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 2bfd_1_A DATA FIRST_RESID 6 DATA SEQUENCE KPQFPGASAE FIDKLEFIQP NVISGIPIYR VMDRQGQIIN PSEDPHLPKE DATA SEQUENCE KVLKLYKSMT LLNTMDRILY ESQRQGRISF YMTNYGEEGT HVGSAAALDN DATA SEQUENCE TDLVFGQARE AGVLMYRDYP LELFMAQCYG NISDLGKGRQ MPVHYGCKER DATA SEQUENCE HFVTISSPLA TQIPQAVGAA YAAKRANANR VVICYFGEGA ASEGDAHAGF DATA SEQUENCE NFAATLECPI IFFCRNNGYA ISTPTSEQYR GDGIAARGPG YGIMSIRVDG DATA SEQUENCE NDVFAVYNAT KEARRRAVAE NQPFLIEAMT YRIGXXSTXX XXXXXXXXXX DATA SEQUENCE XXXXXXXDHP ISRLRHYLLS QGWWDEEQEK AWRKQSRRKV MEAFEQAERK DATA SEQUENCE PKPNPNLLFS DVYQEMPAQL RKQQESLARH LQTYGEHYPL DHFDK 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.534 176.600 -0.109 0.000 0.988 6 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 6 K CB 0.000 32.567 32.500 0.112 0.000 1.064 7 P HA 0.112 nan 4.420 nan 0.000 0.268 7 P C -1.001 176.118 177.300 -0.302 0.000 1.205 7 P CA 0.410 63.191 63.100 -0.532 0.000 0.771 7 P CB 0.815 32.112 31.700 -0.671 0.000 0.858 8 Q N 0.833 120.373 119.800 -0.433 0.000 2.165 8 Q HA 0.252 4.592 4.340 0.001 0.000 0.245 8 Q C -0.730 175.094 176.000 -0.294 0.000 0.841 8 Q CA -0.274 55.343 55.803 -0.310 0.000 1.078 8 Q CB 0.005 28.593 28.738 -0.250 0.000 1.169 8 Q HN 0.423 nan 8.270 nan 0.000 0.475 9 F N 1.370 121.289 119.950 -0.052 0.000 2.427 9 F HA 0.181 4.709 4.527 0.001 0.000 0.352 9 F C -1.080 174.695 175.800 -0.042 0.000 1.100 9 F CA -2.213 55.765 58.000 -0.037 0.000 1.191 9 F CB 0.438 39.415 39.000 -0.038 0.000 1.128 9 F HN 0.048 nan 8.300 nan 0.000 0.533 10 P HA -0.092 nan 4.420 nan 0.000 0.218 10 P C 1.579 178.913 177.300 0.057 0.000 1.149 10 P CA 1.226 64.368 63.100 0.071 0.000 0.817 10 P CB 0.030 31.762 31.700 0.054 0.000 0.785 11 G N -1.003 107.839 108.800 0.070 0.000 2.650 11 G HA2 0.294 4.255 3.960 0.001 0.000 0.214 11 G HA3 0.294 4.255 3.960 0.001 0.000 0.214 11 G C 0.466 175.367 174.900 0.002 0.000 1.136 11 G CA 0.657 45.769 45.100 0.019 0.000 0.789 11 G HN 0.622 nan 8.290 nan 0.000 0.536 12 A N -1.015 121.816 122.820 0.018 0.000 2.604 12 A HA 0.679 5.000 4.320 0.001 0.000 0.295 12 A C -0.762 176.819 177.584 -0.004 0.000 1.067 12 A CA -0.293 51.739 52.037 -0.008 0.000 0.683 12 A CB 1.173 20.152 19.000 -0.034 0.000 1.281 12 A HN 0.407 nan 8.150 nan 0.000 0.407 13 S N 0.326 116.011 115.700 -0.024 0.000 2.448 13 S HA 0.775 5.246 4.470 0.001 0.000 0.320 13 S C -0.276 174.293 174.600 -0.051 0.000 1.071 13 S CA 0.434 58.612 58.200 -0.036 0.000 1.113 13 S CB 0.221 63.401 63.200 -0.032 0.000 0.972 13 S HN 2.323 nan 8.310 nan 0.000 0.465 14 A N 4.241 127.016 122.820 -0.076 0.000 2.566 14 A HA 0.700 5.020 4.320 0.001 0.000 0.290 14 A C -1.184 176.308 177.584 -0.153 0.000 1.071 14 A CA -0.860 51.121 52.037 -0.093 0.000 0.658 14 A CB 0.869 19.818 19.000 -0.085 0.000 1.285 14 A HN 0.633 nan 8.150 nan 0.000 0.427 15 E N -0.115 120.006 120.200 -0.131 0.000 2.254 15 E HA 0.564 4.915 4.350 0.001 0.000 0.261 15 E C -1.007 175.480 176.600 -0.188 0.000 1.051 15 E CA -0.299 56.007 56.400 -0.156 0.000 0.902 15 E CB 0.579 30.252 29.700 -0.045 0.000 1.168 15 E HN 0.424 nan 8.360 nan 0.000 0.423 16 F N 0.665 120.629 119.950 0.024 0.000 2.406 16 F HA 0.315 4.843 4.527 0.001 0.000 0.327 16 F C 0.747 176.548 175.800 0.002 0.000 1.153 16 F CA -0.175 57.838 58.000 0.021 0.000 1.218 16 F CB 0.427 39.442 39.000 0.025 0.000 1.215 16 F HN 0.193 nan 8.300 nan 0.000 0.570 17 I N 1.590 122.294 120.570 0.224 0.000 2.647 17 I HA 0.247 4.418 4.170 0.001 0.000 0.295 17 I C -0.526 175.636 176.117 0.075 0.000 1.078 17 I CA -0.647 60.715 61.300 0.104 0.000 1.048 17 I CB 1.807 39.834 38.000 0.045 0.000 1.239 17 I HN 0.694 nan 8.210 nan 0.000 0.421 18 D N 6.155 126.578 120.400 0.038 0.000 2.368 18 D HA 0.079 4.720 4.640 0.001 0.000 0.218 18 D C -0.423 175.875 176.300 -0.003 0.000 1.112 18 D CA -0.115 53.889 54.000 0.007 0.000 0.834 18 D CB 0.207 41.005 40.800 -0.004 0.000 0.953 18 D HN 0.460 nan 8.370 nan 0.000 0.505 19 K N 0.072 120.470 120.400 -0.004 0.000 2.422 19 K HA 0.409 4.730 4.320 0.001 0.000 0.251 19 K C -0.928 175.655 176.600 -0.028 0.000 0.933 19 K CA -1.073 55.208 56.287 -0.010 0.000 0.798 19 K CB 2.282 34.781 32.500 -0.002 0.000 1.238 19 K HN 0.025 nan 8.250 nan 0.000 0.428 20 L N 2.186 123.389 121.223 -0.033 0.000 2.361 20 L HA 0.213 4.554 4.340 0.001 0.000 0.278 20 L C -0.919 175.916 176.870 -0.058 0.000 1.113 20 L CA 0.306 55.102 54.840 -0.074 0.000 0.849 20 L CB 0.317 42.350 42.059 -0.044 0.000 1.155 20 L HN 0.744 nan 8.230 nan 0.000 0.452 21 E N 5.027 125.153 120.200 -0.122 0.000 2.317 21 E HA 0.246 4.597 4.350 0.001 0.000 0.270 21 E C -1.405 175.119 176.600 -0.127 0.000 0.899 21 E CA -0.546 55.826 56.400 -0.048 0.000 0.814 21 E CB 1.557 31.245 29.700 -0.020 0.000 1.296 21 E HN 0.374 nan 8.360 nan 0.000 0.404 22 F N 2.381 122.329 119.950 -0.003 0.000 2.418 22 F HA 0.179 4.706 4.527 0.001 0.000 0.341 22 F C 0.763 176.559 175.800 -0.007 0.000 1.120 22 F CA -0.388 57.608 58.000 -0.007 0.000 1.232 22 F CB 0.565 39.561 39.000 -0.008 0.000 1.175 22 F HN 0.284 nan 8.300 nan 0.000 0.569 23 I N 2.778 123.440 120.570 0.152 0.000 2.371 23 I HA 0.132 4.303 4.170 0.001 0.000 0.290 23 I C 0.002 176.178 176.117 0.098 0.000 1.028 23 I CA -0.320 61.029 61.300 0.083 0.000 1.345 23 I CB 0.866 38.889 38.000 0.038 0.000 1.407 23 I HN 0.621 nan 8.210 nan 0.000 0.501 24 Q N 7.890 127.730 119.800 0.067 0.000 2.230 24 Q HA 0.506 4.847 4.340 0.001 0.000 0.253 24 Q C -2.403 173.615 176.000 0.030 0.000 0.919 24 Q CA -1.473 54.360 55.803 0.049 0.000 0.908 24 Q CB 1.530 30.293 28.738 0.042 0.000 1.245 24 Q HN 0.378 nan 8.270 nan 0.000 0.437 25 P HA 0.139 nan 4.420 nan 0.000 0.271 25 P C -1.563 175.747 177.300 0.016 0.000 1.216 25 P CA -0.188 62.922 63.100 0.016 0.000 0.776 25 P CB 0.495 32.205 31.700 0.016 0.000 0.881 26 N N 1.131 119.838 118.700 0.012 0.000 2.767 26 N HA 0.182 4.923 4.740 0.001 0.000 0.238 26 N C 0.434 175.953 175.510 0.016 0.000 1.083 26 N CA -0.445 52.613 53.050 0.013 0.000 0.964 26 N CB 0.622 39.114 38.487 0.009 0.000 1.252 26 N HN 0.049 nan 8.380 nan 0.000 0.512 27 V N 1.015 120.942 119.914 0.021 0.000 2.922 27 V HA -0.046 4.074 4.120 0.001 0.000 0.242 27 V C 1.816 177.928 176.094 0.031 0.000 1.094 27 V CA 0.509 62.828 62.300 0.030 0.000 1.106 27 V CB -0.321 31.526 31.823 0.041 0.000 0.799 27 V HN 0.635 nan 8.190 nan 0.000 0.474 28 I N -1.077 119.508 120.570 0.025 0.000 2.394 28 I HA 0.013 4.184 4.170 0.001 0.000 0.251 28 I C 1.064 177.194 176.117 0.023 0.000 1.136 28 I CA 1.391 62.705 61.300 0.023 0.000 1.425 28 I CB -0.431 37.581 38.000 0.019 0.000 1.079 28 I HN 0.065 nan 8.210 nan 0.000 0.425 29 S N 1.696 117.408 115.700 0.020 0.000 2.328 29 S HA 0.673 5.144 4.470 0.001 0.000 0.204 29 S C 0.383 174.992 174.600 0.016 0.000 1.475 29 S CA -0.516 57.694 58.200 0.018 0.000 1.148 29 S CB 0.493 63.702 63.200 0.016 0.000 1.077 29 S HN 0.612 nan 8.310 nan 0.000 0.479 30 G N 1.243 110.053 108.800 0.018 0.000 2.510 30 G HA2 0.582 4.543 3.960 0.001 0.000 0.280 30 G HA3 0.582 4.543 3.960 0.001 0.000 0.280 30 G C -0.004 174.901 174.900 0.009 0.000 1.386 30 G CA -0.942 44.165 45.100 0.013 0.000 1.047 30 G HN 0.594 nan 8.290 nan 0.000 0.527 31 I N 2.666 123.236 120.570 0.001 0.000 2.683 31 I HA 0.078 4.249 4.170 0.001 0.000 0.286 31 I C -1.364 174.757 176.117 0.007 0.000 1.175 31 I CA -0.988 60.311 61.300 -0.001 0.000 1.429 31 I CB 0.964 38.956 38.000 -0.013 0.000 1.371 31 I HN 0.268 nan 8.210 nan 0.000 0.569 32 P HA 0.236 nan 4.420 nan 0.000 0.274 32 P C -0.651 176.673 177.300 0.040 0.000 1.246 32 P CA -0.214 62.904 63.100 0.028 0.000 0.795 32 P CB 0.910 32.632 31.700 0.037 0.000 1.006 33 I N 1.281 121.878 120.570 0.046 0.000 2.307 33 I HA 0.142 4.313 4.170 0.001 0.000 0.289 33 I C 0.274 176.451 176.117 0.100 0.000 1.021 33 I CA -0.976 60.354 61.300 0.050 0.000 1.224 33 I CB 0.297 38.306 38.000 0.016 0.000 1.376 33 I HN 0.297 nan 8.210 nan 0.000 0.470 34 Y N 8.396 128.686 120.300 -0.016 0.000 2.465 34 Y HA 0.299 4.850 4.550 0.001 0.000 0.331 34 Y C 0.017 175.920 175.900 0.004 0.000 1.102 34 Y CA -0.214 57.884 58.100 -0.004 0.000 1.358 34 Y CB 0.316 38.772 38.460 -0.007 0.000 1.213 34 Y HN 0.536 nan 8.280 nan 0.000 0.525 35 R N 4.813 125.083 120.500 -0.382 0.000 2.651 35 R HA 0.529 4.870 4.340 0.001 0.000 0.278 35 R C -1.387 174.649 176.300 -0.439 0.000 1.010 35 R CA -0.574 55.284 56.100 -0.403 0.000 0.896 35 R CB 1.583 31.792 30.300 -0.151 0.000 1.211 35 R HN 0.643 nan 8.270 nan 0.000 0.456 36 V N 3.461 123.152 119.914 -0.371 0.000 2.788 36 V HA 0.158 4.279 4.120 0.001 0.000 0.241 36 V C 0.801 176.858 176.094 -0.061 0.000 1.083 36 V CA 0.897 63.076 62.300 -0.203 0.000 1.103 36 V CB 0.109 31.851 31.823 -0.135 0.000 0.800 36 V HN 0.749 nan 8.190 nan 0.000 0.476 37 M N 0.677 120.261 119.600 -0.026 0.000 2.535 37 M HA 0.677 5.158 4.480 0.001 0.000 0.314 37 M C -0.984 175.323 176.300 0.013 0.000 1.153 37 M CA -0.893 54.424 55.300 0.027 0.000 0.924 37 M CB 1.913 34.571 32.600 0.096 0.000 1.710 37 M HN 0.176 nan 8.290 nan 0.000 0.451 38 D N 1.639 122.057 120.400 0.029 0.000 2.447 38 D HA 0.263 4.904 4.640 0.001 0.000 0.265 38 D C 0.468 176.791 176.300 0.039 0.000 1.250 38 D CA -0.432 53.582 54.000 0.023 0.000 1.046 38 D CB 0.688 41.498 40.800 0.016 0.000 1.095 38 D HN 0.762 nan 8.370 nan 0.000 0.555 39 R N -1.395 119.125 120.500 0.034 0.000 2.237 39 R HA -0.037 4.304 4.340 0.001 0.000 0.219 39 R C 1.223 177.535 176.300 0.020 0.000 1.080 39 R CA 0.857 56.988 56.100 0.053 0.000 0.995 39 R CB -0.001 30.328 30.300 0.049 0.000 0.875 39 R HN 0.410 nan 8.270 nan 0.000 0.462 40 Q N -0.667 119.108 119.800 -0.042 0.000 2.280 40 Q HA 0.156 4.496 4.340 0.001 0.000 0.202 40 Q C 0.874 176.859 176.000 -0.025 0.000 0.903 40 Q CA 0.669 56.373 55.803 -0.165 0.000 0.948 40 Q CB 1.073 29.730 28.738 -0.135 0.000 1.058 40 Q HN 0.475 nan 8.270 nan 0.000 0.493 41 G N 0.973 109.835 108.800 0.103 0.000 2.148 41 G HA2 -0.221 3.739 3.960 0.001 0.000 0.254 41 G HA3 -0.221 3.739 3.960 0.001 0.000 0.254 41 G C -0.026 174.996 174.900 0.204 0.000 0.981 41 G CA -0.051 45.170 45.100 0.203 0.000 0.670 41 G HN 0.229 nan 8.290 nan 0.000 0.528 42 Q N 0.113 119.981 119.800 0.113 0.000 2.241 42 Q HA 0.507 4.848 4.340 0.001 0.000 0.254 42 Q C 0.814 176.872 176.000 0.096 0.000 0.917 42 Q CA -0.760 55.102 55.803 0.098 0.000 0.919 42 Q CB 1.419 30.180 28.738 0.038 0.000 1.237 42 Q HN 0.336 nan 8.270 nan 0.000 0.434 43 I N 3.541 124.171 120.570 0.100 0.000 2.533 43 I HA -0.018 4.153 4.170 0.001 0.000 0.284 43 I C 1.536 177.666 176.117 0.023 0.000 1.109 43 I CA 0.311 61.640 61.300 0.047 0.000 1.412 43 I CB 0.283 38.292 38.000 0.016 0.000 1.396 43 I HN 0.657 nan 8.210 nan 0.000 0.543 44 I N 4.668 125.244 120.570 0.009 0.000 2.585 44 I HA -0.062 4.108 4.170 0.001 0.000 0.254 44 I C 0.760 176.886 176.117 0.015 0.000 1.129 44 I CA 0.783 62.089 61.300 0.010 0.000 1.455 44 I CB 0.018 38.019 38.000 0.002 0.000 1.111 44 I HN 0.573 nan 8.210 nan 0.000 0.433 45 N N 0.323 119.031 118.700 0.014 0.000 2.549 45 N HA 0.227 4.968 4.740 0.001 0.000 0.281 45 N C -2.188 173.337 175.510 0.023 0.000 1.084 45 N CA -2.019 51.048 53.050 0.028 0.000 0.862 45 N CB 1.716 40.231 38.487 0.047 0.000 1.333 45 N HN -0.249 nan 8.380 nan 0.000 0.523 46 P HA -0.120 nan 4.420 nan 0.000 0.219 46 P C 1.031 178.365 177.300 0.056 0.000 1.146 46 P CA 1.200 64.326 63.100 0.043 0.000 0.808 46 P CB 0.244 31.982 31.700 0.065 0.000 0.779 47 S N -1.235 114.498 115.700 0.054 0.000 2.507 47 S HA -0.075 4.396 4.470 0.001 0.000 0.235 47 S C 1.503 176.137 174.600 0.057 0.000 0.988 47 S CA 0.806 59.042 58.200 0.059 0.000 0.944 47 S CB -0.692 62.538 63.200 0.050 0.000 0.762 47 S HN 0.137 nan 8.310 nan 0.000 0.526 48 E N 1.169 121.398 120.200 0.048 0.000 2.474 48 E HA 0.151 4.502 4.350 0.001 0.000 0.195 48 E C -0.269 176.325 176.600 -0.011 0.000 1.039 48 E CA -0.006 56.435 56.400 0.068 0.000 0.881 48 E CB -0.084 29.700 29.700 0.141 0.000 0.970 48 E HN 0.539 nan 8.360 nan 0.000 0.486 49 D N 2.150 122.481 120.400 -0.113 0.000 2.383 49 D HA 0.013 4.654 4.640 0.001 0.000 0.252 49 D C -1.475 174.636 176.300 -0.315 0.000 1.166 49 D CA -1.861 51.925 54.000 -0.356 0.000 0.879 49 D CB 1.487 41.925 40.800 -0.604 0.000 1.164 49 D HN -0.106 nan 8.370 nan 0.000 0.462 50 P HA -0.044 nan 4.420 nan 0.000 0.236 50 P C -0.304 176.941 177.300 -0.092 0.000 1.177 50 P CA 0.149 63.172 63.100 -0.128 0.000 0.773 50 P CB 0.021 31.669 31.700 -0.086 0.000 0.878 51 H N -0.677 118.283 119.070 -0.183 0.000 2.506 51 H HA -0.126 4.430 4.556 0.001 0.000 0.323 51 H C 0.181 175.492 175.328 -0.029 0.000 1.076 51 H CA 0.189 56.192 56.048 -0.075 0.000 1.108 51 H CB -2.130 27.626 29.762 -0.011 0.000 1.569 51 H HN 0.287 nan 8.280 nan 0.000 0.399 52 L N 1.860 123.056 121.223 -0.044 0.000 2.461 52 L HA 0.142 4.483 4.340 0.001 0.000 0.272 52 L C -1.157 175.813 176.870 0.166 0.000 1.197 52 L CA -1.529 53.310 54.840 -0.002 0.000 0.836 52 L CB 0.267 42.254 42.059 -0.120 0.000 1.105 52 L HN 0.095 nan 8.230 nan 0.000 0.477 53 P HA 0.061 nan 4.420 nan 0.000 0.274 53 P C 0.042 177.239 177.300 -0.170 0.000 1.237 53 P CA -0.552 62.563 63.100 0.026 0.000 0.793 53 P CB 0.923 32.611 31.700 -0.020 0.000 0.977 54 K N 1.444 121.469 120.400 -0.625 0.000 2.044 54 K HA -0.242 4.079 4.320 0.001 0.000 0.210 54 K C 1.855 178.105 176.600 -0.584 0.000 1.049 54 K CA 2.030 57.495 56.287 -1.370 0.000 0.927 54 K CB -0.154 31.327 32.500 -1.698 0.000 0.713 54 K HN 0.523 nan 8.250 nan 0.000 0.443 55 E N 0.541 120.534 120.200 -0.345 0.000 2.110 55 E HA -0.246 4.105 4.350 0.001 0.000 0.193 55 E C 1.963 178.499 176.600 -0.106 0.000 0.988 55 E CA 1.339 57.623 56.400 -0.193 0.000 0.804 55 E CB 0.048 29.668 29.700 -0.133 0.000 0.745 55 E HN 0.256 nan 8.360 nan 0.000 0.458 56 K N 0.010 120.372 120.400 -0.063 0.000 2.062 56 K HA -0.069 4.252 4.320 0.001 0.000 0.205 56 K C 1.999 178.637 176.600 0.063 0.000 1.051 56 K CA 1.131 57.434 56.287 0.028 0.000 0.941 56 K CB 0.154 32.679 32.500 0.041 0.000 0.719 56 K HN 0.024 nan 8.250 nan 0.000 0.440 57 V N 1.681 121.644 119.914 0.082 0.000 2.427 57 V HA -0.225 3.896 4.120 0.001 0.000 0.248 57 V C 2.236 178.391 176.094 0.102 0.000 1.051 57 V CA 1.475 63.891 62.300 0.193 0.000 1.048 57 V CB -0.409 31.712 31.823 0.496 0.000 0.666 57 V HN 0.311 nan 8.190 nan 0.000 0.456 58 L N -0.098 121.122 121.223 -0.005 0.000 2.131 58 L HA -0.198 4.142 4.340 0.001 0.000 0.210 58 L C 2.582 179.393 176.870 -0.097 0.000 1.092 58 L CA 1.774 56.550 54.840 -0.107 0.000 0.759 58 L CB -0.568 41.398 42.059 -0.154 0.000 0.903 58 L HN 0.323 nan 8.230 nan 0.000 0.435 59 K N 0.658 121.035 120.400 -0.039 0.000 2.097 59 K HA -0.160 4.161 4.320 0.001 0.000 0.206 59 K C 2.128 178.782 176.600 0.091 0.000 1.049 59 K CA 1.085 57.366 56.287 -0.010 0.000 0.933 59 K CB -0.018 32.491 32.500 0.016 0.000 0.717 59 K HN 0.223 nan 8.250 nan 0.000 0.442 60 L N -0.144 121.165 121.223 0.143 0.000 2.012 60 L HA -0.221 4.120 4.340 0.001 0.000 0.210 60 L C 2.523 179.432 176.870 0.066 0.000 1.073 60 L CA 1.526 56.446 54.840 0.134 0.000 0.748 60 L CB -0.691 41.406 42.059 0.064 0.000 0.891 60 L HN 0.260 nan 8.230 nan 0.000 0.431 61 Y N 0.971 121.200 120.300 -0.118 0.000 2.200 61 Y HA -0.200 4.351 4.550 0.001 0.000 0.290 61 Y C 2.553 178.357 175.900 -0.161 0.000 1.137 61 Y CA 1.471 59.458 58.100 -0.188 0.000 1.163 61 Y CB -0.089 38.144 38.460 -0.378 0.000 0.988 61 Y HN -0.014 nan 8.280 nan 0.000 0.518 62 K N -0.603 119.645 120.400 -0.254 0.000 2.148 62 K HA -0.109 4.211 4.320 0.001 0.000 0.204 62 K C 2.232 178.860 176.600 0.045 0.000 1.050 62 K CA 1.370 57.485 56.287 -0.287 0.000 0.942 62 K CB -0.160 31.958 32.500 -0.637 0.000 0.724 62 K HN 0.193 nan 8.250 nan 0.000 0.446 63 S N 1.244 116.965 115.700 0.034 0.000 2.368 63 S HA -0.102 4.369 4.470 0.001 0.000 0.225 63 S C 1.917 176.560 174.600 0.073 0.000 1.030 63 S CA 1.316 59.581 58.200 0.109 0.000 0.999 63 S CB -0.097 63.215 63.200 0.186 0.000 0.844 63 S HN 0.243 nan 8.310 nan 0.000 0.459 64 M N 1.173 120.776 119.600 0.005 0.000 2.175 64 M HA -0.084 4.397 4.480 0.001 0.000 0.264 64 M C 2.497 178.781 176.300 -0.026 0.000 1.063 64 M CA 1.597 56.892 55.300 -0.010 0.000 1.119 64 M CB -0.906 31.670 32.600 -0.040 0.000 1.377 64 M HN 0.463 nan 8.290 nan 0.000 0.415 65 T N -0.872 113.623 114.554 -0.098 0.000 2.942 65 T HA -0.040 4.311 4.350 0.001 0.000 0.265 65 T C 1.668 176.402 174.700 0.056 0.000 1.062 65 T CA 0.604 62.680 62.100 -0.039 0.000 1.139 65 T CB -0.426 68.411 68.868 -0.052 0.000 0.883 65 T HN 0.227 nan 8.240 nan 0.000 0.468 66 L N 0.582 121.892 121.223 0.145 0.000 2.093 66 L HA 0.254 4.595 4.340 0.001 0.000 0.208 66 L C 2.224 179.098 176.870 0.006 0.000 1.085 66 L CA 1.214 56.102 54.840 0.081 0.000 0.755 66 L CB -0.973 41.208 42.059 0.203 0.000 0.904 66 L HN 0.261 nan 8.230 nan 0.000 0.435 67 L N -0.058 121.169 121.223 0.007 0.000 2.046 67 L HA -0.220 4.121 4.340 0.001 0.000 0.208 67 L C 2.320 179.191 176.870 0.002 0.000 1.077 67 L CA 1.856 56.667 54.840 -0.047 0.000 0.747 67 L CB -1.080 40.957 42.059 -0.037 0.000 0.896 67 L HN 0.499 nan 8.230 nan 0.000 0.432 68 N N -1.361 117.371 118.700 0.053 0.000 2.188 68 N HA -0.174 4.567 4.740 0.001 0.000 0.184 68 N C 1.539 177.092 175.510 0.072 0.000 1.018 68 N CA 1.808 54.933 53.050 0.124 0.000 0.858 68 N CB 0.091 38.633 38.487 0.092 0.000 0.989 68 N HN 0.423 nan 8.380 nan 0.000 0.426 69 T N 1.340 115.888 114.554 -0.010 0.000 2.746 69 T HA -0.127 4.224 4.350 0.001 0.000 0.267 69 T C 1.920 176.587 174.700 -0.056 0.000 1.039 69 T CA 1.132 63.197 62.100 -0.058 0.000 1.142 69 T CB -0.107 68.686 68.868 -0.126 0.000 0.866 69 T HN 0.289 nan 8.240 nan 0.000 0.444 70 M N 0.892 120.458 119.600 -0.057 0.000 2.132 70 M HA -0.121 4.360 4.480 0.001 0.000 0.263 70 M C 1.618 177.885 176.300 -0.056 0.000 1.065 70 M CA 1.640 56.897 55.300 -0.072 0.000 1.122 70 M CB -0.139 32.392 32.600 -0.115 0.000 1.365 70 M HN 0.015 nan 8.290 nan 0.000 0.411 71 D N 0.356 120.771 120.400 0.025 0.000 2.123 71 D HA -0.164 4.477 4.640 0.001 0.000 0.196 71 D C 2.029 178.389 176.300 0.099 0.000 0.992 71 D CA 1.367 55.437 54.000 0.118 0.000 0.833 71 D CB -0.292 40.556 40.800 0.081 0.000 0.954 71 D HN 0.430 nan 8.370 nan 0.000 0.455 72 R N 0.013 120.579 120.500 0.111 0.000 2.081 72 R HA -0.021 4.319 4.340 0.001 0.000 0.235 72 R C 2.580 178.884 176.300 0.007 0.000 1.131 72 R CA 0.702 56.865 56.100 0.105 0.000 0.960 72 R CB -0.257 30.070 30.300 0.044 0.000 0.856 72 R HN 0.224 nan 8.270 nan 0.000 0.436 73 I N 0.655 121.163 120.570 -0.103 0.000 2.179 73 I HA -0.281 3.889 4.170 0.001 0.000 0.242 73 I C 2.095 178.062 176.117 -0.250 0.000 1.088 73 I CA 1.341 62.504 61.300 -0.228 0.000 1.357 73 I CB -0.138 37.686 38.000 -0.293 0.000 1.051 73 I HN 0.134 nan 8.210 nan 0.000 0.409 74 L N -1.118 119.920 121.223 -0.308 0.000 2.179 74 L HA -0.184 4.157 4.340 0.001 0.000 0.208 74 L C 2.582 179.128 176.870 -0.539 0.000 1.096 74 L CA 0.905 55.436 54.840 -0.516 0.000 0.779 74 L CB -0.616 40.808 42.059 -1.058 0.000 0.922 74 L HN 0.242 nan 8.230 nan 0.000 0.443 75 Y N 1.457 121.494 120.300 -0.439 0.000 2.181 75 Y HA -0.318 4.233 4.550 0.001 0.000 0.288 75 Y C 2.591 178.438 175.900 -0.089 0.000 1.146 75 Y CA 2.055 60.084 58.100 -0.118 0.000 1.164 75 Y CB 0.028 38.512 38.460 0.040 0.000 0.982 75 Y HN 0.168 nan 8.280 nan 0.000 0.515 76 E N -0.349 119.826 120.200 -0.042 0.000 2.110 76 E HA -0.183 4.167 4.350 0.001 0.000 0.193 76 E C 2.435 178.956 176.600 -0.131 0.000 0.988 76 E CA 1.467 57.805 56.400 -0.104 0.000 0.804 76 E CB -0.601 29.062 29.700 -0.063 0.000 0.745 76 E HN 0.351 nan 8.360 nan 0.000 0.458 77 S N -0.664 114.974 115.700 -0.104 0.000 2.382 77 S HA -0.192 4.279 4.470 0.001 0.000 0.228 77 S C 1.911 176.469 174.600 -0.070 0.000 1.027 77 S CA 1.433 59.645 58.200 0.020 0.000 0.991 77 S CB -0.317 63.021 63.200 0.229 0.000 0.823 77 S HN 0.352 nan 8.310 nan 0.000 0.469 78 Q N 0.777 120.477 119.800 -0.167 0.000 2.079 78 Q HA -0.028 4.313 4.340 0.001 0.000 0.200 78 Q C 2.189 178.076 176.000 -0.187 0.000 0.974 78 Q CA 1.075 56.776 55.803 -0.170 0.000 0.840 78 Q CB -0.307 28.313 28.738 -0.196 0.000 0.898 78 Q HN 0.410 nan 8.270 nan 0.000 0.430 79 R N 0.408 120.736 120.500 -0.287 0.000 2.159 79 R HA -0.105 4.236 4.340 0.001 0.000 0.237 79 R C 1.931 178.163 176.300 -0.113 0.000 1.131 79 R CA 1.066 57.029 56.100 -0.229 0.000 0.982 79 R CB -0.154 29.985 30.300 -0.268 0.000 0.868 79 R HN 0.501 nan 8.270 nan 0.000 0.453 80 Q N -0.865 118.887 119.800 -0.082 0.000 2.403 80 Q HA 0.112 4.453 4.340 0.001 0.000 0.203 80 Q C 0.670 176.659 176.000 -0.018 0.000 0.932 80 Q CA 0.483 56.267 55.803 -0.032 0.000 0.945 80 Q CB 0.642 29.380 28.738 -0.001 0.000 1.045 80 Q HN 0.496 nan 8.270 nan 0.000 0.511 81 G N 1.575 110.356 108.800 -0.032 0.000 2.143 81 G HA2 -0.328 3.633 3.960 0.001 0.000 0.248 81 G HA3 -0.328 3.633 3.960 0.001 0.000 0.248 81 G C 0.750 175.642 174.900 -0.014 0.000 0.991 81 G CA 0.464 45.552 45.100 -0.019 0.000 0.689 81 G HN 0.326 nan 8.290 nan 0.000 0.522 82 R N -0.329 120.166 120.500 -0.008 0.000 2.119 82 R HA 0.273 4.614 4.340 0.001 0.000 0.222 82 R C 1.678 177.899 176.300 -0.132 0.000 1.088 82 R CA 1.430 57.539 56.100 0.014 0.000 0.984 82 R CB 0.003 30.384 30.300 0.135 0.000 0.884 82 R HN 0.763 nan 8.270 nan 0.000 0.447 83 I N -2.849 117.594 120.570 -0.213 0.000 2.846 83 I HA 0.297 4.468 4.170 0.001 0.000 0.307 83 I C 0.955 177.016 176.117 -0.093 0.000 1.053 83 I CA -0.782 60.350 61.300 -0.280 0.000 1.050 83 I CB 2.221 39.969 38.000 -0.419 0.000 1.239 83 I HN -0.162 nan 8.210 nan 0.000 0.439 84 S N 2.587 118.272 115.700 -0.025 0.000 2.527 84 S HA 0.208 4.679 4.470 0.001 0.000 0.222 84 S C 0.001 174.708 174.600 0.178 0.000 0.985 84 S CA 0.168 58.402 58.200 0.058 0.000 0.921 84 S CB -0.306 62.929 63.200 0.058 0.000 0.772 84 S HN 0.722 nan 8.310 nan 0.000 0.529 85 F N -0.346 119.602 119.950 -0.003 0.000 2.725 85 F HA 0.630 5.158 4.527 0.001 0.000 0.309 85 F C -1.989 173.894 175.800 0.139 0.000 1.132 85 F CA -1.363 56.661 58.000 0.041 0.000 0.957 85 F CB 0.881 39.897 39.000 0.028 0.000 1.286 85 F HN 0.023 nan 8.300 nan 0.000 0.440 86 Y N 4.638 124.332 120.300 -1.010 0.000 2.581 86 Y HA 0.759 5.310 4.550 0.001 0.000 0.337 86 Y C -1.774 173.559 175.900 -0.944 0.000 1.108 86 Y CA -1.409 56.251 58.100 -0.732 0.000 1.033 86 Y CB 2.103 40.389 38.460 -0.290 0.000 1.318 86 Y HN 0.665 nan 8.280 nan 0.000 0.459 87 M N 4.419 123.253 119.600 -1.276 0.000 2.263 87 M HA 0.369 4.850 4.480 0.001 0.000 0.295 87 M C -0.501 175.259 176.300 -0.901 0.000 1.028 87 M CA -0.867 53.964 55.300 -0.781 0.000 0.921 87 M CB 2.265 34.595 32.600 -0.449 0.000 1.601 87 M HN 0.800 nan 8.290 nan 0.000 0.440 88 T N -1.651 112.573 114.554 -0.551 0.000 2.824 88 T HA 0.379 4.730 4.350 0.001 0.000 0.277 88 T C 0.491 174.890 174.700 -0.502 0.000 0.975 88 T CA -0.744 60.992 62.100 -0.607 0.000 0.966 88 T CB 0.891 69.073 68.868 -1.144 0.000 1.054 88 T HN 0.643 nan 8.240 nan 0.000 0.533 89 N N -0.191 118.235 118.700 -0.458 0.000 2.238 89 N HA 0.088 4.828 4.740 0.001 0.000 0.222 89 N C -0.843 174.644 175.510 -0.038 0.000 1.133 89 N CA -0.091 52.833 53.050 -0.210 0.000 0.854 89 N CB 0.094 38.491 38.487 -0.150 0.000 1.041 89 N HN 0.539 nan 8.380 nan 0.000 0.510 90 Y N 1.000 121.306 120.300 0.010 0.000 2.632 90 Y HA 0.211 4.762 4.550 0.001 0.000 0.329 90 Y C 1.845 177.777 175.900 0.053 0.000 1.174 90 Y CA 0.220 58.360 58.100 0.066 0.000 1.469 90 Y CB -0.038 38.450 38.460 0.046 0.000 1.242 90 Y HN 0.285 nan 8.280 nan 0.000 0.540 91 G N 2.283 111.189 108.800 0.176 0.000 2.225 91 G HA2 -0.278 3.682 3.960 0.001 0.000 0.254 91 G HA3 -0.278 3.682 3.960 0.001 0.000 0.254 91 G C 0.495 175.387 174.900 -0.014 0.000 0.988 91 G CA 0.271 45.359 45.100 -0.020 0.000 0.625 91 G HN 0.637 nan 8.290 nan 0.000 0.527 92 E N -0.004 120.235 120.200 0.065 0.000 2.789 92 E HA 0.299 4.649 4.350 0.001 0.000 0.208 92 E C 1.082 177.798 176.600 0.193 0.000 0.988 92 E CA 0.030 56.510 56.400 0.133 0.000 1.092 92 E CB 0.386 30.224 29.700 0.230 0.000 1.066 92 E HN 0.497 nan 8.360 nan 0.000 0.465 93 E N 0.889 121.142 120.200 0.088 0.000 2.106 93 E HA -0.109 4.241 4.350 0.001 0.000 0.192 93 E C 2.112 178.748 176.600 0.060 0.000 0.984 93 E CA 1.320 57.775 56.400 0.090 0.000 0.806 93 E CB -0.189 29.569 29.700 0.096 0.000 0.750 93 E HN 0.345 nan 8.360 nan 0.000 0.458 94 G N 0.585 109.388 108.800 0.005 0.000 2.394 94 G HA2 -0.263 3.698 3.960 0.001 0.000 0.215 94 G HA3 -0.263 3.698 3.960 0.001 0.000 0.215 94 G C 1.772 176.656 174.900 -0.026 0.000 1.165 94 G CA 1.404 46.489 45.100 -0.025 0.000 0.784 94 G HN 0.424 nan 8.290 nan 0.000 0.535 95 T N -1.440 113.091 114.554 -0.038 0.000 2.833 95 T HA -0.103 4.247 4.350 0.001 0.000 0.269 95 T C 2.035 176.503 174.700 -0.387 0.000 1.054 95 T CA 1.724 63.746 62.100 -0.129 0.000 1.135 95 T CB -0.416 68.379 68.868 -0.123 0.000 0.869 95 T HN 0.450 nan 8.240 nan 0.000 0.466 96 H N 0.765 119.765 119.070 -0.116 0.000 2.431 96 H HA 0.260 4.817 4.556 0.001 0.000 0.295 96 H C 2.590 177.846 175.328 -0.120 0.000 1.038 96 H CA 1.179 57.114 56.048 -0.188 0.000 1.360 96 H CB -0.120 29.520 29.762 -0.203 0.000 1.433 96 H HN 0.354 nan 8.280 nan 0.000 0.536 97 V N -1.468 118.460 119.914 0.024 0.000 2.453 97 V HA 0.026 4.147 4.120 0.001 0.000 0.247 97 V C 2.294 178.299 176.094 -0.148 0.000 1.048 97 V CA 1.794 64.065 62.300 -0.049 0.000 1.049 97 V CB -1.076 30.764 31.823 0.028 0.000 0.672 97 V HN 0.417 nan 8.190 nan 0.000 0.457 98 G N 1.151 109.913 108.800 -0.063 0.000 2.421 98 G HA2 -0.266 3.695 3.960 0.001 0.000 0.216 98 G HA3 -0.266 3.695 3.960 0.001 0.000 0.216 98 G C 1.870 176.790 174.900 0.033 0.000 1.171 98 G CA 1.688 46.799 45.100 0.019 0.000 0.775 98 G HN 0.812 nan 8.290 nan 0.000 0.543 99 S N 1.131 116.797 115.700 -0.056 0.000 2.387 99 S HA 0.221 4.691 4.470 0.001 0.000 0.226 99 S C 2.607 177.160 174.600 -0.078 0.000 1.026 99 S CA 1.375 59.526 58.200 -0.082 0.000 0.972 99 S CB -0.442 62.578 63.200 -0.299 0.000 0.814 99 S HN 0.563 nan 8.310 nan 0.000 0.477 100 A N 2.028 124.788 122.820 -0.100 0.000 1.972 100 A HA 0.348 4.669 4.320 0.001 0.000 0.219 100 A C 2.466 179.894 177.584 -0.260 0.000 1.169 100 A CA 1.558 53.545 52.037 -0.083 0.000 0.635 100 A CB -1.362 17.622 19.000 -0.027 0.000 0.810 100 A HN 0.889 nan 8.150 nan 0.000 0.446 101 A N -0.497 122.002 122.820 -0.536 0.000 2.067 101 A HA 0.266 4.587 4.320 0.001 0.000 0.219 101 A C 2.182 179.829 177.584 0.105 0.000 1.158 101 A CA 1.608 53.386 52.037 -0.432 0.000 0.661 101 A CB -0.577 18.210 19.000 -0.355 0.000 0.801 101 A HN 1.011 nan 8.150 nan 0.000 0.452 102 A N -0.959 121.860 122.820 -0.002 0.000 2.218 102 A HA 0.484 4.804 4.320 0.001 0.000 0.209 102 A C 0.839 178.361 177.584 -0.104 0.000 1.168 102 A CA -0.111 51.798 52.037 -0.212 0.000 0.804 102 A CB -0.211 18.492 19.000 -0.496 0.000 0.834 102 A HN 0.419 nan 8.150 nan 0.000 0.482 103 L N -0.302 120.908 121.223 -0.022 0.000 2.416 103 L HA 0.264 4.605 4.340 0.001 0.000 0.262 103 L C 0.339 177.238 176.870 0.047 0.000 1.093 103 L CA -0.838 54.005 54.840 0.004 0.000 0.801 103 L CB 0.555 42.637 42.059 0.039 0.000 1.191 103 L HN 0.225 nan 8.230 nan 0.000 0.459 104 D N 0.571 120.988 120.400 0.028 0.000 2.372 104 D HA -0.037 4.604 4.640 0.001 0.000 0.243 104 D C 0.593 176.932 176.300 0.066 0.000 1.121 104 D CA -0.189 53.836 54.000 0.040 0.000 0.898 104 D CB 0.949 41.750 40.800 0.002 0.000 1.202 104 D HN 0.492 nan 8.370 nan 0.000 0.428 105 N N 1.045 119.796 118.700 0.085 0.000 2.192 105 N HA -0.157 4.584 4.740 0.001 0.000 0.188 105 N C 1.433 176.994 175.510 0.085 0.000 1.013 105 N CA 1.456 54.574 53.050 0.114 0.000 0.863 105 N CB -0.085 38.469 38.487 0.112 0.000 0.990 105 N HN 0.546 nan 8.380 nan 0.000 0.430 106 T N -2.293 112.231 114.554 -0.050 0.000 3.122 106 T HA 0.109 4.460 4.350 0.001 0.000 0.250 106 T C 0.188 174.699 174.700 -0.315 0.000 1.067 106 T CA -0.452 61.433 62.100 -0.358 0.000 0.966 106 T CB 0.172 68.820 68.868 -0.368 0.000 1.002 106 T HN -0.145 nan 8.240 nan 0.000 0.542 107 D N 1.957 122.302 120.400 -0.093 0.000 2.424 107 D HA 0.255 4.896 4.640 0.001 0.000 0.244 107 D C -0.186 176.126 176.300 0.020 0.000 1.134 107 D CA -0.372 53.604 54.000 -0.039 0.000 0.881 107 D CB 1.037 41.837 40.800 -0.000 0.000 1.191 107 D HN 0.193 nan 8.370 nan 0.000 0.445 108 L N 2.944 124.191 121.223 0.039 0.000 2.326 108 L HA 0.248 4.589 4.340 0.001 0.000 0.278 108 L C -0.789 176.138 176.870 0.094 0.000 1.092 108 L CA -0.296 54.594 54.840 0.082 0.000 0.810 108 L CB 1.396 43.520 42.059 0.109 0.000 1.153 108 L HN 0.083 nan 8.230 nan 0.000 0.439 109 V N 5.671 125.589 119.914 0.008 0.000 2.459 109 V HA 0.465 4.586 4.120 0.001 0.000 0.295 109 V C -0.487 175.446 176.094 -0.267 0.000 1.029 109 V CA -0.432 61.869 62.300 0.001 0.000 0.874 109 V CB 1.343 33.201 31.823 0.059 0.000 0.985 109 V HN 0.515 nan 8.190 nan 0.000 0.438 110 F N 2.131 122.039 119.950 -0.070 0.000 2.522 110 F HA 0.912 5.440 4.527 0.001 0.000 0.324 110 F C 0.710 176.526 175.800 0.026 0.000 1.077 110 F CA -0.299 57.652 58.000 -0.081 0.000 0.944 110 F CB 2.411 41.415 39.000 0.007 0.000 1.175 110 F HN 0.663 nan 8.300 nan 0.000 0.468 111 G N 1.261 110.139 108.800 0.130 0.000 2.576 111 G HA2 0.351 4.311 3.960 0.001 0.000 0.290 111 G HA3 0.351 4.311 3.960 0.001 0.000 0.290 111 G C -0.611 174.372 174.900 0.137 0.000 1.442 111 G CA -0.569 44.659 45.100 0.213 0.000 0.792 111 G HN 0.554 nan 8.290 nan 0.000 0.491 112 Q N 0.147 120.080 119.800 0.221 0.000 1.969 112 Q HA 0.408 4.749 4.340 0.001 0.000 0.198 112 Q C 1.168 177.213 176.000 0.075 0.000 0.978 112 Q CA 2.723 58.639 55.803 0.188 0.000 0.830 112 Q CB -0.117 28.775 28.738 0.258 0.000 0.896 112 Q HN 2.451 nan 8.270 nan 0.000 0.431 113 A N -0.389 122.382 122.820 -0.081 0.000 3.076 113 A HA -0.047 4.274 4.320 0.001 0.000 0.272 113 A C 0.190 177.717 177.584 -0.095 0.000 1.231 113 A CA 0.509 52.505 52.037 -0.068 0.000 0.713 113 A CB -1.822 17.188 19.000 0.017 0.000 1.252 113 A HN 0.653 nan 8.150 nan 0.000 0.355 114 R N -0.211 120.206 120.500 -0.139 0.000 3.229 114 R HA -0.333 4.008 4.340 0.001 0.000 0.177 114 R C 0.819 177.105 176.300 -0.024 0.000 0.809 114 R CA 1.622 57.655 56.100 -0.113 0.000 1.390 114 R CB -1.288 28.899 30.300 -0.190 0.000 0.731 114 R HN 1.736 nan 8.270 nan 0.000 0.645 115 E N -0.650 119.392 120.200 -0.262 0.000 3.065 115 E HA -0.255 4.096 4.350 0.001 0.000 0.277 115 E C 0.746 177.262 176.600 -0.141 0.000 1.008 115 E CA 1.047 57.221 56.400 -0.377 0.000 0.864 115 E CB -1.057 28.603 29.700 -0.067 0.000 1.439 115 E HN 0.587 nan 8.360 nan 0.000 0.445 116 A N -0.409 122.343 122.820 -0.112 0.000 1.972 116 A HA 0.002 4.323 4.320 0.001 0.000 0.219 116 A C 2.370 179.917 177.584 -0.062 0.000 1.169 116 A CA 1.786 53.801 52.037 -0.036 0.000 0.635 116 A CB -0.641 18.295 19.000 -0.108 0.000 0.810 116 A HN 0.469 nan 8.150 nan 0.000 0.446 117 G N -0.636 108.100 108.800 -0.107 0.000 2.448 117 G HA2 -0.058 3.903 3.960 0.001 0.000 0.219 117 G HA3 -0.058 3.903 3.960 0.001 0.000 0.219 117 G C 1.417 176.377 174.900 0.099 0.000 1.127 117 G CA 1.126 46.234 45.100 0.013 0.000 0.766 117 G HN 0.322 nan 8.290 nan 0.000 0.552 118 V N 0.758 120.713 119.914 0.067 0.000 2.307 118 V HA -0.113 4.007 4.120 0.001 0.000 0.245 118 V C 2.861 179.019 176.094 0.107 0.000 1.045 118 V CA 1.329 63.720 62.300 0.151 0.000 1.024 118 V CB -0.427 31.542 31.823 0.243 0.000 0.651 118 V HN 0.343 nan 8.190 nan 0.000 0.449 119 L N -1.217 119.937 121.223 -0.115 0.000 2.046 119 L HA -0.221 4.120 4.340 0.001 0.000 0.208 119 L C 2.509 179.424 176.870 0.075 0.000 1.077 119 L CA 1.755 56.444 54.840 -0.252 0.000 0.747 119 L CB -0.438 41.195 42.059 -0.710 0.000 0.896 119 L HN 0.358 nan 8.230 nan 0.000 0.432 120 M N -1.014 118.738 119.600 0.254 0.000 2.117 120 M HA -0.290 4.190 4.480 0.001 0.000 0.262 120 M C 2.168 178.576 176.300 0.180 0.000 1.065 120 M CA 1.876 57.341 55.300 0.275 0.000 1.114 120 M CB -0.569 32.150 32.600 0.198 0.000 1.361 120 M HN 0.195 nan 8.290 nan 0.000 0.408 121 Y N 0.284 120.636 120.300 0.087 0.000 2.293 121 Y HA -0.084 4.467 4.550 0.001 0.000 0.291 121 Y C 1.588 177.533 175.900 0.075 0.000 1.137 121 Y CA 1.654 59.801 58.100 0.077 0.000 1.202 121 Y CB -0.073 38.434 38.460 0.079 0.000 0.990 121 Y HN 0.167 nan 8.280 nan 0.000 0.537 122 R N 0.909 121.476 120.500 0.112 0.000 2.325 122 R HA -0.035 4.306 4.340 0.001 0.000 0.214 122 R C -0.475 175.828 176.300 0.004 0.000 0.961 122 R CA 0.831 56.960 56.100 0.048 0.000 1.086 122 R CB -0.292 30.075 30.300 0.111 0.000 1.037 122 R HN 0.340 nan 8.270 nan 0.000 0.493 123 D N -0.759 119.637 120.400 -0.006 0.000 2.907 123 D HA -0.243 4.398 4.640 0.001 0.000 0.226 123 D C -0.740 175.574 176.300 0.023 0.000 1.141 123 D CA 0.887 54.887 54.000 -0.000 0.000 0.779 123 D CB -1.557 39.221 40.800 -0.037 0.000 1.095 123 D HN 0.285 nan 8.370 nan 0.000 0.430 124 Y N 0.979 121.185 120.300 -0.155 0.000 2.620 124 Y HA 0.273 4.824 4.550 0.001 0.000 0.330 124 Y C -1.811 173.931 175.900 -0.264 0.000 1.186 124 Y CA -1.470 56.432 58.100 -0.329 0.000 1.467 124 Y CB 0.514 38.564 38.460 -0.683 0.000 1.262 124 Y HN -0.105 nan 8.280 nan 0.000 0.550 125 P HA 0.032 nan 4.420 nan 0.000 0.268 125 P C 0.704 177.829 177.300 -0.290 0.000 1.205 125 P CA 0.190 63.079 63.100 -0.350 0.000 0.771 125 P CB 0.747 32.225 31.700 -0.369 0.000 0.858 126 L N 1.625 122.845 121.223 -0.004 0.000 2.079 126 L HA -0.222 4.119 4.340 0.001 0.000 0.210 126 L C 2.321 179.228 176.870 0.061 0.000 1.081 126 L CA 1.659 56.593 54.840 0.158 0.000 0.752 126 L CB -0.657 41.468 42.059 0.109 0.000 0.896 126 L HN 0.541 nan 8.230 nan 0.000 0.433 127 E N 0.779 120.944 120.200 -0.059 0.000 2.130 127 E HA -0.243 4.108 4.350 0.001 0.000 0.196 127 E C 2.228 178.765 176.600 -0.106 0.000 0.998 127 E CA 1.262 57.616 56.400 -0.077 0.000 0.806 127 E CB -0.005 29.628 29.700 -0.111 0.000 0.738 127 E HN 0.535 nan 8.360 nan 0.000 0.459 128 L N -0.476 120.567 121.223 -0.300 0.000 2.249 128 L HA -0.013 4.327 4.340 0.001 0.000 0.207 128 L C 2.164 178.959 176.870 -0.125 0.000 1.090 128 L CA 0.161 54.778 54.840 -0.371 0.000 0.802 128 L CB -0.268 41.242 42.059 -0.916 0.000 0.947 128 L HN 0.134 nan 8.230 nan 0.000 0.453 129 F N 0.358 120.248 119.950 -0.099 0.000 2.126 129 F HA -0.227 4.301 4.527 0.001 0.000 0.299 129 F C 2.523 178.461 175.800 0.230 0.000 1.096 129 F CA 1.558 59.582 58.000 0.039 0.000 1.255 129 F CB -0.509 38.454 39.000 -0.062 0.000 0.997 129 F HN 0.002 nan 8.300 nan 0.000 0.479 130 M N -0.869 118.945 119.600 0.357 0.000 2.349 130 M HA -0.007 4.474 4.480 0.001 0.000 0.266 130 M C 2.377 178.874 176.300 0.329 0.000 1.076 130 M CA 1.103 56.615 55.300 0.352 0.000 1.126 130 M CB -0.598 32.153 32.600 0.251 0.000 1.392 130 M HN 0.146 nan 8.290 nan 0.000 0.440 131 A N 0.123 123.060 122.820 0.195 0.000 1.933 131 A HA -0.182 4.139 4.320 0.001 0.000 0.218 131 A C 2.205 179.919 177.584 0.217 0.000 1.175 131 A CA 1.406 53.535 52.037 0.152 0.000 0.628 131 A CB -0.599 18.438 19.000 0.063 0.000 0.814 131 A HN 0.437 nan 8.150 nan 0.000 0.444 132 Q N -0.307 119.666 119.800 0.289 0.000 2.119 132 Q HA -0.144 4.197 4.340 0.001 0.000 0.201 132 Q C 2.181 178.340 176.000 0.265 0.000 0.972 132 Q CA 1.861 57.846 55.803 0.302 0.000 0.847 132 Q CB -0.522 28.493 28.738 0.461 0.000 0.903 132 Q HN 0.674 nan 8.270 nan 0.000 0.433 133 C N -0.191 119.303 119.300 0.323 0.000 2.435 133 C HA -0.102 4.359 4.460 0.001 0.000 0.279 133 C C 2.271 177.252 174.990 -0.016 0.000 1.321 133 C CA 0.322 59.452 59.018 0.186 0.000 1.752 133 C CB -1.227 26.644 27.740 0.218 0.000 1.959 133 C HN 0.495 nan 8.230 nan 0.000 0.500 134 Y N 0.420 120.763 120.300 0.072 0.000 2.523 134 Y HA 0.231 4.782 4.550 0.001 0.000 0.279 134 Y C 2.018 177.914 175.900 -0.007 0.000 1.139 134 Y CA 0.882 58.981 58.100 -0.001 0.000 1.296 134 Y CB -0.453 37.964 38.460 -0.073 0.000 1.045 134 Y HN 0.373 nan 8.280 nan 0.000 0.538 135 G N 1.745 110.629 108.800 0.140 0.000 2.273 135 G HA2 -0.358 3.603 3.960 0.001 0.000 0.280 135 G HA3 -0.358 3.603 3.960 0.001 0.000 0.280 135 G C -0.127 174.808 174.900 0.059 0.000 1.047 135 G CA 0.410 45.564 45.100 0.090 0.000 0.869 135 G HN 0.533 nan 8.290 nan 0.000 0.502 136 N N -0.574 118.166 118.700 0.067 0.000 2.476 136 N HA 0.539 5.280 4.740 0.001 0.000 0.287 136 N C 1.861 177.376 175.510 0.009 0.000 1.262 136 N CA -0.629 52.423 53.050 0.004 0.000 0.980 136 N CB 0.198 38.670 38.487 -0.026 0.000 1.163 136 N HN 0.635 nan 8.380 nan 0.000 0.592 137 I N -3.961 116.603 120.570 -0.011 0.000 2.756 137 I HA -0.031 4.140 4.170 0.001 0.000 0.262 137 I C 0.833 176.955 176.117 0.008 0.000 1.225 137 I CA 0.958 62.263 61.300 0.007 0.000 1.472 137 I CB -0.297 37.705 38.000 0.003 0.000 1.094 137 I HN 0.289 nan 8.210 nan 0.000 0.454 138 S N 0.070 115.769 115.700 -0.003 0.000 2.562 138 S HA -0.012 4.459 4.470 0.001 0.000 0.221 138 S C 0.559 175.166 174.600 0.012 0.000 0.975 138 S CA 0.078 58.273 58.200 -0.008 0.000 0.918 138 S CB -0.601 62.579 63.200 -0.032 0.000 0.772 138 S HN 0.539 nan 8.310 nan 0.000 0.531 139 D N 1.446 121.870 120.400 0.040 0.000 2.371 139 D HA 0.098 4.739 4.640 0.001 0.000 0.256 139 D C 0.911 177.250 176.300 0.066 0.000 1.193 139 D CA 0.050 54.094 54.000 0.072 0.000 0.881 139 D CB 0.433 41.290 40.800 0.095 0.000 1.143 139 D HN 0.095 nan 8.370 nan 0.000 0.473 140 L N 3.128 124.394 121.223 0.072 0.000 2.465 140 L HA 0.075 4.416 4.340 0.001 0.000 0.224 140 L C 2.159 179.072 176.870 0.071 0.000 1.145 140 L CA 0.654 55.532 54.840 0.063 0.000 0.834 140 L CB -0.070 42.025 42.059 0.061 0.000 0.944 140 L HN 0.544 nan 8.230 nan 0.000 0.451 141 G N -0.532 108.322 108.800 0.090 0.000 2.848 141 G HA2 -0.090 3.871 3.960 0.001 0.000 0.208 141 G HA3 -0.090 3.871 3.960 0.001 0.000 0.208 141 G C 0.911 175.851 174.900 0.066 0.000 1.152 141 G CA -0.152 44.997 45.100 0.082 0.000 0.789 141 G HN 0.398 nan 8.290 nan 0.000 0.531 142 K N -1.660 118.780 120.400 0.067 0.000 3.209 142 K HA -0.213 4.107 4.320 0.001 0.000 0.289 142 K C 1.340 177.981 176.600 0.067 0.000 1.191 142 K CA 0.396 56.721 56.287 0.064 0.000 0.851 142 K CB -1.752 30.783 32.500 0.057 0.000 1.242 142 K HN 1.095 nan 8.250 nan 0.000 0.480 143 G N 0.085 108.927 108.800 0.070 0.000 2.155 143 G HA2 -0.378 3.582 3.960 0.001 0.000 0.257 143 G HA3 -0.378 3.582 3.960 0.001 0.000 0.257 143 G C 0.689 175.618 174.900 0.049 0.000 0.983 143 G CA 0.824 45.966 45.100 0.069 0.000 0.676 143 G HN 0.472 nan 8.290 nan 0.000 0.528 144 R N -0.600 119.918 120.500 0.031 0.000 2.173 144 R HA 0.158 4.499 4.340 0.001 0.000 0.208 144 R C 1.405 177.686 176.300 -0.032 0.000 1.035 144 R CA 0.680 56.779 56.100 -0.001 0.000 1.004 144 R CB 0.098 30.393 30.300 -0.007 0.000 0.917 144 R HN 0.515 nan 8.270 nan 0.000 0.462 145 Q N 0.341 120.122 119.800 -0.032 0.000 2.205 145 Q HA 0.256 4.597 4.340 0.001 0.000 0.249 145 Q C -0.247 175.677 176.000 -0.127 0.000 0.948 145 Q CA -0.593 55.144 55.803 -0.110 0.000 0.895 145 Q CB 1.825 30.500 28.738 -0.105 0.000 1.249 145 Q HN 0.069 nan 8.270 nan 0.000 0.458 146 M N 2.120 121.557 119.600 -0.272 0.000 2.247 146 M HA 0.020 4.501 4.480 0.001 0.000 0.318 146 M C -2.093 174.185 176.300 -0.035 0.000 1.054 146 M CA -1.015 54.151 55.300 -0.224 0.000 1.117 146 M CB 0.019 32.355 32.600 -0.441 0.000 1.515 146 M HN 0.229 nan 8.290 nan 0.000 0.442 147 P HA -0.049 nan 4.420 nan 0.000 0.267 147 P C 0.082 177.576 177.300 0.323 0.000 1.201 147 P CA 0.311 63.555 63.100 0.240 0.000 0.775 147 P CB 0.317 32.193 31.700 0.294 0.000 0.854 148 V N -1.120 118.783 119.914 -0.019 0.000 3.129 148 V HA -0.243 3.878 4.120 0.001 0.000 0.179 148 V C -0.382 175.235 176.094 -0.796 0.000 0.447 148 V CA 1.199 63.107 62.300 -0.654 0.000 1.137 148 V CB -3.105 28.502 31.823 -0.361 0.000 1.301 148 V HN 0.741 nan 8.190 nan 0.000 1.146 149 H N 0.767 119.530 119.070 -0.510 0.000 2.628 149 H HA 0.499 5.056 4.556 0.001 0.000 0.250 149 H C -0.195 175.067 175.328 -0.112 0.000 1.442 149 H CA -0.157 55.754 56.048 -0.227 0.000 1.282 149 H CB 0.255 29.964 29.762 -0.088 0.000 1.487 149 H HN 0.624 nan 8.280 nan 0.000 0.544 150 Y N 0.670 121.095 120.300 0.208 0.000 2.316 150 Y HA 0.477 5.027 4.550 0.001 0.000 0.324 150 Y C 1.167 177.178 175.900 0.184 0.000 1.267 150 Y CA -0.624 57.556 58.100 0.134 0.000 1.311 150 Y CB 1.465 39.904 38.460 -0.034 0.000 1.267 150 Y HN 0.549 nan 8.280 nan 0.000 0.516 151 G N -0.667 108.280 108.800 0.245 0.000 2.720 151 G HA2 0.486 4.447 3.960 0.001 0.000 0.295 151 G HA3 0.486 4.447 3.960 0.001 0.000 0.295 151 G C -2.210 172.714 174.900 0.039 0.000 1.437 151 G CA -0.732 44.504 45.100 0.228 0.000 0.886 151 G HN 0.840 nan 8.290 nan 0.000 0.509 152 C N 2.617 121.944 119.300 0.045 0.000 2.705 152 C HA 0.577 5.037 4.460 0.001 0.000 0.369 152 C C 1.233 176.212 174.990 -0.018 0.000 1.069 152 C CA -0.718 58.289 59.018 -0.017 0.000 1.260 152 C CB 0.919 28.556 27.740 -0.172 0.000 1.764 152 C HN 1.033 nan 8.230 nan 0.000 0.469 153 K N 2.668 123.049 120.400 -0.033 0.000 2.097 153 K HA -0.130 4.191 4.320 0.001 0.000 0.205 153 K C 1.756 178.219 176.600 -0.229 0.000 1.050 153 K CA 2.066 58.297 56.287 -0.093 0.000 0.938 153 K CB -0.032 32.440 32.500 -0.047 0.000 0.718 153 K HN 0.883 nan 8.250 nan 0.000 0.442 154 E N 0.451 120.557 120.200 -0.157 0.000 2.204 154 E HA -0.163 4.188 4.350 0.001 0.000 0.195 154 E C 0.989 177.427 176.600 -0.269 0.000 0.990 154 E CA 0.932 57.219 56.400 -0.189 0.000 0.821 154 E CB 0.242 29.902 29.700 -0.066 0.000 0.750 154 E HN 0.235 nan 8.360 nan 0.000 0.477 155 R N -0.490 119.900 120.500 -0.184 0.000 2.546 155 R HA 0.131 4.472 4.340 0.001 0.000 0.320 155 R C -0.505 175.826 176.300 0.051 0.000 1.021 155 R CA -0.086 55.986 56.100 -0.047 0.000 1.088 155 R CB 0.340 30.641 30.300 0.001 0.000 1.278 155 R HN 0.221 nan 8.270 nan 0.000 0.557 156 H N -0.570 118.542 119.070 0.071 0.000 2.756 156 H HA -0.234 4.323 4.556 0.001 0.000 0.315 156 H C -1.089 174.282 175.328 0.071 0.000 1.210 156 H CA 0.936 57.014 56.048 0.050 0.000 1.150 156 H CB -1.703 28.090 29.762 0.051 0.000 1.463 156 H HN 0.239 nan 8.280 nan 0.000 0.427 157 F N 0.626 120.531 119.950 -0.075 0.000 2.610 157 F HA 0.404 4.931 4.527 0.001 0.000 0.355 157 F C -0.336 175.366 175.800 -0.162 0.000 1.140 157 F CA -0.748 57.190 58.000 -0.105 0.000 1.037 157 F CB 0.830 39.755 39.000 -0.126 0.000 1.287 157 F HN -0.097 nan 8.300 nan 0.000 0.457 158 V N 4.498 124.133 119.914 -0.465 0.000 2.655 158 V HA 0.065 4.186 4.120 0.001 0.000 0.300 158 V C 0.718 176.676 176.094 -0.227 0.000 1.044 158 V CA -0.082 61.973 62.300 -0.409 0.000 1.095 158 V CB 0.863 32.164 31.823 -0.871 0.000 0.952 158 V HN 0.775 nan 8.190 nan 0.000 0.485 159 T N 6.679 121.210 114.554 -0.039 0.000 2.905 159 T HA 0.082 4.433 4.350 0.001 0.000 0.299 159 T C 0.258 174.990 174.700 0.054 0.000 1.024 159 T CA -0.076 62.068 62.100 0.074 0.000 1.151 159 T CB -0.147 68.765 68.868 0.073 0.000 0.987 159 T HN 0.275 nan 8.240 nan 0.000 0.535 160 I N 3.466 124.103 120.570 0.112 0.000 2.575 160 I HA 0.221 4.391 4.170 0.001 0.000 0.285 160 I C 1.013 177.228 176.117 0.164 0.000 1.085 160 I CA -0.052 61.302 61.300 0.090 0.000 1.403 160 I CB 0.676 38.703 38.000 0.045 0.000 1.409 160 I HN 0.764 nan 8.210 nan 0.000 0.557 161 S N 2.856 118.646 115.700 0.150 0.000 2.568 161 S HA 0.432 4.903 4.470 0.001 0.000 0.293 161 S C 0.724 175.434 174.600 0.183 0.000 1.089 161 S CA -0.629 57.681 58.200 0.183 0.000 0.945 161 S CB 1.779 65.037 63.200 0.096 0.000 1.077 161 S HN 0.499 nan 8.310 nan 0.000 0.485 162 S N 1.439 117.263 115.700 0.206 0.000 2.370 162 S HA 0.030 4.500 4.470 0.001 0.000 0.226 162 S C -1.906 172.742 174.600 0.079 0.000 1.033 162 S CA 0.838 59.142 58.200 0.172 0.000 1.011 162 S CB -1.663 61.574 63.200 0.061 0.000 0.852 162 S HN 0.666 nan 8.310 nan 0.000 0.457 163 P HA 0.124 nan 4.420 nan 0.000 0.263 163 P C -0.554 176.769 177.300 0.039 0.000 1.195 163 P CA 0.214 63.331 63.100 0.029 0.000 0.762 163 P CB 0.188 31.896 31.700 0.013 0.000 0.799 164 L N 2.845 124.089 121.223 0.035 0.000 2.426 164 L HA 0.263 4.604 4.340 0.001 0.000 0.271 164 L C 1.400 178.282 176.870 0.019 0.000 1.169 164 L CA 0.336 55.205 54.840 0.048 0.000 0.836 164 L CB -0.109 41.981 42.059 0.052 0.000 1.112 164 L HN 0.612 nan 8.230 nan 0.000 0.465 165 A N 0.963 123.802 122.820 0.032 0.000 3.661 165 A HA -0.266 4.055 4.320 0.001 0.000 0.269 165 A C 1.685 179.232 177.584 -0.063 0.000 1.056 165 A CA 1.539 53.552 52.037 -0.039 0.000 1.159 165 A CB -2.363 16.569 19.000 -0.113 0.000 1.105 165 A HN 0.918 nan 8.150 nan 0.000 0.907 166 T N -0.826 113.714 114.554 -0.023 0.000 2.881 166 T HA -0.179 4.172 4.350 0.001 0.000 0.270 166 T C 1.733 176.414 174.700 -0.032 0.000 1.068 166 T CA 1.660 63.738 62.100 -0.036 0.000 1.131 166 T CB -0.438 68.425 68.868 -0.009 0.000 0.871 166 T HN 1.118 nan 8.240 nan 0.000 0.479 167 Q N 1.270 121.084 119.800 0.023 0.000 2.436 167 Q HA 0.072 4.413 4.340 0.001 0.000 0.209 167 Q C 2.069 178.018 176.000 -0.085 0.000 0.965 167 Q CA 0.649 56.480 55.803 0.047 0.000 0.910 167 Q CB -0.694 28.179 28.738 0.226 0.000 0.980 167 Q HN 0.613 nan 8.270 nan 0.000 0.491 168 I N 2.258 122.774 120.570 -0.091 0.000 2.163 168 I HA -0.136 4.035 4.170 0.001 0.000 0.240 168 I C -0.393 175.641 176.117 -0.138 0.000 1.081 168 I CA 1.039 62.280 61.300 -0.098 0.000 1.353 168 I CB -1.467 36.381 38.000 -0.253 0.000 1.054 168 I HN 0.132 nan 8.210 nan 0.000 0.407 169 P HA -0.135 nan 4.420 nan 0.000 0.221 169 P C 1.340 178.494 177.300 -0.244 0.000 1.150 169 P CA 1.348 64.293 63.100 -0.259 0.000 0.800 169 P CB -0.043 31.436 31.700 -0.368 0.000 0.787 170 Q N 0.172 119.817 119.800 -0.257 0.000 2.050 170 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 170 Q C 2.442 178.080 176.000 -0.602 0.000 0.980 170 Q CA 1.752 57.377 55.803 -0.297 0.000 0.840 170 Q CB -0.761 27.866 28.738 -0.184 0.000 0.898 170 Q HN 0.183 nan 8.270 nan 0.000 0.424 171 A N 0.518 122.765 122.820 -0.955 0.000 1.940 171 A HA -0.156 4.165 4.320 0.001 0.000 0.219 171 A C 2.352 179.686 177.584 -0.418 0.000 1.176 171 A CA 1.409 52.765 52.037 -1.136 0.000 0.631 171 A CB -0.742 17.797 19.000 -0.768 0.000 0.814 171 A HN 0.219 nan 8.150 nan 0.000 0.446 172 V N -0.111 119.669 119.914 -0.224 0.000 2.343 172 V HA -0.202 3.919 4.120 0.001 0.000 0.247 172 V C 2.800 178.894 176.094 0.001 0.000 1.051 172 V CA 1.977 64.241 62.300 -0.060 0.000 1.036 172 V CB -1.458 30.391 31.823 0.043 0.000 0.654 172 V HN 0.617 nan 8.190 nan 0.000 0.451 173 G N -0.446 108.333 108.800 -0.035 0.000 2.418 173 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 173 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 173 G C 1.756 176.711 174.900 0.093 0.000 1.158 173 G CA 0.990 46.117 45.100 0.046 0.000 0.771 173 G HN 0.611 nan 8.290 nan 0.000 0.545 174 A N 1.076 123.915 122.820 0.032 0.000 1.933 174 A HA 0.309 4.630 4.320 0.001 0.000 0.218 174 A C 2.774 180.417 177.584 0.098 0.000 1.175 174 A CA 2.102 54.211 52.037 0.119 0.000 0.628 174 A CB -0.643 18.509 19.000 0.255 0.000 0.814 174 A HN 0.735 nan 8.150 nan 0.000 0.444 175 A N -1.674 121.177 122.820 0.050 0.000 1.930 175 A HA -0.082 4.239 4.320 0.001 0.000 0.217 175 A C 2.107 179.724 177.584 0.055 0.000 1.175 175 A CA 1.528 53.584 52.037 0.031 0.000 0.627 175 A CB -0.736 18.250 19.000 -0.024 0.000 0.815 175 A HN 0.686 nan 8.150 nan 0.000 0.443 176 Y N 0.557 120.858 120.300 0.001 0.000 2.181 176 Y HA -0.071 4.479 4.550 0.001 0.000 0.288 176 Y C 2.611 178.521 175.900 0.018 0.000 1.146 176 Y CA 1.214 59.322 58.100 0.013 0.000 1.164 176 Y CB -0.339 38.137 38.460 0.027 0.000 0.982 176 Y HN 0.310 nan 8.280 nan 0.000 0.515 177 A N 0.223 123.130 122.820 0.145 0.000 1.930 177 A HA -0.086 4.235 4.320 0.001 0.000 0.217 177 A C 2.381 179.957 177.584 -0.013 0.000 1.175 177 A CA 1.628 53.711 52.037 0.076 0.000 0.627 177 A CB -1.383 17.688 19.000 0.120 0.000 0.815 177 A HN 0.567 nan 8.150 nan 0.000 0.443 178 A N -0.013 122.803 122.820 -0.006 0.000 1.902 178 A HA -0.165 4.156 4.320 0.001 0.000 0.217 178 A C 2.122 179.662 177.584 -0.073 0.000 1.181 178 A CA 1.980 54.003 52.037 -0.024 0.000 0.623 178 A CB -0.451 18.545 19.000 -0.007 0.000 0.818 178 A HN 0.573 nan 8.150 nan 0.000 0.443 179 K N -0.414 119.907 120.400 -0.131 0.000 2.057 179 K HA -0.144 4.177 4.320 0.001 0.000 0.207 179 K C 2.209 178.696 176.600 -0.187 0.000 1.049 179 K CA 1.371 57.555 56.287 -0.172 0.000 0.931 179 K CB -0.194 32.157 32.500 -0.247 0.000 0.714 179 K HN 0.397 nan 8.250 nan 0.000 0.440 180 R N -0.291 120.063 120.500 -0.243 0.000 2.148 180 R HA -0.041 4.300 4.340 0.001 0.000 0.227 180 R C 2.073 178.322 176.300 -0.085 0.000 1.103 180 R CA 1.022 57.019 56.100 -0.172 0.000 0.983 180 R CB -0.128 30.080 30.300 -0.152 0.000 0.874 180 R HN 0.237 nan 8.270 nan 0.000 0.451 181 A N 0.879 123.662 122.820 -0.063 0.000 2.208 181 A HA -0.036 4.285 4.320 0.001 0.000 0.209 181 A C 0.215 177.780 177.584 -0.032 0.000 1.161 181 A CA 0.330 52.349 52.037 -0.030 0.000 0.782 181 A CB -0.366 18.627 19.000 -0.012 0.000 0.816 181 A HN 0.532 nan 8.150 nan 0.000 0.477 182 N N -1.999 116.673 118.700 -0.047 0.000 2.735 182 N HA -0.262 4.479 4.740 0.001 0.000 0.248 182 N C 0.850 176.341 175.510 -0.031 0.000 1.083 182 N CA 0.377 53.403 53.050 -0.040 0.000 0.703 182 N CB -1.238 37.230 38.487 -0.031 0.000 1.005 182 N HN 0.615 nan 8.380 nan 0.000 0.550 183 A N 1.013 123.813 122.820 -0.033 0.000 1.948 183 A HA -0.221 4.100 4.320 0.001 0.000 0.220 183 A C 1.276 178.840 177.584 -0.032 0.000 1.177 183 A CA 1.675 53.694 52.037 -0.029 0.000 0.636 183 A CB -0.169 18.813 19.000 -0.030 0.000 0.815 183 A HN 0.616 nan 8.150 nan 0.000 0.449 184 N N -1.222 117.457 118.700 -0.035 0.000 2.716 184 N HA -0.179 4.562 4.740 0.001 0.000 0.250 184 N C 0.019 175.506 175.510 -0.039 0.000 1.033 184 N CA 1.566 54.595 53.050 -0.034 0.000 0.727 184 N CB -0.933 37.537 38.487 -0.028 0.000 0.950 184 N HN 0.823 nan 8.380 nan 0.000 0.541 185 R N -0.561 119.914 120.500 -0.041 0.000 2.803 185 R HA 0.699 5.039 4.340 0.001 0.000 0.276 185 R C -0.836 175.440 176.300 -0.039 0.000 0.978 185 R CA -0.689 55.384 56.100 -0.045 0.000 0.939 185 R CB 1.632 31.905 30.300 -0.045 0.000 1.179 185 R HN -0.071 nan 8.270 nan 0.000 0.472 186 V N 3.127 123.018 119.914 -0.039 0.000 2.769 186 V HA 0.473 4.594 4.120 0.001 0.000 0.312 186 V C -0.583 175.500 176.094 -0.019 0.000 1.061 186 V CA -0.838 61.438 62.300 -0.040 0.000 0.931 186 V CB 2.066 33.854 31.823 -0.058 0.000 1.010 186 V HN 0.509 nan 8.190 nan 0.000 0.433 187 V N 4.630 124.532 119.914 -0.020 0.000 2.532 187 V HA 0.535 4.656 4.120 0.001 0.000 0.295 187 V C -0.234 175.839 176.094 -0.035 0.000 1.041 187 V CA -0.473 61.842 62.300 0.025 0.000 0.926 187 V CB 1.784 33.634 31.823 0.045 0.000 0.992 187 V HN 0.731 nan 8.190 nan 0.000 0.457 188 I N 3.937 124.510 120.570 0.004 0.000 2.530 188 I HA 0.642 4.813 4.170 0.001 0.000 0.297 188 I C -0.903 175.194 176.117 -0.034 0.000 1.011 188 I CA -0.255 60.983 61.300 -0.103 0.000 1.107 188 I CB 1.493 39.372 38.000 -0.203 0.000 1.285 188 I HN 0.765 nan 8.210 nan 0.000 0.436 189 C N 7.382 126.649 119.300 -0.054 0.000 2.397 189 C HA 0.575 5.036 4.460 0.001 0.000 0.325 189 C C -0.954 174.182 174.990 0.243 0.000 1.201 189 C CA -0.430 58.696 59.018 0.180 0.000 1.377 189 C CB 0.073 27.969 27.740 0.260 0.000 2.038 189 C HN 0.722 nan 8.230 nan 0.000 0.457 190 Y N 5.398 125.913 120.300 0.357 0.000 2.352 190 Y HA 0.762 5.313 4.550 0.001 0.000 0.326 190 Y C 0.268 176.413 175.900 0.408 0.000 1.166 190 Y CA -0.225 58.053 58.100 0.297 0.000 1.182 190 Y CB 1.000 39.583 38.460 0.205 0.000 1.216 190 Y HN 0.717 nan 8.280 nan 0.000 0.474 191 F N -1.472 118.721 119.950 0.405 0.000 2.719 191 F HA 0.778 5.305 4.527 0.001 0.000 0.309 191 F C -0.335 175.610 175.800 0.242 0.000 1.138 191 F CA -1.750 56.408 58.000 0.264 0.000 0.943 191 F CB 0.475 39.588 39.000 0.189 0.000 1.304 191 F HN 0.614 nan 8.300 nan 0.000 0.445 192 G N 0.302 109.282 108.800 0.300 0.000 2.547 192 G HA2 0.414 4.374 3.960 0.001 0.000 0.291 192 G HA3 0.414 4.374 3.960 0.001 0.000 0.291 192 G C 0.383 175.438 174.900 0.259 0.000 1.211 192 G CA -0.034 45.186 45.100 0.201 0.000 0.950 192 G HN 0.948 nan 8.290 nan 0.000 0.504 193 E N -0.147 120.170 120.200 0.196 0.000 2.208 193 E HA -0.032 4.319 4.350 0.001 0.000 0.193 193 E C 2.084 178.826 176.600 0.237 0.000 0.988 193 E CA 1.335 57.872 56.400 0.229 0.000 0.828 193 E CB -0.876 28.968 29.700 0.239 0.000 0.763 193 E HN 0.477 nan 8.360 nan 0.000 0.478 194 G N 1.496 110.410 108.800 0.190 0.000 2.404 194 G HA2 -0.158 3.802 3.960 0.001 0.000 0.215 194 G HA3 -0.158 3.802 3.960 0.001 0.000 0.215 194 G C 1.844 176.823 174.900 0.132 0.000 1.174 194 G CA 1.567 46.755 45.100 0.146 0.000 0.780 194 G HN 0.486 nan 8.290 nan 0.000 0.537 195 A N 1.147 124.063 122.820 0.159 0.000 2.024 195 A HA 0.209 4.530 4.320 0.001 0.000 0.220 195 A C 2.688 180.308 177.584 0.060 0.000 1.164 195 A CA 2.142 54.254 52.037 0.124 0.000 0.643 195 A CB -0.621 18.500 19.000 0.201 0.000 0.806 195 A HN 0.849 nan 8.150 nan 0.000 0.451 196 A N -0.887 122.014 122.820 0.136 0.000 2.172 196 A HA 0.044 4.364 4.320 0.001 0.000 0.216 196 A C 2.178 179.722 177.584 -0.067 0.000 1.154 196 A CA 1.564 53.594 52.037 -0.012 0.000 0.701 196 A CB -0.519 18.596 19.000 0.193 0.000 0.789 196 A HN 0.409 nan 8.150 nan 0.000 0.465 197 S N 0.117 115.819 115.700 0.005 0.000 2.522 197 S HA 0.020 4.490 4.470 0.001 0.000 0.227 197 S C 0.645 175.209 174.600 -0.060 0.000 0.986 197 S CA 0.015 58.208 58.200 -0.012 0.000 0.929 197 S CB -0.070 63.149 63.200 0.032 0.000 0.769 197 S HN 0.568 nan 8.310 nan 0.000 0.529 198 E N 0.621 120.773 120.200 -0.081 0.000 2.404 198 E HA 0.113 4.464 4.350 0.001 0.000 0.261 198 E C 1.399 177.922 176.600 -0.127 0.000 1.074 198 E CA 0.083 56.428 56.400 -0.092 0.000 0.917 198 E CB 0.529 30.175 29.700 -0.090 0.000 0.965 198 E HN 0.289 nan 8.360 nan 0.000 0.433 199 G N 2.293 111.035 108.800 -0.096 0.000 2.432 199 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 199 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 199 G C 0.916 175.748 174.900 -0.113 0.000 1.135 199 G CA 0.405 45.458 45.100 -0.078 0.000 0.767 199 G HN 0.387 nan 8.290 nan 0.000 0.550 200 D N 0.754 121.058 120.400 -0.160 0.000 2.264 200 D HA 0.026 4.667 4.640 0.001 0.000 0.208 200 D C 2.688 178.782 176.300 -0.343 0.000 0.966 200 D CA 0.952 54.818 54.000 -0.223 0.000 0.864 200 D CB -0.173 40.512 40.800 -0.191 0.000 0.933 200 D HN 0.327 nan 8.370 nan 0.000 0.499 201 A N 0.002 122.569 122.820 -0.422 0.000 1.929 201 A HA -0.197 4.124 4.320 0.001 0.000 0.216 201 A C 2.012 179.078 177.584 -0.863 0.000 1.176 201 A CA 1.584 53.157 52.037 -0.773 0.000 0.628 201 A CB -0.730 17.766 19.000 -0.840 0.000 0.816 201 A HN 0.290 nan 8.150 nan 0.000 0.444 202 H N 0.218 118.937 119.070 -0.584 0.000 2.387 202 H HA 0.045 4.601 4.556 0.001 0.000 0.299 202 H C 2.111 177.279 175.328 -0.267 0.000 1.090 202 H CA 1.751 57.583 56.048 -0.360 0.000 1.332 202 H CB -0.249 29.445 29.762 -0.112 0.000 1.386 202 H HN 0.376 nan 8.280 nan 0.000 0.516 203 A N -0.045 122.612 122.820 -0.272 0.000 1.858 203 A HA -0.059 4.261 4.320 0.001 0.000 0.216 203 A C 2.733 180.095 177.584 -0.370 0.000 1.190 203 A CA 1.580 53.418 52.037 -0.331 0.000 0.617 203 A CB -1.420 17.338 19.000 -0.403 0.000 0.827 203 A HN 0.597 nan 8.150 nan 0.000 0.443 204 G N -1.162 107.401 108.800 -0.395 0.000 2.418 204 G HA2 -0.129 3.832 3.960 0.001 0.000 0.217 204 G HA3 -0.129 3.832 3.960 0.001 0.000 0.217 204 G C 1.346 176.218 174.900 -0.046 0.000 1.158 204 G CA 1.080 46.054 45.100 -0.210 0.000 0.771 204 G HN 0.341 nan 8.290 nan 0.000 0.545 205 F N 1.476 121.028 119.950 -0.662 0.000 2.095 205 F HA -0.068 4.460 4.527 0.001 0.000 0.298 205 F C 2.479 178.014 175.800 -0.442 0.000 1.104 205 F CA 1.032 58.529 58.000 -0.839 0.000 1.232 205 F CB -1.126 36.947 39.000 -1.546 0.000 0.987 205 F HN 0.177 nan 8.300 nan 0.000 0.475 206 N N -0.060 118.528 118.700 -0.186 0.000 2.142 206 N HA -0.175 4.565 4.740 0.001 0.000 0.186 206 N C 1.770 177.384 175.510 0.173 0.000 1.023 206 N CA 1.088 54.183 53.050 0.075 0.000 0.852 206 N CB -0.493 38.031 38.487 0.062 0.000 0.998 206 N HN 0.014 nan 8.380 nan 0.000 0.424 207 F N 0.992 120.904 119.950 -0.063 0.000 2.134 207 F HA 0.048 4.576 4.527 0.001 0.000 0.299 207 F C 2.401 178.215 175.800 0.023 0.000 1.097 207 F CA 0.955 58.936 58.000 -0.031 0.000 1.264 207 F CB -1.092 37.877 39.000 -0.051 0.000 1.001 207 F HN 0.089 nan 8.300 nan 0.000 0.479 208 A N -0.263 122.725 122.820 0.280 0.000 1.933 208 A HA -0.045 4.276 4.320 0.001 0.000 0.218 208 A C 2.418 180.084 177.584 0.137 0.000 1.175 208 A CA 1.830 53.998 52.037 0.217 0.000 0.628 208 A CB -1.173 18.018 19.000 0.319 0.000 0.814 208 A HN 0.304 nan 8.150 nan 0.000 0.444 209 A N -0.474 122.418 122.820 0.119 0.000 1.874 209 A HA -0.013 4.308 4.320 0.001 0.000 0.214 209 A C 2.432 180.041 177.584 0.042 0.000 1.189 209 A CA 2.222 54.298 52.037 0.066 0.000 0.615 209 A CB -1.226 17.820 19.000 0.077 0.000 0.830 209 A HN 0.736 nan 8.150 nan 0.000 0.443 210 T N -1.866 112.703 114.554 0.025 0.000 2.951 210 T HA 0.067 4.417 4.350 0.001 0.000 0.268 210 T C 1.448 176.139 174.700 -0.014 0.000 1.073 210 T CA 1.323 63.410 62.100 -0.022 0.000 1.134 210 T CB -0.340 68.471 68.868 -0.096 0.000 0.884 210 T HN 0.251 nan 8.240 nan 0.000 0.479 211 L N 0.372 121.607 121.223 0.020 0.000 2.607 211 L HA 0.355 4.696 4.340 0.001 0.000 0.228 211 L C 0.133 177.104 176.870 0.169 0.000 1.123 211 L CA -0.074 54.819 54.840 0.089 0.000 0.890 211 L CB -0.530 41.556 42.059 0.044 0.000 1.103 211 L HN 0.291 nan 8.230 nan 0.000 0.468 212 E N 0.013 120.273 120.200 0.100 0.000 2.260 212 E HA -0.188 4.163 4.350 0.001 0.000 0.204 212 E C -0.695 175.948 176.600 0.072 0.000 1.319 212 E CA -0.109 56.332 56.400 0.068 0.000 0.679 212 E CB -1.499 28.229 29.700 0.047 0.000 1.158 212 E HN 0.364 nan 8.360 nan 0.000 0.376 213 C N 1.631 120.976 119.300 0.074 0.000 2.376 213 C HA 0.443 4.904 4.460 0.001 0.000 0.335 213 C C -1.810 173.180 174.990 -0.001 0.000 1.229 213 C CA -1.436 57.615 59.018 0.055 0.000 1.867 213 C CB 0.922 28.713 27.740 0.086 0.000 2.319 213 C HN 0.293 nan 8.230 nan 0.000 0.515 214 P HA 0.332 nan 4.420 nan 0.000 0.247 214 P C -0.706 176.553 177.300 -0.068 0.000 1.756 214 P CA 0.522 63.608 63.100 -0.022 0.000 1.117 214 P CB 0.117 31.800 31.700 -0.027 0.000 1.869 215 I N 2.890 123.388 120.570 -0.121 0.000 2.619 215 I HA 0.431 4.601 4.170 0.001 0.000 0.292 215 I C -1.035 174.901 176.117 -0.302 0.000 1.100 215 I CA -1.736 59.401 61.300 -0.270 0.000 1.043 215 I CB 2.235 39.953 38.000 -0.470 0.000 1.239 215 I HN -0.036 nan 8.210 nan 0.000 0.420 216 I N 7.226 127.639 120.570 -0.261 0.000 2.321 216 I HA 0.285 4.456 4.170 0.001 0.000 0.291 216 I C -1.045 174.951 176.117 -0.201 0.000 0.998 216 I CA -0.429 60.780 61.300 -0.153 0.000 1.227 216 I CB 0.912 38.874 38.000 -0.064 0.000 1.368 216 I HN 0.352 nan 8.210 nan 0.000 0.466 217 F N 6.513 126.503 119.950 0.066 0.000 2.411 217 F HA 0.314 4.842 4.527 0.001 0.000 0.355 217 F C -0.176 175.675 175.800 0.085 0.000 1.117 217 F CA -0.457 57.659 58.000 0.193 0.000 1.139 217 F CB 0.652 39.755 39.000 0.173 0.000 1.120 217 F HN 0.258 nan 8.300 nan 0.000 0.493 218 F N 4.711 124.655 119.950 -0.011 0.000 2.366 218 F HA 0.420 4.947 4.527 0.001 0.000 0.366 218 F C -0.558 174.923 175.800 -0.531 0.000 1.096 218 F CA -1.250 56.602 58.000 -0.248 0.000 1.060 218 F CB 0.545 39.307 39.000 -0.397 0.000 1.282 218 F HN 0.485 nan 8.300 nan 0.000 0.450 219 C N 7.462 126.367 119.300 -0.658 0.000 2.307 219 C HA 0.574 5.035 4.460 0.001 0.000 0.340 219 C C 0.198 174.999 174.990 -0.315 0.000 1.275 219 C CA -0.590 57.968 59.018 -0.767 0.000 1.811 219 C CB -0.143 27.294 27.740 -0.506 0.000 2.372 219 C HN 0.879 nan 8.230 nan 0.000 0.531 220 R N 4.350 124.795 120.500 -0.092 0.000 2.207 220 R HA 0.245 4.585 4.340 0.001 0.000 0.334 220 R C -0.387 175.927 176.300 0.023 0.000 1.013 220 R CA -0.105 56.016 56.100 0.036 0.000 0.858 220 R CB 0.466 30.858 30.300 0.153 0.000 1.094 220 R HN 0.697 nan 8.270 nan 0.000 0.457 221 N N 3.030 121.728 118.700 -0.003 0.000 2.546 221 N HA 0.020 4.761 4.740 0.001 0.000 0.238 221 N C -0.480 175.052 175.510 0.036 0.000 0.984 221 N CA -0.420 52.652 53.050 0.036 0.000 0.935 221 N CB 0.774 39.275 38.487 0.023 0.000 1.122 221 N HN 0.526 nan 8.380 nan 0.000 0.510 222 N N 2.612 121.362 118.700 0.083 0.000 2.238 222 N HA 0.176 4.917 4.740 0.001 0.000 0.222 222 N C 1.037 176.648 175.510 0.168 0.000 1.133 222 N CA 0.173 53.289 53.050 0.110 0.000 0.854 222 N CB 0.105 38.678 38.487 0.144 0.000 1.041 222 N HN 0.577 nan 8.380 nan 0.000 0.510 223 G N -1.065 107.784 108.800 0.082 0.000 2.234 223 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 223 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 223 G C -0.513 174.161 174.900 -0.377 0.000 0.987 223 G CA 0.656 45.708 45.100 -0.080 0.000 0.625 223 G HN 0.445 nan 8.290 nan 0.000 0.532 224 Y N -0.445 119.894 120.300 0.065 0.000 2.544 224 Y HA 0.632 5.182 4.550 0.001 0.000 0.342 224 Y C 0.004 175.941 175.900 0.062 0.000 1.062 224 Y CA -0.392 57.738 58.100 0.051 0.000 1.023 224 Y CB 2.229 40.721 38.460 0.054 0.000 1.308 224 Y HN 0.640 nan 8.280 nan 0.000 0.457 225 A N 4.183 127.125 122.820 0.202 0.000 2.360 225 A HA 0.740 5.061 4.320 0.001 0.000 0.309 225 A C 0.313 177.988 177.584 0.151 0.000 1.311 225 A CA -0.381 51.748 52.037 0.153 0.000 0.805 225 A CB -0.440 18.623 19.000 0.105 0.000 1.144 225 A HN 0.872 nan 8.150 nan 0.000 0.486 226 I N 0.580 121.236 120.570 0.143 0.000 4.904 226 I HA -0.467 3.704 4.170 0.001 0.000 0.038 226 I C 2.151 178.348 176.117 0.133 0.000 0.635 226 I CA 2.161 63.529 61.300 0.113 0.000 0.226 226 I CB -1.174 36.879 38.000 0.087 0.000 0.330 226 I HN 0.806 nan 8.210 nan 0.000 0.150 227 S N -0.355 115.418 115.700 0.122 0.000 2.556 227 S HA 0.130 4.601 4.470 0.001 0.000 0.216 227 S C 0.528 175.255 174.600 0.212 0.000 0.970 227 S CA 0.372 58.653 58.200 0.135 0.000 0.912 227 S CB -0.037 63.211 63.200 0.080 0.000 0.790 227 S HN 0.535 nan 8.310 nan 0.000 0.504 228 T N 6.054 120.719 114.554 0.185 0.000 2.727 228 T HA 0.409 4.759 4.350 0.001 0.000 0.298 228 T C -2.536 172.179 174.700 0.024 0.000 0.942 228 T CA -1.262 60.893 62.100 0.092 0.000 0.997 228 T CB 1.294 70.189 68.868 0.045 0.000 0.917 228 T HN 0.326 nan 8.240 nan 0.000 0.487 229 P HA 0.145 nan 4.420 nan 0.000 0.274 229 P C 1.135 178.214 177.300 -0.369 0.000 1.256 229 P CA -0.399 62.432 63.100 -0.448 0.000 0.795 229 P CB 0.548 32.066 31.700 -0.303 0.000 1.038 230 T N -3.138 111.141 114.554 -0.458 0.000 2.962 230 T HA -0.129 4.221 4.350 0.001 0.000 0.270 230 T C 1.727 176.055 174.700 -0.619 0.000 1.088 230 T CA 1.488 63.241 62.100 -0.578 0.000 1.127 230 T CB -1.323 67.201 68.868 -0.574 0.000 0.883 230 T HN 0.502 nan 8.240 nan 0.000 0.493 231 S N 1.798 117.277 115.700 -0.368 0.000 2.442 231 S HA -0.087 4.384 4.470 0.001 0.000 0.236 231 S C 1.628 176.103 174.600 -0.210 0.000 1.007 231 S CA 0.856 58.901 58.200 -0.258 0.000 0.965 231 S CB -0.423 62.687 63.200 -0.150 0.000 0.773 231 S HN 0.719 nan 8.310 nan 0.000 0.504 232 E N -0.285 119.795 120.200 -0.201 0.000 2.481 232 E HA 0.160 4.511 4.350 0.001 0.000 0.198 232 E C 1.615 178.136 176.600 -0.132 0.000 1.027 232 E CA -0.011 56.312 56.400 -0.128 0.000 0.900 232 E CB 0.165 29.817 29.700 -0.081 0.000 0.993 232 E HN 0.430 nan 8.360 nan 0.000 0.482 233 Q N -0.074 119.586 119.800 -0.233 0.000 2.394 233 Q HA 0.049 4.390 4.340 0.001 0.000 0.218 233 Q C -0.635 175.345 176.000 -0.034 0.000 0.907 233 Q CA 0.615 56.331 55.803 -0.145 0.000 0.919 233 Q CB 0.512 29.143 28.738 -0.179 0.000 1.051 233 Q HN 0.245 nan 8.270 nan 0.000 0.538 234 Y N -4.577 115.713 120.300 -0.016 0.000 2.702 234 Y HA 0.635 5.185 4.550 0.001 0.000 0.336 234 Y C -0.292 175.599 175.900 -0.015 0.000 1.203 234 Y CA -1.175 56.918 58.100 -0.012 0.000 1.072 234 Y CB 0.442 38.902 38.460 -0.000 0.000 1.327 234 Y HN -0.350 nan 8.280 nan 0.000 0.456 235 R N 0.626 121.282 120.500 0.262 0.000 2.531 235 R HA 0.333 4.674 4.340 0.001 0.000 0.316 235 R C 0.443 176.843 176.300 0.167 0.000 0.955 235 R CA 0.247 56.443 56.100 0.159 0.000 1.120 235 R CB 1.245 31.581 30.300 0.061 0.000 1.361 235 R HN 1.002 nan 8.270 nan 0.000 0.534 236 G N 0.472 109.382 108.800 0.183 0.000 2.535 236 G HA2 -0.004 3.957 3.960 0.001 0.000 0.282 236 G HA3 -0.004 3.957 3.960 0.001 0.000 0.282 236 G C -0.569 174.375 174.900 0.074 0.000 1.350 236 G CA -0.254 44.893 45.100 0.078 0.000 1.039 236 G HN -0.008 nan 8.290 nan 0.000 0.509 237 D N -0.131 120.270 120.400 0.002 0.000 2.551 237 D HA 0.419 5.059 4.640 0.001 0.000 0.223 237 D C 1.336 177.570 176.300 -0.110 0.000 1.144 237 D CA 1.119 55.115 54.000 -0.006 0.000 1.025 237 D CB -0.713 40.084 40.800 -0.004 0.000 1.085 237 D HN 0.841 nan 8.370 nan 0.000 0.506 238 G N 2.260 110.911 108.800 -0.249 0.000 2.578 238 G HA2 -0.342 3.619 3.960 0.001 0.000 0.284 238 G HA3 -0.342 3.619 3.960 0.001 0.000 0.284 238 G C 0.815 175.388 174.900 -0.546 0.000 1.283 238 G CA 0.136 44.870 45.100 -0.609 0.000 0.944 238 G HN 0.401 nan 8.290 nan 0.000 0.558 239 I N 1.316 121.691 120.570 -0.325 0.000 2.703 239 I HA 0.218 4.388 4.170 0.001 0.000 0.259 239 I C 3.156 179.253 176.117 -0.033 0.000 1.151 239 I CA 1.887 63.114 61.300 -0.121 0.000 1.470 239 I CB -0.994 37.017 38.000 0.019 0.000 1.112 239 I HN 0.789 nan 8.210 nan 0.000 0.437 240 A N 0.542 123.322 122.820 -0.066 0.000 1.978 240 A HA -0.128 4.192 4.320 0.001 0.000 0.220 240 A C 2.412 179.976 177.584 -0.034 0.000 1.170 240 A CA 1.774 53.781 52.037 -0.050 0.000 0.636 240 A CB -0.891 18.072 19.000 -0.061 0.000 0.810 240 A HN 0.364 nan 8.150 nan 0.000 0.448 241 A N -0.594 122.201 122.820 -0.043 0.000 2.168 241 A HA -0.030 4.291 4.320 0.001 0.000 0.215 241 A C 2.087 179.669 177.584 -0.002 0.000 1.152 241 A CA 1.008 53.029 52.037 -0.027 0.000 0.716 241 A CB -0.358 18.620 19.000 -0.036 0.000 0.794 241 A HN 0.576 nan 8.150 nan 0.000 0.465 242 R N -0.834 119.690 120.500 0.039 0.000 2.200 242 R HA 0.011 4.352 4.340 0.001 0.000 0.208 242 R C 2.313 178.732 176.300 0.197 0.000 1.033 242 R CA 0.679 56.853 56.100 0.124 0.000 1.000 242 R CB -0.344 30.116 30.300 0.266 0.000 0.906 242 R HN 0.481 nan 8.270 nan 0.000 0.462 243 G N 2.498 111.366 108.800 0.113 0.000 2.459 243 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 243 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 243 G C -0.920 174.025 174.900 0.074 0.000 1.183 243 G CA 0.533 45.669 45.100 0.061 0.000 0.776 243 G HN 0.235 nan 8.290 nan 0.000 0.552 244 P HA -0.029 nan 4.420 nan 0.000 0.219 244 P C 2.003 179.293 177.300 -0.018 0.000 1.146 244 P CA 1.574 64.665 63.100 -0.016 0.000 0.808 244 P CB -0.377 31.305 31.700 -0.030 0.000 0.779 245 G N -1.873 106.900 108.800 -0.046 0.000 2.471 245 G HA2 -0.229 3.732 3.960 0.001 0.000 0.219 245 G HA3 -0.229 3.732 3.960 0.001 0.000 0.219 245 G C 0.755 175.539 174.900 -0.195 0.000 1.125 245 G CA 0.431 45.441 45.100 -0.149 0.000 0.775 245 G HN 0.283 nan 8.290 nan 0.000 0.548 246 Y N -0.171 120.135 120.300 0.009 0.000 2.457 246 Y HA 0.351 4.902 4.550 0.001 0.000 0.263 246 Y C 2.014 177.898 175.900 -0.027 0.000 1.164 246 Y CA -0.100 58.006 58.100 0.010 0.000 1.274 246 Y CB 0.492 38.977 38.460 0.042 0.000 1.097 246 Y HN 0.239 nan 8.280 nan 0.000 0.523 247 G N 0.892 109.737 108.800 0.075 0.000 2.136 247 G HA2 -0.285 3.676 3.960 0.001 0.000 0.242 247 G HA3 -0.285 3.676 3.960 0.001 0.000 0.242 247 G C -0.045 174.832 174.900 -0.039 0.000 0.989 247 G CA -0.035 45.069 45.100 0.008 0.000 0.682 247 G HN 0.306 nan 8.290 nan 0.000 0.522 248 I N 1.868 122.411 120.570 -0.043 0.000 2.336 248 I HA 0.343 4.513 4.170 0.001 0.000 0.292 248 I C 0.961 176.955 176.117 -0.205 0.000 0.991 248 I CA -1.074 60.135 61.300 -0.152 0.000 1.227 248 I CB 1.152 39.064 38.000 -0.148 0.000 1.366 248 I HN -0.033 nan 8.210 nan 0.000 0.466 249 M N 4.910 124.289 119.600 -0.370 0.000 2.252 249 M HA 0.134 4.614 4.480 0.001 0.000 0.348 249 M C -0.087 176.097 176.300 -0.195 0.000 1.334 249 M CA 0.800 55.900 55.300 -0.333 0.000 1.071 249 M CB -0.145 32.064 32.600 -0.652 0.000 1.763 249 M HN 0.495 nan 8.290 nan 0.000 0.452 250 S N 3.762 119.413 115.700 -0.083 0.000 2.569 250 S HA 0.847 5.318 4.470 0.001 0.000 0.280 250 S C -0.729 173.854 174.600 -0.029 0.000 1.111 250 S CA -0.807 57.363 58.200 -0.051 0.000 0.887 250 S CB 2.864 66.023 63.200 -0.067 0.000 1.095 250 S HN 0.739 nan 8.310 nan 0.000 0.476 251 I N 1.072 121.619 120.570 -0.038 0.000 2.913 251 I HA 0.561 4.732 4.170 0.001 0.000 0.302 251 I C -1.372 174.708 176.117 -0.063 0.000 1.246 251 I CA -0.784 60.489 61.300 -0.045 0.000 1.010 251 I CB 2.041 40.011 38.000 -0.049 0.000 1.259 251 I HN 0.626 nan 8.210 nan 0.000 0.434 252 R N 5.600 126.077 120.500 -0.038 0.000 2.562 252 R HA 0.798 5.139 4.340 0.001 0.000 0.298 252 R C -1.731 174.576 176.300 0.013 0.000 0.961 252 R CA -0.519 55.555 56.100 -0.044 0.000 0.881 252 R CB 1.893 32.174 30.300 -0.032 0.000 1.159 252 R HN 0.488 nan 8.270 nan 0.000 0.450 253 V N -0.133 119.770 119.914 -0.017 0.000 3.040 253 V HA 0.440 4.560 4.120 0.001 0.000 0.312 253 V C -0.870 175.211 176.094 -0.022 0.000 1.115 253 V CA -1.108 61.217 62.300 0.043 0.000 0.998 253 V CB 1.942 33.813 31.823 0.080 0.000 1.042 253 V HN 0.773 nan 8.190 nan 0.000 0.433 254 D N 2.193 122.574 120.400 -0.031 0.000 2.344 254 D HA 0.321 4.962 4.640 0.001 0.000 0.253 254 D C 1.276 177.540 176.300 -0.059 0.000 1.255 254 D CA 0.801 54.763 54.000 -0.064 0.000 0.894 254 D CB 1.272 42.029 40.800 -0.072 0.000 1.067 254 D HN 0.924 nan 8.370 nan 0.000 0.492 255 G N 3.754 112.510 108.800 -0.074 0.000 2.559 255 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 255 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 255 G C 1.183 176.050 174.900 -0.055 0.000 1.126 255 G CA -0.078 44.997 45.100 -0.041 0.000 0.778 255 G HN 0.462 nan 8.290 nan 0.000 0.543 256 N N 0.734 119.391 118.700 -0.071 0.000 2.398 256 N HA 0.019 4.760 4.740 0.001 0.000 0.188 256 N C -0.487 174.991 175.510 -0.053 0.000 1.122 256 N CA 0.286 53.304 53.050 -0.053 0.000 0.866 256 N CB 0.544 39.032 38.487 0.001 0.000 0.970 256 N HN 0.203 nan 8.380 nan 0.000 0.462 257 D N 0.794 121.154 120.400 -0.067 0.000 2.454 257 D HA 0.070 4.711 4.640 0.001 0.000 0.247 257 D C 1.456 177.687 176.300 -0.114 0.000 1.129 257 D CA -0.493 53.446 54.000 -0.102 0.000 0.877 257 D CB 1.328 42.073 40.800 -0.093 0.000 1.082 257 D HN -0.134 nan 8.370 nan 0.000 0.537 258 V N 2.067 121.850 119.914 -0.218 0.000 2.469 258 V HA -0.160 3.961 4.120 0.001 0.000 0.251 258 V C 1.841 177.891 176.094 -0.073 0.000 1.064 258 V CA 1.093 63.277 62.300 -0.192 0.000 1.066 258 V CB -1.055 30.573 31.823 -0.325 0.000 0.667 258 V HN 0.301 nan 8.190 nan 0.000 0.461 259 F N 1.726 121.637 119.950 -0.065 0.000 2.259 259 F HA 0.286 4.814 4.527 0.001 0.000 0.298 259 F C 2.670 178.485 175.800 0.025 0.000 1.088 259 F CA 0.597 58.567 58.000 -0.050 0.000 1.358 259 F CB -1.350 37.543 39.000 -0.178 0.000 1.040 259 F HN 0.231 nan 8.300 nan 0.000 0.505 260 A N 0.038 122.914 122.820 0.094 0.000 1.898 260 A HA -0.089 4.232 4.320 0.001 0.000 0.216 260 A C 2.427 180.130 177.584 0.199 0.000 1.181 260 A CA 1.779 53.815 52.037 -0.002 0.000 0.620 260 A CB -1.182 17.664 19.000 -0.257 0.000 0.819 260 A HN 0.146 nan 8.150 nan 0.000 0.442 261 V N -1.261 118.749 119.914 0.160 0.000 2.287 261 V HA -0.308 3.812 4.120 0.001 0.000 0.248 261 V C 2.358 178.587 176.094 0.226 0.000 1.053 261 V CA 2.246 64.672 62.300 0.210 0.000 1.027 261 V CB -1.078 30.860 31.823 0.192 0.000 0.646 261 V HN 0.719 nan 8.190 nan 0.000 0.447 262 Y N 1.759 122.128 120.300 0.115 0.000 2.097 262 Y HA -0.271 4.280 4.550 0.001 0.000 0.282 262 Y C 2.551 178.513 175.900 0.104 0.000 1.152 262 Y CA 2.251 60.408 58.100 0.096 0.000 1.136 262 Y CB -0.365 38.171 38.460 0.126 0.000 0.975 262 Y HN 0.277 nan 8.280 nan 0.000 0.498 263 N N 0.419 119.280 118.700 0.268 0.000 2.120 263 N HA -0.176 4.565 4.740 0.001 0.000 0.188 263 N C 1.938 177.463 175.510 0.025 0.000 1.024 263 N CA 1.578 54.723 53.050 0.158 0.000 0.852 263 N CB -0.820 37.870 38.487 0.338 0.000 1.003 263 N HN 0.548 nan 8.380 nan 0.000 0.424 264 A N -0.030 122.852 122.820 0.104 0.000 1.930 264 A HA -0.081 4.240 4.320 0.001 0.000 0.217 264 A C 2.306 179.852 177.584 -0.063 0.000 1.175 264 A CA 1.849 53.887 52.037 0.003 0.000 0.627 264 A CB -0.941 18.099 19.000 0.067 0.000 0.815 264 A HN 0.307 nan 8.150 nan 0.000 0.443 265 T N -0.449 114.081 114.554 -0.040 0.000 2.821 265 T HA -0.092 4.259 4.350 0.001 0.000 0.267 265 T C 2.005 176.579 174.700 -0.210 0.000 1.046 265 T CA 1.714 63.768 62.100 -0.076 0.000 1.139 265 T CB -0.117 68.738 68.868 -0.022 0.000 0.871 265 T HN 0.502 nan 8.240 nan 0.000 0.454 266 K N 1.361 121.562 120.400 -0.332 0.000 2.057 266 K HA -0.092 4.229 4.320 0.001 0.000 0.206 266 K C 2.239 178.683 176.600 -0.261 0.000 1.050 266 K CA 1.336 57.404 56.287 -0.364 0.000 0.935 266 K CB -0.149 32.029 32.500 -0.536 0.000 0.715 266 K HN 0.182 nan 8.250 nan 0.000 0.439 267 E N -0.107 119.949 120.200 -0.240 0.000 2.107 267 E HA -0.013 4.338 4.350 0.001 0.000 0.191 267 E C 1.651 178.004 176.600 -0.412 0.000 0.982 267 E CA 1.338 57.587 56.400 -0.252 0.000 0.809 267 E CB -0.327 29.253 29.700 -0.200 0.000 0.756 267 E HN 0.329 nan 8.360 nan 0.000 0.459 268 A N 1.215 123.766 122.820 -0.449 0.000 1.902 268 A HA -0.191 4.129 4.320 0.001 0.000 0.217 268 A C 2.300 179.529 177.584 -0.591 0.000 1.181 268 A CA 1.648 53.235 52.037 -0.751 0.000 0.623 268 A CB -0.597 18.197 19.000 -0.343 0.000 0.818 268 A HN 0.186 nan 8.150 nan 0.000 0.443 269 R N -0.290 120.011 120.500 -0.331 0.000 2.073 269 R HA -0.134 4.207 4.340 0.001 0.000 0.234 269 R C 2.445 178.611 176.300 -0.223 0.000 1.134 269 R CA 1.691 57.654 56.100 -0.229 0.000 0.952 269 R CB -0.413 29.786 30.300 -0.167 0.000 0.850 269 R HN 0.604 nan 8.270 nan 0.000 0.433 270 R N 0.388 120.749 120.500 -0.231 0.000 2.083 270 R HA -0.125 4.216 4.340 0.001 0.000 0.237 270 R C 2.299 178.488 176.300 -0.185 0.000 1.137 270 R CA 1.722 57.718 56.100 -0.173 0.000 0.951 270 R CB -0.071 30.134 30.300 -0.157 0.000 0.851 270 R HN 0.212 nan 8.270 nan 0.000 0.434 271 R N -0.413 119.900 120.500 -0.311 0.000 2.093 271 R HA 0.035 4.376 4.340 0.001 0.000 0.224 271 R C 2.340 178.591 176.300 -0.082 0.000 1.101 271 R CA 0.969 56.929 56.100 -0.235 0.000 0.979 271 R CB -0.199 29.893 30.300 -0.347 0.000 0.877 271 R HN 0.238 nan 8.270 nan 0.000 0.441 272 A N 0.834 123.544 122.820 -0.184 0.000 1.902 272 A HA -0.111 4.210 4.320 0.001 0.000 0.217 272 A C 2.303 179.897 177.584 0.018 0.000 1.181 272 A CA 1.372 53.455 52.037 0.077 0.000 0.623 272 A CB -0.434 18.583 19.000 0.028 0.000 0.818 272 A HN 0.102 nan 8.150 nan 0.000 0.443 273 V N -0.422 119.467 119.914 -0.042 0.000 2.379 273 V HA -0.141 3.980 4.120 0.001 0.000 0.245 273 V C 3.018 179.099 176.094 -0.022 0.000 1.044 273 V CA 1.674 63.953 62.300 -0.035 0.000 1.036 273 V CB -1.091 30.702 31.823 -0.050 0.000 0.664 273 V HN 0.595 nan 8.190 nan 0.000 0.453 274 A N -0.166 122.640 122.820 -0.024 0.000 1.933 274 A HA -0.208 4.113 4.320 0.001 0.000 0.218 274 A C 2.072 179.660 177.584 0.006 0.000 1.175 274 A CA 1.926 53.955 52.037 -0.013 0.000 0.628 274 A CB -0.289 18.700 19.000 -0.018 0.000 0.814 274 A HN 0.647 nan 8.150 nan 0.000 0.444 275 E N -1.456 118.764 120.200 0.033 0.000 2.473 275 E HA 0.105 4.455 4.350 0.001 0.000 0.204 275 E C -0.551 176.074 176.600 0.041 0.000 0.994 275 E CA -0.117 56.313 56.400 0.049 0.000 0.945 275 E CB 0.066 29.825 29.700 0.099 0.000 0.990 275 E HN 0.679 nan 8.360 nan 0.000 0.493 276 N N 2.496 121.218 118.700 0.036 0.000 2.671 276 N HA -0.220 4.520 4.740 0.001 0.000 0.261 276 N C -0.957 174.574 175.510 0.036 0.000 1.053 276 N CA 0.617 53.679 53.050 0.021 0.000 0.732 276 N CB -0.740 37.742 38.487 -0.007 0.000 0.887 276 N HN 0.342 nan 8.380 nan 0.000 0.546 277 Q N -1.266 118.579 119.800 0.075 0.000 2.416 277 Q HA 0.650 4.990 4.340 0.001 0.000 0.281 277 Q C -3.292 172.734 176.000 0.043 0.000 1.067 277 Q CA -1.991 53.828 55.803 0.027 0.000 0.809 277 Q CB 3.225 31.941 28.738 -0.037 0.000 1.418 277 Q HN -0.112 nan 8.270 nan 0.000 0.411 278 P HA 0.298 nan 4.420 nan 0.000 0.277 278 P C -1.271 175.896 177.300 -0.221 0.000 1.240 278 P CA -0.160 62.904 63.100 -0.060 0.000 0.798 278 P CB 0.529 32.227 31.700 -0.003 0.000 0.979 279 F N 0.898 120.801 119.950 -0.079 0.000 2.551 279 F HA 0.454 4.981 4.527 0.001 0.000 0.316 279 F C -0.017 175.774 175.800 -0.015 0.000 1.089 279 F CA -0.956 57.012 58.000 -0.053 0.000 0.915 279 F CB 1.866 40.822 39.000 -0.074 0.000 1.186 279 F HN 0.068 nan 8.300 nan 0.000 0.456 280 L N 4.494 125.762 121.223 0.075 0.000 2.333 280 L HA 0.693 5.033 4.340 0.001 0.000 0.280 280 L C -1.274 175.577 176.870 -0.031 0.000 1.004 280 L CA -0.382 54.472 54.840 0.024 0.000 0.820 280 L CB 1.054 43.032 42.059 -0.135 0.000 1.247 280 L HN 0.484 nan 8.230 nan 0.000 0.416 281 I N 4.368 124.864 120.570 -0.123 0.000 2.406 281 I HA 0.397 4.568 4.170 0.001 0.000 0.290 281 I C -0.447 175.395 176.117 -0.458 0.000 0.999 281 I CA -0.477 60.647 61.300 -0.293 0.000 1.124 281 I CB 1.875 39.619 38.000 -0.427 0.000 1.289 281 I HN 0.632 nan 8.210 nan 0.000 0.441 282 E N 5.873 125.874 120.200 -0.332 0.000 2.113 282 E HA 0.620 4.971 4.350 0.001 0.000 0.273 282 E C -1.013 175.400 176.600 -0.312 0.000 0.924 282 E CA -0.714 55.497 56.400 -0.315 0.000 0.764 282 E CB 1.426 31.026 29.700 -0.167 0.000 1.104 282 E HN 0.711 nan 8.360 nan 0.000 0.406 283 A N 6.228 128.818 122.820 -0.383 0.000 2.249 283 A HA 0.434 4.755 4.320 0.001 0.000 0.314 283 A C -0.294 177.213 177.584 -0.127 0.000 1.290 283 A CA -0.723 51.175 52.037 -0.231 0.000 0.893 283 A CB 0.461 19.358 19.000 -0.172 0.000 1.165 283 A HN 0.620 nan 8.150 nan 0.000 0.530 284 M N 3.236 122.766 119.600 -0.117 0.000 2.146 284 M HA 0.372 4.853 4.480 0.001 0.000 0.357 284 M C 0.542 176.723 176.300 -0.198 0.000 1.261 284 M CA 0.148 55.368 55.300 -0.134 0.000 1.106 284 M CB 0.161 32.681 32.600 -0.134 0.000 1.612 284 M HN 0.873 nan 8.290 nan 0.000 0.470 285 T N -0.203 114.226 114.554 -0.207 0.000 2.716 285 T HA 0.724 5.075 4.350 0.001 0.000 0.286 285 T C -1.197 173.306 174.700 -0.327 0.000 1.052 285 T CA -0.690 61.239 62.100 -0.286 0.000 1.024 285 T CB 1.346 70.162 68.868 -0.087 0.000 1.349 285 T HN 0.382 nan 8.240 nan 0.000 0.525 286 Y N 0.183 120.518 120.300 0.058 0.000 2.335 286 Y HA 0.567 5.118 4.550 0.001 0.000 0.338 286 Y C 0.799 176.752 175.900 0.089 0.000 0.977 286 Y CA -1.270 56.879 58.100 0.083 0.000 1.114 286 Y CB 1.341 39.840 38.460 0.064 0.000 1.182 286 Y HN 0.532 nan 8.280 nan 0.000 0.463 287 R N 4.004 124.666 120.500 0.269 0.000 2.291 287 R HA 0.239 4.580 4.340 0.001 0.000 0.333 287 R C 0.467 176.854 176.300 0.145 0.000 1.082 287 R CA 0.329 56.538 56.100 0.181 0.000 0.948 287 R CB 0.056 30.456 30.300 0.167 0.000 1.009 287 R HN 0.920 nan 8.270 nan 0.000 0.460 288 I N 2.528 123.190 120.570 0.154 0.000 2.429 288 I HA 0.020 4.191 4.170 0.001 0.000 0.247 288 I C 1.572 177.761 176.117 0.121 0.000 1.099 288 I CA 0.584 61.970 61.300 0.143 0.000 1.422 288 I CB -0.161 37.953 38.000 0.190 0.000 1.112 288 I HN 0.658 nan 8.210 nan 0.000 0.430 314 H N 0.750 119.886 119.070 0.111 0.000 2.851 314 H HA 0.396 4.952 4.556 0.001 0.000 0.372 314 H C -2.151 173.223 175.328 0.077 0.000 1.158 314 H CA -1.697 54.410 56.048 0.100 0.000 1.159 314 H CB 2.740 32.538 29.762 0.061 0.000 1.757 314 H HN -0.105 nan 8.280 nan 0.000 0.546 315 P HA -0.080 nan 4.420 nan 0.000 0.218 315 P C 1.616 179.012 177.300 0.160 0.000 1.149 315 P CA 0.977 64.078 63.100 0.002 0.000 0.817 315 P CB 0.755 32.387 31.700 -0.114 0.000 0.785 316 I N -0.282 120.545 120.570 0.428 0.000 2.252 316 I HA -0.178 3.993 4.170 0.001 0.000 0.245 316 I C 2.480 178.720 176.117 0.204 0.000 1.102 316 I CA 1.297 62.761 61.300 0.272 0.000 1.385 316 I CB -0.709 37.399 38.000 0.181 0.000 1.064 316 I HN -0.064 nan 8.210 nan 0.000 0.414 317 S N 0.302 116.097 115.700 0.159 0.000 2.368 317 S HA -0.212 4.258 4.470 0.001 0.000 0.225 317 S C 2.086 176.666 174.600 -0.034 0.000 1.030 317 S CA 1.323 59.520 58.200 -0.005 0.000 0.999 317 S CB -0.324 62.922 63.200 0.077 0.000 0.844 317 S HN 0.343 nan 8.310 nan 0.000 0.459 318 R N 0.390 120.970 120.500 0.133 0.000 2.066 318 R HA -0.038 4.303 4.340 0.001 0.000 0.232 318 R C 2.297 178.658 176.300 0.102 0.000 1.131 318 R CA 1.150 57.356 56.100 0.176 0.000 0.955 318 R CB -0.389 29.975 30.300 0.107 0.000 0.851 318 R HN 0.314 nan 8.270 nan 0.000 0.432 319 L N 1.240 122.480 121.223 0.028 0.000 2.093 319 L HA -0.108 4.233 4.340 0.001 0.000 0.208 319 L C 2.423 179.278 176.870 -0.025 0.000 1.085 319 L CA 1.662 56.493 54.840 -0.014 0.000 0.755 319 L CB -0.532 41.504 42.059 -0.039 0.000 0.904 319 L HN 0.106 nan 8.230 nan 0.000 0.435 320 R N -1.571 118.878 120.500 -0.086 0.000 2.091 320 R HA -0.209 4.132 4.340 0.001 0.000 0.238 320 R C 2.319 178.541 176.300 -0.130 0.000 1.136 320 R CA 1.662 57.603 56.100 -0.264 0.000 0.959 320 R CB -0.362 29.841 30.300 -0.162 0.000 0.856 320 R HN 0.533 nan 8.270 nan 0.000 0.437 321 H N -0.938 118.158 119.070 0.043 0.000 2.352 321 H HA -0.205 4.352 4.556 0.001 0.000 0.299 321 H C 1.837 177.183 175.328 0.029 0.000 1.097 321 H CA 1.809 57.883 56.048 0.043 0.000 1.311 321 H CB -0.785 29.011 29.762 0.056 0.000 1.377 321 H HN 0.337 nan 8.280 nan 0.000 0.504 322 Y N 1.569 121.912 120.300 0.072 0.000 2.128 322 Y HA -0.225 4.326 4.550 0.001 0.000 0.284 322 Y C 2.609 178.471 175.900 -0.063 0.000 1.154 322 Y CA 1.258 59.368 58.100 0.015 0.000 1.149 322 Y CB -0.646 37.853 38.460 0.066 0.000 0.976 322 Y HN 0.020 nan 8.280 nan 0.000 0.505 323 L N -0.446 120.744 121.223 -0.054 0.000 2.042 323 L HA -0.201 4.140 4.340 0.001 0.000 0.210 323 L C 0.478 177.281 176.870 -0.111 0.000 1.076 323 L CA 0.672 55.459 54.840 -0.088 0.000 0.749 323 L CB -0.619 41.374 42.059 -0.110 0.000 0.893 323 L HN 0.120 nan 8.230 nan 0.000 0.432 324 L N -0.316 120.879 121.223 -0.046 0.000 2.387 324 L HA 0.132 4.473 4.340 0.001 0.000 0.267 324 L C 0.597 177.403 176.870 -0.107 0.000 1.197 324 L CA 0.779 55.607 54.840 -0.019 0.000 1.070 324 L CB 0.459 42.557 42.059 0.066 0.000 1.349 324 L HN 0.014 nan 8.230 nan 0.000 0.422 325 S N -0.842 114.717 115.700 -0.235 0.000 1.775 325 S HA -0.048 4.423 4.470 0.001 0.000 0.162 325 S C 1.296 175.645 174.600 -0.418 0.000 0.678 325 S CA -0.319 57.716 58.200 -0.275 0.000 1.725 325 S CB -0.116 62.918 63.200 -0.277 0.000 1.064 325 S HN 0.487 nan 8.310 nan 0.000 0.410 326 Q N 0.814 120.228 119.800 -0.644 0.000 2.396 326 Q HA 0.369 4.710 4.340 0.001 0.000 0.209 326 Q C 1.374 177.085 176.000 -0.481 0.000 0.906 326 Q CA 1.142 56.454 55.803 -0.818 0.000 0.927 326 Q CB 0.450 28.098 28.738 -1.817 0.000 1.069 326 Q HN 0.764 nan 8.270 nan 0.000 0.523 327 G N -0.012 108.653 108.800 -0.226 0.000 2.130 327 G HA2 -0.157 3.804 3.960 0.001 0.000 0.216 327 G HA3 -0.157 3.804 3.960 0.001 0.000 0.216 327 G C -0.046 175.026 174.900 0.287 0.000 0.999 327 G CA 0.131 45.249 45.100 0.030 0.000 0.686 327 G HN 0.245 nan 8.290 nan 0.000 0.515 328 W N -0.396 120.926 121.300 0.037 0.000 3.132 328 W HA 0.620 5.281 4.660 0.002 0.000 0.364 328 W C 0.792 177.474 176.519 0.272 0.000 1.129 328 W CA -1.381 56.025 57.345 0.102 0.000 1.815 328 W CB -0.431 29.066 29.460 0.061 0.000 1.099 328 W HN 0.334 nan 8.180 nan 0.000 0.605 329 W N 1.645 122.996 121.300 0.084 0.000 3.057 329 W HA 0.299 4.960 4.660 0.001 0.000 0.328 329 W C -1.660 174.858 176.519 -0.003 0.000 1.232 329 W CA -0.640 56.708 57.345 0.004 0.000 1.187 329 W CB 1.504 30.907 29.460 -0.095 0.000 1.417 329 W HN -0.072 nan 8.180 nan 0.000 0.569 330 D N -0.456 119.776 120.400 -0.280 0.000 2.713 330 D HA 0.162 4.803 4.640 0.001 0.000 0.306 330 D C 0.318 176.433 176.300 -0.308 0.000 1.299 330 D CA -0.422 53.471 54.000 -0.179 0.000 0.823 330 D CB 0.665 41.392 40.800 -0.121 0.000 1.353 330 D HN 0.200 nan 8.370 nan 0.000 0.447 331 E N -0.031 120.082 120.200 -0.145 0.000 2.110 331 E HA -0.183 4.168 4.350 0.001 0.000 0.193 331 E C 1.387 177.897 176.600 -0.150 0.000 0.988 331 E CA 1.176 57.513 56.400 -0.106 0.000 0.804 331 E CB 0.037 29.713 29.700 -0.041 0.000 0.745 331 E HN 0.708 nan 8.360 nan 0.000 0.458 332 E N 1.050 121.147 120.200 -0.172 0.000 2.051 332 E HA -0.204 4.147 4.350 0.001 0.000 0.192 332 E C 2.080 178.537 176.600 -0.238 0.000 0.991 332 E CA 1.137 57.443 56.400 -0.156 0.000 0.799 332 E CB 0.112 29.737 29.700 -0.124 0.000 0.748 332 E HN 0.235 nan 8.360 nan 0.000 0.449 333 Q N -0.080 119.442 119.800 -0.463 0.000 2.119 333 Q HA -0.217 4.124 4.340 0.001 0.000 0.201 333 Q C 2.099 177.711 176.000 -0.647 0.000 0.972 333 Q CA 1.527 56.890 55.803 -0.734 0.000 0.847 333 Q CB -0.059 27.874 28.738 -1.341 0.000 0.903 333 Q HN 0.223 nan 8.270 nan 0.000 0.433 334 E N 1.387 121.246 120.200 -0.568 0.000 2.051 334 E HA -0.194 4.157 4.350 0.001 0.000 0.192 334 E C 1.579 178.292 176.600 0.188 0.000 0.991 334 E CA 1.482 57.968 56.400 0.143 0.000 0.799 334 E CB 0.111 29.973 29.700 0.269 0.000 0.748 334 E HN 0.151 nan 8.360 nan 0.000 0.449 335 K N -0.169 120.255 120.400 0.040 0.000 2.063 335 K HA -0.105 4.216 4.320 0.001 0.000 0.208 335 K C 2.164 178.794 176.600 0.050 0.000 1.048 335 K CA 1.277 57.587 56.287 0.038 0.000 0.928 335 K CB -0.242 32.256 32.500 -0.004 0.000 0.713 335 K HN 0.227 nan 8.250 nan 0.000 0.442 336 A N 1.032 123.879 122.820 0.045 0.000 1.930 336 A HA -0.176 4.145 4.320 0.001 0.000 0.217 336 A C 1.912 179.603 177.584 0.179 0.000 1.175 336 A CA 1.013 53.094 52.037 0.074 0.000 0.627 336 A CB -0.817 18.213 19.000 0.051 0.000 0.815 336 A HN 0.657 nan 8.150 nan 0.000 0.443 337 W N 0.649 122.004 121.300 0.093 0.000 2.418 337 W HA -0.112 4.549 4.660 0.001 0.000 0.292 337 W C 2.205 178.807 176.519 0.138 0.000 1.213 337 W CA 1.244 58.702 57.345 0.189 0.000 1.283 337 W CB -0.201 29.525 29.460 0.442 0.000 1.119 337 W HN 0.373 nan 8.180 nan 0.000 0.542 338 R N 1.334 121.815 120.500 -0.031 0.000 2.105 338 R HA -0.225 4.116 4.340 0.001 0.000 0.239 338 R C 2.438 178.609 176.300 -0.214 0.000 1.135 338 R CA 2.126 58.118 56.100 -0.180 0.000 0.967 338 R CB -0.483 29.808 30.300 -0.015 0.000 0.861 338 R HN 0.072 nan 8.270 nan 0.000 0.442 339 K N 0.206 120.533 120.400 -0.121 0.000 2.025 339 K HA -0.222 4.098 4.320 0.001 0.000 0.207 339 K C 2.179 178.691 176.600 -0.146 0.000 1.049 339 K CA 1.753 57.977 56.287 -0.105 0.000 0.933 339 K CB -0.102 32.371 32.500 -0.046 0.000 0.714 339 K HN 0.234 nan 8.250 nan 0.000 0.438 340 Q N 0.485 120.194 119.800 -0.151 0.000 2.084 340 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 340 Q C 1.969 177.791 176.000 -0.297 0.000 0.978 340 Q CA 2.194 57.914 55.803 -0.138 0.000 0.844 340 Q CB -0.075 28.667 28.738 0.007 0.000 0.898 340 Q HN 0.468 nan 8.270 nan 0.000 0.426 341 S N -0.008 115.317 115.700 -0.625 0.000 2.368 341 S HA -0.172 4.299 4.470 0.001 0.000 0.224 341 S C 1.982 176.375 174.600 -0.345 0.000 1.029 341 S CA 0.945 58.738 58.200 -0.678 0.000 0.988 341 S CB -0.424 62.079 63.200 -1.161 0.000 0.838 341 S HN 0.376 nan 8.310 nan 0.000 0.462 342 R N 1.573 121.902 120.500 -0.286 0.000 2.081 342 R HA -0.054 4.286 4.340 0.001 0.000 0.235 342 R C 2.765 178.984 176.300 -0.135 0.000 1.131 342 R CA 1.425 57.415 56.100 -0.184 0.000 0.960 342 R CB -0.309 29.899 30.300 -0.154 0.000 0.856 342 R HN 0.579 nan 8.270 nan 0.000 0.436 343 R N 0.902 121.328 120.500 -0.123 0.000 2.073 343 R HA -0.149 4.192 4.340 0.001 0.000 0.234 343 R C 1.920 178.184 176.300 -0.059 0.000 1.134 343 R CA 1.877 57.931 56.100 -0.076 0.000 0.952 343 R CB -0.092 30.172 30.300 -0.060 0.000 0.850 343 R HN 0.147 nan 8.270 nan 0.000 0.433 344 K N -0.011 120.345 120.400 -0.073 0.000 2.063 344 K HA -0.102 4.219 4.320 0.001 0.000 0.208 344 K C 2.079 178.663 176.600 -0.026 0.000 1.048 344 K CA 1.674 57.936 56.287 -0.041 0.000 0.928 344 K CB -0.106 32.370 32.500 -0.039 0.000 0.713 344 K HN 0.042 nan 8.250 nan 0.000 0.442 345 V N 1.342 121.226 119.914 -0.051 0.000 2.295 345 V HA -0.262 3.859 4.120 0.001 0.000 0.246 345 V C 2.306 178.410 176.094 0.017 0.000 1.049 345 V CA 1.518 63.804 62.300 -0.023 0.000 1.024 345 V CB -0.321 31.462 31.823 -0.068 0.000 0.648 345 V HN 0.360 nan 8.190 nan 0.000 0.447 346 M N -0.505 119.083 119.600 -0.020 0.000 2.229 346 M HA -0.134 4.347 4.480 0.001 0.000 0.264 346 M C 2.166 178.508 176.300 0.071 0.000 1.063 346 M CA 1.491 56.803 55.300 0.020 0.000 1.114 346 M CB -1.178 31.397 32.600 -0.042 0.000 1.387 346 M HN 0.554 nan 8.290 nan 0.000 0.420 347 E N 0.330 120.546 120.200 0.027 0.000 2.077 347 E HA -0.164 4.187 4.350 0.001 0.000 0.193 347 E C 1.931 178.544 176.600 0.022 0.000 0.989 347 E CA 1.484 57.895 56.400 0.017 0.000 0.800 347 E CB 0.107 29.807 29.700 -0.001 0.000 0.746 347 E HN 0.413 nan 8.360 nan 0.000 0.452 348 A N 0.446 123.288 122.820 0.036 0.000 1.930 348 A HA -0.129 4.192 4.320 0.001 0.000 0.217 348 A C 1.970 179.572 177.584 0.029 0.000 1.175 348 A CA 1.054 53.106 52.037 0.024 0.000 0.627 348 A CB -0.818 18.209 19.000 0.044 0.000 0.815 348 A HN 0.499 nan 8.150 nan 0.000 0.443 349 F N 1.038 120.949 119.950 -0.066 0.000 2.102 349 F HA -0.160 4.368 4.527 0.001 0.000 0.298 349 F C 2.197 177.904 175.800 -0.155 0.000 1.105 349 F CA 2.203 60.150 58.000 -0.088 0.000 1.239 349 F CB -0.279 38.690 39.000 -0.052 0.000 0.991 349 F HN 0.361 nan 8.300 nan 0.000 0.474 350 E N -0.338 119.881 120.200 0.031 0.000 2.058 350 E HA -0.329 4.022 4.350 0.001 0.000 0.194 350 E C 2.212 178.693 176.600 -0.197 0.000 0.997 350 E CA 1.511 57.857 56.400 -0.090 0.000 0.801 350 E CB -0.415 29.287 29.700 0.003 0.000 0.746 350 E HN 0.584 nan 8.360 nan 0.000 0.450 351 Q N 0.518 120.227 119.800 -0.152 0.000 2.084 351 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 351 Q C 2.115 177.960 176.000 -0.259 0.000 0.978 351 Q CA 1.479 57.187 55.803 -0.159 0.000 0.844 351 Q CB -0.112 28.563 28.738 -0.105 0.000 0.898 351 Q HN 0.245 nan 8.270 nan 0.000 0.426 352 A N 0.847 123.447 122.820 -0.367 0.000 1.930 352 A HA -0.169 4.152 4.320 0.001 0.000 0.217 352 A C 1.777 178.892 177.584 -0.782 0.000 1.175 352 A CA 1.419 53.151 52.037 -0.508 0.000 0.627 352 A CB -0.403 18.272 19.000 -0.541 0.000 0.815 352 A HN 0.501 nan 8.150 nan 0.000 0.443 353 E N -0.437 119.203 120.200 -0.933 0.000 2.208 353 E HA -0.183 4.168 4.350 0.001 0.000 0.193 353 E C 2.217 178.539 176.600 -0.463 0.000 0.988 353 E CA 1.128 57.021 56.400 -0.844 0.000 0.828 353 E CB -0.150 29.103 29.700 -0.746 0.000 0.763 353 E HN 0.821 nan 8.360 nan 0.000 0.478 354 R N 1.542 121.838 120.500 -0.341 0.000 2.119 354 R HA 0.038 4.379 4.340 0.001 0.000 0.222 354 R C 0.702 176.911 176.300 -0.153 0.000 1.088 354 R CA 0.419 56.397 56.100 -0.204 0.000 0.984 354 R CB -0.150 30.067 30.300 -0.139 0.000 0.884 354 R HN -0.149 nan 8.270 nan 0.000 0.447 355 K N 2.799 123.093 120.400 -0.178 0.000 2.355 355 K HA 0.151 4.472 4.320 0.001 0.000 0.270 355 K C -2.111 174.436 176.600 -0.088 0.000 1.003 355 K CA -1.739 54.482 56.287 -0.111 0.000 0.957 355 K CB 0.503 32.934 32.500 -0.115 0.000 0.939 355 K HN 0.128 nan 8.250 nan 0.000 0.482 356 P HA 0.062 nan 4.420 nan 0.000 0.274 356 P C -0.805 176.432 177.300 -0.106 0.000 1.256 356 P CA -0.333 62.749 63.100 -0.031 0.000 0.795 356 P CB 0.626 32.331 31.700 0.009 0.000 1.038 357 K N 0.489 120.746 120.400 -0.238 0.000 2.107 357 K HA 0.436 4.757 4.320 0.001 0.000 0.251 357 K C -2.123 174.427 176.600 -0.082 0.000 1.012 357 K CA -2.284 53.820 56.287 -0.306 0.000 0.920 357 K CB -1.119 30.847 32.500 -0.890 0.000 1.033 357 K HN 0.313 nan 8.250 nan 0.000 0.478 358 P HA 0.057 nan 4.420 nan 0.000 0.274 358 P C -0.272 177.182 177.300 0.257 0.000 1.246 358 P CA -0.528 62.649 63.100 0.129 0.000 0.795 358 P CB 0.366 32.136 31.700 0.116 0.000 1.006 359 N N 1.953 120.767 118.700 0.190 0.000 2.411 359 N HA -0.030 4.711 4.740 0.001 0.000 0.261 359 N C -1.515 174.104 175.510 0.182 0.000 1.248 359 N CA -1.029 52.135 53.050 0.191 0.000 0.885 359 N CB -0.073 38.488 38.487 0.122 0.000 1.062 359 N HN 0.167 nan 8.380 nan 0.000 0.471 360 P HA -0.089 nan 4.420 nan 0.000 0.220 360 P C 0.774 178.141 177.300 0.112 0.000 1.144 360 P CA 0.846 63.969 63.100 0.038 0.000 0.800 360 P CB 0.276 31.909 31.700 -0.111 0.000 0.772 361 N N -0.515 118.280 118.700 0.157 0.000 2.272 361 N HA -0.115 4.626 4.740 0.001 0.000 0.185 361 N C 1.482 177.147 175.510 0.259 0.000 1.014 361 N CA 0.933 54.133 53.050 0.250 0.000 0.870 361 N CB -0.698 37.875 38.487 0.144 0.000 0.975 361 N HN 0.258 nan 8.380 nan 0.000 0.433 362 L N 0.787 122.104 121.223 0.155 0.000 2.633 362 L HA -0.034 4.306 4.340 0.001 0.000 0.235 362 L C 2.167 179.071 176.870 0.057 0.000 1.163 362 L CA 0.063 54.972 54.840 0.115 0.000 0.859 362 L CB -0.286 41.831 42.059 0.097 0.000 0.973 362 L HN 0.191 nan 8.230 nan 0.000 0.451 363 L N -0.918 120.297 121.223 -0.013 0.000 2.131 363 L HA -0.215 4.126 4.340 0.001 0.000 0.210 363 L C 1.885 178.564 176.870 -0.317 0.000 1.092 363 L CA 1.600 56.292 54.840 -0.247 0.000 0.759 363 L CB -0.049 41.721 42.059 -0.483 0.000 0.903 363 L HN 0.140 nan 8.230 nan 0.000 0.435 364 F N -0.885 119.078 119.950 0.021 0.000 2.714 364 F HA 0.130 4.658 4.527 0.001 0.000 0.294 364 F C 1.708 177.530 175.800 0.037 0.000 1.120 364 F CA 0.060 58.076 58.000 0.026 0.000 1.398 364 F CB -0.169 38.846 39.000 0.024 0.000 1.120 364 F HN 0.062 nan 8.300 nan 0.000 0.589 365 S N -0.655 115.161 115.700 0.192 0.000 2.652 365 S HA 0.232 4.703 4.470 0.001 0.000 0.270 365 S C 0.279 174.932 174.600 0.089 0.000 1.243 365 S CA -0.460 57.823 58.200 0.138 0.000 0.999 365 S CB 1.162 64.429 63.200 0.113 0.000 0.973 365 S HN 0.329 nan 8.310 nan 0.000 0.544 366 D N -0.983 119.467 120.400 0.083 0.000 3.046 366 D HA -0.145 4.496 4.640 0.001 0.000 0.210 366 D C 0.977 177.283 176.300 0.010 0.000 1.124 366 D CA 0.961 54.992 54.000 0.051 0.000 0.986 366 D CB -1.953 38.868 40.800 0.035 0.000 1.118 366 D HN 0.331 nan 8.370 nan 0.000 0.416 367 V N -0.853 119.070 119.914 0.014 0.000 2.261 367 V HA -0.181 3.940 4.120 0.001 0.000 0.246 367 V C 1.237 177.143 176.094 -0.313 0.000 1.047 367 V CA 1.787 64.020 62.300 -0.112 0.000 1.015 367 V CB -0.284 31.521 31.823 -0.029 0.000 0.642 367 V HN 0.231 nan 8.190 nan 0.000 0.446 368 Y N -1.500 118.824 120.300 0.040 0.000 2.602 368 Y HA 0.321 4.872 4.550 0.001 0.000 0.330 368 Y C 1.402 177.323 175.900 0.036 0.000 1.114 368 Y CA -0.538 57.583 58.100 0.035 0.000 1.182 368 Y CB 0.947 39.427 38.460 0.033 0.000 1.305 368 Y HN -0.156 nan 8.280 nan 0.000 0.502 369 Q N 0.539 120.460 119.800 0.201 0.000 2.002 369 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 369 Q C 0.516 176.587 176.000 0.118 0.000 0.988 369 Q CA 1.524 57.400 55.803 0.121 0.000 0.843 369 Q CB -0.092 28.704 28.738 0.097 0.000 0.908 369 Q HN 0.753 nan 8.270 nan 0.000 0.420 370 E N 0.388 120.659 120.200 0.118 0.000 2.376 370 E HA 0.024 4.374 4.350 0.001 0.000 0.254 370 E C -0.548 176.119 176.600 0.112 0.000 1.213 370 E CA -0.173 56.278 56.400 0.084 0.000 0.945 370 E CB 0.469 30.196 29.700 0.045 0.000 1.057 370 E HN 0.291 nan 8.360 nan 0.000 0.479 371 M N 1.536 121.181 119.600 0.076 0.000 2.088 371 M HA 0.297 4.778 4.480 0.001 0.000 0.346 371 M C -2.339 173.976 176.300 0.025 0.000 1.111 371 M CA -2.076 53.275 55.300 0.085 0.000 1.017 371 M CB 1.502 34.144 32.600 0.070 0.000 1.568 371 M HN 0.217 nan 8.290 nan 0.000 0.445 372 P HA 0.077 nan 4.420 nan 0.000 0.269 372 P C -0.248 177.033 177.300 -0.032 0.000 1.215 372 P CA 0.084 63.142 63.100 -0.070 0.000 0.780 372 P CB 0.662 32.279 31.700 -0.138 0.000 0.898 373 A N 2.425 125.219 122.820 -0.043 0.000 1.940 373 A HA -0.230 4.090 4.320 0.001 0.000 0.219 373 A C 1.933 179.498 177.584 -0.032 0.000 1.176 373 A CA 1.462 53.478 52.037 -0.035 0.000 0.631 373 A CB -0.987 17.993 19.000 -0.034 0.000 0.814 373 A HN 0.514 nan 8.150 nan 0.000 0.446 374 Q N -1.187 118.598 119.800 -0.025 0.000 2.224 374 Q HA -0.094 4.246 4.340 0.001 0.000 0.203 374 Q C 1.986 177.987 176.000 0.001 0.000 0.970 374 Q CA 1.049 56.844 55.803 -0.012 0.000 0.865 374 Q CB -0.339 28.397 28.738 -0.004 0.000 0.922 374 Q HN 0.598 nan 8.270 nan 0.000 0.445 375 L N 0.626 121.863 121.223 0.023 0.000 2.131 375 L HA -0.062 4.279 4.340 0.001 0.000 0.206 375 L C 2.446 179.280 176.870 -0.061 0.000 1.087 375 L CA 1.476 56.353 54.840 0.063 0.000 0.767 375 L CB -0.373 41.778 42.059 0.154 0.000 0.917 375 L HN 0.012 nan 8.230 nan 0.000 0.441 376 R N -0.278 120.178 120.500 -0.073 0.000 2.105 376 R HA -0.234 4.107 4.340 0.001 0.000 0.239 376 R C 2.411 178.603 176.300 -0.181 0.000 1.135 376 R CA 1.864 57.878 56.100 -0.142 0.000 0.967 376 R CB -0.221 30.032 30.300 -0.079 0.000 0.861 376 R HN 0.345 nan 8.270 nan 0.000 0.442 377 K N 0.251 120.581 120.400 -0.116 0.000 2.057 377 K HA -0.217 4.104 4.320 0.001 0.000 0.207 377 K C 2.021 178.537 176.600 -0.140 0.000 1.049 377 K CA 1.866 58.093 56.287 -0.101 0.000 0.931 377 K CB 0.025 32.493 32.500 -0.054 0.000 0.714 377 K HN 0.336 nan 8.250 nan 0.000 0.440 378 Q N 0.152 119.862 119.800 -0.149 0.000 2.119 378 Q HA -0.207 4.134 4.340 0.001 0.000 0.201 378 Q C 2.230 177.947 176.000 -0.471 0.000 0.972 378 Q CA 1.538 57.255 55.803 -0.143 0.000 0.847 378 Q CB -0.032 28.752 28.738 0.076 0.000 0.903 378 Q HN 0.434 nan 8.270 nan 0.000 0.433 379 Q N 0.991 120.172 119.800 -1.030 0.000 2.096 379 Q HA -0.234 4.107 4.340 0.001 0.000 0.204 379 Q C 1.526 177.225 176.000 -0.502 0.000 0.982 379 Q CA 1.476 56.453 55.803 -1.376 0.000 0.850 379 Q CB 0.138 28.168 28.738 -1.181 0.000 0.901 379 Q HN 0.414 nan 8.270 nan 0.000 0.422 380 E N -0.352 119.662 120.200 -0.310 0.000 2.106 380 E HA -0.147 4.203 4.350 0.001 0.000 0.192 380 E C 2.030 178.572 176.600 -0.097 0.000 0.984 380 E CA 1.011 57.318 56.400 -0.155 0.000 0.806 380 E CB -0.076 29.557 29.700 -0.111 0.000 0.750 380 E HN 0.210 nan 8.360 nan 0.000 0.458 381 S N 0.780 116.423 115.700 -0.096 0.000 2.359 381 S HA -0.170 4.301 4.470 0.001 0.000 0.224 381 S C 1.990 176.603 174.600 0.022 0.000 1.035 381 S CA 0.979 59.165 58.200 -0.022 0.000 1.018 381 S CB -0.175 63.013 63.200 -0.019 0.000 0.876 381 S HN 0.215 nan 8.310 nan 0.000 0.448 382 L N 1.774 122.998 121.223 0.003 0.000 2.046 382 L HA 0.084 4.425 4.340 0.001 0.000 0.208 382 L C 2.451 179.353 176.870 0.054 0.000 1.077 382 L CA 2.123 57.002 54.840 0.065 0.000 0.747 382 L CB -1.194 40.962 42.059 0.162 0.000 0.896 382 L HN 0.340 nan 8.230 nan 0.000 0.432 383 A N -0.469 122.353 122.820 0.003 0.000 1.873 383 A HA -0.194 4.126 4.320 0.001 0.000 0.215 383 A C 2.426 180.017 177.584 0.012 0.000 1.186 383 A CA 1.664 53.698 52.037 -0.004 0.000 0.616 383 A CB -0.529 18.453 19.000 -0.029 0.000 0.823 383 A HN 0.490 nan 8.150 nan 0.000 0.442 384 R N -1.698 118.817 120.500 0.025 0.000 2.081 384 R HA -0.180 4.161 4.340 0.001 0.000 0.235 384 R C 2.248 178.595 176.300 0.080 0.000 1.131 384 R CA 1.702 57.825 56.100 0.039 0.000 0.960 384 R CB -0.563 29.765 30.300 0.046 0.000 0.856 384 R HN 0.793 nan 8.270 nan 0.000 0.436 385 H N 0.853 119.949 119.070 0.043 0.000 2.352 385 H HA -0.058 4.499 4.556 0.001 0.000 0.299 385 H C 1.859 177.254 175.328 0.111 0.000 1.097 385 H CA 1.635 57.757 56.048 0.122 0.000 1.311 385 H CB -0.116 29.669 29.762 0.039 0.000 1.377 385 H HN 0.069 nan 8.280 nan 0.000 0.504 386 L N -0.143 121.065 121.223 -0.025 0.000 2.217 386 L HA -0.130 4.211 4.340 0.001 0.000 0.211 386 L C 2.482 179.312 176.870 -0.068 0.000 1.107 386 L CA 0.908 55.687 54.840 -0.101 0.000 0.783 386 L CB -0.387 41.610 42.059 -0.103 0.000 0.919 386 L HN 0.424 nan 8.230 nan 0.000 0.442 387 Q N -0.520 119.247 119.800 -0.056 0.000 2.084 387 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 387 Q C 2.103 178.033 176.000 -0.118 0.000 0.978 387 Q CA 2.047 57.810 55.803 -0.066 0.000 0.844 387 Q CB -0.107 28.601 28.738 -0.050 0.000 0.898 387 Q HN 0.455 nan 8.270 nan 0.000 0.426 388 T N -0.849 113.593 114.554 -0.186 0.000 2.939 388 T HA -0.040 4.310 4.350 0.001 0.000 0.254 388 T C 0.591 174.998 174.700 -0.489 0.000 1.041 388 T CA 0.870 62.736 62.100 -0.390 0.000 1.142 388 T CB 0.012 68.546 68.868 -0.556 0.000 0.874 388 T HN 0.255 nan 8.240 nan 0.000 0.452 389 Y N 0.351 120.572 120.300 -0.132 0.000 2.584 389 Y HA 0.429 4.979 4.550 0.001 0.000 0.254 389 Y C 2.112 178.113 175.900 0.167 0.000 1.177 389 Y CA -0.974 57.148 58.100 0.036 0.000 1.216 389 Y CB -0.105 38.301 38.460 -0.091 0.000 1.172 389 Y HN 0.192 nan 8.280 nan 0.000 0.529 390 G N 0.898 109.776 108.800 0.130 0.000 2.462 390 G HA2 -0.309 3.652 3.960 0.001 0.000 0.220 390 G HA3 -0.309 3.652 3.960 0.001 0.000 0.220 390 G C 1.536 176.533 174.900 0.162 0.000 1.121 390 G CA 1.208 46.409 45.100 0.169 0.000 0.758 390 G HN 0.624 nan 8.290 nan 0.000 0.559 391 E N 0.004 120.185 120.200 -0.032 0.000 2.267 391 E HA -0.209 4.142 4.350 0.001 0.000 0.197 391 E C 1.381 177.849 176.600 -0.220 0.000 0.998 391 E CA 0.978 57.274 56.400 -0.173 0.000 0.830 391 E CB -0.458 29.049 29.700 -0.322 0.000 0.751 391 E HN 0.525 nan 8.360 nan 0.000 0.491 392 H N -0.922 118.210 119.070 0.103 0.000 2.539 392 H HA 0.153 4.710 4.556 0.001 0.000 0.267 392 H C -0.392 174.693 175.328 -0.406 0.000 0.982 392 H CA 0.330 56.302 56.048 -0.127 0.000 1.146 392 H CB -0.119 29.541 29.762 -0.171 0.000 1.382 392 H HN 0.194 nan 8.280 nan 0.000 0.577 393 Y N 0.864 121.230 120.300 0.109 0.000 2.509 393 Y HA 0.299 4.849 4.550 0.001 0.000 0.341 393 Y C -1.810 174.127 175.900 0.062 0.000 1.038 393 Y CA -2.932 55.212 58.100 0.074 0.000 1.089 393 Y CB 1.459 39.947 38.460 0.046 0.000 1.241 393 Y HN -0.095 nan 8.280 nan 0.000 0.468 394 P HA 0.169 nan 4.420 nan 0.000 0.218 394 P C 0.108 177.593 177.300 0.308 0.000 1.793 394 P CA 0.327 63.559 63.100 0.221 0.000 0.941 394 P CB -0.163 31.687 31.700 0.251 0.000 1.919 395 L N -0.249 121.111 121.223 0.229 0.000 2.552 395 L HA -0.018 4.322 4.340 0.001 0.000 0.227 395 L C 1.735 178.749 176.870 0.241 0.000 1.146 395 L CA 0.554 55.534 54.840 0.234 0.000 0.858 395 L CB -0.415 41.719 42.059 0.124 0.000 0.969 395 L HN 0.027 nan 8.230 nan 0.000 0.451 396 D N -0.567 119.936 120.400 0.172 0.000 2.218 396 D HA -0.144 4.497 4.640 0.001 0.000 0.204 396 D C 1.374 177.610 176.300 -0.107 0.000 0.976 396 D CA 1.295 55.305 54.000 0.016 0.000 0.853 396 D CB 0.100 40.877 40.800 -0.037 0.000 0.939 396 D HN 0.343 nan 8.370 nan 0.000 0.481 397 H N -1.335 117.802 119.070 0.113 0.000 2.510 397 H HA 0.148 4.705 4.556 0.001 0.000 0.266 397 H C -0.464 174.784 175.328 -0.133 0.000 1.146 397 H CA -0.285 55.750 56.048 -0.022 0.000 0.993 397 H CB -0.100 29.608 29.762 -0.091 0.000 1.727 397 H HN 0.004 nan 8.280 nan 0.000 0.590 398 F N 1.244 121.252 119.950 0.096 0.000 2.404 398 F HA 0.122 4.650 4.527 0.001 0.000 0.339 398 F C 1.008 176.836 175.800 0.047 0.000 1.105 398 F CA -0.848 57.197 58.000 0.076 0.000 1.087 398 F CB 0.977 40.021 39.000 0.073 0.000 1.143 398 F HN 0.055 nan 8.300 nan 0.000 0.491 399 D N 3.161 123.671 120.400 0.183 0.000 2.400 399 D HA 0.141 4.781 4.640 0.001 0.000 0.238 399 D C 0.058 176.432 176.300 0.123 0.000 1.157 399 D CA 0.531 54.599 54.000 0.114 0.000 0.889 399 D CB 0.533 41.385 40.800 0.088 0.000 1.199 399 D HN 0.569 nan 8.370 nan 0.000 0.436 400 K N 0.000 120.446 120.400 0.077 0.000 2.780 400 K HA 0.000 4.321 4.320 0.001 0.000 0.191 400 K CA 0.000 56.322 56.287 0.059 0.000 0.838 400 K CB 0.000 32.533 32.500 0.055 0.000 1.064 400 K HN 0.000 nan 8.250 nan 0.000 0.543