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 1ec7_1_C DATA FIRST_RESID 5 DATA SEQUENCE FTTPVVTEMQ VIPVAGHDSM LMNLSGAHAP FFTRNIVIIK DNSGHTGVGE DATA SEQUENCE IPGGEKIRKT LEDAIPLVVG KTLGEYKNVL TLVRNTFAXX XXXXXXXXXX DATA SEQUENCE XXRTTIHVVT GIEAAMLDLL GQHLGVNVAS LLGDGQQRSE VEMLGYLFFV DATA SEQUENCE GNRKATPLPY QSQPDDSCDW YRLRHEEAMT PDAVVRLAEA AYEKYGFNDF DATA SEQUENCE KLKGGVLAGE EEAESIVALA QRFPQARITL DPNGAWSLNE AIKIGKYLKG DATA SEQUENCE SLAYAEDPCG AEQGFSGREV MAEFRRATGL PTATNMIATD WRQMGHTLSL DATA SEQUENCE QSVDIPLADP HFWTMQGSVR VAQMCHEFGL TWGSHSNNHF DISLAMFTHV DATA SEQUENCE AAAAPGKITA IDTHWIWQEG NQRLTKEPFE IKGGLVQVPE KPGLGVEIDM DATA SEQUENCE DQVMKAHELY QKHGLGARDD AMGMQYLIPG WTFDNKRPCM VR 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.845 175.800 0.075 0.000 0.967 5 F CA 0.000 58.035 58.000 0.059 0.000 1.383 5 F CB 0.000 39.023 39.000 0.039 0.000 1.145 6 T N 0.233 114.891 114.554 0.173 0.000 2.829 6 T HA 0.445 4.806 4.350 0.020 0.000 0.282 6 T C 0.312 175.044 174.700 0.053 0.000 0.990 6 T CA -0.426 61.736 62.100 0.102 0.000 1.028 6 T CB 1.756 70.643 68.868 0.032 0.000 0.951 6 T HN 0.059 nan 8.240 nan 0.000 0.460 7 T N 5.672 120.211 114.554 -0.025 0.000 2.832 7 T HA 0.371 4.733 4.350 0.020 0.000 0.296 7 T C -2.117 172.433 174.700 -0.250 0.000 0.968 7 T CA -0.982 60.986 62.100 -0.220 0.000 1.107 7 T CB 0.588 69.410 68.868 -0.076 0.000 0.916 7 T HN 0.348 nan 8.240 nan 0.000 0.517 8 P HA 0.356 nan 4.420 nan 0.000 0.274 8 P C -0.817 176.405 177.300 -0.131 0.000 1.237 8 P CA -0.568 62.397 63.100 -0.226 0.000 0.793 8 P CB 0.607 32.168 31.700 -0.231 0.000 0.977 9 V N 2.555 122.418 119.914 -0.085 0.000 2.628 9 V HA 0.263 4.395 4.120 0.020 0.000 0.306 9 V C -0.439 175.634 176.094 -0.035 0.000 1.045 9 V CA -1.045 61.227 62.300 -0.048 0.000 0.905 9 V CB 2.142 33.943 31.823 -0.036 0.000 0.997 9 V HN 0.202 nan 8.190 nan 0.000 0.436 10 V N 6.371 126.275 119.914 -0.017 0.000 2.529 10 V HA 0.163 4.295 4.120 0.020 0.000 0.292 10 V C 1.506 177.593 176.094 -0.012 0.000 1.028 10 V CA 1.012 63.306 62.300 -0.009 0.000 1.074 10 V CB 0.864 32.690 31.823 0.005 0.000 0.958 10 V HN 1.129 nan 8.190 nan 0.000 0.481 11 T N 1.415 115.960 114.554 -0.015 0.000 3.042 11 T HA 0.280 4.642 4.350 0.020 0.000 0.245 11 T C 0.360 175.053 174.700 -0.012 0.000 1.029 11 T CA 0.031 62.121 62.100 -0.016 0.000 1.120 11 T CB 0.344 69.199 68.868 -0.022 0.000 0.917 11 T HN 0.675 nan 8.240 nan 0.000 0.467 12 E N -0.066 120.128 120.200 -0.011 0.000 2.412 12 E HA 0.623 4.985 4.350 0.020 0.000 0.279 12 E C -1.530 175.062 176.600 -0.012 0.000 0.984 12 E CA -0.778 55.615 56.400 -0.013 0.000 0.788 12 E CB 2.653 32.343 29.700 -0.017 0.000 1.277 12 E HN 0.294 nan 8.360 nan 0.000 0.455 13 M N 2.153 121.743 119.600 -0.016 0.000 2.470 13 M HA 0.347 4.839 4.480 0.020 0.000 0.285 13 M C -2.279 174.002 176.300 -0.031 0.000 1.213 13 M CA -0.246 55.043 55.300 -0.019 0.000 0.901 13 M CB 2.469 35.063 32.600 -0.010 0.000 1.718 13 M HN 0.665 nan 8.290 nan 0.000 0.469 14 Q N 2.650 122.425 119.800 -0.043 0.000 2.522 14 Q HA 0.712 5.064 4.340 0.020 0.000 0.285 14 Q C -2.288 173.669 176.000 -0.073 0.000 0.982 14 Q CA -1.005 54.762 55.803 -0.059 0.000 0.805 14 Q CB 2.736 31.432 28.738 -0.070 0.000 1.457 14 Q HN 0.668 nan 8.270 nan 0.000 0.394 15 V N 3.241 123.102 119.914 -0.088 0.000 2.540 15 V HA 0.695 4.827 4.120 0.020 0.000 0.302 15 V C -1.432 174.573 176.094 -0.149 0.000 1.035 15 V CA -0.680 61.559 62.300 -0.103 0.000 0.873 15 V CB 1.501 33.272 31.823 -0.087 0.000 0.992 15 V HN 0.817 nan 8.190 nan 0.000 0.428 16 I N 8.842 129.308 120.570 -0.174 0.000 2.439 16 I HA 0.455 4.637 4.170 0.020 0.000 0.285 16 I C -2.552 173.431 176.117 -0.223 0.000 1.021 16 I CA -1.979 59.171 61.300 -0.250 0.000 1.091 16 I CB 2.553 40.381 38.000 -0.287 0.000 1.242 16 I HN 0.476 nan 8.210 nan 0.000 0.439 17 P HA 0.230 nan 4.420 nan 0.000 0.281 17 P C -0.681 176.332 177.300 -0.478 0.000 1.252 17 P CA -0.177 62.611 63.100 -0.519 0.000 0.778 17 P CB 1.516 32.609 31.700 -1.012 0.000 0.895 18 V N -0.093 119.602 119.914 -0.365 0.000 3.141 18 V HA 1.002 5.134 4.120 0.020 0.000 0.312 18 V C -0.919 175.179 176.094 0.005 0.000 1.157 18 V CA -1.505 60.709 62.300 -0.142 0.000 1.041 18 V CB 1.711 33.446 31.823 -0.147 0.000 1.071 18 V HN 0.678 nan 8.190 nan 0.000 0.441 19 A N 0.445 123.295 122.820 0.050 0.000 2.475 19 A HA 1.035 5.367 4.320 0.020 0.000 0.301 19 A C -0.115 177.409 177.584 -0.101 0.000 1.059 19 A CA -0.105 51.899 52.037 -0.055 0.000 0.710 19 A CB 1.634 20.584 19.000 -0.084 0.000 1.288 19 A HN 2.066 nan 8.150 nan 0.000 0.408 20 G N -0.428 107.998 108.800 -0.623 0.000 2.730 20 G HA2 0.601 4.573 3.960 0.020 0.000 0.289 20 G HA3 0.601 4.573 3.960 0.020 0.000 0.289 20 G C -1.352 173.440 174.900 -0.180 0.000 1.341 20 G CA -0.645 44.202 45.100 -0.421 0.000 0.932 20 G HN 0.807 nan 8.290 nan 0.000 0.481 21 H N -0.369 118.852 119.070 0.251 0.000 2.502 21 H HA 0.572 5.140 4.556 0.020 0.000 0.327 21 H C -0.630 174.852 175.328 0.257 0.000 1.099 21 H CA 0.059 56.199 56.048 0.153 0.000 1.323 21 H CB 1.897 31.696 29.762 0.063 0.000 1.450 21 H HN 0.454 nan 8.280 nan 0.000 0.502 22 D N 0.189 120.735 120.400 0.243 0.000 2.559 22 D HA 0.395 5.046 4.640 0.020 0.000 0.250 22 D C -0.569 175.843 176.300 0.187 0.000 1.135 22 D CA -0.599 53.514 54.000 0.188 0.000 0.955 22 D CB 1.761 42.652 40.800 0.153 0.000 1.442 22 D HN 0.453 nan 8.370 nan 0.000 0.471 23 S N 0.269 116.020 115.700 0.084 0.000 2.693 23 S HA 0.290 4.772 4.470 0.020 0.000 0.276 23 S C 0.589 175.136 174.600 -0.088 0.000 1.192 23 S CA -0.700 57.528 58.200 0.046 0.000 0.994 23 S CB 0.871 64.042 63.200 -0.048 0.000 1.012 23 S HN 0.549 nan 8.310 nan 0.000 0.550 24 M N 2.538 121.964 119.600 -0.291 0.000 3.705 24 M HA 0.151 4.643 4.480 0.020 0.000 0.191 24 M C -1.217 174.858 176.300 -0.375 0.000 1.570 24 M CA 0.052 55.108 55.300 -0.406 0.000 1.714 24 M CB -0.995 31.147 32.600 -0.764 0.000 1.148 24 M HN 0.411 nan 8.290 nan 0.000 0.547 25 L N 3.477 124.352 121.223 -0.579 0.000 2.361 25 L HA 0.204 4.556 4.340 0.020 0.000 0.278 25 L C 0.169 176.753 176.870 -0.477 0.000 1.113 25 L CA -0.301 54.026 54.840 -0.856 0.000 0.849 25 L CB 0.439 41.348 42.059 -1.917 0.000 1.155 25 L HN 0.437 nan 8.230 nan 0.000 0.452 26 M N 4.373 123.896 119.600 -0.129 0.000 2.274 26 M HA 0.351 4.843 4.480 0.020 0.000 0.344 26 M C -0.052 176.339 176.300 0.151 0.000 1.161 26 M CA 0.046 55.360 55.300 0.022 0.000 1.126 26 M CB 0.827 33.471 32.600 0.074 0.000 1.522 26 M HN 0.747 nan 8.290 nan 0.000 0.461 27 N N 0.400 119.186 118.700 0.143 0.000 3.179 27 N HA 0.280 5.032 4.740 0.020 0.000 0.250 27 N C -0.047 175.588 175.510 0.208 0.000 1.507 27 N CA -0.926 52.242 53.050 0.197 0.000 0.883 27 N CB 1.335 39.978 38.487 0.259 0.000 1.435 27 N HN 0.319 nan 8.380 nan 0.000 0.532 28 L N 1.421 122.781 121.223 0.228 0.000 2.129 28 L HA -0.142 4.210 4.340 0.020 0.000 0.212 28 L C 2.394 179.592 176.870 0.546 0.000 1.087 28 L CA 2.423 57.447 54.840 0.307 0.000 0.757 28 L CB -0.695 41.517 42.059 0.256 0.000 0.896 28 L HN 0.831 nan 8.230 nan 0.000 0.434 29 S N -1.733 114.254 115.700 0.478 0.000 2.522 29 S HA 0.393 4.875 4.470 0.020 0.000 0.227 29 S C 1.030 175.892 174.600 0.438 0.000 0.986 29 S CA 0.339 58.836 58.200 0.495 0.000 0.929 29 S CB -0.236 63.050 63.200 0.143 0.000 0.769 29 S HN 0.775 nan 8.310 nan 0.000 0.529 30 G N 0.429 109.332 108.800 0.172 0.000 2.240 30 G HA2 0.405 4.377 3.960 0.020 0.000 0.199 30 G HA3 0.405 4.377 3.960 0.020 0.000 0.199 30 G C -1.085 173.737 174.900 -0.130 0.000 1.342 30 G CA -0.383 44.558 45.100 -0.264 0.000 1.145 30 G HN 1.159 nan 8.290 nan 0.000 0.477 31 A N -0.281 122.471 122.820 -0.113 0.000 2.331 31 A HA 0.797 5.129 4.320 0.020 0.000 0.320 31 A C -0.207 177.454 177.584 0.128 0.000 1.138 31 A CA -0.391 51.638 52.037 -0.014 0.000 0.790 31 A CB 0.456 19.428 19.000 -0.046 0.000 1.206 31 A HN 0.784 nan 8.150 nan 0.000 0.470 32 H N 1.179 120.214 119.070 -0.059 0.000 2.815 32 H HA 0.305 4.873 4.556 0.019 0.000 0.350 32 H C 1.034 176.410 175.328 0.080 0.000 1.080 32 H CA 0.252 56.278 56.048 -0.037 0.000 1.433 32 H CB 1.113 30.791 29.762 -0.140 0.000 1.432 32 H HN 0.869 nan 8.280 nan 0.000 0.592 33 A N 4.786 127.687 122.820 0.135 0.000 2.327 33 A HA 0.091 4.423 4.320 0.020 0.000 0.255 33 A C -1.290 176.214 177.584 -0.132 0.000 1.099 33 A CA -1.229 50.819 52.037 0.018 0.000 0.801 33 A CB -0.062 18.929 19.000 -0.016 0.000 1.062 33 A HN 0.570 nan 8.150 nan 0.000 0.496 34 P HA 0.023 nan 4.420 nan 0.000 0.226 34 P C -0.367 176.465 177.300 -0.781 0.000 1.153 34 P CA 1.134 63.690 63.100 -0.906 0.000 0.777 34 P CB -0.016 30.852 31.700 -1.388 0.000 0.794 35 F N -0.046 119.787 119.950 -0.195 0.000 2.551 35 F HA 0.470 5.008 4.527 0.020 0.000 0.316 35 F C 0.230 175.990 175.800 -0.067 0.000 1.089 35 F CA -1.422 56.455 58.000 -0.205 0.000 0.915 35 F CB 1.218 40.009 39.000 -0.348 0.000 1.186 35 F HN -0.258 nan 8.300 nan 0.000 0.456 36 F N -0.315 119.672 119.950 0.062 0.000 2.579 36 F HA 0.933 5.472 4.527 0.020 0.000 0.324 36 F C -0.491 175.359 175.800 0.083 0.000 1.058 36 F CA -1.020 56.981 58.000 0.002 0.000 0.944 36 F CB 1.467 40.411 39.000 -0.093 0.000 1.245 36 F HN 0.488 nan 8.300 nan 0.000 0.477 37 T N 0.202 114.778 114.554 0.036 0.000 2.916 37 T HA 0.875 5.237 4.350 0.020 0.000 0.292 37 T C -0.826 173.963 174.700 0.147 0.000 1.064 37 T CA -1.028 61.104 62.100 0.053 0.000 1.011 37 T CB 2.260 71.263 68.868 0.225 0.000 1.152 37 T HN 0.852 nan 8.240 nan 0.000 0.510 38 R N 0.993 121.567 120.500 0.124 0.000 2.734 38 R HA 0.501 4.853 4.340 0.020 0.000 0.271 38 R C -1.404 174.904 176.300 0.013 0.000 1.021 38 R CA -0.850 55.328 56.100 0.130 0.000 0.893 38 R CB 1.406 31.882 30.300 0.293 0.000 1.244 38 R HN 0.718 nan 8.270 nan 0.000 0.464 39 N N 1.217 119.916 118.700 -0.001 0.000 2.372 39 N HA 0.426 5.178 4.740 0.020 0.000 0.291 39 N C -0.594 174.893 175.510 -0.037 0.000 1.024 39 N CA -0.522 52.493 53.050 -0.060 0.000 0.873 39 N CB 1.751 40.200 38.487 -0.063 0.000 1.206 39 N HN 0.320 nan 8.380 nan 0.000 0.486 40 I N 2.254 122.778 120.570 -0.077 0.000 2.354 40 I HA 0.348 4.530 4.170 0.020 0.000 0.292 40 I C 0.152 176.225 176.117 -0.073 0.000 0.989 40 I CA -0.787 60.471 61.300 -0.070 0.000 1.188 40 I CB 1.332 39.269 38.000 -0.106 0.000 1.342 40 I HN 0.033 nan 8.210 nan 0.000 0.457 41 V N 7.442 127.326 119.914 -0.050 0.000 2.435 41 V HA 0.514 4.646 4.120 0.020 0.000 0.290 41 V C 0.127 176.193 176.094 -0.047 0.000 1.030 41 V CA -0.512 61.759 62.300 -0.047 0.000 0.881 41 V CB 2.223 34.030 31.823 -0.028 0.000 0.983 41 V HN 0.445 nan 8.190 nan 0.000 0.445 42 I N 6.037 126.577 120.570 -0.049 0.000 2.468 42 I HA 0.514 4.696 4.170 0.020 0.000 0.284 42 I C -0.816 175.283 176.117 -0.031 0.000 1.038 42 I CA -0.228 61.046 61.300 -0.044 0.000 1.083 42 I CB 1.672 39.640 38.000 -0.054 0.000 1.223 42 I HN 0.394 nan 8.210 nan 0.000 0.443 43 I N 5.885 126.443 120.570 -0.020 0.000 2.433 43 I HA 0.463 4.645 4.170 0.020 0.000 0.292 43 I C -0.299 175.816 176.117 -0.003 0.000 1.001 43 I CA -0.746 60.548 61.300 -0.010 0.000 1.119 43 I CB 2.130 40.129 38.000 -0.002 0.000 1.289 43 I HN 0.484 nan 8.210 nan 0.000 0.438 44 K N 3.630 124.028 120.400 -0.003 0.000 2.281 44 K HA 0.549 4.881 4.320 0.020 0.000 0.242 44 K C -1.431 175.168 176.600 -0.002 0.000 0.971 44 K CA -0.848 55.441 56.287 0.004 0.000 0.834 44 K CB 2.199 34.697 32.500 -0.003 0.000 1.181 44 K HN 0.660 nan 8.250 nan 0.000 0.435 45 D N -0.811 119.585 120.400 -0.006 0.000 2.523 45 D HA 0.063 4.715 4.640 0.020 0.000 0.236 45 D C 0.165 176.426 176.300 -0.066 0.000 1.094 45 D CA -0.806 53.174 54.000 -0.035 0.000 0.942 45 D CB 0.565 41.341 40.800 -0.039 0.000 1.447 45 D HN 0.438 nan 8.370 nan 0.000 0.479 46 N N -0.236 118.419 118.700 -0.075 0.000 2.627 46 N HA -0.134 4.618 4.740 0.020 0.000 0.196 46 N C 0.478 175.914 175.510 -0.123 0.000 1.268 46 N CA 0.613 53.613 53.050 -0.083 0.000 0.904 46 N CB -0.355 38.093 38.487 -0.065 0.000 1.016 46 N HN 0.370 nan 8.380 nan 0.000 0.448 47 S N -2.143 113.445 115.700 -0.186 0.000 2.554 47 S HA 0.366 4.848 4.470 0.020 0.000 0.226 47 S C 1.190 175.536 174.600 -0.424 0.000 0.980 47 S CA 0.156 58.174 58.200 -0.302 0.000 0.939 47 S CB -0.425 62.561 63.200 -0.357 0.000 0.832 47 S HN 0.499 nan 8.310 nan 0.000 0.486 48 G N 0.868 109.523 108.800 -0.241 0.000 2.136 48 G HA2 -0.210 3.761 3.960 0.020 0.000 0.242 48 G HA3 -0.210 3.761 3.960 0.020 0.000 0.242 48 G C -0.170 174.737 174.900 0.012 0.000 0.989 48 G CA 0.232 45.257 45.100 -0.125 0.000 0.682 48 G HN 0.750 nan 8.290 nan 0.000 0.522 49 H N -0.433 118.632 119.070 -0.009 0.000 2.533 49 H HA 0.679 5.247 4.556 0.020 0.000 0.343 49 H C -0.335 174.984 175.328 -0.016 0.000 1.160 49 H CA -0.395 55.648 56.048 -0.008 0.000 1.218 49 H CB 1.836 31.598 29.762 -0.001 0.000 1.566 49 H HN 0.139 nan 8.280 nan 0.000 0.522 50 T N 1.424 116.051 114.554 0.121 0.000 2.848 50 T HA 0.442 4.804 4.350 0.020 0.000 0.285 50 T C 0.018 174.723 174.700 0.008 0.000 0.995 50 T CA -0.862 61.263 62.100 0.042 0.000 0.970 50 T CB 1.512 70.390 68.868 0.018 0.000 0.976 50 T HN 0.767 nan 8.240 nan 0.000 0.441 51 G N 1.076 109.873 108.800 -0.005 0.000 2.481 51 G HA2 0.771 4.743 3.960 0.020 0.000 0.315 51 G HA3 0.771 4.743 3.960 0.020 0.000 0.315 51 G C -0.729 174.152 174.900 -0.033 0.000 1.231 51 G CA -0.796 44.288 45.100 -0.028 0.000 0.968 51 G HN 0.884 nan 8.290 nan 0.000 0.482 52 V N -1.326 118.561 119.914 -0.045 0.000 3.102 52 V HA 1.062 5.194 4.120 0.020 0.000 0.312 52 V C 0.114 176.183 176.094 -0.043 0.000 1.135 52 V CA -0.339 61.934 62.300 -0.045 0.000 1.022 52 V CB 1.634 33.425 31.823 -0.053 0.000 1.056 52 V HN 1.505 nan 8.190 nan 0.000 0.436 53 G N 0.467 109.248 108.800 -0.032 0.000 2.690 53 G HA2 0.702 4.674 3.960 0.020 0.000 0.291 53 G HA3 0.702 4.674 3.960 0.020 0.000 0.291 53 G C -1.847 173.058 174.900 0.007 0.000 1.403 53 G CA -0.515 44.576 45.100 -0.013 0.000 0.864 53 G HN 1.108 nan 8.290 nan 0.000 0.480 54 E N -0.423 119.810 120.200 0.055 0.000 2.290 54 E HA 0.627 4.989 4.350 0.020 0.000 0.274 54 E C -0.929 175.776 176.600 0.176 0.000 0.889 54 E CA -0.737 55.726 56.400 0.105 0.000 0.760 54 E CB 2.122 31.911 29.700 0.149 0.000 1.206 54 E HN 0.668 nan 8.360 nan 0.000 0.419 55 I N -0.695 119.945 120.570 0.116 0.000 3.352 55 I HA 0.604 4.786 4.170 0.020 0.000 0.316 55 I C -2.715 173.382 176.117 -0.033 0.000 1.214 55 I CA -3.131 58.217 61.300 0.081 0.000 0.934 55 I CB 1.724 39.744 38.000 0.034 0.000 1.310 55 I HN 0.261 nan 8.210 nan 0.000 0.475 56 P HA 0.116 nan 4.420 nan 0.000 0.266 56 P C -0.032 177.231 177.300 -0.061 0.000 1.193 56 P CA 0.237 63.234 63.100 -0.171 0.000 0.770 56 P CB 0.351 31.819 31.700 -0.387 0.000 0.836 57 G N 0.815 109.628 108.800 0.021 0.000 2.616 57 G HA2 0.544 4.516 3.960 0.020 0.000 0.268 57 G HA3 0.544 4.516 3.960 0.020 0.000 0.268 57 G C -0.124 174.817 174.900 0.068 0.000 1.213 57 G CA -0.113 45.022 45.100 0.059 0.000 0.926 57 G HN 0.806 nan 8.290 nan 0.000 0.523 58 G N -0.983 107.883 108.800 0.110 0.000 2.521 58 G HA2 0.198 4.170 3.960 0.020 0.000 0.589 58 G HA3 0.198 4.170 3.960 0.020 0.000 0.589 58 G C 0.161 175.114 174.900 0.089 0.000 1.501 58 G CA 0.506 45.667 45.100 0.101 0.000 0.887 58 G HN 0.828 nan 8.290 nan 0.000 0.654 59 E N 1.084 121.345 120.200 0.101 0.000 2.153 59 E HA -0.074 4.288 4.350 0.020 0.000 0.194 59 E C 2.669 179.287 176.600 0.030 0.000 0.988 59 E CA 3.019 59.465 56.400 0.076 0.000 0.811 59 E CB -0.064 29.681 29.700 0.075 0.000 0.746 59 E HN 1.051 nan 8.360 nan 0.000 0.466 60 K N 0.704 121.119 120.400 0.026 0.000 2.057 60 K HA -0.075 4.257 4.320 0.020 0.000 0.207 60 K C 2.221 178.809 176.600 -0.020 0.000 1.049 60 K CA 1.643 57.934 56.287 0.006 0.000 0.931 60 K CB -1.034 31.475 32.500 0.014 0.000 0.714 60 K HN 0.300 nan 8.250 nan 0.000 0.440 61 I N -0.072 120.493 120.570 -0.007 0.000 2.202 61 I HA -0.216 3.966 4.170 0.020 0.000 0.242 61 I C 2.918 178.999 176.117 -0.061 0.000 1.091 61 I CA 1.324 62.608 61.300 -0.028 0.000 1.368 61 I CB -0.122 37.880 38.000 0.004 0.000 1.058 61 I HN 0.346 nan 8.210 nan 0.000 0.410 62 R N 1.147 121.623 120.500 -0.041 0.000 2.083 62 R HA -0.264 4.088 4.340 0.020 0.000 0.237 62 R C 2.330 178.589 176.300 -0.067 0.000 1.137 62 R CA 1.895 57.962 56.100 -0.056 0.000 0.951 62 R CB -0.156 30.121 30.300 -0.039 0.000 0.851 62 R HN 0.059 nan 8.270 nan 0.000 0.434 63 K N 0.067 120.435 120.400 -0.053 0.000 2.057 63 K HA -0.068 4.264 4.320 0.020 0.000 0.207 63 K C 1.826 178.357 176.600 -0.115 0.000 1.049 63 K CA 2.298 58.552 56.287 -0.055 0.000 0.931 63 K CB -0.582 31.903 32.500 -0.024 0.000 0.714 63 K HN 0.216 nan 8.250 nan 0.000 0.440 64 T N 1.334 115.778 114.554 -0.182 0.000 2.708 64 T HA -0.123 4.239 4.350 0.020 0.000 0.266 64 T C 1.879 176.325 174.700 -0.424 0.000 1.037 64 T CA 1.562 63.419 62.100 -0.404 0.000 1.146 64 T CB -0.303 68.314 68.868 -0.419 0.000 0.865 64 T HN 0.113 nan 8.240 nan 0.000 0.435 65 L N 0.600 121.675 121.223 -0.248 0.000 2.083 65 L HA -0.104 4.247 4.340 0.020 0.000 0.209 65 L C 2.885 179.678 176.870 -0.128 0.000 1.083 65 L CA 1.420 56.153 54.840 -0.178 0.000 0.752 65 L CB -0.421 41.572 42.059 -0.110 0.000 0.899 65 L HN 0.342 nan 8.230 nan 0.000 0.433 66 E N 0.021 120.158 120.200 -0.105 0.000 2.051 66 E HA -0.256 4.106 4.350 0.020 0.000 0.192 66 E C 1.575 178.156 176.600 -0.031 0.000 0.991 66 E CA 1.537 57.902 56.400 -0.058 0.000 0.799 66 E CB 0.104 29.778 29.700 -0.043 0.000 0.748 66 E HN 0.452 nan 8.360 nan 0.000 0.449 67 D N 0.033 120.405 120.400 -0.047 0.000 2.218 67 D HA -0.123 4.529 4.640 0.020 0.000 0.204 67 D C 1.654 178.039 176.300 0.142 0.000 0.976 67 D CA 1.056 55.090 54.000 0.057 0.000 0.853 67 D CB -0.184 40.691 40.800 0.124 0.000 0.939 67 D HN 0.267 nan 8.370 nan 0.000 0.481 68 A N 0.583 123.421 122.820 0.030 0.000 2.121 68 A HA -0.083 4.249 4.320 0.020 0.000 0.218 68 A C 2.249 179.894 177.584 0.101 0.000 1.154 68 A CA 0.293 52.411 52.037 0.135 0.000 0.679 68 A CB -0.585 18.416 19.000 0.002 0.000 0.795 68 A HN 0.182 nan 8.150 nan 0.000 0.458 69 I N 0.491 121.090 120.570 0.048 0.000 2.113 69 I HA -0.270 3.911 4.170 0.020 0.000 0.242 69 I C -0.453 175.690 176.117 0.043 0.000 1.057 69 I CA 2.024 63.344 61.300 0.033 0.000 1.314 69 I CB -1.306 36.701 38.000 0.011 0.000 1.022 69 I HN 0.247 nan 8.210 nan 0.000 0.408 70 P HA -0.134 nan 4.420 nan 0.000 0.220 70 P C 1.777 179.104 177.300 0.045 0.000 1.148 70 P CA 1.430 64.555 63.100 0.043 0.000 0.803 70 P CB -0.120 31.605 31.700 0.042 0.000 0.782 71 L N -1.843 119.421 121.223 0.069 0.000 2.291 71 L HA -0.051 4.301 4.340 0.020 0.000 0.214 71 L C 2.111 179.013 176.870 0.053 0.000 1.120 71 L CA 0.834 55.712 54.840 0.063 0.000 0.799 71 L CB -0.481 41.639 42.059 0.101 0.000 0.925 71 L HN -0.106 nan 8.230 nan 0.000 0.446 72 V N -1.708 118.236 119.914 0.051 0.000 2.627 72 V HA 0.054 4.186 4.120 0.020 0.000 0.239 72 V C 1.211 177.323 176.094 0.030 0.000 1.077 72 V CA -0.032 62.294 62.300 0.044 0.000 1.103 72 V CB 0.534 32.383 31.823 0.043 0.000 0.802 72 V HN -0.062 nan 8.190 nan 0.000 0.482 73 V N 1.838 121.765 119.914 0.023 0.000 2.814 73 V HA 0.321 4.453 4.120 0.020 0.000 0.307 73 V C 1.585 177.686 176.094 0.010 0.000 1.089 73 V CA 1.712 64.019 62.300 0.013 0.000 1.212 73 V CB -0.012 31.816 31.823 0.008 0.000 0.912 73 V HN 0.824 nan 8.190 nan 0.000 0.497 74 G N 3.372 112.175 108.800 0.004 0.000 2.184 74 G HA2 -0.216 3.756 3.960 0.020 0.000 0.264 74 G HA3 -0.216 3.756 3.960 0.020 0.000 0.264 74 G C 0.277 175.179 174.900 0.003 0.000 0.975 74 G CA 0.170 45.270 45.100 0.001 0.000 0.642 74 G HN 0.547 nan 8.290 nan 0.000 0.536 75 K N 1.371 121.777 120.400 0.011 0.000 2.118 75 K HA 0.556 4.888 4.320 0.020 0.000 0.264 75 K C 0.954 177.562 176.600 0.013 0.000 1.000 75 K CA 0.356 56.654 56.287 0.017 0.000 0.929 75 K CB 1.060 33.578 32.500 0.031 0.000 1.021 75 K HN 0.477 nan 8.250 nan 0.000 0.463 76 T N -1.595 112.969 114.554 0.016 0.000 2.918 76 T HA 0.278 4.640 4.350 0.020 0.000 0.283 76 T C 1.799 176.519 174.700 0.034 0.000 1.001 76 T CA -0.779 61.325 62.100 0.005 0.000 1.041 76 T CB 0.532 69.400 68.868 0.000 0.000 1.028 76 T HN 0.421 nan 8.240 nan 0.000 0.511 77 L N 1.448 122.676 121.223 0.008 0.000 2.127 77 L HA 0.007 4.359 4.340 0.020 0.000 0.211 77 L C 2.946 179.903 176.870 0.146 0.000 1.089 77 L CA 1.626 56.490 54.840 0.041 0.000 0.757 77 L CB -1.190 40.853 42.059 -0.028 0.000 0.899 77 L HN 0.993 nan 8.230 nan 0.000 0.434 78 G N -0.038 108.836 108.800 0.122 0.000 2.470 78 G HA2 -0.190 3.782 3.960 0.020 0.000 0.220 78 G HA3 -0.190 3.782 3.960 0.020 0.000 0.220 78 G C 1.255 176.275 174.900 0.200 0.000 1.121 78 G CA 0.286 45.496 45.100 0.184 0.000 0.766 78 G HN 0.525 nan 8.290 nan 0.000 0.553 79 E N 0.046 120.331 120.200 0.142 0.000 2.465 79 E HA 0.038 4.400 4.350 0.020 0.000 0.191 79 E C 1.642 178.275 176.600 0.055 0.000 1.053 79 E CA -0.187 56.254 56.400 0.069 0.000 0.869 79 E CB -0.235 29.489 29.700 0.040 0.000 0.977 79 E HN 0.807 nan 8.360 nan 0.000 0.483 80 Y N 1.740 122.049 120.300 0.016 0.000 2.132 80 Y HA -0.315 4.247 4.550 0.020 0.000 0.280 80 Y C 1.798 177.713 175.900 0.024 0.000 1.193 80 Y CA 1.424 59.536 58.100 0.020 0.000 1.157 80 Y CB -0.401 38.071 38.460 0.020 0.000 0.966 80 Y HN -0.171 nan 8.280 nan 0.000 0.511 81 K N 0.254 120.123 120.400 -0.885 0.000 2.057 81 K HA -0.136 4.196 4.320 0.020 0.000 0.206 81 K C 1.793 178.249 176.600 -0.239 0.000 1.050 81 K CA 1.387 57.308 56.287 -0.611 0.000 0.935 81 K CB -0.263 31.871 32.500 -0.609 0.000 0.715 81 K HN 0.371 nan 8.250 nan 0.000 0.439 82 N N 0.781 119.379 118.700 -0.172 0.000 2.142 82 N HA -0.118 4.634 4.740 0.020 0.000 0.186 82 N C 1.909 177.394 175.510 -0.042 0.000 1.023 82 N CA 0.876 53.877 53.050 -0.082 0.000 0.852 82 N CB -0.436 38.018 38.487 -0.055 0.000 0.998 82 N HN -0.070 nan 8.380 nan 0.000 0.424 83 V N 1.885 121.785 119.914 -0.023 0.000 2.287 83 V HA -0.196 3.936 4.120 0.020 0.000 0.248 83 V C 2.364 178.475 176.094 0.028 0.000 1.053 83 V CA 1.298 63.609 62.300 0.017 0.000 1.027 83 V CB -0.578 31.273 31.823 0.047 0.000 0.646 83 V HN 0.242 nan 8.190 nan 0.000 0.447 84 L N -0.572 120.660 121.223 0.015 0.000 2.083 84 L HA -0.173 4.179 4.340 0.020 0.000 0.209 84 L C 2.568 179.457 176.870 0.031 0.000 1.083 84 L CA 1.868 56.729 54.840 0.035 0.000 0.752 84 L CB -0.989 41.090 42.059 0.033 0.000 0.899 84 L HN 0.327 nan 8.230 nan 0.000 0.433 85 T N 0.069 114.622 114.554 -0.001 0.000 2.904 85 T HA -0.124 4.238 4.350 0.020 0.000 0.267 85 T C 1.791 176.496 174.700 0.009 0.000 1.059 85 T CA 0.968 63.069 62.100 0.001 0.000 1.137 85 T CB -0.093 68.763 68.868 -0.021 0.000 0.879 85 T HN 0.121 nan 8.240 nan 0.000 0.467 86 L N 1.332 122.560 121.223 0.008 0.000 1.994 86 L HA -0.025 4.327 4.340 0.020 0.000 0.208 86 L C 2.436 179.321 176.870 0.025 0.000 1.071 86 L CA 1.625 56.467 54.840 0.003 0.000 0.745 86 L CB -0.903 41.158 42.059 0.004 0.000 0.892 86 L HN 0.047 nan 8.230 nan 0.000 0.431 87 V N 0.413 120.378 119.914 0.085 0.000 2.282 87 V HA -0.349 3.783 4.120 0.020 0.000 0.249 87 V C 2.843 179.065 176.094 0.215 0.000 1.057 87 V CA 2.306 64.725 62.300 0.200 0.000 1.032 87 V CB -0.887 31.059 31.823 0.205 0.000 0.645 87 V HN 0.545 nan 8.190 nan 0.000 0.447 88 R N 0.032 120.609 120.500 0.127 0.000 2.091 88 R HA -0.194 4.157 4.340 0.020 0.000 0.238 88 R C 2.213 178.552 176.300 0.066 0.000 1.136 88 R CA 2.004 58.169 56.100 0.107 0.000 0.959 88 R CB -0.326 30.014 30.300 0.067 0.000 0.856 88 R HN 0.557 nan 8.270 nan 0.000 0.437 89 N N -0.273 118.437 118.700 0.016 0.000 2.106 89 N HA -0.097 4.655 4.740 0.020 0.000 0.188 89 N C 1.685 177.130 175.510 -0.108 0.000 1.029 89 N CA 1.912 54.944 53.050 -0.031 0.000 0.848 89 N CB -0.718 37.745 38.487 -0.039 0.000 1.007 89 N HN 0.200 nan 8.380 nan 0.000 0.423 90 T N 0.425 114.854 114.554 -0.210 0.000 2.759 90 T HA -0.089 4.273 4.350 0.020 0.000 0.269 90 T C 0.947 175.224 174.700 -0.704 0.000 1.042 90 T CA 1.035 62.828 62.100 -0.512 0.000 1.140 90 T CB -0.277 68.141 68.868 -0.749 0.000 0.864 90 T HN 0.193 nan 8.240 nan 0.000 0.455 91 F N 0.967 120.916 119.950 -0.002 0.000 2.639 91 F HA 0.655 5.194 4.527 0.019 0.000 0.300 91 F C 0.845 176.641 175.800 -0.006 0.000 1.109 91 F CA -0.851 57.148 58.000 -0.003 0.000 1.335 91 F CB -0.124 38.874 39.000 -0.002 0.000 1.014 91 F HN 0.121 nan 8.300 nan 0.000 0.537 108 T N 0.474 114.918 114.554 -0.183 0.000 2.567 108 T HA -0.267 4.095 4.350 0.020 0.000 0.261 108 T C 2.083 176.718 174.700 -0.108 0.000 1.123 108 T CA 2.733 64.772 62.100 -0.101 0.000 1.166 108 T CB -0.146 68.704 68.868 -0.030 0.000 0.860 108 T HN 0.752 nan 8.240 nan 0.000 0.436 109 T N 1.552 116.058 114.554 -0.080 0.000 2.652 109 T HA -0.080 4.282 4.350 0.020 0.000 0.267 109 T C 1.955 176.627 174.700 -0.047 0.000 1.039 109 T CA 1.185 63.267 62.100 -0.030 0.000 1.153 109 T CB -0.524 68.371 68.868 0.045 0.000 0.863 109 T HN 0.140 nan 8.240 nan 0.000 0.428 110 I N 0.918 121.420 120.570 -0.113 0.000 2.194 110 I HA -0.214 3.968 4.170 0.020 0.000 0.246 110 I C 2.303 178.387 176.117 -0.055 0.000 1.093 110 I CA 1.484 62.724 61.300 -0.101 0.000 1.355 110 I CB -0.450 37.466 38.000 -0.141 0.000 1.046 110 I HN 0.306 nan 8.210 nan 0.000 0.413 111 H N -0.602 118.394 119.070 -0.123 0.000 2.352 111 H HA -0.085 4.483 4.556 0.020 0.000 0.299 111 H C 2.496 177.785 175.328 -0.065 0.000 1.097 111 H CA 1.785 57.755 56.048 -0.129 0.000 1.311 111 H CB -0.848 28.807 29.762 -0.179 0.000 1.377 111 H HN 0.194 nan 8.280 nan 0.000 0.504 112 V N 0.285 120.232 119.914 0.055 0.000 2.343 112 V HA -0.205 3.927 4.120 0.020 0.000 0.247 112 V C 2.754 178.858 176.094 0.016 0.000 1.051 112 V CA 1.363 63.660 62.300 -0.005 0.000 1.036 112 V CB -0.664 31.102 31.823 -0.094 0.000 0.654 112 V HN 0.186 nan 8.190 nan 0.000 0.451 113 V N -0.113 119.821 119.914 0.034 0.000 2.287 113 V HA -0.303 3.829 4.120 0.020 0.000 0.248 113 V C 2.580 178.713 176.094 0.065 0.000 1.053 113 V CA 2.728 65.061 62.300 0.056 0.000 1.027 113 V CB -1.055 30.808 31.823 0.066 0.000 0.646 113 V HN 0.630 nan 8.190 nan 0.000 0.447 114 T N 0.273 114.870 114.554 0.072 0.000 2.720 114 T HA -0.160 4.202 4.350 0.020 0.000 0.268 114 T C 1.863 176.593 174.700 0.051 0.000 1.037 114 T CA 1.610 63.754 62.100 0.072 0.000 1.144 114 T CB -0.679 68.242 68.868 0.088 0.000 0.864 114 T HN 0.639 nan 8.240 nan 0.000 0.444 115 G N 0.898 109.727 108.800 0.048 0.000 2.408 115 G HA2 -0.092 3.880 3.960 0.020 0.000 0.217 115 G HA3 -0.092 3.880 3.960 0.020 0.000 0.217 115 G C 1.523 176.437 174.900 0.022 0.000 1.150 115 G CA 0.334 45.453 45.100 0.031 0.000 0.776 115 G HN 0.491 nan 8.290 nan 0.000 0.542 116 I N 0.173 120.761 120.570 0.030 0.000 2.353 116 I HA -0.074 4.108 4.170 0.020 0.000 0.248 116 I C 2.608 178.758 176.117 0.056 0.000 1.119 116 I CA 1.022 62.344 61.300 0.037 0.000 1.417 116 I CB -0.156 37.872 38.000 0.046 0.000 1.078 116 I HN 0.280 nan 8.210 nan 0.000 0.421 117 E N 1.551 121.794 120.200 0.071 0.000 2.038 117 E HA -0.293 4.069 4.350 0.020 0.000 0.195 117 E C 2.278 178.912 176.600 0.057 0.000 1.000 117 E CA 1.655 58.114 56.400 0.098 0.000 0.803 117 E CB -0.036 29.726 29.700 0.103 0.000 0.750 117 E HN 0.471 nan 8.360 nan 0.000 0.448 118 A N 1.295 124.130 122.820 0.024 0.000 1.865 118 A HA -0.177 4.155 4.320 0.020 0.000 0.217 118 A C 2.442 180.008 177.584 -0.030 0.000 1.191 118 A CA 2.345 54.374 52.037 -0.013 0.000 0.623 118 A CB -1.005 17.979 19.000 -0.026 0.000 0.826 118 A HN 0.448 nan 8.150 nan 0.000 0.444 119 A N -1.483 121.326 122.820 -0.017 0.000 1.933 119 A HA -0.085 4.247 4.320 0.020 0.000 0.218 119 A C 2.159 179.728 177.584 -0.024 0.000 1.175 119 A CA 1.956 53.979 52.037 -0.024 0.000 0.628 119 A CB -0.437 18.554 19.000 -0.014 0.000 0.814 119 A HN 0.434 nan 8.150 nan 0.000 0.444 120 M N -0.556 119.042 119.600 -0.004 0.000 2.156 120 M HA 0.033 4.525 4.480 0.020 0.000 0.264 120 M C 2.112 178.349 176.300 -0.105 0.000 1.067 120 M CA 1.140 56.434 55.300 -0.010 0.000 1.131 120 M CB -1.300 31.348 32.600 0.081 0.000 1.368 120 M HN 0.391 nan 8.290 nan 0.000 0.416 121 L N -0.315 120.839 121.223 -0.115 0.000 2.093 121 L HA -0.227 4.125 4.340 0.020 0.000 0.208 121 L C 2.264 179.039 176.870 -0.160 0.000 1.085 121 L CA 1.046 55.774 54.840 -0.186 0.000 0.755 121 L CB -0.648 41.340 42.059 -0.118 0.000 0.904 121 L HN 0.262 nan 8.230 nan 0.000 0.435 122 D N 0.493 120.821 120.400 -0.120 0.000 2.092 122 D HA -0.186 4.466 4.640 0.020 0.000 0.193 122 D C 2.315 178.558 176.300 -0.094 0.000 0.994 122 D CA 1.443 55.373 54.000 -0.117 0.000 0.828 122 D CB -0.045 40.701 40.800 -0.090 0.000 0.963 122 D HN 0.188 nan 8.370 nan 0.000 0.450 123 L N -0.052 121.135 121.223 -0.060 0.000 2.046 123 L HA -0.157 4.195 4.340 0.020 0.000 0.208 123 L C 2.622 179.495 176.870 0.004 0.000 1.077 123 L CA 0.562 55.397 54.840 -0.009 0.000 0.747 123 L CB -0.380 41.687 42.059 0.013 0.000 0.896 123 L HN 0.152 nan 8.230 nan 0.000 0.432 124 L N 0.028 121.210 121.223 -0.068 0.000 2.056 124 L HA -0.053 4.299 4.340 0.020 0.000 0.207 124 L C 2.353 179.200 176.870 -0.038 0.000 1.078 124 L CA 1.986 56.785 54.840 -0.067 0.000 0.749 124 L CB -0.888 41.009 42.059 -0.270 0.000 0.901 124 L HN 0.120 nan 8.230 nan 0.000 0.433 125 G N -1.413 107.330 108.800 -0.095 0.000 2.418 125 G HA2 -0.272 3.700 3.960 0.020 0.000 0.217 125 G HA3 -0.272 3.700 3.960 0.020 0.000 0.217 125 G C 1.456 176.311 174.900 -0.075 0.000 1.158 125 G CA 0.785 45.827 45.100 -0.095 0.000 0.771 125 G HN 0.530 nan 8.290 nan 0.000 0.545 126 Q N -0.745 119.007 119.800 -0.080 0.000 2.050 126 Q HA -0.158 4.194 4.340 0.020 0.000 0.202 126 Q C 2.329 178.328 176.000 -0.002 0.000 0.980 126 Q CA 1.547 57.272 55.803 -0.130 0.000 0.840 126 Q CB -0.253 28.312 28.738 -0.289 0.000 0.898 126 Q HN 0.707 nan 8.270 nan 0.000 0.424 127 H N 0.596 119.688 119.070 0.036 0.000 2.353 127 H HA -0.037 4.531 4.556 0.020 0.000 0.300 127 H C 1.569 176.928 175.328 0.052 0.000 1.090 127 H CA 1.376 57.485 56.048 0.103 0.000 1.327 127 H CB -0.095 29.714 29.762 0.079 0.000 1.383 127 H HN 0.112 nan 8.280 nan 0.000 0.508 128 L N -0.693 120.448 121.223 -0.137 0.000 2.554 128 L HA 0.156 4.508 4.340 0.020 0.000 0.226 128 L C 1.558 178.358 176.870 -0.116 0.000 1.137 128 L CA 0.521 55.255 54.840 -0.176 0.000 0.863 128 L CB -0.127 41.885 42.059 -0.079 0.000 0.985 128 L HN 0.639 nan 8.230 nan 0.000 0.451 129 G N 1.110 109.856 108.800 -0.091 0.000 2.160 129 G HA2 -0.244 3.728 3.960 0.020 0.000 0.251 129 G HA3 -0.244 3.728 3.960 0.020 0.000 0.251 129 G C 0.146 175.015 174.900 -0.053 0.000 1.008 129 G CA 0.381 45.442 45.100 -0.066 0.000 0.724 129 G HN 0.319 nan 8.290 nan 0.000 0.514 130 V N -2.708 117.173 119.914 -0.055 0.000 3.074 130 V HA 0.819 4.951 4.120 0.020 0.000 0.314 130 V C 0.318 176.383 176.094 -0.047 0.000 1.117 130 V CA -1.001 61.275 62.300 -0.041 0.000 1.014 130 V CB 1.692 33.494 31.823 -0.034 0.000 1.057 130 V HN 0.645 nan 8.190 nan 0.000 0.438 131 N N 0.752 119.440 118.700 -0.019 0.000 2.424 131 N HA 0.284 5.035 4.740 0.020 0.000 0.257 131 N C 0.727 176.196 175.510 -0.069 0.000 1.250 131 N CA -0.450 52.590 53.050 -0.016 0.000 0.946 131 N CB 1.733 40.294 38.487 0.125 0.000 1.175 131 N HN 0.438 nan 8.380 nan 0.000 0.477 132 V N 0.960 120.717 119.914 -0.262 0.000 2.332 132 V HA -0.286 3.846 4.120 0.020 0.000 0.248 132 V C 2.638 178.724 176.094 -0.013 0.000 1.055 132 V CA 2.366 64.517 62.300 -0.247 0.000 1.038 132 V CB -1.344 30.206 31.823 -0.455 0.000 0.651 132 V HN 0.921 nan 8.190 nan 0.000 0.450 133 A N -0.321 122.641 122.820 0.236 0.000 1.986 133 A HA -0.252 4.080 4.320 0.020 0.000 0.220 133 A C 2.422 180.040 177.584 0.058 0.000 1.171 133 A CA 2.362 54.502 52.037 0.172 0.000 0.640 133 A CB -0.665 18.441 19.000 0.175 0.000 0.811 133 A HN 0.542 nan 8.150 nan 0.000 0.451 134 S N -0.559 115.166 115.700 0.041 0.000 2.447 134 S HA 0.053 4.535 4.470 0.020 0.000 0.233 134 S C 1.456 176.054 174.600 -0.002 0.000 1.006 134 S CA 0.955 59.160 58.200 0.008 0.000 0.957 134 S CB -0.236 62.964 63.200 -0.000 0.000 0.773 134 S HN 0.538 nan 8.310 nan 0.000 0.507 135 L N 0.602 121.820 121.223 -0.009 0.000 2.567 135 L HA 0.277 4.629 4.340 0.020 0.000 0.225 135 L C 0.064 176.945 176.870 0.018 0.000 1.119 135 L CA 0.246 55.080 54.840 -0.010 0.000 0.871 135 L CB -0.079 41.947 42.059 -0.056 0.000 1.036 135 L HN 0.178 nan 8.230 nan 0.000 0.459 136 L N -1.237 119.995 121.223 0.015 0.000 2.344 136 L HA 0.553 4.905 4.340 0.020 0.000 0.272 136 L C 1.384 178.252 176.870 -0.003 0.000 1.035 136 L CA -0.285 54.567 54.840 0.020 0.000 0.807 136 L CB 1.189 43.257 42.059 0.015 0.000 1.237 136 L HN 0.150 nan 8.230 nan 0.000 0.442 137 G N 1.480 110.277 108.800 -0.005 0.000 2.702 137 G HA2 -0.344 3.628 3.960 0.020 0.000 0.342 137 G HA3 -0.344 3.628 3.960 0.020 0.000 0.342 137 G C 0.335 175.220 174.900 -0.024 0.000 1.258 137 G CA 0.690 45.773 45.100 -0.027 0.000 0.990 137 G HN 0.750 nan 8.290 nan 0.000 0.548 138 D N 2.999 123.375 120.400 -0.040 0.000 2.491 138 D HA 0.472 5.124 4.640 0.020 0.000 0.228 138 D C 1.242 177.524 176.300 -0.030 0.000 1.183 138 D CA 1.609 55.590 54.000 -0.030 0.000 0.827 138 D CB -0.153 40.628 40.800 -0.032 0.000 0.989 138 D HN 1.464 nan 8.370 nan 0.000 0.494 139 G N 1.153 109.937 108.800 -0.027 0.000 2.685 139 G HA2 -0.236 3.736 3.960 0.020 0.000 0.387 139 G HA3 -0.236 3.736 3.960 0.020 0.000 0.387 139 G C -0.330 174.551 174.900 -0.031 0.000 1.324 139 G CA -0.876 44.212 45.100 -0.021 0.000 0.878 139 G HN 0.280 nan 8.290 nan 0.000 0.527 140 Q N -0.114 119.674 119.800 -0.021 0.000 2.300 140 Q HA 0.309 4.661 4.340 0.020 0.000 0.280 140 Q C 1.076 177.049 176.000 -0.046 0.000 1.033 140 Q CA 0.381 56.169 55.803 -0.026 0.000 0.903 140 Q CB 0.386 29.117 28.738 -0.012 0.000 1.195 140 Q HN 0.521 nan 8.270 nan 0.000 0.386 141 Q N 2.908 122.670 119.800 -0.064 0.000 2.353 141 Q HA 0.139 4.491 4.340 0.020 0.000 0.240 141 Q C -0.096 175.864 176.000 -0.066 0.000 0.868 141 Q CA 0.606 56.362 55.803 -0.078 0.000 0.944 141 Q CB 0.927 29.593 28.738 -0.120 0.000 1.104 141 Q HN 0.685 nan 8.270 nan 0.000 0.531 142 R N -0.936 119.530 120.500 -0.056 0.000 2.764 142 R HA 0.502 4.854 4.340 0.020 0.000 0.270 142 R C 0.250 176.523 176.300 -0.045 0.000 1.014 142 R CA -0.119 55.954 56.100 -0.045 0.000 0.904 142 R CB 0.538 30.816 30.300 -0.037 0.000 1.236 142 R HN -0.106 nan 8.270 nan 0.000 0.466 143 S N -1.437 114.237 115.700 -0.043 0.000 2.523 143 S HA 0.078 4.560 4.470 0.020 0.000 0.217 143 S C -0.082 174.480 174.600 -0.064 0.000 0.996 143 S CA -0.149 58.019 58.200 -0.055 0.000 0.921 143 S CB -0.210 62.961 63.200 -0.049 0.000 0.829 143 S HN 0.690 nan 8.310 nan 0.000 0.495 144 E N -0.038 120.135 120.200 -0.044 0.000 2.366 144 E HA 0.650 5.012 4.350 0.020 0.000 0.278 144 E C -1.790 174.809 176.600 -0.001 0.000 0.923 144 E CA -1.151 55.228 56.400 -0.035 0.000 0.761 144 E CB 1.963 31.644 29.700 -0.031 0.000 1.231 144 E HN -0.028 nan 8.360 nan 0.000 0.443 145 V N 1.524 121.453 119.914 0.025 0.000 2.495 145 V HA 0.284 4.416 4.120 0.020 0.000 0.298 145 V C -0.271 175.875 176.094 0.087 0.000 1.031 145 V CA -0.753 61.591 62.300 0.074 0.000 0.871 145 V CB 1.514 33.411 31.823 0.123 0.000 0.988 145 V HN 0.792 nan 8.190 nan 0.000 0.432 146 E N 4.525 124.775 120.200 0.085 0.000 2.259 146 E HA 0.477 4.839 4.350 0.020 0.000 0.281 146 E C -0.790 175.870 176.600 0.099 0.000 1.037 146 E CA -0.244 56.202 56.400 0.076 0.000 0.854 146 E CB 0.781 30.515 29.700 0.056 0.000 1.051 146 E HN 0.577 nan 8.360 nan 0.000 0.409 147 M N 4.223 123.901 119.600 0.131 0.000 2.598 147 M HA 0.339 4.831 4.480 0.020 0.000 0.317 147 M C -0.866 175.508 176.300 0.123 0.000 1.179 147 M CA -1.286 54.106 55.300 0.154 0.000 0.936 147 M CB 1.453 34.213 32.600 0.267 0.000 1.713 147 M HN 0.427 nan 8.290 nan 0.000 0.460 148 L N -0.174 120.979 121.223 -0.116 0.000 2.358 148 L HA 0.960 5.311 4.340 0.020 0.000 0.268 148 L C 0.208 176.406 176.870 -1.122 0.000 1.032 148 L CA -0.487 54.066 54.840 -0.478 0.000 0.805 148 L CB 0.359 42.158 42.059 -0.432 0.000 1.253 148 L HN 0.675 nan 8.230 nan 0.000 0.452 149 G N -0.268 107.512 108.800 -1.700 0.000 2.350 149 G HA2 0.334 4.306 3.960 0.020 0.000 0.306 149 G HA3 0.334 4.306 3.960 0.020 0.000 0.306 149 G C -1.249 173.327 174.900 -0.539 0.000 1.094 149 G CA -0.206 43.837 45.100 -1.761 0.000 0.953 149 G HN 0.516 nan 8.290 nan 0.000 0.420 150 Y N 4.113 124.197 120.300 -0.360 0.000 2.613 150 Y HA 0.301 4.863 4.550 0.020 0.000 0.354 150 Y C 0.674 176.718 175.900 0.241 0.000 1.063 150 Y CA -0.982 57.084 58.100 -0.057 0.000 1.384 150 Y CB 0.074 38.556 38.460 0.037 0.000 1.199 150 Y HN 0.288 nan 8.280 nan 0.000 0.517 151 L N 5.193 126.639 121.223 0.372 0.000 2.399 151 L HA 0.424 4.776 4.340 0.020 0.000 0.266 151 L C -0.678 176.278 176.870 0.144 0.000 1.114 151 L CA -0.360 54.697 54.840 0.362 0.000 0.804 151 L CB 0.801 42.893 42.059 0.055 0.000 1.146 151 L HN 0.368 nan 8.230 nan 0.000 0.451 152 F N -0.153 119.887 119.950 0.150 0.000 2.626 152 F HA 0.443 4.982 4.527 0.020 0.000 0.311 152 F C -0.274 175.418 175.800 -0.180 0.000 1.088 152 F CA -0.553 57.373 58.000 -0.125 0.000 0.949 152 F CB 1.745 40.513 39.000 -0.386 0.000 1.322 152 F HN 0.084 nan 8.300 nan 0.000 0.461 153 F N 1.846 121.880 119.950 0.140 0.000 2.443 153 F HA 0.472 5.010 4.527 0.019 0.000 0.353 153 F C 0.074 175.887 175.800 0.022 0.000 1.101 153 F CA -0.530 57.516 58.000 0.077 0.000 1.226 153 F CB 0.750 39.773 39.000 0.038 0.000 1.140 153 F HN -0.081 nan 8.300 nan 0.000 0.557 154 V N 3.260 123.275 119.914 0.170 0.000 2.417 154 V HA 0.570 4.702 4.120 0.020 0.000 0.291 154 V C 0.544 176.624 176.094 -0.022 0.000 1.024 154 V CA -0.997 61.303 62.300 -0.001 0.000 0.861 154 V CB 1.097 32.913 31.823 -0.011 0.000 0.985 154 V HN 0.915 nan 8.190 nan 0.000 0.436 155 G N 2.159 110.893 108.800 -0.110 0.000 2.634 155 G HA2 0.172 4.144 3.960 0.020 0.000 0.255 155 G HA3 0.172 4.144 3.960 0.020 0.000 0.255 155 G C 0.034 174.836 174.900 -0.162 0.000 1.205 155 G CA -0.419 44.607 45.100 -0.124 0.000 0.884 155 G HN 0.696 nan 8.290 nan 0.000 0.549 156 N N -0.108 118.515 118.700 -0.129 0.000 2.448 156 N HA 0.002 4.754 4.740 0.020 0.000 0.250 156 N C 1.930 177.332 175.510 -0.180 0.000 1.136 156 N CA -0.478 52.498 53.050 -0.124 0.000 0.953 156 N CB 0.503 38.949 38.487 -0.067 0.000 1.251 156 N HN 0.606 nan 8.380 nan 0.000 0.502 157 R N 3.012 123.353 120.500 -0.264 0.000 2.170 157 R HA -0.130 4.222 4.340 0.020 0.000 0.242 157 R C 0.751 176.982 176.300 -0.115 0.000 1.145 157 R CA 1.240 57.151 56.100 -0.314 0.000 0.984 157 R CB -0.146 29.958 30.300 -0.326 0.000 0.869 157 R HN 0.370 nan 8.270 nan 0.000 0.455 158 K N 0.462 120.810 120.400 -0.086 0.000 2.439 158 K HA 0.046 4.378 4.320 0.020 0.000 0.197 158 K C 1.628 178.199 176.600 -0.048 0.000 1.041 158 K CA 0.869 57.125 56.287 -0.051 0.000 0.970 158 K CB 0.169 32.646 32.500 -0.038 0.000 0.773 158 K HN 0.328 nan 8.250 nan 0.000 0.479 159 A N 1.510 124.297 122.820 -0.055 0.000 2.278 159 A HA -0.003 4.329 4.320 0.020 0.000 0.212 159 A C 0.873 178.434 177.584 -0.038 0.000 1.213 159 A CA 0.471 52.491 52.037 -0.029 0.000 0.840 159 A CB -0.238 18.754 19.000 -0.013 0.000 0.866 159 A HN 0.318 nan 8.150 nan 0.000 0.489 160 T N -4.609 109.881 114.554 -0.107 0.000 2.864 160 T HA 0.633 4.995 4.350 0.020 0.000 0.289 160 T C -2.814 171.725 174.700 -0.269 0.000 1.082 160 T CA -1.247 60.675 62.100 -0.297 0.000 1.009 160 T CB 2.161 70.840 68.868 -0.315 0.000 1.234 160 T HN -0.072 nan 8.240 nan 0.000 0.526 161 P HA 0.383 nan 4.420 nan 0.000 0.282 161 P C 0.037 177.224 177.300 -0.188 0.000 1.373 161 P CA -0.291 62.667 63.100 -0.236 0.000 1.001 161 P CB 0.147 31.721 31.700 -0.210 0.000 1.489 162 L N 2.240 123.332 121.223 -0.218 0.000 2.452 162 L HA 0.243 4.595 4.340 0.020 0.000 0.267 162 L C -1.473 175.293 176.870 -0.173 0.000 1.188 162 L CA -1.881 52.839 54.840 -0.201 0.000 0.821 162 L CB -0.221 41.649 42.059 -0.315 0.000 1.102 162 L HN -0.188 nan 8.230 nan 0.000 0.470 163 P HA 0.073 nan 4.420 nan 0.000 0.225 163 P C -0.894 176.213 177.300 -0.322 0.000 1.768 163 P CA -0.117 62.870 63.100 -0.187 0.000 0.943 163 P CB -0.483 31.165 31.700 -0.088 0.000 1.936 164 Y N 0.976 121.165 120.300 -0.186 0.000 2.511 164 Y HA 0.015 4.577 4.550 0.020 0.000 0.332 164 Y C 1.905 177.700 175.900 -0.175 0.000 1.177 164 Y CA -0.122 57.867 58.100 -0.185 0.000 1.422 164 Y CB 0.626 39.009 38.460 -0.128 0.000 1.271 164 Y HN 0.297 nan 8.280 nan 0.000 0.550 165 Q N 1.702 121.471 119.800 -0.052 0.000 2.500 165 Q HA 0.565 4.917 4.340 0.020 0.000 0.215 165 Q C -0.719 175.038 176.000 -0.404 0.000 1.062 165 Q CA -0.452 55.215 55.803 -0.227 0.000 0.996 165 Q CB 1.170 29.728 28.738 -0.301 0.000 1.239 165 Q HN 0.659 nan 8.270 nan 0.000 0.578 166 S N -0.555 114.800 115.700 -0.575 0.000 2.578 166 S HA 0.269 4.751 4.470 0.020 0.000 0.272 166 S C -1.166 173.161 174.600 -0.455 0.000 1.145 166 S CA -1.030 56.783 58.200 -0.645 0.000 0.835 166 S CB 1.437 64.499 63.200 -0.229 0.000 1.104 166 S HN 0.724 nan 8.310 nan 0.000 0.458 167 Q N 0.740 120.406 119.800 -0.223 0.000 2.805 167 Q HA 0.288 4.640 4.340 0.020 0.000 0.360 167 Q C -2.218 173.795 176.000 0.023 0.000 0.832 167 Q CA -1.788 53.985 55.803 -0.050 0.000 1.020 167 Q CB 1.287 30.052 28.738 0.045 0.000 1.444 167 Q HN 0.556 nan 8.270 nan 0.000 0.391 168 P HA -0.165 nan 4.420 nan 0.000 0.220 168 P C 0.088 177.396 177.300 0.013 0.000 1.144 168 P CA 1.330 64.435 63.100 0.008 0.000 0.800 168 P CB 0.421 32.115 31.700 -0.010 0.000 0.772 169 D N -1.375 119.033 120.400 0.013 0.000 2.469 169 D HA 0.054 4.706 4.640 0.020 0.000 0.213 169 D C 0.141 176.459 176.300 0.029 0.000 1.135 169 D CA -0.174 53.836 54.000 0.016 0.000 0.834 169 D CB -0.144 40.660 40.800 0.008 0.000 1.009 169 D HN 0.171 nan 8.370 nan 0.000 0.507 170 D N 0.424 120.852 120.400 0.045 0.000 2.506 170 D HA -0.052 4.600 4.640 0.020 0.000 0.234 170 D C 1.535 177.872 176.300 0.062 0.000 1.143 170 D CA 0.322 54.365 54.000 0.072 0.000 0.871 170 D CB 0.983 41.861 40.800 0.130 0.000 1.190 170 D HN -0.112 nan 8.370 nan 0.000 0.459 171 S N 1.736 117.473 115.700 0.061 0.000 2.447 171 S HA -0.134 4.348 4.470 0.020 0.000 0.233 171 S C 1.266 175.881 174.600 0.024 0.000 1.006 171 S CA -0.251 57.972 58.200 0.037 0.000 0.957 171 S CB -0.224 62.995 63.200 0.032 0.000 0.773 171 S HN 0.558 nan 8.310 nan 0.000 0.507 172 C N 3.439 122.763 119.300 0.039 0.000 2.349 172 C HA 0.353 4.825 4.460 0.020 0.000 0.348 172 C C 1.318 176.293 174.990 -0.024 0.000 1.223 172 C CA -0.830 58.159 59.018 -0.050 0.000 1.746 172 C CB -0.873 26.746 27.740 -0.203 0.000 2.360 172 C HN 0.388 nan 8.230 nan 0.000 0.533 173 D N 3.067 123.461 120.400 -0.011 0.000 2.149 173 D HA -0.186 4.466 4.640 0.020 0.000 0.194 173 D C 1.665 177.988 176.300 0.037 0.000 1.001 173 D CA 1.683 55.699 54.000 0.027 0.000 0.849 173 D CB -0.330 40.503 40.800 0.055 0.000 0.939 173 D HN 0.932 nan 8.370 nan 0.000 0.449 174 W N 0.718 121.942 121.300 -0.127 0.000 2.355 174 W HA -0.287 4.385 4.660 0.020 0.000 0.309 174 W C 1.708 178.220 176.519 -0.012 0.000 1.206 174 W CA 0.948 58.224 57.345 -0.114 0.000 1.284 174 W CB -0.461 28.888 29.460 -0.184 0.000 1.145 174 W HN 0.002 nan 8.180 nan 0.000 0.502 175 Y N 0.875 121.025 120.300 -0.250 0.000 2.224 175 Y HA -0.197 4.364 4.550 0.020 0.000 0.289 175 Y C 2.811 178.553 175.900 -0.262 0.000 1.146 175 Y CA 1.850 59.766 58.100 -0.306 0.000 1.182 175 Y CB -1.502 36.929 38.460 -0.047 0.000 0.983 175 Y HN 0.057 nan 8.280 nan 0.000 0.524 176 R N 0.205 120.712 120.500 0.012 0.000 2.061 176 R HA -0.097 4.255 4.340 0.020 0.000 0.230 176 R C 2.103 178.368 176.300 -0.058 0.000 1.140 176 R CA 1.352 57.468 56.100 0.026 0.000 0.940 176 R CB -0.528 29.786 30.300 0.023 0.000 0.839 176 R HN 0.279 nan 8.270 nan 0.000 0.429 177 L N 1.378 122.510 121.223 -0.151 0.000 2.376 177 L HA -0.070 4.282 4.340 0.020 0.000 0.219 177 L C 2.427 179.108 176.870 -0.316 0.000 1.133 177 L CA 0.905 55.648 54.840 -0.162 0.000 0.816 177 L CB -0.371 41.633 42.059 -0.092 0.000 0.933 177 L HN 0.334 nan 8.230 nan 0.000 0.449 178 R N -0.807 119.278 120.500 -0.692 0.000 2.328 178 R HA -0.117 4.235 4.340 0.020 0.000 0.207 178 R C 1.070 177.088 176.300 -0.470 0.000 1.056 178 R CA 1.047 56.645 56.100 -0.837 0.000 1.016 178 R CB -0.383 28.964 30.300 -1.587 0.000 0.872 178 R HN 0.479 nan 8.270 nan 0.000 0.471 179 H N 0.089 119.088 119.070 -0.117 0.000 2.652 179 H HA 0.292 4.860 4.556 0.020 0.000 0.274 179 H C -0.274 175.008 175.328 -0.077 0.000 1.021 179 H CA -0.225 55.782 56.048 -0.070 0.000 1.187 179 H CB 0.578 30.298 29.762 -0.070 0.000 1.505 179 H HN 0.215 nan 8.280 nan 0.000 0.530 180 E N 1.435 121.641 120.200 0.011 0.000 2.212 180 E HA 0.121 4.483 4.350 0.020 0.000 0.270 180 E C 0.115 176.711 176.600 -0.008 0.000 0.956 180 E CA -0.642 55.758 56.400 -0.001 0.000 0.825 180 E CB 2.030 31.732 29.700 0.003 0.000 1.167 180 E HN 0.281 nan 8.360 nan 0.000 0.400 181 E N 0.750 120.940 120.200 -0.016 0.000 2.529 181 E HA 0.136 4.498 4.350 0.020 0.000 0.259 181 E C -1.164 175.460 176.600 0.039 0.000 0.966 181 E CA 0.086 56.483 56.400 -0.004 0.000 0.937 181 E CB 0.346 30.038 29.700 -0.013 0.000 0.923 181 E HN 0.472 nan 8.360 nan 0.000 0.468 182 A N 6.496 129.363 122.820 0.079 0.000 2.768 182 A HA 0.319 4.651 4.320 0.020 0.000 0.299 182 A C -0.400 177.339 177.584 0.258 0.000 1.171 182 A CA -0.648 51.471 52.037 0.136 0.000 0.759 182 A CB 0.775 19.853 19.000 0.131 0.000 1.267 182 A HN 0.617 nan 8.150 nan 0.000 0.421 183 M N 1.658 121.396 119.600 0.229 0.000 2.603 183 M HA 0.179 4.671 4.480 0.020 0.000 0.380 183 M C 0.244 176.670 176.300 0.210 0.000 1.158 183 M CA 0.369 55.818 55.300 0.248 0.000 0.921 183 M CB -0.192 32.434 32.600 0.044 0.000 1.417 183 M HN 0.803 nan 8.290 nan 0.000 0.523 184 T N -3.666 111.049 114.554 0.269 0.000 2.883 184 T HA 0.569 4.931 4.350 0.020 0.000 0.296 184 T C -2.566 172.274 174.700 0.232 0.000 1.117 184 T CA -1.343 60.880 62.100 0.205 0.000 1.006 184 T CB 2.697 71.630 68.868 0.107 0.000 1.191 184 T HN -0.268 nan 8.240 nan 0.000 0.508 185 P HA -0.054 nan 4.420 nan 0.000 0.215 185 P C 0.942 178.288 177.300 0.076 0.000 1.157 185 P CA 1.173 64.349 63.100 0.127 0.000 0.868 185 P CB -0.078 31.683 31.700 0.101 0.000 0.788 186 D N -0.691 119.748 120.400 0.065 0.000 2.133 186 D HA -0.155 4.497 4.640 0.020 0.000 0.195 186 D C 2.005 178.334 176.300 0.048 0.000 0.997 186 D CA 1.734 55.760 54.000 0.043 0.000 0.840 186 D CB -0.899 39.923 40.800 0.037 0.000 0.947 186 D HN 0.058 nan 8.370 nan 0.000 0.452 187 A N 0.136 122.998 122.820 0.070 0.000 1.972 187 A HA -0.110 4.222 4.320 0.020 0.000 0.219 187 A C 2.448 180.070 177.584 0.063 0.000 1.169 187 A CA 1.047 53.127 52.037 0.073 0.000 0.635 187 A CB -0.489 18.569 19.000 0.095 0.000 0.810 187 A HN 0.165 nan 8.150 nan 0.000 0.446 188 V N -0.561 119.378 119.914 0.041 0.000 2.379 188 V HA -0.173 3.958 4.120 0.020 0.000 0.245 188 V C 2.530 178.614 176.094 -0.017 0.000 1.044 188 V CA 1.760 64.045 62.300 -0.025 0.000 1.036 188 V CB -0.554 31.191 31.823 -0.129 0.000 0.664 188 V HN 0.360 nan 8.190 nan 0.000 0.453 189 V N 0.008 119.923 119.914 0.001 0.000 2.490 189 V HA -0.253 3.879 4.120 0.020 0.000 0.250 189 V C 2.561 178.681 176.094 0.044 0.000 1.061 189 V CA 1.914 64.222 62.300 0.013 0.000 1.064 189 V CB -0.844 30.983 31.823 0.006 0.000 0.670 189 V HN 0.472 nan 8.190 nan 0.000 0.461 190 R N -0.492 120.037 120.500 0.049 0.000 2.092 190 R HA -0.065 4.287 4.340 0.020 0.000 0.231 190 R C 2.311 178.680 176.300 0.116 0.000 1.119 190 R CA 1.262 57.405 56.100 0.073 0.000 0.970 190 R CB -0.363 29.973 30.300 0.060 0.000 0.864 190 R HN 0.416 nan 8.270 nan 0.000 0.440 191 L N 0.075 121.372 121.223 0.124 0.000 2.017 191 L HA -0.199 4.153 4.340 0.020 0.000 0.208 191 L C 2.687 179.686 176.870 0.216 0.000 1.073 191 L CA 1.360 56.341 54.840 0.235 0.000 0.745 191 L CB -0.621 41.596 42.059 0.264 0.000 0.894 191 L HN 0.263 nan 8.230 nan 0.000 0.432 192 A N -0.106 122.719 122.820 0.009 0.000 1.883 192 A HA -0.275 4.056 4.320 0.020 0.000 0.217 192 A C 2.128 179.721 177.584 0.014 0.000 1.186 192 A CA 2.019 53.887 52.037 -0.281 0.000 0.624 192 A CB -0.601 18.039 19.000 -0.599 0.000 0.822 192 A HN 0.462 nan 8.150 nan 0.000 0.444 193 E N -0.511 119.821 120.200 0.220 0.000 2.049 193 E HA -0.184 4.178 4.350 0.020 0.000 0.198 193 E C 2.351 179.134 176.600 0.305 0.000 1.007 193 E CA 1.207 57.812 56.400 0.342 0.000 0.809 193 E CB -0.321 29.493 29.700 0.190 0.000 0.749 193 E HN 0.630 nan 8.360 nan 0.000 0.450 194 A N 1.187 124.157 122.820 0.249 0.000 1.902 194 A HA -0.121 4.211 4.320 0.020 0.000 0.217 194 A C 2.355 180.081 177.584 0.236 0.000 1.181 194 A CA 1.745 53.936 52.037 0.257 0.000 0.623 194 A CB -0.637 18.550 19.000 0.311 0.000 0.818 194 A HN 0.311 nan 8.150 nan 0.000 0.443 195 A N -1.545 121.399 122.820 0.206 0.000 1.898 195 A HA -0.090 4.242 4.320 0.020 0.000 0.216 195 A C 2.127 179.832 177.584 0.202 0.000 1.181 195 A CA 1.611 53.633 52.037 -0.025 0.000 0.620 195 A CB -0.816 18.092 19.000 -0.152 0.000 0.819 195 A HN 0.740 nan 8.150 nan 0.000 0.442 196 Y N 0.751 121.193 120.300 0.236 0.000 2.165 196 Y HA -0.231 4.331 4.550 0.019 0.000 0.286 196 Y C 2.355 178.287 175.900 0.053 0.000 1.155 196 Y CA 2.263 60.497 58.100 0.224 0.000 1.164 196 Y CB -0.223 38.434 38.460 0.327 0.000 0.978 196 Y HN 0.532 nan 8.280 nan 0.000 0.513 197 E N 0.226 120.448 120.200 0.037 0.000 2.051 197 E HA -0.302 4.060 4.350 0.020 0.000 0.192 197 E C 2.129 178.558 176.600 -0.285 0.000 0.991 197 E CA 1.717 58.055 56.400 -0.103 0.000 0.799 197 E CB -0.194 29.527 29.700 0.036 0.000 0.748 197 E HN 0.399 nan 8.360 nan 0.000 0.449 198 K N -0.568 119.621 120.400 -0.351 0.000 2.116 198 K HA -0.111 4.221 4.320 0.020 0.000 0.203 198 K C 1.372 177.468 176.600 -0.839 0.000 1.052 198 K CA 1.507 57.401 56.287 -0.655 0.000 0.952 198 K CB -0.147 31.823 32.500 -0.882 0.000 0.729 198 K HN 0.237 nan 8.250 nan 0.000 0.446 199 Y N -1.681 118.335 120.300 -0.473 0.000 2.444 199 Y HA 0.329 4.891 4.550 0.020 0.000 0.252 199 Y C 1.107 176.526 175.900 -0.802 0.000 1.091 199 Y CA -0.116 57.585 58.100 -0.666 0.000 1.276 199 Y CB 1.001 38.899 38.460 -0.937 0.000 1.170 199 Y HN 0.159 nan 8.280 nan 0.000 0.517 200 G N 0.812 109.234 108.800 -0.630 0.000 2.198 200 G HA2 -0.304 3.668 3.960 0.020 0.000 0.257 200 G HA3 -0.304 3.668 3.960 0.020 0.000 0.257 200 G C -0.224 174.430 174.900 -0.410 0.000 1.042 200 G CA -0.386 44.312 45.100 -0.669 0.000 0.791 200 G HN 0.145 nan 8.290 nan 0.000 0.502 201 F N 0.138 119.986 119.950 -0.169 0.000 2.595 201 F HA 0.225 4.764 4.527 0.020 0.000 0.359 201 F C 1.556 177.209 175.800 -0.244 0.000 1.147 201 F CA 0.263 58.060 58.000 -0.339 0.000 1.341 201 F CB 0.484 38.943 39.000 -0.902 0.000 1.104 201 F HN 0.053 nan 8.300 nan 0.000 0.603 202 N N 1.039 119.706 118.700 -0.055 0.000 2.184 202 N HA 0.053 4.805 4.740 0.020 0.000 0.206 202 N C -0.846 174.558 175.510 -0.177 0.000 1.151 202 N CA 0.281 53.308 53.050 -0.038 0.000 0.878 202 N CB 0.456 38.958 38.487 0.024 0.000 1.014 202 N HN 0.566 nan 8.380 nan 0.000 0.512 203 D N -0.021 120.132 120.400 -0.411 0.000 2.934 203 D HA 0.326 4.978 4.640 0.020 0.000 0.230 203 D C -1.029 174.794 176.300 -0.796 0.000 1.204 203 D CA -0.242 53.516 54.000 -0.403 0.000 0.873 203 D CB 1.817 42.474 40.800 -0.239 0.000 1.645 203 D HN -0.185 nan 8.370 nan 0.000 0.502 204 F N 0.843 120.616 119.950 -0.295 0.000 2.565 204 F HA 0.380 4.919 4.527 0.020 0.000 0.313 204 F C 0.235 175.807 175.800 -0.381 0.000 1.091 204 F CA -0.821 56.952 58.000 -0.379 0.000 0.915 204 F CB 2.527 41.319 39.000 -0.346 0.000 1.208 204 F HN -0.037 nan 8.300 nan 0.000 0.453 205 K N 2.691 122.935 120.400 -0.260 0.000 2.345 205 K HA 0.706 5.038 4.320 0.020 0.000 0.255 205 K C -1.937 174.499 176.600 -0.272 0.000 0.934 205 K CA -0.869 55.179 56.287 -0.397 0.000 0.801 205 K CB 1.804 33.827 32.500 -0.794 0.000 1.137 205 K HN 0.600 nan 8.250 nan 0.000 0.424 206 L N 3.907 125.001 121.223 -0.214 0.000 2.296 206 L HA 0.443 4.795 4.340 0.020 0.000 0.286 206 L C -0.870 175.892 176.870 -0.180 0.000 1.023 206 L CA -0.347 54.380 54.840 -0.189 0.000 0.812 206 L CB 1.199 43.151 42.059 -0.178 0.000 1.223 206 L HN 0.551 nan 8.230 nan 0.000 0.421 207 K N 3.646 123.859 120.400 -0.313 0.000 2.349 207 K HA 0.607 4.939 4.320 0.020 0.000 0.288 207 K C 0.157 176.706 176.600 -0.085 0.000 1.058 207 K CA 0.256 56.347 56.287 -0.326 0.000 0.953 207 K CB 0.616 32.543 32.500 -0.956 0.000 0.997 207 K HN 0.838 nan 8.250 nan 0.000 0.477 208 G N 1.606 110.403 108.800 -0.005 0.000 2.828 208 G HA2 0.480 4.452 3.960 0.020 0.000 0.244 208 G HA3 0.480 4.452 3.960 0.020 0.000 0.244 208 G C 0.316 175.266 174.900 0.084 0.000 1.365 208 G CA -0.630 44.540 45.100 0.117 0.000 1.041 208 G HN 1.063 nan 8.290 nan 0.000 0.560 209 G N -2.516 106.337 108.800 0.089 0.000 2.160 209 G HA2 -0.162 3.810 3.960 0.020 0.000 0.251 209 G HA3 -0.162 3.810 3.960 0.020 0.000 0.251 209 G C 0.638 175.614 174.900 0.126 0.000 1.008 209 G CA 0.773 45.920 45.100 0.078 0.000 0.724 209 G HN 1.104 nan 8.290 nan 0.000 0.514 210 V N -0.682 119.305 119.914 0.122 0.000 2.840 210 V HA 0.432 4.564 4.120 0.020 0.000 0.234 210 V C 1.642 177.707 176.094 -0.049 0.000 1.159 210 V CA 1.458 63.781 62.300 0.037 0.000 1.194 210 V CB -0.110 31.719 31.823 0.010 0.000 0.971 210 V HN 0.342 nan 8.190 nan 0.000 0.494 211 L N -0.395 120.755 121.223 -0.123 0.000 2.421 211 L HA 0.793 5.144 4.340 0.020 0.000 0.267 211 L C 0.392 177.270 176.870 0.013 0.000 1.036 211 L CA -0.819 53.943 54.840 -0.129 0.000 0.829 211 L CB 0.735 42.618 42.059 -0.294 0.000 1.437 211 L HN 0.164 nan 8.230 nan 0.000 0.488 212 A N -0.009 122.805 122.820 -0.009 0.000 2.498 212 A HA 0.333 4.665 4.320 0.020 0.000 0.239 212 A C 1.275 178.875 177.584 0.027 0.000 1.068 212 A CA 0.401 52.443 52.037 0.009 0.000 0.766 212 A CB 0.054 19.028 19.000 -0.043 0.000 1.003 212 A HN 0.931 nan 8.150 nan 0.000 0.497 213 G N 0.688 109.471 108.800 -0.027 0.000 2.529 213 G HA2 -0.202 3.770 3.960 0.020 0.000 0.219 213 G HA3 -0.202 3.770 3.960 0.020 0.000 0.219 213 G C 1.411 176.186 174.900 -0.209 0.000 1.177 213 G CA 2.098 47.052 45.100 -0.243 0.000 0.773 213 G HN 1.190 nan 8.290 nan 0.000 0.573 214 E N 0.556 120.617 120.200 -0.233 0.000 2.097 214 E HA -0.213 4.149 4.350 0.020 0.000 0.196 214 E C 2.176 178.734 176.600 -0.071 0.000 1.000 214 E CA 1.976 58.266 56.400 -0.184 0.000 0.804 214 E CB -0.681 28.906 29.700 -0.189 0.000 0.740 214 E HN 0.763 nan 8.360 nan 0.000 0.454 215 E N -0.161 120.018 120.200 -0.035 0.000 2.072 215 E HA -0.170 4.192 4.350 0.020 0.000 0.190 215 E C 2.220 178.880 176.600 0.099 0.000 0.982 215 E CA 1.167 57.573 56.400 0.010 0.000 0.803 215 E CB -0.080 29.604 29.700 -0.028 0.000 0.755 215 E HN 0.681 nan 8.360 nan 0.000 0.453 216 E N 0.050 120.340 120.200 0.150 0.000 2.153 216 E HA -0.191 4.171 4.350 0.020 0.000 0.194 216 E C 1.998 178.759 176.600 0.269 0.000 0.988 216 E CA 0.790 57.372 56.400 0.303 0.000 0.811 216 E CB -0.134 29.808 29.700 0.404 0.000 0.746 216 E HN 0.387 nan 8.360 nan 0.000 0.466 217 A N 1.507 124.454 122.820 0.212 0.000 1.978 217 A HA -0.225 4.107 4.320 0.020 0.000 0.220 217 A C 1.868 179.593 177.584 0.234 0.000 1.170 217 A CA 1.304 53.486 52.037 0.241 0.000 0.636 217 A CB -0.269 18.895 19.000 0.273 0.000 0.810 217 A HN 0.076 nan 8.150 nan 0.000 0.448 218 E N 0.295 120.609 120.200 0.190 0.000 2.110 218 E HA -0.095 4.266 4.350 0.020 0.000 0.193 218 E C 2.261 178.942 176.600 0.135 0.000 0.988 218 E CA 1.298 57.795 56.400 0.162 0.000 0.804 218 E CB -0.726 29.044 29.700 0.116 0.000 0.745 218 E HN 0.550 nan 8.360 nan 0.000 0.458 219 S N 0.833 116.629 115.700 0.160 0.000 2.368 219 S HA -0.098 4.384 4.470 0.020 0.000 0.225 219 S C 1.924 176.562 174.600 0.064 0.000 1.030 219 S CA 0.655 58.925 58.200 0.118 0.000 0.999 219 S CB -0.077 63.210 63.200 0.146 0.000 0.844 219 S HN 0.159 nan 8.310 nan 0.000 0.459 220 I N 1.223 121.842 120.570 0.082 0.000 2.179 220 I HA -0.100 4.082 4.170 0.020 0.000 0.242 220 I C 2.345 178.479 176.117 0.029 0.000 1.088 220 I CA 1.008 62.336 61.300 0.046 0.000 1.357 220 I CB -1.604 36.439 38.000 0.072 0.000 1.051 220 I HN 0.143 nan 8.210 nan 0.000 0.409 221 V N 1.526 121.464 119.914 0.042 0.000 2.255 221 V HA -0.317 3.815 4.120 0.020 0.000 0.247 221 V C 2.879 178.979 176.094 0.008 0.000 1.051 221 V CA 2.125 64.429 62.300 0.006 0.000 1.018 221 V CB -1.189 30.649 31.823 0.026 0.000 0.641 221 V HN 0.482 nan 8.190 nan 0.000 0.445 222 A N -0.382 122.454 122.820 0.026 0.000 1.892 222 A HA -0.236 4.096 4.320 0.020 0.000 0.218 222 A C 2.203 179.787 177.584 0.001 0.000 1.188 222 A CA 2.260 54.303 52.037 0.010 0.000 0.631 222 A CB -0.673 18.340 19.000 0.021 0.000 0.822 222 A HN 0.525 nan 8.150 nan 0.000 0.447 223 L N -0.946 120.288 121.223 0.019 0.000 2.083 223 L HA -0.186 4.166 4.340 0.020 0.000 0.209 223 L C 3.043 179.975 176.870 0.102 0.000 1.083 223 L CA 1.065 55.941 54.840 0.060 0.000 0.752 223 L CB -0.470 41.595 42.059 0.009 0.000 0.899 223 L HN 0.439 nan 8.230 nan 0.000 0.433 224 A N -0.711 122.137 122.820 0.046 0.000 1.969 224 A HA -0.189 4.143 4.320 0.020 0.000 0.218 224 A C 2.248 179.840 177.584 0.014 0.000 1.169 224 A CA 1.188 53.249 52.037 0.041 0.000 0.635 224 A CB -0.299 18.701 19.000 0.001 0.000 0.810 224 A HN 0.481 nan 8.150 nan 0.000 0.445 225 Q N -1.084 118.705 119.800 -0.019 0.000 2.083 225 Q HA -0.161 4.191 4.340 0.020 0.000 0.198 225 Q C 2.293 178.223 176.000 -0.118 0.000 0.969 225 Q CA 1.491 57.261 55.803 -0.055 0.000 0.838 225 Q CB -0.188 28.520 28.738 -0.051 0.000 0.900 225 Q HN 0.569 nan 8.270 nan 0.000 0.436 226 R N 0.377 120.774 120.500 -0.172 0.000 2.115 226 R HA -0.052 4.300 4.340 0.020 0.000 0.226 226 R C -0.097 175.802 176.300 -0.668 0.000 1.100 226 R CA 1.074 56.911 56.100 -0.438 0.000 0.980 226 R CB 0.172 30.156 30.300 -0.526 0.000 0.875 226 R HN 0.071 nan 8.270 nan 0.000 0.445 227 F N 0.792 120.690 119.950 -0.086 0.000 2.531 227 F HA 0.390 4.929 4.527 0.020 0.000 0.333 227 F C -1.689 174.095 175.800 -0.027 0.000 1.292 227 F CA -2.265 55.697 58.000 -0.063 0.000 1.184 227 F CB 1.944 40.935 39.000 -0.015 0.000 1.426 227 F HN -0.009 nan 8.300 nan 0.000 0.559 228 P HA -0.160 nan 4.420 nan 0.000 0.225 228 P C 0.951 178.285 177.300 0.056 0.000 1.148 228 P CA 1.265 64.390 63.100 0.040 0.000 0.779 228 P CB 0.435 32.135 31.700 -0.001 0.000 0.780 229 Q N -0.854 118.997 119.800 0.085 0.000 2.384 229 Q HA 0.308 4.660 4.340 0.020 0.000 0.207 229 Q C 0.884 176.935 176.000 0.086 0.000 0.904 229 Q CA -0.009 55.839 55.803 0.075 0.000 0.933 229 Q CB -0.154 28.628 28.738 0.073 0.000 1.077 229 Q HN 0.164 nan 8.270 nan 0.000 0.522 230 A N 0.695 123.591 122.820 0.127 0.000 2.371 230 A HA 0.411 4.743 4.320 0.020 0.000 0.257 230 A C -0.393 177.221 177.584 0.051 0.000 1.089 230 A CA -0.328 51.772 52.037 0.106 0.000 0.794 230 A CB 0.380 19.495 19.000 0.191 0.000 1.029 230 A HN 0.183 nan 8.150 nan 0.000 0.488 231 R N 1.046 121.545 120.500 -0.000 0.000 2.216 231 R HA 0.445 4.797 4.340 0.020 0.000 0.332 231 R C -1.089 175.154 176.300 -0.094 0.000 1.056 231 R CA 0.159 56.234 56.100 -0.042 0.000 0.901 231 R CB 0.468 30.746 30.300 -0.036 0.000 1.039 231 R HN 0.644 nan 8.270 nan 0.000 0.456 232 I N 1.798 122.301 120.570 -0.112 0.000 2.493 232 I HA 0.365 4.547 4.170 0.020 0.000 0.298 232 I C 0.308 176.244 176.117 -0.303 0.000 0.998 232 I CA -0.487 60.724 61.300 -0.148 0.000 1.137 232 I CB 2.270 40.238 38.000 -0.053 0.000 1.310 232 I HN 0.599 nan 8.210 nan 0.000 0.445 233 T N 3.373 117.707 114.554 -0.366 0.000 2.903 233 T HA 0.764 5.126 4.350 0.020 0.000 0.299 233 T C -1.185 173.353 174.700 -0.271 0.000 1.093 233 T CA -0.780 61.025 62.100 -0.492 0.000 1.002 233 T CB 1.923 70.243 68.868 -0.914 0.000 1.127 233 T HN 0.391 nan 8.240 nan 0.000 0.488 234 L N 1.479 122.592 121.223 -0.183 0.000 2.386 234 L HA 0.821 5.172 4.340 0.020 0.000 0.271 234 L C -1.623 175.165 176.870 -0.137 0.000 0.993 234 L CA -0.315 54.463 54.840 -0.104 0.000 0.819 234 L CB 2.080 44.153 42.059 0.024 0.000 1.294 234 L HN 0.901 nan 8.230 nan 0.000 0.414 235 D N 5.563 125.877 120.400 -0.145 0.000 2.408 235 D HA 0.495 5.146 4.640 0.020 0.000 0.261 235 D C -2.292 173.874 176.300 -0.223 0.000 1.190 235 D CA -1.946 51.952 54.000 -0.171 0.000 0.910 235 D CB 1.883 42.633 40.800 -0.085 0.000 1.097 235 D HN 0.312 nan 8.370 nan 0.000 0.522 236 P HA 0.117 nan 4.420 nan 0.000 0.253 236 P C -0.473 176.615 177.300 -0.354 0.000 1.260 236 P CA 0.039 62.814 63.100 -0.542 0.000 0.800 236 P CB -0.156 30.702 31.700 -1.404 0.000 1.162 237 N N -0.557 117.995 118.700 -0.245 0.000 2.721 237 N HA -0.205 4.547 4.740 0.020 0.000 0.249 237 N C 0.732 176.156 175.510 -0.144 0.000 1.072 237 N CA 0.358 53.325 53.050 -0.138 0.000 0.710 237 N CB -1.469 37.001 38.487 -0.028 0.000 0.993 237 N HN 0.374 nan 8.380 nan 0.000 0.547 238 G N -1.193 107.466 108.800 -0.234 0.000 2.166 238 G HA2 -0.350 3.622 3.960 0.020 0.000 0.260 238 G HA3 -0.350 3.622 3.960 0.020 0.000 0.260 238 G C 1.082 175.899 174.900 -0.139 0.000 0.986 238 G CA 1.035 46.023 45.100 -0.186 0.000 0.683 238 G HN 0.829 nan 8.290 nan 0.000 0.527 239 A N -0.727 121.978 122.820 -0.193 0.000 1.940 239 A HA 0.184 4.516 4.320 0.020 0.000 0.219 239 A C 1.321 178.965 177.584 0.100 0.000 1.176 239 A CA 1.374 53.369 52.037 -0.071 0.000 0.631 239 A CB -0.296 18.665 19.000 -0.065 0.000 0.814 239 A HN 0.650 nan 8.150 nan 0.000 0.446 240 W N 1.084 122.378 121.300 -0.011 0.000 2.170 240 W HA 0.428 5.099 4.660 0.019 0.000 0.336 240 W C 1.040 177.562 176.519 0.004 0.000 1.283 240 W CA -0.745 56.599 57.345 -0.002 0.000 1.224 240 W CB -0.263 29.200 29.460 0.006 0.000 1.132 240 W HN 0.364 nan 8.180 nan 0.000 0.571 241 S N 1.566 117.416 115.700 0.251 0.000 2.608 241 S HA 0.084 4.566 4.470 0.020 0.000 0.261 241 S C 0.890 175.598 174.600 0.180 0.000 1.314 241 S CA -0.543 57.751 58.200 0.156 0.000 0.992 241 S CB 0.831 64.090 63.200 0.097 0.000 0.935 241 S HN 0.450 nan 8.310 nan 0.000 0.564 242 L N 1.674 122.981 121.223 0.139 0.000 2.046 242 L HA -0.073 4.279 4.340 0.020 0.000 0.208 242 L C 2.048 179.010 176.870 0.154 0.000 1.077 242 L CA 1.892 56.828 54.840 0.159 0.000 0.747 242 L CB -1.398 40.720 42.059 0.098 0.000 0.896 242 L HN 0.855 nan 8.230 nan 0.000 0.432 243 N N -0.828 117.929 118.700 0.094 0.000 2.120 243 N HA -0.195 4.556 4.740 0.020 0.000 0.188 243 N C 1.590 177.135 175.510 0.058 0.000 1.024 243 N CA 1.433 54.519 53.050 0.061 0.000 0.852 243 N CB -0.022 38.482 38.487 0.029 0.000 1.003 243 N HN 0.547 nan 8.380 nan 0.000 0.424 244 E N 0.962 121.195 120.200 0.056 0.000 2.047 244 E HA -0.131 4.231 4.350 0.020 0.000 0.191 244 E C 2.100 178.713 176.600 0.023 0.000 0.987 244 E CA 1.011 57.399 56.400 -0.021 0.000 0.799 244 E CB -0.091 29.565 29.700 -0.075 0.000 0.752 244 E HN 0.341 nan 8.360 nan 0.000 0.449 245 A N 1.210 124.175 122.820 0.242 0.000 1.940 245 A HA -0.185 4.147 4.320 0.020 0.000 0.219 245 A C 2.190 180.073 177.584 0.499 0.000 1.176 245 A CA 1.133 53.465 52.037 0.490 0.000 0.631 245 A CB -0.617 18.707 19.000 0.540 0.000 0.814 245 A HN 0.159 nan 8.150 nan 0.000 0.446 246 I N -0.667 120.103 120.570 0.334 0.000 2.315 246 I HA -0.236 3.946 4.170 0.020 0.000 0.248 246 I C 2.587 178.753 176.117 0.080 0.000 1.117 246 I CA 1.602 62.992 61.300 0.150 0.000 1.404 246 I CB -0.245 37.781 38.000 0.044 0.000 1.071 246 I HN 0.389 nan 8.210 nan 0.000 0.419 247 K N 1.721 122.154 120.400 0.054 0.000 2.002 247 K HA -0.178 4.154 4.320 0.020 0.000 0.209 247 K C 2.121 178.743 176.600 0.038 0.000 1.048 247 K CA 1.636 57.928 56.287 0.009 0.000 0.930 247 K CB -0.124 32.347 32.500 -0.048 0.000 0.714 247 K HN 0.259 nan 8.250 nan 0.000 0.438 248 I N 0.651 121.225 120.570 0.006 0.000 2.179 248 I HA -0.186 3.995 4.170 0.020 0.000 0.242 248 I C 2.533 178.780 176.117 0.218 0.000 1.088 248 I CA 1.377 62.704 61.300 0.045 0.000 1.357 248 I CB -0.701 37.164 38.000 -0.225 0.000 1.051 248 I HN 0.366 nan 8.210 nan 0.000 0.409 249 G N 0.797 109.763 108.800 0.276 0.000 2.422 249 G HA2 -0.238 3.733 3.960 0.020 0.000 0.218 249 G HA3 -0.238 3.733 3.960 0.020 0.000 0.218 249 G C 1.758 176.741 174.900 0.138 0.000 1.146 249 G CA 0.590 45.866 45.100 0.294 0.000 0.769 249 G HN 0.317 nan 8.290 nan 0.000 0.547 250 K N -0.925 119.533 120.400 0.096 0.000 2.097 250 K HA -0.043 4.289 4.320 0.020 0.000 0.205 250 K C 2.103 178.759 176.600 0.094 0.000 1.050 250 K CA 0.979 57.299 56.287 0.055 0.000 0.938 250 K CB -0.274 32.245 32.500 0.031 0.000 0.718 250 K HN 0.488 nan 8.250 nan 0.000 0.442 251 Y N 0.770 121.074 120.300 0.006 0.000 2.242 251 Y HA -0.093 4.469 4.550 0.019 0.000 0.291 251 Y C 1.399 177.310 175.900 0.018 0.000 1.137 251 Y CA 1.155 59.257 58.100 0.002 0.000 1.181 251 Y CB 0.207 38.659 38.460 -0.013 0.000 0.989 251 Y HN -0.075 nan 8.280 nan 0.000 0.527 252 L N 0.886 122.074 121.223 -0.059 0.000 2.592 252 L HA 0.077 4.429 4.340 0.020 0.000 0.227 252 L C 0.548 177.380 176.870 -0.064 0.000 1.127 252 L CA -0.010 54.757 54.840 -0.123 0.000 0.884 252 L CB -0.201 41.887 42.059 0.048 0.000 1.065 252 L HN -0.034 nan 8.230 nan 0.000 0.457 253 K N 0.401 120.778 120.400 -0.038 0.000 2.448 253 K HA 0.250 4.582 4.320 0.020 0.000 0.278 253 K C 1.147 177.715 176.600 -0.052 0.000 1.009 253 K CA 1.074 57.349 56.287 -0.020 0.000 0.995 253 K CB 0.505 32.998 32.500 -0.013 0.000 0.917 253 K HN 0.161 nan 8.250 nan 0.000 0.481 254 G N 1.770 110.550 108.800 -0.033 0.000 2.279 254 G HA2 -0.262 3.710 3.960 0.020 0.000 0.223 254 G HA3 -0.262 3.710 3.960 0.020 0.000 0.223 254 G C 0.876 175.748 174.900 -0.047 0.000 1.015 254 G CA 0.391 45.465 45.100 -0.042 0.000 0.621 254 G HN 0.594 nan 8.290 nan 0.000 0.506 255 S N -0.278 115.387 115.700 -0.059 0.000 2.545 255 S HA 0.456 4.938 4.470 0.020 0.000 0.232 255 S C 0.869 175.448 174.600 -0.035 0.000 1.070 255 S CA 0.060 58.229 58.200 -0.052 0.000 0.923 255 S CB 0.346 63.499 63.200 -0.079 0.000 0.806 255 S HN 0.385 nan 8.310 nan 0.000 0.506 256 L N 1.313 122.520 121.223 -0.027 0.000 2.334 256 L HA 0.489 4.841 4.340 0.020 0.000 0.277 256 L C 1.209 178.053 176.870 -0.043 0.000 1.075 256 L CA -0.558 54.255 54.840 -0.046 0.000 0.804 256 L CB 1.194 43.252 42.059 -0.002 0.000 1.174 256 L HN 0.174 nan 8.230 nan 0.000 0.438 257 A N 3.563 126.313 122.820 -0.117 0.000 1.970 257 A HA 0.062 4.394 4.320 0.020 0.000 0.216 257 A C 0.220 177.858 177.584 0.089 0.000 1.170 257 A CA 1.104 53.118 52.037 -0.038 0.000 0.645 257 A CB -0.047 18.905 19.000 -0.079 0.000 0.816 257 A HN 0.761 nan 8.150 nan 0.000 0.447 258 Y N -5.402 114.909 120.300 0.018 0.000 2.774 258 Y HA 0.608 5.172 4.550 0.022 0.000 0.346 258 Y C -0.810 175.106 175.900 0.027 0.000 1.222 258 Y CA -1.291 56.828 58.100 0.032 0.000 1.088 258 Y CB 0.487 38.951 38.460 0.008 0.000 1.354 258 Y HN 0.210 nan 8.280 nan 0.000 0.455 259 A N 1.548 124.569 122.820 0.335 0.000 2.304 259 A HA 0.548 4.880 4.320 0.020 0.000 0.314 259 A C -1.035 176.625 177.584 0.126 0.000 1.187 259 A CA -0.619 51.515 52.037 0.162 0.000 0.810 259 A CB 1.044 20.124 19.000 0.133 0.000 1.183 259 A HN 0.721 nan 8.150 nan 0.000 0.487 260 E N 2.916 123.149 120.200 0.055 0.000 2.115 260 E HA 0.259 4.621 4.350 0.020 0.000 0.282 260 E C -0.817 175.686 176.600 -0.161 0.000 0.987 260 E CA -0.477 55.917 56.400 -0.010 0.000 0.797 260 E CB 0.304 30.019 29.700 0.025 0.000 1.086 260 E HN 0.644 nan 8.360 nan 0.000 0.397 261 D N 5.042 125.330 120.400 -0.186 0.000 2.740 261 D HA -0.154 4.498 4.640 0.020 0.000 0.231 261 D C -1.790 174.293 176.300 -0.361 0.000 1.194 261 D CA 0.251 54.110 54.000 -0.235 0.000 0.673 261 D CB -0.430 40.261 40.800 -0.182 0.000 0.995 261 D HN 0.503 nan 8.370 nan 0.000 0.411 262 P HA -0.092 nan 4.420 nan 0.000 0.218 262 P C 0.896 177.976 177.300 -0.367 0.000 1.149 262 P CA 1.111 63.873 63.100 -0.564 0.000 0.817 262 P CB 0.142 31.415 31.700 -0.712 0.000 0.785 263 C N -4.330 114.806 119.300 -0.274 0.000 3.323 263 C HA 0.942 5.414 4.460 0.020 0.000 0.324 263 C C 0.225 175.173 174.990 -0.070 0.000 1.428 263 C CA -0.338 58.628 59.018 -0.087 0.000 1.368 263 C CB 1.598 29.361 27.740 0.038 0.000 1.731 263 C HN 0.341 nan 8.230 nan 0.000 0.455 264 G N -0.592 108.204 108.800 -0.006 0.000 2.911 264 G HA2 0.830 4.801 3.960 0.020 0.000 0.299 264 G HA3 0.830 4.801 3.960 0.020 0.000 0.299 264 G C -0.401 174.528 174.900 0.050 0.000 1.283 264 G CA -0.159 44.946 45.100 0.009 0.000 0.805 264 G HN 1.946 nan 8.290 nan 0.000 0.548 265 A N -0.127 122.727 122.820 0.057 0.000 2.587 265 A HA 0.501 4.833 4.320 0.020 0.000 0.235 265 A C 0.419 178.060 177.584 0.095 0.000 1.044 265 A CA 1.412 53.499 52.037 0.084 0.000 0.754 265 A CB -0.525 18.512 19.000 0.063 0.000 0.968 265 A HN 1.201 nan 8.150 nan 0.000 0.509 266 E N 1.030 121.317 120.200 0.145 0.000 2.388 266 E HA 0.408 4.770 4.350 0.020 0.000 0.281 266 E C -0.610 176.124 176.600 0.223 0.000 1.046 266 E CA -0.739 55.745 56.400 0.140 0.000 0.825 266 E CB 0.289 30.056 29.700 0.112 0.000 1.243 266 E HN 0.624 nan 8.360 nan 0.000 0.438 267 Q N 0.369 120.264 119.800 0.158 0.000 2.480 267 Q HA -0.299 4.053 4.340 0.020 0.000 0.265 267 Q C 0.798 176.818 176.000 0.033 0.000 1.072 267 Q CA 1.181 57.084 55.803 0.166 0.000 1.018 267 Q CB -1.999 26.915 28.738 0.293 0.000 1.433 267 Q HN 1.459 nan 8.270 nan 0.000 0.513 268 G N -1.486 107.290 108.800 -0.039 0.000 2.176 268 G HA2 -0.313 3.659 3.960 0.020 0.000 0.253 268 G HA3 -0.313 3.659 3.960 0.020 0.000 0.253 268 G C -0.142 174.554 174.900 -0.339 0.000 0.979 268 G CA 0.204 45.171 45.100 -0.221 0.000 0.641 268 G HN 0.305 nan 8.290 nan 0.000 0.530 269 F N 2.172 122.129 119.950 0.012 0.000 2.422 269 F HA 0.646 5.181 4.527 0.012 0.000 0.333 269 F C 1.187 176.994 175.800 0.012 0.000 1.095 269 F CA -0.254 57.754 58.000 0.013 0.000 1.038 269 F CB 1.690 40.704 39.000 0.024 0.000 1.156 269 F HN 0.244 nan 8.300 nan 0.000 0.483 270 S N 0.959 116.772 115.700 0.189 0.000 2.608 270 S HA 0.309 4.790 4.470 0.020 0.000 0.261 270 S C 1.333 176.001 174.600 0.114 0.000 1.314 270 S CA -0.280 57.984 58.200 0.107 0.000 0.992 270 S CB 1.144 64.380 63.200 0.060 0.000 0.935 270 S HN 0.876 nan 8.310 nan 0.000 0.564 271 G N 0.610 109.456 108.800 0.076 0.000 2.448 271 G HA2 -0.156 3.816 3.960 0.020 0.000 0.219 271 G HA3 -0.156 3.816 3.960 0.020 0.000 0.219 271 G C 1.533 176.473 174.900 0.066 0.000 1.127 271 G CA 0.345 45.481 45.100 0.061 0.000 0.766 271 G HN 0.781 nan 8.290 nan 0.000 0.552 272 R N 0.172 120.718 120.500 0.078 0.000 2.075 272 R HA 0.029 4.381 4.340 0.020 0.000 0.232 272 R C 2.511 178.867 176.300 0.094 0.000 1.126 272 R CA 1.337 57.490 56.100 0.089 0.000 0.963 272 R CB -0.212 30.154 30.300 0.110 0.000 0.858 272 R HN 0.423 nan 8.270 nan 0.000 0.435 273 E N -0.002 120.263 120.200 0.109 0.000 2.047 273 E HA -0.153 4.209 4.350 0.020 0.000 0.191 273 E C 2.014 178.648 176.600 0.057 0.000 0.987 273 E CA 1.371 57.836 56.400 0.108 0.000 0.799 273 E CB 0.033 29.855 29.700 0.202 0.000 0.752 273 E HN 0.063 nan 8.360 nan 0.000 0.449 274 V N 1.211 121.165 119.914 0.066 0.000 2.295 274 V HA -0.280 3.852 4.120 0.020 0.000 0.246 274 V C 2.324 178.470 176.094 0.086 0.000 1.049 274 V CA 1.480 63.804 62.300 0.039 0.000 1.024 274 V CB -0.370 31.493 31.823 0.066 0.000 0.648 274 V HN 0.360 nan 8.190 nan 0.000 0.447 275 M N -0.296 119.355 119.600 0.085 0.000 2.149 275 M HA -0.176 4.316 4.480 0.020 0.000 0.261 275 M C 2.366 178.768 176.300 0.171 0.000 1.064 275 M CA 2.139 57.506 55.300 0.111 0.000 1.102 275 M CB -1.032 31.597 32.600 0.048 0.000 1.369 275 M HN 0.452 nan 8.290 nan 0.000 0.408 276 A N 0.128 123.017 122.820 0.114 0.000 1.969 276 A HA -0.152 4.180 4.320 0.020 0.000 0.218 276 A C 1.959 179.593 177.584 0.084 0.000 1.169 276 A CA 1.450 53.546 52.037 0.099 0.000 0.635 276 A CB -0.547 18.496 19.000 0.072 0.000 0.810 276 A HN 0.578 nan 8.150 nan 0.000 0.445 277 E N -1.355 118.884 120.200 0.066 0.000 2.152 277 E HA -0.107 4.255 4.350 0.020 0.000 0.192 277 E C 1.698 178.332 176.600 0.058 0.000 0.983 277 E CA 0.977 57.392 56.400 0.024 0.000 0.818 277 E CB -0.258 29.419 29.700 -0.037 0.000 0.758 277 E HN 0.739 nan 8.360 nan 0.000 0.467 278 F N 2.356 122.307 119.950 0.003 0.000 2.069 278 F HA -0.212 4.324 4.527 0.015 0.000 0.298 278 F C 2.458 178.278 175.800 0.034 0.000 1.113 278 F CA 1.729 59.745 58.000 0.028 0.000 1.214 278 F CB -0.061 38.968 39.000 0.049 0.000 0.978 278 F HN -0.224 nan 8.300 nan 0.000 0.474 279 R N 0.348 120.935 120.500 0.146 0.000 2.083 279 R HA -0.221 4.131 4.340 0.020 0.000 0.237 279 R C 2.638 178.887 176.300 -0.085 0.000 1.137 279 R CA 1.931 58.064 56.100 0.056 0.000 0.951 279 R CB -0.475 29.941 30.300 0.193 0.000 0.851 279 R HN 0.330 nan 8.270 nan 0.000 0.434 280 R N -0.281 120.191 120.500 -0.048 0.000 2.075 280 R HA -0.083 4.269 4.340 0.020 0.000 0.232 280 R C 2.072 178.310 176.300 -0.103 0.000 1.126 280 R CA 1.467 57.533 56.100 -0.056 0.000 0.963 280 R CB -0.227 30.057 30.300 -0.027 0.000 0.858 280 R HN 0.331 nan 8.270 nan 0.000 0.435 281 A N -0.252 122.477 122.820 -0.152 0.000 1.968 281 A HA -0.119 4.213 4.320 0.020 0.000 0.217 281 A C 2.081 179.541 177.584 -0.207 0.000 1.169 281 A CA 1.843 53.784 52.037 -0.160 0.000 0.638 281 A CB -0.486 18.423 19.000 -0.152 0.000 0.812 281 A HN 0.611 nan 8.150 nan 0.000 0.446 282 T N -5.396 108.950 114.554 -0.347 0.000 3.039 282 T HA 0.395 4.757 4.350 0.020 0.000 0.250 282 T C 1.543 176.135 174.700 -0.180 0.000 1.052 282 T CA 1.186 63.096 62.100 -0.316 0.000 1.125 282 T CB 0.001 68.517 68.868 -0.587 0.000 0.908 282 T HN 1.663 nan 8.240 nan 0.000 0.473 283 G N 1.386 110.095 108.800 -0.152 0.000 2.148 283 G HA2 -0.203 3.769 3.960 0.020 0.000 0.254 283 G HA3 -0.203 3.769 3.960 0.020 0.000 0.254 283 G C -0.087 174.803 174.900 -0.017 0.000 0.981 283 G CA 0.262 45.326 45.100 -0.060 0.000 0.670 283 G HN 0.646 nan 8.290 nan 0.000 0.528 284 L N 1.391 122.601 121.223 -0.021 0.000 2.350 284 L HA 0.450 4.801 4.340 0.020 0.000 0.275 284 L C -1.666 175.304 176.870 0.166 0.000 1.099 284 L CA -2.140 52.756 54.840 0.093 0.000 0.808 284 L CB 1.277 43.443 42.059 0.179 0.000 1.149 284 L HN -0.105 nan 8.230 nan 0.000 0.442 285 P HA 0.156 nan 4.420 nan 0.000 0.275 285 P C -0.879 176.553 177.300 0.220 0.000 1.228 285 P CA -0.339 62.859 63.100 0.165 0.000 0.786 285 P CB 0.947 32.733 31.700 0.144 0.000 0.927 286 T N -1.039 113.602 114.554 0.145 0.000 2.908 286 T HA 0.847 5.209 4.350 0.020 0.000 0.290 286 T C -0.723 173.947 174.700 -0.050 0.000 1.034 286 T CA -0.858 61.306 62.100 0.108 0.000 1.010 286 T CB 1.772 70.719 68.868 0.130 0.000 1.068 286 T HN 0.396 nan 8.240 nan 0.000 0.481 287 A N 0.958 123.722 122.820 -0.093 0.000 2.430 287 A HA 0.948 5.280 4.320 0.020 0.000 0.300 287 A C -0.146 177.364 177.584 -0.124 0.000 1.124 287 A CA -0.906 51.002 52.037 -0.214 0.000 0.766 287 A CB 1.914 20.658 19.000 -0.427 0.000 1.328 287 A HN 1.191 nan 8.150 nan 0.000 0.424 288 T N -0.047 114.430 114.554 -0.129 0.000 2.885 288 T HA 0.467 4.829 4.350 0.020 0.000 0.322 288 T C -1.203 173.432 174.700 -0.108 0.000 1.387 288 T CA -0.176 61.862 62.100 -0.103 0.000 1.041 288 T CB 0.964 69.793 68.868 -0.065 0.000 1.287 288 T HN 0.992 nan 8.240 nan 0.000 0.491 289 N N 3.234 121.845 118.700 -0.148 0.000 2.305 289 N HA 0.212 4.964 4.740 0.020 0.000 0.248 289 N C 0.324 175.710 175.510 -0.208 0.000 1.290 289 N CA -0.286 52.626 53.050 -0.230 0.000 0.873 289 N CB 0.507 38.621 38.487 -0.622 0.000 1.261 289 N HN 0.561 nan 8.380 nan 0.000 0.504 290 M N -0.097 119.436 119.600 -0.112 0.000 2.195 290 M HA 0.322 4.814 4.480 0.020 0.000 0.243 290 M C 1.419 177.704 176.300 -0.026 0.000 1.313 290 M CA 0.286 55.536 55.300 -0.083 0.000 1.077 290 M CB 0.643 33.194 32.600 -0.082 0.000 1.664 290 M HN 0.116 nan 8.290 nan 0.000 0.584 291 I N -1.975 118.590 120.570 -0.007 0.000 3.883 291 I HA 0.461 4.643 4.170 0.020 0.000 0.326 291 I C 0.617 176.773 176.117 0.065 0.000 1.283 291 I CA 0.001 61.318 61.300 0.028 0.000 1.161 291 I CB 0.349 38.366 38.000 0.029 0.000 1.012 291 I HN 0.054 nan 8.210 nan 0.000 0.421 292 A N 1.414 124.282 122.820 0.079 0.000 3.308 292 A HA 0.375 4.707 4.320 0.020 0.000 0.275 292 A C 0.919 178.646 177.584 0.239 0.000 0.950 292 A CA 0.107 52.230 52.037 0.143 0.000 0.987 292 A CB -0.732 18.343 19.000 0.125 0.000 1.146 292 A HN 0.397 nan 8.150 nan 0.000 0.488 293 T N -2.770 111.858 114.554 0.123 0.000 3.107 293 T HA 0.297 4.658 4.350 0.020 0.000 0.249 293 T C 0.217 174.639 174.700 -0.463 0.000 1.096 293 T CA 0.758 62.872 62.100 0.024 0.000 1.012 293 T CB -0.462 68.379 68.868 -0.045 0.000 0.977 293 T HN 0.603 nan 8.240 nan 0.000 0.527 294 D N -1.898 118.287 120.400 -0.359 0.000 2.643 294 D HA 0.276 4.928 4.640 0.020 0.000 0.283 294 D C -0.060 176.144 176.300 -0.159 0.000 1.242 294 D CA -1.202 52.412 54.000 -0.645 0.000 0.863 294 D CB -0.067 40.545 40.800 -0.313 0.000 1.382 294 D HN 0.044 nan 8.370 nan 0.000 0.444 295 W N -0.181 121.170 121.300 0.085 0.000 2.374 295 W HA 0.045 4.711 4.660 0.010 0.000 0.288 295 W C 2.522 179.129 176.519 0.146 0.000 1.218 295 W CA 0.761 58.251 57.345 0.241 0.000 1.245 295 W CB -0.056 29.528 29.460 0.206 0.000 1.126 295 W HN 0.414 nan 8.180 nan 0.000 0.545 296 R N 0.808 121.481 120.500 0.289 0.000 2.073 296 R HA -0.204 4.148 4.340 0.020 0.000 0.234 296 R C 1.998 178.426 176.300 0.213 0.000 1.134 296 R CA 1.898 58.121 56.100 0.205 0.000 0.952 296 R CB -0.481 29.921 30.300 0.171 0.000 0.850 296 R HN 0.253 nan 8.270 nan 0.000 0.433 297 Q N -0.233 119.690 119.800 0.205 0.000 2.167 297 Q HA -0.191 4.161 4.340 0.020 0.000 0.202 297 Q C 2.069 178.200 176.000 0.217 0.000 0.970 297 Q CA 1.583 57.516 55.803 0.218 0.000 0.855 297 Q CB -0.087 28.736 28.738 0.142 0.000 0.911 297 Q HN 0.275 nan 8.270 nan 0.000 0.438 298 M N 0.393 120.133 119.600 0.233 0.000 2.086 298 M HA -0.083 4.409 4.480 0.020 0.000 0.261 298 M C 1.931 178.362 176.300 0.218 0.000 1.067 298 M CA 1.997 57.444 55.300 0.245 0.000 1.116 298 M CB -0.772 32.017 32.600 0.314 0.000 1.348 298 M HN 0.186 nan 8.290 nan 0.000 0.407 299 G N -0.832 108.074 108.800 0.178 0.000 2.446 299 G HA2 -0.247 3.725 3.960 0.020 0.000 0.217 299 G HA3 -0.247 3.725 3.960 0.020 0.000 0.217 299 G C 1.451 176.325 174.900 -0.044 0.000 1.168 299 G CA 1.220 46.343 45.100 0.039 0.000 0.771 299 G HN 0.612 nan 8.290 nan 0.000 0.551 300 H N 0.305 119.456 119.070 0.135 0.000 2.457 300 H HA -0.021 4.538 4.556 0.006 0.000 0.294 300 H C 2.870 178.258 175.328 0.101 0.000 1.064 300 H CA 1.495 57.606 56.048 0.104 0.000 1.330 300 H CB -0.516 29.302 29.762 0.093 0.000 1.395 300 H HN 0.258 nan 8.280 nan 0.000 0.541 301 T N 1.812 116.492 114.554 0.209 0.000 2.684 301 T HA -0.114 4.248 4.350 0.020 0.000 0.267 301 T C 2.435 177.213 174.700 0.130 0.000 1.036 301 T CA 0.978 63.172 62.100 0.157 0.000 1.148 301 T CB -0.359 68.597 68.868 0.146 0.000 0.863 301 T HN 0.208 nan 8.240 nan 0.000 0.436 302 L N 0.788 122.090 121.223 0.132 0.000 2.083 302 L HA -0.102 4.250 4.340 0.020 0.000 0.209 302 L C 2.858 179.767 176.870 0.066 0.000 1.083 302 L CA 1.012 55.914 54.840 0.103 0.000 0.752 302 L CB -0.701 41.430 42.059 0.121 0.000 0.899 302 L HN 0.220 nan 8.230 nan 0.000 0.433 303 S N 0.082 115.831 115.700 0.081 0.000 2.368 303 S HA -0.068 4.414 4.470 0.020 0.000 0.224 303 S C 1.916 176.562 174.600 0.077 0.000 1.029 303 S CA 1.181 59.425 58.200 0.073 0.000 0.988 303 S CB -0.172 63.095 63.200 0.113 0.000 0.838 303 S HN 0.303 nan 8.310 nan 0.000 0.462 304 L N 0.626 121.908 121.223 0.099 0.000 2.446 304 L HA 0.154 4.506 4.340 0.020 0.000 0.219 304 L C 0.285 177.198 176.870 0.072 0.000 1.116 304 L CA 0.236 55.129 54.840 0.089 0.000 0.844 304 L CB -0.328 41.796 42.059 0.108 0.000 0.970 304 L HN 0.249 nan 8.230 nan 0.000 0.457 305 Q N -0.243 119.600 119.800 0.071 0.000 2.460 305 Q HA -0.198 4.154 4.340 0.020 0.000 0.311 305 Q C 1.016 177.059 176.000 0.071 0.000 1.396 305 Q CA 0.385 56.226 55.803 0.063 0.000 0.838 305 Q CB -1.651 27.114 28.738 0.044 0.000 1.140 305 Q HN 0.403 nan 8.270 nan 0.000 0.415 306 S N -1.051 114.698 115.700 0.082 0.000 2.436 306 S HA 0.110 4.592 4.470 0.020 0.000 0.228 306 S C 0.866 175.512 174.600 0.078 0.000 1.014 306 S CA 0.784 59.035 58.200 0.085 0.000 0.950 306 S CB 0.406 63.657 63.200 0.085 0.000 0.784 306 S HN 0.577 nan 8.310 nan 0.000 0.504 307 V N -1.052 118.900 119.914 0.063 0.000 2.971 307 V HA 0.524 4.656 4.120 0.020 0.000 0.309 307 V C -0.742 175.369 176.094 0.028 0.000 1.130 307 V CA -0.877 61.446 62.300 0.038 0.000 0.964 307 V CB 2.106 33.934 31.823 0.009 0.000 1.029 307 V HN -0.034 nan 8.190 nan 0.000 0.427 308 D N 2.630 123.032 120.400 0.004 0.000 2.277 308 D HA 0.255 4.907 4.640 0.020 0.000 0.209 308 D C 0.407 176.674 176.300 -0.055 0.000 0.970 308 D CA 1.304 55.301 54.000 -0.005 0.000 0.874 308 D CB 1.084 41.884 40.800 0.000 0.000 0.982 308 D HN 0.574 nan 8.370 nan 0.000 0.504 309 I N 2.534 123.026 120.570 -0.131 0.000 2.495 309 I HA 0.192 4.374 4.170 0.020 0.000 0.277 309 I C -2.689 173.305 176.117 -0.205 0.000 1.045 309 I CA -1.973 59.200 61.300 -0.212 0.000 1.135 309 I CB 2.429 40.167 38.000 -0.437 0.000 1.241 309 I HN -0.376 nan 8.210 nan 0.000 0.469 310 P HA 0.282 nan 4.420 nan 0.000 0.286 310 P C -0.591 176.547 177.300 -0.270 0.000 1.321 310 P CA -0.165 62.844 63.100 -0.151 0.000 0.790 310 P CB 0.590 32.230 31.700 -0.102 0.000 0.897 311 L N 2.865 123.944 121.223 -0.239 0.000 2.290 311 L HA 0.552 4.904 4.340 0.020 0.000 0.284 311 L C 0.701 177.457 176.870 -0.190 0.000 1.078 311 L CA -0.438 54.222 54.840 -0.300 0.000 0.815 311 L CB 0.749 42.721 42.059 -0.145 0.000 1.162 311 L HN 0.329 nan 8.230 nan 0.000 0.435 312 A N 2.585 125.172 122.820 -0.388 0.000 2.586 312 A HA 0.254 4.586 4.320 0.020 0.000 0.320 312 A C -0.598 176.948 177.584 -0.062 0.000 1.281 312 A CA -0.623 51.234 52.037 -0.299 0.000 0.775 312 A CB 0.337 18.832 19.000 -0.841 0.000 1.122 312 A HN 0.648 nan 8.150 nan 0.000 0.470 313 D N 4.126 124.573 120.400 0.078 0.000 2.434 313 D HA 0.128 4.780 4.640 0.020 0.000 0.252 313 D C -1.247 175.271 176.300 0.363 0.000 1.185 313 D CA -1.578 52.424 54.000 0.003 0.000 0.886 313 D CB 1.260 41.765 40.800 -0.492 0.000 1.148 313 D HN 0.216 nan 8.370 nan 0.000 0.483 314 P HA -0.155 nan 4.420 nan 0.000 0.219 314 P C 0.684 178.088 177.300 0.174 0.000 1.146 314 P CA 1.299 64.533 63.100 0.224 0.000 0.808 314 P CB 0.071 31.824 31.700 0.089 0.000 0.779 315 H N -2.207 117.057 119.070 0.322 0.000 2.421 315 H HA -0.001 4.567 4.556 0.019 0.000 0.298 315 H C 1.368 176.859 175.328 0.271 0.000 1.087 315 H CA 1.235 57.439 56.048 0.260 0.000 1.330 315 H CB -0.764 29.123 29.762 0.208 0.000 1.388 315 H HN 0.195 nan 8.280 nan 0.000 0.526 316 F N -3.155 117.033 119.950 0.396 0.000 2.731 316 F HA 0.113 4.652 4.527 0.020 0.000 0.298 316 F C 0.790 176.615 175.800 0.041 0.000 1.106 316 F CA -0.194 57.955 58.000 0.248 0.000 1.329 316 F CB 0.471 39.617 39.000 0.243 0.000 1.100 316 F HN 0.110 nan 8.300 nan 0.000 0.592 317 W N 0.442 121.890 121.300 0.247 0.000 2.871 317 W HA 0.222 4.890 4.660 0.014 0.000 0.340 317 W C 0.400 177.004 176.519 0.141 0.000 1.058 317 W CA 0.842 58.278 57.345 0.153 0.000 1.633 317 W CB 0.224 29.756 29.460 0.119 0.000 1.067 317 W HN -0.051 nan 8.180 nan 0.000 0.554 318 T N -3.212 111.533 114.554 0.318 0.000 0.541 318 T HA -0.306 4.055 4.350 0.020 0.000 0.774 318 T C 0.465 175.298 174.700 0.221 0.000 0.992 318 T CA 0.477 62.708 62.100 0.218 0.000 4.077 318 T CB -0.834 68.152 68.868 0.197 0.000 2.303 318 T HN 0.081 nan 8.240 nan 0.000 0.398 319 M N 1.171 120.859 119.600 0.146 0.000 2.099 319 M HA -0.081 4.411 4.480 0.020 0.000 0.262 319 M C 2.747 179.130 176.300 0.139 0.000 1.067 319 M CA 2.388 57.764 55.300 0.126 0.000 1.124 319 M CB -0.472 32.175 32.600 0.079 0.000 1.353 319 M HN 0.774 nan 8.290 nan 0.000 0.410 320 Q N -0.257 119.632 119.800 0.149 0.000 2.167 320 Q HA -0.076 4.275 4.340 0.020 0.000 0.202 320 Q C 2.185 178.298 176.000 0.188 0.000 0.970 320 Q CA 1.361 57.249 55.803 0.143 0.000 0.855 320 Q CB -0.380 28.442 28.738 0.140 0.000 0.911 320 Q HN 0.674 nan 8.270 nan 0.000 0.438 321 G N 0.127 109.093 108.800 0.276 0.000 2.408 321 G HA2 -0.272 3.700 3.960 0.020 0.000 0.217 321 G HA3 -0.272 3.700 3.960 0.020 0.000 0.217 321 G C 1.452 176.534 174.900 0.303 0.000 1.150 321 G CA 0.858 46.212 45.100 0.423 0.000 0.776 321 G HN 0.340 nan 8.290 nan 0.000 0.542 322 S N -0.246 115.594 115.700 0.233 0.000 2.370 322 S HA -0.122 4.360 4.470 0.020 0.000 0.226 322 S C 2.496 177.082 174.600 -0.023 0.000 1.033 322 S CA 1.590 59.851 58.200 0.101 0.000 1.011 322 S CB -0.279 63.071 63.200 0.250 0.000 0.852 322 S HN 0.117 nan 8.310 nan 0.000 0.457 323 V N 2.114 121.995 119.914 -0.054 0.000 2.407 323 V HA -0.086 4.046 4.120 0.020 0.000 0.248 323 V C 2.742 178.756 176.094 -0.134 0.000 1.055 323 V CA 1.735 63.915 62.300 -0.200 0.000 1.049 323 V CB -0.679 31.073 31.823 -0.118 0.000 0.662 323 V HN 0.426 nan 8.190 nan 0.000 0.455 324 R N -0.353 120.163 120.500 0.028 0.000 2.120 324 R HA -0.115 4.237 4.340 0.020 0.000 0.234 324 R C 2.207 178.582 176.300 0.125 0.000 1.123 324 R CA 1.366 57.529 56.100 0.105 0.000 0.975 324 R CB -0.397 30.068 30.300 0.275 0.000 0.866 324 R HN 0.444 nan 8.270 nan 0.000 0.446 325 V N 0.656 120.593 119.914 0.039 0.000 2.427 325 V HA -0.195 3.937 4.120 0.020 0.000 0.248 325 V C 2.466 178.517 176.094 -0.070 0.000 1.051 325 V CA 1.779 64.029 62.300 -0.084 0.000 1.048 325 V CB -0.649 30.877 31.823 -0.495 0.000 0.666 325 V HN 0.353 nan 8.190 nan 0.000 0.456 326 A N -0.547 122.099 122.820 -0.290 0.000 1.908 326 A HA -0.301 4.031 4.320 0.020 0.000 0.218 326 A C 2.189 179.632 177.584 -0.237 0.000 1.181 326 A CA 2.015 53.719 52.037 -0.554 0.000 0.627 326 A CB -0.476 17.747 19.000 -1.296 0.000 0.818 326 A HN 0.625 nan 8.150 nan 0.000 0.445 327 Q N -1.340 118.350 119.800 -0.183 0.000 2.124 327 Q HA -0.139 4.213 4.340 0.020 0.000 0.202 327 Q C 2.206 178.140 176.000 -0.111 0.000 0.977 327 Q CA 1.524 57.267 55.803 -0.100 0.000 0.850 327 Q CB -0.269 28.417 28.738 -0.087 0.000 0.901 327 Q HN 0.789 nan 8.270 nan 0.000 0.429 328 M N 0.018 119.528 119.600 -0.150 0.000 2.117 328 M HA -0.210 4.282 4.480 0.020 0.000 0.262 328 M C 1.989 178.110 176.300 -0.299 0.000 1.065 328 M CA 1.402 56.493 55.300 -0.349 0.000 1.114 328 M CB -0.188 32.283 32.600 -0.216 0.000 1.361 328 M HN 0.374 nan 8.290 nan 0.000 0.408 329 C N -0.114 119.148 119.300 -0.063 0.000 2.413 329 C HA -0.201 4.271 4.460 0.020 0.000 0.276 329 C C 2.679 177.719 174.990 0.083 0.000 1.236 329 C CA 1.619 60.671 59.018 0.058 0.000 1.735 329 C CB -1.696 26.124 27.740 0.134 0.000 2.031 329 C HN 0.698 nan 8.230 nan 0.000 0.474 330 H N 1.035 120.085 119.070 -0.034 0.000 2.353 330 H HA -0.100 4.469 4.556 0.022 0.000 0.300 330 H C 1.958 177.286 175.328 -0.000 0.000 1.090 330 H CA 2.038 58.077 56.048 -0.016 0.000 1.327 330 H CB -0.243 29.489 29.762 -0.050 0.000 1.383 330 H HN 0.540 nan 8.280 nan 0.000 0.508 331 E N -1.160 118.927 120.200 -0.188 0.000 2.274 331 E HA -0.062 4.300 4.350 0.020 0.000 0.194 331 E C 0.715 177.363 176.600 0.081 0.000 0.996 331 E CA 0.514 56.800 56.400 -0.190 0.000 0.840 331 E CB 0.152 29.731 29.700 -0.201 0.000 0.772 331 E HN 0.446 nan 8.360 nan 0.000 0.491 332 F N -0.990 118.932 119.950 -0.047 0.000 2.704 332 F HA 0.338 4.896 4.527 0.051 0.000 0.304 332 F C 1.529 177.319 175.800 -0.017 0.000 1.094 332 F CA 0.355 58.345 58.000 -0.018 0.000 1.275 332 F CB 0.731 39.744 39.000 0.021 0.000 1.073 332 F HN 0.029 nan 8.300 nan 0.000 0.586 333 G N 0.920 109.811 108.800 0.151 0.000 2.131 333 G HA2 -0.250 3.722 3.960 0.020 0.000 0.223 333 G HA3 -0.250 3.722 3.960 0.020 0.000 0.223 333 G C 0.239 175.202 174.900 0.105 0.000 0.990 333 G CA 0.117 45.273 45.100 0.092 0.000 0.671 333 G HN 0.261 nan 8.290 nan 0.000 0.521 334 L N -0.249 121.053 121.223 0.132 0.000 2.569 334 L HA 0.762 5.114 4.340 0.020 0.000 0.247 334 L C 0.630 177.559 176.870 0.098 0.000 1.135 334 L CA -0.646 54.259 54.840 0.107 0.000 0.812 334 L CB 1.217 43.349 42.059 0.121 0.000 1.431 334 L HN 0.091 nan 8.230 nan 0.000 0.499 335 T N -0.662 113.932 114.554 0.067 0.000 2.847 335 T HA 0.210 4.572 4.350 0.020 0.000 0.291 335 T C -1.092 173.653 174.700 0.076 0.000 0.998 335 T CA -0.340 61.805 62.100 0.075 0.000 0.967 335 T CB 0.784 69.666 68.868 0.023 0.000 0.954 335 T HN 0.419 nan 8.240 nan 0.000 0.441 336 W N 3.222 124.483 121.300 -0.065 0.000 2.251 336 W HA 0.602 5.271 4.660 0.015 0.000 0.329 336 W C 0.311 176.768 176.519 -0.102 0.000 1.234 336 W CA 0.349 57.635 57.345 -0.099 0.000 1.228 336 W CB 0.642 30.045 29.460 -0.094 0.000 1.135 336 W HN 0.832 nan 8.180 nan 0.000 0.576 337 G N 1.789 109.995 108.800 -0.991 0.000 2.687 337 G HA2 0.522 4.494 3.960 0.020 0.000 0.291 337 G HA3 0.522 4.494 3.960 0.020 0.000 0.291 337 G C -1.811 172.035 174.900 -1.757 0.000 1.420 337 G CA -0.784 43.617 45.100 -1.165 0.000 0.796 337 G HN 0.539 nan 8.290 nan 0.000 0.485 338 S N -1.278 113.761 115.700 -1.102 0.000 2.548 338 S HA 0.621 5.103 4.470 0.020 0.000 0.276 338 S C -0.837 173.525 174.600 -0.397 0.000 1.129 338 S CA -0.668 57.080 58.200 -0.754 0.000 0.931 338 S CB 1.052 63.844 63.200 -0.679 0.000 1.068 338 S HN 1.186 nan 8.310 nan 0.000 0.480 339 H N 1.156 120.086 119.070 -0.233 0.000 2.544 339 H HA 0.866 5.433 4.556 0.019 0.000 0.342 339 H C -0.172 175.138 175.328 -0.029 0.000 1.185 339 H CA -0.655 55.330 56.048 -0.105 0.000 1.264 339 H CB 1.450 31.171 29.762 -0.068 0.000 1.607 339 H HN 0.427 nan 8.280 nan 0.000 0.550 340 S N 0.637 116.456 115.700 0.198 0.000 2.667 340 S HA 0.565 5.047 4.470 0.020 0.000 0.292 340 S C -1.257 173.564 174.600 0.369 0.000 1.126 340 S CA -0.911 57.438 58.200 0.248 0.000 0.881 340 S CB 0.824 64.300 63.200 0.461 0.000 1.132 340 S HN 0.873 nan 8.310 nan 0.000 0.492 341 N N 0.667 119.423 118.700 0.092 0.000 2.357 341 N HA 0.405 5.157 4.740 0.020 0.000 0.284 341 N C -1.789 173.368 175.510 -0.588 0.000 1.236 341 N CA -0.886 51.948 53.050 -0.359 0.000 0.774 341 N CB 0.756 39.179 38.487 -0.106 0.000 1.534 341 N HN 0.602 nan 8.380 nan 0.000 0.478 342 N N 0.687 118.812 118.700 -0.959 0.000 2.292 342 N HA 0.056 4.808 4.740 0.020 0.000 0.258 342 N C -0.885 174.338 175.510 -0.478 0.000 1.261 342 N CA 0.812 53.373 53.050 -0.815 0.000 0.845 342 N CB -0.031 37.752 38.487 -1.173 0.000 1.064 342 N HN 0.587 nan 8.380 nan 0.000 0.471 343 H N -0.852 118.047 119.070 -0.284 0.000 2.960 343 H HA 0.584 5.152 4.556 0.020 0.000 0.323 343 H C -1.280 174.191 175.328 0.238 0.000 1.326 343 H CA -1.013 55.079 56.048 0.073 0.000 1.124 343 H CB 0.440 30.290 29.762 0.147 0.000 1.853 343 H HN 0.292 nan 8.280 nan 0.000 0.536 344 F N -0.024 120.244 119.950 0.528 0.000 2.456 344 F HA 0.172 4.711 4.527 0.020 0.000 0.364 344 F C 1.426 177.280 175.800 0.090 0.000 1.092 344 F CA -0.309 57.957 58.000 0.443 0.000 1.125 344 F CB 0.696 39.897 39.000 0.334 0.000 1.543 344 F HN 0.800 nan 8.300 nan 0.000 0.504 345 D N -0.250 120.169 120.400 0.031 0.000 2.312 345 D HA -0.093 4.559 4.640 0.020 0.000 0.211 345 D C 1.833 177.919 176.300 -0.355 0.000 0.964 345 D CA 1.166 54.877 54.000 -0.483 0.000 0.877 345 D CB -0.424 40.108 40.800 -0.447 0.000 0.924 345 D HN 0.420 nan 8.370 nan 0.000 0.515 346 I N 0.654 121.148 120.570 -0.127 0.000 2.233 346 I HA -0.208 3.974 4.170 0.020 0.000 0.243 346 I C 2.243 178.242 176.117 -0.198 0.000 1.093 346 I CA 0.784 61.987 61.300 -0.161 0.000 1.380 346 I CB -0.252 37.711 38.000 -0.061 0.000 1.067 346 I HN -0.073 nan 8.210 nan 0.000 0.413 347 S N 0.977 116.633 115.700 -0.073 0.000 2.382 347 S HA -0.157 4.325 4.470 0.020 0.000 0.228 347 S C 1.918 176.080 174.600 -0.730 0.000 1.027 347 S CA 1.072 59.213 58.200 -0.097 0.000 0.991 347 S CB -0.370 62.896 63.200 0.111 0.000 0.823 347 S HN 0.272 nan 8.310 nan 0.000 0.469 348 L N 2.122 122.878 121.223 -0.778 0.000 2.013 348 L HA -0.130 4.222 4.340 0.020 0.000 0.212 348 L C 2.351 178.612 176.870 -1.015 0.000 1.073 348 L CA 2.142 56.305 54.840 -1.128 0.000 0.753 348 L CB -1.186 40.391 42.059 -0.803 0.000 0.890 348 L HN 0.258 nan 8.230 nan 0.000 0.432 349 A N -0.943 121.376 122.820 -0.836 0.000 1.902 349 A HA -0.244 4.088 4.320 0.020 0.000 0.217 349 A C 2.255 179.728 177.584 -0.186 0.000 1.181 349 A CA 2.179 53.846 52.037 -0.617 0.000 0.623 349 A CB -0.559 18.003 19.000 -0.731 0.000 0.818 349 A HN 0.550 nan 8.150 nan 0.000 0.443 350 M N -0.707 118.734 119.600 -0.264 0.000 2.080 350 M HA -0.116 4.376 4.480 0.020 0.000 0.260 350 M C 2.070 178.361 176.300 -0.016 0.000 1.068 350 M CA 2.146 57.386 55.300 -0.100 0.000 1.109 350 M CB -0.700 31.827 32.600 -0.121 0.000 1.342 350 M HN 0.681 nan 8.290 nan 0.000 0.405 351 F N -1.349 118.620 119.950 0.033 0.000 2.407 351 F HA 0.060 4.599 4.527 0.021 0.000 0.299 351 F C 2.089 177.961 175.800 0.119 0.000 1.097 351 F CA 0.726 58.776 58.000 0.082 0.000 1.422 351 F CB -1.616 37.437 39.000 0.089 0.000 1.067 351 F HN -0.085 nan 8.300 nan 0.000 0.539 352 T N -0.144 114.458 114.554 0.079 0.000 2.708 352 T HA -0.203 4.159 4.350 0.020 0.000 0.266 352 T C 1.478 176.198 174.700 0.034 0.000 1.037 352 T CA 2.316 64.483 62.100 0.112 0.000 1.146 352 T CB -0.565 68.366 68.868 0.104 0.000 0.865 352 T HN 0.456 nan 8.240 nan 0.000 0.435 353 H N -0.071 119.062 119.070 0.105 0.000 2.423 353 H HA 0.046 4.614 4.556 0.019 0.000 0.297 353 H C 2.255 177.614 175.328 0.052 0.000 1.075 353 H CA 0.990 57.080 56.048 0.069 0.000 1.342 353 H CB -0.306 29.482 29.762 0.043 0.000 1.395 353 H HN 0.104 nan 8.280 nan 0.000 0.530 354 V N 0.446 120.480 119.914 0.199 0.000 2.307 354 V HA -0.250 3.882 4.120 0.020 0.000 0.245 354 V C 2.543 178.655 176.094 0.030 0.000 1.045 354 V CA 1.694 64.071 62.300 0.129 0.000 1.024 354 V CB -0.912 31.041 31.823 0.217 0.000 0.651 354 V HN 0.583 nan 8.190 nan 0.000 0.449 355 A N -0.039 122.891 122.820 0.184 0.000 1.972 355 A HA -0.101 4.231 4.320 0.020 0.000 0.219 355 A C 2.359 179.930 177.584 -0.021 0.000 1.169 355 A CA 1.871 53.989 52.037 0.136 0.000 0.635 355 A CB -0.706 18.514 19.000 0.367 0.000 0.810 355 A HN 0.592 nan 8.150 nan 0.000 0.446 356 A N -0.683 122.138 122.820 0.001 0.000 2.070 356 A HA 0.238 4.570 4.320 0.020 0.000 0.220 356 A C 2.074 179.617 177.584 -0.069 0.000 1.159 356 A CA 1.745 53.759 52.037 -0.038 0.000 0.656 356 A CB -0.506 18.463 19.000 -0.051 0.000 0.800 356 A HN 1.095 nan 8.150 nan 0.000 0.453 357 A N -1.268 121.492 122.820 -0.100 0.000 2.348 357 A HA 0.661 4.993 4.320 0.020 0.000 0.224 357 A C 1.081 178.521 177.584 -0.241 0.000 1.227 357 A CA 0.562 52.522 52.037 -0.129 0.000 0.885 357 A CB -0.416 18.536 19.000 -0.080 0.000 0.933 357 A HN 0.849 nan 8.150 nan 0.000 0.506 358 A N 1.887 124.492 122.820 -0.358 0.000 2.409 358 A HA 0.601 4.932 4.320 0.020 0.000 0.267 358 A C -2.580 174.805 177.584 -0.333 0.000 1.127 358 A CA -1.292 50.430 52.037 -0.525 0.000 0.795 358 A CB 0.013 18.477 19.000 -0.892 0.000 1.061 358 A HN 0.239 nan 8.150 nan 0.000 0.502 359 P HA 0.507 nan 4.420 nan 0.000 0.282 359 P C 0.826 177.827 177.300 -0.498 0.000 1.259 359 P CA 1.093 63.960 63.100 -0.389 0.000 0.826 359 P CB 1.137 32.571 31.700 -0.443 0.000 1.064 360 G N 0.917 109.377 108.800 -0.567 0.000 2.552 360 G HA2 -0.202 3.770 3.960 0.020 0.000 0.265 360 G HA3 -0.202 3.770 3.960 0.020 0.000 0.265 360 G C -0.551 174.277 174.900 -0.120 0.000 1.234 360 G CA -0.234 44.612 45.100 -0.424 0.000 0.944 360 G HN 0.787 nan 8.290 nan 0.000 0.568 361 K N 1.499 121.906 120.400 0.011 0.000 2.264 361 K HA 0.518 4.849 4.320 0.020 0.000 0.277 361 K C 0.641 177.292 176.600 0.086 0.000 1.067 361 K CA -0.403 55.914 56.287 0.050 0.000 0.900 361 K CB -0.167 32.376 32.500 0.072 0.000 1.124 361 K HN 0.798 nan 8.250 nan 0.000 0.469 362 I N -0.366 120.264 120.570 0.100 0.000 2.947 362 I HA 0.471 4.652 4.170 0.020 0.000 0.314 362 I C 0.418 176.607 176.117 0.120 0.000 1.028 362 I CA -0.904 60.502 61.300 0.178 0.000 1.077 362 I CB 1.738 39.925 38.000 0.313 0.000 1.274 362 I HN 0.306 nan 8.210 nan 0.000 0.485 363 T N 1.388 115.993 114.554 0.085 0.000 2.897 363 T HA 0.650 5.012 4.350 0.020 0.000 0.278 363 T C -0.003 174.709 174.700 0.021 0.000 0.981 363 T CA -0.351 61.767 62.100 0.031 0.000 0.973 363 T CB 1.082 69.932 68.868 -0.030 0.000 1.092 363 T HN 0.857 nan 8.240 nan 0.000 0.543 364 A N 2.539 125.367 122.820 0.013 0.000 2.488 364 A HA 0.483 4.815 4.320 0.020 0.000 0.249 364 A C 0.507 178.051 177.584 -0.066 0.000 1.083 364 A CA -0.434 51.598 52.037 -0.009 0.000 0.768 364 A CB -0.764 18.216 19.000 -0.034 0.000 1.017 364 A HN 0.854 nan 8.150 nan 0.000 0.496 365 I N -0.242 120.290 120.570 -0.063 0.000 2.612 365 I HA 0.462 4.644 4.170 0.020 0.000 0.295 365 I C -0.597 175.422 176.117 -0.164 0.000 1.011 365 I CA -0.931 60.272 61.300 -0.162 0.000 1.326 365 I CB 0.814 38.711 38.000 -0.171 0.000 1.427 365 I HN 0.411 nan 8.210 nan 0.000 0.537 366 D N 2.842 123.111 120.400 -0.217 0.000 2.382 366 D HA 0.357 5.009 4.640 0.020 0.000 0.240 366 D C -0.072 176.169 176.300 -0.097 0.000 1.146 366 D CA 0.355 54.269 54.000 -0.142 0.000 0.897 366 D CB 1.259 42.044 40.800 -0.024 0.000 1.197 366 D HN 0.763 nan 8.370 nan 0.000 0.432 367 T N -0.172 114.472 114.554 0.151 0.000 2.942 367 T HA 0.253 4.615 4.350 0.020 0.000 0.327 367 T C -0.439 174.570 174.700 0.515 0.000 1.360 367 T CA -0.535 61.819 62.100 0.424 0.000 1.055 367 T CB 0.773 70.007 68.868 0.610 0.000 1.261 367 T HN 0.345 nan 8.240 nan 0.000 0.485 368 H N 2.103 121.485 119.070 0.520 0.000 2.586 368 H HA 0.292 4.860 4.556 0.019 0.000 0.273 368 H C 1.490 176.996 175.328 0.297 0.000 0.997 368 H CA 0.130 56.411 56.048 0.389 0.000 1.177 368 H CB 0.227 30.053 29.762 0.107 0.000 1.471 368 H HN 0.615 nan 8.280 nan 0.000 0.538 369 W N 2.133 123.505 121.300 0.119 0.000 2.274 369 W HA -0.337 4.334 4.660 0.019 0.000 0.314 369 W C 1.522 178.062 176.519 0.036 0.000 1.254 369 W CA 2.136 59.486 57.345 0.008 0.000 1.265 369 W CB -0.232 29.334 29.460 0.175 0.000 1.141 369 W HN 0.383 nan 8.180 nan 0.000 0.505 370 I N -2.270 118.189 120.570 -0.184 0.000 2.423 370 I HA -0.251 3.931 4.170 0.020 0.000 0.254 370 I C 1.921 178.019 176.117 -0.031 0.000 1.151 370 I CA 1.779 62.840 61.300 -0.397 0.000 1.421 370 I CB -1.359 36.150 38.000 -0.819 0.000 1.079 370 I HN -0.062 nan 8.210 nan 0.000 0.431 371 W N 1.161 122.528 121.300 0.112 0.000 2.418 371 W HA -0.063 4.609 4.660 0.019 0.000 0.292 371 W C 2.419 178.872 176.519 -0.111 0.000 1.213 371 W CA 0.617 57.984 57.345 0.035 0.000 1.283 371 W CB -0.338 29.075 29.460 -0.078 0.000 1.119 371 W HN 0.154 nan 8.180 nan 0.000 0.542 372 Q N -0.218 119.514 119.800 -0.114 0.000 2.378 372 Q HA 0.041 4.393 4.340 0.020 0.000 0.216 372 Q C 0.920 176.620 176.000 -0.499 0.000 0.892 372 Q CA 0.379 56.045 55.803 -0.229 0.000 0.931 372 Q CB -0.230 28.378 28.738 -0.216 0.000 1.086 372 Q HN 0.037 nan 8.270 nan 0.000 0.528 373 E N -0.198 119.480 120.200 -0.869 0.000 2.437 373 E HA 0.125 4.487 4.350 0.020 0.000 0.263 373 E C 0.759 177.217 176.600 -0.236 0.000 1.030 373 E CA 1.212 57.100 56.400 -0.854 0.000 0.934 373 E CB 0.355 29.534 29.700 -0.867 0.000 0.943 373 E HN 0.341 nan 8.360 nan 0.000 0.444 374 G N 4.545 113.302 108.800 -0.071 0.000 2.729 374 G HA2 -0.370 3.602 3.960 0.020 0.000 0.216 374 G HA3 -0.370 3.602 3.960 0.020 0.000 0.216 374 G C 0.708 175.540 174.900 -0.113 0.000 1.252 374 G CA 0.531 45.582 45.100 -0.082 0.000 0.751 374 G HN 0.709 nan 8.290 nan 0.000 0.527 375 N N 0.150 118.761 118.700 -0.149 0.000 2.187 375 N HA 0.366 5.118 4.740 0.020 0.000 0.212 375 N C 0.269 175.817 175.510 0.064 0.000 1.152 375 N CA -0.121 52.891 53.050 -0.064 0.000 0.872 375 N CB 0.512 38.917 38.487 -0.136 0.000 1.025 375 N HN 0.560 nan 8.380 nan 0.000 0.514 376 Q N 0.989 120.869 119.800 0.133 0.000 2.345 376 Q HA 0.485 4.837 4.340 0.020 0.000 0.275 376 Q C -1.285 174.986 176.000 0.451 0.000 1.063 376 Q CA -0.960 55.029 55.803 0.309 0.000 0.819 376 Q CB 2.693 31.657 28.738 0.377 0.000 1.356 376 Q HN 0.357 nan 8.270 nan 0.000 0.418 377 R N 0.824 121.610 120.500 0.476 0.000 2.739 377 R HA 0.329 4.681 4.340 0.020 0.000 0.266 377 R C -1.285 175.146 176.300 0.218 0.000 1.044 377 R CA -0.736 55.647 56.100 0.470 0.000 0.885 377 R CB 0.242 30.772 30.300 0.384 0.000 1.260 377 R HN 0.635 nan 8.270 nan 0.000 0.477 378 L N 0.278 121.564 121.223 0.104 0.000 2.672 378 L HA 0.213 4.565 4.340 0.020 0.000 0.236 378 L C 0.635 177.491 176.870 -0.024 0.000 1.092 378 L CA 0.444 55.239 54.840 -0.075 0.000 0.887 378 L CB 1.067 42.970 42.059 -0.259 0.000 1.168 378 L HN 0.904 nan 8.230 nan 0.000 0.502 379 T N -3.817 110.752 114.554 0.025 0.000 2.952 379 T HA 0.278 4.640 4.350 0.020 0.000 0.286 379 T C 0.901 175.638 174.700 0.062 0.000 1.024 379 T CA -0.792 61.319 62.100 0.018 0.000 1.029 379 T CB 1.879 70.738 68.868 -0.014 0.000 1.094 379 T HN -0.038 nan 8.240 nan 0.000 0.515 380 K N 0.496 120.929 120.400 0.055 0.000 2.148 380 K HA -0.002 4.330 4.320 0.020 0.000 0.204 380 K C 0.308 176.966 176.600 0.098 0.000 1.050 380 K CA 1.137 57.466 56.287 0.070 0.000 0.942 380 K CB 0.050 32.583 32.500 0.055 0.000 0.724 380 K HN 0.705 nan 8.250 nan 0.000 0.446 381 E N 1.226 121.494 120.200 0.114 0.000 2.923 381 E HA 0.208 4.570 4.350 0.020 0.000 0.266 381 E C -2.691 174.031 176.600 0.203 0.000 1.157 381 E CA -1.809 54.682 56.400 0.152 0.000 0.795 381 E CB 1.499 31.281 29.700 0.137 0.000 1.454 381 E HN -0.015 nan 8.360 nan 0.000 0.386 382 P HA -0.068 nan 4.420 nan 0.000 0.264 382 P C -0.306 177.191 177.300 0.329 0.000 1.183 382 P CA 0.231 63.458 63.100 0.212 0.000 0.763 382 P CB 0.231 32.148 31.700 0.362 0.000 0.807 383 F N 1.640 121.585 119.950 -0.008 0.000 2.586 383 F HA 0.088 4.626 4.527 0.019 0.000 0.344 383 F C 1.484 177.342 175.800 0.096 0.000 1.188 383 F CA 0.041 58.044 58.000 0.005 0.000 1.359 383 F CB -0.359 38.600 39.000 -0.069 0.000 1.129 383 F HN 0.351 nan 8.300 nan 0.000 0.609 384 E N 1.509 121.878 120.200 0.281 0.000 2.277 384 E HA 0.512 4.873 4.350 0.020 0.000 0.266 384 E C -1.051 175.675 176.600 0.209 0.000 0.901 384 E CA -0.826 55.736 56.400 0.270 0.000 0.782 384 E CB 2.552 32.370 29.700 0.198 0.000 1.228 384 E HN 0.321 nan 8.360 nan 0.000 0.424 385 I N 2.384 123.103 120.570 0.248 0.000 2.307 385 I HA 0.253 4.435 4.170 0.020 0.000 0.289 385 I C -0.360 175.781 176.117 0.039 0.000 1.021 385 I CA -0.338 61.045 61.300 0.139 0.000 1.224 385 I CB 0.516 38.592 38.000 0.127 0.000 1.376 385 I HN 0.174 nan 8.210 nan 0.000 0.470 386 K N 4.523 124.899 120.400 -0.040 0.000 2.471 386 K HA 0.500 4.832 4.320 0.020 0.000 0.252 386 K C 0.426 176.941 176.600 -0.142 0.000 0.938 386 K CA -0.738 55.488 56.287 -0.101 0.000 0.796 386 K CB 2.095 34.556 32.500 -0.065 0.000 1.161 386 K HN 0.814 nan 8.250 nan 0.000 0.425 387 G N 1.583 110.257 108.800 -0.210 0.000 2.198 387 G HA2 -0.270 3.702 3.960 0.020 0.000 0.260 387 G HA3 -0.270 3.702 3.960 0.020 0.000 0.260 387 G C 0.747 175.538 174.900 -0.182 0.000 1.025 387 G CA 0.690 45.681 45.100 -0.182 0.000 0.769 387 G HN 1.202 nan 8.290 nan 0.000 0.507 388 G N -2.123 106.488 108.800 -0.314 0.000 2.168 388 G HA2 -0.164 3.808 3.960 0.020 0.000 0.257 388 G HA3 -0.164 3.808 3.960 0.020 0.000 0.257 388 G C 0.258 175.116 174.900 -0.070 0.000 0.997 388 G CA 0.974 45.902 45.100 -0.287 0.000 0.708 388 G HN 1.451 nan 8.290 nan 0.000 0.520 389 L N -0.884 120.301 121.223 -0.064 0.000 2.323 389 L HA 0.824 5.176 4.340 0.020 0.000 0.265 389 L C -0.032 176.850 176.870 0.019 0.000 1.012 389 L CA -1.429 53.410 54.840 -0.001 0.000 0.820 389 L CB 2.476 44.526 42.059 -0.016 0.000 1.334 389 L HN -0.071 nan 8.230 nan 0.000 0.427 390 V N 1.152 121.093 119.914 0.044 0.000 2.531 390 V HA 0.349 4.481 4.120 0.020 0.000 0.301 390 V C -0.561 175.520 176.094 -0.023 0.000 1.034 390 V CA -0.892 61.435 62.300 0.045 0.000 0.865 390 V CB 1.744 33.643 31.823 0.128 0.000 0.995 390 V HN 0.600 nan 8.190 nan 0.000 0.424 391 Q N 2.635 122.382 119.800 -0.089 0.000 2.304 391 Q HA 0.344 4.696 4.340 0.020 0.000 0.260 391 Q C -0.339 175.510 176.000 -0.252 0.000 0.965 391 Q CA -0.229 55.486 55.803 -0.148 0.000 0.898 391 Q CB 1.759 30.401 28.738 -0.159 0.000 1.196 391 Q HN 0.555 nan 8.270 nan 0.000 0.402 392 V N 5.935 125.722 119.914 -0.212 0.000 2.427 392 V HA 0.147 4.279 4.120 0.020 0.000 0.268 392 V C -1.845 174.086 176.094 -0.272 0.000 1.046 392 V CA -1.317 60.810 62.300 -0.288 0.000 0.970 392 V CB 0.491 32.188 31.823 -0.210 0.000 1.001 392 V HN 0.627 nan 8.190 nan 0.000 0.476 393 P HA 0.299 nan 4.420 nan 0.000 0.269 393 P C 0.700 177.965 177.300 -0.058 0.000 1.215 393 P CA 0.109 63.087 63.100 -0.204 0.000 0.780 393 P CB 0.735 32.323 31.700 -0.187 0.000 0.898 394 E N 1.987 122.156 120.200 -0.052 0.000 2.250 394 E HA -0.038 4.324 4.350 0.020 0.000 0.192 394 E C 0.599 177.197 176.600 -0.003 0.000 0.986 394 E CA 0.517 56.905 56.400 -0.021 0.000 0.849 394 E CB -0.615 29.065 29.700 -0.032 0.000 0.797 394 E HN 0.500 nan 8.360 nan 0.000 0.482 395 K N 1.808 122.204 120.400 -0.006 0.000 2.561 395 K HA 0.116 4.448 4.320 0.020 0.000 0.280 395 K C -2.334 174.266 176.600 -0.002 0.000 0.975 395 K CA -1.261 55.023 56.287 -0.005 0.000 1.024 395 K CB 0.224 32.725 32.500 0.002 0.000 0.883 395 K HN 0.175 nan 8.250 nan 0.000 0.496 396 P HA -0.063 nan 4.420 nan 0.000 0.269 396 P C 0.630 177.880 177.300 -0.084 0.000 1.217 396 P CA 0.456 63.520 63.100 -0.060 0.000 0.783 396 P CB 0.526 32.177 31.700 -0.081 0.000 0.898 397 G N 0.621 109.351 108.800 -0.117 0.000 2.539 397 G HA2 -0.293 3.679 3.960 0.020 0.000 0.256 397 G HA3 -0.293 3.679 3.960 0.020 0.000 0.256 397 G C 0.659 175.419 174.900 -0.233 0.000 1.233 397 G CA 0.117 45.123 45.100 -0.157 0.000 0.936 397 G HN 0.481 nan 8.290 nan 0.000 0.571 398 L N 1.732 122.832 121.223 -0.206 0.000 2.395 398 L HA 0.345 4.697 4.340 0.020 0.000 0.218 398 L C 2.402 179.344 176.870 0.120 0.000 1.130 398 L CA 1.248 55.947 54.840 -0.236 0.000 0.826 398 L CB -0.408 41.571 42.059 -0.132 0.000 0.941 398 L HN 2.148 nan 8.230 nan 0.000 0.451 399 G N 0.667 109.528 108.800 0.102 0.000 2.137 399 G HA2 -0.221 3.751 3.960 0.020 0.000 0.237 399 G HA3 -0.221 3.751 3.960 0.020 0.000 0.237 399 G C 0.096 175.159 174.900 0.272 0.000 1.002 399 G CA 0.217 45.445 45.100 0.214 0.000 0.702 399 G HN 0.296 nan 8.290 nan 0.000 0.515 400 V N -3.939 116.055 119.914 0.134 0.000 3.113 400 V HA 0.962 5.094 4.120 0.020 0.000 0.316 400 V C -0.415 175.697 176.094 0.031 0.000 1.125 400 V CA -1.360 60.992 62.300 0.086 0.000 1.026 400 V CB 2.231 34.030 31.823 -0.039 0.000 1.080 400 V HN 0.227 nan 8.190 nan 0.000 0.444 401 E N 1.855 122.070 120.200 0.026 0.000 2.220 401 E HA 0.462 4.824 4.350 0.020 0.000 0.256 401 E C -0.896 175.703 176.600 -0.002 0.000 0.881 401 E CA -0.603 55.803 56.400 0.010 0.000 0.766 401 E CB 2.481 32.194 29.700 0.021 0.000 1.187 401 E HN 0.809 nan 8.360 nan 0.000 0.419 402 I N 2.390 122.949 120.570 -0.019 0.000 2.752 402 I HA -0.051 4.131 4.170 0.020 0.000 0.287 402 I C -0.065 176.041 176.117 -0.018 0.000 1.188 402 I CA 0.537 61.819 61.300 -0.030 0.000 1.427 402 I CB 0.443 38.415 38.000 -0.046 0.000 1.365 402 I HN 0.434 nan 8.210 nan 0.000 0.585 403 D N 8.129 128.517 120.400 -0.019 0.000 2.467 403 D HA 0.119 4.771 4.640 0.020 0.000 0.220 403 D C 0.828 177.114 176.300 -0.024 0.000 1.103 403 D CA -0.399 53.597 54.000 -0.008 0.000 0.886 403 D CB 1.037 41.843 40.800 0.010 0.000 1.025 403 D HN 0.519 nan 8.370 nan 0.000 0.514 404 M N 1.612 121.198 119.600 -0.024 0.000 2.279 404 M HA -0.135 4.357 4.480 0.020 0.000 0.264 404 M C 1.547 177.833 176.300 -0.024 0.000 1.062 404 M CA 0.987 56.267 55.300 -0.033 0.000 1.099 404 M CB -0.561 32.019 32.600 -0.033 0.000 1.394 404 M HN 0.503 nan 8.290 nan 0.000 0.426 405 D N -0.165 120.230 120.400 -0.008 0.000 2.117 405 D HA -0.179 4.473 4.640 0.020 0.000 0.198 405 D C 1.778 178.082 176.300 0.006 0.000 0.982 405 D CA 1.027 55.029 54.000 0.003 0.000 0.828 405 D CB 0.271 41.079 40.800 0.013 0.000 0.967 405 D HN 0.278 nan 8.370 nan 0.000 0.464 406 Q N 0.539 120.340 119.800 0.002 0.000 2.050 406 Q HA -0.087 4.265 4.340 0.020 0.000 0.202 406 Q C 2.582 178.558 176.000 -0.041 0.000 0.980 406 Q CA 0.562 56.367 55.803 0.002 0.000 0.840 406 Q CB -0.538 28.205 28.738 0.009 0.000 0.898 406 Q HN 0.268 nan 8.270 nan 0.000 0.424 407 V N 1.205 121.075 119.914 -0.074 0.000 2.255 407 V HA -0.298 3.834 4.120 0.020 0.000 0.247 407 V C 2.401 178.467 176.094 -0.047 0.000 1.051 407 V CA 1.683 63.916 62.300 -0.112 0.000 1.018 407 V CB -0.558 31.195 31.823 -0.117 0.000 0.641 407 V HN 0.349 nan 8.190 nan 0.000 0.445 408 M N -0.506 119.084 119.600 -0.017 0.000 2.149 408 M HA -0.201 4.291 4.480 0.020 0.000 0.261 408 M C 2.118 178.456 176.300 0.064 0.000 1.064 408 M CA 1.759 57.080 55.300 0.035 0.000 1.102 408 M CB -1.212 31.398 32.600 0.018 0.000 1.369 408 M HN 0.319 nan 8.290 nan 0.000 0.408 409 K N 0.134 120.557 120.400 0.038 0.000 2.057 409 K HA -0.030 4.302 4.320 0.020 0.000 0.206 409 K C 2.139 178.769 176.600 0.049 0.000 1.050 409 K CA 1.477 57.793 56.287 0.049 0.000 0.935 409 K CB -0.253 32.283 32.500 0.060 0.000 0.715 409 K HN 0.313 nan 8.250 nan 0.000 0.439 410 A N 0.544 123.380 122.820 0.026 0.000 1.930 410 A HA -0.210 4.122 4.320 0.020 0.000 0.217 410 A C 1.947 179.548 177.584 0.028 0.000 1.175 410 A CA 1.756 53.799 52.037 0.011 0.000 0.627 410 A CB -0.713 18.219 19.000 -0.113 0.000 0.815 410 A HN 0.383 nan 8.150 nan 0.000 0.443 411 H N 0.243 119.272 119.070 -0.069 0.000 2.293 411 H HA -0.114 4.454 4.556 0.020 0.000 0.300 411 H C 1.883 177.220 175.328 0.014 0.000 1.082 411 H CA 2.203 58.214 56.048 -0.062 0.000 1.308 411 H CB -0.280 29.433 29.762 -0.081 0.000 1.375 411 H HN 0.597 nan 8.280 nan 0.000 0.495 412 E N -0.424 119.734 120.200 -0.069 0.000 2.097 412 E HA -0.185 4.177 4.350 0.020 0.000 0.196 412 E C 2.201 178.738 176.600 -0.104 0.000 1.000 412 E CA 1.199 57.533 56.400 -0.110 0.000 0.804 412 E CB -0.204 29.484 29.700 -0.020 0.000 0.740 412 E HN 0.342 nan 8.360 nan 0.000 0.454 413 L N -0.020 121.169 121.223 -0.056 0.000 2.083 413 L HA -0.181 4.171 4.340 0.020 0.000 0.209 413 L C 2.168 178.962 176.870 -0.126 0.000 1.083 413 L CA 1.602 56.394 54.840 -0.081 0.000 0.752 413 L CB -0.440 41.546 42.059 -0.121 0.000 0.899 413 L HN 0.160 nan 8.230 nan 0.000 0.433 414 Y N -0.479 119.667 120.300 -0.256 0.000 2.163 414 Y HA -0.261 4.301 4.550 0.020 0.000 0.288 414 Y C 2.547 178.303 175.900 -0.240 0.000 1.136 414 Y CA 1.874 59.823 58.100 -0.251 0.000 1.147 414 Y CB -0.078 38.260 38.460 -0.204 0.000 0.987 414 Y HN 0.257 nan 8.280 nan 0.000 0.509 415 Q N 0.782 120.518 119.800 -0.108 0.000 2.050 415 Q HA -0.247 4.105 4.340 0.020 0.000 0.202 415 Q C 2.272 178.135 176.000 -0.228 0.000 0.980 415 Q CA 1.962 57.658 55.803 -0.179 0.000 0.840 415 Q CB -0.518 28.079 28.738 -0.235 0.000 0.898 415 Q HN 0.531 nan 8.270 nan 0.000 0.424 416 K N 0.303 120.555 120.400 -0.247 0.000 2.032 416 K HA -0.199 4.133 4.320 0.020 0.000 0.209 416 K C 1.337 177.629 176.600 -0.514 0.000 1.048 416 K CA 1.638 57.709 56.287 -0.361 0.000 0.927 416 K CB -0.108 32.145 32.500 -0.411 0.000 0.712 416 K HN 0.271 nan 8.250 nan 0.000 0.441 417 H N -1.111 117.754 119.070 -0.342 0.000 2.533 417 H HA 0.219 4.787 4.556 0.020 0.000 0.271 417 H C 0.542 175.682 175.328 -0.312 0.000 1.000 417 H CA 0.569 56.412 56.048 -0.342 0.000 1.149 417 H CB 0.585 30.035 29.762 -0.520 0.000 1.375 417 H HN 0.535 nan 8.280 nan 0.000 0.582 418 G N 1.291 109.928 108.800 -0.273 0.000 2.366 418 G HA2 -0.296 3.676 3.960 0.020 0.000 0.299 418 G HA3 -0.296 3.676 3.960 0.020 0.000 0.299 418 G C 0.060 174.752 174.900 -0.347 0.000 1.020 418 G CA 0.158 45.094 45.100 -0.274 0.000 1.026 418 G HN 0.315 nan 8.290 nan 0.000 0.512 419 L N -0.979 119.873 121.223 -0.618 0.000 2.479 419 L HA 0.733 5.085 4.340 0.020 0.000 0.249 419 L C 1.443 177.923 176.870 -0.650 0.000 1.178 419 L CA 0.275 54.738 54.840 -0.629 0.000 0.811 419 L CB 1.033 42.695 42.059 -0.662 0.000 1.187 419 L HN 0.519 nan 8.230 nan 0.000 0.480 420 G N -0.827 107.804 108.800 -0.281 0.000 2.825 420 G HA2 0.421 4.393 3.960 0.020 0.000 0.100 420 G HA3 0.421 4.393 3.960 0.020 0.000 0.100 420 G C -1.441 173.492 174.900 0.056 0.000 1.195 420 G CA 0.213 45.296 45.100 -0.028 0.000 1.317 420 G HN 0.771 nan 8.290 nan 0.000 0.632 421 A N 0.239 123.081 122.820 0.037 0.000 2.340 421 A HA 0.708 5.039 4.320 0.020 0.000 0.268 421 A C 0.670 178.266 177.584 0.019 0.000 1.100 421 A CA -0.077 51.984 52.037 0.040 0.000 0.803 421 A CB 0.451 19.474 19.000 0.038 0.000 1.043 421 A HN 0.774 nan 8.150 nan 0.000 0.488 422 R N 0.667 121.178 120.500 0.018 0.000 2.570 422 R HA 0.175 4.527 4.340 0.020 0.000 0.277 422 R C -1.340 174.956 176.300 -0.006 0.000 1.039 422 R CA 0.368 56.465 56.100 -0.004 0.000 1.065 422 R CB 0.289 30.573 30.300 -0.025 0.000 0.964 422 R HN 0.713 nan 8.270 nan 0.000 0.428 423 D N 2.634 123.032 120.400 -0.004 0.000 2.386 423 D HA 0.144 4.796 4.640 0.020 0.000 0.247 423 D C -0.884 175.434 176.300 0.030 0.000 1.336 423 D CA -0.540 53.470 54.000 0.018 0.000 0.976 423 D CB 1.293 42.112 40.800 0.031 0.000 1.257 423 D HN 0.467 nan 8.370 nan 0.000 0.570 424 D N 2.031 122.453 120.400 0.037 0.000 2.349 424 D HA 0.134 4.786 4.640 0.020 0.000 0.224 424 D C 1.725 178.053 176.300 0.047 0.000 1.029 424 D CA 0.435 54.461 54.000 0.043 0.000 0.879 424 D CB 0.488 41.323 40.800 0.058 0.000 0.906 424 D HN 0.476 nan 8.370 nan 0.000 0.528 425 A N 0.609 123.518 122.820 0.149 0.000 1.970 425 A HA -0.060 4.272 4.320 0.020 0.000 0.216 425 A C 2.024 179.683 177.584 0.124 0.000 1.170 425 A CA 0.504 52.700 52.037 0.265 0.000 0.645 425 A CB -0.335 18.913 19.000 0.414 0.000 0.816 425 A HN 0.130 nan 8.150 nan 0.000 0.447 426 M N 0.461 120.115 119.600 0.089 0.000 2.082 426 M HA -0.188 4.304 4.480 0.020 0.000 0.258 426 M C 2.091 178.438 176.300 0.077 0.000 1.071 426 M CA 2.418 57.759 55.300 0.069 0.000 1.103 426 M CB -1.375 31.276 32.600 0.085 0.000 1.307 426 M HN 0.380 nan 8.290 nan 0.000 0.409 427 G N 0.454 109.327 108.800 0.122 0.000 2.442 427 G HA2 -0.241 3.731 3.960 0.020 0.000 0.219 427 G HA3 -0.241 3.731 3.960 0.020 0.000 0.219 427 G C 1.410 176.363 174.900 0.089 0.000 1.141 427 G CA 0.967 46.195 45.100 0.214 0.000 0.763 427 G HN 0.441 nan 8.290 nan 0.000 0.554 428 M N 0.449 119.966 119.600 -0.137 0.000 2.267 428 M HA -0.064 4.427 4.480 0.020 0.000 0.263 428 M C 2.562 178.782 176.300 -0.133 0.000 1.063 428 M CA 0.834 55.952 55.300 -0.304 0.000 1.090 428 M CB -0.986 31.103 32.600 -0.851 0.000 1.392 428 M HN 0.194 nan 8.290 nan 0.000 0.422 429 Q N -0.376 119.347 119.800 -0.128 0.000 2.197 429 Q HA -0.173 4.179 4.340 0.020 0.000 0.207 429 Q C 1.862 177.698 176.000 -0.273 0.000 0.984 429 Q CA 1.733 57.408 55.803 -0.214 0.000 0.869 429 Q CB -0.962 27.572 28.738 -0.339 0.000 0.906 429 Q HN 0.599 nan 8.270 nan 0.000 0.426 430 Y N -0.195 120.115 120.300 0.017 0.000 2.395 430 Y HA -0.018 4.544 4.550 0.020 0.000 0.293 430 Y C 2.160 178.059 175.900 -0.002 0.000 1.123 430 Y CA 0.503 58.611 58.100 0.014 0.000 1.227 430 Y CB -0.183 38.289 38.460 0.020 0.000 1.012 430 Y HN 0.005 nan 8.280 nan 0.000 0.552 431 L N -0.968 120.307 121.223 0.088 0.000 2.168 431 L HA 0.121 4.473 4.340 0.020 0.000 0.203 431 L C 0.175 177.061 176.870 0.027 0.000 1.078 431 L CA 0.826 55.684 54.840 0.030 0.000 0.780 431 L CB 0.149 42.184 42.059 -0.040 0.000 0.939 431 L HN -0.003 nan 8.230 nan 0.000 0.451 432 I N 0.748 121.336 120.570 0.030 0.000 2.560 432 I HA 0.234 4.416 4.170 0.020 0.000 0.278 432 I C -2.516 173.661 176.117 0.100 0.000 1.089 432 I CA -1.764 59.586 61.300 0.083 0.000 1.086 432 I CB 2.027 40.121 38.000 0.156 0.000 1.202 432 I HN -0.215 nan 8.210 nan 0.000 0.471 433 P HA 0.120 nan 4.420 nan 0.000 0.264 433 P C 1.003 178.346 177.300 0.070 0.000 1.193 433 P CA 0.862 63.982 63.100 0.033 0.000 0.763 433 P CB 0.841 32.549 31.700 0.014 0.000 0.810 434 G N 2.036 110.880 108.800 0.074 0.000 2.258 434 G HA2 -0.257 3.715 3.960 0.020 0.000 0.233 434 G HA3 -0.257 3.715 3.960 0.020 0.000 0.233 434 G C -0.008 174.971 174.900 0.130 0.000 1.006 434 G CA -0.215 44.930 45.100 0.076 0.000 0.620 434 G HN 0.577 nan 8.290 nan 0.000 0.511 435 W N 3.099 124.394 121.300 -0.008 0.000 2.711 435 W HA 0.285 4.956 4.660 0.019 0.000 0.323 435 W C 0.977 177.514 176.519 0.030 0.000 1.012 435 W CA 2.091 59.443 57.345 0.011 0.000 1.223 435 W CB 0.357 29.828 29.460 0.018 0.000 1.120 435 W HN 0.836 nan 8.180 nan 0.000 0.550 436 T N 4.272 118.344 114.554 -0.804 0.000 2.916 436 T HA 0.393 4.755 4.350 0.020 0.000 0.305 436 T C -0.767 173.088 174.700 -1.408 0.000 1.119 436 T CA -1.097 60.527 62.100 -0.794 0.000 1.008 436 T CB 0.961 69.636 68.868 -0.322 0.000 1.129 436 T HN 0.471 nan 8.240 nan 0.000 0.480 437 F N 2.405 121.710 119.950 -1.075 0.000 2.607 437 F HA 0.384 4.922 4.527 0.019 0.000 0.374 437 F C 0.188 175.741 175.800 -0.411 0.000 1.104 437 F CA 0.479 58.054 58.000 -0.707 0.000 1.296 437 F CB 0.465 39.351 39.000 -0.191 0.000 1.085 437 F HN 0.720 nan 8.300 nan 0.000 0.584 438 D N 5.205 124.895 120.400 -1.182 0.000 2.402 438 D HA 0.076 4.728 4.640 0.020 0.000 0.252 438 D C 0.413 176.145 176.300 -0.947 0.000 1.294 438 D CA -0.507 52.985 54.000 -0.847 0.000 0.948 438 D CB 0.360 40.889 40.800 -0.452 0.000 1.202 438 D HN 0.755 nan 8.370 nan 0.000 0.561 439 N N 2.279 120.413 118.700 -0.943 0.000 2.588 439 N HA -0.157 4.595 4.740 0.020 0.000 0.190 439 N C 0.453 175.839 175.510 -0.207 0.000 1.094 439 N CA 0.719 53.489 53.050 -0.467 0.000 0.921 439 N CB 0.274 38.730 38.487 -0.052 0.000 0.959 439 N HN 0.039 nan 8.380 nan 0.000 0.448 440 K N 0.032 120.315 120.400 -0.195 0.000 2.826 440 K HA 0.213 4.545 4.320 0.020 0.000 0.206 440 K C -0.745 175.829 176.600 -0.042 0.000 1.116 440 K CA -0.187 56.056 56.287 -0.073 0.000 1.045 440 K CB 0.873 33.351 32.500 -0.036 0.000 0.758 440 K HN 0.222 nan 8.250 nan 0.000 0.465 441 R N 1.545 122.001 120.500 -0.073 0.000 2.518 441 R HA 0.233 4.585 4.340 0.020 0.000 0.287 441 R C -2.977 173.343 176.300 0.033 0.000 1.135 441 R CA -1.417 54.676 56.100 -0.011 0.000 0.967 441 R CB 1.605 31.877 30.300 -0.047 0.000 1.212 441 R HN -0.175 nan 8.270 nan 0.000 0.422 442 P HA -0.113 nan 4.420 nan 0.000 0.261 442 P C 1.217 178.613 177.300 0.160 0.000 1.165 442 P CA -0.045 63.132 63.100 0.129 0.000 0.759 442 P CB 0.289 32.072 31.700 0.139 0.000 0.772 443 C N 3.645 123.078 119.300 0.222 0.000 2.385 443 C HA -0.222 4.250 4.460 0.020 0.000 0.275 443 C C 2.056 177.236 174.990 0.316 0.000 1.199 443 C CA 1.173 60.414 59.018 0.372 0.000 1.782 443 C CB -1.675 26.209 27.740 0.241 0.000 2.068 443 C HN 0.445 nan 8.230 nan 0.000 0.471 444 M N 0.774 120.450 119.600 0.127 0.000 2.541 444 M HA 0.219 4.711 4.480 0.020 0.000 0.252 444 M C 0.626 176.977 176.300 0.086 0.000 1.125 444 M CA 0.512 55.854 55.300 0.070 0.000 1.091 444 M CB -0.508 32.077 32.600 -0.025 0.000 1.420 444 M HN 0.269 nan 8.290 nan 0.000 0.486 445 V N 3.104 123.075 119.914 0.095 0.000 2.353 445 V HA 0.271 4.403 4.120 0.020 0.000 0.264 445 V C 0.337 176.475 176.094 0.072 0.000 1.049 445 V CA -0.253 62.085 62.300 0.063 0.000 0.896 445 V CB 0.325 32.174 31.823 0.045 0.000 1.025 445 V HN 0.253 nan 8.190 nan 0.000 0.475 446 R N 0.000 120.537 120.500 0.061 0.000 2.786 446 R HA 0.000 4.352 4.340 0.020 0.000 0.208 446 R CA 0.000 56.127 56.100 0.045 0.000 0.921 446 R CB 0.000 30.351 30.300 0.084 0.000 0.687 446 R HN 0.000 nan 8.270 nan 0.000 0.535