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 3e0j_1_G DATA FIRST_RESID -3 DATA SEQUENCE HHHGMFSEQA AQRAHTLLSP PSANNATFAR VPVATYTNSS QPFRLXXXXX DATA SEQUENCE XXXXXXXYAT RLIQMRPFLE NRAQQHWGSG VGVKKLCELQ PEEKCCVVGT DATA SEQUENCE LFKAMXXXXX XXXXXXXXXX XXXXXXXSKY IHPDDELVLE DELQRIKLKG DATA SEQUENCE TIDVSKLVTG TVLAVFGSVR DDGKFLVEDY CFADLAPQKP APPLDTDRFV DATA SEQUENCE LLVSGLGLGG GGGESLLGTQ LLVDVVTGQL GDEGEQCSAA HVSRVILAGN DATA SEQUENCE LLSHXXXXXX XXXXXXXLTK KTQAASVEAV KMLDEILLQL SASVPVDVMP DATA SEQUENCE GEFDPTNYTL PQQPLHPCMF PLATAYSTLQ LVTNPYQATI DGVRFLGTSG DATA SEQUENCE QNVSDIFRYS SMEDHLEILE WTLRVRHISP TAPDTXXXXX XXKTDPFIFP DATA SEQUENCE ECPHVYFCGN TPSFGSKIIR GPEDQTVLLV TVPDFSATQT AcLVNLRSLA DATA SEQUENCE cQPISFSGFG AE 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 -3 H HA 0.000 nan 4.556 nan 0.000 0.296 -3 H C 0.000 175.049 175.328 -0.465 0.000 0.993 -3 H CA 0.000 55.891 56.048 -0.262 0.000 1.023 -3 H CB 0.000 29.663 29.762 -0.164 0.000 1.292 -2 H N 3.100 122.272 119.070 0.170 0.000 2.924 -2 H HA 0.326 4.882 4.556 -0.000 0.000 0.333 -2 H C -0.901 174.542 175.328 0.192 0.000 0.979 -2 H CA -0.291 55.842 56.048 0.142 0.000 1.326 -2 H CB 1.707 31.528 29.762 0.100 0.000 1.600 -2 H HN 0.748 nan 8.280 nan 0.000 0.520 -1 H N 1.008 120.160 119.070 0.137 0.000 2.893 -1 H HA 0.184 4.740 4.556 -0.000 0.000 0.290 -1 H C 0.510 175.870 175.328 0.054 0.000 1.252 -1 H CA -0.148 55.945 56.048 0.075 0.000 1.798 -1 H CB -0.178 29.608 29.762 0.039 0.000 2.189 -1 H HN 0.856 nan 8.280 nan 0.000 0.477 0 G N 3.903 113.030 108.800 0.545 0.000 2.137 0 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.237 0 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.237 0 G C 0.514 175.539 174.900 0.209 0.000 1.002 0 G CA 0.278 45.538 45.100 0.267 0.000 0.702 0 G HN 0.539 nan 8.290 nan 0.000 0.515 1 M N -0.905 118.831 119.600 0.228 0.000 2.219 1 M HA 0.308 4.788 4.480 -0.000 0.000 0.307 1 M C 1.681 178.203 176.300 0.370 0.000 1.116 1 M CA -0.240 55.215 55.300 0.258 0.000 1.181 1 M CB -0.203 32.517 32.600 0.201 0.000 1.410 1 M HN 0.094 nan 8.290 nan 0.000 0.454 2 F N 1.574 121.712 119.950 0.314 0.000 2.026 2 F HA -0.216 4.311 4.527 -0.000 0.000 0.296 2 F C 2.435 178.267 175.800 0.052 0.000 1.133 2 F CA 2.371 60.511 58.000 0.235 0.000 1.188 2 F CB -0.570 38.501 39.000 0.118 0.000 0.968 2 F HN 0.625 nan 8.300 nan 0.000 0.476 3 S N -0.069 115.625 115.700 -0.010 0.000 2.389 3 S HA -0.333 4.137 4.470 -0.000 0.000 0.231 3 S C 1.984 176.485 174.600 -0.164 0.000 1.052 3 S CA 1.705 59.821 58.200 -0.141 0.000 1.053 3 S CB -0.649 62.535 63.200 -0.027 0.000 0.886 3 S HN 0.560 nan 8.310 nan 0.000 0.456 4 E N 0.707 120.868 120.200 -0.065 0.000 2.001 4 E HA -0.195 4.154 4.350 -0.000 0.000 0.195 4 E C 2.180 178.720 176.600 -0.100 0.000 1.002 4 E CA 1.156 57.526 56.400 -0.052 0.000 0.819 4 E CB -0.120 29.589 29.700 0.015 0.000 0.769 4 E HN 0.355 nan 8.360 nan 0.000 0.454 5 Q N -0.139 119.613 119.800 -0.080 0.000 2.248 5 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 5 Q C 1.909 177.749 176.000 -0.266 0.000 0.984 5 Q CA 1.338 57.069 55.803 -0.120 0.000 0.875 5 Q CB -0.450 28.266 28.738 -0.036 0.000 0.910 5 Q HN 0.359 nan 8.270 nan 0.000 0.433 6 A N 0.980 123.534 122.820 -0.445 0.000 1.872 6 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 6 A C 2.242 179.650 177.584 -0.293 0.000 1.187 6 A CA 1.602 53.330 52.037 -0.514 0.000 0.614 6 A CB -0.579 17.940 19.000 -0.801 0.000 0.826 6 A HN 0.351 nan 8.150 nan 0.000 0.442 7 A N -1.093 121.598 122.820 -0.215 0.000 2.209 7 A HA -0.039 4.281 4.320 -0.000 0.000 0.212 7 A C 1.800 179.341 177.584 -0.072 0.000 1.158 7 A CA 1.013 52.974 52.037 -0.126 0.000 0.742 7 A CB -0.553 18.402 19.000 -0.075 0.000 0.790 7 A HN 0.633 nan 8.150 nan 0.000 0.472 8 Q N -0.303 119.442 119.800 -0.092 0.000 2.528 8 Q HA -0.181 4.159 4.340 -0.000 0.000 0.217 8 Q C 0.267 176.252 176.000 -0.024 0.000 0.988 8 Q CA 1.070 56.840 55.803 -0.054 0.000 0.900 8 Q CB -0.135 28.563 28.738 -0.068 0.000 0.947 8 Q HN 0.847 nan 8.270 nan 0.000 0.502 9 R N -2.642 117.848 120.500 -0.017 0.000 2.643 9 R HA 0.636 4.976 4.340 -0.000 0.000 0.269 9 R C -1.018 175.329 176.300 0.079 0.000 1.037 9 R CA -0.403 55.712 56.100 0.026 0.000 0.894 9 R CB 0.737 31.051 30.300 0.023 0.000 1.238 9 R HN -0.062 nan 8.270 nan 0.000 0.459 10 A N 2.114 125.002 122.820 0.114 0.000 2.653 10 A HA -0.044 4.276 4.320 -0.000 0.000 0.227 10 A C -0.233 177.503 177.584 0.254 0.000 1.066 10 A CA 0.623 52.771 52.037 0.186 0.000 0.771 10 A CB -0.373 18.686 19.000 0.099 0.000 0.980 10 A HN 0.761 nan 8.150 nan 0.000 0.507 11 H N -0.277 118.796 119.070 0.005 0.000 2.509 11 H HA 0.483 5.038 4.556 -0.000 0.000 0.359 11 H C 1.140 176.475 175.328 0.013 0.000 1.253 11 H CA 0.051 56.104 56.048 0.008 0.000 1.373 11 H CB 1.087 30.850 29.762 0.002 0.000 1.555 11 H HN 0.886 nan 8.280 nan 0.000 0.586 12 T N -2.686 111.951 114.554 0.139 0.000 3.312 12 T HA 0.021 4.370 4.350 -0.000 0.000 0.266 12 T C 1.195 175.930 174.700 0.058 0.000 0.849 12 T CA -0.323 61.824 62.100 0.079 0.000 0.897 12 T CB -0.320 68.582 68.868 0.057 0.000 1.251 12 T HN 0.350 nan 8.240 nan 0.000 0.564 13 L N 1.345 122.600 121.223 0.055 0.000 2.675 13 L HA 0.391 4.731 4.340 -0.000 0.000 0.238 13 L C 0.488 177.383 176.870 0.041 0.000 1.155 13 L CA 0.540 55.404 54.840 0.040 0.000 0.881 13 L CB -0.456 41.622 42.059 0.032 0.000 1.008 13 L HN 0.286 nan 8.230 nan 0.000 0.443 14 L N 0.158 121.411 121.223 0.050 0.000 2.719 14 L HA 0.301 4.641 4.340 -0.000 0.000 0.236 14 L C 0.069 176.956 176.870 0.029 0.000 1.221 14 L CA -0.054 54.810 54.840 0.040 0.000 1.048 14 L CB 0.495 42.584 42.059 0.049 0.000 1.364 14 L HN 0.154 nan 8.230 nan 0.000 0.447 15 S N 0.444 116.158 115.700 0.024 0.000 2.611 15 S HA 0.578 5.048 4.470 -0.000 0.000 0.270 15 S C -2.889 171.719 174.600 0.013 0.000 1.131 15 S CA -0.893 57.317 58.200 0.017 0.000 0.826 15 S CB 1.274 64.484 63.200 0.018 0.000 1.095 15 S HN 0.075 nan 8.310 nan 0.000 0.461 16 P HA 0.395 nan 4.420 nan 0.000 0.271 16 P C -2.580 174.723 177.300 0.006 0.000 1.218 16 P CA -0.652 62.452 63.100 0.007 0.000 0.780 16 P CB -0.481 31.222 31.700 0.005 0.000 0.901 17 P HA -0.015 nan 4.420 nan 0.000 0.261 17 P C -0.295 177.005 177.300 -0.001 0.000 1.165 17 P CA 0.486 63.587 63.100 0.001 0.000 0.759 17 P CB 0.177 31.877 31.700 -0.000 0.000 0.772 18 S N 1.522 117.221 115.700 -0.003 0.000 2.664 18 S HA 0.728 5.198 4.470 -0.000 0.000 0.304 18 S C 0.890 175.485 174.600 -0.009 0.000 1.099 18 S CA -0.192 58.006 58.200 -0.005 0.000 1.003 18 S CB 2.015 65.212 63.200 -0.004 0.000 1.092 18 S HN 0.365 nan 8.310 nan 0.000 0.525 19 A N 1.090 123.904 122.820 -0.011 0.000 1.861 19 A HA 0.174 4.494 4.320 -0.000 0.000 0.212 19 A C 1.118 178.690 177.584 -0.021 0.000 1.199 19 A CA 0.256 52.284 52.037 -0.015 0.000 0.613 19 A CB -1.058 17.934 19.000 -0.013 0.000 0.846 19 A HN 0.894 nan 8.150 nan 0.000 0.446 20 N N 1.388 120.075 118.700 -0.022 0.000 2.301 20 N HA -0.041 4.699 4.740 -0.000 0.000 0.267 20 N C -1.157 174.328 175.510 -0.041 0.000 1.304 20 N CA 0.508 53.540 53.050 -0.031 0.000 0.851 20 N CB -0.101 38.371 38.487 -0.025 0.000 1.070 20 N HN 0.501 nan 8.380 nan 0.000 0.483 21 N N 1.044 119.708 118.700 -0.060 0.000 2.371 21 N HA 0.308 5.048 4.740 -0.000 0.000 0.291 21 N C -1.177 174.251 175.510 -0.137 0.000 1.053 21 N CA -0.631 52.371 53.050 -0.079 0.000 0.870 21 N CB 1.564 40.014 38.487 -0.063 0.000 1.503 21 N HN 0.472 nan 8.380 nan 0.000 0.485 22 A N 1.774 124.479 122.820 -0.192 0.000 2.409 22 A HA 0.490 4.810 4.320 -0.000 0.000 0.262 22 A C -0.369 176.932 177.584 -0.473 0.000 1.113 22 A CA 0.202 52.006 52.037 -0.389 0.000 0.790 22 A CB 0.120 18.817 19.000 -0.506 0.000 1.046 22 A HN 0.525 nan 8.150 nan 0.000 0.496 23 T N 2.300 116.544 114.554 -0.518 0.000 2.949 23 T HA 0.495 4.845 4.350 -0.000 0.000 0.300 23 T C -0.689 173.774 174.700 -0.395 0.000 0.988 23 T CA -0.134 61.755 62.100 -0.352 0.000 0.993 23 T CB 0.353 69.122 68.868 -0.165 0.000 0.984 23 T HN 0.347 nan 8.240 nan 0.000 0.442 24 F N 1.907 121.844 119.950 -0.022 0.000 2.396 24 F HA 0.590 5.117 4.527 -0.000 0.000 0.343 24 F C 0.996 176.770 175.800 -0.043 0.000 1.104 24 F CA -0.972 57.009 58.000 -0.032 0.000 1.161 24 F CB 0.871 39.849 39.000 -0.036 0.000 1.146 24 F HN 0.651 nan 8.300 nan 0.000 0.522 25 A N 4.586 127.500 122.820 0.156 0.000 2.309 25 A HA 0.409 4.729 4.320 -0.000 0.000 0.290 25 A C 0.346 177.945 177.584 0.025 0.000 1.206 25 A CA -0.651 51.423 52.037 0.061 0.000 0.850 25 A CB 0.211 19.234 19.000 0.039 0.000 1.118 25 A HN 0.916 nan 8.150 nan 0.000 0.523 26 R N 2.243 122.743 120.500 0.000 0.000 2.861 26 R HA 0.272 4.612 4.340 -0.000 0.000 0.268 26 R C 0.351 176.611 176.300 -0.067 0.000 1.027 26 R CA 0.176 56.249 56.100 -0.046 0.000 1.163 26 R CB 0.305 30.586 30.300 -0.033 0.000 1.060 26 R HN 0.872 nan 8.270 nan 0.000 0.483 27 V N 0.787 120.645 119.914 -0.094 0.000 2.963 27 V HA 0.297 4.417 4.120 -0.000 0.000 0.306 27 V C -2.135 173.949 176.094 -0.017 0.000 1.077 27 V CA -1.603 60.660 62.300 -0.062 0.000 1.124 27 V CB 0.483 32.292 31.823 -0.023 0.000 0.987 27 V HN 0.781 nan 8.190 nan 0.000 0.487 28 P HA 0.193 nan 4.420 nan 0.000 0.263 28 P C 0.108 177.419 177.300 0.018 0.000 1.276 28 P CA 0.030 63.137 63.100 0.012 0.000 0.986 28 P CB 0.279 31.991 31.700 0.021 0.000 1.105 29 V N 2.472 122.389 119.914 0.005 0.000 3.273 29 V HA 0.095 4.215 4.120 -0.000 0.000 0.379 29 V C 1.629 177.732 176.094 0.016 0.000 1.256 29 V CA 0.803 63.103 62.300 0.001 0.000 1.455 29 V CB -1.173 30.628 31.823 -0.037 0.000 1.247 29 V HN 0.506 nan 8.190 nan 0.000 0.469 30 A N 0.088 122.929 122.820 0.036 0.000 2.220 30 A HA 0.147 4.467 4.320 -0.000 0.000 0.211 30 A C 1.346 178.977 177.584 0.080 0.000 1.176 30 A CA 0.370 52.437 52.037 0.050 0.000 0.834 30 A CB 0.093 19.116 19.000 0.038 0.000 0.868 30 A HN 0.496 nan 8.150 nan 0.000 0.488 31 T N 0.304 114.912 114.554 0.090 0.000 3.281 31 T HA 0.477 4.827 4.350 -0.000 0.000 0.359 31 T C -0.951 173.845 174.700 0.160 0.000 1.459 31 T CA -0.134 62.026 62.100 0.100 0.000 1.114 31 T CB -0.708 68.201 68.868 0.069 0.000 1.162 31 T HN 0.330 nan 8.240 nan 0.000 0.665 32 Y N 0.960 121.271 120.300 0.018 0.000 2.553 32 Y HA 0.591 5.141 4.550 -0.000 0.000 0.347 32 Y C -1.040 174.880 175.900 0.033 0.000 1.019 32 Y CA -0.710 57.402 58.100 0.020 0.000 1.032 32 Y CB 2.106 40.577 38.460 0.017 0.000 1.284 32 Y HN 0.307 nan 8.280 nan 0.000 0.466 33 T N 5.091 119.253 114.554 -0.655 0.000 3.355 33 T HA 0.142 4.492 4.350 -0.000 0.000 0.324 33 T C -1.379 172.913 174.700 -0.681 0.000 0.932 33 T CA -0.866 60.970 62.100 -0.440 0.000 1.032 33 T CB 0.313 69.071 68.868 -0.183 0.000 1.027 33 T HN 0.666 nan 8.240 nan 0.000 0.456 34 N N 2.077 120.473 118.700 -0.507 0.000 2.518 34 N HA 0.142 4.882 4.740 -0.000 0.000 0.266 34 N C 0.383 175.864 175.510 -0.049 0.000 1.196 34 N CA 0.010 52.956 53.050 -0.173 0.000 0.947 34 N CB 0.940 39.554 38.487 0.211 0.000 1.098 34 N HN 0.674 nan 8.380 nan 0.000 0.450 35 S N -0.005 115.698 115.700 0.007 0.000 2.941 35 S HA 0.072 4.542 4.470 -0.000 0.000 0.248 35 S C 0.235 174.919 174.600 0.140 0.000 0.962 35 S CA -0.517 57.709 58.200 0.043 0.000 1.092 35 S CB -0.913 62.287 63.200 -0.001 0.000 1.113 35 S HN 0.454 nan 8.310 nan 0.000 0.512 36 S N 0.218 116.048 115.700 0.216 0.000 2.614 36 S HA 0.134 4.604 4.470 -0.000 0.000 0.230 36 S C 1.318 176.136 174.600 0.363 0.000 0.952 36 S CA -0.301 58.128 58.200 0.382 0.000 0.949 36 S CB -0.096 63.300 63.200 0.326 0.000 0.786 36 S HN 0.410 nan 8.310 nan 0.000 0.478 37 Q N 2.970 122.888 119.800 0.196 0.000 2.029 37 Q HA -0.070 4.270 4.340 -0.000 0.000 0.209 37 Q C -0.954 175.104 176.000 0.097 0.000 0.999 37 Q CA 1.947 57.824 55.803 0.123 0.000 0.857 37 Q CB -2.199 26.578 28.738 0.064 0.000 0.926 37 Q HN 0.486 nan 8.270 nan 0.000 0.415 38 P HA -0.142 nan 4.420 nan 0.000 0.261 38 P C -0.403 176.685 177.300 -0.353 0.000 1.277 38 P CA 1.159 64.147 63.100 -0.187 0.000 0.748 38 P CB -0.328 31.200 31.700 -0.287 0.000 1.062 39 F N -1.298 118.689 119.950 0.063 0.000 2.834 39 F HA 0.259 4.786 4.527 -0.000 0.000 0.332 39 F C 1.400 177.244 175.800 0.073 0.000 1.056 39 F CA -0.423 57.634 58.000 0.096 0.000 1.178 39 F CB 0.371 39.432 39.000 0.102 0.000 1.037 39 F HN -0.299 nan 8.300 nan 0.000 0.580 40 R N 1.913 122.537 120.500 0.207 0.000 2.340 40 R HA 0.628 4.968 4.340 -0.000 0.000 0.300 40 R C -0.709 175.634 176.300 0.072 0.000 1.069 40 R CA 0.053 56.228 56.100 0.125 0.000 0.984 40 R CB 0.885 31.242 30.300 0.095 0.000 1.003 40 R HN 0.120 nan 8.270 nan 0.000 0.459 55 A N 0.548 123.486 122.820 0.198 0.000 1.881 55 A HA -0.333 3.987 4.320 -0.000 0.000 0.219 55 A C 2.233 179.863 177.584 0.078 0.000 1.215 55 A CA 3.504 55.613 52.037 0.120 0.000 0.648 55 A CB -1.272 17.778 19.000 0.083 0.000 0.832 55 A HN 0.484 nan 8.150 nan 0.000 0.455 56 T N -0.851 113.730 114.554 0.044 0.000 2.714 56 T HA -0.296 4.054 4.350 -0.000 0.000 0.268 56 T C 1.867 176.587 174.700 0.033 0.000 1.036 56 T CA 1.714 63.824 62.100 0.017 0.000 1.148 56 T CB -0.460 68.399 68.868 -0.015 0.000 0.856 56 T HN 0.591 nan 8.240 nan 0.000 0.462 57 R N 0.698 121.235 120.500 0.061 0.000 2.082 57 R HA 0.109 4.449 4.340 -0.000 0.000 0.228 57 R C 2.670 179.029 176.300 0.100 0.000 1.140 57 R CA 1.363 57.523 56.100 0.101 0.000 0.920 57 R CB -0.892 29.491 30.300 0.139 0.000 0.828 57 R HN 0.298 nan 8.270 nan 0.000 0.430 58 L N 0.936 122.226 121.223 0.112 0.000 2.123 58 L HA -0.291 4.049 4.340 -0.000 0.000 0.217 58 L C 2.388 179.285 176.870 0.045 0.000 1.081 58 L CA 1.480 56.374 54.840 0.091 0.000 0.772 58 L CB -0.391 41.726 42.059 0.097 0.000 0.890 58 L HN 0.279 nan 8.230 nan 0.000 0.437 59 I N -1.350 119.238 120.570 0.029 0.000 2.202 59 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 59 I C 2.520 178.605 176.117 -0.052 0.000 1.091 59 I CA 1.322 62.618 61.300 -0.008 0.000 1.368 59 I CB -0.373 37.624 38.000 -0.006 0.000 1.058 59 I HN 0.326 nan 8.210 nan 0.000 0.410 60 Q N 0.000 119.776 119.800 -0.040 0.000 2.083 60 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 60 Q C 2.371 178.251 176.000 -0.201 0.000 0.969 60 Q CA 1.188 56.929 55.803 -0.104 0.000 0.838 60 Q CB -0.052 28.684 28.738 -0.002 0.000 0.900 60 Q HN 0.451 nan 8.270 nan 0.000 0.436 61 M N 0.256 119.855 119.600 -0.001 0.000 2.175 61 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 61 M C 2.124 178.432 176.300 0.012 0.000 1.063 61 M CA 1.223 56.594 55.300 0.120 0.000 1.119 61 M CB -0.818 31.899 32.600 0.196 0.000 1.377 61 M HN 0.174 nan 8.290 nan 0.000 0.415 62 R N 0.964 121.447 120.500 -0.028 0.000 2.179 62 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 62 R C -0.890 175.376 176.300 -0.058 0.000 1.119 62 R CA 2.627 58.715 56.100 -0.022 0.000 0.915 62 R CB -1.686 28.596 30.300 -0.030 0.000 0.870 62 R HN 0.139 nan 8.270 nan 0.000 0.432 63 P HA -0.204 nan 4.420 nan 0.000 0.218 63 P C 0.754 178.014 177.300 -0.066 0.000 1.154 63 P CA 1.851 64.834 63.100 -0.194 0.000 0.872 63 P CB -0.170 31.297 31.700 -0.390 0.000 0.790 64 F N -1.704 118.258 119.950 0.020 0.000 2.022 64 F HA -0.144 4.383 4.527 -0.000 0.000 0.293 64 F C 2.168 177.972 175.800 0.006 0.000 1.142 64 F CA 0.208 58.213 58.000 0.009 0.000 1.177 64 F CB -1.248 37.761 39.000 0.016 0.000 0.982 64 F HN -0.244 nan 8.300 nan 0.000 0.473 65 L N 0.544 121.906 121.223 0.232 0.000 2.137 65 L HA -0.247 4.092 4.340 -0.000 0.000 0.213 65 L C 2.131 179.059 176.870 0.096 0.000 1.085 65 L CA 1.678 56.598 54.840 0.133 0.000 0.760 65 L CB -0.941 41.193 42.059 0.124 0.000 0.893 65 L HN 0.195 nan 8.230 nan 0.000 0.434 66 E N -0.966 119.290 120.200 0.094 0.000 2.028 66 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 66 E C 1.902 178.546 176.600 0.073 0.000 0.988 66 E CA 0.865 57.317 56.400 0.087 0.000 0.799 66 E CB -0.238 29.501 29.700 0.065 0.000 0.755 66 E HN 0.451 nan 8.360 nan 0.000 0.447 67 N N 0.609 119.350 118.700 0.069 0.000 2.443 67 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 67 N C 1.629 177.145 175.510 0.011 0.000 1.037 67 N CA 0.578 53.658 53.050 0.051 0.000 0.896 67 N CB 0.180 38.709 38.487 0.071 0.000 0.959 67 N HN 0.028 nan 8.380 nan 0.000 0.442 68 R N 0.491 120.990 120.500 -0.002 0.000 2.066 68 R HA 0.130 4.470 4.340 -0.000 0.000 0.224 68 R C 2.015 178.220 176.300 -0.158 0.000 1.122 68 R CA 0.879 56.924 56.100 -0.091 0.000 0.974 68 R CB -0.958 29.293 30.300 -0.081 0.000 0.871 68 R HN 0.172 nan 8.270 nan 0.000 0.435 69 A N 1.091 123.841 122.820 -0.118 0.000 1.930 69 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 69 A C 2.103 179.678 177.584 -0.014 0.000 1.175 69 A CA 1.142 53.050 52.037 -0.215 0.000 0.627 69 A CB -0.358 18.725 19.000 0.139 0.000 0.815 69 A HN 0.345 nan 8.150 nan 0.000 0.443 70 Q N -0.479 119.356 119.800 0.058 0.000 2.124 70 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 70 Q C 2.322 178.347 176.000 0.042 0.000 0.977 70 Q CA 1.813 57.669 55.803 0.088 0.000 0.850 70 Q CB -0.182 28.599 28.738 0.071 0.000 0.901 70 Q HN 0.986 nan 8.270 nan 0.000 0.429 71 Q N -1.248 118.540 119.800 -0.021 0.000 2.250 71 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 71 Q C 1.468 177.435 176.000 -0.055 0.000 0.941 71 Q CA 0.960 56.740 55.803 -0.038 0.000 0.872 71 Q CB -0.299 28.397 28.738 -0.071 0.000 0.965 71 Q HN 0.506 nan 8.270 nan 0.000 0.480 72 H N -1.219 117.665 119.070 -0.311 0.000 2.457 72 H HA -0.057 4.499 4.556 -0.000 0.000 0.294 72 H C 0.282 175.308 175.328 -0.504 0.000 1.064 72 H CA 0.726 56.448 56.048 -0.544 0.000 1.330 72 H CB 0.446 29.615 29.762 -0.988 0.000 1.395 72 H HN 0.383 nan 8.280 nan 0.000 0.541 73 W N 0.324 121.627 121.300 0.005 0.000 2.499 73 W HA 0.357 5.017 4.660 -0.000 0.000 0.362 73 W C 0.578 177.064 176.519 -0.056 0.000 0.945 73 W CA 0.528 57.806 57.345 -0.112 0.000 1.721 73 W CB -0.073 29.248 29.460 -0.233 0.000 1.156 73 W HN 0.285 nan 8.180 nan 0.000 0.547 74 G N 1.494 110.385 108.800 0.152 0.000 2.846 74 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.660 74 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.660 74 G C 0.988 175.955 174.900 0.111 0.000 1.464 74 G CA 0.136 45.298 45.100 0.104 0.000 0.891 74 G HN 0.251 nan 8.290 nan 0.000 0.552 75 S N -0.628 115.119 115.700 0.078 0.000 2.409 75 S HA -0.109 4.361 4.470 -0.000 0.000 0.237 75 S C 2.229 176.883 174.600 0.090 0.000 1.060 75 S CA 2.050 60.294 58.200 0.073 0.000 1.052 75 S CB -0.819 62.413 63.200 0.053 0.000 0.871 75 S HN 2.479 nan 8.310 nan 0.000 0.465 76 G N 2.251 111.108 108.800 0.095 0.000 2.529 76 G HA2 0.274 4.234 3.960 -0.000 0.000 0.285 76 G HA3 0.274 4.234 3.960 -0.000 0.000 0.285 76 G C -0.065 174.918 174.900 0.139 0.000 0.632 76 G CA -0.291 44.870 45.100 0.103 0.000 2.116 76 G HN 0.447 nan 8.290 nan 0.000 0.538 77 V N 2.231 122.217 119.914 0.121 0.000 2.442 77 V HA 0.092 4.212 4.120 -0.000 0.000 0.272 77 V C 1.764 177.940 176.094 0.138 0.000 0.989 77 V CA 1.115 63.495 62.300 0.133 0.000 1.123 77 V CB 0.512 32.392 31.823 0.095 0.000 1.008 77 V HN 0.591 nan 8.190 nan 0.000 0.469 78 G N 4.215 113.129 108.800 0.190 0.000 2.920 78 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.208 78 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.208 78 G C 0.674 175.652 174.900 0.131 0.000 1.159 78 G CA -0.179 45.021 45.100 0.167 0.000 0.784 78 G HN 0.566 nan 8.290 nan 0.000 0.535 79 V N 1.869 121.861 119.914 0.130 0.000 2.726 79 V HA 0.011 4.131 4.120 -0.000 0.000 0.251 79 V C 0.111 176.248 176.094 0.070 0.000 0.966 79 V CA 0.893 63.253 62.300 0.100 0.000 1.185 79 V CB -0.611 31.264 31.823 0.086 0.000 1.006 79 V HN 0.112 nan 8.190 nan 0.000 0.473 80 K N 4.598 125.037 120.400 0.065 0.000 2.541 80 K HA 0.419 4.739 4.320 -0.000 0.000 0.250 80 K C -0.073 176.551 176.600 0.041 0.000 0.950 80 K CA -0.758 55.558 56.287 0.048 0.000 0.805 80 K CB 2.303 34.832 32.500 0.048 0.000 1.166 80 K HN 0.485 nan 8.250 nan 0.000 0.430 81 K N 1.248 121.666 120.400 0.030 0.000 2.188 81 K HA 0.037 4.357 4.320 -0.000 0.000 0.246 81 K C 1.397 178.008 176.600 0.019 0.000 1.026 81 K CA -0.378 55.920 56.287 0.020 0.000 0.871 81 K CB 0.396 32.906 32.500 0.015 0.000 1.042 81 K HN 0.220 nan 8.250 nan 0.000 0.509 82 L N 1.495 122.722 121.223 0.006 0.000 2.353 82 L HA -0.164 4.176 4.340 -0.000 0.000 0.220 82 L C 2.181 179.062 176.870 0.018 0.000 1.133 82 L CA 1.488 56.333 54.840 0.008 0.000 0.798 82 L CB -0.614 41.437 42.059 -0.013 0.000 0.922 82 L HN 0.835 nan 8.230 nan 0.000 0.445 83 C N -2.259 117.048 119.300 0.012 0.000 2.538 83 C HA 0.050 4.510 4.460 -0.000 0.000 0.281 83 C C 1.935 176.932 174.990 0.012 0.000 1.320 83 C CA 0.075 59.098 59.018 0.009 0.000 1.714 83 C CB -1.224 26.518 27.740 0.004 0.000 2.095 83 C HN 0.530 nan 8.230 nan 0.000 0.497 84 E N 2.929 123.138 120.200 0.015 0.000 2.461 84 E HA 0.086 4.436 4.350 -0.000 0.000 0.196 84 E C 0.667 177.277 176.600 0.016 0.000 1.129 84 E CA -0.151 56.257 56.400 0.014 0.000 0.902 84 E CB -0.424 29.285 29.700 0.016 0.000 0.963 84 E HN 0.803 nan 8.360 nan 0.000 0.503 85 L N -0.453 120.784 121.223 0.024 0.000 2.361 85 L HA 0.204 4.544 4.340 -0.000 0.000 0.278 85 L C -0.344 176.524 176.870 -0.002 0.000 1.113 85 L CA -0.594 54.261 54.840 0.026 0.000 0.849 85 L CB 0.643 42.741 42.059 0.065 0.000 1.155 85 L HN -0.128 nan 8.230 nan 0.000 0.452 86 Q N 4.423 124.210 119.800 -0.022 0.000 2.368 86 Q HA 0.446 4.786 4.340 -0.000 0.000 0.256 86 Q C -2.355 173.607 176.000 -0.063 0.000 0.980 86 Q CA -2.046 53.735 55.803 -0.036 0.000 0.887 86 Q CB 1.134 29.852 28.738 -0.034 0.000 1.221 86 Q HN 0.537 nan 8.270 nan 0.000 0.458 87 P HA -0.181 nan 4.420 nan 0.000 0.262 87 P C -0.090 177.146 177.300 -0.107 0.000 1.151 87 P CA 0.909 63.958 63.100 -0.086 0.000 0.757 87 P CB 0.404 32.065 31.700 -0.064 0.000 0.754 88 E N -1.051 119.058 120.200 -0.152 0.000 3.181 88 E HA -0.246 4.104 4.350 -0.000 0.000 0.293 88 E C 0.082 176.585 176.600 -0.162 0.000 0.936 88 E CA 0.908 57.212 56.400 -0.159 0.000 0.975 88 E CB -1.741 27.893 29.700 -0.110 0.000 1.496 88 E HN 0.695 nan 8.360 nan 0.000 0.429 89 E N 1.230 121.324 120.200 -0.176 0.000 2.197 89 E HA 0.190 4.540 4.350 -0.000 0.000 0.281 89 E C -0.353 176.110 176.600 -0.227 0.000 0.995 89 E CA -0.725 55.584 56.400 -0.153 0.000 0.808 89 E CB 0.687 30.328 29.700 -0.099 0.000 1.093 89 E HN -0.211 nan 8.360 nan 0.000 0.394 90 K N 4.467 124.739 120.400 -0.212 0.000 2.292 90 K HA 0.202 4.522 4.320 -0.000 0.000 0.290 90 K C -0.297 176.139 176.600 -0.273 0.000 1.083 90 K CA -0.164 55.924 56.287 -0.332 0.000 0.918 90 K CB -0.256 32.118 32.500 -0.209 0.000 1.089 90 K HN 0.584 nan 8.250 nan 0.000 0.473 91 C N -0.403 118.679 119.300 -0.363 0.000 3.311 91 C HA 0.653 5.113 4.460 -0.000 0.000 0.366 91 C C -0.423 174.504 174.990 -0.104 0.000 1.694 91 C CA -1.172 57.771 59.018 -0.126 0.000 1.244 91 C CB 1.619 29.354 27.740 -0.009 0.000 2.038 91 C HN 0.750 nan 8.230 nan 0.000 0.436 92 C N 1.721 121.080 119.300 0.098 0.000 2.381 92 C HA 0.787 5.247 4.460 -0.000 0.000 0.328 92 C C -0.551 174.505 174.990 0.110 0.000 1.190 92 C CA -0.015 59.105 59.018 0.170 0.000 1.369 92 C CB -0.271 27.677 27.740 0.348 0.000 2.029 92 C HN 0.792 nan 8.230 nan 0.000 0.448 93 V N 6.493 126.412 119.914 0.007 0.000 2.472 93 V HA 0.526 4.646 4.120 -0.000 0.000 0.290 93 V C -0.024 176.061 176.094 -0.016 0.000 1.037 93 V CA -0.488 61.781 62.300 -0.051 0.000 0.908 93 V CB 1.645 33.333 31.823 -0.226 0.000 0.985 93 V HN 0.658 nan 8.190 nan 0.000 0.454 94 V N 4.085 124.009 119.914 0.017 0.000 2.357 94 V HA 0.906 5.026 4.120 -0.000 0.000 0.284 94 V C 0.583 176.692 176.094 0.026 0.000 1.018 94 V CA 0.517 62.840 62.300 0.040 0.000 0.841 94 V CB 1.020 32.881 31.823 0.064 0.000 0.991 94 V HN 1.123 nan 8.190 nan 0.000 0.437 95 G N 3.478 112.296 108.800 0.029 0.000 2.731 95 G HA2 0.585 4.545 3.960 -0.000 0.000 0.309 95 G HA3 0.585 4.545 3.960 -0.000 0.000 0.309 95 G C -0.873 174.080 174.900 0.088 0.000 1.273 95 G CA -0.389 44.740 45.100 0.049 0.000 0.798 95 G HN 0.451 nan 8.290 nan 0.000 0.509 96 T N 0.483 115.117 114.554 0.133 0.000 2.895 96 T HA 0.644 4.994 4.350 -0.000 0.000 0.283 96 T C -0.223 174.610 174.700 0.222 0.000 1.014 96 T CA -0.185 62.021 62.100 0.176 0.000 1.037 96 T CB 1.451 70.478 68.868 0.265 0.000 1.006 96 T HN 0.335 nan 8.240 nan 0.000 0.468 97 L N 2.247 123.550 121.223 0.134 0.000 2.331 97 L HA 0.673 5.013 4.340 -0.000 0.000 0.275 97 L C -1.210 175.726 176.870 0.110 0.000 1.022 97 L CA -0.770 54.169 54.840 0.166 0.000 0.812 97 L CB 1.049 43.162 42.059 0.090 0.000 1.257 97 L HN 0.539 nan 8.230 nan 0.000 0.435 98 F N 1.679 121.598 119.950 -0.052 0.000 2.556 98 F HA 0.515 5.042 4.527 -0.000 0.000 0.314 98 F C -0.076 175.705 175.800 -0.033 0.000 1.106 98 F CA -0.861 57.103 58.000 -0.060 0.000 0.911 98 F CB 1.937 40.887 39.000 -0.083 0.000 1.190 98 F HN 0.220 nan 8.300 nan 0.000 0.448 99 K N 1.856 122.323 120.400 0.111 0.000 2.267 99 K HA 0.968 5.288 4.320 -0.000 0.000 0.246 99 K C -1.430 175.187 176.600 0.029 0.000 0.954 99 K CA -0.645 55.680 56.287 0.062 0.000 0.824 99 K CB 2.208 34.735 32.500 0.045 0.000 1.167 99 K HN 0.851 nan 8.250 nan 0.000 0.431 100 A N 2.718 125.522 122.820 -0.027 0.000 2.567 100 A HA 0.384 4.704 4.320 -0.000 0.000 0.291 100 A C -1.621 175.814 177.584 -0.248 0.000 1.048 100 A CA -0.850 51.112 52.037 -0.125 0.000 0.661 100 A CB 1.423 20.381 19.000 -0.069 0.000 1.288 100 A HN 0.685 nan 8.150 nan 0.000 0.424 125 K N 0.471 120.769 120.400 -0.170 0.000 2.371 125 K HA 0.509 4.829 4.320 -0.000 0.000 0.251 125 K C -1.532 174.918 176.600 -0.250 0.000 0.934 125 K CA -0.486 55.643 56.287 -0.264 0.000 0.798 125 K CB 1.523 33.882 32.500 -0.236 0.000 1.204 125 K HN 0.425 nan 8.250 nan 0.000 0.427 126 Y N 1.862 122.172 120.300 0.017 0.000 2.625 126 Y HA 0.207 4.757 4.550 -0.000 0.000 0.285 126 Y C 0.549 176.183 175.900 -0.443 0.000 1.168 126 Y CA -1.072 56.921 58.100 -0.178 0.000 1.250 126 Y CB -0.725 37.654 38.460 -0.136 0.000 1.130 126 Y HN 0.428 nan 8.280 nan 0.000 0.526 127 I N -1.551 118.906 120.570 -0.188 0.000 2.634 127 I HA 0.249 4.419 4.170 -0.000 0.000 0.284 127 I C -0.241 175.698 176.117 -0.297 0.000 1.124 127 I CA -0.430 60.746 61.300 -0.207 0.000 1.417 127 I CB 0.619 38.555 38.000 -0.108 0.000 1.396 127 I HN 0.058 nan 8.210 nan 0.000 0.571 128 H N 4.733 123.792 119.070 -0.018 0.000 2.472 128 H HA 0.332 4.888 4.556 -0.000 0.000 0.335 128 H C -1.761 173.561 175.328 -0.010 0.000 1.136 128 H CA -1.677 54.365 56.048 -0.010 0.000 1.264 128 H CB 0.589 30.340 29.762 -0.019 0.000 1.486 128 H HN 0.419 nan 8.280 nan 0.000 0.517 129 P HA -0.203 nan 4.420 nan 0.000 0.219 129 P C -0.435 176.897 177.300 0.053 0.000 1.158 129 P CA 1.659 64.792 63.100 0.055 0.000 0.895 129 P CB 0.237 31.966 31.700 0.048 0.000 0.792 130 D N -0.889 119.550 120.400 0.066 0.000 2.421 130 D HA 0.218 4.858 4.640 -0.000 0.000 0.254 130 D C -0.593 175.731 176.300 0.039 0.000 1.238 130 D CA -0.316 53.710 54.000 0.043 0.000 0.919 130 D CB 0.593 41.409 40.800 0.025 0.000 1.152 130 D HN -0.095 nan 8.370 nan 0.000 0.552 131 D N 0.974 121.402 120.400 0.047 0.000 2.529 131 D HA 0.506 5.146 4.640 -0.000 0.000 0.273 131 D C -0.138 176.168 176.300 0.010 0.000 1.197 131 D CA -0.279 53.737 54.000 0.025 0.000 1.070 131 D CB 1.339 42.182 40.800 0.072 0.000 1.134 131 D HN 0.259 nan 8.370 nan 0.000 0.590 132 E N -0.120 120.082 120.200 0.003 0.000 2.372 132 E HA 0.373 4.723 4.350 -0.000 0.000 0.279 132 E C -1.046 175.568 176.600 0.024 0.000 0.946 132 E CA -0.534 55.872 56.400 0.011 0.000 0.769 132 E CB 2.218 31.916 29.700 -0.002 0.000 1.230 132 E HN 0.172 nan 8.360 nan 0.000 0.442 133 L N 2.425 123.667 121.223 0.031 0.000 2.280 133 L HA 0.497 4.837 4.340 -0.000 0.000 0.287 133 L C -0.293 176.600 176.870 0.039 0.000 1.023 133 L CA -0.980 53.887 54.840 0.044 0.000 0.819 133 L CB 1.441 43.519 42.059 0.031 0.000 1.212 133 L HN 0.228 nan 8.230 nan 0.000 0.420 134 V N 5.568 125.516 119.914 0.057 0.000 2.472 134 V HA 0.485 4.605 4.120 -0.000 0.000 0.290 134 V C -0.711 175.398 176.094 0.026 0.000 1.037 134 V CA -0.658 61.646 62.300 0.007 0.000 0.908 134 V CB 1.874 33.664 31.823 -0.056 0.000 0.985 134 V HN 0.590 nan 8.190 nan 0.000 0.454 135 L N 6.274 127.481 121.223 -0.028 0.000 2.262 135 L HA 0.587 4.927 4.340 -0.000 0.000 0.288 135 L C -0.026 176.805 176.870 -0.066 0.000 1.035 135 L CA 0.302 55.128 54.840 -0.024 0.000 0.820 135 L CB 0.986 42.990 42.059 -0.092 0.000 1.204 135 L HN 0.759 nan 8.230 nan 0.000 0.424 136 E N 3.070 123.246 120.200 -0.039 0.000 2.227 136 E HA 0.183 4.533 4.350 -0.000 0.000 0.282 136 E C -1.192 175.404 176.600 -0.005 0.000 1.015 136 E CA -0.332 56.013 56.400 -0.092 0.000 0.823 136 E CB 1.709 31.288 29.700 -0.202 0.000 1.081 136 E HN 0.652 nan 8.360 nan 0.000 0.396 137 D N 1.529 121.914 120.400 -0.026 0.000 2.384 137 D HA 0.085 4.725 4.640 -0.000 0.000 0.250 137 D C 0.578 176.883 176.300 0.008 0.000 1.029 137 D CA -0.312 53.688 54.000 -0.000 0.000 0.990 137 D CB 1.114 41.906 40.800 -0.013 0.000 1.175 137 D HN 0.170 nan 8.370 nan 0.000 0.532 138 E N 0.002 120.214 120.200 0.021 0.000 2.118 138 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 138 E C 1.481 178.086 176.600 0.008 0.000 0.992 138 E CA 1.396 57.811 56.400 0.025 0.000 0.804 138 E CB -0.185 29.530 29.700 0.024 0.000 0.741 138 E HN 0.433 nan 8.360 nan 0.000 0.458 139 L N 0.098 121.320 121.223 -0.001 0.000 2.042 139 L HA 0.005 4.345 4.340 -0.000 0.000 0.204 139 L C 1.783 178.639 176.870 -0.024 0.000 1.130 139 L CA 0.548 55.383 54.840 -0.009 0.000 0.779 139 L CB -0.928 41.127 42.059 -0.006 0.000 0.918 139 L HN 0.139 nan 8.230 nan 0.000 0.450 140 Q N 1.668 121.451 119.800 -0.029 0.000 2.448 140 Q HA 0.445 4.785 4.340 -0.000 0.000 0.192 140 Q C -0.755 175.204 176.000 -0.069 0.000 1.001 140 Q CA -0.826 54.951 55.803 -0.045 0.000 1.018 140 Q CB 1.344 30.063 28.738 -0.032 0.000 1.290 140 Q HN 0.408 nan 8.270 nan 0.000 0.517 141 R N 0.004 120.455 120.500 -0.082 0.000 2.531 141 R HA 0.576 4.916 4.340 -0.000 0.000 0.293 141 R C -1.279 174.972 176.300 -0.082 0.000 1.124 141 R CA -0.523 55.508 56.100 -0.115 0.000 0.945 141 R CB 0.768 30.947 30.300 -0.202 0.000 1.195 141 R HN 0.741 nan 8.270 nan 0.000 0.433 142 I N 2.224 122.759 120.570 -0.058 0.000 2.566 142 I HA 0.365 4.535 4.170 -0.000 0.000 0.303 142 I C -0.240 175.868 176.117 -0.015 0.000 0.983 142 I CA -0.921 60.368 61.300 -0.018 0.000 1.235 142 I CB 1.657 39.674 38.000 0.029 0.000 1.386 142 I HN 0.727 nan 8.210 nan 0.000 0.494 143 K N 5.103 125.511 120.400 0.014 0.000 2.127 143 K HA 0.604 4.924 4.320 -0.000 0.000 0.240 143 K C -1.457 175.181 176.600 0.063 0.000 1.024 143 K CA -0.489 55.810 56.287 0.020 0.000 0.918 143 K CB 0.979 33.488 32.500 0.015 0.000 1.108 143 K HN 0.533 nan 8.250 nan 0.000 0.485 144 L N 1.687 122.946 121.223 0.059 0.000 2.408 144 L HA 0.490 4.830 4.340 -0.000 0.000 0.268 144 L C -0.599 176.326 176.870 0.091 0.000 0.986 144 L CA -0.706 54.191 54.840 0.096 0.000 0.820 144 L CB 2.133 44.226 42.059 0.057 0.000 1.303 144 L HN 0.609 nan 8.230 nan 0.000 0.411 145 K N 0.698 121.170 120.400 0.120 0.000 2.261 145 K HA 0.944 5.264 4.320 -0.000 0.000 0.242 145 K C -0.129 176.538 176.600 0.112 0.000 1.083 145 K CA -0.600 55.738 56.287 0.086 0.000 0.880 145 K CB 2.078 34.610 32.500 0.053 0.000 1.353 145 K HN 0.734 nan 8.250 nan 0.000 0.486 146 G N 0.023 108.876 108.800 0.088 0.000 2.416 146 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.203 146 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.203 146 G C -0.792 174.179 174.900 0.118 0.000 1.227 146 G CA -0.292 44.871 45.100 0.104 0.000 1.041 146 G HN 0.691 nan 8.290 nan 0.000 0.546 147 T N -0.913 113.734 114.554 0.154 0.000 3.375 147 T HA 0.642 4.991 4.350 -0.000 0.000 0.363 147 T C -0.137 174.740 174.700 0.295 0.000 1.837 147 T CA 0.104 62.304 62.100 0.167 0.000 1.445 147 T CB 0.369 69.308 68.868 0.118 0.000 1.089 147 T HN 1.235 nan 8.240 nan 0.000 0.722 148 I N 1.600 122.348 120.570 0.297 0.000 2.466 148 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 148 I C -1.061 175.184 176.117 0.214 0.000 1.026 148 I CA -0.788 60.752 61.300 0.400 0.000 1.078 148 I CB 1.601 39.685 38.000 0.139 0.000 1.249 148 I HN 0.273 nan 8.210 nan 0.000 0.429 149 D N 5.314 125.872 120.400 0.263 0.000 2.425 149 D HA 0.096 4.736 4.640 -0.000 0.000 0.247 149 D C 0.587 176.937 176.300 0.084 0.000 1.147 149 D CA 0.203 54.298 54.000 0.160 0.000 0.879 149 D CB 1.722 42.634 40.800 0.187 0.000 1.179 149 D HN 0.331 nan 8.370 nan 0.000 0.456 150 V N 2.689 122.634 119.914 0.051 0.000 2.922 150 V HA -0.106 4.014 4.120 -0.000 0.000 0.242 150 V C 2.295 178.386 176.094 -0.005 0.000 1.094 150 V CA 1.051 63.366 62.300 0.025 0.000 1.106 150 V CB -0.416 31.425 31.823 0.031 0.000 0.799 150 V HN 0.649 nan 8.190 nan 0.000 0.474 151 S N 0.372 116.065 115.700 -0.012 0.000 2.420 151 S HA -0.265 4.205 4.470 -0.000 0.000 0.237 151 S C 1.851 176.385 174.600 -0.109 0.000 1.023 151 S CA 1.726 59.893 58.200 -0.055 0.000 0.991 151 S CB -0.237 62.933 63.200 -0.051 0.000 0.792 151 S HN 0.586 nan 8.310 nan 0.000 0.488 152 K N -0.058 120.290 120.400 -0.086 0.000 2.078 152 K HA 0.199 4.519 4.320 -0.000 0.000 0.203 152 K C 0.045 176.485 176.600 -0.267 0.000 1.043 152 K CA 0.235 56.420 56.287 -0.169 0.000 0.960 152 K CB -0.084 32.390 32.500 -0.044 0.000 0.761 152 K HN 0.220 nan 8.250 nan 0.000 0.448 153 L N 0.916 122.090 121.223 -0.083 0.000 2.418 153 L HA 0.189 4.529 4.340 -0.000 0.000 0.265 153 L C -0.378 176.463 176.870 -0.049 0.000 1.143 153 L CA -0.006 54.821 54.840 -0.022 0.000 0.809 153 L CB 1.538 43.694 42.059 0.162 0.000 1.124 153 L HN -0.130 nan 8.230 nan 0.000 0.456 154 V N -1.430 118.486 119.914 0.003 0.000 3.087 154 V HA 0.340 4.460 4.120 -0.000 0.000 0.306 154 V C -0.519 175.620 176.094 0.076 0.000 1.187 154 V CA -1.290 61.036 62.300 0.043 0.000 0.999 154 V CB 1.972 33.817 31.823 0.038 0.000 1.049 154 V HN 0.794 nan 8.190 nan 0.000 0.431 155 T N 1.235 115.807 114.554 0.031 0.000 2.466 155 T HA 0.306 4.656 4.350 -0.000 0.000 0.234 155 T C 1.220 175.813 174.700 -0.179 0.000 1.069 155 T CA 0.957 62.974 62.100 -0.138 0.000 1.271 155 T CB -0.533 68.263 68.868 -0.119 0.000 1.048 155 T HN 2.047 nan 8.240 nan 0.000 0.487 156 G N 2.463 111.092 108.800 -0.284 0.000 2.296 156 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.188 156 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.188 156 G C 0.235 175.136 174.900 0.002 0.000 1.000 156 G CA -0.281 44.730 45.100 -0.147 0.000 0.672 156 G HN 0.928 nan 8.290 nan 0.000 0.483 157 T N 0.847 115.455 114.554 0.090 0.000 2.855 157 T HA 0.435 4.785 4.350 -0.000 0.000 0.314 157 T C 0.226 175.016 174.700 0.150 0.000 1.077 157 T CA 0.548 62.760 62.100 0.186 0.000 1.095 157 T CB 2.270 71.356 68.868 0.364 0.000 0.987 157 T HN 0.687 nan 8.240 nan 0.000 0.546 158 V N 4.080 124.104 119.914 0.182 0.000 2.340 158 V HA 0.379 4.499 4.120 -0.000 0.000 0.277 158 V C 0.092 176.305 176.094 0.198 0.000 1.017 158 V CA -0.749 61.652 62.300 0.168 0.000 0.820 158 V CB 0.257 32.175 31.823 0.158 0.000 1.028 158 V HN 0.729 nan 8.190 nan 0.000 0.436 159 L N 1.877 123.173 121.223 0.121 0.000 2.347 159 L HA 1.100 5.440 4.340 -0.000 0.000 0.268 159 L C 0.115 176.984 176.870 -0.002 0.000 1.019 159 L CA -0.819 54.009 54.840 -0.019 0.000 0.806 159 L CB 1.973 43.888 42.059 -0.240 0.000 1.339 159 L HN 0.462 nan 8.230 nan 0.000 0.463 160 A N 1.334 124.144 122.820 -0.017 0.000 2.536 160 A HA 0.582 4.902 4.320 -0.000 0.000 0.329 160 A C -0.554 177.195 177.584 0.275 0.000 1.321 160 A CA -0.439 51.679 52.037 0.136 0.000 0.804 160 A CB 0.682 19.770 19.000 0.148 0.000 1.126 160 A HN 0.520 nan 8.150 nan 0.000 0.480 161 V N 2.744 122.756 119.914 0.164 0.000 2.732 161 V HA 0.683 4.803 4.120 -0.000 0.000 0.297 161 V C -0.876 175.345 176.094 0.212 0.000 1.060 161 V CA -0.245 62.155 62.300 0.167 0.000 1.038 161 V CB 1.336 33.095 31.823 -0.107 0.000 1.003 161 V HN 0.727 nan 8.190 nan 0.000 0.481 162 F N 5.126 125.104 119.950 0.047 0.000 2.562 162 F HA 0.831 5.358 4.527 -0.000 0.000 0.319 162 F C 0.011 175.869 175.800 0.097 0.000 1.154 162 F CA 0.552 58.479 58.000 -0.122 0.000 0.931 162 F CB 1.555 40.044 39.000 -0.853 0.000 1.198 162 F HN 0.819 nan 8.300 nan 0.000 0.444 163 G N 2.469 111.033 108.800 -0.394 0.000 2.356 163 G HA2 0.481 4.441 3.960 -0.000 0.000 0.281 163 G HA3 0.481 4.441 3.960 -0.000 0.000 0.281 163 G C -1.772 172.619 174.900 -0.847 0.000 1.246 163 G CA -0.270 44.553 45.100 -0.461 0.000 0.889 163 G HN 1.108 nan 8.290 nan 0.000 0.486 164 S N -1.337 113.681 115.700 -1.136 0.000 2.599 164 S HA 0.763 5.233 4.470 -0.000 0.000 0.287 164 S C -0.479 173.415 174.600 -1.176 0.000 1.105 164 S CA -0.618 56.964 58.200 -1.031 0.000 0.899 164 S CB 1.625 64.508 63.200 -0.529 0.000 1.100 164 S HN 1.270 nan 8.310 nan 0.000 0.482 165 V N 2.339 121.823 119.914 -0.716 0.000 2.686 165 V HA 0.511 4.631 4.120 -0.000 0.000 0.295 165 V C 0.316 176.250 176.094 -0.267 0.000 1.055 165 V CA -0.554 61.511 62.300 -0.391 0.000 1.050 165 V CB 0.188 31.925 31.823 -0.144 0.000 0.984 165 V HN 0.780 nan 8.190 nan 0.000 0.482 166 R N 2.062 122.456 120.500 -0.177 0.000 2.875 166 R HA 0.358 4.698 4.340 -0.000 0.000 0.251 166 R C 1.012 177.265 176.300 -0.078 0.000 1.123 166 R CA -1.034 54.990 56.100 -0.127 0.000 1.064 166 R CB 0.506 30.739 30.300 -0.112 0.000 1.205 166 R HN 0.825 nan 8.270 nan 0.000 0.503 167 D N -0.238 120.122 120.400 -0.067 0.000 2.265 167 D HA -0.197 4.443 4.640 -0.000 0.000 0.208 167 D C 0.616 176.893 176.300 -0.037 0.000 0.977 167 D CA 0.914 54.885 54.000 -0.048 0.000 0.871 167 D CB 0.137 40.911 40.800 -0.044 0.000 0.925 167 D HN 0.384 nan 8.370 nan 0.000 0.485 168 D N 0.125 120.503 120.400 -0.037 0.000 2.234 168 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 168 D C 1.870 178.158 176.300 -0.019 0.000 0.962 168 D CA 1.682 55.667 54.000 -0.025 0.000 0.855 168 D CB 0.145 40.932 40.800 -0.022 0.000 0.951 168 D HN 0.384 nan 8.370 nan 0.000 0.500 169 G N 0.168 108.954 108.800 -0.023 0.000 2.232 169 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 169 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 169 G C 0.332 175.237 174.900 0.007 0.000 0.996 169 G CA 0.226 45.319 45.100 -0.012 0.000 0.626 169 G HN 0.411 nan 8.290 nan 0.000 0.509 170 K N -0.109 120.296 120.400 0.009 0.000 2.154 170 K HA 0.566 4.886 4.320 -0.000 0.000 0.264 170 K C -0.766 175.874 176.600 0.067 0.000 1.008 170 K CA -0.658 55.656 56.287 0.044 0.000 0.937 170 K CB 1.265 33.784 32.500 0.033 0.000 1.002 170 K HN 0.129 nan 8.250 nan 0.000 0.469 171 F N 3.161 123.090 119.950 -0.035 0.000 2.391 171 F HA 0.250 4.777 4.527 -0.000 0.000 0.359 171 F C -0.342 175.436 175.800 -0.037 0.000 1.122 171 F CA -0.967 57.005 58.000 -0.045 0.000 1.120 171 F CB 0.554 39.526 39.000 -0.046 0.000 1.142 171 F HN 0.347 nan 8.300 nan 0.000 0.483 172 L N 7.748 128.917 121.223 -0.089 0.000 2.305 172 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 172 L C -1.241 175.699 176.870 0.117 0.000 1.085 172 L CA -0.447 54.398 54.840 0.009 0.000 0.813 172 L CB 0.908 42.908 42.059 -0.099 0.000 1.157 172 L HN 0.412 nan 8.230 nan 0.000 0.436 173 V N 5.228 125.284 119.914 0.236 0.000 2.483 173 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 173 V C 0.371 176.584 176.094 0.199 0.000 1.035 173 V CA -0.386 62.087 62.300 0.288 0.000 0.896 173 V CB 1.486 33.504 31.823 0.325 0.000 0.986 173 V HN 0.910 nan 8.190 nan 0.000 0.447 174 E N 1.493 121.818 120.200 0.209 0.000 2.399 174 E HA 0.189 4.539 4.350 -0.000 0.000 0.205 174 E C -0.457 176.231 176.600 0.147 0.000 0.906 174 E CA 0.262 56.761 56.400 0.166 0.000 0.998 174 E CB 0.883 30.689 29.700 0.177 0.000 1.002 174 E HN 0.823 nan 8.360 nan 0.000 0.501 175 D N -0.682 119.846 120.400 0.213 0.000 2.836 175 D HA 0.182 4.822 4.640 -0.000 0.000 0.215 175 D C -1.760 174.746 176.300 0.343 0.000 1.255 175 D CA -0.599 53.474 54.000 0.122 0.000 0.822 175 D CB 0.993 41.834 40.800 0.067 0.000 1.656 175 D HN -0.045 nan 8.370 nan 0.000 0.511 176 Y N 0.599 121.074 120.300 0.291 0.000 2.609 176 Y HA 0.819 5.369 4.550 -0.000 0.000 0.342 176 Y C -0.554 175.346 175.900 0.000 0.000 1.058 176 Y CA -1.420 56.806 58.100 0.211 0.000 1.055 176 Y CB 0.698 39.161 38.460 0.005 0.000 1.292 176 Y HN 0.637 nan 8.280 nan 0.000 0.476 177 C N -0.217 119.092 119.300 0.015 0.000 3.291 177 C HA 0.901 5.361 4.460 -0.000 0.000 0.316 177 C C -1.462 173.285 174.990 -0.403 0.000 1.391 177 C CA -1.130 57.812 59.018 -0.128 0.000 1.394 177 C CB 0.824 28.601 27.740 0.062 0.000 1.744 177 C HN 0.839 nan 8.230 nan 0.000 0.461 178 F N -0.612 119.377 119.950 0.065 0.000 2.654 178 F HA 0.749 5.276 4.527 -0.000 0.000 0.334 178 F C 1.392 177.153 175.800 -0.065 0.000 1.078 178 F CA -0.436 57.564 58.000 0.001 0.000 0.986 178 F CB 1.108 40.070 39.000 -0.063 0.000 1.362 178 F HN 0.861 nan 8.300 nan 0.000 0.498 179 A N -0.493 122.413 122.820 0.144 0.000 2.019 179 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 179 A C 0.992 178.510 177.584 -0.111 0.000 1.164 179 A CA 1.892 53.940 52.037 0.018 0.000 0.644 179 A CB -0.828 18.193 19.000 0.035 0.000 0.805 179 A HN 0.910 nan 8.150 nan 0.000 0.449 180 D N -2.109 118.210 120.400 -0.134 0.000 3.765 180 D HA -0.169 4.471 4.640 -0.000 0.000 0.174 180 D C -0.281 175.815 176.300 -0.340 0.000 1.131 180 D CA 1.574 55.435 54.000 -0.231 0.000 1.081 180 D CB -1.255 39.426 40.800 -0.197 0.000 0.584 180 D HN 0.276 nan 8.370 nan 0.000 0.662 181 L N 0.844 121.869 121.223 -0.330 0.000 2.343 181 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 181 L C 0.972 177.638 176.870 -0.339 0.000 1.056 181 L CA -0.446 54.166 54.840 -0.380 0.000 0.804 181 L CB 1.247 43.111 42.059 -0.325 0.000 1.203 181 L HN 0.509 nan 8.230 nan 0.000 0.440 182 A N 3.985 126.597 122.820 -0.346 0.000 2.249 182 A HA 0.639 4.959 4.320 -0.000 0.000 0.281 182 A C -2.289 175.166 177.584 -0.216 0.000 1.127 182 A CA -1.350 50.502 52.037 -0.308 0.000 0.833 182 A CB -0.333 18.512 19.000 -0.258 0.000 1.140 182 A HN 0.534 nan 8.150 nan 0.000 0.502 183 P HA 0.081 nan 4.420 nan 0.000 0.269 183 P C -1.056 176.176 177.300 -0.114 0.000 1.217 183 P CA 0.238 63.269 63.100 -0.114 0.000 0.783 183 P CB 0.594 32.252 31.700 -0.071 0.000 0.898 184 Q N 1.035 120.777 119.800 -0.098 0.000 2.418 184 Q HA 0.154 4.494 4.340 -0.000 0.000 0.240 184 Q C -0.931 175.037 176.000 -0.053 0.000 0.859 184 Q CA -0.660 55.077 55.803 -0.110 0.000 0.916 184 Q CB 1.326 29.961 28.738 -0.171 0.000 1.448 184 Q HN 0.435 nan 8.270 nan 0.000 0.439 185 K N 2.886 123.276 120.400 -0.017 0.000 2.185 185 K HA 0.527 4.847 4.320 -0.000 0.000 0.271 185 K C -2.576 174.101 176.600 0.127 0.000 1.013 185 K CA -1.620 54.688 56.287 0.035 0.000 0.943 185 K CB 0.546 33.066 32.500 0.034 0.000 0.998 185 K HN 0.219 nan 8.250 nan 0.000 0.468 186 P HA -0.001 nan 4.420 nan 0.000 0.268 186 P C -0.855 176.501 177.300 0.093 0.000 1.204 186 P CA -0.091 63.096 63.100 0.145 0.000 0.768 186 P CB 0.776 32.509 31.700 0.054 0.000 0.842 187 A N 5.592 128.361 122.820 -0.085 0.000 2.477 187 A HA 0.357 4.677 4.320 -0.000 0.000 0.246 187 A C -1.667 175.845 177.584 -0.119 0.000 1.078 187 A CA -0.917 50.953 52.037 -0.278 0.000 0.770 187 A CB -1.055 17.540 19.000 -0.675 0.000 1.011 187 A HN 0.459 nan 8.150 nan 0.000 0.494 188 P HA 0.186 nan 4.420 nan 0.000 0.270 188 P C -2.580 174.691 177.300 -0.048 0.000 1.223 188 P CA -0.807 62.270 63.100 -0.038 0.000 0.785 188 P CB -0.292 31.397 31.700 -0.018 0.000 0.923 189 P HA 0.226 nan 4.420 nan 0.000 0.271 189 P C -0.728 176.555 177.300 -0.028 0.000 1.216 189 P CA 0.134 63.212 63.100 -0.037 0.000 0.776 189 P CB 0.792 32.475 31.700 -0.029 0.000 0.881 190 L N 2.428 123.631 121.223 -0.034 0.000 2.334 190 L HA 0.306 4.646 4.340 -0.000 0.000 0.276 190 L C 1.119 177.977 176.870 -0.020 0.000 1.014 190 L CA -0.653 54.175 54.840 -0.019 0.000 0.815 190 L CB 1.630 43.676 42.059 -0.021 0.000 1.268 190 L HN 0.237 nan 8.230 nan 0.000 0.428 191 D N 0.036 120.435 120.400 -0.001 0.000 2.240 191 D HA -0.001 4.639 4.640 -0.000 0.000 0.206 191 D C 0.739 177.041 176.300 0.003 0.000 0.963 191 D CA 0.956 54.956 54.000 0.000 0.000 0.863 191 D CB 0.476 41.284 40.800 0.014 0.000 0.973 191 D HN 0.639 nan 8.370 nan 0.000 0.501 192 T N 0.155 114.723 114.554 0.023 0.000 2.861 192 T HA 0.338 4.688 4.350 -0.000 0.000 0.287 192 T C -0.477 174.241 174.700 0.030 0.000 1.003 192 T CA -1.120 60.999 62.100 0.031 0.000 0.977 192 T CB 2.434 71.364 68.868 0.102 0.000 0.996 192 T HN -0.165 nan 8.240 nan 0.000 0.448 193 D N 2.456 122.845 120.400 -0.018 0.000 2.506 193 D HA 0.154 4.794 4.640 -0.000 0.000 0.234 193 D C -0.152 176.231 176.300 0.139 0.000 1.143 193 D CA -0.237 53.753 54.000 -0.017 0.000 0.871 193 D CB 0.434 41.221 40.800 -0.023 0.000 1.190 193 D HN 0.370 nan 8.370 nan 0.000 0.459 194 R N 1.061 121.599 120.500 0.063 0.000 2.628 194 R HA 0.491 4.831 4.340 -0.000 0.000 0.288 194 R C -0.893 175.476 176.300 0.114 0.000 0.980 194 R CA -0.807 55.420 56.100 0.212 0.000 0.891 194 R CB 0.798 31.174 30.300 0.126 0.000 1.188 194 R HN 0.354 nan 8.270 nan 0.000 0.450 195 F N 0.257 120.269 119.950 0.104 0.000 2.507 195 F HA 0.607 5.134 4.527 -0.000 0.000 0.327 195 F C 0.255 176.074 175.800 0.031 0.000 1.068 195 F CA -1.111 56.936 58.000 0.079 0.000 0.965 195 F CB 1.732 40.772 39.000 0.067 0.000 1.192 195 F HN -0.021 nan 8.300 nan 0.000 0.476 196 V N 3.634 123.671 119.914 0.205 0.000 2.443 196 V HA 0.327 4.447 4.120 -0.000 0.000 0.293 196 V C -1.029 175.115 176.094 0.083 0.000 1.021 196 V CA -0.733 61.617 62.300 0.083 0.000 0.848 196 V CB 1.679 33.518 31.823 0.027 0.000 0.998 196 V HN 0.532 nan 8.190 nan 0.000 0.424 197 L N 7.149 128.378 121.223 0.010 0.000 2.260 197 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 197 L C -0.622 176.217 176.870 -0.050 0.000 1.057 197 L CA 0.301 55.128 54.840 -0.022 0.000 0.811 197 L CB 0.611 42.627 42.059 -0.072 0.000 1.184 197 L HN 0.526 nan 8.230 nan 0.000 0.429 198 L N 6.571 127.774 121.223 -0.035 0.000 2.287 198 L HA 0.675 5.015 4.340 -0.000 0.000 0.287 198 L C -0.622 176.205 176.870 -0.071 0.000 1.022 198 L CA -0.697 54.075 54.840 -0.113 0.000 0.814 198 L CB 1.549 43.518 42.059 -0.150 0.000 1.217 198 L HN 0.401 nan 8.230 nan 0.000 0.420 199 V N 1.632 121.479 119.914 -0.112 0.000 3.102 199 V HA 0.783 4.903 4.120 -0.000 0.000 0.312 199 V C -0.371 175.674 176.094 -0.081 0.000 1.135 199 V CA -0.603 61.661 62.300 -0.061 0.000 1.022 199 V CB 2.254 33.992 31.823 -0.142 0.000 1.056 199 V HN 0.821 nan 8.190 nan 0.000 0.436 200 S N 0.563 116.254 115.700 -0.014 0.000 2.558 200 S HA 0.610 5.080 4.470 -0.000 0.000 0.277 200 S C 0.040 174.655 174.600 0.025 0.000 1.143 200 S CA 0.660 58.845 58.200 -0.026 0.000 0.865 200 S CB 1.410 64.591 63.200 -0.032 0.000 1.102 200 S HN 2.645 nan 8.310 nan 0.000 0.454 201 G N 2.489 111.283 108.800 -0.010 0.000 2.212 201 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.255 201 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.255 201 G C 0.623 175.538 174.900 0.024 0.000 1.062 201 G CA 0.285 45.388 45.100 0.006 0.000 0.815 201 G HN 1.003 nan 8.290 nan 0.000 0.497 202 L N 0.311 121.507 121.223 -0.046 0.000 2.127 202 L HA 0.064 4.404 4.340 -0.000 0.000 0.211 202 L C 2.313 179.162 176.870 -0.035 0.000 1.089 202 L CA 1.158 55.949 54.840 -0.082 0.000 0.757 202 L CB -0.532 41.418 42.059 -0.181 0.000 0.899 202 L HN 1.220 nan 8.230 nan 0.000 0.434 203 G N 1.537 110.307 108.800 -0.049 0.000 2.290 203 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.270 203 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.270 203 G C -0.079 174.785 174.900 -0.060 0.000 0.891 203 G CA -0.052 45.011 45.100 -0.063 0.000 1.321 203 G HN 0.234 nan 8.290 nan 0.000 0.425 204 L N 0.116 121.299 121.223 -0.066 0.000 2.371 204 L HA 0.605 4.945 4.340 -0.000 0.000 0.272 204 L C 1.604 178.445 176.870 -0.049 0.000 1.124 204 L CA 0.670 55.480 54.840 -0.048 0.000 0.816 204 L CB 1.279 43.315 42.059 -0.038 0.000 1.129 204 L HN 0.874 nan 8.230 nan 0.000 0.448 205 G N 1.734 110.517 108.800 -0.030 0.000 2.796 205 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.198 205 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.198 205 G C 0.142 175.033 174.900 -0.016 0.000 1.062 205 G CA -0.261 44.828 45.100 -0.018 0.000 0.752 205 G HN 1.058 nan 8.290 nan 0.000 0.487 206 G N -2.010 106.774 108.800 -0.027 0.000 2.725 206 G HA2 0.689 4.649 3.960 -0.000 0.000 0.288 206 G HA3 0.689 4.649 3.960 -0.000 0.000 0.288 206 G C 0.748 175.637 174.900 -0.019 0.000 1.399 206 G CA 1.019 46.107 45.100 -0.019 0.000 0.859 206 G HN 1.862 nan 8.290 nan 0.000 0.479 207 G N -1.847 106.945 108.800 -0.014 0.000 2.255 207 G HA2 0.485 4.445 3.960 -0.000 0.000 0.196 207 G HA3 0.485 4.445 3.960 -0.000 0.000 0.196 207 G C 1.131 176.027 174.900 -0.007 0.000 0.998 207 G CA 1.021 46.115 45.100 -0.011 0.000 0.656 207 G HN 2.877 nan 8.290 nan 0.000 0.490 208 G N -0.883 107.913 108.800 -0.007 0.000 3.019 208 G HA2 0.382 4.342 3.960 -0.000 0.000 0.686 208 G HA3 0.382 4.342 3.960 -0.000 0.000 0.686 208 G C 1.371 176.267 174.900 -0.007 0.000 1.056 208 G CA 0.730 45.827 45.100 -0.006 0.000 0.774 208 G HN 1.800 nan 8.290 nan 0.000 0.583 209 G N 0.120 108.914 108.800 -0.010 0.000 2.549 209 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.222 209 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.222 209 G C 1.321 176.210 174.900 -0.018 0.000 1.100 209 G CA 1.584 46.675 45.100 -0.015 0.000 0.739 209 G HN 0.850 nan 8.290 nan 0.000 0.577 210 E N 0.528 120.718 120.200 -0.017 0.000 2.106 210 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 210 E C 2.653 179.251 176.600 -0.003 0.000 0.984 210 E CA 0.977 57.364 56.400 -0.022 0.000 0.806 210 E CB -0.315 29.373 29.700 -0.021 0.000 0.750 210 E HN 0.383 nan 8.360 nan 0.000 0.458 211 S N 0.064 115.769 115.700 0.008 0.000 2.419 211 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 211 S C 2.027 176.665 174.600 0.064 0.000 1.019 211 S CA 0.733 58.960 58.200 0.045 0.000 0.982 211 S CB -0.089 63.134 63.200 0.038 0.000 0.789 211 S HN 0.185 nan 8.310 nan 0.000 0.490 212 L N 0.332 121.564 121.223 0.014 0.000 1.982 212 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 212 L C 2.400 179.256 176.870 -0.022 0.000 1.078 212 L CA 1.094 55.926 54.840 -0.013 0.000 0.749 212 L CB -0.886 41.157 42.059 -0.028 0.000 0.894 212 L HN 0.320 nan 8.230 nan 0.000 0.436 213 L N 0.810 122.014 121.223 -0.031 0.000 2.034 213 L HA -0.208 4.132 4.340 -0.000 0.000 0.217 213 L C 2.300 179.158 176.870 -0.019 0.000 1.077 213 L CA 2.351 57.166 54.840 -0.043 0.000 0.769 213 L CB -1.252 40.767 42.059 -0.068 0.000 0.890 213 L HN 0.268 nan 8.230 nan 0.000 0.435 214 G N -2.171 106.647 108.800 0.031 0.000 2.491 214 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 214 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 214 G C 1.445 176.373 174.900 0.046 0.000 1.180 214 G CA 1.358 46.524 45.100 0.110 0.000 0.774 214 G HN 0.465 nan 8.290 nan 0.000 0.562 215 T N 0.299 114.881 114.554 0.047 0.000 2.720 215 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 215 T C 2.255 176.788 174.700 -0.279 0.000 1.037 215 T CA 1.617 63.590 62.100 -0.211 0.000 1.144 215 T CB -0.243 68.506 68.868 -0.198 0.000 0.864 215 T HN 0.463 nan 8.240 nan 0.000 0.444 216 Q N 0.599 120.297 119.800 -0.170 0.000 2.030 216 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 216 Q C 2.369 178.261 176.000 -0.180 0.000 0.986 216 Q CA 1.353 57.063 55.803 -0.156 0.000 0.843 216 Q CB -0.365 28.315 28.738 -0.096 0.000 0.904 216 Q HN 0.495 nan 8.270 nan 0.000 0.420 217 L N 0.647 121.780 121.223 -0.151 0.000 2.013 217 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 217 L C 2.634 179.310 176.870 -0.323 0.000 1.073 217 L CA 0.957 55.738 54.840 -0.099 0.000 0.753 217 L CB -0.771 41.351 42.059 0.104 0.000 0.890 217 L HN 0.360 nan 8.230 nan 0.000 0.432 218 L N -0.150 120.564 121.223 -0.849 0.000 1.956 218 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 218 L C 2.471 179.081 176.870 -0.434 0.000 1.073 218 L CA 1.906 56.101 54.840 -1.074 0.000 0.762 218 L CB -0.743 40.687 42.059 -1.048 0.000 0.889 218 L HN -0.055 nan 8.230 nan 0.000 0.433 219 V N 0.343 120.038 119.914 -0.366 0.000 2.250 219 V HA -0.375 3.745 4.120 -0.000 0.000 0.250 219 V C 2.331 178.329 176.094 -0.161 0.000 1.060 219 V CA 2.203 64.356 62.300 -0.245 0.000 1.030 219 V CB -1.112 30.578 31.823 -0.221 0.000 0.643 219 V HN 0.491 nan 8.190 nan 0.000 0.445 220 D N -0.252 120.069 120.400 -0.131 0.000 2.271 220 D HA -0.121 4.519 4.640 -0.000 0.000 0.207 220 D C 1.950 178.237 176.300 -0.021 0.000 0.983 220 D CA 1.081 55.041 54.000 -0.066 0.000 0.878 220 D CB -0.223 40.551 40.800 -0.043 0.000 0.920 220 D HN 0.394 nan 8.370 nan 0.000 0.479 221 V N 0.129 120.042 119.914 -0.002 0.000 2.446 221 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 221 V C 2.524 178.624 176.094 0.010 0.000 1.039 221 V CA 0.932 63.268 62.300 0.060 0.000 1.045 221 V CB -0.292 31.638 31.823 0.178 0.000 0.681 221 V HN 0.087 nan 8.190 nan 0.000 0.459 222 V N -0.436 119.451 119.914 -0.045 0.000 2.548 222 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 222 V C 2.433 178.491 176.094 -0.061 0.000 1.055 222 V CA 2.140 64.397 62.300 -0.071 0.000 1.065 222 V CB -1.553 30.205 31.823 -0.109 0.000 0.681 222 V HN 0.567 nan 8.190 nan 0.000 0.462 223 T N 0.337 114.851 114.554 -0.067 0.000 2.777 223 T HA 0.159 4.508 4.350 -0.000 0.000 0.266 223 T C 1.617 176.301 174.700 -0.027 0.000 1.040 223 T CA 1.817 63.879 62.100 -0.064 0.000 1.141 223 T CB -0.331 68.491 68.868 -0.077 0.000 0.868 223 T HN 0.957 nan 8.240 nan 0.000 0.444 224 G N 0.009 108.807 108.800 -0.003 0.000 2.183 224 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.168 224 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.168 224 G C 0.817 175.734 174.900 0.028 0.000 1.008 224 G CA 0.179 45.298 45.100 0.032 0.000 0.677 224 G HN 0.311 nan 8.290 nan 0.000 0.498 225 Q N -0.405 119.400 119.800 0.008 0.000 1.969 225 Q HA 0.141 4.481 4.340 -0.000 0.000 0.198 225 Q C 1.830 177.841 176.000 0.019 0.000 0.978 225 Q CA 1.699 57.505 55.803 0.005 0.000 0.830 225 Q CB -0.443 28.288 28.738 -0.012 0.000 0.896 225 Q HN 0.959 nan 8.270 nan 0.000 0.431 226 L N -2.129 119.110 121.223 0.027 0.000 2.431 226 L HA 0.779 5.119 4.340 -0.000 0.000 0.260 226 L C 0.495 177.392 176.870 0.045 0.000 1.098 226 L CA 0.065 54.927 54.840 0.037 0.000 0.800 226 L CB 0.407 42.494 42.059 0.046 0.000 1.210 226 L HN 0.421 nan 8.230 nan 0.000 0.465 227 G N -0.173 108.649 108.800 0.036 0.000 2.707 227 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.686 227 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.686 227 G C -1.105 173.804 174.900 0.014 0.000 1.315 227 G CA -0.117 44.995 45.100 0.021 0.000 0.832 227 G HN 1.078 nan 8.290 nan 0.000 0.573 228 D N -0.576 119.813 120.400 -0.019 0.000 2.432 228 D HA 0.344 4.984 4.640 -0.000 0.000 0.258 228 D C 1.738 178.052 176.300 0.023 0.000 1.146 228 D CA -0.304 53.688 54.000 -0.013 0.000 1.015 228 D CB 1.086 41.836 40.800 -0.084 0.000 1.107 228 D HN 0.524 nan 8.370 nan 0.000 0.529 229 E N 0.139 120.386 120.200 0.079 0.000 2.233 229 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 229 E C 1.664 178.304 176.600 0.066 0.000 1.004 229 E CA 1.133 57.657 56.400 0.207 0.000 0.819 229 E CB -0.045 29.802 29.700 0.246 0.000 0.738 229 E HN 0.603 nan 8.360 nan 0.000 0.478 230 G N 1.415 110.188 108.800 -0.045 0.000 2.453 230 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.215 230 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.215 230 G C 1.361 176.140 174.900 -0.202 0.000 1.201 230 G CA 0.496 45.514 45.100 -0.136 0.000 0.784 230 G HN 0.115 nan 8.290 nan 0.000 0.545 231 E N 0.624 120.722 120.200 -0.170 0.000 2.035 231 E HA -0.228 4.122 4.350 -0.000 0.000 0.204 231 E C 2.689 179.236 176.600 -0.089 0.000 1.025 231 E CA 1.571 57.887 56.400 -0.139 0.000 0.835 231 E CB -0.507 29.172 29.700 -0.035 0.000 0.764 231 E HN 0.586 nan 8.360 nan 0.000 0.457 232 Q N -0.030 119.745 119.800 -0.041 0.000 2.029 232 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 232 Q C 2.535 178.359 176.000 -0.293 0.000 0.999 232 Q CA 1.874 57.667 55.803 -0.018 0.000 0.857 232 Q CB -0.622 28.230 28.738 0.191 0.000 0.926 232 Q HN 0.382 nan 8.270 nan 0.000 0.415 233 C N -0.095 118.776 119.300 -0.716 0.000 2.410 233 C HA -0.136 4.324 4.460 -0.000 0.000 0.281 233 C C 2.915 177.665 174.990 -0.401 0.000 1.318 233 C CA 1.311 59.594 59.018 -1.226 0.000 1.776 233 C CB -0.837 26.243 27.740 -1.101 0.000 1.942 233 C HN 0.465 nan 8.230 nan 0.000 0.508 234 S N -0.565 114.985 115.700 -0.250 0.000 2.404 234 S HA 0.162 4.632 4.470 -0.000 0.000 0.223 234 S C 2.148 176.747 174.600 -0.001 0.000 1.040 234 S CA 0.925 59.046 58.200 -0.130 0.000 0.957 234 S CB -0.299 62.639 63.200 -0.438 0.000 0.826 234 S HN 0.775 nan 8.310 nan 0.000 0.491 235 A N 1.604 124.460 122.820 0.060 0.000 1.940 235 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 235 A C 2.289 179.857 177.584 -0.025 0.000 1.176 235 A CA 1.848 53.915 52.037 0.051 0.000 0.631 235 A CB -1.107 17.927 19.000 0.057 0.000 0.814 235 A HN 0.583 nan 8.150 nan 0.000 0.446 236 A N -1.086 121.691 122.820 -0.072 0.000 2.024 236 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 236 A C 1.802 179.308 177.584 -0.130 0.000 1.164 236 A CA 1.894 53.865 52.037 -0.110 0.000 0.643 236 A CB -0.859 18.019 19.000 -0.202 0.000 0.806 236 A HN 0.705 nan 8.150 nan 0.000 0.451 237 H N -1.447 117.592 119.070 -0.052 0.000 2.556 237 H HA 0.206 4.762 4.556 -0.000 0.000 0.268 237 H C 0.092 175.504 175.328 0.141 0.000 0.996 237 H CA 0.234 56.315 56.048 0.055 0.000 1.157 237 H CB -0.024 29.805 29.762 0.112 0.000 1.355 237 H HN 0.211 nan 8.280 nan 0.000 0.597 238 V N 0.712 120.704 119.914 0.130 0.000 2.479 238 V HA -0.074 4.045 4.120 -0.000 0.000 0.281 238 V C 1.317 177.459 176.094 0.081 0.000 1.031 238 V CA 0.590 62.969 62.300 0.133 0.000 1.038 238 V CB 1.424 33.252 31.823 0.009 0.000 0.981 238 V HN 0.368 nan 8.190 nan 0.000 0.478 239 S N 5.370 121.129 115.700 0.098 0.000 2.439 239 S HA 0.232 4.702 4.470 -0.000 0.000 0.224 239 S C 0.786 175.372 174.600 -0.023 0.000 1.029 239 S CA 0.511 58.733 58.200 0.037 0.000 0.946 239 S CB 0.103 63.335 63.200 0.054 0.000 0.797 239 S HN 0.782 nan 8.310 nan 0.000 0.504 240 R N -0.788 119.688 120.500 -0.039 0.000 2.716 240 R HA 0.573 4.913 4.340 -0.000 0.000 0.271 240 R C -2.008 174.239 176.300 -0.087 0.000 1.028 240 R CA -0.721 55.327 56.100 -0.086 0.000 0.883 240 R CB 1.988 32.223 30.300 -0.108 0.000 1.250 240 R HN 0.037 nan 8.270 nan 0.000 0.465 241 V N 2.716 122.567 119.914 -0.105 0.000 2.483 241 V HA 0.483 4.603 4.120 -0.000 0.000 0.297 241 V C -0.540 175.490 176.094 -0.108 0.000 1.027 241 V CA -0.594 61.639 62.300 -0.111 0.000 0.855 241 V CB 1.887 33.630 31.823 -0.133 0.000 0.995 241 V HN 0.522 nan 8.190 nan 0.000 0.424 242 I N 5.833 126.341 120.570 -0.105 0.000 2.355 242 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 242 I C -0.557 175.474 176.117 -0.143 0.000 0.999 242 I CA -0.466 60.783 61.300 -0.085 0.000 1.163 242 I CB 1.456 39.427 38.000 -0.050 0.000 1.316 242 I HN 0.286 nan 8.210 nan 0.000 0.454 243 L N 6.205 127.348 121.223 -0.133 0.000 2.257 243 L HA 0.523 4.863 4.340 -0.000 0.000 0.290 243 L C 0.412 177.222 176.870 -0.100 0.000 1.044 243 L CA -0.489 54.264 54.840 -0.144 0.000 0.810 243 L CB 1.407 43.365 42.059 -0.168 0.000 1.193 243 L HN 0.644 nan 8.230 nan 0.000 0.425 244 A N 3.474 126.236 122.820 -0.096 0.000 2.736 244 A HA 0.622 4.942 4.320 -0.000 0.000 0.335 244 A C 0.849 178.426 177.584 -0.012 0.000 1.446 244 A CA 0.186 52.210 52.037 -0.021 0.000 1.028 244 A CB -0.049 18.951 19.000 -0.000 0.000 1.154 244 A HN 0.987 nan 8.150 nan 0.000 0.507 245 G N 2.101 110.893 108.800 -0.013 0.000 2.960 245 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.267 245 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.267 245 G C 0.164 175.053 174.900 -0.019 0.000 1.492 245 G CA -0.178 44.918 45.100 -0.007 0.000 0.953 245 G HN 1.545 nan 8.290 nan 0.000 0.555 246 N N -1.393 117.303 118.700 -0.008 0.000 2.681 246 N HA -0.164 4.576 4.740 -0.000 0.000 0.259 246 N C 1.262 176.746 175.510 -0.044 0.000 1.066 246 N CA 1.116 54.151 53.050 -0.025 0.000 0.717 246 N CB -0.765 37.703 38.487 -0.033 0.000 0.885 246 N HN 0.624 nan 8.380 nan 0.000 0.547 247 L N -0.959 120.241 121.223 -0.037 0.000 2.354 247 L HA 0.196 4.536 4.340 -0.000 0.000 0.212 247 L C 0.927 177.763 176.870 -0.057 0.000 1.091 247 L CA 0.889 55.693 54.840 -0.059 0.000 0.828 247 L CB 0.126 42.147 42.059 -0.063 0.000 0.973 247 L HN 0.168 nan 8.230 nan 0.000 0.461 248 L N -1.335 119.858 121.223 -0.051 0.000 2.333 248 L HA 0.534 4.874 4.340 -0.000 0.000 0.269 248 L C -0.303 176.396 176.870 -0.285 0.000 1.010 248 L CA -0.271 54.509 54.840 -0.101 0.000 0.818 248 L CB 2.015 44.073 42.059 -0.001 0.000 1.306 248 L HN -0.202 nan 8.230 nan 0.000 0.430 249 S N -0.534 114.916 115.700 -0.417 0.000 2.564 249 S HA 0.658 5.128 4.470 -0.000 0.000 0.274 249 S C -1.211 172.997 174.600 -0.654 0.000 1.124 249 S CA -0.625 57.227 58.200 -0.579 0.000 0.869 249 S CB 1.090 64.137 63.200 -0.256 0.000 1.105 249 S HN 0.666 nan 8.310 nan 0.000 0.472 265 T N -0.393 114.168 114.554 0.012 0.000 2.693 265 T HA -0.389 3.961 4.350 -0.000 0.000 0.263 265 T C 1.578 176.284 174.700 0.010 0.000 1.046 265 T CA 2.344 64.450 62.100 0.011 0.000 1.160 265 T CB -0.750 68.124 68.868 0.008 0.000 0.853 265 T HN 0.448 nan 8.240 nan 0.000 0.462 266 K N 1.922 122.327 120.400 0.009 0.000 1.980 266 K HA -0.136 4.184 4.320 -0.000 0.000 0.223 266 K C 2.279 178.885 176.600 0.009 0.000 1.052 266 K CA 2.154 58.446 56.287 0.007 0.000 0.974 266 K CB -0.626 31.878 32.500 0.007 0.000 0.734 266 K HN 0.537 nan 8.250 nan 0.000 0.447 267 K N -0.507 119.899 120.400 0.011 0.000 2.116 267 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 267 K C 2.156 178.766 176.600 0.017 0.000 1.052 267 K CA 1.533 57.828 56.287 0.012 0.000 0.952 267 K CB -0.210 32.297 32.500 0.012 0.000 0.729 267 K HN 0.283 nan 8.250 nan 0.000 0.446 268 T N 1.547 116.113 114.554 0.019 0.000 2.699 268 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 268 T C 1.807 176.524 174.700 0.029 0.000 1.036 268 T CA 1.427 63.543 62.100 0.027 0.000 1.147 268 T CB -0.174 68.711 68.868 0.027 0.000 0.862 268 T HN 0.312 nan 8.240 nan 0.000 0.446 269 Q N 0.672 120.485 119.800 0.020 0.000 1.948 269 Q HA -0.182 4.158 4.340 -0.000 0.000 0.205 269 Q C 2.696 178.708 176.000 0.020 0.000 0.992 269 Q CA 1.789 57.603 55.803 0.018 0.000 0.849 269 Q CB -0.461 28.282 28.738 0.009 0.000 0.918 269 Q HN 0.511 nan 8.270 nan 0.000 0.421 270 A N 1.052 123.882 122.820 0.015 0.000 1.909 270 A HA -0.331 3.989 4.320 -0.000 0.000 0.221 270 A C 2.309 179.905 177.584 0.020 0.000 1.223 270 A CA 2.853 54.898 52.037 0.014 0.000 0.658 270 A CB -1.431 17.575 19.000 0.011 0.000 0.831 270 A HN 0.650 nan 8.150 nan 0.000 0.462 271 A N -1.257 121.578 122.820 0.024 0.000 1.849 271 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 271 A C 2.510 180.118 177.584 0.041 0.000 1.202 271 A CA 2.708 54.763 52.037 0.029 0.000 0.629 271 A CB -1.386 17.633 19.000 0.032 0.000 0.834 271 A HN 0.722 nan 8.150 nan 0.000 0.447 272 S N -0.953 114.780 115.700 0.056 0.000 2.387 272 S HA -0.162 4.308 4.470 -0.000 0.000 0.230 272 S C 1.878 176.514 174.600 0.060 0.000 1.035 272 S CA 1.770 60.019 58.200 0.081 0.000 1.014 272 S CB -0.607 62.647 63.200 0.090 0.000 0.836 272 S HN 0.348 nan 8.310 nan 0.000 0.466 273 V N 1.216 121.153 119.914 0.038 0.000 2.307 273 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 273 V C 2.493 178.604 176.094 0.028 0.000 1.045 273 V CA 2.118 64.433 62.300 0.026 0.000 1.024 273 V CB -0.970 30.861 31.823 0.013 0.000 0.651 273 V HN 0.498 nan 8.190 nan 0.000 0.449 274 E N 1.161 121.376 120.200 0.025 0.000 2.033 274 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 274 E C 2.106 178.723 176.600 0.027 0.000 1.011 274 E CA 1.980 58.393 56.400 0.022 0.000 0.815 274 E CB -0.696 29.014 29.700 0.016 0.000 0.755 274 E HN 0.466 nan 8.360 nan 0.000 0.451 275 A N 0.359 123.198 122.820 0.032 0.000 1.863 275 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 275 A C 2.564 180.180 177.584 0.052 0.000 1.233 275 A CA 2.729 54.785 52.037 0.032 0.000 0.655 275 A CB -1.397 17.626 19.000 0.037 0.000 0.839 275 A HN 0.227 nan 8.150 nan 0.000 0.454 276 V N 1.035 120.995 119.914 0.077 0.000 2.277 276 V HA -0.405 3.714 4.120 -0.000 0.000 0.253 276 V C 2.601 178.768 176.094 0.122 0.000 1.067 276 V CA 2.812 65.184 62.300 0.121 0.000 1.047 276 V CB -0.935 30.939 31.823 0.085 0.000 0.649 276 V HN 0.756 nan 8.190 nan 0.000 0.447 277 K N -0.395 120.048 120.400 0.072 0.000 2.015 277 K HA -0.271 4.049 4.320 -0.000 0.000 0.216 277 K C 2.228 178.859 176.600 0.053 0.000 1.052 277 K CA 2.535 58.858 56.287 0.061 0.000 0.937 277 K CB -0.301 32.219 32.500 0.033 0.000 0.719 277 K HN 0.425 nan 8.250 nan 0.000 0.446 278 M N 0.603 120.219 119.600 0.027 0.000 2.073 278 M HA -0.220 4.260 4.480 -0.000 0.000 0.258 278 M C 2.343 178.632 176.300 -0.019 0.000 1.070 278 M CA 1.389 56.688 55.300 -0.003 0.000 1.103 278 M CB -0.528 32.062 32.600 -0.018 0.000 1.321 278 M HN 0.256 nan 8.290 nan 0.000 0.405 279 L N 0.845 122.066 121.223 -0.003 0.000 2.129 279 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 279 L C 1.760 178.583 176.870 -0.078 0.000 1.087 279 L CA 2.104 56.912 54.840 -0.053 0.000 0.757 279 L CB -0.992 41.069 42.059 0.004 0.000 0.896 279 L HN 0.244 nan 8.230 nan 0.000 0.434 280 D N -0.450 119.987 120.400 0.061 0.000 2.084 280 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 280 D C 1.988 178.283 176.300 -0.008 0.000 0.985 280 D CA 1.633 55.691 54.000 0.096 0.000 0.826 280 D CB -0.023 40.895 40.800 0.196 0.000 0.978 280 D HN 0.573 nan 8.370 nan 0.000 0.456 281 E N 0.035 120.232 120.200 -0.006 0.000 2.070 281 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 281 E C 2.477 179.030 176.600 -0.079 0.000 1.004 281 E CA 0.816 57.197 56.400 -0.031 0.000 0.805 281 E CB -0.107 29.578 29.700 -0.025 0.000 0.744 281 E HN 0.415 nan 8.360 nan 0.000 0.451 282 I N 1.081 121.586 120.570 -0.109 0.000 2.113 282 I HA -0.294 3.876 4.170 -0.000 0.000 0.238 282 I C 2.542 178.549 176.117 -0.184 0.000 1.070 282 I CA 1.082 62.289 61.300 -0.155 0.000 1.332 282 I CB -0.319 37.571 38.000 -0.183 0.000 1.044 282 I HN 0.117 nan 8.210 nan 0.000 0.402 283 L N 0.127 121.221 121.223 -0.216 0.000 2.081 283 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 283 L C 2.581 179.337 176.870 -0.190 0.000 1.080 283 L CA 1.008 55.697 54.840 -0.251 0.000 0.754 283 L CB -0.553 41.281 42.059 -0.374 0.000 0.893 283 L HN 0.341 nan 8.230 nan 0.000 0.433 284 L N -0.079 121.065 121.223 -0.131 0.000 1.961 284 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 284 L C 2.610 179.361 176.870 -0.199 0.000 1.072 284 L CA 1.813 56.592 54.840 -0.102 0.000 0.749 284 L CB -0.830 41.217 42.059 -0.020 0.000 0.889 284 L HN 0.279 nan 8.230 nan 0.000 0.432 285 Q N -0.415 119.287 119.800 -0.163 0.000 2.096 285 Q HA -0.268 4.072 4.340 -0.000 0.000 0.208 285 Q C 2.322 178.189 176.000 -0.222 0.000 0.993 285 Q CA 2.242 57.940 55.803 -0.176 0.000 0.862 285 Q CB -0.652 28.003 28.738 -0.139 0.000 0.915 285 Q HN 0.547 nan 8.270 nan 0.000 0.416 286 L N 0.653 121.746 121.223 -0.217 0.000 1.989 286 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 286 L C 2.593 179.308 176.870 -0.259 0.000 1.071 286 L CA 1.356 56.064 54.840 -0.220 0.000 0.749 286 L CB -0.514 41.415 42.059 -0.216 0.000 0.890 286 L HN 0.157 nan 8.230 nan 0.000 0.431 287 S N -0.027 115.493 115.700 -0.300 0.000 2.400 287 S HA -0.190 4.280 4.470 -0.000 0.000 0.232 287 S C 2.056 176.281 174.600 -0.625 0.000 1.025 287 S CA 1.192 59.174 58.200 -0.364 0.000 0.993 287 S CB -0.405 62.619 63.200 -0.293 0.000 0.808 287 S HN 0.509 nan 8.310 nan 0.000 0.478 288 A N 0.174 122.518 122.820 -0.794 0.000 2.168 288 A HA 0.111 4.431 4.320 -0.000 0.000 0.215 288 A C 2.122 179.490 177.584 -0.360 0.000 1.152 288 A CA 1.445 52.973 52.037 -0.849 0.000 0.716 288 A CB -0.309 18.326 19.000 -0.608 0.000 0.794 288 A HN 0.433 nan 8.150 nan 0.000 0.465 289 S N -2.519 113.018 115.700 -0.271 0.000 2.665 289 S HA 0.401 4.871 4.470 -0.000 0.000 0.240 289 S C 0.251 174.773 174.600 -0.129 0.000 1.081 289 S CA 0.696 58.801 58.200 -0.158 0.000 0.887 289 S CB 0.239 63.359 63.200 -0.132 0.000 0.805 289 S HN 0.494 nan 8.310 nan 0.000 0.486 290 V N 1.694 121.519 119.914 -0.150 0.000 3.178 290 V HA 0.556 4.676 4.120 -0.000 0.000 0.302 290 V C -2.964 173.048 176.094 -0.136 0.000 1.262 290 V CA -2.213 60.015 62.300 -0.120 0.000 1.030 290 V CB 2.054 33.813 31.823 -0.106 0.000 1.074 290 V HN 0.097 nan 8.190 nan 0.000 0.438 291 P HA 0.230 nan 4.420 nan 0.000 0.264 291 P C -1.422 175.782 177.300 -0.159 0.000 1.193 291 P CA 0.350 63.359 63.100 -0.152 0.000 0.763 291 P CB 0.509 32.101 31.700 -0.180 0.000 0.810 292 V N 4.263 124.079 119.914 -0.163 0.000 2.638 292 V HA 0.333 4.453 4.120 -0.000 0.000 0.306 292 V C -0.534 175.462 176.094 -0.163 0.000 1.052 292 V CA -0.522 61.680 62.300 -0.163 0.000 0.885 292 V CB 2.289 34.004 31.823 -0.180 0.000 0.999 292 V HN 0.377 nan 8.190 nan 0.000 0.424 293 D N 3.046 123.357 120.400 -0.148 0.000 2.344 293 D HA 0.561 5.201 4.640 -0.000 0.000 0.239 293 D C -0.533 175.658 176.300 -0.182 0.000 1.064 293 D CA -0.123 53.773 54.000 -0.173 0.000 0.829 293 D CB 2.249 42.966 40.800 -0.139 0.000 1.129 293 D HN 0.255 nan 8.370 nan 0.000 0.506 294 V N 2.802 122.601 119.914 -0.193 0.000 2.483 294 V HA 0.493 4.612 4.120 -0.000 0.000 0.295 294 V C 0.238 176.249 176.094 -0.137 0.000 1.035 294 V CA -0.636 61.565 62.300 -0.164 0.000 0.896 294 V CB 1.493 33.208 31.823 -0.181 0.000 0.986 294 V HN 0.421 nan 8.190 nan 0.000 0.447 295 M N 6.879 126.424 119.600 -0.091 0.000 2.311 295 M HA 0.468 4.948 4.480 -0.000 0.000 0.325 295 M C -2.667 173.627 176.300 -0.010 0.000 1.061 295 M CA -1.780 53.489 55.300 -0.052 0.000 0.957 295 M CB 2.740 35.340 32.600 -0.001 0.000 1.646 295 M HN 0.387 nan 8.290 nan 0.000 0.434 296 P HA 0.221 nan 4.420 nan 0.000 0.272 296 P C -0.613 176.702 177.300 0.024 0.000 1.223 296 P CA 0.034 63.153 63.100 0.032 0.000 0.784 296 P CB 1.243 32.965 31.700 0.036 0.000 0.923 297 G N 0.774 109.592 108.800 0.030 0.000 3.234 297 G HA2 0.191 4.151 3.960 -0.000 0.000 0.159 297 G HA3 0.191 4.151 3.960 -0.000 0.000 0.159 297 G C 0.725 175.641 174.900 0.026 0.000 1.175 297 G CA -0.067 45.049 45.100 0.026 0.000 0.900 297 G HN 0.409 nan 8.290 nan 0.000 0.621 298 E N -0.526 119.712 120.200 0.062 0.000 2.012 298 E HA -0.075 4.275 4.350 -0.000 0.000 0.211 298 E C 0.153 176.873 176.600 0.200 0.000 1.029 298 E CA 1.425 57.912 56.400 0.145 0.000 0.867 298 E CB -0.260 29.535 29.700 0.159 0.000 0.790 298 E HN 0.128 nan 8.360 nan 0.000 0.482 299 F N 1.251 121.142 119.950 -0.098 0.000 2.389 299 F HA 0.311 4.838 4.527 -0.000 0.000 0.327 299 F C -0.733 175.119 175.800 0.088 0.000 1.204 299 F CA -0.791 57.157 58.000 -0.086 0.000 1.209 299 F CB 0.459 39.501 39.000 0.070 0.000 1.460 299 F HN -0.129 nan 8.300 nan 0.000 0.537 300 D N 1.360 121.817 120.400 0.096 0.000 2.228 300 D HA 0.315 4.955 4.640 -0.000 0.000 0.247 300 D C -2.361 173.977 176.300 0.063 0.000 0.995 300 D CA -1.922 52.151 54.000 0.122 0.000 0.903 300 D CB 1.588 42.448 40.800 0.099 0.000 1.205 300 D HN -0.003 nan 8.370 nan 0.000 0.459 301 P HA 0.039 nan 4.420 nan 0.000 0.238 301 P C -0.451 176.885 177.300 0.061 0.000 1.434 301 P CA 0.746 63.880 63.100 0.056 0.000 1.292 301 P CB 0.030 31.749 31.700 0.033 0.000 1.804 302 T N 0.501 115.097 114.554 0.070 0.000 2.654 302 T HA 0.181 4.531 4.350 -0.000 0.000 0.303 302 T C -1.391 173.384 174.700 0.125 0.000 1.656 302 T CA -0.975 61.171 62.100 0.077 0.000 0.971 302 T CB 0.336 69.241 68.868 0.062 0.000 1.811 302 T HN 0.177 nan 8.240 nan 0.000 0.483 303 N N 1.739 120.509 118.700 0.116 0.000 2.479 303 N HA 0.072 4.812 4.740 -0.000 0.000 0.257 303 N C 0.257 175.917 175.510 0.249 0.000 1.232 303 N CA -0.046 53.101 53.050 0.162 0.000 0.920 303 N CB 0.440 38.986 38.487 0.098 0.000 1.105 303 N HN 0.557 nan 8.380 nan 0.000 0.444 304 Y N 0.073 120.335 120.300 -0.064 0.000 2.365 304 Y HA -0.005 4.545 4.550 -0.000 0.000 0.293 304 Y C 2.037 177.946 175.900 0.016 0.000 1.119 304 Y CA 0.123 58.185 58.100 -0.062 0.000 1.203 304 Y CB -0.885 37.508 38.460 -0.111 0.000 1.026 304 Y HN 0.572 nan 8.280 nan 0.000 0.549 305 T N 0.179 114.851 114.554 0.196 0.000 2.649 305 T HA -0.069 4.281 4.350 -0.000 0.000 0.337 305 T C 1.486 176.285 174.700 0.165 0.000 1.070 305 T CA -0.191 61.999 62.100 0.149 0.000 1.052 305 T CB 0.291 69.219 68.868 0.099 0.000 0.994 305 T HN 0.099 nan 8.240 nan 0.000 0.544 306 L N 2.609 123.949 121.223 0.194 0.000 1.988 306 L HA 0.240 4.580 4.340 -0.000 0.000 0.207 306 L C -1.276 175.780 176.870 0.310 0.000 1.071 306 L CA 1.485 56.492 54.840 0.279 0.000 0.744 306 L CB -1.856 40.480 42.059 0.463 0.000 0.893 306 L HN 0.560 nan 8.230 nan 0.000 0.433 307 P HA 0.041 nan 4.420 nan 0.000 0.249 307 P C -0.858 176.561 177.300 0.199 0.000 1.737 307 P CA 0.112 63.417 63.100 0.342 0.000 1.128 307 P CB -0.275 31.635 31.700 0.351 0.000 1.942 308 Q N 2.091 121.983 119.800 0.154 0.000 2.263 308 Q HA 0.007 4.347 4.340 -0.000 0.000 0.289 308 Q C 0.453 176.505 176.000 0.087 0.000 1.061 308 Q CA 0.105 55.970 55.803 0.102 0.000 0.927 308 Q CB 0.380 29.161 28.738 0.071 0.000 1.154 308 Q HN 0.363 nan 8.270 nan 0.000 0.378 309 Q N 2.918 122.762 119.800 0.074 0.000 2.299 309 Q HA 0.297 4.637 4.340 -0.000 0.000 0.246 309 Q C -2.136 173.887 176.000 0.038 0.000 0.935 309 Q CA -2.200 53.638 55.803 0.057 0.000 0.887 309 Q CB 0.001 28.767 28.738 0.047 0.000 1.223 309 Q HN 0.403 nan 8.270 nan 0.000 0.439 310 P HA -0.146 nan 4.420 nan 0.000 0.272 310 P C -0.168 177.150 177.300 0.030 0.000 1.210 310 P CA 0.436 63.543 63.100 0.013 0.000 0.789 310 P CB 0.438 32.134 31.700 -0.006 0.000 0.849 311 L N 0.945 122.207 121.223 0.065 0.000 2.456 311 L HA 0.199 4.539 4.340 -0.000 0.000 0.257 311 L C 1.116 178.022 176.870 0.060 0.000 1.162 311 L CA -0.500 54.395 54.840 0.093 0.000 0.808 311 L CB 0.230 42.409 42.059 0.200 0.000 1.136 311 L HN 0.475 nan 8.230 nan 0.000 0.466 312 H N 2.360 121.393 119.070 -0.061 0.000 2.620 312 H HA 0.155 4.711 4.556 -0.000 0.000 0.313 312 H C -1.918 173.324 175.328 -0.143 0.000 1.075 312 H CA -2.099 53.898 56.048 -0.084 0.000 1.397 312 H CB 1.703 31.410 29.762 -0.091 0.000 1.446 312 H HN 0.257 nan 8.280 nan 0.000 0.493 313 P HA -0.207 nan 4.420 nan 0.000 0.218 313 P C 1.630 178.987 177.300 0.094 0.000 1.146 313 P CA 1.485 64.674 63.100 0.149 0.000 0.820 313 P CB -0.157 31.611 31.700 0.113 0.000 0.778 314 C N -2.919 116.497 119.300 0.193 0.000 2.421 314 C HA -0.020 4.440 4.460 -0.000 0.000 0.296 314 C C 2.208 177.059 174.990 -0.232 0.000 1.470 314 C CA 0.361 59.294 59.018 -0.141 0.000 1.779 314 C CB -2.089 25.346 27.740 -0.508 0.000 1.715 314 C HN 0.146 nan 8.230 nan 0.000 0.564 315 M N -0.730 118.637 119.600 -0.388 0.000 2.429 315 M HA 0.268 4.748 4.480 -0.000 0.000 0.265 315 M C -0.087 175.863 176.300 -0.584 0.000 1.120 315 M CA 0.971 55.883 55.300 -0.647 0.000 1.173 315 M CB -0.035 31.848 32.600 -1.195 0.000 1.343 315 M HN 0.275 nan 8.290 nan 0.000 0.464 316 F N -0.025 119.941 119.950 0.026 0.000 2.334 316 F HA 0.360 4.887 4.527 -0.000 0.000 0.343 316 F C -2.059 173.754 175.800 0.021 0.000 1.136 316 F CA -2.970 55.040 58.000 0.017 0.000 1.237 316 F CB -0.720 38.287 39.000 0.011 0.000 1.525 316 F HN -0.143 nan 8.300 nan 0.000 0.528 317 P HA -0.174 nan 4.420 nan 0.000 0.210 317 P C 2.074 179.432 177.300 0.096 0.000 1.189 317 P CA 1.444 64.589 63.100 0.075 0.000 0.920 317 P CB 0.379 32.102 31.700 0.039 0.000 0.782 318 L N -0.987 120.297 121.223 0.100 0.000 1.991 318 L HA -0.308 4.032 4.340 -0.000 0.000 0.221 318 L C 2.504 179.458 176.870 0.141 0.000 1.079 318 L CA 2.232 57.133 54.840 0.101 0.000 0.778 318 L CB -1.437 40.675 42.059 0.087 0.000 0.893 318 L HN -0.009 nan 8.230 nan 0.000 0.437 319 A N 0.113 123.024 122.820 0.151 0.000 1.855 319 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 319 A C 2.355 180.048 177.584 0.182 0.000 1.191 319 A CA 2.255 54.383 52.037 0.152 0.000 0.613 319 A CB -1.231 17.798 19.000 0.048 0.000 0.829 319 A HN 0.555 nan 8.150 nan 0.000 0.442 320 T N -1.359 113.292 114.554 0.163 0.000 2.896 320 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 320 T C 1.634 176.379 174.700 0.074 0.000 1.104 320 T CA 1.617 63.791 62.100 0.124 0.000 1.115 320 T CB -0.656 68.284 68.868 0.121 0.000 0.843 320 T HN 0.678 nan 8.240 nan 0.000 0.523 321 A N -0.075 122.778 122.820 0.055 0.000 2.067 321 A HA 0.177 4.497 4.320 -0.000 0.000 0.219 321 A C 0.578 178.042 177.584 -0.200 0.000 1.158 321 A CA 0.345 52.334 52.037 -0.080 0.000 0.661 321 A CB -0.624 18.296 19.000 -0.134 0.000 0.801 321 A HN 0.645 nan 8.150 nan 0.000 0.452 322 Y N 0.027 120.320 120.300 -0.011 0.000 2.323 322 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 322 Y C 1.712 177.595 175.900 -0.028 0.000 1.092 322 Y CA 0.053 58.139 58.100 -0.023 0.000 1.150 322 Y CB 1.390 39.828 38.460 -0.036 0.000 1.200 322 Y HN 0.224 nan 8.280 nan 0.000 0.472 323 S N -1.375 114.389 115.700 0.107 0.000 2.555 323 S HA -0.141 4.329 4.470 -0.000 0.000 0.230 323 S C 1.548 176.171 174.600 0.038 0.000 0.978 323 S CA 1.036 59.267 58.200 0.050 0.000 0.934 323 S CB -0.676 62.540 63.200 0.026 0.000 0.766 323 S HN 0.855 nan 8.310 nan 0.000 0.533 324 T N -0.590 114.005 114.554 0.068 0.000 3.054 324 T HA 0.255 4.605 4.350 -0.000 0.000 0.259 324 T C 0.548 175.215 174.700 -0.055 0.000 1.092 324 T CA -0.300 61.790 62.100 -0.017 0.000 1.121 324 T CB -0.514 68.332 68.868 -0.037 0.000 0.912 324 T HN 0.308 nan 8.240 nan 0.000 0.489 325 L N 1.923 123.140 121.223 -0.011 0.000 2.452 325 L HA 0.477 4.817 4.340 -0.000 0.000 0.267 325 L C -0.273 176.568 176.870 -0.047 0.000 1.188 325 L CA 0.073 54.886 54.840 -0.046 0.000 0.821 325 L CB 0.736 42.794 42.059 -0.003 0.000 1.102 325 L HN 0.452 nan 8.230 nan 0.000 0.470 326 Q N 4.434 124.188 119.800 -0.075 0.000 2.380 326 Q HA 0.345 4.685 4.340 -0.000 0.000 0.245 326 Q C -2.128 173.820 176.000 -0.086 0.000 0.893 326 Q CA -0.508 55.254 55.803 -0.068 0.000 0.922 326 Q CB 1.064 29.746 28.738 -0.093 0.000 1.432 326 Q HN 0.741 nan 8.270 nan 0.000 0.434 327 L N 5.085 126.283 121.223 -0.041 0.000 2.282 327 L HA 0.430 4.770 4.340 -0.000 0.000 0.287 327 L C 0.520 177.337 176.870 -0.088 0.000 1.075 327 L CA -0.759 54.059 54.840 -0.037 0.000 0.839 327 L CB 0.311 42.402 42.059 0.054 0.000 1.219 327 L HN 0.458 nan 8.230 nan 0.000 0.434 328 V N -0.011 119.786 119.914 -0.194 0.000 3.109 328 V HA 0.592 4.712 4.120 -0.000 0.000 0.317 328 V C 0.835 176.833 176.094 -0.160 0.000 1.074 328 V CA -0.598 61.549 62.300 -0.254 0.000 1.033 328 V CB 1.393 32.814 31.823 -0.671 0.000 1.111 328 V HN 0.786 nan 8.190 nan 0.000 0.458 329 T N 0.006 114.502 114.554 -0.097 0.000 2.616 329 T HA 0.041 4.391 4.350 -0.000 0.000 0.327 329 T C 0.869 175.540 174.700 -0.047 0.000 1.049 329 T CA 0.860 62.951 62.100 -0.016 0.000 1.022 329 T CB 0.134 69.037 68.868 0.058 0.000 1.009 329 T HN 0.961 nan 8.240 nan 0.000 0.535 330 N N 1.015 119.704 118.700 -0.018 0.000 2.191 330 N HA 0.101 4.841 4.740 -0.000 0.000 0.193 330 N C -2.090 173.317 175.510 -0.172 0.000 1.053 330 N CA -0.359 52.666 53.050 -0.043 0.000 0.943 330 N CB -1.413 37.078 38.487 0.007 0.000 1.119 330 N HN 0.387 nan 8.380 nan 0.000 0.487 331 P HA -0.074 nan 4.420 nan 0.000 0.255 331 P C -1.088 175.632 177.300 -0.968 0.000 1.173 331 P CA 0.667 63.352 63.100 -0.691 0.000 0.780 331 P CB -0.583 30.616 31.700 -0.835 0.000 0.758 332 Y N 4.396 124.303 120.300 -0.655 0.000 2.341 332 Y HA 0.417 4.967 4.550 -0.000 0.000 0.337 332 Y C -0.257 175.453 175.900 -0.317 0.000 1.014 332 Y CA -0.812 57.042 58.100 -0.409 0.000 1.111 332 Y CB 1.245 39.639 38.460 -0.111 0.000 1.194 332 Y HN 0.350 nan 8.280 nan 0.000 0.462 333 Q N 3.977 123.601 119.800 -0.294 0.000 2.375 333 Q HA 0.892 5.232 4.340 -0.000 0.000 0.271 333 Q C -1.572 174.225 176.000 -0.339 0.000 1.074 333 Q CA -1.245 54.379 55.803 -0.298 0.000 0.808 333 Q CB 2.491 31.230 28.738 0.001 0.000 1.327 333 Q HN 0.877 nan 8.270 nan 0.000 0.441 334 A N 0.894 123.513 122.820 -0.334 0.000 2.583 334 A HA 0.576 4.896 4.320 -0.000 0.000 0.292 334 A C -1.344 176.115 177.584 -0.209 0.000 1.045 334 A CA -0.640 51.198 52.037 -0.333 0.000 0.672 334 A CB 1.695 20.443 19.000 -0.420 0.000 1.283 334 A HN 0.473 nan 8.150 nan 0.000 0.419 335 T N 1.984 116.384 114.554 -0.256 0.000 2.842 335 T HA 0.523 4.873 4.350 -0.000 0.000 0.308 335 T C -0.292 174.365 174.700 -0.072 0.000 1.041 335 T CA 0.103 62.154 62.100 -0.081 0.000 0.964 335 T CB -0.219 68.624 68.868 -0.041 0.000 0.972 335 T HN 0.428 nan 8.240 nan 0.000 0.460 336 I N 2.653 123.229 120.570 0.011 0.000 2.342 336 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 336 I C 0.227 176.384 176.117 0.067 0.000 1.010 336 I CA -0.557 60.770 61.300 0.046 0.000 1.308 336 I CB 0.802 38.736 38.000 -0.110 0.000 1.400 336 I HN 0.540 nan 8.210 nan 0.000 0.488 337 D N 5.661 126.105 120.400 0.073 0.000 2.713 337 D HA -0.219 4.421 4.640 -0.000 0.000 0.231 337 D C 1.153 177.477 176.300 0.041 0.000 1.173 337 D CA 1.663 55.698 54.000 0.058 0.000 0.628 337 D CB -0.843 39.991 40.800 0.057 0.000 1.033 337 D HN 1.132 nan 8.370 nan 0.000 0.419 338 G N -2.403 106.420 108.800 0.039 0.000 2.159 338 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 338 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 338 G C 0.273 175.171 174.900 -0.003 0.000 0.977 338 G CA 0.193 45.303 45.100 0.017 0.000 0.652 338 G HN 0.584 nan 8.290 nan 0.000 0.531 339 V N 1.091 121.041 119.914 0.060 0.000 2.409 339 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 339 V C 0.845 177.135 176.094 0.327 0.000 1.020 339 V CA -0.901 61.450 62.300 0.086 0.000 0.848 339 V CB 1.560 33.485 31.823 0.170 0.000 0.990 339 V HN 0.335 nan 8.190 nan 0.000 0.430 340 R N 3.660 124.465 120.500 0.509 0.000 2.288 340 R HA 0.357 4.697 4.340 -0.000 0.000 0.330 340 R C -1.081 175.397 176.300 0.297 0.000 1.069 340 R CA 0.036 56.351 56.100 0.359 0.000 0.941 340 R CB 0.285 30.710 30.300 0.208 0.000 0.998 340 R HN 0.476 nan 8.270 nan 0.000 0.452 341 F N 3.147 123.095 119.950 -0.004 0.000 2.432 341 F HA 0.492 5.018 4.527 -0.000 0.000 0.329 341 F C -0.155 175.537 175.800 -0.180 0.000 1.076 341 F CA -0.894 57.086 58.000 -0.034 0.000 1.018 341 F CB 1.433 40.431 39.000 -0.004 0.000 1.201 341 F HN 0.227 nan 8.300 nan 0.000 0.489 342 L N 1.844 123.007 121.223 -0.100 0.000 2.588 342 L HA 0.821 5.161 4.340 -0.000 0.000 0.263 342 L C -0.947 175.406 176.870 -0.862 0.000 0.935 342 L CA -0.060 54.584 54.840 -0.326 0.000 0.891 342 L CB 1.736 43.763 42.059 -0.054 0.000 1.318 342 L HN 0.650 nan 8.230 nan 0.000 0.409 343 G N 1.224 109.257 108.800 -1.278 0.000 2.623 343 G HA2 0.656 4.616 3.960 -0.000 0.000 0.290 343 G HA3 0.656 4.616 3.960 -0.000 0.000 0.290 343 G C -1.315 173.055 174.900 -0.883 0.000 1.437 343 G CA 0.108 44.014 45.100 -1.990 0.000 0.798 343 G HN 0.871 nan 8.290 nan 0.000 0.488 344 T N -2.748 111.533 114.554 -0.454 0.000 2.907 344 T HA 0.606 4.956 4.350 -0.000 0.000 0.290 344 T C 1.052 175.797 174.700 0.076 0.000 1.066 344 T CA 0.403 62.411 62.100 -0.154 0.000 1.012 344 T CB 1.541 70.302 68.868 -0.179 0.000 1.184 344 T HN 1.214 nan 8.240 nan 0.000 0.522 345 S N -0.472 115.262 115.700 0.058 0.000 2.754 345 S HA 0.491 4.961 4.470 -0.000 0.000 0.223 345 S C 1.624 176.242 174.600 0.030 0.000 0.951 345 S CA 0.146 58.388 58.200 0.069 0.000 0.954 345 S CB -0.787 62.439 63.200 0.043 0.000 0.780 345 S HN 1.863 nan 8.310 nan 0.000 0.509 346 G N 1.393 110.202 108.800 0.016 0.000 2.784 346 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.204 346 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.204 346 G C 0.779 175.687 174.900 0.014 0.000 1.300 346 G CA 0.101 45.201 45.100 0.000 0.000 0.863 346 G HN 0.405 nan 8.290 nan 0.000 0.541 347 Q N 1.501 121.315 119.800 0.023 0.000 2.094 347 Q HA -0.329 4.011 4.340 -0.000 0.000 0.217 347 Q C 2.435 178.475 176.000 0.066 0.000 1.046 347 Q CA 3.361 59.192 55.803 0.047 0.000 0.911 347 Q CB -0.633 28.144 28.738 0.064 0.000 1.038 347 Q HN 0.845 nan 8.270 nan 0.000 0.422 348 N N 0.271 119.013 118.700 0.071 0.000 2.049 348 N HA -0.195 4.545 4.740 -0.000 0.000 0.198 348 N C 1.661 177.250 175.510 0.132 0.000 1.030 348 N CA 2.242 55.359 53.050 0.111 0.000 0.870 348 N CB -1.041 37.504 38.487 0.097 0.000 1.045 348 N HN 0.229 nan 8.380 nan 0.000 0.434 349 V N 0.932 120.921 119.914 0.125 0.000 2.427 349 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 349 V C 2.515 178.711 176.094 0.171 0.000 1.051 349 V CA 1.865 64.266 62.300 0.169 0.000 1.048 349 V CB -0.807 31.125 31.823 0.181 0.000 0.666 349 V HN 0.386 nan 8.190 nan 0.000 0.456 350 S N -0.129 115.636 115.700 0.108 0.000 2.387 350 S HA -0.236 4.234 4.470 -0.000 0.000 0.230 350 S C 1.663 176.309 174.600 0.077 0.000 1.035 350 S CA 1.715 59.955 58.200 0.067 0.000 1.014 350 S CB -0.336 62.871 63.200 0.013 0.000 0.836 350 S HN 0.655 nan 8.310 nan 0.000 0.466 351 D N 1.239 121.666 120.400 0.046 0.000 2.106 351 D HA 0.083 4.723 4.640 -0.000 0.000 0.203 351 D C 1.998 178.249 176.300 -0.081 0.000 0.977 351 D CA 0.680 54.642 54.000 -0.063 0.000 0.844 351 D CB -0.403 40.356 40.800 -0.067 0.000 1.002 351 D HN 0.304 nan 8.370 nan 0.000 0.461 352 I N 0.977 121.553 120.570 0.010 0.000 2.229 352 I HA -0.313 3.857 4.170 -0.000 0.000 0.250 352 I C 2.367 178.459 176.117 -0.041 0.000 1.096 352 I CA 0.981 62.267 61.300 -0.023 0.000 1.358 352 I CB -0.302 37.720 38.000 0.037 0.000 1.047 352 I HN -0.064 nan 8.210 nan 0.000 0.422 353 F N 1.988 121.872 119.950 -0.110 0.000 2.075 353 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 353 F C 2.656 178.381 175.800 -0.125 0.000 1.113 353 F CA 1.567 59.490 58.000 -0.128 0.000 1.218 353 F CB -0.361 38.584 39.000 -0.092 0.000 0.984 353 F HN -0.172 nan 8.300 nan 0.000 0.472 354 R N -1.141 119.477 120.500 0.197 0.000 2.139 354 R HA -0.211 4.129 4.340 -0.000 0.000 0.243 354 R C 1.237 177.670 176.300 0.223 0.000 1.145 354 R CA 1.742 57.879 56.100 0.062 0.000 0.976 354 R CB -0.498 29.744 30.300 -0.098 0.000 0.866 354 R HN 0.351 nan 8.270 nan 0.000 0.449 355 Y N -1.192 119.063 120.300 -0.076 0.000 2.531 355 Y HA 0.363 4.913 4.550 -0.000 0.000 0.249 355 Y C 0.574 176.378 175.900 -0.160 0.000 1.168 355 Y CA -0.805 57.252 58.100 -0.071 0.000 1.226 355 Y CB -0.020 38.447 38.460 0.012 0.000 1.177 355 Y HN -0.098 nan 8.280 nan 0.000 0.527 356 S N -1.236 114.389 115.700 -0.124 0.000 2.759 356 S HA 0.457 4.927 4.470 -0.000 0.000 0.310 356 S C 1.117 175.518 174.600 -0.332 0.000 1.123 356 S CA -0.090 57.959 58.200 -0.251 0.000 0.959 356 S CB 1.897 64.877 63.200 -0.367 0.000 1.172 356 S HN 0.017 nan 8.310 nan 0.000 0.539 357 S N 0.525 116.046 115.700 -0.299 0.000 2.497 357 S HA 0.333 4.803 4.470 -0.000 0.000 0.218 357 S C 0.614 175.019 174.600 -0.325 0.000 1.023 357 S CA -0.172 57.857 58.200 -0.285 0.000 0.913 357 S CB -0.481 62.615 63.200 -0.173 0.000 0.800 357 S HN 0.716 nan 8.310 nan 0.000 0.505 358 M N 2.294 121.701 119.600 -0.322 0.000 2.240 358 M HA -0.001 4.479 4.480 -0.000 0.000 0.346 358 M C 1.047 177.156 176.300 -0.319 0.000 1.236 358 M CA 0.395 55.534 55.300 -0.268 0.000 0.986 358 M CB 0.429 32.873 32.600 -0.261 0.000 1.786 358 M HN 0.237 nan 8.290 nan 0.000 0.457 359 E N 1.495 121.581 120.200 -0.190 0.000 2.152 359 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 359 E C -0.144 176.405 176.600 -0.086 0.000 0.934 359 E CA 0.562 56.892 56.400 -0.116 0.000 0.869 359 E CB -0.067 29.602 29.700 -0.052 0.000 0.842 359 E HN 0.689 nan 8.360 nan 0.000 0.472 360 D N 1.171 121.534 120.400 -0.062 0.000 2.382 360 D HA -0.043 4.597 4.640 -0.000 0.000 0.259 360 D C 1.161 177.445 176.300 -0.025 0.000 1.224 360 D CA 0.260 54.245 54.000 -0.025 0.000 0.894 360 D CB 0.414 41.222 40.800 0.014 0.000 1.127 360 D HN 0.070 nan 8.370 nan 0.000 0.487 361 H N 3.135 122.255 119.070 0.083 0.000 2.352 361 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 361 H C 1.868 177.227 175.328 0.053 0.000 1.097 361 H CA 0.869 56.962 56.048 0.075 0.000 1.311 361 H CB -0.041 29.737 29.762 0.026 0.000 1.377 361 H HN 0.421 nan 8.280 nan 0.000 0.504 362 L N 1.649 122.958 121.223 0.143 0.000 2.129 362 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 362 L C 2.403 179.321 176.870 0.080 0.000 1.087 362 L CA 1.833 56.715 54.840 0.068 0.000 0.757 362 L CB -0.579 41.484 42.059 0.007 0.000 0.896 362 L HN 0.285 nan 8.230 nan 0.000 0.434 363 E N -0.296 119.949 120.200 0.075 0.000 2.016 363 E HA -0.203 4.147 4.350 -0.000 0.000 0.190 363 E C 2.264 178.945 176.600 0.136 0.000 0.985 363 E CA 1.549 57.996 56.400 0.079 0.000 0.802 363 E CB -0.308 29.417 29.700 0.042 0.000 0.762 363 E HN 0.587 nan 8.360 nan 0.000 0.448 364 I N 1.111 121.751 120.570 0.118 0.000 2.236 364 I HA -0.295 3.875 4.170 -0.000 0.000 0.249 364 I C 2.629 178.915 176.117 0.281 0.000 1.102 364 I CA 0.688 62.091 61.300 0.171 0.000 1.365 364 I CB -0.370 37.705 38.000 0.126 0.000 1.051 364 I HN 0.287 nan 8.210 nan 0.000 0.420 365 L N 0.936 122.297 121.223 0.230 0.000 2.005 365 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 365 L C 2.556 179.574 176.870 0.246 0.000 1.072 365 L CA 1.944 56.948 54.840 0.273 0.000 0.744 365 L CB -0.636 41.547 42.059 0.206 0.000 0.895 365 L HN 0.208 nan 8.230 nan 0.000 0.433 366 E N -1.522 118.768 120.200 0.150 0.000 2.118 366 E HA -0.306 4.044 4.350 -0.000 0.000 0.195 366 E C 1.984 178.578 176.600 -0.010 0.000 0.992 366 E CA 1.412 57.834 56.400 0.036 0.000 0.804 366 E CB -0.396 29.319 29.700 0.025 0.000 0.741 366 E HN 0.603 nan 8.360 nan 0.000 0.458 367 W N 1.661 122.919 121.300 -0.071 0.000 2.311 367 W HA -0.301 4.358 4.660 -0.000 0.000 0.326 367 W C 2.689 179.118 176.519 -0.149 0.000 1.239 367 W CA 3.400 60.672 57.345 -0.120 0.000 1.258 367 W CB -1.049 28.363 29.460 -0.080 0.000 1.165 367 W HN 0.192 nan 8.180 nan 0.000 0.466 368 T N -0.894 113.663 114.554 0.005 0.000 2.737 368 T HA -0.312 4.038 4.350 -0.000 0.000 0.269 368 T C 1.861 176.332 174.700 -0.382 0.000 1.040 368 T CA 1.746 63.776 62.100 -0.118 0.000 1.142 368 T CB -0.961 68.049 68.868 0.236 0.000 0.861 368 T HN 0.150 nan 8.240 nan 0.000 0.456 369 L N 0.533 121.457 121.223 -0.498 0.000 2.201 369 L HA 0.121 4.461 4.340 -0.000 0.000 0.212 369 L C 2.730 179.159 176.870 -0.735 0.000 1.105 369 L CA 1.379 55.690 54.840 -0.883 0.000 0.775 369 L CB -0.367 41.223 42.059 -0.782 0.000 0.913 369 L HN 0.132 nan 8.230 nan 0.000 0.440 370 R N -1.375 118.776 120.500 -0.582 0.000 2.200 370 R HA 0.148 4.488 4.340 -0.000 0.000 0.208 370 R C 1.429 177.386 176.300 -0.571 0.000 1.033 370 R CA 0.671 56.457 56.100 -0.524 0.000 1.000 370 R CB -0.321 29.692 30.300 -0.479 0.000 0.906 370 R HN 0.247 nan 8.270 nan 0.000 0.462 371 V N 1.231 120.711 119.914 -0.723 0.000 3.421 371 V HA 0.156 4.276 4.120 -0.000 0.000 0.316 371 V C 0.810 176.763 176.094 -0.235 0.000 1.347 371 V CA -0.232 61.706 62.300 -0.603 0.000 1.183 371 V CB -0.718 30.459 31.823 -1.076 0.000 1.092 371 V HN 0.274 nan 8.190 nan 0.000 0.433 372 R N 1.519 121.847 120.500 -0.286 0.000 3.460 372 R HA -0.231 4.109 4.340 -0.000 0.000 0.254 372 R C 0.000 176.516 176.300 0.361 0.000 1.028 372 R CA 0.762 56.806 56.100 -0.092 0.000 0.688 372 R CB -1.452 28.817 30.300 -0.052 0.000 1.062 372 R HN 0.706 nan 8.270 nan 0.000 0.463 373 H N -0.519 118.727 119.070 0.294 0.000 3.287 373 H HA 0.129 4.685 4.556 -0.000 0.000 0.330 373 H C 1.224 176.774 175.328 0.369 0.000 1.064 373 H CA -0.425 55.837 56.048 0.357 0.000 1.544 373 H CB 0.621 30.505 29.762 0.203 0.000 1.918 373 H HN 0.034 nan 8.280 nan 0.000 0.477 374 I N 2.403 123.063 120.570 0.149 0.000 2.229 374 I HA -0.255 3.915 4.170 -0.000 0.000 0.250 374 I C 0.784 177.027 176.117 0.210 0.000 1.096 374 I CA 1.666 63.018 61.300 0.087 0.000 1.358 374 I CB -0.055 37.691 38.000 -0.424 0.000 1.047 374 I HN 0.308 nan 8.210 nan 0.000 0.422 375 S N -0.503 115.452 115.700 0.425 0.000 2.689 375 S HA 0.225 4.695 4.470 -0.000 0.000 0.151 375 S C -1.800 173.215 174.600 0.692 0.000 1.155 375 S CA -0.950 57.547 58.200 0.496 0.000 1.144 375 S CB 0.587 63.990 63.200 0.337 0.000 1.526 375 S HN -0.072 nan 8.310 nan 0.000 0.419 376 P HA -0.097 nan 4.420 nan 0.000 0.219 376 P C 1.358 178.768 177.300 0.182 0.000 1.146 376 P CA 1.121 64.227 63.100 0.010 0.000 0.808 376 P CB -0.220 31.506 31.700 0.043 0.000 0.779 377 T N -1.653 113.047 114.554 0.243 0.000 3.228 377 T HA 0.177 4.527 4.350 -0.000 0.000 0.261 377 T C 0.673 175.501 174.700 0.213 0.000 1.171 377 T CA 0.058 62.272 62.100 0.189 0.000 1.056 377 T CB -0.855 68.081 68.868 0.113 0.000 0.938 377 T HN 0.088 nan 8.240 nan 0.000 0.539 378 A N 1.664 124.644 122.820 0.266 0.000 2.325 378 A HA 0.762 5.082 4.320 -0.000 0.000 0.333 378 A C -2.625 175.031 177.584 0.120 0.000 1.155 378 A CA -1.846 50.326 52.037 0.225 0.000 0.814 378 A CB 0.888 20.073 19.000 0.309 0.000 1.206 378 A HN 0.311 nan 8.150 nan 0.000 0.482 379 P HA 0.282 nan 4.420 nan 0.000 0.274 379 P C -0.985 176.163 177.300 -0.253 0.000 1.237 379 P CA -0.149 62.911 63.100 -0.066 0.000 0.793 379 P CB 0.511 32.237 31.700 0.042 0.000 0.977 380 D N 0.325 120.490 120.400 -0.393 0.000 2.304 380 D HA 0.469 5.109 4.640 -0.000 0.000 0.250 380 D C 0.213 176.405 176.300 -0.179 0.000 1.107 380 D CA 0.516 54.314 54.000 -0.336 0.000 0.885 380 D CB 0.373 40.944 40.800 -0.382 0.000 1.192 380 D HN 0.397 nan 8.370 nan 0.000 0.436 390 T N 0.358 114.866 114.554 -0.078 0.000 2.807 390 T HA 0.226 4.576 4.350 -0.000 0.000 0.279 390 T C -0.567 174.071 174.700 -0.102 0.000 0.993 390 T CA -0.579 61.479 62.100 -0.070 0.000 0.970 390 T CB 2.130 70.959 68.868 -0.066 0.000 0.950 390 T HN -0.007 nan 8.240 nan 0.000 0.441 391 D N 3.572 123.928 120.400 -0.075 0.000 2.346 391 D HA 0.167 4.806 4.640 -0.000 0.000 0.260 391 D C -1.420 174.801 176.300 -0.131 0.000 1.252 391 D CA -1.941 51.993 54.000 -0.110 0.000 0.895 391 D CB 1.671 42.473 40.800 0.003 0.000 1.097 391 D HN 0.151 nan 8.370 nan 0.000 0.489 392 P HA -0.053 nan 4.420 nan 0.000 0.219 392 P C 1.107 178.373 177.300 -0.057 0.000 1.150 392 P CA 0.767 63.728 63.100 -0.232 0.000 0.814 392 P CB -0.009 31.485 31.700 -0.345 0.000 0.787 393 F N -0.868 118.845 119.950 -0.394 0.000 2.802 393 F HA 0.108 4.635 4.527 -0.000 0.000 0.302 393 F C 0.847 176.253 175.800 -0.656 0.000 1.211 393 F CA -0.347 57.323 58.000 -0.551 0.000 1.431 393 F CB -0.342 38.279 39.000 -0.633 0.000 1.114 393 F HN -0.156 nan 8.300 nan 0.000 0.567 394 I N 0.784 121.248 120.570 -0.178 0.000 2.328 394 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 394 I C -0.447 175.658 176.117 -0.020 0.000 1.012 394 I CA -0.959 60.344 61.300 0.006 0.000 1.195 394 I CB 0.614 38.709 38.000 0.160 0.000 1.350 394 I HN -0.171 nan 8.210 nan 0.000 0.464 395 F N 8.105 128.000 119.950 -0.092 0.000 2.569 395 F HA 0.068 4.595 4.527 -0.000 0.000 0.395 395 F C -1.465 174.266 175.800 -0.115 0.000 1.028 395 F CA -1.210 56.717 58.000 -0.121 0.000 1.158 395 F CB -0.274 38.607 39.000 -0.198 0.000 1.023 395 F HN 0.377 nan 8.300 nan 0.000 0.547 396 P HA -0.022 nan 4.420 nan 0.000 0.217 396 P C -0.138 177.162 177.300 0.001 0.000 1.154 396 P CA 1.092 64.210 63.100 0.030 0.000 0.841 396 P CB 0.488 32.192 31.700 0.007 0.000 0.790 397 E N -2.502 117.697 120.200 -0.001 0.000 2.433 397 E HA 0.354 4.704 4.350 -0.000 0.000 0.273 397 E C -1.307 175.267 176.600 -0.043 0.000 0.950 397 E CA -0.969 55.405 56.400 -0.044 0.000 0.796 397 E CB 2.270 31.942 29.700 -0.046 0.000 1.330 397 E HN -0.182 nan 8.360 nan 0.000 0.455 398 C N 3.094 122.319 119.300 -0.126 0.000 2.307 398 C HA 0.493 4.952 4.460 -0.000 0.000 0.340 398 C C -2.110 172.743 174.990 -0.228 0.000 1.275 398 C CA -1.992 56.922 59.018 -0.173 0.000 1.811 398 C CB -0.050 27.544 27.740 -0.244 0.000 2.372 398 C HN 0.435 nan 8.230 nan 0.000 0.531 399 P HA 0.116 nan 4.420 nan 0.000 0.272 399 P C -0.248 176.874 177.300 -0.295 0.000 1.254 399 P CA 0.419 63.421 63.100 -0.163 0.000 0.795 399 P CB 0.882 32.590 31.700 0.014 0.000 1.022 400 H N -1.832 117.189 119.070 -0.081 0.000 2.506 400 H HA 0.191 4.747 4.556 -0.000 0.000 0.289 400 H C 0.065 175.273 175.328 -0.200 0.000 1.009 400 H CA 0.355 56.331 56.048 -0.121 0.000 1.303 400 H CB 0.488 30.193 29.762 -0.094 0.000 1.453 400 H HN 0.012 nan 8.280 nan 0.000 0.526 401 V N 0.696 120.503 119.914 -0.179 0.000 2.588 401 V HA 0.196 4.316 4.120 -0.000 0.000 0.304 401 V C -1.554 174.443 176.094 -0.162 0.000 1.042 401 V CA -0.978 61.113 62.300 -0.348 0.000 0.877 401 V CB 1.982 33.178 31.823 -1.044 0.000 0.996 401 V HN 0.165 nan 8.190 nan 0.000 0.425 402 Y N 6.877 127.059 120.300 -0.196 0.000 2.327 402 Y HA 0.725 5.275 4.550 -0.000 0.000 0.325 402 Y C -0.829 175.030 175.900 -0.069 0.000 0.999 402 Y CA -1.656 56.344 58.100 -0.166 0.000 1.195 402 Y CB 1.367 39.758 38.460 -0.114 0.000 1.132 402 Y HN 0.649 nan 8.280 nan 0.000 0.455 403 F N 4.160 123.872 119.950 -0.397 0.000 2.572 403 F HA 0.855 5.382 4.527 -0.000 0.000 0.342 403 F C -1.003 174.555 175.800 -0.403 0.000 1.064 403 F CA -2.052 55.764 58.000 -0.307 0.000 1.008 403 F CB 0.803 39.731 39.000 -0.119 0.000 1.303 403 F HN 0.572 nan 8.300 nan 0.000 0.492 404 C N 1.355 120.775 119.300 0.201 0.000 2.888 404 C HA 0.805 5.265 4.460 -0.000 0.000 0.308 404 C C 0.999 176.058 174.990 0.115 0.000 1.213 404 C CA 0.296 59.353 59.018 0.066 0.000 1.461 404 C CB 0.844 28.562 27.740 -0.038 0.000 1.934 404 C HN 1.388 nan 8.230 nan 0.000 0.474 405 G N 2.541 111.382 108.800 0.070 0.000 2.090 405 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.525 405 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.525 405 G C 0.360 175.240 174.900 -0.033 0.000 1.411 405 G CA -0.211 44.905 45.100 0.026 0.000 1.069 405 G HN 0.973 nan 8.290 nan 0.000 0.522 406 N N 1.138 119.803 118.700 -0.057 0.000 3.027 406 N HA 0.067 4.807 4.740 -0.000 0.000 0.309 406 N C -0.097 175.311 175.510 -0.169 0.000 1.222 406 N CA -0.038 52.961 53.050 -0.085 0.000 1.187 406 N CB -0.067 38.377 38.487 -0.072 0.000 1.458 406 N HN 0.187 nan 8.380 nan 0.000 0.535 407 T N 2.038 116.474 114.554 -0.197 0.000 2.903 407 T HA 0.046 4.396 4.350 -0.000 0.000 0.314 407 T C -0.901 173.652 174.700 -0.245 0.000 1.078 407 T CA -0.821 61.070 62.100 -0.349 0.000 1.114 407 T CB 1.119 69.840 68.868 -0.246 0.000 0.987 407 T HN 0.314 nan 8.240 nan 0.000 0.548 408 P HA 0.114 nan 4.420 nan 0.000 0.241 408 P C -0.290 176.980 177.300 -0.050 0.000 1.191 408 P CA 0.148 63.172 63.100 -0.127 0.000 0.771 408 P CB 0.499 32.142 31.700 -0.097 0.000 0.929 409 S N -0.610 115.068 115.700 -0.037 0.000 2.537 409 S HA 0.358 4.827 4.470 -0.000 0.000 0.270 409 S C -0.978 173.651 174.600 0.049 0.000 1.142 409 S CA -0.591 57.628 58.200 0.032 0.000 0.870 409 S CB 0.954 64.186 63.200 0.053 0.000 1.112 409 S HN 0.031 nan 8.310 nan 0.000 0.466 410 F N 2.343 122.289 119.950 -0.008 0.000 2.563 410 F HA 0.523 5.050 4.527 -0.000 0.000 0.363 410 F C 0.602 176.416 175.800 0.023 0.000 1.123 410 F CA 0.610 58.613 58.000 0.005 0.000 1.307 410 F CB 0.150 39.153 39.000 0.006 0.000 1.115 410 F HN 0.613 nan 8.300 nan 0.000 0.592 411 G N 3.050 111.017 108.800 -1.388 0.000 2.746 411 G HA2 0.517 4.477 3.960 -0.000 0.000 0.297 411 G HA3 0.517 4.477 3.960 -0.000 0.000 0.297 411 G C -1.923 172.357 174.900 -1.034 0.000 1.426 411 G CA -0.459 44.070 45.100 -0.950 0.000 0.989 411 G HN 0.907 nan 8.290 nan 0.000 0.520 412 S N 0.251 115.631 115.700 -0.534 0.000 2.535 412 S HA 0.816 5.286 4.470 -0.000 0.000 0.272 412 S C -1.185 173.380 174.600 -0.059 0.000 1.149 412 S CA -0.706 57.364 58.200 -0.217 0.000 0.888 412 S CB 1.960 65.166 63.200 0.009 0.000 1.110 412 S HN 1.238 nan 8.310 nan 0.000 0.463 413 K N 3.567 123.940 120.400 -0.046 0.000 2.598 413 K HA 0.514 4.834 4.320 -0.000 0.000 0.271 413 K C -1.991 174.571 176.600 -0.063 0.000 0.947 413 K CA -0.711 55.557 56.287 -0.031 0.000 0.854 413 K CB 1.060 33.547 32.500 -0.022 0.000 1.401 413 K HN 0.664 nan 8.250 nan 0.000 0.415 414 I N 5.566 126.086 120.570 -0.083 0.000 2.412 414 I HA 0.476 4.646 4.170 -0.000 0.000 0.296 414 I C 0.079 176.142 176.117 -0.090 0.000 0.987 414 I CA -1.076 60.145 61.300 -0.131 0.000 1.180 414 I CB 1.385 39.252 38.000 -0.222 0.000 1.340 414 I HN 0.607 nan 8.210 nan 0.000 0.455 415 I N 3.318 123.831 120.570 -0.095 0.000 3.042 415 I HA 0.663 4.833 4.170 -0.000 0.000 0.310 415 I C -0.960 175.105 176.117 -0.087 0.000 1.117 415 I CA -0.963 60.289 61.300 -0.081 0.000 1.003 415 I CB 2.326 40.273 38.000 -0.088 0.000 1.228 415 I HN 0.498 nan 8.210 nan 0.000 0.443 416 R N 1.956 122.410 120.500 -0.078 0.000 2.919 416 R HA 0.795 5.135 4.340 -0.000 0.000 0.260 416 R C -0.453 175.786 176.300 -0.100 0.000 1.067 416 R CA -0.987 55.067 56.100 -0.077 0.000 1.003 416 R CB 2.033 32.304 30.300 -0.048 0.000 1.192 416 R HN 0.979 nan 8.270 nan 0.000 0.488 417 G N 0.250 108.986 108.800 -0.106 0.000 2.630 417 G HA2 0.429 4.388 3.960 -0.000 0.000 0.296 417 G HA3 0.429 4.388 3.960 -0.000 0.000 0.296 417 G C -2.316 172.515 174.900 -0.115 0.000 1.285 417 G CA -1.474 43.548 45.100 -0.129 0.000 0.958 417 G HN 0.162 nan 8.290 nan 0.000 0.479 418 P HA -0.177 nan 4.420 nan 0.000 0.212 418 P C 0.159 177.398 177.300 -0.100 0.000 1.128 418 P CA 1.302 64.326 63.100 -0.125 0.000 0.961 418 P CB 0.121 31.730 31.700 -0.152 0.000 0.782 419 E N 0.777 120.917 120.200 -0.101 0.000 1.865 419 E HA 0.115 4.465 4.350 -0.000 0.000 0.269 419 E C -0.655 175.901 176.600 -0.075 0.000 1.177 419 E CA -0.165 56.188 56.400 -0.078 0.000 0.932 419 E CB -1.548 28.106 29.700 -0.077 0.000 1.066 419 E HN 0.316 nan 8.360 nan 0.000 0.405 420 D N 2.834 123.196 120.400 -0.062 0.000 6.342 420 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 420 D C -0.547 175.723 176.300 -0.051 0.000 1.340 420 D CA 0.731 54.700 54.000 -0.052 0.000 0.816 420 D CB -0.281 40.498 40.800 -0.034 0.000 1.452 420 D HN 0.307 nan 8.370 nan 0.000 0.840 421 Q N 1.096 120.855 119.800 -0.068 0.000 2.351 421 Q HA 0.728 5.068 4.340 -0.000 0.000 0.273 421 Q C -0.427 175.537 176.000 -0.060 0.000 1.077 421 Q CA -0.919 54.842 55.803 -0.071 0.000 0.843 421 Q CB 2.176 30.844 28.738 -0.117 0.000 1.367 421 Q HN 0.411 nan 8.270 nan 0.000 0.449 422 T N 0.139 114.671 114.554 -0.036 0.000 2.824 422 T HA 0.698 5.048 4.350 -0.000 0.000 0.282 422 T C -0.953 173.713 174.700 -0.057 0.000 0.993 422 T CA -0.677 61.404 62.100 -0.033 0.000 0.967 422 T CB 1.121 70.001 68.868 0.022 0.000 0.960 422 T HN 0.288 nan 8.240 nan 0.000 0.441 423 V N 3.629 123.483 119.914 -0.100 0.000 2.668 423 V HA 0.434 4.554 4.120 -0.000 0.000 0.304 423 V C -1.104 174.918 176.094 -0.120 0.000 1.071 423 V CA -0.952 61.281 62.300 -0.112 0.000 0.894 423 V CB 2.057 33.789 31.823 -0.152 0.000 1.008 423 V HN 0.815 nan 8.190 nan 0.000 0.425 424 L N 6.889 128.040 121.223 -0.120 0.000 2.257 424 L HA 0.636 4.976 4.340 -0.000 0.000 0.290 424 L C -0.659 176.170 176.870 -0.068 0.000 1.044 424 L CA 0.352 55.116 54.840 -0.126 0.000 0.810 424 L CB 0.650 42.609 42.059 -0.166 0.000 1.193 424 L HN 0.528 nan 8.230 nan 0.000 0.425 425 L N 5.761 126.961 121.223 -0.039 0.000 2.360 425 L HA 0.781 5.121 4.340 -0.000 0.000 0.271 425 L C -0.664 176.190 176.870 -0.027 0.000 1.057 425 L CA -1.041 53.808 54.840 0.016 0.000 0.803 425 L CB 1.689 43.771 42.059 0.039 0.000 1.207 425 L HN 0.381 nan 8.230 nan 0.000 0.445 426 V N 0.006 119.910 119.914 -0.015 0.000 2.777 426 V HA 0.348 4.468 4.120 -0.000 0.000 0.306 426 V C -0.302 175.751 176.094 -0.067 0.000 1.112 426 V CA -0.625 61.636 62.300 -0.064 0.000 0.917 426 V CB 2.264 34.105 31.823 0.030 0.000 1.018 426 V HN 0.883 nan 8.190 nan 0.000 0.426 427 T N 0.650 115.090 114.554 -0.191 0.000 2.893 427 T HA 0.573 4.923 4.350 -0.000 0.000 0.324 427 T C -0.489 174.143 174.700 -0.114 0.000 1.082 427 T CA -0.581 61.444 62.100 -0.125 0.000 0.983 427 T CB 0.998 69.789 68.868 -0.129 0.000 1.005 427 T HN 0.327 nan 8.240 nan 0.000 0.475 428 V N 7.853 127.750 119.914 -0.029 0.000 2.381 428 V HA 0.241 4.361 4.120 -0.000 0.000 0.257 428 V C -1.472 174.634 176.094 0.020 0.000 1.057 428 V CA -1.624 60.691 62.300 0.025 0.000 1.013 428 V CB -0.050 31.759 31.823 -0.024 0.000 1.069 428 V HN 0.778 nan 8.190 nan 0.000 0.484 429 P HA -0.090 nan 4.420 nan 0.000 0.270 429 P C -0.419 176.900 177.300 0.030 0.000 1.216 429 P CA -0.015 63.103 63.100 0.030 0.000 0.788 429 P CB 0.691 32.437 31.700 0.076 0.000 0.883 430 D N 0.589 120.987 120.400 -0.003 0.000 2.422 430 D HA 0.035 4.675 4.640 -0.000 0.000 0.227 430 D C 0.965 177.298 176.300 0.056 0.000 1.190 430 D CA -0.463 53.547 54.000 0.016 0.000 0.905 430 D CB -0.791 39.992 40.800 -0.029 0.000 1.034 430 D HN 0.148 nan 8.370 nan 0.000 0.507 431 F N 3.223 123.152 119.950 -0.034 0.000 2.141 431 F HA -0.295 4.232 4.527 -0.000 0.000 0.300 431 F C 2.408 178.188 175.800 -0.034 0.000 1.079 431 F CA 1.883 59.867 58.000 -0.026 0.000 1.264 431 F CB -0.377 38.595 39.000 -0.047 0.000 1.011 431 F HN 0.467 nan 8.300 nan 0.000 0.487 432 S N -0.480 115.326 115.700 0.176 0.000 2.372 432 S HA -0.277 4.193 4.470 -0.000 0.000 0.227 432 S C 1.936 176.537 174.600 0.001 0.000 1.044 432 S CA 1.758 60.011 58.200 0.088 0.000 1.050 432 S CB -0.590 62.627 63.200 0.029 0.000 0.901 432 S HN 0.492 nan 8.310 nan 0.000 0.447 433 A N -0.829 121.969 122.820 -0.036 0.000 2.431 433 A HA 0.316 4.636 4.320 -0.000 0.000 0.239 433 A C 1.889 179.414 177.584 -0.099 0.000 1.230 433 A CA 0.904 52.905 52.037 -0.060 0.000 0.928 433 A CB -0.147 18.826 19.000 -0.045 0.000 1.006 433 A HN 0.664 nan 8.150 nan 0.000 0.520 434 T N -4.089 110.373 114.554 -0.154 0.000 3.026 434 T HA 0.090 4.440 4.350 -0.000 0.000 0.245 434 T C 0.591 175.078 174.700 -0.355 0.000 1.004 434 T CA 0.867 62.856 62.100 -0.184 0.000 1.069 434 T CB -0.247 68.549 68.868 -0.120 0.000 1.005 434 T HN 0.367 nan 8.240 nan 0.000 0.472 435 Q N 1.562 120.915 119.800 -0.744 0.000 2.470 435 Q HA -0.109 4.231 4.340 -0.000 0.000 0.294 435 Q C -0.950 174.539 176.000 -0.852 0.000 1.356 435 Q CA 0.848 55.762 55.803 -1.482 0.000 0.805 435 Q CB -2.615 25.738 28.738 -0.643 0.000 1.157 435 Q HN 0.705 nan 8.270 nan 0.000 0.431 436 T N -0.925 113.301 114.554 -0.547 0.000 2.896 436 T HA 0.887 5.237 4.350 -0.000 0.000 0.297 436 T C -0.781 174.038 174.700 0.198 0.000 1.108 436 T CA -0.156 61.908 62.100 -0.060 0.000 1.004 436 T CB 2.276 71.103 68.868 -0.068 0.000 1.159 436 T HN 0.432 nan 8.240 nan 0.000 0.499 437 A N 0.326 123.271 122.820 0.209 0.000 2.606 437 A HA 0.747 5.067 4.320 -0.000 0.000 0.293 437 A C -0.581 177.062 177.584 0.100 0.000 1.082 437 A CA -0.826 51.337 52.037 0.210 0.000 0.685 437 A CB 0.943 20.098 19.000 0.257 0.000 1.284 437 A HN 1.190 nan 8.150 nan 0.000 0.408 438 c N 1.779 120.462 118.600 0.138 0.000 2.364 438 c HA 0.828 5.398 4.570 -0.000 0.000 0.356 438 c C -0.546 173.594 174.090 0.084 0.000 1.201 438 c CA -0.579 55.825 56.329 0.125 0.000 2.227 438 c CB -0.329 42.414 42.510 0.390 0.000 2.387 438 c HN 0.718 nan 8.230 nan 0.000 0.546 439 L N 5.571 126.839 121.223 0.076 0.000 2.342 439 L HA 0.465 4.805 4.340 -0.000 0.000 0.276 439 L C -0.648 176.333 176.870 0.185 0.000 0.997 439 L CA -0.461 54.448 54.840 0.115 0.000 0.838 439 L CB 1.689 43.768 42.059 0.033 0.000 1.224 439 L HN 0.577 nan 8.230 nan 0.000 0.416 440 V N 3.077 123.091 119.914 0.167 0.000 2.383 440 V HA 0.252 4.372 4.120 -0.000 0.000 0.275 440 V C 0.314 176.364 176.094 -0.073 0.000 1.036 440 V CA -0.729 61.627 62.300 0.094 0.000 0.889 440 V CB 1.466 33.391 31.823 0.168 0.000 0.985 440 V HN 0.637 nan 8.190 nan 0.000 0.459 441 N N 4.575 123.104 118.700 -0.286 0.000 2.422 441 N HA 0.260 5.000 4.740 -0.000 0.000 0.264 441 N C 0.705 176.050 175.510 -0.274 0.000 1.063 441 N CA -0.289 52.367 53.050 -0.658 0.000 0.959 441 N CB 1.559 39.594 38.487 -0.754 0.000 1.087 441 N HN 0.655 nan 8.380 nan 0.000 0.483 442 L N 3.515 124.626 121.223 -0.187 0.000 2.478 442 L HA -0.018 4.322 4.340 -0.000 0.000 0.223 442 L C 2.142 178.964 176.870 -0.079 0.000 1.140 442 L CA 0.541 55.350 54.840 -0.052 0.000 0.842 442 L CB -0.167 41.916 42.059 0.039 0.000 0.953 442 L HN 0.580 nan 8.230 nan 0.000 0.452 443 R N -0.233 120.191 120.500 -0.126 0.000 2.297 443 R HA 0.008 4.348 4.340 -0.000 0.000 0.197 443 R C 1.633 177.867 176.300 -0.110 0.000 0.943 443 R CA 1.032 57.068 56.100 -0.107 0.000 1.038 443 R CB 0.072 30.306 30.300 -0.110 0.000 0.957 443 R HN 0.252 nan 8.270 nan 0.000 0.484 444 S N -0.454 115.185 115.700 -0.102 0.000 2.679 444 S HA 0.172 4.642 4.470 -0.000 0.000 0.258 444 S C 0.294 174.932 174.600 0.063 0.000 1.068 444 S CA -0.274 57.906 58.200 -0.034 0.000 1.115 444 S CB 0.260 63.403 63.200 -0.095 0.000 1.078 444 S HN 0.203 nan 8.310 nan 0.000 0.603 445 L N 0.900 122.101 121.223 -0.037 0.000 3.550 445 L HA -0.111 4.229 4.340 -0.000 0.000 0.523 445 L C 0.053 176.865 176.870 -0.098 0.000 1.312 445 L CA 0.880 55.666 54.840 -0.090 0.000 0.864 445 L CB -2.080 39.873 42.059 -0.177 0.000 1.592 445 L HN 0.604 nan 8.230 nan 0.000 0.859 446 A N -0.355 122.435 122.820 -0.050 0.000 2.291 446 A HA 0.716 5.036 4.320 -0.000 0.000 0.311 446 A C 0.040 177.663 177.584 0.065 0.000 1.224 446 A CA -0.324 51.714 52.037 0.001 0.000 0.821 446 A CB 1.231 20.263 19.000 0.053 0.000 1.172 446 A HN 0.354 nan 8.150 nan 0.000 0.494 447 c N 1.742 120.415 118.600 0.121 0.000 2.405 447 c HA 0.760 5.330 4.570 -0.000 0.000 0.365 447 c C 0.140 174.344 174.090 0.189 0.000 1.233 447 c CA -0.003 56.450 56.329 0.206 0.000 2.230 447 c CB 0.849 43.581 42.510 0.371 0.000 2.443 447 c HN 0.907 nan 8.230 nan 0.000 0.556 448 Q N 4.427 124.273 119.800 0.076 0.000 2.295 448 Q HA 0.453 4.793 4.340 -0.000 0.000 0.268 448 Q C -2.910 172.917 176.000 -0.289 0.000 1.010 448 Q CA -1.167 54.589 55.803 -0.078 0.000 0.856 448 Q CB 2.339 31.116 28.738 0.065 0.000 1.349 448 Q HN 0.398 nan 8.270 nan 0.000 0.412 449 P HA 0.325 nan 4.420 nan 0.000 0.276 449 P C -0.903 176.223 177.300 -0.289 0.000 1.244 449 P CA -0.149 62.596 63.100 -0.592 0.000 0.801 449 P CB 0.731 31.958 31.700 -0.789 0.000 1.006 450 I N 0.914 121.353 120.570 -0.218 0.000 2.466 450 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 450 I C -0.469 175.439 176.117 -0.349 0.000 1.026 450 I CA -0.423 60.708 61.300 -0.281 0.000 1.078 450 I CB 1.973 39.843 38.000 -0.217 0.000 1.249 450 I HN 0.170 nan 8.210 nan 0.000 0.429 451 S N 5.748 121.141 115.700 -0.512 0.000 2.519 451 S HA 0.696 5.166 4.470 -0.000 0.000 0.309 451 S C -0.764 173.506 174.600 -0.550 0.000 1.100 451 S CA -0.518 57.449 58.200 -0.388 0.000 1.059 451 S CB 1.248 64.312 63.200 -0.226 0.000 1.008 451 S HN 0.277 nan 8.310 nan 0.000 0.478 452 F N 1.694 121.594 119.950 -0.082 0.000 2.458 452 F HA 0.781 5.308 4.527 -0.000 0.000 0.330 452 F C 0.800 176.561 175.800 -0.065 0.000 1.082 452 F CA -0.549 57.429 58.000 -0.036 0.000 0.995 452 F CB 1.798 40.822 39.000 0.041 0.000 1.170 452 F HN 0.606 nan 8.300 nan 0.000 0.478 453 S N -0.083 115.685 115.700 0.114 0.000 2.565 453 S HA 0.833 5.303 4.470 -0.000 0.000 0.274 453 S C -0.987 173.616 174.600 0.005 0.000 1.144 453 S CA -0.872 57.349 58.200 0.036 0.000 0.849 453 S CB 1.394 64.595 63.200 0.001 0.000 1.103 453 S HN 1.094 nan 8.310 nan 0.000 0.455 454 G N 1.056 109.825 108.800 -0.050 0.000 2.591 454 G HA2 0.631 4.591 3.960 -0.000 0.000 0.306 454 G HA3 0.631 4.591 3.960 -0.000 0.000 0.306 454 G C -0.513 174.292 174.900 -0.157 0.000 1.334 454 G CA -1.005 43.992 45.100 -0.171 0.000 0.981 454 G HN 1.072 nan 8.290 nan 0.000 0.491 455 F N 0.992 120.950 119.950 0.013 0.000 2.595 455 F HA 0.592 5.118 4.527 -0.000 0.000 0.359 455 F C 0.584 176.388 175.800 0.007 0.000 1.147 455 F CA -1.002 57.003 58.000 0.007 0.000 1.341 455 F CB 0.296 39.300 39.000 0.006 0.000 1.104 455 F HN 0.547 nan 8.300 nan 0.000 0.603 456 G N 0.321 109.310 108.800 0.316 0.000 2.568 456 G HA2 0.613 4.573 3.960 -0.000 0.000 0.313 456 G HA3 0.613 4.573 3.960 -0.000 0.000 0.313 456 G C -1.261 173.760 174.900 0.201 0.000 1.227 456 G CA -0.913 44.313 45.100 0.210 0.000 0.979 456 G HN 1.068 nan 8.290 nan 0.000 0.486 457 A N 0.059 122.958 122.820 0.133 0.000 2.505 457 A HA 0.528 4.848 4.320 -0.000 0.000 0.271 457 A C 0.397 178.009 177.584 0.046 0.000 1.112 457 A CA 0.680 52.765 52.037 0.079 0.000 0.781 457 A CB -0.247 18.787 19.000 0.058 0.000 1.059 457 A HN 0.766 nan 8.150 nan 0.000 0.508 458 E N 0.000 120.213 120.200 0.021 0.000 2.725 458 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 458 E CA 0.000 56.405 56.400 0.008 0.000 0.976 458 E CB 0.000 29.712 29.700 0.020 0.000 0.812 458 E HN 0.000 nan 8.360 nan 0.000 0.440