 0.000 2.416 127 N HA 0.291 3.022 4.740 -3.349 0.000 0.177 127 N C 1.610 177.107 175.510 -0.023 0.000 1.036 127 N CA 1.058 54.102 53.050 -0.010 0.000 0.901 127 N CB 0.260 38.721 38.487 -0.043 0.000 0.976 127 N HN 0.667 nan 8.380 nan 0.000 0.444 128 A N -0.080 122.735 122.820 -0.008 0.000 1.786 128 A HA 0.298 2.609 4.320 -3.349 0.000 0.208 128 A C 1.850 179.462 177.584 0.047 0.000 1.787 128 A CA -0.173 51.865 52.037 0.001 0.000 1.125 128 A CB -0.141 18.843 19.000 -0.026 0.000 1.082 128 A HN -0.003 nan 8.150 nan 0.000 0.534 129 I N 0.856 121.450 120.570 0.040 0.000 2.233 129 I HA -0.118 2.043 4.170 -3.349 0.000 0.243 129 I C 2.884 179.088 176.117 0.146 0.000 1.093 129 I CA 1.171 62.529 61.300 0.097 0.000 1.380 129 I CB -0.240 37.788 38.000 0.047 0.000 1.067 129 I HN 0.339 nan 8.210 nan 0.000 0.413 130 A N 1.383 124.240 122.820 0.061 0.000 1.865 130 A HA -0.126 2.185 4.320 -3.349 0.000 0.217 130 A C 0.139 177.731 177.584 0.012 0.000 1.191 130 A CA 1.848 53.896 52.037 0.019 0.000 0.623 130 A CB -2.028 16.953 19.000 -0.031 0.000 0.826 130 A HN 0.237 nan 8.150 nan 0.000 0.444 131 P HA -0.220 nan 4.420 nan 0.000 0.216 131 P C 1.502 178.827 177.300 0.042 0.000 1.154 131 P CA 1.544 64.649 63.100 0.008 0.000 0.865 131 P CB -0.190 31.517 31.700 0.011 0.000 0.789 132 F N -0.226 119.701 119.950 -0.039 0.000 2.146 132 F HA -0.120 2.397 4.527 -3.350 0.000 0.298 132 F C 1.881 177.670 175.800 -0.019 0.000 1.096 132 F CA 1.383 59.366 58.000 -0.028 0.000 1.275 132 F CB -0.846 38.141 39.000 -0.023 0.000 1.008 132 F HN -0.246 nan 8.300 nan 0.000 0.480 133 L N -0.108 121.012 121.223 -0.171 0.000 2.109 133 L HA -0.162 2.168 4.340 -3.349 0.000 0.207 133 L C 2.449 179.205 176.870 -0.190 0.000 1.086 133 L CA 0.908 55.593 54.840 -0.258 0.000 0.760 133 L CB -0.731 41.306 42.059 -0.036 0.000 0.910 133 L HN 0.214 nan 8.230 nan 0.000 0.437 134 L N -0.750 120.409 121.223 -0.108 0.000 2.083 134 L HA -0.199 2.132 4.340 -3.349 0.000 0.209 134 L C 2.618 179.462 176.870 -0.045 0.000 1.083 134 L CA 1.416 56.220 54.840 -0.060 0.000 0.752 134 L CB -0.812 41.212 42.059 -0.058 0.000 0.899 134 L HN 0.251 nan 8.230 nan 0.000 0.433 135 T N -0.531 113.955 114.554 -0.113 0.000 2.708 135 T HA -0.217 2.123 4.350 -3.349 0.000 0.266 135 T C 1.947 176.585 174.700 -0.103 0.000 1.037 135 T CA 1.408 63.447 62.100 -0.102 0.000 1.146 135 T CB -0.169 68.623 68.868 -0.126 0.000 0.865 135 T HN 0.205 nan 8.240 nan 0.000 0.435 136 M N 0.992 120.426 119.600 -0.277 0.000 2.082 136 M HA -0.146 2.324 4.480 -3.349 0.000 0.258 136 M C 2.711 178.929 176.300 -0.137 0.000 1.071 136 M CA 1.583 56.721 55.300 -0.269 0.000 1.103 136 M CB -0.499 31.855 32.600 -0.410 0.000 1.307 136 M HN 0.175 nan 8.290 nan 0.000 0.409 137 S N 0.131 115.772 115.700 -0.099 0.000 2.368 137 S HA -0.158 2.303 4.470 -3.349 0.000 0.225 137 S C 1.586 176.192 174.600 0.011 0.000 1.030 137 S CA 1.325 59.495 58.200 -0.050 0.000 0.999 137 S CB -0.530 62.654 63.200 -0.027 0.000 0.844 137 S HN 0.427 nan 8.310 nan 0.000 0.459 138 F N 2.512 122.424 119.950 -0.063 0.000 2.069 138 F HA -0.196 2.323 4.527 -3.346 0.000 0.298 138 F C 2.363 178.134 175.800 -0.048 0.000 1.113 138 F CA 1.356 59.352 58.000 -0.006 0.000 1.214 138 F CB -0.679 38.312 39.000 -0.015 0.000 0.978 138 F HN 0.185 nan 8.300 nan 0.000 0.474 139 A N -0.290 122.588 122.820 0.097 0.000 1.908 139 A HA -0.278 2.032 4.320 -3.349 0.000 0.218 139 A C 2.064 179.490 177.584 -0.264 0.000 1.181 139 A CA 1.826 53.790 52.037 -0.122 0.000 0.627 139 A CB -1.082 17.826 19.000 -0.152 0.000 0.818 139 A HN 0.537 nan 8.150 nan 0.000 0.445 140 Q N -0.286 119.394 119.800 -0.200 0.000 2.112 140 Q HA -0.151 2.180 4.340 -3.349 0.000 0.206 140 Q C 2.080 177.946 176.000 -0.223 0.000 0.987 140 Q CA 1.710 57.395 55.803 -0.196 0.000 0.858 140 Q CB -0.228 28.419 28.738 -0.153 0.000 0.905 140 Q HN 0.512 nan 8.270 nan 0.000 0.420 141 R N -0.400 119.941 120.500 -0.265 0.000 2.235 141 R HA 0.007 2.338 4.340 -3.349 0.000 0.213 141 R C 1.410 177.551 176.300 -0.265 0.000 1.059 141 R CA 0.679 56.557 56.100 -0.369 0.000 0.997 141 R CB 0.192 30.153 30.300 -0.566 0.000 0.884 141 R HN 0.421 nan 8.270 nan 0.000 0.462 142 Q N 0.287 119.941 119.800 -0.243 0.000 2.319 142 Q HA 0.086 2.417 4.340 -3.349 0.000 0.209 142 Q C 0.596 176.530 176.000 -0.110 0.000 0.884 142 Q CA -0.176 55.527 55.803 -0.166 0.000 0.938 142 Q CB 0.466 29.074 28.738 -0.216 0.000 1.098 142 Q HN 0.201 nan 8.270 nan 0.000 0.517 151 S N 1.418 117.124 115.700 0.009 0.000 2.601 151 S HA 0.429 2.890 4.470 -3.349 0.000 0.244 151 S C 0.696 175.298 174.600 0.003 0.000 1.001 151 S CA 0.005 58.207 58.200 0.003 0.000 0.984 151 S CB 0.032 63.229 63.200 -0.005 0.000 0.842 151 S HN 0.896 nan 8.310 nan 0.000 0.474 152 S N 1.566 117.275 115.700 0.015 0.000 2.578 152 S HA 0.605 3.065 4.470 -3.349 0.000 0.283 152 S C -0.496 174.125 174.600 0.034 0.000 1.195 152 S CA -0.674 57.539 58.200 0.023 0.000 1.050 152 S CB 1.076 64.297 63.200 0.034 0.000 1.012 152 S HN 0.277 nan 8.310 nan 0.000 0.511 153 N N 2.342 121.068 118.700 0.044 0.000 2.762 153 N HA 0.318 3.049 4.740 -3.349 0.000 0.252 153 N C -1.433 174.137 175.510 0.099 0.000 1.269 153 N CA -0.426 52.659 53.050 0.058 0.000 0.799 153 N CB -0.012 38.500 38.487 0.042 0.000 1.173 153 N HN 0.724 nan 8.380 nan 0.000 0.516 154 L N 1.397 122.695 121.223 0.124 0.000 2.292 154 L HA 0.628 2.959 4.340 -3.349 0.000 0.284 154 L C 0.416 177.385 176.870 0.166 0.000 1.065 154 L CA -0.491 54.478 54.840 0.215 0.000 0.806 154 L CB 1.191 43.408 42.059 0.263 0.000 1.175 154 L HN 0.537 nan 8.230 nan 0.000 0.431 155 S N 3.081 118.853 115.700 0.120 0.000 2.587 155 S HA 0.724 3.185 4.470 -3.349 0.000 0.269 155 S C -1.122 173.337 174.600 -0.236 0.000 1.154 155 S CA -0.903 57.272 58.200 -0.041 0.000 0.824 155 S CB 1.535 64.709 63.200 -0.044 0.000 1.118 155 S HN 0.421 nan 8.310 nan 0.000 0.462 156 I N 1.336 121.753 120.570 -0.255 0.000 2.509 156 I HA 0.624 2.785 4.170 -3.349 0.000 0.293 156 I C -1.173 174.832 176.117 -0.186 0.000 1.020 156 I CA -1.161 59.949 61.300 -0.317 0.000 1.088 156 I CB 2.253 40.036 38.000 -0.362 0.000 1.267 156 I HN 0.526 nan 8.210 nan 0.000 0.430 157 V N 5.036 124.850 119.914 -0.168 0.000 2.444 157 V HA 0.406 2.517 4.120 -3.349 0.000 0.294 157 V C -0.527 175.507 176.094 -0.100 0.000 1.022 157 V CA -0.777 61.454 62.300 -0.114 0.000 0.850 157 V CB 1.655 33.418 31.823 -0.100 0.000 0.992 157 V HN 0.628 nan 8.190 nan 0.000 0.426 158 N N 4.029 122.682 118.700 -0.079 0.000 2.421 158 N HA 0.538 3.269 4.740 -3.349 0.000 0.285 158 N C -0.748 174.729 175.510 -0.054 0.000 1.027 158 N CA -0.461 52.549 53.050 -0.066 0.000 0.918 158 N CB 2.361 40.812 38.487 -0.060 0.000 1.152 158 N HN 0.492 nan 8.380 nan 0.000 0.485 159 L N 2.318 123.513 121.223 -0.048 0.000 2.325 159 L HA 0.239 2.569 4.340 -3.349 0.000 0.284 159 L C 0.430 177.273 176.870 -0.045 0.000 1.089 159 L CA -0.087 54.727 54.840 -0.042 0.000 0.836 159 L CB 0.109 42.147 42.059 -0.035 0.000 1.184 159 L HN 0.544 nan 8.230 nan 0.000 0.444 160 C N 1.481 120.749 119.300 -0.052 0.000 1.860 160 C HA 0.528 2.979 4.460 -3.349 0.000 0.305 160 C C 0.089 175.045 174.990 -0.057 0.000 2.992 160 C CA -0.500 58.477 59.018 -0.069 0.000 1.874 160 C CB 0.993 28.687 27.740 -0.076 0.000 2.420 160 C HN 0.741 nan 8.230 nan 0.000 0.313 161 D N -1.255 119.104 120.400 -0.068 0.000 2.891 161 D HA 0.396 3.027 4.640 -3.349 0.000 0.224 161 D C 0.139 176.411 176.300 -0.046 0.000 1.321 161 D CA -0.166 53.811 54.000 -0.039 0.000 0.929 161 D CB 1.703 42.501 40.800 -0.002 0.000 1.551 161 D HN 0.532 nan 8.370 nan 0.000 0.574 162 A N 3.809 126.609 122.820 -0.032 0.000 2.121 162 A HA -0.078 2.233 4.320 -3.349 0.000 0.218 162 A C 1.494 179.077 177.584 -0.002 0.000 1.154 162 A CA 0.932 52.956 52.037 -0.021 0.000 0.679 162 A CB -0.148 18.844 19.000 -0.014 0.000 0.795 162 A HN 0.563 nan 8.150 nan 0.000 0.458 163 M N -0.581 119.027 119.600 0.013 0.000 2.475 163 M HA 0.156 2.627 4.480 -3.349 0.000 0.261 163 M C 1.486 177.823 176.300 0.061 0.000 1.177 163 M CA 0.100 55.430 55.300 0.049 0.000 0.979 163 M CB -0.379 32.262 32.600 0.069 0.000 1.482 163 M HN 0.207 nan 8.290 nan 0.000 0.484 164 V N 1.397 121.315 119.914 0.006 0.000 2.594 164 V HA -0.208 1.903 4.120 -3.349 0.000 0.253 164 V C 1.146 177.307 176.094 0.110 0.000 1.069 164 V CA 1.997 64.280 62.300 -0.028 0.000 1.082 164 V CB -0.084 31.579 31.823 -0.266 0.000 0.680 164 V HN 0.383 nan 8.190 nan 0.000 0.469 165 D N -0.834 119.627 120.400 0.101 0.000 2.369 165 D HA 0.143 2.774 4.640 -3.349 0.000 0.211 165 D C 0.597 176.967 176.300 0.117 0.000 1.077 165 D CA 0.186 54.278 54.000 0.153 0.000 0.842 165 D CB 0.470 41.340 40.800 0.117 0.000 0.947 165 D HN 0.530 nan 8.370 nan 0.000 0.509 166 Q N 1.398 121.264 119.800 0.111 0.000 3.075 166 Q HA 0.218 2.548 4.340 -3.349 0.000 0.318 166 Q C -2.298 173.781 176.000 0.131 0.000 0.907 166 Q CA -1.310 54.558 55.803 0.109 0.000 0.882 166 Q CB 2.082 30.879 28.738 0.099 0.000 1.386 166 Q HN 0.080 nan 8.270 nan 0.000 0.408 170 A N 3.129 126.055 122.820 0.177 0.000 2.945 170 A HA -0.182 2.129 4.320 -3.349 0.000 0.251 170 A C -0.379 177.133 177.584 -0.120 0.000 1.355 170 A CA 1.613 53.666 52.037 0.027 0.000 0.905 170 A CB -2.600 16.374 19.000 -0.043 0.000 1.104 170 A HN 1.039 nan 8.150 nan 0.000 0.733 171 F N 0.796 120.768 119.950 0.036 0.000 2.923 171 F HA 0.246 2.765 4.527 -3.347 0.000 0.314 171 F C 1.827 177.687 175.800 0.101 0.000 1.196 171 F CA 0.607 58.632 58.000 0.042 0.000 1.320 171 F CB 0.357 39.390 39.000 0.055 0.000 0.953 171 F HN 0.416 nan 8.300 nan 0.000 0.505 172 S N -0.571 115.214 115.700 0.143 0.000 2.368 172 S HA -0.174 2.287 4.470 -3.349 0.000 0.225 172 S C 1.959 176.610 174.600 0.085 0.000 1.030 172 S CA 1.030 59.296 58.200 0.110 0.000 0.999 172 S CB -0.461 62.772 63.200 0.055 0.000 0.844 172 S HN 0.490 nan 8.310 nan 0.000 0.459 173 L N -0.302 120.953 121.223 0.054 0.000 2.056 173 L HA -0.031 2.300 4.340 -3.349 0.000 0.207 173 L C 2.664 179.564 176.870 0.049 0.000 1.078 173 L CA 1.831 56.686 54.840 0.025 0.000 0.749 173 L CB -0.664 41.389 42.059 -0.010 0.000 0.901 173 L HN 0.376 nan 8.230 nan 0.000 0.433 174 Y N 0.977 121.274 120.300 -0.005 0.000 2.081 174 Y HA -0.353 2.187 4.550 -3.350 0.000 0.280 174 Y C 2.525 178.489 175.900 0.106 0.000 1.163 174 Y CA 2.174 60.311 58.100 0.061 0.000 1.135 174 Y CB -0.518 38.048 38.460 0.176 0.000 0.970 174 Y HN 0.218 nan 8.280 nan 0.000 0.498 175 N N -0.101 118.637 118.700 0.063 0.000 2.166 175 N HA -0.218 2.513 4.740 -3.349 0.000 0.186 175 N C 1.819 177.335 175.510 0.009 0.000 1.019 175 N CA 1.746 54.803 53.050 0.011 0.000 0.856 175 N CB -0.192 38.406 38.487 0.185 0.000 0.993 175 N HN 0.490 nan 8.380 nan 0.000 0.426 176 M N 0.117 119.721 119.600 0.006 0.000 2.117 176 M HA -0.063 2.407 4.480 -3.349 0.000 0.262 176 M C 2.355 178.639 176.300 -0.027 0.000 1.065 176 M CA 1.576 56.876 55.300 0.000 0.000 1.114 176 M CB -0.524 32.068 32.600 -0.014 0.000 1.361 176 M HN 0.186 nan 8.290 nan 0.000 0.408 177 G N 0.737 109.484 108.800 -0.088 0.000 2.491 177 G HA2 -0.231 1.720 3.960 -3.349 0.000 0.218 177 G HA3 -0.231 1.720 3.960 -3.349 0.000 0.218 177 G C 1.648 176.454 174.900 -0.156 0.000 1.180 177 G CA 0.950 45.978 45.100 -0.120 0.000 0.774 177 G HN 0.233 nan 8.290 nan 0.000 0.562 178 K N 0.076 120.306 120.400 -0.283 0.000 2.097 178 K HA -0.029 2.282 4.320 -3.349 0.000 0.205 178 K C 2.106 178.608 176.600 -0.162 0.000 1.050 178 K CA 0.753 56.882 56.287 -0.264 0.000 0.938 178 K CB -0.674 31.587 32.500 -0.398 0.000 0.718 178 K HN 0.441 nan 8.250 nan 0.000 0.442 179 H N 0.349 119.344 119.070 -0.125 0.000 2.353 179 H HA -0.025 2.524 4.556 -3.346 0.000 0.300 179 H C 1.842 177.131 175.328 -0.065 0.000 1.090 179 H CA 1.542 57.545 56.048 -0.075 0.000 1.327 179 H CB 0.214 29.943 29.762 -0.056 0.000 1.383 179 H HN 0.184 nan 8.280 nan 0.000 0.508 180 A N 0.870 123.717 122.820 0.044 0.000 1.933 180 A HA -0.136 2.174 4.320 -3.349 0.000 0.218 180 A C 2.470 180.044 177.584 -0.017 0.000 1.175 180 A CA 1.099 53.136 52.037 -0.000 0.000 0.628 180 A CB -0.655 18.328 19.000 -0.028 0.000 0.814 180 A HN 0.295 nan 8.150 nan 0.000 0.444 181 L N -0.104 121.095 121.223 -0.040 0.000 2.083 181 L HA -0.099 2.232 4.340 -3.349 0.000 0.209 181 L C 2.406 179.250 176.870 -0.043 0.000 1.083 181 L CA 1.684 56.498 54.840 -0.042 0.000 0.752 181 L CB -0.483 41.537 42.059 -0.065 0.000 0.899 181 L HN 0.168 nan 8.230 nan 0.000 0.433 182 V N -0.015 119.859 119.914 -0.066 0.000 2.287 182 V HA -0.273 1.838 4.120 -3.349 0.000 0.248 182 V C 2.619 178.700 176.094 -0.023 0.000 1.053 182 V CA 1.934 64.197 62.300 -0.062 0.000 1.027 182 V CB -1.747 30.011 31.823 -0.108 0.000 0.646 182 V HN 0.618 nan 8.190 nan 0.000 0.447 183 G N -0.168 108.630 108.800 -0.003 0.000 2.446 183 G HA2 -0.287 1.664 3.960 -3.349 0.000 0.217 183 G HA3 -0.287 1.664 3.960 -3.349 0.000 0.217 183 G C 1.599 176.506 174.900 0.013 0.000 1.168 183 G CA 1.289 46.394 45.100 0.010 0.000 0.771 183 G HN 0.455 nan 8.290 nan 0.000 0.551 184 L N 0.995 122.227 121.223 0.016 0.000 2.017 184 L HA -0.026 2.305 4.340 -3.349 0.000 0.208 184 L C 2.926 179.813 176.870 0.029 0.000 1.073 184 L CA 2.737 57.605 54.840 0.046 0.000 0.745 184 L CB -1.062 41.039 42.059 0.070 0.000 0.894 184 L HN 0.209 nan 8.230 nan 0.000 0.432 185 T N -0.546 114.009 114.554 0.002 0.000 2.665 185 T HA -0.277 2.064 4.350 -3.349 0.000 0.268 185 T C 1.825 176.521 174.700 -0.005 0.000 1.035 185 T CA 2.123 64.215 62.100 -0.013 0.000 1.151 185 T CB -0.301 68.550 68.868 -0.028 0.000 0.862 185 T HN 0.505 nan 8.240 nan 0.000 0.438 186 Q N 0.482 120.281 119.800 -0.001 0.000 2.046 186 Q HA -0.028 2.303 4.340 -3.349 0.000 0.200 186 Q C 2.845 178.853 176.000 0.014 0.000 0.975 186 Q CA 1.409 57.214 55.803 0.003 0.000 0.836 186 Q CB -0.184 28.556 28.738 0.004 0.000 0.896 186 Q HN 0.382 nan 8.270 nan 0.000 0.428 187 S N 0.797 116.512 115.700 0.025 0.000 2.359 187 S HA -0.188 2.273 4.470 -3.349 0.000 0.224 187 S C 2.053 176.682 174.600 0.049 0.000 1.035 187 S CA 1.155 59.379 58.200 0.040 0.000 1.018 187 S CB -0.324 62.908 63.200 0.053 0.000 0.876 187 S HN 0.504 nan 8.310 nan 0.000 0.448 188 A N 1.445 124.295 122.820 0.049 0.000 1.930 188 A HA 0.204 2.515 4.320 -3.349 0.000 0.217 188 A C 2.350 179.955 177.584 0.035 0.000 1.175 188 A CA 1.547 53.611 52.037 0.046 0.000 0.627 188 A CB -1.050 17.968 19.000 0.029 0.000 0.815 188 A HN 0.500 nan 8.150 nan 0.000 0.443 189 A N -0.340 122.489 122.820 0.015 0.000 1.908 189 A HA -0.127 2.184 4.320 -3.349 0.000 0.218 189 A C 2.224 179.816 177.584 0.012 0.000 1.181 189 A CA 1.668 53.707 52.037 0.003 0.000 0.627 189 A CB -0.588 18.404 19.000 -0.014 0.000 0.818 189 A HN 0.498 nan 8.150 nan 0.000 0.445 190 L N -1.211 120.022 121.223 0.017 0.000 2.044 190 L HA -0.135 2.196 4.340 -3.349 0.000 0.205 190 L C 2.676 179.570 176.870 0.040 0.000 1.075 190 L CA 1.855 56.706 54.840 0.018 0.000 0.747 190 L CB -0.237 41.832 42.059 0.017 0.000 0.903 190 L HN 0.619 nan 8.230 nan 0.000 0.435 191 E N -0.225 120.013 120.200 0.063 0.000 2.152 191 E HA -0.175 2.166 4.350 -3.349 0.000 0.192 191 E C 2.049 178.752 176.600 0.172 0.000 0.983 191 E CA 0.768 57.228 56.400 0.099 0.000 0.818 191 E CB 0.127 29.887 29.700 0.100 0.000 0.758 191 E HN 0.494 nan 8.360 nan 0.000 0.467 192 L N -0.159 121.163 121.223 0.165 0.000 2.529 192 L HA 0.212 2.543 4.340 -3.349 0.000 0.223 192 L C 2.383 179.397 176.870 0.241 0.000 1.113 192 L CA 0.290 55.295 54.840 0.274 0.000 0.861 192 L CB -0.070 42.087 42.059 0.163 0.000 1.012 192 L HN 0.137 nan 8.230 nan 0.000 0.461 193 A N 1.541 124.425 122.820 0.107 0.000 1.927 193 A HA -0.158 2.153 4.320 -3.349 0.000 0.220 193 A C -0.089 177.504 177.584 0.014 0.000 1.185 193 A CA 1.760 53.822 52.037 0.042 0.000 0.639 193 A CB -1.709 17.286 19.000 -0.009 0.000 0.820 193 A HN 0.287 nan 8.150 nan 0.000 0.451 194 P HA -0.117 nan 4.420 nan 0.000 0.225 194 P C 0.318 177.457 177.300 -0.268 0.000 1.148 194 P CA 0.966 63.946 63.100 -0.201 0.000 0.779 194 P CB -0.168 31.325 31.700 -0.345 0.000 0.780 195 Y N -1.949 118.361 120.300 0.017 0.000 2.457 195 Y HA 0.355 2.894 4.550 -3.351 0.000 0.263 195 Y C 1.875 177.794 175.900 0.031 0.000 1.164 195 Y CA 0.354 58.468 58.100 0.023 0.000 1.274 195 Y CB -0.418 38.061 38.460 0.032 0.000 1.097 195 Y HN -0.037 nan 8.280 nan 0.000 0.523 196 G N 1.085 109.967 108.800 0.137 0.000 2.148 196 G HA2 -0.310 1.641 3.960 -3.349 0.000 0.254 196 G HA3 -0.310 1.641 3.960 -3.349 0.000 0.254 196 G C -0.001 174.971 174.900 0.119 0.000 0.981 196 G CA 0.061 45.219 45.100 0.098 0.000 0.670 196 G HN 0.349 nan 8.290 nan 0.000 0.528 197 I N 1.191 121.859 120.570 0.163 0.000 2.301 197 I HA 0.359 2.520 4.170 -3.349 0.000 0.292 197 I C 0.963 177.129 176.117 0.082 0.000 1.046 197 I CA -0.622 60.775 61.300 0.162 0.000 1.282 197 I CB 0.723 38.863 38.000 0.234 0.000 1.409 197 I HN 0.040 nan 8.210 nan 0.000 0.484 198 R N 4.958 125.481 120.500 0.037 0.000 2.457 198 R HA 0.680 3.011 4.340 -3.349 0.000 0.284 198 R C -1.040 175.236 176.300 -0.040 0.000 1.024 198 R CA -0.663 55.429 56.100 -0.013 0.000 1.025 198 R CB 1.677 31.956 30.300 -0.035 0.000 1.063 198 R HN 0.347 nan 8.270 nan 0.000 0.493 199 V N 3.156 123.041 119.914 -0.047 0.000 2.524 199 V HA 0.390 2.501 4.120 -3.349 0.000 0.297 199 V C -0.568 175.492 176.094 -0.056 0.000 1.035 199 V CA -0.909 61.353 62.300 -0.064 0.000 0.867 199 V CB 1.488 33.282 31.823 -0.049 0.000 1.004 199 V HN 0.804 nan 8.190 nan 0.000 0.426 200 N N 2.059 120.720 118.700 -0.065 0.000 2.697 200 N HA 0.774 3.505 4.740 -3.349 0.000 0.272 200 N C -0.404 175.078 175.510 -0.047 0.000 1.381 200 N CA -0.409 52.612 53.050 -0.048 0.000 0.797 200 N CB 2.891 41.352 38.487 -0.044 0.000 1.523 200 N HN 0.814 nan 8.380 nan 0.000 0.518 201 G N -0.476 108.305 108.800 -0.031 0.000 2.612 201 G HA2 0.582 2.532 3.960 -3.349 0.000 0.298 201 G HA3 0.582 2.532 3.960 -3.349 0.000 0.298 201 G C -1.408 173.480 174.900 -0.018 0.000 1.336 201 G CA -0.308 44.772 45.100 -0.034 0.000 0.953 201 G HN 0.244 nan 8.290 nan 0.000 0.482 202 V N 0.627 120.526 119.914 -0.024 0.000 2.448 202 V HA 0.693 2.804 4.120 -3.349 0.000 0.295 202 V C 0.183 176.260 176.094 -0.029 0.000 1.025 202 V CA -0.698 61.593 62.300 -0.015 0.000 0.859 202 V CB 1.537 33.353 31.823 -0.012 0.000 0.988 202 V HN 1.139 nan 8.190 nan 0.000 0.431 203 A N 7.390 130.193 122.820 -0.027 0.000 2.511 203 A HA 0.798 3.108 4.320 -3.349 0.000 0.340 203 A C -2.725 174.837 177.584 -0.037 0.000 1.396 203 A CA -1.637 50.377 52.037 -0.037 0.000 0.887 203 A CB 0.449 19.426 19.000 -0.039 0.000 1.145 203 A HN 0.598 nan 8.150 nan 0.000 0.497 204 P HA 0.245 nan 4.420 nan 0.000 0.272 204 P C 0.974 178.237 177.300 -0.062 0.000 1.223 204 P CA 0.332 63.397 63.100 -0.058 0.000 0.784 204 P CB 1.313 32.964 31.700 -0.081 0.000 0.923 205 G N 0.743 109.508 108.800 -0.059 0.000 2.571 205 G HA2 0.158 2.109 3.960 -3.349 0.000 0.225 205 G HA3 0.158 2.109 3.960 -3.349 0.000 0.225 205 G C -0.506 174.328 174.900 -0.111 0.000 1.731 205 G CA 0.052 45.120 45.100 -0.053 0.000 0.858 205 G HN 0.422 nan 8.290 nan 0.000 0.611 206 V N 1.495 121.356 119.914 -0.088 0.000 2.328 206 V HA 0.557 2.668 4.120 -3.349 0.000 0.278 206 V C 0.309 176.335 176.094 -0.114 0.000 1.021 206 V CA -0.293 61.919 62.300 -0.148 0.000 0.838 206 V CB 0.747 32.533 31.823 -0.062 0.000 0.999 206 V HN 0.476 nan 8.190 nan 0.000 0.447 207 S N 4.638 120.246 115.700 -0.153 0.000 3.617 207 S HA 0.580 3.041 4.470 -3.349 0.000 0.220 207 S C 0.122 174.647 174.600 -0.125 0.000 1.040 207 S CA -0.669 57.462 58.200 -0.115 0.000 1.454 207 S CB 0.459 63.593 63.200 -0.109 0.000 1.045 207 S HN 0.544 nan 8.310 nan 0.000 0.658 208 L N 2.655 123.810 121.223 -0.113 0.000 2.584 208 L HA 0.117 2.447 4.340 -3.349 0.000 0.272 208 L C -0.448 176.343 176.870 -0.133 0.000 1.195 208 L CA -0.002 54.779 54.840 -0.098 0.000 0.920 208 L CB -0.413 41.600 42.059 -0.078 0.000 1.173 208 L HN 0.473 nan 8.230 nan 0.000 0.489 209 L N 5.618 126.779 121.223 -0.104 0.000 2.456 209 L HA 0.359 2.690 4.340 -3.349 0.000 0.257 209 L C -1.857 174.974 176.870 -0.065 0.000 1.162 209 L CA -1.738 53.035 54.840 -0.112 0.000 0.808 209 L CB 0.231 42.250 42.059 -0.067 0.000 1.136 209 L HN 0.419 nan 8.230 nan 0.000 0.466 210 P HA -0.023 nan 4.420 nan 0.000 0.271 210 P C 0.608 177.917 177.300 0.014 0.000 1.216 210 P CA -0.150 62.953 63.100 0.004 0.000 0.771 210 P CB 0.935 32.666 31.700 0.053 0.000 0.864 211 V N 3.434 123.356 119.914 0.013 0.000 2.332 211 V HA -0.283 1.828 4.120 -3.349 0.000 0.248 211 V C 1.916 178.024 176.094 0.023 0.000 1.055 211 V CA 2.746 65.054 62.300 0.014 0.000 1.038 211 V CB -1.164 30.665 31.823 0.010 0.000 0.651 211 V HN 0.664 nan 8.190 nan 0.000 0.450 212 A N -0.513 122.326 122.820 0.031 0.000 2.168 212 A HA 0.115 2.426 4.320 -3.349 0.000 0.215 212 A C 1.502 179.112 177.584 0.044 0.000 1.152 212 A CA 0.821 52.879 52.037 0.035 0.000 0.716 212 A CB -0.485 18.538 19.000 0.037 0.000 0.794 212 A HN 0.658 nan 8.150 nan 0.000 0.465 213 M N 1.203 120.835 119.600 0.052 0.000 2.252 213 M HA 0.294 2.765 4.480 -3.349 0.000 0.348 213 M C 0.715 177.051 176.300 0.061 0.000 1.334 213 M CA 0.082 55.422 55.300 0.067 0.000 1.071 213 M CB 0.290 32.937 32.600 0.079 0.000 1.763 213 M HN 0.309 nan 8.290 nan 0.000 0.452 214 G N 3.735 112.573 108.800 0.064 0.000 2.391 214 G HA2 -0.017 1.933 3.960 -3.349 0.000 0.234 214 G HA3 -0.017 1.933 3.960 -3.349 0.000 0.234 214 G C 0.531 175.467 174.900 0.060 0.000 1.284 214 G CA -0.482 44.650 45.100 0.054 0.000 0.873 214 G HN 0.905 nan 8.290 nan 0.000 0.549 215 E N 0.942 121.169 120.200 0.046 0.000 2.204 215 E HA -0.146 2.195 4.350 -3.349 0.000 0.195 215 E C 2.474 179.104 176.600 0.050 0.000 0.990 215 E CA 1.193 57.620 56.400 0.046 0.000 0.821 215 E CB 0.092 29.811 29.700 0.032 0.000 0.750 215 E HN 0.889 nan 8.360 nan 0.000 0.477 216 E N 0.986 121.212 120.200 0.044 0.000 2.106 216 E HA -0.186 2.154 4.350 -3.349 0.000 0.192 216 E C 1.408 178.036 176.600 0.048 0.000 0.984 216 E CA 0.875 57.297 56.400 0.036 0.000 0.806 216 E CB -0.096 29.620 29.700 0.026 0.000 0.750 216 E HN 0.124 nan 8.360 nan 0.000 0.458 217 E N 1.610 121.857 120.200 0.078 0.000 2.076 217 E HA -0.038 2.302 4.350 -3.349 0.000 0.190 217 E C 2.054 178.786 176.600 0.219 0.000 0.979 217 E CA 0.690 57.166 56.400 0.126 0.000 0.807 217 E CB -0.199 29.596 29.700 0.158 0.000 0.761 217 E HN 0.349 nan 8.360 nan 0.000 0.454 218 K N 0.836 121.349 120.400 0.188 0.000 2.044 218 K HA -0.176 2.135 4.320 -3.349 0.000 0.210 218 K C 1.710 178.420 176.600 0.183 0.000 1.049 218 K CA 1.550 57.956 56.287 0.197 0.000 0.927 218 K CB -0.113 32.449 32.500 0.104 0.000 0.713 218 K HN 0.032 nan 8.250 nan 0.000 0.443 219 D N 0.617 121.080 120.400 0.104 0.000 2.218 219 D HA -0.101 2.530 4.640 -3.349 0.000 0.204 219 D C 1.658 177.980 176.300 0.037 0.000 0.976 219 D CA 1.047 55.086 54.000 0.064 0.000 0.853 219 D CB 0.013 40.833 40.800 0.034 0.000 0.939 219 D HN 0.178 nan 8.370 nan 0.000 0.481 220 K N -0.569 119.832 120.400 0.002 0.000 2.063 220 K HA -0.153 2.157 4.320 -3.349 0.000 0.208 220 K C 2.098 178.590 176.600 -0.180 0.000 1.048 220 K CA 1.046 57.255 56.287 -0.130 0.000 0.928 220 K CB -0.138 32.221 32.500 -0.235 0.000 0.713 220 K HN 0.250 nan 8.250 nan 0.000 0.442 221 W N 0.876 122.172 121.300 -0.008 0.000 2.409 221 W HA -0.017 2.634 4.660 -3.349 0.000 0.299 221 W C 2.317 178.825 176.519 -0.018 0.000 1.203 221 W CA 0.485 57.821 57.345 -0.014 0.000 1.298 221 W CB -0.057 29.393 29.460 -0.017 0.000 1.127 221 W HN -0.033 nan 8.180 nan 0.000 0.528 222 R N 0.287 120.911 120.500 0.208 0.000 2.091 222 R HA -0.125 2.206 4.340 -3.349 0.000 0.238 222 R C 2.017 178.353 176.300 0.060 0.000 1.136 222 R CA 1.468 57.634 56.100 0.111 0.000 0.959 222 R CB -0.440 29.907 30.300 0.078 0.000 0.856 222 R HN 0.144 nan 8.270 nan 0.000 0.437 223 R N 0.487 121.005 120.500 0.030 0.000 2.316 223 R HA -0.027 2.304 4.340 -3.349 0.000 0.202 223 R C 1.624 177.913 176.300 -0.017 0.000 1.029 223 R CA 0.697 56.795 56.100 -0.002 0.000 1.018 223 R CB 0.100 30.387 30.300 -0.021 0.000 0.888 223 R HN 0.209 nan 8.270 nan 0.000 0.471 224 K N 0.251 120.647 120.400 -0.006 0.000 2.296 224 K HA 0.042 2.352 4.320 -3.349 0.000 0.200 224 K C 0.376 176.982 176.600 0.010 0.000 1.048 224 K CA 0.446 56.725 56.287 -0.014 0.000 0.966 224 K CB 0.412 32.911 32.500 -0.002 0.000 0.754 224 K HN -0.080 nan 8.250 nan 0.000 0.466 225 V N 3.498 123.432 119.914 0.033 0.000 2.405 225 V HA 0.031 2.142 4.120 -3.349 0.000 0.264 225 V C -1.719 174.380 176.094 0.008 0.000 1.048 225 V CA -1.155 61.162 62.300 0.029 0.000 0.966 225 V CB 0.956 32.803 31.823 0.040 0.000 1.015 225 V HN 0.040 nan 8.190 nan 0.000 0.477 226 P HA -0.105 nan 4.420 nan 0.000 0.215 226 P C 0.626 177.924 177.300 -0.004 0.000 1.157 226 P CA 0.562 63.658 63.100 -0.007 0.000 0.868 226 P CB 0.192 31.886 31.700 -0.010 0.000 0.788 227 L N -0.157 121.065 121.223 -0.002 0.000 2.462 227 L HA 0.393 2.724 4.340 -3.349 0.000 0.283 227 L C 1.190 178.059 176.870 -0.001 0.000 1.166 227 L CA 0.716 55.554 54.840 -0.003 0.000 0.964 227 L CB -1.209 40.847 42.059 -0.005 0.000 1.294 227 L HN 0.342 nan 8.230 nan 0.000 0.449 228 G N 3.035 111.835 108.800 -0.001 0.000 2.217 228 G HA2 -0.336 1.615 3.960 -3.349 0.000 0.246 228 G HA3 -0.336 1.615 3.960 -3.349 0.000 0.246 228 G C 0.690 175.592 174.900 0.004 0.000 0.990 228 G CA 0.044 45.144 45.100 0.001 0.000 0.627 228 G HN 0.589 nan 8.290 nan 0.000 0.522 229 R N -0.944 119.560 120.500 0.007 0.000 3.422 229 R HA -0.177 2.153 4.340 -3.349 0.000 0.267 229 R C 0.626 176.938 176.300 0.021 0.000 1.074 229 R CA 2.033 58.140 56.100 0.013 0.000 0.718 229 R CB -1.819 28.485 30.300 0.006 0.000 1.157 229 R HN 1.294 nan 8.270 nan 0.000 0.440 230 R N -1.000 119.513 120.500 0.021 0.000 2.739 230 R HA 0.442 2.773 4.340 -3.349 0.000 0.271 230 R C -0.617 175.695 176.300 0.019 0.000 1.010 230 R CA -1.228 54.885 56.100 0.021 0.000 0.897 230 R CB 1.205 31.511 30.300 0.010 0.000 1.236 230 R HN 0.074 nan 8.270 nan 0.000 0.466 231 E N 1.969 122.177 120.200 0.014 0.000 2.392 231 E HA 0.295 2.636 4.350 -3.349 0.000 0.259 231 E C -0.488 176.103 176.600 -0.016 0.000 1.108 231 E CA -0.422 55.975 56.400 -0.005 0.000 0.916 231 E CB 0.920 30.608 29.700 -0.020 0.000 0.989 231 E HN 0.656 nan 8.360 nan 0.000 0.432 232 A N 2.285 125.088 122.820 -0.028 0.000 2.440 232 A HA 0.248 2.559 4.320 -3.349 0.000 0.251 232 A C 0.571 178.136 177.584 -0.033 0.000 1.089 232 A CA 0.048 52.067 52.037 -0.029 0.000 0.779 232 A CB -0.037 18.942 19.000 -0.035 0.000 1.022 232 A HN 0.737 nan 8.150 nan 0.000 0.492 233 S N 1.835 117.520 115.700 -0.025 0.000 2.584 233 S HA 0.400 2.861 4.470 -3.349 0.000 0.270 233 S C 1.343 175.925 174.600 -0.029 0.000 1.346 233 S CA -0.106 58.080 58.200 -0.025 0.000 1.018 233 S CB 0.976 64.166 63.200 -0.017 0.000 0.899 233 S HN 1.657 nan 8.310 nan 0.000 0.542 234 A N 1.279 124.082 122.820 -0.029 0.000 1.940 234 A HA -0.097 2.214 4.320 -3.349 0.000 0.219 234 A C 2.012 179.584 177.584 -0.021 0.000 1.176 234 A CA 1.913 53.933 52.037 -0.029 0.000 0.631 234 A CB -1.175 17.810 19.000 -0.026 0.000 0.814 234 A HN 0.910 nan 8.150 nan 0.000 0.446 235 E N -0.085 120.105 120.200 -0.016 0.000 2.110 235 E HA -0.185 2.156 4.350 -3.349 0.000 0.193 235 E C 2.207 178.802 176.600 -0.009 0.000 0.988 235 E CA 1.552 57.947 56.400 -0.009 0.000 0.804 235 E CB -0.282 29.414 29.700 -0.006 0.000 0.745 235 E HN 0.770 nan 8.360 nan 0.000 0.458 236 Q N -0.278 119.514 119.800 -0.013 0.000 2.119 236 Q HA -0.113 2.218 4.340 -3.349 0.000 0.201 236 Q C 1.901 177.892 176.000 -0.014 0.000 0.972 236 Q CA 0.793 56.587 55.803 -0.014 0.000 0.847 236 Q CB 0.001 28.729 28.738 -0.018 0.000 0.903 236 Q HN 0.272 nan 8.270 nan 0.000 0.433 237 I N 0.675 121.233 120.570 -0.020 0.000 2.202 237 I HA -0.206 1.955 4.170 -3.349 0.000 0.242 237 I C 2.353 178.463 176.117 -0.012 0.000 1.091 237 I CA 1.307 62.595 61.300 -0.021 0.000 1.368 237 I CB -1.606 36.375 38.000 -0.032 0.000 1.058 237 I HN 0.113 nan 8.210 nan 0.000 0.410 238 A N 0.623 123.435 122.820 -0.012 0.000 1.940 238 A HA -0.229 2.082 4.320 -3.349 0.000 0.219 238 A C 1.997 179.584 177.584 0.005 0.000 1.176 238 A CA 1.908 53.939 52.037 -0.010 0.000 0.631 238 A CB -0.652 18.342 19.000 -0.010 0.000 0.814 238 A HN 0.356 nan 8.150 nan 0.000 0.446 239 D N 0.117 120.523 120.400 0.011 0.000 2.133 239 D HA -0.135 2.496 4.640 -3.349 0.000 0.195 239 D C 2.194 178.529 176.300 0.059 0.000 0.997 239 D CA 1.711 55.728 54.000 0.028 0.000 0.840 239 D CB -0.378 40.429 40.800 0.011 0.000 0.947 239 D HN 0.451 nan 8.370 nan 0.000 0.452 240 A N 0.331 123.180 122.820 0.048 0.000 1.968 240 A HA -0.079 2.232 4.320 -3.349 0.000 0.217 240 A C 2.529 180.180 177.584 0.112 0.000 1.169 240 A CA 0.869 52.962 52.037 0.093 0.000 0.638 240 A CB -0.501 18.530 19.000 0.052 0.000 0.812 240 A HN 0.140 nan 8.150 nan 0.000 0.446 241 V N 0.796 120.735 119.914 0.042 0.000 2.261 241 V HA -0.287 1.824 4.120 -3.349 0.000 0.246 241 V C 2.527 178.619 176.094 -0.004 0.000 1.047 241 V CA 2.160 64.460 62.300 0.000 0.000 1.015 241 V CB -0.943 30.858 31.823 -0.037 0.000 0.642 241 V HN 0.795 nan 8.190 nan 0.000 0.446 242 I N -1.502 119.078 120.570 0.016 0.000 2.493 242 I HA -0.169 1.992 4.170 -3.349 0.000 0.254 242 I C 2.215 178.376 176.117 0.073 0.000 1.160 242 I CA 1.593 62.903 61.300 0.016 0.000 1.445 242 I CB -0.780 37.233 38.000 0.021 0.000 1.086 242 I HN 0.210 nan 8.210 nan 0.000 0.433 243 F N 1.699 121.643 119.950 -0.010 0.000 2.102 243 F HA -0.104 4.432 4.527 0.016 0.000 0.298 243 F C 1.964 177.766 175.800 0.004 0.000 1.105 243 F CA 1.798 59.799 58.000 0.002 0.000 1.239 243 F CB -0.449 38.551 39.000 -0.000 0.000 0.991 243 F HN 0.047 nan 8.300 nan 0.000 0.474 244 L N 0.125 121.229 121.223 -0.198 0.000 2.141 244 L HA -0.154 2.177 4.340 -3.349 0.000 0.209 244 L C 2.451 179.178 176.870 -0.238 0.000 1.094 244 L CA 1.260 55.925 54.840 -0.291 0.000 0.763 244 L CB -0.711 41.294 42.059 -0.090 0.000 0.908 244 L HN 0.288 nan 8.230 nan 0.000 0.437 245 V N -3.799 116.025 119.914 -0.150 0.000 3.129 245 V HA 0.038 2.149 4.120 -3.349 0.000 0.259 245 V C 1.470 177.538 176.094 -0.044 0.000 1.116 245 V CA 0.389 62.636 62.300 -0.089 0.000 1.127 245 V CB -0.666 31.097 31.823 -0.100 0.000 0.742 245 V HN 0.406 nan 8.190 nan 0.000 0.474 246 S N 0.822 116.466 115.700 -0.094 0.000 2.634 246 S HA 0.507 2.968 4.470 -3.349 0.000 0.261 246 S C 1.460 176.017 174.600 -0.072 0.000 1.271 246 S CA 0.185 58.361 58.200 -0.040 0.000 0.985 246 S CB 0.865 64.056 63.200 -0.015 0.000 0.968 246 S HN 0.620 nan 8.310 nan 0.000 0.568 247 G N 0.024 108.811 108.800 -0.022 0.000 2.559 247 G HA2 -0.036 1.915 3.960 -3.349 0.000 0.216 247 G HA3 -0.036 1.915 3.960 -3.349 0.000 0.216 247 G C 1.046 175.934 174.900 -0.021 0.000 1.126 247 G CA 0.402 45.493 45.100 -0.015 0.000 0.778 247 G HN 0.687 nan 8.290 nan 0.000 0.543 248 S N 0.043 115.723 115.700 -0.033 0.000 2.603 248 S HA 0.364 2.825 4.470 -3.349 0.000 0.220 248 S C 1.565 176.102 174.600 -0.106 0.000 0.967 248 S CA 0.467 58.679 58.200 0.021 0.000 0.920 248 S CB 0.329 63.643 63.200 0.189 0.000 0.773 248 S HN 0.535 nan 8.310 nan 0.000 0.529 249 A N 0.256 122.913 122.820 -0.272 0.000 2.605 249 A HA 0.301 2.612 4.320 -3.349 0.000 0.292 249 A C 1.306 178.816 177.584 -0.124 0.000 1.055 249 A CA -0.344 51.487 52.037 -0.342 0.000 0.969 249 A CB 0.178 18.700 19.000 -0.797 0.000 1.236 249 A HN 0.127 nan 8.150 nan 0.000 0.534 250 Q N -1.237 118.543 119.800 -0.033 0.000 2.443 250 Q HA -0.155 2.176 4.340 -3.349 0.000 0.213 250 Q C 0.707 176.762 176.000 0.092 0.000 0.982 250 Q CA 1.382 57.200 55.803 0.025 0.000 0.894 250 Q CB -0.286 28.481 28.738 0.049 0.000 0.947 250 Q HN 0.863 nan 8.270 nan 0.000 0.480 251 Y N -0.564 119.718 120.300 -0.029 0.000 2.481 251 Y HA 0.275 2.805 4.550 -3.367 0.000 0.247 251 Y C 0.272 176.168 175.900 -0.007 0.000 1.151 251 Y CA -0.393 57.702 58.100 -0.008 0.000 1.238 251 Y CB 0.791 39.255 38.460 0.006 0.000 1.179 251 Y HN -0.121 nan 8.280 nan 0.000 0.524 252 I N 1.269 121.847 120.570 0.013 0.000 2.301 252 I HA 0.211 2.372 4.170 -3.349 0.000 0.292 252 I C 0.090 176.163 176.117 -0.072 0.000 1.046 252 I CA 0.111 61.399 61.300 -0.020 0.000 1.282 252 I CB 0.904 38.905 38.000 0.002 0.000 1.409 252 I HN -0.047 nan 8.210 nan 0.000 0.484 253 T N 3.718 118.218 114.554 -0.091 0.000 2.933 253 T HA 0.554 2.895 4.350 -3.349 0.000 0.305 253 T C 0.505 175.172 174.700 -0.055 0.000 1.092 253 T CA 0.299 62.354 62.100 -0.075 0.000 1.008 253 T CB 1.518 70.334 68.868 -0.088 0.000 1.102 253 T HN 0.908 nan 8.240 nan 0.000 0.469 254 G N 2.414 111.191 108.800 -0.038 0.000 2.148 254 G HA2 -0.212 1.738 3.960 -3.349 0.000 0.254 254 G HA3 -0.212 1.738 3.960 -3.349 0.000 0.254 254 G C 0.135 175.025 174.900 -0.015 0.000 0.981 254 G CA 0.407 45.492 45.100 -0.025 0.000 0.670 254 G HN 0.946 nan 8.290 nan 0.000 0.528 255 S N -0.203 115.491 115.700 -0.010 0.000 2.508 255 S HA 0.725 3.186 4.470 -3.349 0.000 0.284 255 S C 0.180 174.783 174.600 0.005 0.000 1.192 255 S CA -0.388 57.817 58.200 0.008 0.000 1.070 255 S CB 1.645 64.864 63.200 0.032 0.000 1.004 255 S HN 0.362 nan 8.310 nan 0.000 0.493 256 I N 3.374 123.946 120.570 0.005 0.000 2.382 256 I HA 0.374 2.534 4.170 -3.349 0.000 0.286 256 I C -0.772 175.350 176.117 0.009 0.000 1.002 256 I CA -0.403 60.895 61.300 -0.003 0.000 1.135 256 I CB 1.114 39.101 38.000 -0.023 0.000 1.288 256 I HN 0.463 nan 8.210 nan 0.000 0.448 257 I N 6.806 127.388 120.570 0.020 0.000 2.312 257 I HA 0.232 2.393 4.170 -3.349 0.000 0.291 257 I C 0.261 176.381 176.117 0.004 0.000 1.031 257 I CA -0.654 60.661 61.300 0.025 0.000 1.293 257 I CB 0.549 38.582 38.000 0.055 0.000 1.403 257 I HN 0.425 nan 8.210 nan 0.000 0.484 258 K N 5.232 125.630 120.400 -0.003 0.000 2.368 258 K HA 0.299 2.610 4.320 -3.349 0.000 0.282 258 K C -0.533 176.059 176.600 -0.012 0.000 1.035 258 K CA -0.207 56.074 56.287 -0.010 0.000 0.973 258 K CB 1.257 33.752 32.500 -0.008 0.000 0.957 258 K HN 0.377 nan 8.250 nan 0.000 0.474 259 V N 4.164 124.067 119.914 -0.017 0.000 2.260 259 V HA 0.045 2.156 4.120 -3.349 0.000 0.263 259 V C -0.176 175.904 176.094 -0.022 0.000 1.036 259 V CA -0.436 61.852 62.300 -0.020 0.000 0.874 259 V CB 0.311 32.122 31.823 -0.021 0.000 1.116 259 V HN 0.893 nan 8.190 nan 0.000 0.454 260 D N 1.391 121.782 120.400 -0.015 0.000 2.539 260 D HA 0.140 2.771 4.640 -3.349 0.000 0.232 260 D C 1.350 177.649 176.300 -0.002 0.000 1.256 260 D CA 0.388 54.382 54.000 -0.010 0.000 0.810 260 D CB 0.690 41.488 40.800 -0.004 0.000 1.090 260 D HN 0.582 nan 8.370 nan 0.000 0.519 261 G N 0.667 109.464 108.800 -0.006 0.000 2.258 261 G HA2 -0.092 1.859 3.960 -3.349 0.000 0.274 261 G HA3 -0.092 1.859 3.960 -3.349 0.000 0.274 261 G C 1.256 176.156 174.900 0.001 0.000 1.021 261 G CA 0.785 45.883 45.100 -0.003 0.000 0.798 261 G HN 1.441 nan 8.290 nan 0.000 0.507 262 G N -1.875 106.926 108.800 0.002 0.000 2.159 262 G HA2 -0.165 1.786 3.960 -3.349 0.000 0.256 262 G HA3 -0.165 1.786 3.960 -3.349 0.000 0.256 262 G C 1.153 176.059 174.900 0.010 0.000 0.977 262 G CA 1.031 46.133 45.100 0.004 0.000 0.652 262 G HN 1.622 nan 8.290 nan 0.000 0.531 263 L N 2.004 123.238 121.223 0.019 0.000 2.079 263 L HA 0.035 2.366 4.340 -3.349 0.000 0.210 263 L C 2.852 179.744 176.870 0.037 0.000 1.081 263 L CA 3.257 58.118 54.840 0.035 0.000 0.752 263 L CB -0.516 41.579 42.059 0.060 0.000 0.896 263 L HN 0.767 nan 8.230 nan 0.000 0.433 264 S N -1.371 114.348 115.700 0.033 0.000 2.507 264 S HA -0.084 2.377 4.470 -3.349 0.000 0.235 264 S C 1.663 176.284 174.600 0.034 0.000 0.988 264 S CA 1.042 59.264 58.200 0.037 0.000 0.944 264 S CB -0.751 62.466 63.200 0.028 0.000 0.762 264 S HN 0.540 nan 8.310 nan 0.000 0.526 265 L N 1.139 122.377 121.223 0.025 0.000 2.592 265 L HA 0.314 2.645 4.340 -3.349 0.000 0.227 265 L C -0.157 176.724 176.870 0.019 0.000 1.127 265 L CA -0.217 54.639 54.840 0.026 0.000 0.884 265 L CB 0.059 42.130 42.059 0.019 0.000 1.065 265 L HN 0.142 nan 8.230 nan 0.000 0.457 266 V N 0.916 120.828 119.914 -0.003 0.000 2.385 266 V HA 0.085 2.196 4.120 -3.349 0.000 0.269 266 V C 0.221 176.284 176.094 -0.051 0.000 1.043 266 V CA -0.818 61.438 62.300 -0.072 0.000 0.906 266 V CB 0.145 31.915 31.823 -0.088 0.000 0.995 266 V HN 0.384 nan 8.190 nan 0.000 0.467 267 H N 3.693 122.771 119.070 0.013 0.000 2.745 267 H HA 0.654 3.201 4.556 -3.349 0.000 0.373 267 H C 0.414 175.745 175.328 0.004 0.000 1.226 267 H CA 0.144 56.199 56.048 0.011 0.000 1.435 267 H CB 0.452 30.220 29.762 0.009 0.000 1.461 267 H HN 0.710 nan 8.280 nan 0.000 0.616 268 A N 0.000 122.957 122.820 0.228 0.000 2.254 268 A HA 0.000 2.311 4.320 -3.349 0.000 0.244 268 A CA 0.000 52.116 52.037 0.132 0.000 0.836 268 A CB 0.000 19.057 19.000 0.096 0.000 0.831 268 A HN 0.000 nan 8.150 nan 0.000 0.486