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 2r5i_1_A DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.614 177.584 0.050 0.000 1.274 20 A CA 0.000 52.052 52.037 0.024 0.000 0.836 20 A CB 0.000 19.008 19.000 0.013 0.000 0.831 21 V N 2.140 122.033 119.914 -0.035 0.000 2.775 21 V HA 0.517 4.623 4.120 -0.024 0.000 0.299 21 V C 0.256 176.205 176.094 -0.243 0.000 1.062 21 V CA -0.103 62.168 62.300 -0.049 0.000 1.063 21 V CB 1.469 33.152 31.823 -0.234 0.000 0.994 21 V HN 0.793 nan 8.190 nan 0.000 0.483 22 V N 3.425 123.305 119.914 -0.057 0.000 2.823 22 V HA 0.381 4.487 4.120 -0.024 0.000 0.312 22 V C 0.191 176.327 176.094 0.070 0.000 1.072 22 V CA -1.162 61.057 62.300 -0.134 0.000 0.937 22 V CB 2.024 33.765 31.823 -0.137 0.000 1.013 22 V HN 0.850 nan 8.190 nan 0.000 0.430 23 N N 1.831 120.609 118.700 0.130 0.000 2.356 23 N HA -0.049 4.677 4.740 -0.024 0.000 0.252 23 N C 1.451 177.090 175.510 0.214 0.000 1.241 23 N CA 0.876 54.088 53.050 0.270 0.000 0.861 23 N CB 1.525 40.145 38.487 0.221 0.000 1.075 23 N HN 1.022 nan 8.380 nan 0.000 0.461 24 T N -0.725 113.912 114.554 0.139 0.000 2.929 24 T HA -0.104 4.231 4.350 -0.024 0.000 0.271 24 T C 0.836 175.386 174.700 -0.250 0.000 1.085 24 T CA 0.967 62.941 62.100 -0.210 0.000 1.125 24 T CB 0.079 68.861 68.868 -0.142 0.000 0.874 24 T HN 0.415 nan 8.240 nan 0.000 0.494 25 D N 1.598 121.967 120.400 -0.052 0.000 2.350 25 D HA -0.042 4.584 4.640 -0.024 0.000 0.216 25 D C 1.204 177.505 176.300 0.001 0.000 0.968 25 D CA 0.697 54.679 54.000 -0.030 0.000 0.894 25 D CB -0.158 40.654 40.800 0.019 0.000 0.909 25 D HN 0.479 nan 8.370 nan 0.000 0.520 26 D N -0.510 119.919 120.400 0.048 0.000 2.249 26 D HA -0.083 4.543 4.640 -0.024 0.000 0.205 26 D C 1.371 177.778 176.300 0.178 0.000 0.962 26 D CA 0.651 54.718 54.000 0.112 0.000 0.860 26 D CB 0.001 40.883 40.800 0.135 0.000 0.955 26 D HN 0.534 nan 8.370 nan 0.000 0.505 27 Y N -2.248 118.072 120.300 0.035 0.000 2.626 27 Y HA 0.517 5.052 4.550 -0.024 0.000 0.248 27 Y C -0.301 175.655 175.900 0.095 0.000 1.147 27 Y CA -0.556 57.575 58.100 0.051 0.000 1.219 27 Y CB 0.403 38.886 38.460 0.038 0.000 1.279 27 Y HN -0.350 nan 8.280 nan 0.000 0.541 28 V N 2.294 122.125 119.914 -0.138 0.000 2.376 28 V HA 0.349 4.455 4.120 -0.024 0.000 0.287 28 V C -0.321 175.731 176.094 -0.069 0.000 1.015 28 V CA -0.565 61.662 62.300 -0.122 0.000 0.834 28 V CB 1.509 33.176 31.823 -0.260 0.000 1.001 28 V HN 0.373 nan 8.190 nan 0.000 0.428 29 T N 5.175 119.708 114.554 -0.035 0.000 2.845 29 T HA 0.515 4.851 4.350 -0.024 0.000 0.288 29 T C 0.056 174.726 174.700 -0.050 0.000 0.980 29 T CA -0.607 61.476 62.100 -0.028 0.000 1.071 29 T CB 1.013 69.876 68.868 -0.010 0.000 0.941 29 T HN 0.484 nan 8.240 nan 0.000 0.487 30 R N 1.618 122.096 120.500 -0.036 0.000 2.349 30 R HA 0.524 4.850 4.340 -0.024 0.000 0.299 30 R C 1.012 177.279 176.300 -0.055 0.000 1.027 30 R CA -0.518 55.554 56.100 -0.045 0.000 0.958 30 R CB 0.989 31.284 30.300 -0.008 0.000 1.047 30 R HN 0.864 nan 8.270 nan 0.000 0.468 31 T N -2.054 112.438 114.554 -0.104 0.000 2.893 31 T HA 0.215 4.550 4.350 -0.024 0.000 0.281 31 T C 0.812 175.430 174.700 -0.137 0.000 1.027 31 T CA -0.630 61.414 62.100 -0.095 0.000 0.953 31 T CB 1.173 69.978 68.868 -0.106 0.000 1.434 31 T HN 0.475 nan 8.240 nan 0.000 0.597 32 S N -0.375 115.264 115.700 -0.102 0.000 2.588 32 S HA 0.365 4.821 4.470 -0.024 0.000 0.245 32 S C 0.034 174.541 174.600 -0.155 0.000 1.021 32 S CA -0.772 57.381 58.200 -0.079 0.000 1.006 32 S CB -0.463 62.777 63.200 0.067 0.000 0.830 32 S HN 0.561 nan 8.310 nan 0.000 0.468 33 I N 2.206 122.610 120.570 -0.276 0.000 2.353 33 I HA 0.512 4.668 4.170 -0.024 0.000 0.293 33 I C -0.725 175.224 176.117 -0.280 0.000 0.992 33 I CA -1.055 60.188 61.300 -0.095 0.000 1.268 33 I CB 0.400 38.463 38.000 0.105 0.000 1.387 33 I HN 0.194 nan 8.210 nan 0.000 0.478 34 F N 5.555 125.618 119.950 0.188 0.000 2.540 34 F HA 0.508 5.021 4.527 -0.023 0.000 0.317 34 F C -0.388 175.461 175.800 0.082 0.000 1.104 34 F CA -0.621 57.473 58.000 0.157 0.000 0.913 34 F CB 1.795 40.800 39.000 0.008 0.000 1.170 34 F HN 0.230 nan 8.300 nan 0.000 0.450 35 Y N 1.310 121.731 120.300 0.201 0.000 2.549 35 Y HA 0.395 4.931 4.550 -0.024 0.000 0.339 35 Y C -0.125 175.702 175.900 -0.121 0.000 1.053 35 Y CA -0.963 57.178 58.100 0.067 0.000 1.105 35 Y CB 1.397 39.875 38.460 0.031 0.000 1.258 35 Y HN 0.496 nan 8.280 nan 0.000 0.478 36 H N 1.081 120.064 119.070 -0.144 0.000 2.573 36 H HA 0.883 5.425 4.556 -0.024 0.000 0.351 36 H C -1.698 173.344 175.328 -0.477 0.000 1.163 36 H CA -0.666 55.184 56.048 -0.329 0.000 1.205 36 H CB 1.698 31.232 29.762 -0.380 0.000 1.605 36 H HN 0.803 nan 8.280 nan 0.000 0.525 37 A N 1.772 123.991 122.820 -1.001 0.000 2.589 37 A HA 0.637 4.943 4.320 -0.024 0.000 0.296 37 A C -1.069 176.293 177.584 -0.370 0.000 1.062 37 A CA -0.071 51.664 52.037 -0.503 0.000 0.686 37 A CB 1.642 20.241 19.000 -0.669 0.000 1.282 37 A HN 0.972 nan 8.150 nan 0.000 0.404 38 G N 0.443 109.213 108.800 -0.051 0.000 2.761 38 G HA2 0.639 4.585 3.960 -0.024 0.000 0.296 38 G HA3 0.639 4.585 3.960 -0.024 0.000 0.296 38 G C -0.257 174.668 174.900 0.041 0.000 1.416 38 G CA 0.286 45.394 45.100 0.013 0.000 1.105 38 G HN 1.853 nan 8.290 nan 0.000 0.565 39 S N 1.168 116.870 115.700 0.003 0.000 2.573 39 S HA 0.349 4.805 4.470 -0.024 0.000 0.277 39 S C 1.690 176.289 174.600 -0.001 0.000 1.346 39 S CA 0.694 58.882 58.200 -0.021 0.000 1.034 39 S CB 1.115 64.239 63.200 -0.128 0.000 0.879 39 S HN 1.442 nan 8.310 nan 0.000 0.528 40 S N 2.907 118.622 115.700 0.026 0.000 2.459 40 S HA -0.001 4.455 4.470 -0.024 0.000 0.204 40 S C 0.832 175.442 174.600 0.016 0.000 1.102 40 S CA 0.528 58.752 58.200 0.040 0.000 1.258 40 S CB -0.521 62.714 63.200 0.058 0.000 1.033 40 S HN 0.997 nan 8.310 nan 0.000 0.398 41 R N 0.341 120.858 120.500 0.028 0.000 2.549 41 R HA 0.429 4.755 4.340 -0.024 0.000 0.291 41 R C -1.818 174.526 176.300 0.074 0.000 1.164 41 R CA -0.414 55.700 56.100 0.023 0.000 0.973 41 R CB 0.583 30.901 30.300 0.030 0.000 1.210 41 R HN 0.419 nan 8.270 nan 0.000 0.422 42 L N 4.544 125.797 121.223 0.051 0.000 2.371 42 L HA 0.498 4.824 4.340 -0.024 0.000 0.272 42 L C -0.481 176.567 176.870 0.296 0.000 1.124 42 L CA -0.700 54.249 54.840 0.183 0.000 0.816 42 L CB 0.956 42.916 42.059 -0.165 0.000 1.129 42 L HN 0.478 nan 8.230 nan 0.000 0.448 43 L N 2.284 123.783 121.223 0.460 0.000 2.506 43 L HA 0.724 5.050 4.340 -0.024 0.000 0.257 43 L C -0.692 176.387 176.870 0.348 0.000 0.964 43 L CA 0.052 55.099 54.840 0.345 0.000 0.836 43 L CB 2.527 44.697 42.059 0.185 0.000 1.384 43 L HN 0.653 nan 8.230 nan 0.000 0.410 44 T N 2.785 117.486 114.554 0.244 0.000 3.159 44 T HA 0.703 5.039 4.350 -0.024 0.000 0.343 44 T C -1.790 172.939 174.700 0.048 0.000 1.364 44 T CA 0.123 62.291 62.100 0.114 0.000 1.102 44 T CB 0.905 69.824 68.868 0.086 0.000 1.263 44 T HN 1.289 nan 8.240 nan 0.000 0.477 45 V N 1.289 121.209 119.914 0.010 0.000 3.078 45 V HA 1.116 5.222 4.120 -0.024 0.000 0.311 45 V C 0.022 176.114 176.094 -0.003 0.000 1.138 45 V CA 0.145 62.440 62.300 -0.008 0.000 1.007 45 V CB 1.373 33.189 31.823 -0.013 0.000 1.045 45 V HN 1.572 nan 8.190 nan 0.000 0.432 46 G N 0.959 109.761 108.800 0.003 0.000 2.342 46 G HA2 0.367 4.313 3.960 -0.024 0.000 0.297 46 G HA3 0.367 4.313 3.960 -0.024 0.000 0.297 46 G C -2.029 172.863 174.900 -0.013 0.000 1.313 46 G CA -0.202 44.899 45.100 0.003 0.000 0.830 46 G HN 1.015 nan 8.290 nan 0.000 0.506 47 D N 0.502 120.870 120.400 -0.053 0.000 2.308 47 D HA 0.309 4.935 4.640 -0.024 0.000 0.251 47 D C -1.193 174.997 176.300 -0.183 0.000 1.127 47 D CA -1.685 52.209 54.000 -0.177 0.000 0.876 47 D CB 2.310 42.957 40.800 -0.256 0.000 1.176 47 D HN 0.069 nan 8.370 nan 0.000 0.446 48 P HA -0.062 nan 4.420 nan 0.000 0.236 48 P C 0.762 178.087 177.300 0.041 0.000 1.177 48 P CA 0.767 63.789 63.100 -0.130 0.000 0.773 48 P CB 0.138 31.709 31.700 -0.214 0.000 0.878 49 Y N -0.477 119.648 120.300 -0.291 0.000 2.535 49 Y HA 0.235 4.770 4.550 -0.025 0.000 0.266 49 Y C 0.967 176.799 175.900 -0.112 0.000 1.088 49 Y CA -0.706 57.239 58.100 -0.258 0.000 1.285 49 Y CB 0.334 38.589 38.460 -0.341 0.000 1.166 49 Y HN -0.142 nan 8.280 nan 0.000 0.525 50 F N -0.897 119.156 119.950 0.172 0.000 2.770 50 F HA 0.455 4.968 4.527 -0.023 0.000 0.313 50 F C -0.970 174.873 175.800 0.071 0.000 1.154 50 F CA -2.233 55.831 58.000 0.107 0.000 0.923 50 F CB 0.592 39.645 39.000 0.089 0.000 1.301 50 F HN -0.236 nan 8.300 nan 0.000 0.449 51 R N 0.696 121.403 120.500 0.344 0.000 2.490 51 R HA 0.780 5.106 4.340 -0.024 0.000 0.278 51 R C -1.633 174.835 176.300 0.281 0.000 1.069 51 R CA -0.752 55.480 56.100 0.220 0.000 1.080 51 R CB 1.357 31.734 30.300 0.129 0.000 1.030 51 R HN 0.536 nan 8.270 nan 0.000 0.491 52 V N 4.051 124.086 119.914 0.203 0.000 2.334 52 V HA 0.346 4.452 4.120 -0.024 0.000 0.281 52 V C -2.129 174.027 176.094 0.104 0.000 1.016 52 V CA -2.068 60.343 62.300 0.185 0.000 0.832 52 V CB 1.254 33.187 31.823 0.183 0.000 0.999 52 V HN 0.823 nan 8.190 nan 0.000 0.439 53 P HA 0.334 nan 4.420 nan 0.000 0.279 53 P C -0.202 177.124 177.300 0.043 0.000 1.252 53 P CA -0.358 62.771 63.100 0.049 0.000 0.811 53 P CB 0.654 32.374 31.700 0.033 0.000 1.035 54 A N 1.873 124.713 122.820 0.033 0.000 2.494 54 A HA 0.219 4.525 4.320 -0.024 0.000 0.291 54 A C 1.322 178.921 177.584 0.026 0.000 0.951 54 A CA 1.542 53.595 52.037 0.026 0.000 1.099 54 A CB -1.834 17.177 19.000 0.018 0.000 0.783 54 A HN 0.818 nan 8.150 nan 0.000 0.433 55 G N 2.073 110.891 108.800 0.030 0.000 4.083 55 G HA2 0.137 4.083 3.960 -0.024 0.000 0.179 55 G HA3 0.137 4.083 3.960 -0.024 0.000 0.179 55 G C 1.621 176.541 174.900 0.033 0.000 2.061 55 G CA 0.756 45.872 45.100 0.027 0.000 1.122 55 G HN 1.823 nan 8.290 nan 0.000 0.350 56 G N 0.712 109.538 108.800 0.043 0.000 2.717 56 G HA2 0.209 4.155 3.960 -0.024 0.000 0.224 56 G HA3 0.209 4.155 3.960 -0.024 0.000 0.224 56 G C 1.501 176.438 174.900 0.061 0.000 1.088 56 G CA 2.676 47.808 45.100 0.053 0.000 0.734 56 G HN 2.063 nan 8.290 nan 0.000 0.616 57 G N -1.091 107.744 108.800 0.060 0.000 4.378 57 G HA2 0.011 3.956 3.960 -0.024 0.000 0.214 57 G HA3 0.011 3.956 3.960 -0.024 0.000 0.214 57 G C -0.130 174.791 174.900 0.035 0.000 0.740 57 G CA 0.291 45.421 45.100 0.050 0.000 0.826 57 G HN 0.698 nan 8.290 nan 0.000 0.549 58 N N 0.798 119.524 118.700 0.043 0.000 2.399 58 N HA 0.322 5.048 4.740 -0.024 0.000 0.280 58 N C -0.864 174.661 175.510 0.025 0.000 1.008 58 N CA -0.665 52.402 53.050 0.028 0.000 0.894 58 N CB 2.332 40.840 38.487 0.035 0.000 1.273 58 N HN 0.234 nan 8.380 nan 0.000 0.486 59 K N 2.637 123.046 120.400 0.015 0.000 2.263 59 K HA 0.110 4.416 4.320 -0.024 0.000 0.282 59 K C -0.974 175.633 176.600 0.011 0.000 1.089 59 K CA -0.097 56.198 56.287 0.013 0.000 0.907 59 K CB 0.251 32.756 32.500 0.008 0.000 1.148 59 K HN 0.669 nan 8.250 nan 0.000 0.470 60 Q N 3.101 122.909 119.800 0.014 0.000 2.061 60 Q HA -0.150 4.175 4.340 -0.024 0.000 0.282 60 Q C -1.112 174.897 176.000 0.015 0.000 0.870 60 Q CA 0.624 56.434 55.803 0.011 0.000 0.536 60 Q CB -0.538 28.203 28.738 0.005 0.000 0.679 60 Q HN 1.051 nan 8.270 nan 0.000 0.322 61 D N 2.602 123.014 120.400 0.021 0.000 2.528 61 D HA -0.202 4.424 4.640 -0.024 0.000 0.092 61 D C -0.634 175.683 176.300 0.028 0.000 0.905 61 D CA 1.160 55.177 54.000 0.028 0.000 0.396 61 D CB 0.519 41.331 40.800 0.019 0.000 0.843 61 D HN 0.455 nan 8.370 nan 0.000 0.326 62 I N 4.214 124.810 120.570 0.044 0.000 2.436 62 I HA 0.256 4.412 4.170 -0.024 0.000 0.289 62 I C -2.054 174.086 176.117 0.039 0.000 1.010 62 I CA -1.907 59.415 61.300 0.037 0.000 1.098 62 I CB 1.632 39.663 38.000 0.052 0.000 1.266 62 I HN 0.236 nan 8.210 nan 0.000 0.434 63 P HA 0.089 nan 4.420 nan 0.000 0.272 63 P C -0.489 176.829 177.300 0.029 0.000 1.230 63 P CA -0.462 62.647 63.100 0.015 0.000 0.788 63 P CB 0.688 32.378 31.700 -0.017 0.000 0.949 64 K N 2.132 122.561 120.400 0.048 0.000 2.292 64 K HA 0.259 4.565 4.320 -0.024 0.000 0.290 64 K C -1.273 175.373 176.600 0.077 0.000 1.083 64 K CA -0.232 56.092 56.287 0.062 0.000 0.918 64 K CB -0.108 32.451 32.500 0.098 0.000 1.089 64 K HN 0.187 nan 8.250 nan 0.000 0.473 65 V N 3.517 123.484 119.914 0.087 0.000 2.326 65 V HA 0.224 4.330 4.120 -0.024 0.000 0.281 65 V C -0.296 175.969 176.094 0.284 0.000 1.015 65 V CA -0.573 61.816 62.300 0.148 0.000 0.823 65 V CB 1.157 33.035 31.823 0.092 0.000 1.009 65 V HN 0.761 nan 8.190 nan 0.000 0.436 66 S N 3.349 119.239 115.700 0.317 0.000 2.634 66 S HA 0.784 5.240 4.470 -0.024 0.000 0.296 66 S C 0.924 175.700 174.600 0.292 0.000 1.104 66 S CA 0.241 58.625 58.200 0.307 0.000 0.920 66 S CB 2.230 65.588 63.200 0.264 0.000 1.111 66 S HN 0.836 nan 8.310 nan 0.000 0.493 67 A N 1.451 124.308 122.820 0.061 0.000 2.178 67 A HA 0.253 4.559 4.320 -0.024 0.000 0.211 67 A C 0.360 177.835 177.584 -0.182 0.000 1.157 67 A CA 0.474 52.491 52.037 -0.033 0.000 0.780 67 A CB -0.512 18.307 19.000 -0.302 0.000 0.828 67 A HN 0.804 nan 8.150 nan 0.000 0.476 68 Y N 1.372 121.765 120.300 0.155 0.000 2.740 68 Y HA 0.241 4.774 4.550 -0.027 0.000 0.356 68 Y C 0.569 176.525 175.900 0.094 0.000 1.101 68 Y CA -0.192 57.984 58.100 0.127 0.000 1.477 68 Y CB -0.375 38.194 38.460 0.181 0.000 1.296 68 Y HN 0.531 nan 8.280 nan 0.000 0.507 69 Q N -1.904 117.996 119.800 0.167 0.000 2.372 69 Q HA 0.401 4.727 4.340 -0.024 0.000 0.273 69 Q C -1.479 174.601 176.000 0.132 0.000 1.078 69 Q CA -1.353 54.552 55.803 0.170 0.000 0.806 69 Q CB 1.326 30.183 28.738 0.198 0.000 1.332 69 Q HN 0.171 nan 8.270 nan 0.000 0.435 70 Y N 1.026 121.385 120.300 0.098 0.000 2.620 70 Y HA 0.065 4.602 4.550 -0.022 0.000 0.330 70 Y C 0.492 176.394 175.900 0.002 0.000 1.186 70 Y CA 0.052 58.188 58.100 0.060 0.000 1.467 70 Y CB 0.559 39.044 38.460 0.041 0.000 1.262 70 Y HN 0.276 nan 8.280 nan 0.000 0.550 71 R N 3.042 123.575 120.500 0.054 0.000 2.207 71 R HA 0.413 4.738 4.340 -0.024 0.000 0.334 71 R C -1.387 174.693 176.300 -0.367 0.000 1.013 71 R CA -0.640 55.315 56.100 -0.242 0.000 0.858 71 R CB 0.977 30.954 30.300 -0.538 0.000 1.094 71 R HN 0.406 nan 8.270 nan 0.000 0.457 72 V N 5.287 125.020 119.914 -0.302 0.000 2.378 72 V HA 0.409 4.515 4.120 -0.024 0.000 0.288 72 V C -0.300 175.620 176.094 -0.291 0.000 1.016 72 V CA -0.739 61.464 62.300 -0.162 0.000 0.840 72 V CB 0.914 32.859 31.823 0.203 0.000 0.994 72 V HN 0.475 nan 8.190 nan 0.000 0.431 73 F N 3.341 123.297 119.950 0.009 0.000 2.420 73 F HA 0.564 5.076 4.527 -0.025 0.000 0.342 73 F C 0.726 176.399 175.800 -0.210 0.000 1.113 73 F CA -0.546 57.410 58.000 -0.075 0.000 1.059 73 F CB 1.348 40.222 39.000 -0.209 0.000 1.128 73 F HN 0.324 nan 8.300 nan 0.000 0.475 74 R N 3.372 123.802 120.500 -0.118 0.000 2.233 74 R HA 0.465 4.791 4.340 -0.024 0.000 0.334 74 R C -1.479 174.624 176.300 -0.328 0.000 1.037 74 R CA -0.394 55.359 56.100 -0.579 0.000 0.920 74 R CB 0.627 30.560 30.300 -0.611 0.000 1.137 74 R HN 0.549 nan 8.270 nan 0.000 0.492 75 V N 4.657 124.374 119.914 -0.329 0.000 2.427 75 V HA 0.058 4.164 4.120 -0.024 0.000 0.268 75 V C 0.215 176.161 176.094 -0.246 0.000 1.046 75 V CA -0.335 61.830 62.300 -0.225 0.000 0.970 75 V CB 1.177 32.842 31.823 -0.263 0.000 1.001 75 V HN 0.635 nan 8.190 nan 0.000 0.476 76 Q N 4.884 124.582 119.800 -0.170 0.000 2.323 76 Q HA 0.422 4.748 4.340 -0.024 0.000 0.257 76 Q C -0.730 175.160 176.000 -0.184 0.000 1.022 76 Q CA 0.266 55.980 55.803 -0.148 0.000 0.919 76 Q CB 0.690 29.379 28.738 -0.082 0.000 1.220 76 Q HN 0.656 nan 8.270 nan 0.000 0.427 77 L N 5.944 127.019 121.223 -0.247 0.000 2.360 77 L HA 0.610 4.935 4.340 -0.024 0.000 0.271 77 L C -1.937 174.689 176.870 -0.406 0.000 1.057 77 L CA -2.199 52.391 54.840 -0.417 0.000 0.803 77 L CB 1.355 43.104 42.059 -0.518 0.000 1.207 77 L HN 0.534 nan 8.230 nan 0.000 0.445 78 P HA 0.003 nan 4.420 nan 0.000 0.275 78 P C -0.956 176.147 177.300 -0.328 0.000 1.227 78 P CA -0.354 62.425 63.100 -0.536 0.000 0.781 78 P CB 0.881 32.016 31.700 -0.941 0.000 0.906 79 D N 4.557 124.848 120.400 -0.181 0.000 2.349 79 D HA 0.008 4.633 4.640 -0.024 0.000 0.266 79 D C -0.979 175.215 176.300 -0.177 0.000 1.293 79 D CA -1.887 52.044 54.000 -0.115 0.000 0.926 79 D CB 0.529 41.312 40.800 -0.028 0.000 1.090 79 D HN 0.236 nan 8.370 nan 0.000 0.502 80 P HA -0.136 nan 4.420 nan 0.000 0.228 80 P C 0.643 177.799 177.300 -0.240 0.000 1.151 80 P CA 0.629 63.430 63.100 -0.498 0.000 0.770 80 P CB 0.616 31.629 31.700 -1.146 0.000 0.786 81 N N 1.002 119.607 118.700 -0.158 0.000 2.182 81 N HA -0.024 4.701 4.740 -0.024 0.000 0.186 81 N C 1.339 176.867 175.510 0.030 0.000 1.036 81 N CA 0.909 53.914 53.050 -0.075 0.000 0.850 81 N CB -0.419 38.029 38.487 -0.066 0.000 1.010 81 N HN 0.242 nan 8.380 nan 0.000 0.432 82 K N 0.324 120.751 120.400 0.046 0.000 2.699 82 K HA 0.012 4.317 4.320 -0.024 0.000 0.205 82 K C -0.243 176.441 176.600 0.140 0.000 1.008 82 K CA 0.047 56.378 56.287 0.073 0.000 1.100 82 K CB -0.299 32.236 32.500 0.059 0.000 0.878 82 K HN 0.046 nan 8.250 nan 0.000 0.496 83 F N 0.239 120.150 119.950 -0.066 0.000 2.523 83 F HA 0.463 4.976 4.527 -0.024 0.000 0.329 83 F C 0.447 176.229 175.800 -0.030 0.000 1.061 83 F CA -1.512 56.449 58.000 -0.064 0.000 0.967 83 F CB 1.361 40.289 39.000 -0.121 0.000 1.218 83 F HN -0.095 nan 8.300 nan 0.000 0.480 84 G N 5.690 114.077 108.800 -0.688 0.000 2.457 84 G HA2 0.475 4.421 3.960 -0.024 0.000 0.316 84 G HA3 0.475 4.421 3.960 -0.024 0.000 0.316 84 G C -0.659 173.844 174.900 -0.662 0.000 1.030 84 G CA -0.513 44.248 45.100 -0.565 0.000 1.073 84 G HN 0.624 nan 8.290 nan 0.000 0.430 85 L N 3.408 124.489 121.223 -0.237 0.000 2.466 85 L HA 0.282 4.608 4.340 -0.024 0.000 0.257 85 L C -0.573 176.293 176.870 -0.005 0.000 1.189 85 L CA -1.601 53.216 54.840 -0.038 0.000 0.813 85 L CB 0.947 43.029 42.059 0.039 0.000 1.118 85 L HN 0.357 nan 8.230 nan 0.000 0.471 86 P HA 0.010 nan 4.420 nan 0.000 0.245 86 P C -0.572 176.752 177.300 0.040 0.000 1.212 86 P CA 0.745 63.880 63.100 0.060 0.000 0.774 86 P CB 0.238 31.989 31.700 0.085 0.000 0.999 87 D N -1.468 118.959 120.400 0.044 0.000 2.301 87 D HA 0.071 4.696 4.640 -0.024 0.000 0.203 87 D C -0.616 175.718 176.300 0.058 0.000 1.300 87 D CA -0.155 53.870 54.000 0.042 0.000 0.899 87 D CB 0.027 40.854 40.800 0.044 0.000 1.597 87 D HN -0.361 nan 8.370 nan 0.000 0.538 88 T N 1.314 115.900 114.554 0.053 0.000 3.327 88 T HA 0.229 4.565 4.350 -0.024 0.000 0.241 88 T C 0.877 175.633 174.700 0.094 0.000 0.907 88 T CA 0.249 62.407 62.100 0.097 0.000 0.931 88 T CB -0.214 68.696 68.868 0.070 0.000 1.112 88 T HN 0.335 nan 8.240 nan 0.000 0.589 89 S N -0.048 115.703 115.700 0.085 0.000 2.902 89 S HA 0.233 4.689 4.470 -0.024 0.000 0.250 89 S C 1.140 175.789 174.600 0.081 0.000 1.046 89 S CA -0.548 57.685 58.200 0.056 0.000 1.069 89 S CB -0.218 62.996 63.200 0.023 0.000 0.967 89 S HN 0.241 nan 8.310 nan 0.000 0.530 90 I N 1.001 121.659 120.570 0.146 0.000 2.703 90 I HA 0.247 4.403 4.170 -0.024 0.000 0.259 90 I C 0.961 177.191 176.117 0.189 0.000 1.151 90 I CA 0.354 61.724 61.300 0.116 0.000 1.470 90 I CB -1.421 36.605 38.000 0.043 0.000 1.112 90 I HN 0.709 nan 8.210 nan 0.000 0.437 91 Y N 0.009 120.276 120.300 -0.055 0.000 2.669 91 Y HA 0.625 5.161 4.550 -0.023 0.000 0.335 91 Y C -0.454 175.409 175.900 -0.061 0.000 1.116 91 Y CA -1.636 56.425 58.100 -0.065 0.000 1.081 91 Y CB 1.128 39.531 38.460 -0.096 0.000 1.297 91 Y HN -0.089 nan 8.280 nan 0.000 0.484 92 N N 3.234 121.723 118.700 -0.352 0.000 2.527 92 N HA 0.338 5.063 4.740 -0.024 0.000 0.236 92 N C -2.163 172.971 175.510 -0.627 0.000 0.999 92 N CA -2.953 49.835 53.050 -0.437 0.000 0.935 92 N CB 1.277 39.648 38.487 -0.194 0.000 1.132 92 N HN 0.445 nan 8.380 nan 0.000 0.511 93 P HA -0.104 nan 4.420 nan 0.000 0.234 93 P C 0.035 177.176 177.300 -0.265 0.000 1.162 93 P CA 0.906 63.650 63.100 -0.593 0.000 0.759 93 P CB 0.537 31.973 31.700 -0.438 0.000 0.813 94 E N -0.442 119.624 120.200 -0.223 0.000 2.201 94 E HA -0.017 4.318 4.350 -0.024 0.000 0.193 94 E C 1.905 178.450 176.600 -0.092 0.000 0.957 94 E CA 1.639 57.965 56.400 -0.124 0.000 0.858 94 E CB -0.628 29.011 29.700 -0.102 0.000 0.816 94 E HN 0.399 nan 8.360 nan 0.000 0.475 95 T N -1.645 112.849 114.554 -0.099 0.000 2.990 95 T HA 0.101 4.437 4.350 -0.024 0.000 0.250 95 T C 0.894 175.567 174.700 -0.045 0.000 1.041 95 T CA -0.253 61.814 62.100 -0.055 0.000 1.010 95 T CB 0.336 69.180 68.868 -0.040 0.000 1.003 95 T HN 0.039 nan 8.240 nan 0.000 0.499 96 Q N -0.028 119.735 119.800 -0.061 0.000 2.496 96 Q HA 0.740 5.066 4.340 -0.024 0.000 0.286 96 Q C -1.097 174.881 176.000 -0.037 0.000 1.103 96 Q CA -1.337 54.454 55.803 -0.020 0.000 0.813 96 Q CB 1.970 30.753 28.738 0.076 0.000 1.444 96 Q HN -0.031 nan 8.270 nan 0.000 0.443 97 R N 0.163 120.554 120.500 -0.182 0.000 2.855 97 R HA 0.622 4.948 4.340 -0.024 0.000 0.266 97 R C -1.040 174.984 176.300 -0.459 0.000 1.034 97 R CA -0.895 54.932 56.100 -0.454 0.000 0.944 97 R CB 1.734 31.311 30.300 -1.205 0.000 1.219 97 R HN 0.639 nan 8.270 nan 0.000 0.474 98 L N 1.388 122.278 121.223 -0.554 0.000 2.329 98 L HA 0.653 4.978 4.340 -0.024 0.000 0.279 98 L C -0.531 176.088 176.870 -0.418 0.000 1.014 98 L CA -1.018 53.492 54.840 -0.550 0.000 0.814 98 L CB 2.055 43.679 42.059 -0.724 0.000 1.257 98 L HN 0.215 nan 8.230 nan 0.000 0.424 99 V N -0.244 119.437 119.914 -0.388 0.000 2.962 99 V HA 0.383 4.488 4.120 -0.024 0.000 0.313 99 V C -1.128 174.743 176.094 -0.371 0.000 1.099 99 V CA -0.964 61.170 62.300 -0.278 0.000 0.971 99 V CB 2.016 33.763 31.823 -0.127 0.000 1.028 99 V HN 0.660 nan 8.190 nan 0.000 0.430 100 W N 1.752 122.949 121.300 -0.172 0.000 2.335 100 W HA 0.659 5.305 4.660 -0.023 0.000 0.306 100 W C 0.359 176.816 176.519 -0.103 0.000 1.216 100 W CA -0.259 56.981 57.345 -0.174 0.000 1.237 100 W CB 1.283 30.549 29.460 -0.323 0.000 1.243 100 W HN 0.769 nan 8.180 nan 0.000 0.493 101 A N 3.982 126.980 122.820 0.297 0.000 2.292 101 A HA 0.476 4.781 4.320 -0.024 0.000 0.319 101 A C -0.734 177.018 177.584 0.280 0.000 1.206 101 A CA -0.627 51.504 52.037 0.157 0.000 0.835 101 A CB 0.696 19.729 19.000 0.056 0.000 1.164 101 A HN 0.748 nan 8.150 nan 0.000 0.505 102 C N 2.428 121.808 119.300 0.133 0.000 2.527 102 C HA 0.630 5.075 4.460 -0.024 0.000 0.396 102 C C 1.207 176.157 174.990 -0.067 0.000 1.289 102 C CA 0.511 59.534 59.018 0.008 0.000 2.047 102 C CB 0.085 27.795 27.740 -0.050 0.000 2.568 102 C HN 1.091 nan 8.230 nan 0.000 0.573 103 A N 3.735 126.504 122.820 -0.086 0.000 2.600 103 A HA 0.689 4.994 4.320 -0.024 0.000 0.252 103 A C 0.509 178.179 177.584 0.143 0.000 1.200 103 A CA 0.563 52.644 52.037 0.072 0.000 0.981 103 A CB -0.079 19.042 19.000 0.202 0.000 1.207 103 A HN 1.629 nan 8.150 nan 0.000 0.577 104 G N -1.073 107.702 108.800 -0.042 0.000 2.616 104 G HA2 0.539 4.485 3.960 -0.024 0.000 0.294 104 G HA3 0.539 4.485 3.960 -0.024 0.000 0.294 104 G C -1.792 172.906 174.900 -0.336 0.000 1.489 104 G CA -0.167 44.903 45.100 -0.050 0.000 0.836 104 G HN 0.673 nan 8.290 nan 0.000 0.527 105 V N -0.074 119.564 119.914 -0.459 0.000 3.048 105 V HA 0.762 4.868 4.120 -0.024 0.000 0.303 105 V C -0.913 174.912 176.094 -0.448 0.000 1.214 105 V CA -0.806 61.188 62.300 -0.509 0.000 0.984 105 V CB 2.246 33.832 31.823 -0.395 0.000 1.054 105 V HN 1.006 nan 8.190 nan 0.000 0.430 106 E N 2.615 122.515 120.200 -0.500 0.000 2.317 106 E HA 0.555 4.891 4.350 -0.024 0.000 0.270 106 E C -1.884 174.541 176.600 -0.292 0.000 0.899 106 E CA -0.618 55.580 56.400 -0.336 0.000 0.814 106 E CB 1.536 31.015 29.700 -0.369 0.000 1.296 106 E HN 0.579 nan 8.360 nan 0.000 0.404 107 I N 3.822 124.339 120.570 -0.088 0.000 2.301 107 I HA 0.310 4.466 4.170 -0.024 0.000 0.292 107 I C 0.785 176.835 176.117 -0.112 0.000 1.046 107 I CA 0.181 61.390 61.300 -0.151 0.000 1.282 107 I CB 1.447 39.375 38.000 -0.120 0.000 1.409 107 I HN 0.553 nan 8.210 nan 0.000 0.484 108 G N 6.745 115.450 108.800 -0.158 0.000 2.390 108 G HA2 0.476 4.422 3.960 -0.024 0.000 0.270 108 G HA3 0.476 4.422 3.960 -0.024 0.000 0.270 108 G C -0.147 174.651 174.900 -0.170 0.000 1.211 108 G CA -0.617 44.408 45.100 -0.124 0.000 0.842 108 G HN 0.365 nan 8.290 nan 0.000 0.519 109 R N 1.265 121.681 120.500 -0.142 0.000 2.562 109 R HA 0.441 4.767 4.340 -0.024 0.000 0.298 109 R C 0.950 177.152 176.300 -0.164 0.000 0.961 109 R CA -0.307 55.649 56.100 -0.240 0.000 0.881 109 R CB 1.937 32.117 30.300 -0.200 0.000 1.159 109 R HN 0.593 nan 8.270 nan 0.000 0.450 110 G N 1.631 110.312 108.800 -0.199 0.000 2.557 110 G HA2 -0.072 3.874 3.960 -0.024 0.000 0.213 110 G HA3 -0.072 3.874 3.960 -0.024 0.000 0.213 110 G C 0.276 175.127 174.900 -0.081 0.000 1.221 110 G CA 0.128 45.157 45.100 -0.119 0.000 0.832 110 G HN 0.325 nan 8.290 nan 0.000 0.556 111 Q N 0.954 120.705 119.800 -0.081 0.000 2.697 111 Q HA 0.245 4.570 4.340 -0.024 0.000 0.196 111 Q C -2.058 173.929 176.000 -0.022 0.000 1.121 111 Q CA -1.184 54.594 55.803 -0.042 0.000 1.151 111 Q CB -0.141 28.575 28.738 -0.036 0.000 1.250 111 Q HN 0.249 nan 8.270 nan 0.000 0.658 112 P HA 0.173 nan 4.420 nan 0.000 0.279 112 P C -0.468 176.841 177.300 0.016 0.000 1.252 112 P CA -0.565 62.537 63.100 0.004 0.000 0.811 112 P CB 0.621 32.325 31.700 0.007 0.000 1.035 113 L N 1.150 122.384 121.223 0.019 0.000 2.506 113 L HA 0.423 4.749 4.340 -0.024 0.000 0.281 113 L C 1.296 178.186 176.870 0.034 0.000 1.228 113 L CA 1.827 56.684 54.840 0.029 0.000 0.850 113 L CB -0.611 41.464 42.059 0.027 0.000 1.110 113 L HN 0.818 nan 8.230 nan 0.000 0.496 114 G N 1.373 110.199 108.800 0.043 0.000 2.430 114 G HA2 0.571 4.517 3.960 -0.024 0.000 0.300 114 G HA3 0.571 4.517 3.960 -0.024 0.000 0.300 114 G C -1.651 173.281 174.900 0.052 0.000 1.330 114 G CA -0.017 45.110 45.100 0.045 0.000 0.813 114 G HN 0.766 nan 8.290 nan 0.000 0.487 115 V N -2.500 117.445 119.914 0.052 0.000 3.001 115 V HA 1.067 5.173 4.120 -0.024 0.000 0.314 115 V C 0.191 176.317 176.094 0.054 0.000 1.099 115 V CA -0.188 62.149 62.300 0.062 0.000 0.989 115 V CB 1.585 33.446 31.823 0.063 0.000 1.040 115 V HN 2.090 nan 8.190 nan 0.000 0.434 116 G N 1.821 110.662 108.800 0.068 0.000 2.733 116 G HA2 0.647 4.593 3.960 -0.024 0.000 0.297 116 G HA3 0.647 4.593 3.960 -0.024 0.000 0.297 116 G C -1.433 173.482 174.900 0.025 0.000 1.422 116 G CA -1.015 44.113 45.100 0.046 0.000 0.942 116 G HN 0.916 nan 8.290 nan 0.000 0.510 117 L N 0.536 121.752 121.223 -0.011 0.000 2.399 117 L HA 0.695 5.021 4.340 -0.024 0.000 0.265 117 L C 0.240 177.028 176.870 -0.137 0.000 1.089 117 L CA -0.742 54.039 54.840 -0.099 0.000 0.802 117 L CB 1.797 43.811 42.059 -0.075 0.000 1.180 117 L HN 0.397 nan 8.230 nan 0.000 0.454 118 S N 0.045 115.517 115.700 -0.379 0.000 2.561 118 S HA 0.776 5.232 4.470 -0.024 0.000 0.303 118 S C -0.089 174.262 174.600 -0.415 0.000 1.110 118 S CA -0.646 57.232 58.200 -0.538 0.000 1.034 118 S CB 1.946 64.631 63.200 -0.859 0.000 1.010 118 S HN 0.853 nan 8.310 nan 0.000 0.482 119 G N 1.058 109.612 108.800 -0.409 0.000 2.730 119 G HA2 0.635 4.580 3.960 -0.024 0.000 0.289 119 G HA3 0.635 4.580 3.960 -0.024 0.000 0.289 119 G C -1.843 172.978 174.900 -0.131 0.000 1.341 119 G CA -0.425 44.546 45.100 -0.216 0.000 0.932 119 G HN 0.618 nan 8.290 nan 0.000 0.481 120 H N 0.336 119.346 119.070 -0.100 0.000 2.600 120 H HA 0.416 4.958 4.556 -0.024 0.000 0.357 120 H C -2.037 173.214 175.328 -0.127 0.000 1.106 120 H CA -1.845 54.164 56.048 -0.065 0.000 1.193 120 H CB 3.022 32.811 29.762 0.045 0.000 1.594 120 H HN 0.124 nan 8.280 nan 0.000 0.526 121 P HA -0.049 nan 4.420 nan 0.000 0.219 121 P C -0.225 176.764 177.300 -0.518 0.000 1.146 121 P CA 1.320 64.145 63.100 -0.457 0.000 0.808 121 P CB 0.076 31.298 31.700 -0.798 0.000 0.779 122 F N -3.166 117.073 119.950 0.481 0.000 2.577 122 F HA 0.270 4.783 4.527 -0.023 0.000 0.342 122 F C 0.308 176.071 175.800 -0.062 0.000 1.479 122 F CA -1.264 56.849 58.000 0.190 0.000 1.110 122 F CB -0.232 38.853 39.000 0.142 0.000 1.306 122 F HN -0.214 nan 8.300 nan 0.000 0.554 123 Y N 2.056 122.308 120.300 -0.080 0.000 2.683 123 Y HA -0.022 4.514 4.550 -0.023 0.000 0.340 123 Y C 0.761 176.539 175.900 -0.203 0.000 1.245 123 Y CA 0.146 58.097 58.100 -0.248 0.000 1.485 123 Y CB 0.468 38.801 38.460 -0.212 0.000 1.328 123 Y HN 0.279 nan 8.280 nan 0.000 0.603 124 N N 5.762 124.179 118.700 -0.471 0.000 2.918 124 N HA 0.088 4.814 4.740 -0.024 0.000 0.247 124 N C -1.420 173.983 175.510 -0.179 0.000 1.117 124 N CA -0.248 52.647 53.050 -0.259 0.000 1.005 124 N CB -0.123 38.196 38.487 -0.280 0.000 1.297 124 N HN 0.556 nan 8.380 nan 0.000 0.513 125 K N 3.920 124.287 120.400 -0.054 0.000 2.367 125 K HA 0.153 4.459 4.320 -0.024 0.000 0.263 125 K C 0.376 176.913 176.600 -0.105 0.000 1.000 125 K CA -0.567 55.651 56.287 -0.116 0.000 0.891 125 K CB 1.127 33.381 32.500 -0.410 0.000 1.117 125 K HN 0.292 nan 8.250 nan 0.000 0.443 126 L N 3.971 125.180 121.223 -0.022 0.000 1.971 126 L HA 0.019 4.345 4.340 -0.024 0.000 0.208 126 L C -0.187 176.695 176.870 0.019 0.000 1.083 126 L CA 1.993 56.834 54.840 0.002 0.000 0.753 126 L CB -0.025 42.053 42.059 0.031 0.000 0.893 126 L HN 0.891 nan 8.230 nan 0.000 0.436 127 D N -3.256 117.205 120.400 0.102 0.000 2.665 127 D HA 0.230 4.855 4.640 -0.024 0.000 0.287 127 D C -1.612 174.889 176.300 0.335 0.000 1.266 127 D CA -0.655 53.436 54.000 0.152 0.000 0.830 127 D CB 0.191 41.063 40.800 0.122 0.000 1.356 127 D HN -0.020 nan 8.370 nan 0.000 0.437 128 D N -0.847 119.758 120.400 0.342 0.000 2.339 128 D HA 0.340 4.966 4.640 -0.024 0.000 0.241 128 D C 0.388 176.870 176.300 0.304 0.000 1.183 128 D CA -0.286 53.980 54.000 0.443 0.000 0.859 128 D CB 0.793 41.797 40.800 0.338 0.000 1.067 128 D HN 0.418 nan 8.370 nan 0.000 0.484 129 T N 0.094 114.848 114.554 0.333 0.000 3.223 129 T HA 0.136 4.472 4.350 -0.024 0.000 0.259 129 T C 1.076 175.906 174.700 0.216 0.000 1.015 129 T CA -0.413 61.846 62.100 0.266 0.000 0.908 129 T CB 0.162 69.239 68.868 0.347 0.000 1.054 129 T HN 0.482 nan 8.240 nan 0.000 0.567 130 E N 1.841 122.133 120.200 0.153 0.000 2.140 130 E HA 0.000 4.336 4.350 -0.024 0.000 0.191 130 E C 0.559 177.164 176.600 0.009 0.000 0.973 130 E CA 0.937 57.355 56.400 0.030 0.000 0.829 130 E CB 0.356 29.861 29.700 -0.325 0.000 0.781 130 E HN 0.605 nan 8.360 nan 0.000 0.466 131 S N 0.096 115.807 115.700 0.020 0.000 3.402 131 S HA 0.026 4.481 4.470 -0.024 0.000 0.127 131 S C -0.442 174.172 174.600 0.023 0.000 0.852 131 S CA -0.194 58.009 58.200 0.004 0.000 0.823 131 S CB -0.894 62.280 63.200 -0.043 0.000 1.333 131 S HN 0.205 nan 8.310 nan 0.000 0.663 132 S N 1.297 117.040 115.700 0.073 0.000 2.573 132 S HA 0.050 4.505 4.470 -0.024 0.000 0.297 132 S C 1.170 175.823 174.600 0.089 0.000 1.280 132 S CA 0.002 58.264 58.200 0.103 0.000 1.061 132 S CB 0.056 63.329 63.200 0.122 0.000 0.812 132 S HN 0.531 nan 8.310 nan 0.000 0.500 133 H N 2.565 121.662 119.070 0.043 0.000 2.289 133 H HA -0.114 4.428 4.556 -0.023 0.000 0.294 133 H C 1.125 176.472 175.328 0.032 0.000 1.095 133 H CA 2.122 58.189 56.048 0.032 0.000 1.256 133 H CB -0.279 29.501 29.762 0.029 0.000 1.359 133 H HN 0.886 nan 8.280 nan 0.000 0.487 134 A N -0.826 122.110 122.820 0.195 0.000 3.065 134 A HA 0.645 4.951 4.320 -0.024 0.000 0.293 134 A C -0.239 177.401 177.584 0.094 0.000 1.213 134 A CA 0.027 52.136 52.037 0.120 0.000 0.667 134 A CB -0.110 18.958 19.000 0.114 0.000 1.412 134 A HN 0.423 nan 8.150 nan 0.000 0.601 135 A N -0.557 122.307 122.820 0.074 0.000 2.557 135 A HA 0.468 4.774 4.320 -0.024 0.000 0.257 135 A C 0.823 178.447 177.584 0.067 0.000 1.148 135 A CA 1.232 53.308 52.037 0.064 0.000 0.850 135 A CB -0.779 18.250 19.000 0.049 0.000 1.089 135 A HN 2.151 nan 8.150 nan 0.000 0.525 136 T N -2.225 112.365 114.554 0.060 0.000 2.858 136 T HA 0.648 4.984 4.350 -0.024 0.000 0.285 136 T C 0.313 175.038 174.700 0.041 0.000 1.052 136 T CA -0.023 62.112 62.100 0.059 0.000 1.009 136 T CB 0.637 69.548 68.868 0.073 0.000 1.241 136 T HN 1.635 nan 8.240 nan 0.000 0.542 137 S N 0.882 116.604 115.700 0.036 0.000 2.580 137 S HA 0.118 4.573 4.470 -0.024 0.000 0.261 137 S C 0.246 174.857 174.600 0.018 0.000 1.366 137 S CA -0.563 57.651 58.200 0.023 0.000 0.996 137 S CB -0.497 62.714 63.200 0.018 0.000 0.902 137 S HN 0.901 nan 8.310 nan 0.000 0.566 138 N N -0.194 118.513 118.700 0.011 0.000 2.497 138 N HA 0.136 4.861 4.740 -0.024 0.000 0.271 138 N C 0.105 175.615 175.510 0.001 0.000 1.142 138 N CA -0.443 52.611 53.050 0.007 0.000 0.965 138 N CB 0.514 39.004 38.487 0.005 0.000 1.077 138 N HN 0.493 nan 8.380 nan 0.000 0.462 139 V N 3.055 122.968 119.914 -0.001 0.000 3.199 139 V HA -0.092 4.014 4.120 -0.024 0.000 0.327 139 V C 1.814 177.900 176.094 -0.013 0.000 1.237 139 V CA 0.745 63.039 62.300 -0.009 0.000 1.415 139 V CB -2.113 29.703 31.823 -0.012 0.000 1.084 139 V HN 0.772 nan 8.190 nan 0.000 0.416 140 S N 0.801 116.494 115.700 -0.011 0.000 2.343 140 S HA -0.153 4.302 4.470 -0.024 0.000 0.212 140 S C 1.520 176.108 174.600 -0.019 0.000 1.033 140 S CA 1.477 59.669 58.200 -0.012 0.000 1.004 140 S CB 0.102 63.296 63.200 -0.009 0.000 0.977 140 S HN 0.712 nan 8.310 nan 0.000 0.427 141 E N -0.716 119.472 120.200 -0.021 0.000 1.964 141 E HA 0.048 4.383 4.350 -0.024 0.000 0.242 141 E C -1.462 175.116 176.600 -0.037 0.000 1.079 141 E CA 0.344 56.726 56.400 -0.029 0.000 1.600 141 E CB 0.215 29.898 29.700 -0.027 0.000 3.831 141 E HN 0.381 nan 8.360 nan 0.000 0.963 142 D N 0.576 120.957 120.400 -0.032 0.000 2.358 142 D HA 0.283 4.909 4.640 -0.024 0.000 0.253 142 D C -0.583 175.706 176.300 -0.019 0.000 1.288 142 D CA -0.203 53.773 54.000 -0.039 0.000 0.950 142 D CB 1.903 42.671 40.800 -0.054 0.000 1.197 142 D HN 0.019 nan 8.370 nan 0.000 0.550 143 V N 3.863 123.769 119.914 -0.015 0.000 3.070 143 V HA 0.276 4.382 4.120 -0.024 0.000 0.345 143 V C 0.944 177.039 176.094 0.001 0.000 1.403 143 V CA -0.386 61.911 62.300 -0.005 0.000 1.155 143 V CB -0.399 31.417 31.823 -0.012 0.000 1.140 143 V HN 0.311 nan 8.190 nan 0.000 0.505 144 R N 1.704 122.220 120.500 0.027 0.000 2.537 144 R HA 0.328 4.654 4.340 -0.024 0.000 0.280 144 R C -0.662 175.695 176.300 0.095 0.000 1.058 144 R CA 0.262 56.399 56.100 0.062 0.000 1.057 144 R CB 0.521 30.899 30.300 0.129 0.000 0.973 144 R HN 0.345 nan 8.270 nan 0.000 0.438 145 D N 0.731 121.154 120.400 0.038 0.000 2.450 145 D HA 0.099 4.725 4.640 -0.024 0.000 0.238 145 D C -0.728 175.552 176.300 -0.033 0.000 1.020 145 D CA -0.680 53.311 54.000 -0.014 0.000 1.010 145 D CB 1.352 42.095 40.800 -0.094 0.000 1.342 145 D HN 0.333 nan 8.370 nan 0.000 0.530 146 N N 1.148 119.801 118.700 -0.078 0.000 2.414 146 N HA 0.277 5.003 4.740 -0.024 0.000 0.256 146 N C -0.946 174.484 175.510 -0.134 0.000 1.029 146 N CA -0.281 52.709 53.050 -0.101 0.000 0.948 146 N CB 0.715 39.130 38.487 -0.122 0.000 1.102 146 N HN 0.273 nan 8.380 nan 0.000 0.496 147 V N 1.030 120.847 119.914 -0.163 0.000 3.040 147 V HA 0.872 4.977 4.120 -0.024 0.000 0.312 147 V C -0.215 175.749 176.094 -0.215 0.000 1.115 147 V CA -0.793 61.349 62.300 -0.264 0.000 0.998 147 V CB 1.451 32.953 31.823 -0.536 0.000 1.042 147 V HN 0.692 nan 8.190 nan 0.000 0.433 148 S N 1.625 117.220 115.700 -0.175 0.000 2.709 148 S HA 0.956 5.411 4.470 -0.024 0.000 0.302 148 S C -0.746 173.778 174.600 -0.126 0.000 1.127 148 S CA -0.481 57.625 58.200 -0.156 0.000 0.905 148 S CB 1.767 64.891 63.200 -0.127 0.000 1.151 148 S HN 2.193 nan 8.310 nan 0.000 0.510 149 V N 1.238 121.054 119.914 -0.163 0.000 3.023 149 V HA 0.408 4.513 4.120 -0.024 0.000 0.294 149 V C -2.114 173.833 176.094 -0.245 0.000 1.324 149 V CA -0.751 61.475 62.300 -0.123 0.000 0.979 149 V CB 2.091 33.919 31.823 0.008 0.000 1.093 149 V HN 1.176 nan 8.190 nan 0.000 0.434 150 D N 5.508 125.819 120.400 -0.149 0.000 2.277 150 D HA 0.253 4.879 4.640 -0.024 0.000 0.249 150 D C -0.192 176.068 176.300 -0.067 0.000 1.134 150 D CA -0.051 53.868 54.000 -0.134 0.000 0.863 150 D CB 0.851 41.635 40.800 -0.026 0.000 1.143 150 D HN 0.565 nan 8.370 nan 0.000 0.458 151 Y N 0.529 120.750 120.300 -0.131 0.000 2.188 151 Y HA 0.026 4.560 4.550 -0.027 0.000 0.360 151 Y C 1.671 177.544 175.900 -0.044 0.000 1.324 151 Y CA -0.973 57.010 58.100 -0.196 0.000 1.726 151 Y CB 0.761 38.852 38.460 -0.615 0.000 1.536 151 Y HN 0.290 nan 8.280 nan 0.000 0.628 152 K N 1.624 122.119 120.400 0.157 0.000 2.469 152 K HA -0.084 4.222 4.320 -0.024 0.000 0.274 152 K C -0.552 176.190 176.600 0.237 0.000 0.983 152 K CA -0.225 56.134 56.287 0.120 0.000 0.974 152 K CB 0.454 32.993 32.500 0.065 0.000 0.913 152 K HN 0.653 nan 8.250 nan 0.000 0.493 153 Q N 2.398 122.306 119.800 0.181 0.000 2.257 153 Q HA 0.243 4.569 4.340 -0.024 0.000 0.255 153 Q C -1.424 174.669 176.000 0.155 0.000 0.920 153 Q CA -0.469 55.447 55.803 0.190 0.000 0.927 153 Q CB 1.547 30.370 28.738 0.142 0.000 1.229 153 Q HN 0.684 nan 8.270 nan 0.000 0.433 154 T N 3.604 118.251 114.554 0.156 0.000 2.933 154 T HA 0.422 4.757 4.350 -0.024 0.000 0.305 154 T C -1.232 173.536 174.700 0.113 0.000 1.092 154 T CA -0.745 61.435 62.100 0.134 0.000 1.008 154 T CB 1.735 70.698 68.868 0.160 0.000 1.102 154 T HN 0.606 nan 8.240 nan 0.000 0.469 155 Q N 1.848 121.703 119.800 0.091 0.000 2.263 155 Q HA 0.674 4.999 4.340 -0.024 0.000 0.266 155 Q C -1.468 174.592 176.000 0.100 0.000 1.002 155 Q CA -0.955 54.904 55.803 0.092 0.000 0.790 155 Q CB 2.347 31.026 28.738 -0.097 0.000 1.272 155 Q HN 0.631 nan 8.270 nan 0.000 0.435 156 L N -0.838 120.522 121.223 0.227 0.000 2.469 156 L HA 0.975 5.300 4.340 -0.024 0.000 0.256 156 L C -1.470 175.594 176.870 0.324 0.000 1.006 156 L CA -0.789 54.175 54.840 0.207 0.000 0.832 156 L CB 2.156 44.335 42.059 0.201 0.000 1.421 156 L HN 0.702 nan 8.230 nan 0.000 0.410 157 C N 2.890 122.340 119.300 0.250 0.000 2.642 157 C HA 0.859 5.304 4.460 -0.024 0.000 0.344 157 C C -1.183 173.934 174.990 0.211 0.000 1.110 157 C CA -0.354 58.840 59.018 0.293 0.000 1.298 157 C CB 0.343 28.354 27.740 0.452 0.000 1.827 157 C HN 0.863 nan 8.230 nan 0.000 0.467 158 I N 5.988 126.686 120.570 0.215 0.000 2.533 158 I HA 0.493 4.648 4.170 -0.024 0.000 0.290 158 I C -0.734 175.503 176.117 0.200 0.000 1.056 158 I CA -0.612 60.799 61.300 0.185 0.000 1.057 158 I CB 1.799 39.842 38.000 0.072 0.000 1.240 158 I HN 0.489 nan 8.210 nan 0.000 0.423 159 L N 4.598 125.970 121.223 0.248 0.000 2.346 159 L HA 0.937 5.262 4.340 -0.024 0.000 0.274 159 L C 0.176 176.831 176.870 -0.359 0.000 1.007 159 L CA -0.457 54.459 54.840 0.127 0.000 0.818 159 L CB 2.056 44.332 42.059 0.362 0.000 1.284 159 L HN 0.832 nan 8.230 nan 0.000 0.424 160 G N -0.176 108.304 108.800 -0.533 0.000 2.506 160 G HA2 0.342 4.287 3.960 -0.024 0.000 0.292 160 G HA3 0.342 4.287 3.960 -0.024 0.000 0.292 160 G C -0.735 174.004 174.900 -0.268 0.000 1.425 160 G CA -0.343 44.162 45.100 -0.991 0.000 0.788 160 G HN 0.740 nan 8.290 nan 0.000 0.490 161 C N -0.772 118.482 119.300 -0.077 0.000 2.395 161 C HA 0.837 5.283 4.460 -0.024 0.000 0.315 161 C C 0.686 175.812 174.990 0.226 0.000 1.399 161 C CA -0.294 58.868 59.018 0.242 0.000 1.788 161 C CB -1.651 26.293 27.740 0.339 0.000 2.564 161 C HN 1.756 nan 8.230 nan 0.000 0.552 162 A N 1.084 123.870 122.820 -0.056 0.000 2.582 162 A HA 0.831 5.137 4.320 -0.024 0.000 0.297 162 A C -3.098 173.884 177.584 -1.003 0.000 1.059 162 A CA -0.816 50.929 52.037 -0.487 0.000 0.705 162 A CB 0.866 19.753 19.000 -0.189 0.000 1.279 162 A HN 0.186 nan 8.150 nan 0.000 0.404 163 P HA 0.368 nan 4.420 nan 0.000 0.269 163 P C 0.235 177.198 177.300 -0.562 0.000 1.215 163 P CA 0.384 62.705 63.100 -1.298 0.000 0.780 163 P CB 0.904 31.881 31.700 -1.204 0.000 0.898 164 A N 2.809 125.408 122.820 -0.368 0.000 2.366 164 A HA 0.386 4.692 4.320 -0.024 0.000 0.249 164 A C 0.156 177.594 177.584 -0.243 0.000 1.084 164 A CA -0.129 51.750 52.037 -0.263 0.000 0.794 164 A CB -0.361 18.508 19.000 -0.218 0.000 1.034 164 A HN 0.440 nan 8.150 nan 0.000 0.491 165 I N 0.266 120.702 120.570 -0.222 0.000 2.460 165 I HA 0.597 4.753 4.170 -0.024 0.000 0.298 165 I C 0.846 176.832 176.117 -0.218 0.000 0.989 165 I CA 0.343 61.528 61.300 -0.193 0.000 1.173 165 I CB 1.796 39.710 38.000 -0.144 0.000 1.338 165 I HN 0.738 nan 8.210 nan 0.000 0.456 166 G N 3.658 112.350 108.800 -0.180 0.000 2.714 166 G HA2 0.804 4.750 3.960 -0.024 0.000 0.292 166 G HA3 0.804 4.750 3.960 -0.024 0.000 0.292 166 G C -1.496 173.367 174.900 -0.061 0.000 1.308 166 G CA -0.495 44.509 45.100 -0.159 0.000 0.964 166 G HN 0.624 nan 8.290 nan 0.000 0.484 167 E N -0.891 119.317 120.200 0.014 0.000 2.367 167 E HA 0.673 5.009 4.350 -0.024 0.000 0.273 167 E C -1.363 175.283 176.600 0.077 0.000 0.903 167 E CA -1.015 55.375 56.400 -0.017 0.000 0.764 167 E CB 2.430 32.093 29.700 -0.061 0.000 1.252 167 E HN 0.797 nan 8.360 nan 0.000 0.446 168 H N 0.032 118.978 119.070 -0.207 0.000 2.967 168 H HA 0.274 4.816 4.556 -0.024 0.000 0.318 168 H C -1.884 173.204 175.328 -0.400 0.000 1.375 168 H CA -1.181 54.754 56.048 -0.188 0.000 1.132 168 H CB 0.186 29.932 29.762 -0.028 0.000 1.848 168 H HN 0.628 nan 8.280 nan 0.000 0.524 169 W N 1.107 122.380 121.300 -0.046 0.000 2.351 169 W HA 0.693 5.338 4.660 -0.025 0.000 0.311 169 W C 0.096 176.562 176.519 -0.088 0.000 1.168 169 W CA 0.116 57.389 57.345 -0.120 0.000 1.200 169 W CB 1.613 31.029 29.460 -0.073 0.000 1.221 169 W HN 0.845 nan 8.180 nan 0.000 0.519 170 A N 2.651 125.477 122.820 0.010 0.000 2.483 170 A HA 0.642 4.947 4.320 -0.024 0.000 0.286 170 A C -1.077 176.542 177.584 0.057 0.000 1.207 170 A CA -1.133 50.934 52.037 0.050 0.000 0.764 170 A CB 1.378 20.382 19.000 0.008 0.000 1.341 170 A HN 0.524 nan 8.150 nan 0.000 0.428 171 K N 0.841 121.269 120.400 0.045 0.000 2.349 171 K HA 0.374 4.679 4.320 -0.024 0.000 0.289 171 K C 0.497 177.111 176.600 0.024 0.000 1.064 171 K CA 0.150 56.457 56.287 0.034 0.000 0.947 171 K CB 0.156 32.671 32.500 0.025 0.000 1.007 171 K HN 0.856 nan 8.250 nan 0.000 0.478 172 G N 2.794 111.611 108.800 0.028 0.000 2.554 172 G HA2 -0.006 3.940 3.960 -0.024 0.000 0.238 172 G HA3 -0.006 3.940 3.960 -0.024 0.000 0.238 172 G C -0.412 174.495 174.900 0.010 0.000 1.259 172 G CA -0.467 44.644 45.100 0.019 0.000 0.843 172 G HN 0.666 nan 8.290 nan 0.000 0.582 173 T N 1.005 115.562 114.554 0.004 0.000 2.853 173 T HA 0.403 4.739 4.350 -0.024 0.000 0.298 173 T C 0.829 175.531 174.700 0.004 0.000 0.978 173 T CA 0.240 62.342 62.100 0.003 0.000 1.152 173 T CB 1.095 69.962 68.868 -0.001 0.000 0.914 173 T HN 0.859 nan 8.240 nan 0.000 0.539 174 A N 4.149 126.971 122.820 0.003 0.000 2.515 174 A HA 0.419 4.724 4.320 -0.024 0.000 0.263 174 A C 0.989 178.574 177.584 0.001 0.000 1.096 174 A CA -0.709 51.330 52.037 0.002 0.000 0.769 174 A CB -0.318 18.683 19.000 0.002 0.000 1.040 174 A HN 0.943 nan 8.150 nan 0.000 0.505 175 S N 2.529 118.229 115.700 0.001 0.000 2.564 175 S HA 0.202 4.658 4.470 -0.024 0.000 0.278 175 S C 0.988 175.588 174.600 -0.000 0.000 1.333 175 S CA -0.012 58.189 58.200 0.001 0.000 1.048 175 S CB 1.062 64.262 63.200 0.001 0.000 0.900 175 S HN 0.807 nan 8.310 nan 0.000 0.505 176 K N 2.118 122.517 120.400 -0.001 0.000 2.025 176 K HA -0.125 4.181 4.320 -0.024 0.000 0.207 176 K C 2.224 178.823 176.600 -0.001 0.000 1.049 176 K CA 1.490 57.776 56.287 -0.001 0.000 0.933 176 K CB -0.917 31.583 32.500 -0.001 0.000 0.714 176 K HN 0.698 nan 8.250 nan 0.000 0.438 177 S N 0.521 116.221 115.700 -0.001 0.000 2.387 177 S HA -0.157 4.299 4.470 -0.024 0.000 0.230 177 S C 1.298 175.898 174.600 -0.001 0.000 1.035 177 S CA 0.775 58.974 58.200 -0.001 0.000 1.014 177 S CB -0.190 63.010 63.200 -0.001 0.000 0.836 177 S HN 0.273 nan 8.310 nan 0.000 0.466 178 R N 1.986 122.486 120.500 -0.001 0.000 2.629 178 R HA 0.441 4.767 4.340 -0.024 0.000 0.275 178 R C -2.936 173.364 176.300 -0.001 0.000 1.719 178 R CA -2.159 53.940 56.100 -0.001 0.000 1.472 178 R CB 1.199 31.499 30.300 -0.000 0.000 1.237 178 R HN 0.396 nan 8.270 nan 0.000 0.589 179 P HA 0.095 nan 4.420 nan 0.000 0.282 179 P C -0.647 176.652 177.300 -0.002 0.000 1.286 179 P CA -0.614 62.485 63.100 -0.001 0.000 0.777 179 P CB 1.096 32.795 31.700 -0.002 0.000 1.184 180 L N 0.192 121.414 121.223 -0.002 0.000 2.353 180 L HA 0.292 4.618 4.340 -0.024 0.000 0.270 180 L C 0.286 177.154 176.870 -0.004 0.000 1.003 180 L CA -0.515 54.323 54.840 -0.003 0.000 0.862 180 L CB 0.556 42.614 42.059 -0.002 0.000 1.221 180 L HN 0.372 nan 8.230 nan 0.000 0.430 181 S N 2.706 118.404 115.700 -0.004 0.000 2.558 181 S HA 0.014 4.469 4.470 -0.024 0.000 0.291 181 S C 0.232 174.829 174.600 -0.006 0.000 1.306 181 S CA -0.119 58.078 58.200 -0.005 0.000 1.056 181 S CB 0.346 63.542 63.200 -0.005 0.000 0.836 181 S HN 0.657 nan 8.310 nan 0.000 0.504 182 Q N 2.663 122.459 119.800 -0.006 0.000 2.286 182 Q HA 0.415 4.741 4.340 -0.024 0.000 0.290 182 Q C 1.162 177.157 176.000 -0.009 0.000 1.049 182 Q CA 1.651 57.450 55.803 -0.008 0.000 0.923 182 Q CB 0.184 28.917 28.738 -0.008 0.000 1.183 182 Q HN 1.064 nan 8.270 nan 0.000 0.383 183 G N 3.300 112.094 108.800 -0.011 0.000 2.339 183 G HA2 -0.211 3.735 3.960 -0.024 0.000 0.209 183 G HA3 -0.211 3.735 3.960 -0.024 0.000 0.209 183 G C -0.297 174.595 174.900 -0.014 0.000 1.015 183 G CA -0.113 44.979 45.100 -0.013 0.000 0.635 183 G HN 0.636 nan 8.290 nan 0.000 0.499 184 D N 0.399 120.792 120.400 -0.011 0.000 2.362 184 D HA 0.455 5.080 4.640 -0.024 0.000 0.242 184 D C 0.737 177.029 176.300 -0.013 0.000 1.132 184 D CA 0.249 54.242 54.000 -0.012 0.000 0.907 184 D CB 1.232 42.027 40.800 -0.009 0.000 1.195 184 D HN 0.491 nan 8.370 nan 0.000 0.429 185 C N 4.424 123.715 119.300 -0.016 0.000 2.482 185 C HA 0.413 4.859 4.460 -0.024 0.000 0.378 185 C C -1.820 173.162 174.990 -0.014 0.000 1.284 185 C CA -1.453 57.555 59.018 -0.018 0.000 1.826 185 C CB -0.684 27.042 27.740 -0.024 0.000 2.473 185 C HN 0.487 nan 8.230 nan 0.000 0.562 186 P HA 0.321 nan 4.420 nan 0.000 0.273 186 P C -2.743 174.557 177.300 -0.001 0.000 1.250 186 P CA -0.706 62.393 63.100 -0.003 0.000 0.793 186 P CB 0.045 31.746 31.700 0.001 0.000 1.011 187 P HA 0.264 nan 4.420 nan 0.000 0.292 187 P C -0.623 176.701 177.300 0.040 0.000 1.283 187 P CA -0.395 62.715 63.100 0.016 0.000 0.835 187 P CB 0.853 32.564 31.700 0.018 0.000 1.017 188 L N 1.736 122.996 121.223 0.062 0.000 2.399 188 L HA 0.493 4.819 4.340 -0.024 0.000 0.266 188 L C 0.773 177.795 176.870 0.253 0.000 1.114 188 L CA 0.021 54.957 54.840 0.161 0.000 0.804 188 L CB 0.079 42.242 42.059 0.174 0.000 1.146 188 L HN 0.593 nan 8.230 nan 0.000 0.451 189 E N 1.686 122.033 120.200 0.246 0.000 2.290 189 E HA 0.296 4.631 4.350 -0.024 0.000 0.274 189 E C -1.684 174.807 176.600 -0.182 0.000 0.889 189 E CA -0.861 55.592 56.400 0.088 0.000 0.760 189 E CB 2.584 32.286 29.700 0.005 0.000 1.206 189 E HN 0.382 nan 8.360 nan 0.000 0.419 190 L N 4.147 125.087 121.223 -0.471 0.000 2.360 190 L HA 0.334 4.659 4.340 -0.024 0.000 0.276 190 L C -0.697 175.837 176.870 -0.560 0.000 1.121 190 L CA 0.461 54.748 54.840 -0.922 0.000 0.845 190 L CB 0.389 41.922 42.059 -0.878 0.000 1.143 190 L HN 0.444 nan 8.230 nan 0.000 0.452 191 K N 4.030 124.056 120.400 -0.624 0.000 2.270 191 K HA 0.404 4.710 4.320 -0.024 0.000 0.255 191 K C -0.849 175.566 176.600 -0.309 0.000 0.936 191 K CA -0.935 55.096 56.287 -0.426 0.000 0.809 191 K CB 1.355 33.573 32.500 -0.470 0.000 1.131 191 K HN 0.561 nan 8.250 nan 0.000 0.427 192 N N 1.256 119.852 118.700 -0.174 0.000 2.479 192 N HA 0.249 4.974 4.740 -0.024 0.000 0.285 192 N C -0.709 174.767 175.510 -0.056 0.000 1.075 192 N CA 0.126 53.112 53.050 -0.107 0.000 0.967 192 N CB 1.849 40.280 38.487 -0.093 0.000 1.137 192 N HN 0.540 nan 8.380 nan 0.000 0.472 193 T N -0.278 114.254 114.554 -0.037 0.000 2.932 193 T HA 0.298 4.633 4.350 -0.024 0.000 0.318 193 T C -0.938 173.720 174.700 -0.070 0.000 1.265 193 T CA -0.613 61.473 62.100 -0.024 0.000 1.036 193 T CB 0.757 69.647 68.868 0.036 0.000 1.209 193 T HN 0.034 nan 8.240 nan 0.000 0.484 194 V N 5.335 125.207 119.914 -0.069 0.000 2.529 194 V HA 0.232 4.338 4.120 -0.024 0.000 0.292 194 V C 0.671 176.682 176.094 -0.137 0.000 1.028 194 V CA -0.195 62.045 62.300 -0.099 0.000 1.074 194 V CB 0.365 32.154 31.823 -0.056 0.000 0.958 194 V HN 0.738 nan 8.190 nan 0.000 0.481 195 L N 6.302 127.407 121.223 -0.198 0.000 2.433 195 L HA 0.253 4.578 4.340 -0.024 0.000 0.275 195 L C 0.546 177.351 176.870 -0.107 0.000 1.128 195 L CA 0.385 55.061 54.840 -0.273 0.000 0.875 195 L CB -0.053 41.730 42.059 -0.460 0.000 1.171 195 L HN 0.697 nan 8.230 nan 0.000 0.463 196 E N 1.657 121.785 120.200 -0.121 0.000 2.212 196 E HA 0.198 4.533 4.350 -0.024 0.000 0.270 196 E C -0.971 175.620 176.600 -0.015 0.000 0.956 196 E CA -0.973 55.370 56.400 -0.095 0.000 0.825 196 E CB 1.655 31.205 29.700 -0.250 0.000 1.167 196 E HN 0.430 nan 8.360 nan 0.000 0.400 197 D N 0.059 120.482 120.400 0.038 0.000 2.450 197 D HA 0.199 4.824 4.640 -0.024 0.000 0.247 197 D C 0.838 177.161 176.300 0.038 0.000 1.162 197 D CA 1.786 55.822 54.000 0.059 0.000 0.879 197 D CB 0.296 41.141 40.800 0.074 0.000 1.163 197 D HN 0.587 nan 8.370 nan 0.000 0.472 198 G N 3.404 112.258 108.800 0.089 0.000 2.259 198 G HA2 -0.216 3.730 3.960 -0.024 0.000 0.217 198 G HA3 -0.216 3.730 3.960 -0.024 0.000 0.217 198 G C -0.023 174.950 174.900 0.123 0.000 1.001 198 G CA -0.049 45.104 45.100 0.089 0.000 0.627 198 G HN 0.624 nan 8.290 nan 0.000 0.501 199 D N 1.957 122.435 120.400 0.132 0.000 2.399 199 D HA 0.411 5.037 4.640 -0.024 0.000 0.241 199 D C 1.170 177.655 176.300 0.309 0.000 1.133 199 D CA 0.162 54.252 54.000 0.150 0.000 0.890 199 D CB 0.505 41.330 40.800 0.042 0.000 1.201 199 D HN 0.048 nan 8.370 nan 0.000 0.432 200 M N 1.207 120.956 119.600 0.248 0.000 2.242 200 M HA 0.122 4.588 4.480 -0.024 0.000 0.344 200 M C 0.294 176.801 176.300 0.345 0.000 1.140 200 M CA -0.636 54.820 55.300 0.260 0.000 1.160 200 M CB 0.734 33.440 32.600 0.177 0.000 1.491 200 M HN 0.156 nan 8.290 nan 0.000 0.459 201 V N -0.655 119.378 119.914 0.198 0.000 3.170 201 V HA 0.378 4.484 4.120 -0.024 0.000 0.309 201 V C 0.145 176.343 176.094 0.173 0.000 1.071 201 V CA -1.186 61.208 62.300 0.157 0.000 1.063 201 V CB 0.703 32.485 31.823 -0.069 0.000 1.123 201 V HN 0.798 nan 8.190 nan 0.000 0.464 202 D N 1.538 122.072 120.400 0.224 0.000 2.426 202 D HA 0.057 4.683 4.640 -0.024 0.000 0.261 202 D C 1.268 177.588 176.300 0.034 0.000 1.245 202 D CA 0.928 55.023 54.000 0.158 0.000 0.917 202 D CB 1.063 41.950 40.800 0.145 0.000 1.123 202 D HN 0.975 nan 8.370 nan 0.000 0.508 203 T N 0.666 115.142 114.554 -0.130 0.000 3.086 203 T HA 0.341 4.677 4.350 -0.024 0.000 0.250 203 T C 1.307 175.867 174.700 -0.233 0.000 1.074 203 T CA 0.347 62.197 62.100 -0.417 0.000 0.988 203 T CB 0.259 68.277 68.868 -1.416 0.000 0.988 203 T HN 0.581 nan 8.240 nan 0.000 0.530 204 G N 0.169 108.923 108.800 -0.077 0.000 2.370 204 G HA2 -0.119 3.827 3.960 -0.024 0.000 0.174 204 G HA3 -0.119 3.827 3.960 -0.024 0.000 0.174 204 G C 0.072 174.867 174.900 -0.175 0.000 1.002 204 G CA -0.300 44.725 45.100 -0.126 0.000 0.730 204 G HN 0.478 nan 8.290 nan 0.000 0.497 205 Y N 1.423 121.754 120.300 0.053 0.000 2.720 205 Y HA 0.488 5.025 4.550 -0.021 0.000 0.277 205 Y C 1.409 177.460 175.900 0.251 0.000 1.144 205 Y CA 0.400 58.597 58.100 0.162 0.000 1.221 205 Y CB 0.917 39.489 38.460 0.188 0.000 1.163 205 Y HN 0.970 nan 8.280 nan 0.000 0.537 206 G N 0.842 109.802 108.800 0.266 0.000 2.730 206 G HA2 0.054 3.999 3.960 -0.024 0.000 0.686 206 G HA3 0.054 3.999 3.960 -0.024 0.000 0.686 206 G C -0.523 174.534 174.900 0.261 0.000 1.343 206 G CA -0.667 44.549 45.100 0.193 0.000 0.826 206 G HN 0.586 nan 8.290 nan 0.000 0.582 207 A N 1.370 124.329 122.820 0.232 0.000 2.506 207 A HA 0.747 5.052 4.320 -0.024 0.000 0.320 207 A C 0.628 178.376 177.584 0.273 0.000 1.424 207 A CA 0.903 53.107 52.037 0.278 0.000 1.044 207 A CB -0.604 18.568 19.000 0.286 0.000 1.140 207 A HN 1.919 nan 8.150 nan 0.000 0.538 208 M N 0.072 119.722 119.600 0.083 0.000 2.779 208 M HA 0.583 5.048 4.480 -0.024 0.000 0.277 208 M C -1.434 174.793 176.300 -0.122 0.000 1.284 208 M CA -0.893 54.395 55.300 -0.020 0.000 0.801 208 M CB 1.522 33.947 32.600 -0.292 0.000 1.712 208 M HN 0.228 nan 8.290 nan 0.000 0.453 209 D N 0.833 121.232 120.400 -0.003 0.000 2.468 209 D HA 0.323 4.949 4.640 -0.024 0.000 0.218 209 D C -0.096 176.163 176.300 -0.068 0.000 1.155 209 D CA -0.289 53.712 54.000 0.003 0.000 0.924 209 D CB -0.076 40.798 40.800 0.123 0.000 1.029 209 D HN 0.543 nan 8.370 nan 0.000 0.515 210 F N 1.300 121.282 119.950 0.053 0.000 2.333 210 F HA -0.168 4.345 4.527 -0.025 0.000 0.300 210 F C 2.678 178.489 175.800 0.019 0.000 1.083 210 F CA 0.965 58.981 58.000 0.027 0.000 1.395 210 F CB -0.210 38.791 39.000 0.001 0.000 1.056 210 F HN 0.368 nan 8.300 nan 0.000 0.529 211 S N -1.009 114.804 115.700 0.188 0.000 2.387 211 S HA -0.159 4.297 4.470 -0.024 0.000 0.226 211 S C 1.956 176.601 174.600 0.075 0.000 1.026 211 S CA 1.397 59.667 58.200 0.117 0.000 0.972 211 S CB -1.072 62.185 63.200 0.094 0.000 0.814 211 S HN 0.447 nan 8.310 nan 0.000 0.477 212 T N -1.989 112.601 114.554 0.061 0.000 3.022 212 T HA 0.358 4.694 4.350 -0.024 0.000 0.250 212 T C 1.299 176.012 174.700 0.023 0.000 1.060 212 T CA -0.096 62.028 62.100 0.039 0.000 1.013 212 T CB -0.040 68.853 68.868 0.042 0.000 0.982 212 T HN 0.216 nan 8.240 nan 0.000 0.508 213 L N 0.462 121.691 121.223 0.010 0.000 2.515 213 L HA 0.465 4.790 4.340 -0.024 0.000 0.223 213 L C 0.556 177.424 176.870 -0.003 0.000 1.079 213 L CA 0.714 55.547 54.840 -0.012 0.000 0.857 213 L CB 0.113 42.135 42.059 -0.061 0.000 1.050 213 L HN 0.329 nan 8.230 nan 0.000 0.476 214 Q N -0.443 119.374 119.800 0.029 0.000 2.413 214 Q HA 0.158 4.484 4.340 -0.024 0.000 0.258 214 Q C -0.167 175.848 176.000 0.025 0.000 1.037 214 Q CA -0.373 55.450 55.803 0.032 0.000 0.764 214 Q CB 1.364 30.144 28.738 0.070 0.000 1.217 214 Q HN -0.021 nan 8.270 nan 0.000 0.490 215 D N 0.826 121.229 120.400 0.005 0.000 2.263 215 D HA -0.120 4.506 4.640 -0.024 0.000 0.208 215 D C 1.224 177.519 176.300 -0.008 0.000 0.971 215 D CA 1.391 55.391 54.000 -0.000 0.000 0.867 215 D CB 0.372 41.166 40.800 -0.010 0.000 0.929 215 D HN 0.443 nan 8.370 nan 0.000 0.492 216 T N -0.199 114.341 114.554 -0.022 0.000 2.809 216 T HA -0.046 4.289 4.350 -0.024 0.000 0.260 216 T C 0.948 175.633 174.700 -0.026 0.000 1.039 216 T CA 0.907 62.981 62.100 -0.042 0.000 1.141 216 T CB 0.163 68.984 68.868 -0.078 0.000 0.869 216 T HN 0.123 nan 8.240 nan 0.000 0.437 217 K N -1.489 118.902 120.400 -0.014 0.000 3.434 217 K HA -0.127 4.179 4.320 -0.024 0.000 0.303 217 K C -0.015 176.586 176.600 0.002 0.000 1.351 217 K CA 0.433 56.742 56.287 0.038 0.000 0.900 217 K CB -2.097 30.450 32.500 0.078 0.000 1.385 217 K HN 0.390 nan 8.250 nan 0.000 0.477 218 C N 0.334 119.512 119.300 -0.203 0.000 3.596 218 C HA 0.136 4.582 4.460 -0.024 0.000 0.268 218 C C 1.416 176.064 174.990 -0.571 0.000 1.912 218 C CA -0.631 58.061 59.018 -0.544 0.000 1.721 218 C CB 0.190 27.736 27.740 -0.324 0.000 3.328 218 C HN 0.316 nan 8.230 nan 0.000 0.500 219 E N 1.437 121.390 120.200 -0.412 0.000 2.371 219 E HA 0.088 4.424 4.350 -0.024 0.000 0.194 219 E C 0.728 176.952 176.600 -0.627 0.000 1.012 219 E CA 0.892 57.014 56.400 -0.463 0.000 0.860 219 E CB 0.366 29.955 29.700 -0.186 0.000 0.811 219 E HN 0.640 nan 8.360 nan 0.000 0.502 220 V N -3.185 116.416 119.914 -0.521 0.000 3.216 220 V HA 0.483 4.589 4.120 -0.024 0.000 0.302 220 V C -3.057 172.935 176.094 -0.171 0.000 1.286 220 V CA -2.971 59.019 62.300 -0.517 0.000 1.048 220 V CB 1.704 33.025 31.823 -0.836 0.000 1.081 220 V HN -0.301 nan 8.190 nan 0.000 0.442 221 P HA 0.188 nan 4.420 nan 0.000 0.268 221 P C 0.854 178.172 177.300 0.029 0.000 1.208 221 P CA -0.077 63.062 63.100 0.064 0.000 0.777 221 P CB 0.434 32.161 31.700 0.045 0.000 0.875 222 L N 2.719 123.936 121.223 -0.010 0.000 2.085 222 L HA -0.265 4.061 4.340 -0.024 0.000 0.218 222 L C 1.707 178.596 176.870 0.032 0.000 1.080 222 L CA 2.265 57.086 54.840 -0.031 0.000 0.776 222 L CB -1.307 40.681 42.059 -0.118 0.000 0.891 222 L HN 0.516 nan 8.230 nan 0.000 0.437 223 D N -1.503 118.899 120.400 0.003 0.000 2.347 223 D HA -0.129 4.497 4.640 -0.024 0.000 0.215 223 D C 1.630 177.973 176.300 0.072 0.000 0.976 223 D CA 1.263 55.325 54.000 0.104 0.000 0.884 223 D CB -0.353 40.553 40.800 0.177 0.000 0.915 223 D HN 0.612 nan 8.370 nan 0.000 0.526 224 I N -3.119 117.430 120.570 -0.036 0.000 4.403 224 I HA 0.236 4.392 4.170 -0.024 0.000 0.331 224 I C 2.106 178.111 176.117 -0.186 0.000 1.327 224 I CA -0.649 60.568 61.300 -0.139 0.000 1.175 224 I CB -0.067 37.705 38.000 -0.379 0.000 1.165 224 I HN -0.001 nan 8.210 nan 0.000 0.413 225 C N 1.950 121.173 119.300 -0.129 0.000 2.381 225 C HA -0.232 4.214 4.460 -0.024 0.000 0.273 225 C C 1.893 176.917 174.990 0.056 0.000 1.160 225 C CA 1.814 60.806 59.018 -0.043 0.000 1.817 225 C CB -0.797 26.988 27.740 0.074 0.000 2.123 225 C HN 0.660 nan 8.230 nan 0.000 0.464 226 Q N 0.628 120.474 119.800 0.077 0.000 2.233 226 Q HA 0.363 4.689 4.340 -0.024 0.000 0.340 226 Q C -0.168 175.898 176.000 0.110 0.000 0.899 226 Q CA 0.106 55.970 55.803 0.102 0.000 1.139 226 Q CB 1.064 29.849 28.738 0.079 0.000 1.273 226 Q HN 0.803 nan 8.270 nan 0.000 0.431 227 S N -0.675 115.111 115.700 0.143 0.000 2.851 227 S HA 0.664 5.120 4.470 -0.024 0.000 0.313 227 S C -0.178 174.540 174.600 0.196 0.000 1.163 227 S CA -0.695 57.585 58.200 0.134 0.000 0.850 227 S CB 1.633 64.896 63.200 0.106 0.000 1.245 227 S HN 0.196 nan 8.310 nan 0.000 0.558 228 I N 0.986 121.625 120.570 0.115 0.000 2.418 228 I HA 0.322 4.478 4.170 -0.024 0.000 0.287 228 I C -1.065 175.114 176.117 0.104 0.000 1.008 228 I CA -0.469 60.863 61.300 0.054 0.000 1.104 228 I CB 1.413 39.301 38.000 -0.188 0.000 1.264 228 I HN 0.525 nan 8.210 nan 0.000 0.438 229 C N 6.699 126.143 119.300 0.239 0.000 2.281 229 C HA 0.329 4.774 4.460 -0.024 0.000 0.336 229 C C 0.549 175.678 174.990 0.231 0.000 1.217 229 C CA -0.675 58.509 59.018 0.277 0.000 1.730 229 C CB -0.606 27.386 27.740 0.419 0.000 2.338 229 C HN 0.660 nan 8.230 nan 0.000 0.521 230 K N 2.303 122.851 120.400 0.248 0.000 2.123 230 K HA 0.579 4.885 4.320 -0.024 0.000 0.248 230 K C -1.116 175.746 176.600 0.437 0.000 0.969 230 K CA -0.551 55.881 56.287 0.241 0.000 0.882 230 K CB 1.679 34.202 32.500 0.039 0.000 1.080 230 K HN 0.606 nan 8.250 nan 0.000 0.441 231 Y N 1.027 121.446 120.300 0.197 0.000 2.442 231 Y HA 0.312 4.847 4.550 -0.026 0.000 0.344 231 Y C -2.745 173.214 175.900 0.097 0.000 0.976 231 Y CA -2.583 55.660 58.100 0.238 0.000 1.040 231 Y CB 1.889 40.478 38.460 0.215 0.000 1.228 231 Y HN 0.401 nan 8.280 nan 0.000 0.451 232 P HA -0.021 nan 4.420 nan 0.000 0.264 232 P C -0.941 175.968 177.300 -0.651 0.000 1.183 232 P CA 0.474 63.178 63.100 -0.661 0.000 0.763 232 P CB 0.477 31.473 31.700 -1.172 0.000 0.807 233 D N 2.774 122.940 120.400 -0.390 0.000 2.524 233 D HA 0.065 4.691 4.640 -0.024 0.000 0.222 233 D C 0.466 176.676 176.300 -0.150 0.000 1.142 233 D CA -0.203 53.703 54.000 -0.156 0.000 0.973 233 D CB -0.273 40.472 40.800 -0.092 0.000 1.025 233 D HN 0.309 nan 8.370 nan 0.000 0.519 234 Y N 1.356 121.622 120.300 -0.057 0.000 2.224 234 Y HA -0.169 4.368 4.550 -0.022 0.000 0.289 234 Y C 2.256 178.150 175.900 -0.011 0.000 1.146 234 Y CA 0.763 58.837 58.100 -0.044 0.000 1.182 234 Y CB -0.025 38.410 38.460 -0.042 0.000 0.983 234 Y HN 0.334 nan 8.280 nan 0.000 0.524 235 L N -0.299 121.032 121.223 0.179 0.000 1.994 235 L HA -0.273 4.053 4.340 -0.024 0.000 0.208 235 L C 2.625 179.531 176.870 0.060 0.000 1.071 235 L CA 1.928 56.833 54.840 0.108 0.000 0.745 235 L CB -0.598 41.520 42.059 0.098 0.000 0.892 235 L HN 0.255 nan 8.230 nan 0.000 0.431 236 Q N 0.063 119.881 119.800 0.030 0.000 2.167 236 Q HA -0.175 4.151 4.340 -0.024 0.000 0.202 236 Q C 2.054 178.055 176.000 0.001 0.000 0.970 236 Q CA 1.681 57.486 55.803 0.004 0.000 0.855 236 Q CB -0.191 28.534 28.738 -0.023 0.000 0.911 236 Q HN 0.418 nan 8.270 nan 0.000 0.438 237 M N -0.481 119.115 119.600 -0.007 0.000 2.349 237 M HA -0.020 4.446 4.480 -0.024 0.000 0.266 237 M C 2.016 178.331 176.300 0.024 0.000 1.076 237 M CA 1.089 56.383 55.300 -0.011 0.000 1.126 237 M CB 0.090 32.658 32.600 -0.052 0.000 1.392 237 M HN 0.170 nan 8.290 nan 0.000 0.440 238 S N 0.589 116.314 115.700 0.042 0.000 2.402 238 S HA -0.017 4.439 4.470 -0.024 0.000 0.229 238 S C 1.981 176.599 174.600 0.031 0.000 1.021 238 S CA 1.263 59.490 58.200 0.045 0.000 0.974 238 S CB -0.117 63.115 63.200 0.053 0.000 0.800 238 S HN 0.547 nan 8.310 nan 0.000 0.484 239 A N 0.989 123.826 122.820 0.028 0.000 1.975 239 A HA 0.110 4.415 4.320 -0.024 0.000 0.215 239 A C 0.763 178.360 177.584 0.022 0.000 1.170 239 A CA 0.110 52.161 52.037 0.022 0.000 0.656 239 A CB -0.463 18.549 19.000 0.020 0.000 0.821 239 A HN 0.425 nan 8.150 nan 0.000 0.449 240 D N 0.707 121.124 120.400 0.028 0.000 2.752 240 D HA -0.036 4.589 4.640 -0.024 0.000 0.225 240 D C -0.774 175.556 176.300 0.051 0.000 1.104 240 D CA -0.142 53.884 54.000 0.043 0.000 0.832 240 D CB 0.894 41.731 40.800 0.061 0.000 1.161 240 D HN 0.199 nan 8.370 nan 0.000 0.505 241 P HA -0.191 nan 4.420 nan 0.000 0.214 241 P C 1.012 178.304 177.300 -0.012 0.000 1.162 241 P CA 1.391 64.454 63.100 -0.061 0.000 0.874 241 P CB -0.086 31.477 31.700 -0.228 0.000 0.784 242 Y N 0.057 120.478 120.300 0.202 0.000 2.314 242 Y HA 0.142 4.677 4.550 -0.024 0.000 0.293 242 Y C 1.932 178.008 175.900 0.292 0.000 1.129 242 Y CA 1.103 59.363 58.100 0.267 0.000 1.201 242 Y CB -0.862 37.716 38.460 0.197 0.000 0.999 242 Y HN 0.097 nan 8.280 nan 0.000 0.541 243 G N 0.396 109.399 108.800 0.337 0.000 2.212 243 G HA2 -0.250 3.696 3.960 -0.024 0.000 0.255 243 G HA3 -0.250 3.696 3.960 -0.024 0.000 0.255 243 G C 0.190 175.254 174.900 0.274 0.000 1.062 243 G CA 0.434 45.688 45.100 0.255 0.000 0.815 243 G HN 0.368 nan 8.290 nan 0.000 0.497 244 D N -0.020 120.534 120.400 0.257 0.000 2.349 244 D HA 0.097 4.723 4.640 -0.024 0.000 0.215 244 D C 2.298 178.598 176.300 -0.001 0.000 1.016 244 D CA 1.034 55.158 54.000 0.206 0.000 0.870 244 D CB 0.163 41.114 40.800 0.253 0.000 0.917 244 D HN 0.440 nan 8.370 nan 0.000 0.524 245 S N 0.306 115.994 115.700 -0.020 0.000 2.362 245 S HA 0.028 4.483 4.470 -0.024 0.000 0.221 245 S C 1.108 175.598 174.600 -0.183 0.000 1.032 245 S CA 0.467 58.595 58.200 -0.120 0.000 0.973 245 S CB 0.036 63.189 63.200 -0.079 0.000 0.849 245 S HN 0.367 nan 8.310 nan 0.000 0.465 246 M N -0.021 119.506 119.600 -0.122 0.000 2.277 246 M HA 0.551 5.017 4.480 -0.024 0.000 0.282 246 M C -1.417 174.900 176.300 0.027 0.000 1.074 246 M CA -0.804 54.412 55.300 -0.140 0.000 0.954 246 M CB 1.339 33.913 32.600 -0.043 0.000 1.672 246 M HN 0.049 nan 8.290 nan 0.000 0.471 247 F N 1.301 121.354 119.950 0.171 0.000 2.805 247 F HA 0.741 5.253 4.527 -0.025 0.000 0.317 247 F C -1.170 174.801 175.800 0.285 0.000 1.146 247 F CA -1.536 56.573 58.000 0.182 0.000 1.265 247 F CB -0.128 38.967 39.000 0.159 0.000 0.992 247 F HN 0.564 nan 8.300 nan 0.000 0.511 248 F N 1.243 121.376 119.950 0.305 0.000 2.680 248 F HA 0.498 5.011 4.527 -0.023 0.000 0.315 248 F C -2.002 173.867 175.800 0.116 0.000 1.099 248 F CA -1.555 56.570 58.000 0.209 0.000 1.033 248 F CB 0.844 40.000 39.000 0.260 0.000 1.285 248 F HN 0.185 nan 8.300 nan 0.000 0.457 249 C N 7.760 126.800 119.300 -0.433 0.000 2.642 249 C HA 0.893 5.339 4.460 -0.024 0.000 0.344 249 C C -2.356 172.363 174.990 -0.452 0.000 1.110 249 C CA -0.547 58.325 59.018 -0.244 0.000 1.298 249 C CB 0.546 28.281 27.740 -0.009 0.000 1.827 249 C HN 0.851 nan 8.230 nan 0.000 0.467 250 L N 6.012 127.050 121.223 -0.309 0.000 2.436 250 L HA 0.822 5.147 4.340 -0.024 0.000 0.268 250 L C -0.293 176.498 176.870 -0.131 0.000 0.974 250 L CA -0.083 54.569 54.840 -0.314 0.000 0.826 250 L CB 1.945 43.744 42.059 -0.433 0.000 1.291 250 L HN 0.923 nan 8.230 nan 0.000 0.406 251 R N 2.405 122.824 120.500 -0.135 0.000 2.698 251 R HA 0.919 5.244 4.340 -0.024 0.000 0.275 251 R C -1.046 175.208 176.300 -0.077 0.000 1.001 251 R CA -1.075 54.984 56.100 -0.069 0.000 0.896 251 R CB 2.157 32.401 30.300 -0.093 0.000 1.218 251 R HN 0.472 nan 8.270 nan 0.000 0.462 252 R N 1.568 122.049 120.500 -0.032 0.000 2.585 252 R HA 0.187 4.513 4.340 -0.024 0.000 0.288 252 R C -1.448 174.868 176.300 0.027 0.000 1.194 252 R CA -0.370 55.717 56.100 -0.022 0.000 1.006 252 R CB 1.469 31.737 30.300 -0.053 0.000 1.229 252 R HN 0.968 nan 8.270 nan 0.000 0.412 253 E N 3.764 123.995 120.200 0.051 0.000 2.320 253 E HA 0.453 4.789 4.350 -0.024 0.000 0.264 253 E C -1.392 175.247 176.600 0.064 0.000 0.923 253 E CA -1.155 55.294 56.400 0.081 0.000 0.796 253 E CB 2.537 32.310 29.700 0.122 0.000 1.262 253 E HN 0.594 nan 8.360 nan 0.000 0.428 254 Q N 0.905 120.750 119.800 0.075 0.000 2.443 254 Q HA 0.489 4.814 4.340 -0.024 0.000 0.258 254 Q C -1.406 174.648 176.000 0.089 0.000 0.967 254 Q CA -1.062 54.786 55.803 0.074 0.000 0.951 254 Q CB 1.500 30.280 28.738 0.070 0.000 1.459 254 Q HN 0.591 nan 8.270 nan 0.000 0.415 255 L N -0.645 120.635 121.223 0.095 0.000 2.933 255 L HA 0.891 5.216 4.340 -0.024 0.000 0.271 255 L C -1.753 175.215 176.870 0.165 0.000 1.071 255 L CA -0.921 53.971 54.840 0.086 0.000 0.938 255 L CB 0.911 42.976 42.059 0.010 0.000 1.534 255 L HN 1.012 nan 8.230 nan 0.000 0.396 256 F N -0.963 118.985 119.950 -0.003 0.000 2.693 256 F HA 0.905 5.428 4.527 -0.007 0.000 0.309 256 F C -0.806 174.985 175.800 -0.015 0.000 1.129 256 F CA -0.703 57.291 58.000 -0.012 0.000 0.948 256 F CB 1.102 40.095 39.000 -0.011 0.000 1.315 256 F HN 0.884 nan 8.300 nan 0.000 0.447 257 A N 3.039 125.988 122.820 0.215 0.000 2.376 257 A HA 0.509 4.815 4.320 -0.024 0.000 0.298 257 A C 1.045 178.720 177.584 0.152 0.000 1.271 257 A CA -0.341 51.751 52.037 0.092 0.000 0.926 257 A CB 0.326 19.448 19.000 0.204 0.000 1.141 257 A HN 0.907 nan 8.150 nan 0.000 0.539 258 R N 1.784 122.161 120.500 -0.206 0.000 2.055 258 R HA 0.026 4.351 4.340 -0.024 0.000 0.228 258 R C -0.107 175.928 176.300 -0.441 0.000 1.143 258 R CA 1.703 57.717 56.100 -0.144 0.000 0.945 258 R CB -0.264 29.938 30.300 -0.164 0.000 0.841 258 R HN 0.843 nan 8.270 nan 0.000 0.429 259 H N -2.106 116.721 119.070 -0.404 0.000 2.747 259 H HA 0.392 4.935 4.556 -0.022 0.000 0.371 259 H C -1.173 173.816 175.328 -0.565 0.000 1.161 259 H CA -0.628 55.015 56.048 -0.674 0.000 1.167 259 H CB 1.499 30.691 29.762 -0.950 0.000 1.732 259 H HN -0.000 nan 8.280 nan 0.000 0.544 260 F N 2.029 121.685 119.950 -0.491 0.000 2.427 260 F HA 0.319 4.830 4.527 -0.028 0.000 0.346 260 F C -0.556 175.152 175.800 -0.154 0.000 1.120 260 F CA -0.766 57.057 58.000 -0.295 0.000 1.033 260 F CB 1.279 40.205 39.000 -0.123 0.000 1.126 260 F HN 0.187 nan 8.300 nan 0.000 0.462 261 W N 1.321 122.854 121.300 0.388 0.000 3.029 261 W HA 0.304 4.953 4.660 -0.018 0.000 0.339 261 W C -0.636 176.057 176.519 0.290 0.000 1.198 261 W CA -1.279 56.252 57.345 0.311 0.000 1.148 261 W CB 1.334 30.963 29.460 0.281 0.000 1.451 261 W HN 0.440 nan 8.180 nan 0.000 0.564 262 N N 0.807 119.779 118.700 0.453 0.000 2.434 262 N HA 0.384 5.109 4.740 -0.024 0.000 0.266 262 N C -0.383 175.200 175.510 0.121 0.000 1.223 262 N CA -0.515 52.652 53.050 0.194 0.000 0.972 262 N CB 0.798 39.373 38.487 0.146 0.000 1.207 262 N HN -0.083 nan 8.380 nan 0.000 0.525 263 R N 0.934 121.434 120.500 -0.001 0.000 2.494 263 R HA 0.433 4.759 4.340 -0.024 0.000 0.305 263 R C -0.804 175.469 176.300 -0.045 0.000 0.959 263 R CA -0.672 55.418 56.100 -0.017 0.000 0.864 263 R CB 1.383 31.660 30.300 -0.037 0.000 1.159 263 R HN 0.585 nan 8.270 nan 0.000 0.446 264 A N 1.111 123.903 122.820 -0.047 0.000 2.351 264 A HA 0.719 5.025 4.320 -0.024 0.000 0.257 264 A C 0.441 177.992 177.584 -0.055 0.000 1.087 264 A CA 0.615 52.624 52.037 -0.047 0.000 0.798 264 A CB 0.477 19.450 19.000 -0.045 0.000 1.033 264 A HN 0.829 nan 8.150 nan 0.000 0.488 265 G N -0.408 108.362 108.800 -0.049 0.000 2.351 265 G HA2 0.483 4.428 3.960 -0.024 0.000 0.353 265 G HA3 0.483 4.428 3.960 -0.024 0.000 0.353 265 G C -0.357 174.517 174.900 -0.045 0.000 1.358 265 G CA -0.210 44.862 45.100 -0.048 0.000 0.995 265 G HN 1.790 nan 8.290 nan 0.000 0.611 266 T N -0.401 114.130 114.554 -0.039 0.000 2.897 266 T HA 0.580 4.916 4.350 -0.024 0.000 0.294 266 T C 0.927 175.602 174.700 -0.040 0.000 1.004 266 T CA -0.648 61.430 62.100 -0.036 0.000 1.106 266 T CB 0.972 69.823 68.868 -0.028 0.000 0.949 266 T HN 0.592 nan 8.240 nan 0.000 0.520 267 M N 3.243 122.818 119.600 -0.043 0.000 2.217 267 M HA 0.207 4.673 4.480 -0.024 0.000 0.352 267 M C 1.672 177.952 176.300 -0.035 0.000 1.376 267 M CA -0.253 55.019 55.300 -0.047 0.000 1.107 267 M CB 0.219 32.788 32.600 -0.052 0.000 1.723 267 M HN 1.056 nan 8.290 nan 0.000 0.461 268 G N 3.483 112.261 108.800 -0.035 0.000 2.464 268 G HA2 -0.086 3.860 3.960 -0.024 0.000 0.214 268 G HA3 -0.086 3.860 3.960 -0.024 0.000 0.214 268 G C 0.221 175.108 174.900 -0.021 0.000 1.218 268 G CA 0.302 45.385 45.100 -0.027 0.000 0.794 268 G HN 0.654 nan 8.290 nan 0.000 0.542 269 D N 1.175 121.561 120.400 -0.023 0.000 2.277 269 D HA 0.345 4.970 4.640 -0.024 0.000 0.249 269 D C -0.130 176.164 176.300 -0.009 0.000 1.134 269 D CA 0.179 54.170 54.000 -0.014 0.000 0.863 269 D CB 1.374 42.165 40.800 -0.016 0.000 1.143 269 D HN -0.020 nan 8.370 nan 0.000 0.458 270 T N 0.882 115.438 114.554 0.003 0.000 2.869 270 T HA 0.193 4.529 4.350 -0.024 0.000 0.295 270 T C 0.665 175.384 174.700 0.031 0.000 0.987 270 T CA -0.682 61.426 62.100 0.014 0.000 1.109 270 T CB 1.132 70.014 68.868 0.023 0.000 0.932 270 T HN 0.027 nan 8.240 nan 0.000 0.518 271 V N 6.223 126.160 119.914 0.038 0.000 2.446 271 V HA 0.123 4.228 4.120 -0.024 0.000 0.276 271 V C -1.766 174.430 176.094 0.169 0.000 1.030 271 V CA -1.514 60.829 62.300 0.071 0.000 1.033 271 V CB -0.364 31.465 31.823 0.010 0.000 0.993 271 V HN 0.765 nan 8.190 nan 0.000 0.477 272 P HA -0.046 nan 4.420 nan 0.000 0.263 272 P C 0.770 178.167 177.300 0.162 0.000 1.168 272 P CA 0.271 63.442 63.100 0.120 0.000 0.759 272 P CB 0.413 32.164 31.700 0.084 0.000 0.782 273 Q N 1.342 121.164 119.800 0.037 0.000 2.297 273 Q HA -0.071 4.255 4.340 -0.024 0.000 0.204 273 Q C 1.380 177.240 176.000 -0.234 0.000 0.962 273 Q CA 1.364 57.072 55.803 -0.158 0.000 0.879 273 Q CB -0.152 28.503 28.738 -0.138 0.000 0.947 273 Q HN 0.572 nan 8.270 nan 0.000 0.462 274 S N -0.754 114.899 115.700 -0.078 0.000 2.701 274 S HA 0.130 4.586 4.470 -0.024 0.000 0.220 274 S C 1.405 175.997 174.600 -0.014 0.000 0.954 274 S CA 0.001 58.163 58.200 -0.064 0.000 0.936 274 S CB -0.099 63.085 63.200 -0.026 0.000 0.777 274 S HN 0.246 nan 8.310 nan 0.000 0.518 275 L N 0.184 121.441 121.223 0.056 0.000 2.693 275 L HA 0.430 4.756 4.340 -0.024 0.000 0.235 275 L C 0.158 177.192 176.870 0.272 0.000 1.127 275 L CA -0.399 54.536 54.840 0.158 0.000 0.914 275 L CB -0.098 42.073 42.059 0.186 0.000 1.193 275 L HN 0.596 nan 8.230 nan 0.000 0.502 276 Y N -2.816 117.492 120.300 0.013 0.000 2.905 276 Y HA 0.656 5.192 4.550 -0.024 0.000 0.322 276 Y C -1.135 174.772 175.900 0.012 0.000 1.455 276 Y CA -1.552 56.557 58.100 0.015 0.000 1.083 276 Y CB 1.153 39.625 38.460 0.020 0.000 1.473 276 Y HN -0.297 nan 8.280 nan 0.000 0.449 277 I N 2.262 122.870 120.570 0.064 0.000 2.436 277 I HA 0.343 4.499 4.170 -0.024 0.000 0.289 277 I C -0.738 175.443 176.117 0.108 0.000 1.010 277 I CA -1.079 60.207 61.300 -0.023 0.000 1.098 277 I CB 2.056 40.069 38.000 0.021 0.000 1.266 277 I HN 0.562 nan 8.210 nan 0.000 0.434 278 K N 3.250 123.667 120.400 0.028 0.000 2.440 278 K HA 0.294 4.599 4.320 -0.024 0.000 0.270 278 K C 0.490 177.150 176.600 0.101 0.000 0.980 278 K CA 0.025 56.386 56.287 0.124 0.000 0.953 278 K CB 0.773 33.310 32.500 0.061 0.000 0.925 278 K HN 0.830 nan 8.250 nan 0.000 0.497 279 G N 0.144 109.007 108.800 0.105 0.000 3.122 279 G HA2 0.435 4.381 3.960 -0.024 0.000 0.180 279 G HA3 0.435 4.381 3.960 -0.024 0.000 0.180 279 G C -0.953 173.979 174.900 0.054 0.000 1.279 279 G CA -0.524 44.617 45.100 0.069 0.000 0.987 279 G HN 0.578 nan 8.290 nan 0.000 0.589 280 T N -2.747 111.833 114.554 0.042 0.000 2.829 280 T HA 0.670 5.006 4.350 -0.024 0.000 0.280 280 T C 0.690 175.408 174.700 0.031 0.000 0.999 280 T CA 0.566 62.686 62.100 0.033 0.000 0.983 280 T CB 1.272 70.155 68.868 0.026 0.000 0.968 280 T HN 2.352 nan 8.240 nan 0.000 0.446 281 G N 3.332 112.149 108.800 0.028 0.000 2.498 281 G HA2 -0.304 3.642 3.960 -0.024 0.000 0.245 281 G HA3 -0.304 3.642 3.960 -0.024 0.000 0.245 281 G C 0.877 175.792 174.900 0.026 0.000 1.204 281 G CA 0.453 45.567 45.100 0.024 0.000 0.933 281 G HN 1.492 nan 8.290 nan 0.000 0.574 282 M N -0.349 119.265 119.600 0.023 0.000 2.446 282 M HA 0.226 4.692 4.480 -0.024 0.000 0.263 282 M C 1.978 178.292 176.300 0.023 0.000 1.066 282 M CA 2.328 57.640 55.300 0.020 0.000 1.087 282 M CB -0.107 32.504 32.600 0.018 0.000 1.406 282 M HN 0.351 nan 8.290 nan 0.000 0.459 283 R N 0.326 120.844 120.500 0.031 0.000 2.359 283 R HA 0.319 4.644 4.340 -0.024 0.000 0.231 283 R C 1.735 178.070 176.300 0.057 0.000 0.913 283 R CA 0.416 56.539 56.100 0.037 0.000 1.075 283 R CB 0.124 30.448 30.300 0.040 0.000 1.087 283 R HN 0.561 nan 8.270 nan 0.000 0.515 284 A N -0.310 122.544 122.820 0.056 0.000 2.021 284 A HA 0.057 4.363 4.320 -0.024 0.000 0.216 284 A C 0.857 178.504 177.584 0.105 0.000 1.163 284 A CA 0.570 52.653 52.037 0.076 0.000 0.676 284 A CB 0.326 19.358 19.000 0.053 0.000 0.818 284 A HN 0.149 nan 8.150 nan 0.000 0.453 285 S N 0.808 116.549 115.700 0.069 0.000 2.532 285 S HA 0.555 5.011 4.470 -0.024 0.000 0.299 285 S C -2.966 171.620 174.600 -0.024 0.000 1.105 285 S CA -1.642 56.592 58.200 0.056 0.000 1.018 285 S CB 1.256 64.479 63.200 0.038 0.000 1.021 285 S HN 0.211 nan 8.310 nan 0.000 0.483 286 P HA 0.199 nan 4.420 nan 0.000 0.265 286 P C 0.620 177.857 177.300 -0.105 0.000 1.193 286 P CA -0.073 62.907 63.100 -0.200 0.000 0.765 286 P CB 0.227 31.686 31.700 -0.402 0.000 0.823 287 G N 2.071 110.824 108.800 -0.077 0.000 2.486 287 G HA2 0.095 4.041 3.960 -0.024 0.000 0.272 287 G HA3 0.095 4.041 3.960 -0.024 0.000 0.272 287 G C -0.218 174.637 174.900 -0.074 0.000 1.426 287 G CA -0.483 44.588 45.100 -0.048 0.000 1.058 287 G HN 0.590 nan 8.290 nan 0.000 0.531 288 S N -1.841 113.811 115.700 -0.078 0.000 2.498 288 S HA 0.095 4.551 4.470 -0.024 0.000 0.281 288 S C 0.631 175.066 174.600 -0.275 0.000 1.265 288 S CA -0.627 57.485 58.200 -0.146 0.000 1.071 288 S CB -0.119 63.004 63.200 -0.129 0.000 0.894 288 S HN 0.487 nan 8.310 nan 0.000 0.491 289 C N 5.584 124.698 119.300 -0.310 0.000 2.668 289 C HA 0.378 4.823 4.460 -0.024 0.000 0.301 289 C C -0.037 174.616 174.990 -0.561 0.000 1.351 289 C CA -0.464 58.300 59.018 -0.423 0.000 1.757 289 C CB -1.156 26.496 27.740 -0.147 0.000 2.179 289 C HN 0.670 nan 8.230 nan 0.000 0.586 290 V N 1.716 121.302 119.914 -0.548 0.000 2.313 290 V HA 0.372 4.478 4.120 -0.024 0.000 0.278 290 V C -0.758 175.104 176.094 -0.387 0.000 1.017 290 V CA -0.385 61.724 62.300 -0.317 0.000 0.823 290 V CB 0.248 31.971 31.823 -0.167 0.000 1.010 290 V HN 0.388 nan 8.190 nan 0.000 0.443 291 Y N 2.461 122.784 120.300 0.038 0.000 2.387 291 Y HA 0.709 5.245 4.550 -0.023 0.000 0.330 291 Y C 0.631 176.576 175.900 0.075 0.000 1.133 291 Y CA -0.589 57.550 58.100 0.064 0.000 1.152 291 Y CB 2.166 40.633 38.460 0.011 0.000 1.215 291 Y HN 0.637 nan 8.280 nan 0.000 0.466 292 S N 2.226 118.103 115.700 0.294 0.000 2.592 292 S HA 0.509 4.965 4.470 -0.024 0.000 0.275 292 S C -3.435 171.319 174.600 0.256 0.000 1.169 292 S CA -1.435 56.906 58.200 0.235 0.000 0.958 292 S CB 2.285 65.648 63.200 0.272 0.000 1.095 292 S HN 0.368 nan 8.310 nan 0.000 0.471 293 P HA 0.401 nan 4.420 nan 0.000 0.290 293 P C -0.257 177.010 177.300 -0.055 0.000 1.275 293 P CA -0.462 62.650 63.100 0.020 0.000 0.841 293 P CB 1.428 33.114 31.700 -0.023 0.000 1.042 294 S N 3.151 118.738 115.700 -0.188 0.000 2.531 294 S HA 0.345 4.801 4.470 -0.024 0.000 0.279 294 S C -1.918 172.552 174.600 -0.216 0.000 1.305 294 S CA -0.902 57.226 58.200 -0.119 0.000 1.058 294 S CB -0.233 62.861 63.200 -0.177 0.000 0.899 294 S HN 0.364 nan 8.310 nan 0.000 0.493 295 P HA 0.503 nan 4.420 nan 0.000 0.302 295 P C -0.527 176.597 177.300 -0.293 0.000 1.307 295 P CA -0.660 62.268 63.100 -0.287 0.000 0.754 295 P CB 0.792 32.330 31.700 -0.270 0.000 1.298 296 S N -2.147 113.345 115.700 -0.346 0.000 2.740 296 S HA 0.418 4.873 4.470 -0.024 0.000 0.320 296 S C -0.710 173.700 174.600 -0.316 0.000 0.781 296 S CA -0.540 57.438 58.200 -0.369 0.000 0.746 296 S CB -0.918 61.903 63.200 -0.633 0.000 0.982 296 S HN 0.722 nan 8.310 nan 0.000 0.525 297 G N 2.469 111.242 108.800 -0.045 0.000 2.400 297 G HA2 0.585 4.530 3.960 -0.024 0.000 0.301 297 G HA3 0.585 4.530 3.960 -0.024 0.000 0.301 297 G C 0.530 175.520 174.900 0.150 0.000 1.154 297 G CA 0.213 45.363 45.100 0.083 0.000 0.852 297 G HN 0.880 nan 8.290 nan 0.000 0.511 298 S N 0.705 116.542 115.700 0.229 0.000 3.757 298 S HA 0.359 4.814 4.470 -0.024 0.000 0.190 298 S C 0.960 175.652 174.600 0.153 0.000 0.948 298 S CA -0.629 57.745 58.200 0.290 0.000 1.592 298 S CB -0.323 63.025 63.200 0.246 0.000 0.656 298 S HN 0.413 nan 8.310 nan 0.000 0.640 299 I N 1.817 122.449 120.570 0.103 0.000 2.692 299 I HA 0.240 4.396 4.170 -0.024 0.000 0.284 299 I C -0.201 175.955 176.117 0.064 0.000 1.159 299 I CA -0.132 61.209 61.300 0.069 0.000 1.423 299 I CB 1.188 39.214 38.000 0.043 0.000 1.380 299 I HN 0.201 nan 8.210 nan 0.000 0.580 300 V N 5.960 125.907 119.914 0.056 0.000 2.409 300 V HA 0.582 4.688 4.120 -0.024 0.000 0.291 300 V C -0.314 175.802 176.094 0.036 0.000 1.020 300 V CA 0.070 62.400 62.300 0.050 0.000 0.848 300 V CB 1.751 33.608 31.823 0.057 0.000 0.990 300 V HN 0.870 nan 8.190 nan 0.000 0.430 301 T N 2.877 117.447 114.554 0.027 0.000 2.900 301 T HA 0.359 4.694 4.350 -0.024 0.000 0.295 301 T C 1.088 175.796 174.700 0.012 0.000 1.044 301 T CA 0.129 62.239 62.100 0.018 0.000 0.995 301 T CB 1.823 70.699 68.868 0.014 0.000 1.072 301 T HN 1.235 nan 8.240 nan 0.000 0.473 302 S N 2.197 117.903 115.700 0.009 0.000 2.584 302 S HA -0.066 4.390 4.470 -0.024 0.000 0.240 302 S C 1.044 175.643 174.600 -0.001 0.000 0.975 302 S CA 0.835 59.038 58.200 0.006 0.000 0.949 302 S CB -0.311 62.892 63.200 0.005 0.000 0.761 302 S HN 0.752 nan 8.310 nan 0.000 0.536 303 D N 2.071 122.471 120.400 -0.001 0.000 2.194 303 D HA -0.001 4.625 4.640 -0.024 0.000 0.204 303 D C 1.412 177.707 176.300 -0.008 0.000 0.964 303 D CA 1.386 55.383 54.000 -0.004 0.000 0.846 303 D CB -0.066 40.733 40.800 -0.002 0.000 0.962 303 D HN 0.684 nan 8.370 nan 0.000 0.490 304 S N -0.042 115.652 115.700 -0.010 0.000 2.588 304 S HA 0.196 4.651 4.470 -0.024 0.000 0.245 304 S C 0.441 175.017 174.600 -0.041 0.000 1.021 304 S CA -0.633 57.556 58.200 -0.020 0.000 1.006 304 S CB 0.691 63.884 63.200 -0.012 0.000 0.830 304 S HN -0.137 nan 8.310 nan 0.000 0.468 305 Q N 1.009 120.786 119.800 -0.037 0.000 2.327 305 Q HA 0.486 4.811 4.340 -0.024 0.000 0.254 305 Q C 0.448 176.385 176.000 -0.105 0.000 0.952 305 Q CA -0.418 55.347 55.803 -0.063 0.000 0.884 305 Q CB 1.209 29.936 28.738 -0.017 0.000 1.224 305 Q HN 0.375 nan 8.270 nan 0.000 0.422 306 L N 2.856 123.921 121.223 -0.265 0.000 2.470 306 L HA 0.380 4.705 4.340 -0.024 0.000 0.219 306 L C -0.308 176.431 176.870 -0.218 0.000 1.071 306 L CA 0.743 55.370 54.840 -0.355 0.000 0.850 306 L CB 0.161 41.825 42.059 -0.659 0.000 1.040 306 L HN 0.632 nan 8.230 nan 0.000 0.475 307 F N -0.662 119.393 119.950 0.175 0.000 2.450 307 F HA 0.272 4.788 4.527 -0.019 0.000 0.361 307 F C 1.275 177.101 175.800 0.044 0.000 1.092 307 F CA -0.783 57.326 58.000 0.182 0.000 1.105 307 F CB 0.081 39.143 39.000 0.104 0.000 1.458 307 F HN -0.145 nan 8.300 nan 0.000 0.496 308 N N -0.140 118.690 118.700 0.217 0.000 2.741 308 N HA -0.212 4.514 4.740 -0.024 0.000 0.250 308 N C -1.475 173.976 175.510 -0.099 0.000 1.115 308 N CA 0.544 53.605 53.050 0.018 0.000 0.724 308 N CB -0.762 37.737 38.487 0.021 0.000 1.090 308 N HN 0.381 nan 8.380 nan 0.000 0.558 309 K N -0.235 120.018 120.400 -0.244 0.000 2.498 309 K HA 0.433 4.739 4.320 -0.024 0.000 0.254 309 K C -2.843 173.207 176.600 -0.916 0.000 0.933 309 K CA -1.607 54.384 56.287 -0.493 0.000 0.806 309 K CB 2.845 35.037 32.500 -0.513 0.000 1.301 309 K HN -0.169 nan 8.250 nan 0.000 0.432 310 P HA 0.204 nan 4.420 nan 0.000 0.292 310 P C -1.547 175.028 177.300 -1.209 0.000 1.287 310 P CA -0.371 62.169 63.100 -0.933 0.000 0.800 310 P CB 0.415 31.673 31.700 -0.737 0.000 0.945 311 Y N 1.094 121.011 120.300 -0.638 0.000 2.393 311 Y HA 0.468 5.002 4.550 -0.027 0.000 0.341 311 Y C -0.289 175.229 175.900 -0.636 0.000 0.988 311 Y CA -0.939 56.868 58.100 -0.488 0.000 1.078 311 Y CB 1.001 39.503 38.460 0.070 0.000 1.203 311 Y HN 0.341 nan 8.280 nan 0.000 0.453 312 W N 4.717 126.116 121.300 0.165 0.000 2.349 312 W HA 0.672 5.319 4.660 -0.023 0.000 0.309 312 W C -0.783 175.847 176.519 0.185 0.000 1.083 312 W CA -1.085 56.321 57.345 0.101 0.000 1.224 312 W CB 1.018 30.526 29.460 0.079 0.000 1.256 312 W HN 0.370 nan 8.180 nan 0.000 0.461 313 L N 2.973 124.375 121.223 0.299 0.000 2.260 313 L HA 0.441 4.767 4.340 -0.024 0.000 0.289 313 L C 1.016 178.080 176.870 0.323 0.000 1.057 313 L CA -0.694 54.342 54.840 0.327 0.000 0.811 313 L CB 0.531 42.654 42.059 0.108 0.000 1.184 313 L HN 0.609 nan 8.230 nan 0.000 0.429 314 H N 2.063 121.235 119.070 0.170 0.000 2.460 314 H HA 0.351 4.893 4.556 -0.024 0.000 0.297 314 H C -0.330 175.059 175.328 0.102 0.000 1.023 314 H CA -0.231 55.897 56.048 0.133 0.000 1.321 314 H CB 0.370 30.210 29.762 0.130 0.000 1.455 314 H HN 0.549 nan 8.280 nan 0.000 0.539 315 K N 0.917 120.922 120.400 -0.659 0.000 2.652 315 K HA 0.595 4.901 4.320 -0.024 0.000 0.249 315 K C -0.866 175.604 176.600 -0.217 0.000 0.986 315 K CA -0.331 55.756 56.287 -0.333 0.000 0.867 315 K CB 3.098 35.419 32.500 -0.298 0.000 1.201 315 K HN 0.356 nan 8.250 nan 0.000 0.450 316 A N 1.808 124.591 122.820 -0.061 0.000 2.475 316 A HA -0.021 4.285 4.320 -0.024 0.000 0.239 316 A C 1.249 178.865 177.584 0.053 0.000 1.087 316 A CA 0.275 52.345 52.037 0.055 0.000 0.779 316 A CB 0.297 19.360 19.000 0.106 0.000 1.036 316 A HN 0.886 nan 8.150 nan 0.000 0.506 317 Q N 0.887 120.747 119.800 0.101 0.000 2.096 317 Q HA 0.237 4.562 4.340 -0.024 0.000 0.197 317 Q C 1.035 177.052 176.000 0.028 0.000 0.964 317 Q CA 1.329 57.168 55.803 0.060 0.000 0.838 317 Q CB -0.672 28.112 28.738 0.076 0.000 0.906 317 Q HN 0.794 nan 8.270 nan 0.000 0.444 318 G N -0.801 108.043 108.800 0.073 0.000 2.509 318 G HA2 0.212 4.158 3.960 -0.024 0.000 0.269 318 G HA3 0.212 4.158 3.960 -0.024 0.000 0.269 318 G C -0.298 174.614 174.900 0.020 0.000 1.416 318 G CA -0.111 44.995 45.100 0.010 0.000 1.052 318 G HN 0.431 nan 8.290 nan 0.000 0.542 319 H N -1.019 118.171 119.070 0.200 0.000 2.482 319 H HA 0.088 4.630 4.556 -0.023 0.000 0.286 319 H C 0.981 176.466 175.328 0.262 0.000 1.017 319 H CA 0.083 56.264 56.048 0.221 0.000 1.322 319 H CB 0.331 30.249 29.762 0.259 0.000 1.426 319 H HN 0.239 nan 8.280 nan 0.000 0.546 320 N N 1.711 120.672 118.700 0.435 0.000 2.420 320 N HA -0.095 4.630 4.740 -0.024 0.000 0.262 320 N C -0.528 175.122 175.510 0.233 0.000 1.144 320 N CA 0.138 53.414 53.050 0.376 0.000 0.952 320 N CB 0.307 39.088 38.487 0.489 0.000 1.081 320 N HN 0.258 nan 8.380 nan 0.000 0.480 321 N N 2.996 121.739 118.700 0.070 0.000 3.209 321 N HA 0.116 4.842 4.740 -0.024 0.000 0.309 321 N C 0.462 175.806 175.510 -0.276 0.000 1.384 321 N CA 0.315 53.329 53.050 -0.061 0.000 1.173 321 N CB -0.637 37.830 38.487 -0.033 0.000 1.460 321 N HN 0.826 nan 8.380 nan 0.000 0.534 322 G N 0.131 108.567 108.800 -0.607 0.000 2.160 322 G HA2 -0.259 3.687 3.960 -0.024 0.000 0.251 322 G HA3 -0.259 3.687 3.960 -0.024 0.000 0.251 322 G C 0.064 174.685 174.900 -0.465 0.000 1.008 322 G CA 0.229 44.605 45.100 -1.206 0.000 0.724 322 G HN 0.310 nan 8.290 nan 0.000 0.514 323 V N 0.695 120.438 119.914 -0.285 0.000 2.479 323 V HA 0.203 4.308 4.120 -0.024 0.000 0.281 323 V C 1.253 177.184 176.094 -0.271 0.000 1.031 323 V CA 0.189 62.262 62.300 -0.378 0.000 1.038 323 V CB 0.882 32.303 31.823 -0.669 0.000 0.981 323 V HN 0.499 nan 8.190 nan 0.000 0.478 324 C N 5.574 124.799 119.300 -0.124 0.000 2.138 324 C HA 0.310 4.755 4.460 -0.024 0.000 0.398 324 C C 0.319 175.364 174.990 0.091 0.000 1.029 324 C CA -1.511 57.548 59.018 0.068 0.000 1.426 324 C CB -1.884 25.948 27.740 0.153 0.000 1.652 324 C HN 0.871 nan 8.230 nan 0.000 0.486 325 W N 1.863 123.321 121.300 0.263 0.000 2.231 325 W HA 0.212 4.858 4.660 -0.024 0.000 0.341 325 W C 1.211 177.939 176.519 0.349 0.000 1.298 325 W CA 0.329 57.838 57.345 0.274 0.000 1.266 325 W CB -0.053 29.574 29.460 0.277 0.000 1.172 325 W HN 0.805 nan 8.180 nan 0.000 0.568 326 H N 0.364 119.630 119.070 0.326 0.000 3.211 326 H HA -0.275 4.267 4.556 -0.024 0.000 0.240 326 H C 0.413 175.813 175.328 0.119 0.000 1.148 326 H CA 1.212 57.358 56.048 0.164 0.000 1.160 326 H CB -2.068 27.774 29.762 0.133 0.000 1.232 326 H HN 0.557 nan 8.280 nan 0.000 0.321 327 N N -0.571 118.268 118.700 0.232 0.000 2.758 327 N HA -0.200 4.525 4.740 -0.024 0.000 0.248 327 N C -0.094 175.430 175.510 0.023 0.000 1.076 327 N CA 1.375 54.492 53.050 0.112 0.000 0.696 327 N CB -0.821 37.706 38.487 0.067 0.000 0.979 327 N HN 0.736 nan 8.380 nan 0.000 0.550 328 Q N -0.337 119.503 119.800 0.066 0.000 2.495 328 Q HA 0.846 5.172 4.340 -0.024 0.000 0.283 328 Q C -0.721 175.261 176.000 -0.030 0.000 1.097 328 Q CA -0.837 54.945 55.803 -0.035 0.000 0.836 328 Q CB 2.540 31.300 28.738 0.037 0.000 1.426 328 Q HN 0.323 nan 8.270 nan 0.000 0.459 329 L N 0.849 121.964 121.223 -0.180 0.000 2.787 329 L HA 0.418 4.743 4.340 -0.024 0.000 0.260 329 L C -1.999 174.747 176.870 -0.207 0.000 0.921 329 L CA -0.393 54.420 54.840 -0.045 0.000 0.984 329 L CB 1.077 43.120 42.059 -0.026 0.000 1.519 329 L HN 0.521 nan 8.230 nan 0.000 0.452 330 F N 4.243 124.121 119.950 -0.119 0.000 2.443 330 F HA 0.661 5.174 4.527 -0.025 0.000 0.335 330 F C -0.008 175.772 175.800 -0.035 0.000 1.104 330 F CA -0.656 57.247 58.000 -0.163 0.000 1.013 330 F CB 2.106 40.919 39.000 -0.312 0.000 1.136 330 F HN 0.051 nan 8.300 nan 0.000 0.470 331 V N 2.810 122.849 119.914 0.208 0.000 2.349 331 V HA 0.323 4.429 4.120 -0.024 0.000 0.284 331 V C -0.397 175.834 176.094 0.228 0.000 1.014 331 V CA -0.655 61.799 62.300 0.257 0.000 0.826 331 V CB 1.406 33.427 31.823 0.331 0.000 1.009 331 V HN 0.791 nan 8.190 nan 0.000 0.431 332 T N 4.676 119.335 114.554 0.174 0.000 2.806 332 T HA 0.681 5.017 4.350 -0.024 0.000 0.290 332 T C -0.298 174.513 174.700 0.185 0.000 0.966 332 T CA -0.353 61.836 62.100 0.148 0.000 1.060 332 T CB 1.628 70.565 68.868 0.115 0.000 0.927 332 T HN 0.335 nan 8.240 nan 0.000 0.485 333 V N 3.368 123.378 119.914 0.161 0.000 2.932 333 V HA 0.562 4.668 4.120 -0.024 0.000 0.307 333 V C -0.838 175.348 176.094 0.153 0.000 1.147 333 V CA -0.760 61.647 62.300 0.178 0.000 0.951 333 V CB 2.532 34.434 31.823 0.132 0.000 1.031 333 V HN 0.715 nan 8.190 nan 0.000 0.426 334 V N 2.843 122.868 119.914 0.184 0.000 2.588 334 V HA 0.696 4.802 4.120 -0.024 0.000 0.304 334 V C -1.300 174.939 176.094 0.242 0.000 1.042 334 V CA -0.428 61.929 62.300 0.094 0.000 0.877 334 V CB 2.079 33.855 31.823 -0.079 0.000 0.996 334 V HN 1.012 nan 8.190 nan 0.000 0.425 335 D N 2.019 122.539 120.400 0.199 0.000 2.365 335 D HA 0.264 4.890 4.640 -0.024 0.000 0.235 335 D C 0.574 176.929 176.300 0.092 0.000 1.368 335 D CA 0.186 54.347 54.000 0.268 0.000 1.001 335 D CB 1.810 42.850 40.800 0.402 0.000 1.364 335 D HN 0.593 nan 8.370 nan 0.000 0.577 336 T N -0.612 113.957 114.554 0.025 0.000 3.107 336 T HA 0.001 4.337 4.350 -0.024 0.000 0.249 336 T C 1.694 176.371 174.700 -0.038 0.000 1.096 336 T CA 0.758 62.769 62.100 -0.148 0.000 1.012 336 T CB -0.180 68.570 68.868 -0.196 0.000 0.977 336 T HN 0.356 nan 8.240 nan 0.000 0.527 337 T N 0.245 114.826 114.554 0.045 0.000 3.025 337 T HA 0.042 4.378 4.350 -0.024 0.000 0.270 337 T C 0.903 175.633 174.700 0.049 0.000 1.126 337 T CA 0.218 62.352 62.100 0.058 0.000 1.105 337 T CB -0.415 68.494 68.868 0.068 0.000 0.884 337 T HN 0.460 nan 8.240 nan 0.000 0.522 338 R N 1.247 121.773 120.500 0.043 0.000 2.607 338 R HA 0.351 4.677 4.340 -0.024 0.000 0.278 338 R C -0.062 176.300 176.300 0.103 0.000 1.637 338 R CA -0.035 56.101 56.100 0.060 0.000 1.325 338 R CB 1.252 31.578 30.300 0.043 0.000 1.211 338 R HN 0.376 nan 8.270 nan 0.000 0.565 339 S N -1.261 114.476 115.700 0.061 0.000 2.741 339 S HA 0.022 4.478 4.470 -0.024 0.000 0.247 339 S C 0.478 175.089 174.600 0.019 0.000 1.050 339 S CA -0.652 57.552 58.200 0.005 0.000 1.025 339 S CB 0.307 63.438 63.200 -0.114 0.000 0.897 339 S HN 0.370 nan 8.310 nan 0.000 0.508 340 T N 1.973 116.585 114.554 0.098 0.000 2.871 340 T HA 0.171 4.507 4.350 -0.024 0.000 0.296 340 T C -0.183 174.589 174.700 0.121 0.000 0.998 340 T CA -0.213 61.938 62.100 0.085 0.000 1.162 340 T CB -0.330 68.584 68.868 0.077 0.000 0.947 340 T HN 0.473 nan 8.240 nan 0.000 0.536 341 N N 2.730 121.467 118.700 0.062 0.000 2.426 341 N HA 0.342 5.068 4.740 -0.024 0.000 0.257 341 N C -0.229 175.311 175.510 0.050 0.000 1.002 341 N CA -0.727 52.362 53.050 0.065 0.000 0.942 341 N CB 0.912 39.392 38.487 -0.012 0.000 1.112 341 N HN 0.511 nan 8.380 nan 0.000 0.499 342 L N 1.808 123.068 121.223 0.060 0.000 2.456 342 L HA 0.144 4.469 4.340 -0.024 0.000 0.272 342 L C 0.599 177.485 176.870 0.027 0.000 1.189 342 L CA 0.212 55.075 54.840 0.039 0.000 0.846 342 L CB 0.283 42.364 42.059 0.036 0.000 1.111 342 L HN 0.455 nan 8.230 nan 0.000 0.475 343 T N 4.468 119.040 114.554 0.030 0.000 2.794 343 T HA 0.636 4.972 4.350 -0.024 0.000 0.280 343 T C -0.197 174.536 174.700 0.054 0.000 0.987 343 T CA -0.253 61.870 62.100 0.038 0.000 0.993 343 T CB 0.995 69.881 68.868 0.030 0.000 0.939 343 T HN 0.297 nan 8.240 nan 0.000 0.449 344 I N 3.472 124.097 120.570 0.092 0.000 2.478 344 I HA 0.438 4.594 4.170 -0.024 0.000 0.287 344 I C -0.264 175.967 176.117 0.190 0.000 1.042 344 I CA -0.817 60.543 61.300 0.100 0.000 1.067 344 I CB 1.451 39.485 38.000 0.058 0.000 1.233 344 I HN 0.754 nan 8.210 nan 0.000 0.431 345 C N 4.237 123.635 119.300 0.163 0.000 2.441 345 C HA 0.984 5.430 4.460 -0.024 0.000 0.318 345 C C -0.066 175.064 174.990 0.233 0.000 1.222 345 C CA -0.414 58.748 59.018 0.240 0.000 1.474 345 C CB 0.583 28.444 27.740 0.202 0.000 2.125 345 C HN 0.853 nan 8.230 nan 0.000 0.479 346 A N 3.169 126.145 122.820 0.260 0.000 2.380 346 A HA 0.943 5.249 4.320 -0.024 0.000 0.315 346 A C 0.097 177.786 177.584 0.173 0.000 1.101 346 A CA -0.055 52.084 52.037 0.171 0.000 0.771 346 A CB 1.334 20.379 19.000 0.074 0.000 1.287 346 A HN 1.857 nan 8.150 nan 0.000 0.436 347 S N 0.222 115.934 115.700 0.019 0.000 2.693 347 S HA 0.488 4.943 4.470 -0.024 0.000 0.276 347 S C 0.635 175.129 174.600 -0.177 0.000 1.192 347 S CA 0.303 58.338 58.200 -0.275 0.000 0.994 347 S CB 1.132 63.994 63.200 -0.563 0.000 1.012 347 S HN 0.596 nan 8.310 nan 0.000 0.550 348 T N 0.756 115.162 114.554 -0.247 0.000 2.976 348 T HA 0.101 4.436 4.350 -0.024 0.000 0.257 348 T C 0.502 175.125 174.700 -0.129 0.000 1.051 348 T CA 0.700 62.718 62.100 -0.136 0.000 1.141 348 T CB -0.139 68.656 68.868 -0.121 0.000 0.881 348 T HN 0.545 nan 8.240 nan 0.000 0.461 349 Q N 0.926 120.618 119.800 -0.180 0.000 2.306 349 Q HA 0.362 4.687 4.340 -0.024 0.000 0.241 349 Q C 1.284 177.219 176.000 -0.108 0.000 0.948 349 Q CA -0.085 55.640 55.803 -0.131 0.000 0.886 349 Q CB 1.386 30.037 28.738 -0.144 0.000 1.227 349 Q HN 0.171 nan 8.270 nan 0.000 0.457 350 S N 1.270 116.928 115.700 -0.069 0.000 2.371 350 S HA 0.001 4.457 4.470 -0.024 0.000 0.221 350 S C -0.813 173.763 174.600 -0.039 0.000 1.036 350 S CA 0.446 58.617 58.200 -0.048 0.000 0.965 350 S CB -0.726 62.455 63.200 -0.032 0.000 0.845 350 S HN 0.473 nan 8.310 nan 0.000 0.475 351 P HA 0.217 nan 4.420 nan 0.000 0.223 351 P C -0.285 177.003 177.300 -0.020 0.000 1.151 351 P CA 0.472 63.560 63.100 -0.021 0.000 0.787 351 P CB 0.034 31.724 31.700 -0.016 0.000 0.788 352 V N -0.925 118.959 119.914 -0.051 0.000 6.244 352 V HA -0.112 3.994 4.120 -0.024 0.000 0.295 352 V C -2.047 174.050 176.094 0.005 0.000 0.550 352 V CA -0.711 61.560 62.300 -0.048 0.000 0.756 352 V CB -2.294 29.542 31.823 0.022 0.000 0.665 352 V HN 0.269 nan 8.190 nan 0.000 0.592 353 P HA 0.120 nan 4.420 nan 0.000 0.267 353 P C 1.200 178.545 177.300 0.075 0.000 1.201 353 P CA 0.893 64.004 63.100 0.019 0.000 0.775 353 P CB 0.762 32.460 31.700 -0.004 0.000 0.854 354 G N 0.436 109.278 108.800 0.069 0.000 3.026 354 G HA2 -0.043 3.903 3.960 -0.024 0.000 0.208 354 G HA3 -0.043 3.903 3.960 -0.024 0.000 0.208 354 G C 0.546 175.512 174.900 0.109 0.000 1.169 354 G CA 0.209 45.361 45.100 0.087 0.000 0.788 354 G HN 0.505 nan 8.290 nan 0.000 0.533 355 Q N 0.102 119.969 119.800 0.112 0.000 2.325 355 Q HA 0.457 4.783 4.340 -0.024 0.000 0.262 355 Q C -1.321 174.795 176.000 0.193 0.000 0.968 355 Q CA -1.025 54.854 55.803 0.127 0.000 0.877 355 Q CB 0.974 29.757 28.738 0.075 0.000 1.253 355 Q HN 0.301 nan 8.270 nan 0.000 0.448 356 Y N 3.219 123.587 120.300 0.113 0.000 2.335 356 Y HA 0.412 4.948 4.550 -0.024 0.000 0.331 356 Y C -0.921 175.072 175.900 0.155 0.000 1.094 356 Y CA 0.032 58.231 58.100 0.165 0.000 1.253 356 Y CB 0.941 39.444 38.460 0.073 0.000 1.203 356 Y HN 0.584 nan 8.280 nan 0.000 0.508 357 D N 5.046 125.160 120.400 -0.477 0.000 2.478 357 D HA 0.295 4.921 4.640 -0.024 0.000 0.240 357 D C 0.476 176.500 176.300 -0.461 0.000 1.364 357 D CA 0.218 53.985 54.000 -0.389 0.000 0.987 357 D CB 1.424 42.151 40.800 -0.122 0.000 1.328 357 D HN 0.800 nan 8.370 nan 0.000 0.584 358 A N 2.841 125.301 122.820 -0.600 0.000 1.909 358 A HA -0.308 3.998 4.320 -0.024 0.000 0.221 358 A C 2.056 179.638 177.584 -0.003 0.000 1.223 358 A CA 3.258 55.141 52.037 -0.258 0.000 0.658 358 A CB -1.357 17.609 19.000 -0.056 0.000 0.831 358 A HN 0.719 nan 8.150 nan 0.000 0.462 359 T N -2.610 111.930 114.554 -0.023 0.000 2.849 359 T HA -0.142 4.194 4.350 -0.024 0.000 0.270 359 T C 1.585 176.290 174.700 0.009 0.000 1.066 359 T CA 1.736 63.838 62.100 0.003 0.000 1.130 359 T CB -0.286 68.572 68.868 -0.017 0.000 0.864 359 T HN 0.513 nan 8.240 nan 0.000 0.481 360 K N -0.075 120.316 120.400 -0.014 0.000 2.551 360 K HA 0.163 4.469 4.320 -0.024 0.000 0.192 360 K C -0.904 175.556 176.600 -0.234 0.000 1.027 360 K CA -0.018 56.183 56.287 -0.143 0.000 1.059 360 K CB -0.047 32.303 32.500 -0.250 0.000 0.831 360 K HN 0.395 nan 8.250 nan 0.000 0.508 361 F N 0.314 120.234 119.950 -0.049 0.000 2.563 361 F HA 0.401 4.915 4.527 -0.023 0.000 0.316 361 F C -0.154 175.664 175.800 0.031 0.000 1.076 361 F CA -1.008 56.998 58.000 0.009 0.000 0.921 361 F CB 1.530 40.550 39.000 0.032 0.000 1.209 361 F HN -0.428 nan 8.300 nan 0.000 0.462 362 K N 1.837 122.400 120.400 0.271 0.000 2.235 362 K HA 0.399 4.705 4.320 -0.024 0.000 0.266 362 K C -0.981 175.748 176.600 0.216 0.000 0.980 362 K CA -0.934 55.463 56.287 0.183 0.000 0.849 362 K CB 2.002 34.648 32.500 0.243 0.000 1.098 362 K HN 0.538 nan 8.250 nan 0.000 0.445 363 Q N 2.358 122.172 119.800 0.024 0.000 2.278 363 Q HA 0.289 4.615 4.340 -0.024 0.000 0.257 363 Q C -1.570 174.348 176.000 -0.137 0.000 0.928 363 Q CA -0.180 55.651 55.803 0.047 0.000 0.932 363 Q CB 0.675 29.424 28.738 0.019 0.000 1.221 363 Q HN 0.337 nan 8.270 nan 0.000 0.434 364 Y N 0.139 120.451 120.300 0.020 0.000 2.549 364 Y HA 0.635 5.170 4.550 -0.024 0.000 0.339 364 Y C -0.133 175.738 175.900 -0.047 0.000 1.053 364 Y CA -1.084 57.011 58.100 -0.008 0.000 1.105 364 Y CB 2.376 40.834 38.460 -0.003 0.000 1.258 364 Y HN 0.471 nan 8.280 nan 0.000 0.478 365 S N 2.257 117.966 115.700 0.016 0.000 2.552 365 S HA 0.688 5.144 4.470 -0.024 0.000 0.314 365 S C -1.127 173.412 174.600 -0.102 0.000 1.099 365 S CA -0.727 57.421 58.200 -0.087 0.000 1.070 365 S CB 0.203 63.250 63.200 -0.256 0.000 0.998 365 S HN 0.513 nan 8.310 nan 0.000 0.474 366 R N 2.871 123.348 120.500 -0.038 0.000 2.670 366 R HA 0.450 4.776 4.340 -0.024 0.000 0.289 366 R C -0.752 175.581 176.300 0.055 0.000 0.965 366 R CA -0.628 55.464 56.100 -0.015 0.000 0.899 366 R CB 1.296 31.600 30.300 0.007 0.000 1.173 366 R HN 0.854 nan 8.270 nan 0.000 0.456 367 H N 0.685 119.721 119.070 -0.057 0.000 2.621 367 H HA 0.644 5.186 4.556 -0.024 0.000 0.360 367 H C -1.015 174.323 175.328 0.016 0.000 1.163 367 H CA -0.842 55.197 56.048 -0.015 0.000 1.194 367 H CB 2.016 31.774 29.762 -0.006 0.000 1.649 367 H HN 0.169 nan 8.280 nan 0.000 0.532 368 V N 2.351 121.925 119.914 -0.567 0.000 3.074 368 V HA 0.300 4.406 4.120 -0.024 0.000 0.314 368 V C -0.875 174.924 176.094 -0.492 0.000 1.117 368 V CA -0.665 61.420 62.300 -0.359 0.000 1.014 368 V CB 2.162 33.884 31.823 -0.168 0.000 1.057 368 V HN 0.803 nan 8.190 nan 0.000 0.438 369 E N 1.464 121.567 120.200 -0.162 0.000 2.343 369 E HA 0.437 4.772 4.350 -0.024 0.000 0.286 369 E C -1.387 175.262 176.600 0.081 0.000 0.915 369 E CA -0.419 55.956 56.400 -0.043 0.000 0.784 369 E CB 1.766 31.555 29.700 0.149 0.000 1.251 369 E HN 0.752 nan 8.360 nan 0.000 0.407 370 E N 4.326 124.485 120.200 -0.068 0.000 2.244 370 E HA 0.361 4.696 4.350 -0.024 0.000 0.260 370 E C -1.334 175.145 176.600 -0.202 0.000 0.884 370 E CA -0.509 55.876 56.400 -0.025 0.000 0.777 370 E CB 0.779 30.452 29.700 -0.044 0.000 1.197 370 E HN 0.428 nan 8.360 nan 0.000 0.416 371 Y N 1.658 121.905 120.300 -0.089 0.000 2.650 371 Y HA 0.480 5.016 4.550 -0.023 0.000 0.331 371 Y C -0.182 175.569 175.900 -0.249 0.000 1.082 371 Y CA -0.634 57.337 58.100 -0.214 0.000 1.171 371 Y CB 1.807 40.061 38.460 -0.344 0.000 1.326 371 Y HN 0.493 nan 8.280 nan 0.000 0.513 372 D N 1.183 121.510 120.400 -0.121 0.000 2.688 372 D HA 0.234 4.859 4.640 -0.024 0.000 0.210 372 D C -1.997 174.139 176.300 -0.273 0.000 1.333 372 D CA -0.193 53.702 54.000 -0.175 0.000 0.920 372 D CB 1.011 41.741 40.800 -0.118 0.000 1.554 372 D HN 0.517 nan 8.370 nan 0.000 0.579 373 L N 2.488 123.503 121.223 -0.347 0.000 2.309 373 L HA 0.506 4.832 4.340 -0.024 0.000 0.282 373 L C 0.180 176.764 176.870 -0.476 0.000 1.036 373 L CA -0.652 53.904 54.840 -0.472 0.000 0.806 373 L CB 1.761 43.569 42.059 -0.419 0.000 1.220 373 L HN 0.303 nan 8.230 nan 0.000 0.429 374 Q N 2.644 121.981 119.800 -0.771 0.000 2.397 374 Q HA 0.702 5.027 4.340 -0.024 0.000 0.275 374 Q C -1.611 173.725 176.000 -1.106 0.000 1.090 374 Q CA -0.594 54.796 55.803 -0.688 0.000 0.809 374 Q CB 3.031 31.528 28.738 -0.402 0.000 1.362 374 Q HN 0.347 nan 8.270 nan 0.000 0.431 375 F N 0.457 119.994 119.950 -0.689 0.000 2.664 375 F HA 0.610 5.123 4.527 -0.023 0.000 0.317 375 F C -0.694 174.576 175.800 -0.884 0.000 1.108 375 F CA -1.059 56.449 58.000 -0.821 0.000 0.957 375 F CB 1.453 39.766 39.000 -1.145 0.000 1.365 375 F HN 0.271 nan 8.300 nan 0.000 0.475 376 I N 1.941 122.125 120.570 -0.643 0.000 2.512 376 I HA 0.337 4.492 4.170 -0.024 0.000 0.287 376 I C -1.294 174.516 176.117 -0.512 0.000 1.069 376 I CA -0.727 60.261 61.300 -0.520 0.000 1.056 376 I CB 1.486 39.182 38.000 -0.507 0.000 1.229 376 I HN 0.417 nan 8.210 nan 0.000 0.429 377 F N 3.940 123.758 119.950 -0.221 0.000 2.480 377 F HA 0.475 4.988 4.527 -0.023 0.000 0.329 377 F C 0.522 176.413 175.800 0.152 0.000 1.091 377 F CA -0.664 57.263 58.000 -0.122 0.000 0.972 377 F CB 1.910 40.628 39.000 -0.470 0.000 1.150 377 F HN 0.379 nan 8.300 nan 0.000 0.467 378 Q N 3.188 123.266 119.800 0.463 0.000 2.307 378 Q HA 0.446 4.772 4.340 -0.024 0.000 0.262 378 Q C -1.304 174.910 176.000 0.358 0.000 0.961 378 Q CA -1.142 54.795 55.803 0.224 0.000 0.882 378 Q CB 1.705 30.492 28.738 0.081 0.000 1.264 378 Q HN 0.687 nan 8.270 nan 0.000 0.446 379 L N 3.838 125.236 121.223 0.291 0.000 2.455 379 L HA 0.229 4.555 4.340 -0.024 0.000 0.272 379 L C -1.268 175.500 176.870 -0.169 0.000 1.174 379 L CA 0.586 55.403 54.840 -0.038 0.000 0.869 379 L CB 0.583 42.601 42.059 -0.068 0.000 1.130 379 L HN 0.827 nan 8.230 nan 0.000 0.474 380 C N 2.298 121.429 119.300 -0.281 0.000 2.898 380 C HA 0.767 5.212 4.460 -0.024 0.000 0.304 380 C C -0.080 174.754 174.990 -0.260 0.000 1.237 380 C CA -0.545 58.345 59.018 -0.213 0.000 1.529 380 C CB 2.038 29.681 27.740 -0.162 0.000 2.021 380 C HN 0.903 nan 8.230 nan 0.000 0.474 381 T N 0.264 114.714 114.554 -0.173 0.000 2.829 381 T HA 0.779 5.114 4.350 -0.024 0.000 0.280 381 T C -0.881 173.783 174.700 -0.060 0.000 0.999 381 T CA -0.418 61.596 62.100 -0.143 0.000 0.983 381 T CB 0.747 69.566 68.868 -0.082 0.000 0.968 381 T HN 0.503 nan 8.240 nan 0.000 0.446 382 I N 2.908 123.446 120.570 -0.053 0.000 2.382 382 I HA 0.258 4.414 4.170 -0.024 0.000 0.286 382 I C 0.087 176.222 176.117 0.031 0.000 1.002 382 I CA -0.855 60.475 61.300 0.051 0.000 1.135 382 I CB 1.874 39.957 38.000 0.139 0.000 1.288 382 I HN 0.678 nan 8.210 nan 0.000 0.448 383 T N 7.448 122.044 114.554 0.070 0.000 2.727 383 T HA 0.352 4.687 4.350 -0.024 0.000 0.295 383 T C 0.212 174.953 174.700 0.068 0.000 0.915 383 T CA -0.340 61.790 62.100 0.050 0.000 1.066 383 T CB 0.121 69.017 68.868 0.047 0.000 0.891 383 T HN 0.293 nan 8.240 nan 0.000 0.516 384 L N 4.946 126.196 121.223 0.045 0.000 2.369 384 L HA 0.326 4.652 4.340 -0.024 0.000 0.279 384 L C 1.267 178.170 176.870 0.055 0.000 1.108 384 L CA -0.347 54.537 54.840 0.073 0.000 0.852 384 L CB 0.072 42.171 42.059 0.067 0.000 1.169 384 L HN 0.730 nan 8.230 nan 0.000 0.452 385 T N -0.328 114.262 114.554 0.060 0.000 2.910 385 T HA 0.615 4.951 4.350 -0.024 0.000 0.287 385 T C 1.041 175.763 174.700 0.037 0.000 1.050 385 T CA -0.125 61.999 62.100 0.040 0.000 1.011 385 T CB 1.820 70.708 68.868 0.033 0.000 1.195 385 T HN 0.442 nan 8.240 nan 0.000 0.540 386 A N 1.475 124.311 122.820 0.026 0.000 1.859 386 A HA -0.178 4.128 4.320 -0.024 0.000 0.218 386 A C 1.822 179.420 177.584 0.023 0.000 1.209 386 A CA 2.652 54.702 52.037 0.022 0.000 0.639 386 A CB -1.667 17.343 19.000 0.015 0.000 0.835 386 A HN 1.022 nan 8.150 nan 0.000 0.450 387 D N -0.480 119.931 120.400 0.018 0.000 2.144 387 D HA -0.070 4.556 4.640 -0.024 0.000 0.200 387 D C 1.541 177.855 176.300 0.023 0.000 0.978 387 D CA 1.159 55.169 54.000 0.018 0.000 0.833 387 D CB -0.760 40.042 40.800 0.004 0.000 0.961 387 D HN 0.214 nan 8.370 nan 0.000 0.470 388 V N 0.407 120.330 119.914 0.014 0.000 2.287 388 V HA -0.274 3.832 4.120 -0.024 0.000 0.248 388 V C 2.533 178.659 176.094 0.054 0.000 1.053 388 V CA 1.873 64.175 62.300 0.004 0.000 1.027 388 V CB -0.532 31.324 31.823 0.056 0.000 0.646 388 V HN 0.211 nan 8.190 nan 0.000 0.447 389 M N 0.533 120.171 119.600 0.064 0.000 2.254 389 M HA -0.118 4.347 4.480 -0.024 0.000 0.265 389 M C 2.352 178.662 176.300 0.017 0.000 1.066 389 M CA 1.871 57.208 55.300 0.061 0.000 1.123 389 M CB -0.372 32.266 32.600 0.063 0.000 1.388 389 M HN 0.561 nan 8.290 nan 0.000 0.425 390 S N -0.673 115.040 115.700 0.022 0.000 2.423 390 S HA -0.171 4.285 4.470 -0.024 0.000 0.231 390 S C 1.781 176.376 174.600 -0.009 0.000 1.014 390 S CA 0.702 58.902 58.200 -0.000 0.000 0.965 390 S CB -0.840 62.366 63.200 0.011 0.000 0.785 390 S HN 0.573 nan 8.310 nan 0.000 0.495 391 Y N 2.326 122.561 120.300 -0.107 0.000 2.163 391 Y HA 0.112 4.648 4.550 -0.024 0.000 0.288 391 Y C 1.928 177.722 175.900 -0.177 0.000 1.136 391 Y CA 1.246 59.259 58.100 -0.144 0.000 1.147 391 Y CB -0.352 37.967 38.460 -0.235 0.000 0.987 391 Y HN 0.197 nan 8.280 nan 0.000 0.509 392 I N 0.240 120.721 120.570 -0.148 0.000 2.614 392 I HA -0.246 3.910 4.170 -0.024 0.000 0.258 392 I C 2.269 178.183 176.117 -0.337 0.000 1.189 392 I CA 1.248 62.380 61.300 -0.280 0.000 1.462 392 I CB -0.336 37.576 38.000 -0.147 0.000 1.092 392 I HN 0.316 nan 8.210 nan 0.000 0.442 393 Q N 1.196 120.860 119.800 -0.227 0.000 1.990 393 Q HA -0.157 4.169 4.340 -0.024 0.000 0.200 393 Q C 2.312 178.180 176.000 -0.220 0.000 0.980 393 Q CA 2.496 58.186 55.803 -0.188 0.000 0.832 393 Q CB -0.187 28.485 28.738 -0.110 0.000 0.897 393 Q HN 0.359 nan 8.270 nan 0.000 0.427 394 S N 0.317 115.885 115.700 -0.219 0.000 2.370 394 S HA -0.218 4.238 4.470 -0.024 0.000 0.226 394 S C 1.864 176.299 174.600 -0.274 0.000 1.033 394 S CA 1.543 59.626 58.200 -0.196 0.000 1.011 394 S CB -0.474 62.634 63.200 -0.153 0.000 0.852 394 S HN 0.531 nan 8.310 nan 0.000 0.457 395 M N 1.154 120.460 119.600 -0.489 0.000 2.067 395 M HA -0.077 4.389 4.480 -0.024 0.000 0.260 395 M C 0.394 176.327 176.300 -0.611 0.000 1.069 395 M CA 1.573 56.417 55.300 -0.759 0.000 1.117 395 M CB 0.044 32.035 32.600 -1.014 0.000 1.334 395 M HN 0.320 nan 8.290 nan 0.000 0.407 396 N N -0.556 117.855 118.700 -0.482 0.000 3.049 396 N HA 0.044 4.769 4.740 -0.024 0.000 0.241 396 N C 0.267 175.589 175.510 -0.313 0.000 1.323 396 N CA 0.269 53.101 53.050 -0.363 0.000 0.824 396 N CB 0.843 39.097 38.487 -0.387 0.000 1.557 396 N HN 0.258 nan 8.380 nan 0.000 0.612 397 S N 0.924 116.484 115.700 -0.233 0.000 2.383 397 S HA -0.213 4.242 4.470 -0.024 0.000 0.229 397 S C 1.888 176.356 174.600 -0.220 0.000 1.030 397 S CA 1.699 59.775 58.200 -0.207 0.000 1.002 397 S CB -0.450 62.661 63.200 -0.147 0.000 0.829 397 S HN 0.627 nan 8.310 nan 0.000 0.467 398 S N 2.225 117.823 115.700 -0.169 0.000 2.440 398 S HA 0.004 4.460 4.470 -0.024 0.000 0.238 398 S C 1.724 176.131 174.600 -0.321 0.000 1.010 398 S CA 1.105 59.228 58.200 -0.129 0.000 0.972 398 S CB -0.920 62.302 63.200 0.036 0.000 0.774 398 S HN 0.598 nan 8.310 nan 0.000 0.501 399 I N 0.931 121.238 120.570 -0.439 0.000 2.252 399 I HA -0.095 4.061 4.170 -0.024 0.000 0.245 399 I C 2.272 177.709 176.117 -1.133 0.000 1.102 399 I CA 1.158 61.955 61.300 -0.839 0.000 1.385 399 I CB -0.302 37.207 38.000 -0.819 0.000 1.064 399 I HN 0.289 nan 8.210 nan 0.000 0.414 400 L N 0.209 121.007 121.223 -0.708 0.000 2.291 400 L HA -0.143 4.183 4.340 -0.024 0.000 0.214 400 L C 2.388 179.100 176.870 -0.263 0.000 1.120 400 L CA 0.862 55.435 54.840 -0.445 0.000 0.799 400 L CB -0.305 41.646 42.059 -0.180 0.000 0.925 400 L HN 0.234 nan 8.230 nan 0.000 0.446 401 E N 0.288 120.313 120.200 -0.292 0.000 2.017 401 E HA -0.242 4.094 4.350 -0.024 0.000 0.193 401 E C 1.600 178.116 176.600 -0.140 0.000 0.997 401 E CA 1.623 57.921 56.400 -0.171 0.000 0.804 401 E CB 0.138 29.748 29.700 -0.149 0.000 0.757 401 E HN 0.398 nan 8.360 nan 0.000 0.448 402 D N -0.362 119.891 120.400 -0.245 0.000 2.221 402 D HA -0.184 4.442 4.640 -0.024 0.000 0.204 402 D C 1.233 177.543 176.300 0.017 0.000 0.982 402 D CA 0.698 54.600 54.000 -0.163 0.000 0.857 402 D CB -0.258 40.374 40.800 -0.281 0.000 0.934 402 D HN 0.421 nan 8.370 nan 0.000 0.475 403 W N 1.146 122.401 121.300 -0.074 0.000 3.180 403 W HA 0.122 4.768 4.660 -0.024 0.000 0.254 403 W C 0.462 176.964 176.519 -0.028 0.000 1.318 403 W CA -0.255 57.065 57.345 -0.040 0.000 1.608 403 W CB -1.070 28.375 29.460 -0.026 0.000 1.124 403 W HN -0.098 nan 8.180 nan 0.000 0.694 439 K N 1.143 121.539 120.400 -0.005 0.000 2.234 439 K HA 0.261 4.566 4.320 -0.024 0.000 0.277 439 K C -0.902 175.684 176.600 -0.024 0.000 1.038 439 K CA -0.399 55.882 56.287 -0.011 0.000 0.888 439 K CB 0.544 33.031 32.500 -0.021 0.000 1.091 439 K HN 0.342 nan 8.250 nan 0.000 0.467 440 D N 4.676 125.070 120.400 -0.010 0.000 2.225 440 D HA 0.122 4.748 4.640 -0.024 0.000 0.248 440 D C -1.541 174.697 176.300 -0.103 0.000 1.096 440 D CA -1.920 52.059 54.000 -0.034 0.000 0.863 440 D CB 1.436 42.266 40.800 0.050 0.000 1.156 440 D HN 0.261 nan 8.370 nan 0.000 0.450 441 P HA -0.120 nan 4.420 nan 0.000 0.226 441 P C 0.260 177.370 177.300 -0.316 0.000 1.146 441 P CA 1.035 63.895 63.100 -0.400 0.000 0.773 441 P CB -0.120 31.182 31.700 -0.663 0.000 0.772 442 Y N -1.247 119.114 120.300 0.102 0.000 2.612 442 Y HA 0.162 4.698 4.550 -0.023 0.000 0.250 442 Y C 1.515 177.515 175.900 0.167 0.000 1.175 442 Y CA -0.623 57.590 58.100 0.189 0.000 1.205 442 Y CB 0.062 38.743 38.460 0.368 0.000 1.201 442 Y HN -0.146 nan 8.280 nan 0.000 0.532 443 D N 0.677 121.197 120.400 0.200 0.000 2.350 443 D HA -0.101 4.525 4.640 -0.024 0.000 0.216 443 D C 1.610 177.959 176.300 0.081 0.000 0.968 443 D CA 0.953 55.035 54.000 0.137 0.000 0.894 443 D CB 0.200 41.048 40.800 0.079 0.000 0.909 443 D HN 0.342 nan 8.370 nan 0.000 0.520 444 K N 0.031 120.472 120.400 0.068 0.000 2.305 444 K HA 0.086 4.392 4.320 -0.024 0.000 0.199 444 K C 0.974 177.550 176.600 -0.040 0.000 1.047 444 K CA 0.123 56.419 56.287 0.015 0.000 0.976 444 K CB 0.547 33.053 32.500 0.011 0.000 0.765 444 K HN 0.192 nan 8.250 nan 0.000 0.474 445 L N 2.085 123.266 121.223 -0.072 0.000 2.418 445 L HA 0.169 4.494 4.340 -0.024 0.000 0.265 445 L C 0.362 176.929 176.870 -0.505 0.000 1.143 445 L CA -0.751 53.904 54.840 -0.308 0.000 0.809 445 L CB 0.348 42.151 42.059 -0.426 0.000 1.124 445 L HN -0.221 nan 8.230 nan 0.000 0.456 446 K N 2.599 122.676 120.400 -0.539 0.000 2.234 446 K HA 0.556 4.862 4.320 -0.024 0.000 0.282 446 K C -0.874 175.363 176.600 -0.605 0.000 1.039 446 K CA 0.152 56.194 56.287 -0.407 0.000 0.928 446 K CB 0.893 33.270 32.500 -0.204 0.000 1.039 446 K HN 0.325 nan 8.250 nan 0.000 0.470 447 F N 0.213 120.194 119.950 0.052 0.000 2.629 447 F HA 0.298 4.810 4.527 -0.024 0.000 0.316 447 F C -0.313 175.552 175.800 0.108 0.000 1.081 447 F CA -1.253 56.791 58.000 0.072 0.000 0.954 447 F CB 1.542 40.601 39.000 0.098 0.000 1.337 447 F HN 0.371 nan 8.300 nan 0.000 0.474 448 W N 4.219 125.592 121.300 0.122 0.000 2.342 448 W HA 0.322 4.968 4.660 -0.024 0.000 0.310 448 W C -1.113 175.491 176.519 0.142 0.000 1.128 448 W CA -1.042 56.345 57.345 0.070 0.000 1.322 448 W CB 0.436 29.859 29.460 -0.062 0.000 1.251 448 W HN 0.422 nan 8.180 nan 0.000 0.439 449 N N 4.716 123.718 118.700 0.503 0.000 2.472 449 N HA 0.234 4.960 4.740 -0.024 0.000 0.277 449 N C -1.096 174.615 175.510 0.334 0.000 1.081 449 N CA -0.223 53.019 53.050 0.320 0.000 0.973 449 N CB 2.265 40.865 38.487 0.189 0.000 1.105 449 N HN 0.070 nan 8.380 nan 0.000 0.470 450 V N 2.140 122.159 119.914 0.175 0.000 2.376 450 V HA 0.111 4.217 4.120 -0.024 0.000 0.287 450 V C -0.106 176.012 176.094 0.040 0.000 1.015 450 V CA -0.843 61.521 62.300 0.107 0.000 0.834 450 V CB 1.682 33.505 31.823 -0.000 0.000 1.001 450 V HN 0.565 nan 8.190 nan 0.000 0.428 451 D N 4.827 125.258 120.400 0.052 0.000 2.274 451 D HA 0.328 4.954 4.640 -0.024 0.000 0.239 451 D C 0.293 176.603 176.300 0.016 0.000 1.104 451 D CA -0.218 53.792 54.000 0.018 0.000 0.840 451 D CB 1.840 42.661 40.800 0.034 0.000 1.100 451 D HN 0.463 nan 8.370 nan 0.000 0.477 452 L N 3.750 124.967 121.223 -0.010 0.000 2.769 452 L HA 0.165 4.490 4.340 -0.024 0.000 0.240 452 L C 1.875 178.764 176.870 0.031 0.000 1.163 452 L CA -0.126 54.738 54.840 0.039 0.000 0.962 452 L CB 0.321 42.421 42.059 0.068 0.000 1.258 452 L HN 0.205 nan 8.230 nan 0.000 0.513 453 K N 0.280 120.652 120.400 -0.047 0.000 2.217 453 K HA -0.027 4.279 4.320 -0.024 0.000 0.202 453 K C 0.714 177.291 176.600 -0.037 0.000 1.051 453 K CA 0.710 56.914 56.287 -0.138 0.000 0.952 453 K CB 0.278 32.722 32.500 -0.094 0.000 0.736 453 K HN 0.163 nan 8.250 nan 0.000 0.453 454 E N 0.844 121.071 120.200 0.045 0.000 2.411 454 E HA 0.069 4.405 4.350 -0.024 0.000 0.204 454 E C 0.176 176.864 176.600 0.146 0.000 1.059 454 E CA 0.186 56.648 56.400 0.102 0.000 1.112 454 E CB 0.566 30.319 29.700 0.088 0.000 1.168 454 E HN 0.205 nan 8.360 nan 0.000 0.445 455 K N -0.088 120.425 120.400 0.189 0.000 2.554 455 K HA 0.173 4.479 4.320 -0.024 0.000 0.211 455 K C 0.086 176.854 176.600 0.280 0.000 1.226 455 K CA -0.305 56.108 56.287 0.209 0.000 1.025 455 K CB 0.728 33.315 32.500 0.146 0.000 1.021 455 K HN -0.064 nan 8.250 nan 0.000 0.600 456 F N 2.030 121.997 119.950 0.030 0.000 2.471 456 F HA 0.199 4.712 4.527 -0.023 0.000 0.353 456 F C 0.987 176.969 175.800 0.302 0.000 1.113 456 F CA -0.083 57.979 58.000 0.104 0.000 1.262 456 F CB 1.088 40.057 39.000 -0.050 0.000 1.146 456 F HN -0.205 nan 8.300 nan 0.000 0.578 457 S N 2.620 118.572 115.700 0.420 0.000 2.588 457 S HA 0.580 5.036 4.470 -0.024 0.000 0.275 457 S C 0.059 174.731 174.600 0.120 0.000 1.130 457 S CA -0.680 57.699 58.200 0.298 0.000 0.855 457 S CB 1.123 64.442 63.200 0.198 0.000 1.116 457 S HN 0.626 nan 8.310 nan 0.000 0.472 458 L N 1.169 122.401 121.223 0.017 0.000 2.556 458 L HA 0.277 4.602 4.340 -0.024 0.000 0.226 458 L C -0.376 176.476 176.870 -0.029 0.000 1.089 458 L CA 0.210 54.935 54.840 -0.192 0.000 0.864 458 L CB 0.077 42.010 42.059 -0.210 0.000 1.067 458 L HN 0.646 nan 8.230 nan 0.000 0.477 459 D N 0.525 120.971 120.400 0.076 0.000 2.468 459 D HA 0.140 4.765 4.640 -0.024 0.000 0.218 459 D C 1.191 177.595 176.300 0.173 0.000 1.155 459 D CA -0.202 53.858 54.000 0.100 0.000 0.924 459 D CB 0.395 41.237 40.800 0.071 0.000 1.029 459 D HN 0.053 nan 8.370 nan 0.000 0.515 460 L N 0.487 121.803 121.223 0.154 0.000 2.083 460 L HA -0.151 4.175 4.340 -0.024 0.000 0.209 460 L C 2.081 179.057 176.870 0.178 0.000 1.083 460 L CA 1.135 56.097 54.840 0.203 0.000 0.752 460 L CB -0.440 41.738 42.059 0.198 0.000 0.899 460 L HN 0.398 nan 8.230 nan 0.000 0.433 461 D N 0.296 120.758 120.400 0.102 0.000 2.280 461 D HA -0.226 4.399 4.640 -0.024 0.000 0.206 461 D C 1.779 178.064 176.300 -0.025 0.000 0.988 461 D CA 1.110 55.135 54.000 0.041 0.000 0.886 461 D CB 0.174 40.987 40.800 0.022 0.000 0.914 461 D HN 0.425 nan 8.370 nan 0.000 0.473 462 Q N -0.776 118.982 119.800 -0.070 0.000 2.451 462 Q HA -0.016 4.310 4.340 -0.024 0.000 0.206 462 Q C -0.274 175.322 176.000 -0.673 0.000 0.947 462 Q CA 0.466 56.046 55.803 -0.370 0.000 0.937 462 Q CB 0.235 28.664 28.738 -0.516 0.000 1.025 462 Q HN 0.463 nan 8.270 nan 0.000 0.511 463 Y N -0.605 119.599 120.300 -0.161 0.000 2.512 463 Y HA 0.242 4.777 4.550 -0.024 0.000 0.348 463 Y C -1.593 174.271 175.900 -0.060 0.000 0.990 463 Y CA -2.558 55.415 58.100 -0.211 0.000 1.033 463 Y CB 1.301 39.374 38.460 -0.644 0.000 1.259 463 Y HN -0.187 nan 8.280 nan 0.000 0.461 464 P HA -0.251 nan 4.420 nan 0.000 0.211 464 P C 1.811 179.191 177.300 0.134 0.000 1.181 464 P CA 1.587 64.740 63.100 0.089 0.000 0.929 464 P CB 0.519 32.255 31.700 0.060 0.000 0.789 465 L N -0.553 120.761 121.223 0.152 0.000 2.043 465 L HA -0.157 4.169 4.340 -0.024 0.000 0.212 465 L C 2.593 179.642 176.870 0.298 0.000 1.075 465 L CA 2.308 57.241 54.840 0.154 0.000 0.752 465 L CB -1.442 40.632 42.059 0.025 0.000 0.891 465 L HN 0.059 nan 8.230 nan 0.000 0.432 466 G N 0.110 109.112 108.800 0.338 0.000 2.553 466 G HA2 -0.347 3.599 3.960 -0.024 0.000 0.218 466 G HA3 -0.347 3.599 3.960 -0.024 0.000 0.218 466 G C 1.526 176.582 174.900 0.260 0.000 1.195 466 G CA 1.182 46.471 45.100 0.314 0.000 0.779 466 G HN 0.444 nan 8.290 nan 0.000 0.577 467 R N 0.366 120.970 120.500 0.174 0.000 2.092 467 R HA 0.063 4.389 4.340 -0.024 0.000 0.231 467 R C 2.571 178.928 176.300 0.096 0.000 1.119 467 R CA 1.207 57.367 56.100 0.100 0.000 0.970 467 R CB -0.294 30.035 30.300 0.049 0.000 0.864 467 R HN 0.290 nan 8.270 nan 0.000 0.440 468 K N 0.238 120.735 120.400 0.162 0.000 2.152 468 K HA -0.165 4.141 4.320 -0.024 0.000 0.206 468 K C 1.821 178.517 176.600 0.159 0.000 1.048 468 K CA 1.373 57.781 56.287 0.202 0.000 0.933 468 K CB -0.193 32.483 32.500 0.293 0.000 0.721 468 K HN 0.127 nan 8.250 nan 0.000 0.447 469 F N 1.543 121.532 119.950 0.066 0.000 2.163 469 F HA -0.064 4.448 4.527 -0.025 0.000 0.297 469 F C 1.710 177.291 175.800 -0.364 0.000 1.094 469 F CA 0.971 58.782 58.000 -0.315 0.000 1.290 469 F CB -0.176 38.765 39.000 -0.098 0.000 1.017 469 F HN -0.144 nan 8.300 nan 0.000 0.483 470 L N -0.290 120.792 121.223 -0.235 0.000 2.042 470 L HA -0.243 4.082 4.340 -0.024 0.000 0.210 470 L C 2.365 179.027 176.870 -0.346 0.000 1.076 470 L CA 1.233 55.888 54.840 -0.308 0.000 0.749 470 L CB -0.894 41.120 42.059 -0.075 0.000 0.893 470 L HN 0.067 nan 8.230 nan 0.000 0.432 471 V N -0.440 119.324 119.914 -0.250 0.000 2.233 471 V HA -0.337 3.768 4.120 -0.024 0.000 0.247 471 V C 2.473 178.375 176.094 -0.319 0.000 1.050 471 V CA 2.142 64.314 62.300 -0.214 0.000 1.010 471 V CB -0.807 30.942 31.823 -0.123 0.000 0.637 471 V HN 0.567 nan 8.190 nan 0.000 0.444 472 Q N 0.474 119.997 119.800 -0.461 0.000 2.226 472 Q HA -0.188 4.137 4.340 -0.024 0.000 0.204 472 Q C 2.035 177.695 176.000 -0.566 0.000 0.975 472 Q CA 2.031 57.508 55.803 -0.542 0.000 0.866 472 Q CB -0.206 27.990 28.738 -0.903 0.000 0.915 472 Q HN 0.640 nan 8.270 nan 0.000 0.440 473 A N -0.753 121.654 122.820 -0.689 0.000 2.169 473 A HA 0.276 4.582 4.320 -0.024 0.000 0.212 473 A C 1.594 178.975 177.584 -0.338 0.000 1.153 473 A CA 1.390 53.075 52.037 -0.588 0.000 0.756 473 A CB -0.110 18.419 19.000 -0.784 0.000 0.813 473 A HN 0.617 nan 8.150 nan 0.000 0.471 474 G N -0.740 107.888 108.800 -0.287 0.000 2.792 474 G HA2 -0.206 3.740 3.960 -0.024 0.000 0.201 474 G HA3 -0.206 3.740 3.960 -0.024 0.000 0.201 474 G C 0.470 175.281 174.900 -0.148 0.000 1.322 474 G CA -0.166 44.823 45.100 -0.185 0.000 0.910 474 G HN 1.039 nan 8.290 nan 0.000 0.535 475 L N 0.000 121.136 121.223 -0.146 0.000 2.949 475 L HA 0.000 4.326 4.340 -0.024 0.000 0.249 475 L CA 0.000 54.780 54.840 -0.099 0.000 0.813 475 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502