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 2p9e_1_B DATA FIRST_RESID 7 DATA SEQUENCE EKDKIKFLLV EGVHQKALES LRAAGYTNIE FHKGALDDEQ LKESIRDAHF DATA SEQUENCE IGLRSRTHLT EDVINAAEKL VAIGAFAIGT NQVDLDAAAK RGIPVFNAPF DATA SEQUENCE SNTRSVAELV IGELLLLLRG VPEANAKAHR GVWNKLAAGS FEARGKKLGI DATA SEQUENCE IGYGHIGTQL GILAESLGMY VYFYDIENKL PLGNATQVQH LSDLLNMSDV DATA SEQUENCE VSLHVPENPS TKNMMGAKEI SLMKPGSLLI NASRGTVVDI PALADALASK DATA SEQUENCE HLAGAAIDVF PTEPATNSDP FTSPLAEFDN VLLTPHIGGS TQEAQENIGL DATA SEQUENCE EVAGKLIKYS DNGSTLSAVN FPEVSLPLHV GRRLMHIHEN RPGVLTALNK DATA SEQUENCE IFAEQGVNIA AQYLQTSAQM GYVVIDIEAD EDVAEKALQA MKAIPGTIRA DATA SEQUENCE RLLY 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.605 176.600 0.008 0.000 1.382 7 E CA 0.000 56.408 56.400 0.013 0.000 0.976 7 E CB 0.000 29.718 29.700 0.029 0.000 0.812 8 K N 0.577 120.954 120.400 -0.039 0.000 2.211 8 K HA -0.121 4.198 4.320 -0.001 0.000 0.204 8 K C 0.382 176.974 176.600 -0.012 0.000 1.047 8 K CA 1.701 57.933 56.287 -0.091 0.000 0.935 8 K CB -0.054 32.214 32.500 -0.387 0.000 0.728 8 K HN 0.312 nan 8.250 nan 0.000 0.452 9 D N -0.493 119.895 120.400 -0.019 0.000 2.328 9 D HA -0.041 4.599 4.640 -0.001 0.000 0.221 9 D C 0.440 176.769 176.300 0.047 0.000 1.072 9 D CA 0.251 54.265 54.000 0.024 0.000 0.850 9 D CB 0.189 40.985 40.800 -0.006 0.000 0.922 9 D HN 0.029 nan 8.370 nan 0.000 0.516 10 K N 0.354 120.774 120.400 0.033 0.000 2.387 10 K HA 0.238 4.558 4.320 -0.001 0.000 0.198 10 K C 0.093 176.655 176.600 -0.064 0.000 1.022 10 K CA -0.167 56.134 56.287 0.023 0.000 1.128 10 K CB 0.830 33.347 32.500 0.028 0.000 0.853 10 K HN 0.246 nan 8.250 nan 0.000 0.523 11 I N 2.476 123.025 120.570 -0.035 0.000 2.337 11 I HA 0.102 4.272 4.170 -0.001 0.000 0.285 11 I C -0.122 176.073 176.117 0.130 0.000 1.041 11 I CA -0.530 60.637 61.300 -0.223 0.000 1.199 11 I CB 0.904 38.933 38.000 0.048 0.000 1.370 11 I HN -0.072 nan 8.210 nan 0.000 0.470 12 K N 6.839 127.285 120.400 0.078 0.000 2.258 12 K HA 0.377 4.697 4.320 -0.001 0.000 0.284 12 K C -1.241 175.480 176.600 0.203 0.000 1.051 12 K CA -0.373 56.064 56.287 0.251 0.000 0.923 12 K CB 0.680 33.314 32.500 0.224 0.000 1.046 12 K HN 0.226 nan 8.250 nan 0.000 0.474 13 F N 4.420 124.504 119.950 0.224 0.000 2.410 13 F HA 0.257 4.783 4.527 -0.000 0.000 0.349 13 F C 0.067 175.972 175.800 0.175 0.000 1.117 13 F CA -0.913 57.219 58.000 0.219 0.000 1.104 13 F CB 1.038 40.111 39.000 0.121 0.000 1.122 13 F HN 0.374 nan 8.300 nan 0.000 0.483 14 L N 5.970 127.352 121.223 0.264 0.000 2.262 14 L HA 0.511 4.851 4.340 -0.001 0.000 0.288 14 L C -1.230 175.780 176.870 0.233 0.000 1.035 14 L CA -0.195 54.782 54.840 0.229 0.000 0.820 14 L CB 0.273 42.426 42.059 0.156 0.000 1.204 14 L HN 0.454 nan 8.230 nan 0.000 0.424 15 L N 6.796 128.176 121.223 0.262 0.000 2.280 15 L HA 0.626 4.965 4.340 -0.001 0.000 0.287 15 L C -0.191 176.833 176.870 0.255 0.000 1.023 15 L CA -0.862 54.119 54.840 0.234 0.000 0.819 15 L CB 1.456 43.656 42.059 0.235 0.000 1.212 15 L HN 0.479 nan 8.230 nan 0.000 0.420 16 V N -0.699 119.298 119.914 0.139 0.000 3.096 16 V HA 0.536 4.656 4.120 -0.001 0.000 0.319 16 V C 0.402 176.522 176.094 0.044 0.000 1.103 16 V CA -0.697 61.648 62.300 0.075 0.000 1.016 16 V CB 1.506 33.347 31.823 0.031 0.000 1.090 16 V HN 0.880 nan 8.190 nan 0.000 0.449 17 E N 0.535 120.733 120.200 -0.003 0.000 3.070 17 E HA -0.193 4.157 4.350 -0.001 0.000 0.285 17 E C 0.970 177.587 176.600 0.027 0.000 0.972 17 E CA 0.653 57.055 56.400 0.003 0.000 0.915 17 E CB -1.562 28.151 29.700 0.022 0.000 1.466 17 E HN 2.096 nan 8.360 nan 0.000 0.432 18 G N -0.206 108.613 108.800 0.033 0.000 2.225 18 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.264 18 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.264 18 G C 0.492 175.524 174.900 0.219 0.000 1.060 18 G CA 0.369 45.550 45.100 0.135 0.000 0.833 18 G HN 0.981 nan 8.290 nan 0.000 0.498 19 V N -2.511 117.528 119.914 0.209 0.000 3.367 19 V HA 0.397 4.517 4.120 -0.001 0.000 0.304 19 V C 1.102 177.213 176.094 0.029 0.000 1.131 19 V CA 0.229 62.543 62.300 0.025 0.000 1.233 19 V CB 0.576 32.194 31.823 -0.343 0.000 1.021 19 V HN 0.644 nan 8.190 nan 0.000 0.497 20 H N 1.831 120.880 119.070 -0.035 0.000 2.790 20 H HA 0.153 4.709 4.556 -0.000 0.000 0.358 20 H C 1.249 176.493 175.328 -0.141 0.000 1.103 20 H CA 0.384 56.408 56.048 -0.040 0.000 1.426 20 H CB 0.938 30.704 29.762 0.006 0.000 1.424 20 H HN 0.815 nan 8.280 nan 0.000 0.599 21 Q N 3.215 122.880 119.800 -0.225 0.000 2.096 21 Q HA -0.226 4.114 4.340 -0.001 0.000 0.208 21 Q C 1.817 177.799 176.000 -0.030 0.000 0.993 21 Q CA 1.515 57.211 55.803 -0.178 0.000 0.862 21 Q CB -0.094 28.535 28.738 -0.182 0.000 0.915 21 Q HN 0.668 nan 8.270 nan 0.000 0.416 22 K N 0.149 120.668 120.400 0.199 0.000 2.160 22 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 22 K C 1.992 178.591 176.600 -0.002 0.000 1.047 22 K CA 1.087 57.415 56.287 0.069 0.000 0.930 22 K CB -0.341 32.186 32.500 0.044 0.000 0.720 22 K HN 0.220 nan 8.250 nan 0.000 0.450 23 A N 1.331 124.156 122.820 0.010 0.000 1.873 23 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 23 A C 2.237 179.741 177.584 -0.133 0.000 1.193 23 A CA 1.588 53.617 52.037 -0.013 0.000 0.629 23 A CB -0.636 18.323 19.000 -0.068 0.000 0.826 23 A HN 0.167 nan 8.150 nan 0.000 0.447 24 L N -0.443 120.645 121.223 -0.225 0.000 2.046 24 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 24 L C 2.399 179.163 176.870 -0.176 0.000 1.077 24 L CA 2.099 56.785 54.840 -0.257 0.000 0.747 24 L CB -0.736 41.107 42.059 -0.359 0.000 0.896 24 L HN 0.456 nan 8.230 nan 0.000 0.432 25 E N -0.915 119.208 120.200 -0.128 0.000 2.118 25 E HA -0.197 4.153 4.350 -0.001 0.000 0.195 25 E C 2.277 178.822 176.600 -0.092 0.000 0.992 25 E CA 1.445 57.789 56.400 -0.094 0.000 0.804 25 E CB -0.059 29.604 29.700 -0.061 0.000 0.741 25 E HN 0.389 nan 8.360 nan 0.000 0.458 26 S N 0.439 116.082 115.700 -0.094 0.000 2.371 26 S HA -0.044 4.425 4.470 -0.001 0.000 0.224 26 S C 1.925 176.456 174.600 -0.115 0.000 1.029 26 S CA 0.422 58.569 58.200 -0.089 0.000 0.978 26 S CB -0.105 63.049 63.200 -0.077 0.000 0.833 26 S HN 0.171 nan 8.310 nan 0.000 0.466 27 L N 1.304 122.420 121.223 -0.179 0.000 1.963 27 L HA -0.227 4.112 4.340 -0.001 0.000 0.220 27 L C 2.715 179.499 176.870 -0.143 0.000 1.076 27 L CA 1.679 56.363 54.840 -0.260 0.000 0.772 27 L CB -0.605 41.200 42.059 -0.423 0.000 0.892 27 L HN 0.268 nan 8.230 nan 0.000 0.435 28 R N -0.427 119.990 120.500 -0.138 0.000 2.127 28 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 28 R C 2.242 178.489 176.300 -0.089 0.000 1.134 28 R CA 1.345 57.384 56.100 -0.102 0.000 0.975 28 R CB -0.410 29.834 30.300 -0.093 0.000 0.865 28 R HN 0.442 nan 8.270 nan 0.000 0.447 29 A N 0.877 123.649 122.820 -0.081 0.000 1.975 29 A HA 0.106 4.426 4.320 -0.001 0.000 0.215 29 A C 2.211 179.752 177.584 -0.071 0.000 1.170 29 A CA 0.950 52.945 52.037 -0.071 0.000 0.656 29 A CB -0.245 18.718 19.000 -0.061 0.000 0.821 29 A HN 0.329 nan 8.150 nan 0.000 0.449 30 A N -1.399 121.389 122.820 -0.052 0.000 2.225 30 A HA 0.307 4.626 4.320 -0.001 0.000 0.215 30 A C 1.923 179.420 177.584 -0.146 0.000 1.164 30 A CA 1.569 53.590 52.037 -0.025 0.000 0.710 30 A CB -1.029 18.031 19.000 0.101 0.000 0.780 30 A HN 1.864 nan 8.150 nan 0.000 0.473 31 G N -3.107 105.581 108.800 -0.188 0.000 2.175 31 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.244 31 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.244 31 G C -0.026 174.626 174.900 -0.413 0.000 0.982 31 G CA 0.226 45.138 45.100 -0.314 0.000 0.641 31 G HN 0.498 nan 8.290 nan 0.000 0.527 32 Y N 2.105 122.323 120.300 -0.137 0.000 2.650 32 Y HA 0.455 5.005 4.550 -0.001 0.000 0.343 32 Y C 1.781 177.586 175.900 -0.158 0.000 1.078 32 Y CA 0.365 58.380 58.100 -0.142 0.000 1.356 32 Y CB 0.894 39.153 38.460 -0.334 0.000 1.204 32 Y HN 0.212 nan 8.280 nan 0.000 0.508 33 T N -2.633 111.925 114.554 0.007 0.000 3.069 33 T HA 0.066 4.415 4.350 -0.001 0.000 0.252 33 T C 0.379 175.106 174.700 0.045 0.000 1.053 33 T CA -0.309 61.787 62.100 -0.007 0.000 0.964 33 T CB -0.148 68.704 68.868 -0.028 0.000 1.005 33 T HN 0.290 nan 8.240 nan 0.000 0.532 34 N N 1.833 120.608 118.700 0.124 0.000 2.558 34 N HA 0.368 5.107 4.740 -0.001 0.000 0.233 34 N C -1.280 174.361 175.510 0.218 0.000 1.038 34 N CA -0.833 52.311 53.050 0.156 0.000 0.934 34 N CB -0.152 38.439 38.487 0.174 0.000 1.175 34 N HN 0.458 nan 8.380 nan 0.000 0.512 35 I N 1.685 122.346 120.570 0.152 0.000 2.493 35 I HA 0.168 4.338 4.170 -0.001 0.000 0.279 35 I C -0.057 176.153 176.117 0.156 0.000 1.045 35 I CA -0.637 60.763 61.300 0.166 0.000 1.106 35 I CB 1.659 39.691 38.000 0.052 0.000 1.216 35 I HN 0.334 nan 8.210 nan 0.000 0.459 36 E N 6.611 126.925 120.200 0.190 0.000 2.105 36 E HA 0.228 4.578 4.350 -0.001 0.000 0.285 36 E C -1.615 175.118 176.600 0.221 0.000 1.055 36 E CA -0.447 56.051 56.400 0.164 0.000 0.843 36 E CB 0.968 30.772 29.700 0.173 0.000 1.067 36 E HN 0.382 nan 8.360 nan 0.000 0.398 37 F N 5.355 125.263 119.950 -0.070 0.000 2.469 37 F HA 0.372 4.899 4.527 -0.000 0.000 0.332 37 F C -1.000 174.647 175.800 -0.254 0.000 1.103 37 F CA -0.735 57.213 58.000 -0.087 0.000 0.979 37 F CB 1.077 40.026 39.000 -0.086 0.000 1.137 37 F HN 0.450 nan 8.300 nan 0.000 0.463 38 H N 4.832 123.511 119.070 -0.651 0.000 2.538 38 H HA 0.225 4.781 4.556 -0.001 0.000 0.353 38 H C 0.365 175.195 175.328 -0.829 0.000 1.109 38 H CA -0.531 55.152 56.048 -0.610 0.000 1.192 38 H CB 2.547 32.160 29.762 -0.249 0.000 1.555 38 H HN 0.725 nan 8.280 nan 0.000 0.518 39 K N 2.379 122.483 120.400 -0.493 0.000 2.001 39 K HA -0.001 4.319 4.320 -0.001 0.000 0.208 39 K C 1.112 177.619 176.600 -0.155 0.000 1.048 39 K CA 1.251 57.332 56.287 -0.343 0.000 0.932 39 K CB -0.153 32.220 32.500 -0.211 0.000 0.715 39 K HN 0.661 nan 8.250 nan 0.000 0.437 40 G N -0.779 107.972 108.800 -0.082 0.000 2.606 40 G HA2 0.575 4.535 3.960 -0.001 0.000 0.262 40 G HA3 0.575 4.535 3.960 -0.001 0.000 0.262 40 G C -1.087 173.789 174.900 -0.041 0.000 1.394 40 G CA -0.376 44.697 45.100 -0.046 0.000 1.044 40 G HN 0.437 nan 8.290 nan 0.000 0.553 41 A N -1.242 121.558 122.820 -0.033 0.000 2.279 41 A HA 0.707 5.026 4.320 -0.001 0.000 0.303 41 A C -0.149 177.394 177.584 -0.069 0.000 1.108 41 A CA -0.473 51.541 52.037 -0.039 0.000 0.830 41 A CB 0.477 19.472 19.000 -0.010 0.000 1.106 41 A HN 0.520 nan 8.150 nan 0.000 0.493 42 L N 1.244 122.408 121.223 -0.099 0.000 2.343 42 L HA 0.324 4.664 4.340 -0.001 0.000 0.275 42 L C 0.195 177.023 176.870 -0.070 0.000 1.056 42 L CA -1.018 53.743 54.840 -0.132 0.000 0.804 42 L CB 1.224 43.155 42.059 -0.214 0.000 1.203 42 L HN 0.934 nan 8.230 nan 0.000 0.440 43 D N 0.008 120.370 120.400 -0.063 0.000 2.372 43 D HA -0.045 4.595 4.640 -0.001 0.000 0.243 43 D C 0.406 176.683 176.300 -0.038 0.000 1.297 43 D CA -0.291 53.685 54.000 -0.040 0.000 0.958 43 D CB 0.629 41.409 40.800 -0.034 0.000 1.114 43 D HN 0.404 nan 8.370 nan 0.000 0.496 44 D N -0.437 119.945 120.400 -0.030 0.000 2.097 44 D HA -0.145 4.494 4.640 -0.001 0.000 0.195 44 D C 1.702 177.985 176.300 -0.029 0.000 0.989 44 D CA 1.087 55.071 54.000 -0.027 0.000 0.827 44 D CB -0.079 40.705 40.800 -0.027 0.000 0.966 44 D HN 0.457 nan 8.370 nan 0.000 0.456 45 E N 0.800 120.984 120.200 -0.028 0.000 2.204 45 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 45 E C 2.205 178.787 176.600 -0.030 0.000 0.990 45 E CA 0.616 57.001 56.400 -0.025 0.000 0.821 45 E CB -0.247 29.441 29.700 -0.020 0.000 0.750 45 E HN 0.639 nan 8.360 nan 0.000 0.477 46 Q N 0.168 119.942 119.800 -0.043 0.000 2.123 46 Q HA -0.068 4.272 4.340 -0.001 0.000 0.196 46 Q C 2.300 178.257 176.000 -0.071 0.000 0.958 46 Q CA 0.589 56.356 55.803 -0.060 0.000 0.841 46 Q CB -0.699 27.989 28.738 -0.084 0.000 0.915 46 Q HN 0.166 nan 8.270 nan 0.000 0.455 47 L N 2.520 123.698 121.223 -0.075 0.000 1.976 47 L HA -0.295 4.045 4.340 -0.001 0.000 0.223 47 L C 2.624 179.473 176.870 -0.036 0.000 1.081 47 L CA 2.970 57.773 54.840 -0.061 0.000 0.784 47 L CB -0.773 41.262 42.059 -0.040 0.000 0.896 47 L HN 0.439 nan 8.230 nan 0.000 0.438 48 K N -0.692 119.692 120.400 -0.028 0.000 2.103 48 K HA -0.218 4.101 4.320 -0.001 0.000 0.207 48 K C 1.853 178.443 176.600 -0.016 0.000 1.048 48 K CA 2.026 58.301 56.287 -0.020 0.000 0.930 48 K CB -0.472 32.016 32.500 -0.019 0.000 0.716 48 K HN 0.547 nan 8.250 nan 0.000 0.444 49 E N 0.412 120.602 120.200 -0.016 0.000 2.038 49 E HA -0.133 4.216 4.350 -0.001 0.000 0.195 49 E C 2.016 178.618 176.600 0.004 0.000 1.000 49 E CA 1.784 58.181 56.400 -0.006 0.000 0.803 49 E CB -0.044 29.653 29.700 -0.005 0.000 0.750 49 E HN 0.374 nan 8.360 nan 0.000 0.448 50 S N 0.230 115.930 115.700 0.000 0.000 2.428 50 S HA -0.008 4.461 4.470 -0.001 0.000 0.230 50 S C 1.807 176.423 174.600 0.027 0.000 1.014 50 S CA 0.428 58.644 58.200 0.027 0.000 0.957 50 S CB 0.108 63.321 63.200 0.022 0.000 0.784 50 S HN 0.239 nan 8.310 nan 0.000 0.499 51 I N 2.010 122.582 120.570 0.004 0.000 3.728 51 I HA 0.019 4.189 4.170 -0.001 0.000 0.307 51 I C 2.253 178.359 176.117 -0.019 0.000 1.276 51 I CA 0.020 61.319 61.300 -0.002 0.000 1.285 51 I CB -0.038 37.957 38.000 -0.008 0.000 1.038 51 I HN 0.243 nan 8.210 nan 0.000 0.445 52 R N 1.280 121.771 120.500 -0.015 0.000 2.139 52 R HA -0.196 4.144 4.340 -0.001 0.000 0.243 52 R C 0.797 177.074 176.300 -0.039 0.000 1.145 52 R CA 2.121 58.206 56.100 -0.025 0.000 0.976 52 R CB -0.406 29.886 30.300 -0.014 0.000 0.866 52 R HN 0.424 nan 8.270 nan 0.000 0.449 53 D N -0.546 119.840 120.400 -0.023 0.000 2.620 53 D HA 0.167 4.807 4.640 -0.001 0.000 0.260 53 D C -0.617 175.679 176.300 -0.007 0.000 1.367 53 D CA -0.270 53.711 54.000 -0.031 0.000 0.805 53 D CB 0.420 41.229 40.800 0.014 0.000 1.096 53 D HN 0.304 nan 8.370 nan 0.000 0.488 54 A N 0.689 123.499 122.820 -0.017 0.000 2.366 54 A HA 0.259 4.579 4.320 -0.001 0.000 0.272 54 A C 0.807 178.323 177.584 -0.113 0.000 1.135 54 A CA -0.381 51.667 52.037 0.018 0.000 0.804 54 A CB 0.171 19.186 19.000 0.024 0.000 1.064 54 A HN 0.278 nan 8.150 nan 0.000 0.499 55 H N 1.647 120.579 119.070 -0.229 0.000 2.403 55 H HA 0.062 4.617 4.556 -0.000 0.000 0.298 55 H C -0.506 174.321 175.328 -0.836 0.000 1.059 55 H CA 1.202 56.952 56.048 -0.497 0.000 1.363 55 H CB 0.212 29.670 29.762 -0.506 0.000 1.410 55 H HN 0.654 nan 8.280 nan 0.000 0.528 56 F N -0.065 119.701 119.950 -0.306 0.000 2.577 56 F HA 0.474 5.001 4.527 -0.000 0.000 0.318 56 F C -0.298 175.419 175.800 -0.139 0.000 1.065 56 F CA -0.957 56.835 58.000 -0.346 0.000 0.929 56 F CB 2.609 41.096 39.000 -0.856 0.000 1.237 56 F HN -0.182 nan 8.300 nan 0.000 0.468 57 I N 1.076 121.748 120.570 0.171 0.000 2.533 57 I HA 0.721 4.891 4.170 -0.001 0.000 0.290 57 I C -0.808 175.468 176.117 0.266 0.000 1.056 57 I CA -0.396 61.015 61.300 0.184 0.000 1.057 57 I CB 1.692 39.755 38.000 0.104 0.000 1.240 57 I HN 0.671 nan 8.210 nan 0.000 0.423 58 G N 7.779 116.752 108.800 0.288 0.000 2.368 58 G HA2 0.609 4.569 3.960 -0.001 0.000 0.320 58 G HA3 0.609 4.569 3.960 -0.001 0.000 0.320 58 G C -1.053 173.957 174.900 0.183 0.000 1.158 58 G CA -0.518 44.789 45.100 0.346 0.000 0.912 58 G HN 0.689 nan 8.290 nan 0.000 0.456 59 L N 0.316 121.676 121.223 0.228 0.000 2.250 59 L HA 0.925 5.265 4.340 -0.001 0.000 0.252 59 L C 0.279 177.237 176.870 0.146 0.000 1.054 59 L CA -1.482 53.434 54.840 0.127 0.000 0.856 59 L CB 1.753 43.861 42.059 0.081 0.000 1.443 59 L HN 0.670 nan 8.230 nan 0.000 0.427 60 R N -0.899 119.647 120.500 0.078 0.000 3.379 60 R HA 0.526 4.865 4.340 -0.001 0.000 0.189 60 R C 1.100 177.396 176.300 -0.007 0.000 1.353 60 R CA -0.027 56.112 56.100 0.065 0.000 0.804 60 R CB -0.181 30.172 30.300 0.087 0.000 1.496 60 R HN 0.674 nan 8.270 nan 0.000 0.465 61 S N 0.847 116.533 115.700 -0.024 0.000 2.372 61 S HA -0.178 4.292 4.470 -0.001 0.000 0.227 61 S C 1.849 176.375 174.600 -0.123 0.000 1.044 61 S CA 1.165 59.323 58.200 -0.071 0.000 1.050 61 S CB -0.470 62.691 63.200 -0.065 0.000 0.901 61 S HN 0.375 nan 8.310 nan 0.000 0.447 62 R N 1.410 121.857 120.500 -0.089 0.000 2.161 62 R HA 0.179 4.519 4.340 -0.001 0.000 0.213 62 R C 0.380 176.595 176.300 -0.142 0.000 1.055 62 R CA 0.556 56.600 56.100 -0.095 0.000 0.996 62 R CB -0.944 29.351 30.300 -0.008 0.000 0.901 62 R HN 0.432 nan 8.270 nan 0.000 0.456 63 T N 1.548 116.040 114.554 -0.103 0.000 2.851 63 T HA 0.152 4.502 4.350 -0.001 0.000 0.298 63 T C -0.350 174.276 174.700 -0.123 0.000 0.977 63 T CA -0.087 61.994 62.100 -0.031 0.000 1.126 63 T CB 0.690 69.554 68.868 -0.006 0.000 0.916 63 T HN 0.140 nan 8.240 nan 0.000 0.529 64 H N 1.976 121.043 119.070 -0.006 0.000 2.597 64 H HA 0.370 4.926 4.556 -0.000 0.000 0.303 64 H C -0.224 175.099 175.328 -0.009 0.000 1.057 64 H CA -0.594 55.450 56.048 -0.007 0.000 1.261 64 H CB 0.345 30.102 29.762 -0.009 0.000 1.397 64 H HN 0.396 nan 8.280 nan 0.000 0.461 65 L N 4.391 125.652 121.223 0.063 0.000 2.358 65 L HA 0.187 4.527 4.340 -0.001 0.000 0.274 65 L C 0.483 177.376 176.870 0.039 0.000 1.136 65 L CA -0.651 54.213 54.840 0.039 0.000 0.970 65 L CB -0.399 41.666 42.059 0.011 0.000 1.314 65 L HN 0.679 nan 8.230 nan 0.000 0.427 66 T N -3.108 111.476 114.554 0.050 0.000 2.828 66 T HA 0.066 4.416 4.350 -0.001 0.000 0.290 66 T C 1.150 175.855 174.700 0.009 0.000 1.019 66 T CA -0.510 61.609 62.100 0.031 0.000 1.031 66 T CB 1.587 70.470 68.868 0.024 0.000 1.001 66 T HN 0.599 nan 8.240 nan 0.000 0.531 67 E N 0.824 121.025 120.200 0.002 0.000 2.086 67 E HA -0.314 4.036 4.350 -0.001 0.000 0.205 67 E C 1.313 177.907 176.600 -0.009 0.000 1.027 67 E CA 2.370 58.766 56.400 -0.006 0.000 0.830 67 E CB -0.403 29.292 29.700 -0.007 0.000 0.751 67 E HN 0.729 nan 8.360 nan 0.000 0.456 68 D N -0.449 119.946 120.400 -0.008 0.000 2.117 68 D HA -0.122 4.518 4.640 -0.001 0.000 0.197 68 D C 2.043 178.336 176.300 -0.013 0.000 0.987 68 D CA 1.316 55.309 54.000 -0.012 0.000 0.829 68 D CB -0.249 40.544 40.800 -0.012 0.000 0.961 68 D HN 0.149 nan 8.370 nan 0.000 0.460 69 V N 0.825 120.734 119.914 -0.008 0.000 2.270 69 V HA -0.202 3.918 4.120 -0.001 0.000 0.245 69 V C 2.499 178.583 176.094 -0.016 0.000 1.043 69 V CA 1.101 63.395 62.300 -0.009 0.000 1.014 69 V CB -0.369 31.456 31.823 0.002 0.000 0.645 69 V HN 0.184 nan 8.190 nan 0.000 0.447 70 I N 0.576 121.137 120.570 -0.015 0.000 2.151 70 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 70 I C 2.194 178.291 176.117 -0.032 0.000 1.080 70 I CA 2.137 63.422 61.300 -0.026 0.000 1.339 70 I CB -0.471 37.514 38.000 -0.025 0.000 1.039 70 I HN 0.393 nan 8.210 nan 0.000 0.409 71 N N 0.565 119.249 118.700 -0.026 0.000 2.396 71 N HA -0.062 4.678 4.740 -0.001 0.000 0.180 71 N C 1.666 177.158 175.510 -0.030 0.000 1.028 71 N CA 1.128 54.162 53.050 -0.028 0.000 0.893 71 N CB -0.188 38.285 38.487 -0.022 0.000 0.967 71 N HN 0.346 nan 8.380 nan 0.000 0.440 72 A N 0.243 123.046 122.820 -0.028 0.000 2.066 72 A HA 0.315 4.634 4.320 -0.001 0.000 0.218 72 A C 1.122 178.684 177.584 -0.038 0.000 1.157 72 A CA 0.489 52.509 52.037 -0.029 0.000 0.670 72 A CB -0.371 18.614 19.000 -0.024 0.000 0.804 72 A HN 0.241 nan 8.150 nan 0.000 0.453 73 A N 0.605 123.399 122.820 -0.044 0.000 2.545 73 A HA 0.354 4.673 4.320 -0.001 0.000 0.297 73 A C 0.745 178.282 177.584 -0.079 0.000 1.340 73 A CA 0.014 52.015 52.037 -0.060 0.000 1.016 73 A CB -0.327 18.636 19.000 -0.062 0.000 1.122 73 A HN 0.564 nan 8.150 nan 0.000 0.537 74 E N 1.751 121.902 120.200 -0.081 0.000 2.106 74 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 74 E C 0.969 177.489 176.600 -0.134 0.000 0.984 74 E CA 1.257 57.603 56.400 -0.090 0.000 0.806 74 E CB 0.055 29.710 29.700 -0.075 0.000 0.750 74 E HN 0.713 nan 8.360 nan 0.000 0.458 75 K N 0.259 120.543 120.400 -0.194 0.000 2.455 75 K HA 0.145 4.465 4.320 -0.001 0.000 0.206 75 K C -0.624 175.749 176.600 -0.378 0.000 1.027 75 K CA -0.358 55.733 56.287 -0.325 0.000 1.113 75 K CB 0.627 32.840 32.500 -0.478 0.000 0.850 75 K HN -0.027 nan 8.250 nan 0.000 0.503 76 L N 1.338 122.409 121.223 -0.253 0.000 2.313 76 L HA 0.083 4.423 4.340 -0.001 0.000 0.282 76 L C 0.807 177.520 176.870 -0.261 0.000 1.092 76 L CA 0.349 55.036 54.840 -0.254 0.000 0.831 76 L CB 1.224 43.186 42.059 -0.161 0.000 1.159 76 L HN -0.140 nan 8.230 nan 0.000 0.442 77 V N 4.591 124.269 119.914 -0.394 0.000 2.436 77 V HA 0.472 4.592 4.120 -0.001 0.000 0.240 77 V C 0.802 176.797 176.094 -0.165 0.000 1.040 77 V CA 1.006 63.111 62.300 -0.326 0.000 1.052 77 V CB -0.222 31.278 31.823 -0.538 0.000 0.707 77 V HN 0.883 nan 8.190 nan 0.000 0.469 78 A N -0.865 121.845 122.820 -0.183 0.000 2.583 78 A HA 0.810 5.129 4.320 -0.001 0.000 0.289 78 A C -1.516 176.106 177.584 0.064 0.000 1.151 78 A CA -0.473 51.541 52.037 -0.039 0.000 0.695 78 A CB 1.565 20.599 19.000 0.056 0.000 1.290 78 A HN 0.128 nan 8.150 nan 0.000 0.419 79 I N 0.177 120.775 120.570 0.047 0.000 2.545 79 I HA 0.581 4.751 4.170 -0.001 0.000 0.292 79 I C 0.308 176.513 176.117 0.146 0.000 1.040 79 I CA -0.658 60.690 61.300 0.079 0.000 1.068 79 I CB 2.544 40.539 38.000 -0.009 0.000 1.251 79 I HN 0.787 nan 8.210 nan 0.000 0.424 80 G N 4.294 113.216 108.800 0.203 0.000 2.660 80 G HA2 0.620 4.579 3.960 -0.001 0.000 0.305 80 G HA3 0.620 4.579 3.960 -0.001 0.000 0.305 80 G C -0.550 174.458 174.900 0.181 0.000 1.329 80 G CA -0.390 44.820 45.100 0.183 0.000 1.000 80 G HN 0.728 nan 8.290 nan 0.000 0.514 81 A N 2.579 125.428 122.820 0.048 0.000 2.437 81 A HA 0.563 4.883 4.320 -0.001 0.000 0.303 81 A C -0.382 177.188 177.584 -0.023 0.000 1.324 81 A CA -0.513 51.557 52.037 0.055 0.000 0.983 81 A CB -0.247 18.750 19.000 -0.005 0.000 1.142 81 A HN 0.605 nan 8.150 nan 0.000 0.541 82 F N 2.715 122.674 119.950 0.015 0.000 2.661 82 F HA 0.451 4.978 4.527 -0.001 0.000 0.356 82 F C 1.001 176.801 175.800 0.000 0.000 1.244 82 F CA 1.317 59.324 58.000 0.012 0.000 1.290 82 F CB -0.266 38.755 39.000 0.036 0.000 1.677 82 F HN 0.805 nan 8.300 nan 0.000 0.649 83 A N 0.699 123.544 122.820 0.041 0.000 2.402 83 A HA 0.470 4.790 4.320 -0.001 0.000 0.295 83 A C 0.067 177.626 177.584 -0.043 0.000 1.001 83 A CA -0.751 51.297 52.037 0.017 0.000 0.592 83 A CB 0.116 19.132 19.000 0.026 0.000 1.404 83 A HN 0.212 nan 8.150 nan 0.000 0.493 84 I N 0.633 121.177 120.570 -0.043 0.000 2.556 84 I HA 0.200 4.369 4.170 -0.001 0.000 0.251 84 I C 1.748 177.826 176.117 -0.066 0.000 1.105 84 I CA 0.928 62.187 61.300 -0.069 0.000 1.436 84 I CB -0.225 37.754 38.000 -0.036 0.000 1.139 84 I HN 0.753 nan 8.210 nan 0.000 0.438 85 G N 0.583 109.355 108.800 -0.047 0.000 2.527 85 G HA2 0.272 4.231 3.960 -0.001 0.000 0.248 85 G HA3 0.272 4.231 3.960 -0.001 0.000 0.248 85 G C 0.514 175.382 174.900 -0.053 0.000 1.231 85 G CA 0.236 45.309 45.100 -0.044 0.000 0.838 85 G HN 0.345 nan 8.290 nan 0.000 0.570 86 T N -1.596 112.927 114.554 -0.052 0.000 3.231 86 T HA 0.117 4.467 4.350 -0.001 0.000 0.292 86 T C 0.867 175.538 174.700 -0.048 0.000 1.001 86 T CA -0.479 61.588 62.100 -0.055 0.000 0.920 86 T CB 0.105 68.933 68.868 -0.066 0.000 1.140 86 T HN 0.286 nan 8.240 nan 0.000 0.525 87 N N 2.569 121.244 118.700 -0.042 0.000 2.449 87 N HA 0.005 4.744 4.740 -0.001 0.000 0.191 87 N C 1.836 177.325 175.510 -0.036 0.000 1.161 87 N CA 0.234 53.267 53.050 -0.028 0.000 0.863 87 N CB 0.082 38.562 38.487 -0.012 0.000 0.980 87 N HN 0.613 nan 8.380 nan 0.000 0.458 88 Q N -0.599 119.155 119.800 -0.077 0.000 2.282 88 Q HA 0.127 4.467 4.340 -0.001 0.000 0.206 88 Q C -0.322 175.635 176.000 -0.072 0.000 0.878 88 Q CA 0.240 55.958 55.803 -0.142 0.000 0.944 88 Q CB 0.251 28.819 28.738 -0.284 0.000 1.100 88 Q HN 0.002 nan 8.270 nan 0.000 0.509 89 V N 2.325 122.214 119.914 -0.042 0.000 2.513 89 V HA 0.191 4.310 4.120 -0.001 0.000 0.299 89 V C -0.073 176.012 176.094 -0.015 0.000 1.035 89 V CA -0.846 61.439 62.300 -0.025 0.000 0.889 89 V CB 1.814 33.615 31.823 -0.037 0.000 0.988 89 V HN 0.106 nan 8.190 nan 0.000 0.440 90 D N 3.857 124.254 120.400 -0.006 0.000 2.541 90 D HA 0.102 4.742 4.640 -0.001 0.000 0.231 90 D C 1.245 177.532 176.300 -0.022 0.000 1.163 90 D CA 0.207 54.202 54.000 -0.009 0.000 1.077 90 D CB 0.475 41.273 40.800 -0.003 0.000 1.110 90 D HN 0.526 nan 8.370 nan 0.000 0.499 91 L N 1.302 122.507 121.223 -0.029 0.000 2.261 91 L HA -0.151 4.189 4.340 -0.001 0.000 0.216 91 L C 1.637 178.489 176.870 -0.031 0.000 1.114 91 L CA 0.869 55.684 54.840 -0.041 0.000 0.777 91 L CB -0.031 42.000 42.059 -0.047 0.000 0.910 91 L HN 0.204 nan 8.230 nan 0.000 0.440 92 D N -0.541 119.844 120.400 -0.024 0.000 2.338 92 D HA 0.068 4.707 4.640 -0.001 0.000 0.208 92 D C 2.216 178.504 176.300 -0.020 0.000 0.997 92 D CA 0.949 54.935 54.000 -0.022 0.000 0.880 92 D CB 0.394 41.180 40.800 -0.022 0.000 0.980 92 D HN 0.212 nan 8.370 nan 0.000 0.509 93 A N 1.650 124.460 122.820 -0.017 0.000 1.883 93 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 93 A C 2.340 179.913 177.584 -0.018 0.000 1.186 93 A CA 2.192 54.219 52.037 -0.017 0.000 0.624 93 A CB -0.670 18.321 19.000 -0.015 0.000 0.822 93 A HN 0.218 nan 8.150 nan 0.000 0.444 94 A N -0.418 122.389 122.820 -0.022 0.000 1.978 94 A HA 0.147 4.467 4.320 -0.001 0.000 0.220 94 A C 2.399 179.986 177.584 0.006 0.000 1.170 94 A CA 2.078 54.100 52.037 -0.025 0.000 0.636 94 A CB -0.814 18.157 19.000 -0.048 0.000 0.810 94 A HN 1.104 nan 8.150 nan 0.000 0.448 95 A N -0.714 122.114 122.820 0.012 0.000 2.067 95 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 95 A C 2.039 179.621 177.584 -0.004 0.000 1.156 95 A CA 1.352 53.414 52.037 0.041 0.000 0.683 95 A CB -0.253 18.744 19.000 -0.005 0.000 0.808 95 A HN 0.509 nan 8.150 nan 0.000 0.455 96 K N -0.431 119.959 120.400 -0.015 0.000 2.155 96 K HA 0.001 4.321 4.320 -0.001 0.000 0.203 96 K C 1.526 178.117 176.600 -0.015 0.000 1.052 96 K CA 0.672 56.945 56.287 -0.024 0.000 0.948 96 K CB -0.046 32.441 32.500 -0.022 0.000 0.728 96 K HN 0.266 nan 8.250 nan 0.000 0.448 97 R N 0.098 120.593 120.500 -0.007 0.000 2.319 97 R HA 0.027 4.367 4.340 -0.001 0.000 0.204 97 R C 0.485 176.793 176.300 0.014 0.000 0.954 97 R CA 0.597 56.691 56.100 -0.009 0.000 1.066 97 R CB 0.266 30.552 30.300 -0.023 0.000 0.991 97 R HN 0.343 nan 8.270 nan 0.000 0.486 98 G N 2.157 110.993 108.800 0.061 0.000 2.298 98 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.287 98 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.287 98 G C -0.043 174.955 174.900 0.164 0.000 1.075 98 G CA -0.059 45.152 45.100 0.185 0.000 0.960 98 G HN 0.304 nan 8.290 nan 0.000 0.502 99 I N 1.453 122.059 120.570 0.060 0.000 2.410 99 I HA 0.330 4.500 4.170 -0.001 0.000 0.286 99 I C -1.984 173.891 176.117 -0.404 0.000 1.009 99 I CA -2.480 58.712 61.300 -0.181 0.000 1.111 99 I CB 2.374 40.301 38.000 -0.122 0.000 1.262 99 I HN -0.034 nan 8.210 nan 0.000 0.443 100 P HA 0.287 nan 4.420 nan 0.000 0.278 100 P C -0.818 176.033 177.300 -0.749 0.000 1.258 100 P CA -0.398 62.025 63.100 -1.129 0.000 0.811 100 P CB 1.898 32.474 31.700 -1.873 0.000 1.063 101 V N 1.853 121.352 119.914 -0.692 0.000 2.487 101 V HA 0.423 4.543 4.120 -0.001 0.000 0.298 101 V C -0.142 175.577 176.094 -0.624 0.000 1.028 101 V CA -0.250 61.773 62.300 -0.461 0.000 0.860 101 V CB 0.808 32.484 31.823 -0.246 0.000 0.991 101 V HN 0.401 nan 8.190 nan 0.000 0.427 102 F N 3.081 122.913 119.950 -0.198 0.000 2.613 102 F HA 0.705 5.231 4.527 -0.000 0.000 0.342 102 F C 0.481 176.158 175.800 -0.206 0.000 1.066 102 F CA -0.513 57.364 58.000 -0.206 0.000 1.002 102 F CB 2.024 40.890 39.000 -0.224 0.000 1.319 102 F HN 0.725 nan 8.300 nan 0.000 0.495 103 N N -0.713 117.978 118.700 -0.016 0.000 3.378 103 N HA 0.719 5.459 4.740 -0.001 0.000 0.294 103 N C -2.118 173.281 175.510 -0.184 0.000 1.544 103 N CA -1.261 51.712 53.050 -0.128 0.000 0.872 103 N CB 1.672 40.086 38.487 -0.121 0.000 1.670 103 N HN 0.652 nan 8.380 nan 0.000 0.551 104 A N 0.238 122.939 122.820 -0.199 0.000 2.586 104 A HA 0.521 4.841 4.320 -0.001 0.000 0.320 104 A C -2.202 175.225 177.584 -0.261 0.000 1.281 104 A CA -1.371 50.535 52.037 -0.219 0.000 0.775 104 A CB 0.703 19.593 19.000 -0.182 0.000 1.122 104 A HN 0.614 nan 8.150 nan 0.000 0.470 105 P HA 0.079 nan 4.420 nan 0.000 0.231 105 P C 0.196 177.155 177.300 -0.568 0.000 1.168 105 P CA 0.937 63.655 63.100 -0.636 0.000 0.779 105 P CB -0.014 31.063 31.700 -1.039 0.000 0.844 106 F N -1.208 118.637 119.950 -0.176 0.000 2.841 106 F HA 0.296 4.823 4.527 -0.000 0.000 0.358 106 F C 1.243 176.964 175.800 -0.131 0.000 1.261 106 F CA -0.300 57.558 58.000 -0.236 0.000 1.233 106 F CB 0.392 39.106 39.000 -0.478 0.000 1.008 106 F HN -0.261 nan 8.300 nan 0.000 0.507 107 S N -0.433 115.282 115.700 0.026 0.000 2.524 107 S HA 0.026 4.495 4.470 -0.001 0.000 0.215 107 S C 1.339 175.948 174.600 0.015 0.000 0.986 107 S CA 0.141 58.346 58.200 0.009 0.000 0.911 107 S CB -0.035 63.148 63.200 -0.030 0.000 0.805 107 S HN 0.295 nan 8.310 nan 0.000 0.501 108 N N 1.270 119.987 118.700 0.029 0.000 2.280 108 N HA 0.107 4.846 4.740 -0.001 0.000 0.192 108 N C 1.351 176.875 175.510 0.023 0.000 1.109 108 N CA 0.346 53.413 53.050 0.029 0.000 0.855 108 N CB -0.234 38.279 38.487 0.043 0.000 0.974 108 N HN 0.200 nan 8.380 nan 0.000 0.482 109 T N 0.697 115.266 114.554 0.025 0.000 2.516 109 T HA -0.270 4.080 4.350 -0.001 0.000 0.261 109 T C 1.929 176.616 174.700 -0.022 0.000 1.130 109 T CA 1.608 63.709 62.100 0.001 0.000 1.193 109 T CB -0.263 68.610 68.868 0.009 0.000 0.864 109 T HN 0.188 nan 8.240 nan 0.000 0.410 110 R N 1.066 121.554 120.500 -0.020 0.000 2.153 110 R HA -0.138 4.201 4.340 -0.001 0.000 0.252 110 R C 2.543 178.835 176.300 -0.015 0.000 1.158 110 R CA 1.935 58.021 56.100 -0.024 0.000 0.975 110 R CB -0.636 29.652 30.300 -0.020 0.000 0.871 110 R HN 0.317 nan 8.270 nan 0.000 0.450 111 S N -0.809 114.890 115.700 -0.002 0.000 2.356 111 S HA -0.110 4.360 4.470 -0.001 0.000 0.223 111 S C 1.892 176.500 174.600 0.013 0.000 1.032 111 S CA 1.356 59.562 58.200 0.010 0.000 1.005 111 S CB -0.230 62.983 63.200 0.022 0.000 0.867 111 S HN 0.167 nan 8.310 nan 0.000 0.449 112 V N 2.239 122.160 119.914 0.011 0.000 2.237 112 V HA -0.207 3.913 4.120 -0.001 0.000 0.245 112 V C 2.683 178.775 176.094 -0.002 0.000 1.046 112 V CA 1.671 63.983 62.300 0.020 0.000 1.007 112 V CB -1.424 30.418 31.823 0.030 0.000 0.638 112 V HN 0.529 nan 8.190 nan 0.000 0.445 113 A N -0.146 122.639 122.820 -0.059 0.000 1.873 113 A HA -0.370 3.949 4.320 -0.001 0.000 0.219 113 A C 2.134 179.707 177.584 -0.017 0.000 1.269 113 A CA 2.585 54.579 52.037 -0.071 0.000 0.671 113 A CB -0.905 18.043 19.000 -0.087 0.000 0.842 113 A HN 0.639 nan 8.150 nan 0.000 0.460 114 E N -1.030 119.164 120.200 -0.011 0.000 2.086 114 E HA -0.271 4.079 4.350 -0.001 0.000 0.200 114 E C 1.984 178.593 176.600 0.015 0.000 1.012 114 E CA 1.499 57.901 56.400 0.003 0.000 0.812 114 E CB -0.411 29.291 29.700 0.003 0.000 0.743 114 E HN 0.529 nan 8.360 nan 0.000 0.453 115 L N 0.887 122.123 121.223 0.021 0.000 2.013 115 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 115 L C 2.329 179.220 176.870 0.035 0.000 1.073 115 L CA 1.504 56.361 54.840 0.028 0.000 0.753 115 L CB -0.519 41.560 42.059 0.033 0.000 0.890 115 L HN -0.058 nan 8.230 nan 0.000 0.432 116 V N -0.182 119.761 119.914 0.048 0.000 2.255 116 V HA -0.331 3.789 4.120 -0.001 0.000 0.247 116 V C 2.552 178.676 176.094 0.049 0.000 1.051 116 V CA 2.003 64.341 62.300 0.065 0.000 1.018 116 V CB -0.540 31.352 31.823 0.115 0.000 0.641 116 V HN 0.404 nan 8.190 nan 0.000 0.445 117 I N 0.659 121.252 120.570 0.038 0.000 2.118 117 I HA -0.236 3.934 4.170 -0.001 0.000 0.241 117 I C 2.669 178.802 176.117 0.027 0.000 1.070 117 I CA 2.225 63.543 61.300 0.030 0.000 1.327 117 I CB -1.715 36.297 38.000 0.019 0.000 1.034 117 I HN 0.441 nan 8.210 nan 0.000 0.405 118 G N 0.332 109.146 108.800 0.024 0.000 2.469 118 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.219 118 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.219 118 G C 1.566 176.481 174.900 0.025 0.000 1.150 118 G CA 0.608 45.722 45.100 0.022 0.000 0.763 118 G HN 0.454 nan 8.290 nan 0.000 0.561 119 E N 0.078 120.295 120.200 0.028 0.000 2.077 119 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 119 E C 2.587 179.204 176.600 0.029 0.000 0.989 119 E CA 1.283 57.700 56.400 0.028 0.000 0.800 119 E CB -0.175 29.542 29.700 0.027 0.000 0.746 119 E HN 0.577 nan 8.360 nan 0.000 0.452 120 L N -0.860 120.383 121.223 0.032 0.000 2.023 120 L HA -0.066 4.274 4.340 -0.001 0.000 0.205 120 L C 2.285 179.176 176.870 0.036 0.000 1.073 120 L CA 1.208 56.069 54.840 0.034 0.000 0.745 120 L CB -1.062 41.020 42.059 0.039 0.000 0.900 120 L HN -0.030 nan 8.230 nan 0.000 0.435 121 L N -0.364 120.880 121.223 0.034 0.000 2.095 121 L HA -0.321 4.019 4.340 -0.001 0.000 0.229 121 L C 2.777 179.667 176.870 0.032 0.000 1.097 121 L CA 1.978 56.838 54.840 0.033 0.000 0.813 121 L CB -0.779 41.295 42.059 0.025 0.000 0.907 121 L HN 0.403 nan 8.230 nan 0.000 0.445 122 L N -1.367 119.872 121.223 0.028 0.000 2.179 122 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 122 L C 2.434 179.320 176.870 0.026 0.000 1.096 122 L CA 0.758 55.612 54.840 0.023 0.000 0.779 122 L CB -0.249 41.823 42.059 0.021 0.000 0.922 122 L HN 0.327 nan 8.230 nan 0.000 0.443 123 L N -0.820 120.422 121.223 0.032 0.000 1.988 123 L HA -0.231 4.109 4.340 -0.001 0.000 0.207 123 L C 2.460 179.359 176.870 0.048 0.000 1.071 123 L CA 0.684 55.544 54.840 0.033 0.000 0.744 123 L CB -0.445 41.630 42.059 0.027 0.000 0.893 123 L HN 0.194 nan 8.230 nan 0.000 0.433 124 L N 0.015 121.277 121.223 0.065 0.000 2.211 124 L HA -0.239 4.101 4.340 -0.001 0.000 0.216 124 L C 2.515 179.450 176.870 0.109 0.000 1.092 124 L CA 1.726 56.635 54.840 0.116 0.000 0.767 124 L CB -0.791 41.341 42.059 0.122 0.000 0.894 124 L HN 0.228 nan 8.230 nan 0.000 0.437 125 R N -1.281 119.250 120.500 0.050 0.000 2.290 125 R HA 0.278 4.618 4.340 -0.001 0.000 0.197 125 R C 1.428 177.720 176.300 -0.013 0.000 0.913 125 R CA 0.750 56.853 56.100 0.006 0.000 1.040 125 R CB -0.232 30.066 30.300 -0.003 0.000 0.992 125 R HN 0.372 nan 8.270 nan 0.000 0.500 126 G N 0.821 109.625 108.800 0.006 0.000 2.143 126 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.248 126 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.248 126 G C 0.939 175.831 174.900 -0.014 0.000 0.991 126 G CA 0.482 45.580 45.100 -0.003 0.000 0.689 126 G HN 0.184 nan 8.290 nan 0.000 0.522 127 V N 0.917 120.826 119.914 -0.010 0.000 2.343 127 V HA -0.142 3.978 4.120 -0.001 0.000 0.247 127 V C 0.995 177.093 176.094 0.006 0.000 1.051 127 V CA 2.721 65.013 62.300 -0.013 0.000 1.036 127 V CB -0.956 30.863 31.823 -0.006 0.000 0.654 127 V HN 0.404 nan 8.190 nan 0.000 0.451 128 P HA -0.192 nan 4.420 nan 0.000 0.214 128 P C 1.713 179.039 177.300 0.042 0.000 1.163 128 P CA 1.611 64.733 63.100 0.037 0.000 0.883 128 P CB 0.035 31.761 31.700 0.043 0.000 0.788 129 E N -0.478 119.744 120.200 0.037 0.000 2.049 129 E HA -0.237 4.113 4.350 -0.001 0.000 0.198 129 E C 1.986 178.596 176.600 0.017 0.000 1.007 129 E CA 1.437 57.860 56.400 0.038 0.000 0.809 129 E CB -0.624 29.097 29.700 0.035 0.000 0.749 129 E HN 0.043 nan 8.360 nan 0.000 0.450 130 A N 0.878 123.687 122.820 -0.018 0.000 1.978 130 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 130 A C 1.918 179.481 177.584 -0.034 0.000 1.170 130 A CA 1.968 53.967 52.037 -0.064 0.000 0.636 130 A CB -0.805 18.120 19.000 -0.124 0.000 0.810 130 A HN 0.376 nan 8.150 nan 0.000 0.448 131 N N -0.176 118.535 118.700 0.019 0.000 2.216 131 N HA 0.020 4.760 4.740 -0.001 0.000 0.183 131 N C 1.718 177.353 175.510 0.209 0.000 1.017 131 N CA 1.628 54.737 53.050 0.099 0.000 0.861 131 N CB -0.337 38.223 38.487 0.122 0.000 0.986 131 N HN 0.320 nan 8.380 nan 0.000 0.428 132 A N 1.113 124.013 122.820 0.134 0.000 1.858 132 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 132 A C 2.032 179.689 177.584 0.122 0.000 1.190 132 A CA 1.537 53.652 52.037 0.129 0.000 0.617 132 A CB -0.552 18.496 19.000 0.080 0.000 0.827 132 A HN 0.389 nan 8.150 nan 0.000 0.443 133 K N -0.116 120.329 120.400 0.075 0.000 2.044 133 K HA -0.161 4.159 4.320 -0.001 0.000 0.210 133 K C 2.322 178.960 176.600 0.064 0.000 1.049 133 K CA 1.330 57.654 56.287 0.061 0.000 0.927 133 K CB -0.528 31.992 32.500 0.034 0.000 0.713 133 K HN 0.429 nan 8.250 nan 0.000 0.443 134 A N 2.060 124.897 122.820 0.028 0.000 1.917 134 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 134 A C 1.957 179.509 177.584 -0.053 0.000 1.182 134 A CA 1.633 53.657 52.037 -0.022 0.000 0.633 134 A CB -0.897 18.033 19.000 -0.117 0.000 0.819 134 A HN 0.350 nan 8.150 nan 0.000 0.448 135 H N -0.242 118.854 119.070 0.044 0.000 2.457 135 H HA -0.065 4.491 4.556 -0.001 0.000 0.294 135 H C 1.622 176.976 175.328 0.042 0.000 1.064 135 H CA 1.605 57.678 56.048 0.041 0.000 1.330 135 H CB 0.017 29.797 29.762 0.031 0.000 1.395 135 H HN 0.707 nan 8.280 nan 0.000 0.541 136 R N -0.215 120.364 120.500 0.132 0.000 2.515 136 R HA 0.265 4.605 4.340 -0.001 0.000 0.294 136 R C 0.758 177.099 176.300 0.070 0.000 1.021 136 R CA 0.461 56.614 56.100 0.089 0.000 1.081 136 R CB 0.334 30.679 30.300 0.075 0.000 1.263 136 R HN 0.168 nan 8.270 nan 0.000 0.557 137 G N 0.382 109.225 108.800 0.070 0.000 2.131 137 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.223 137 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.223 137 G C -0.266 174.691 174.900 0.095 0.000 0.990 137 G CA -0.103 45.039 45.100 0.071 0.000 0.671 137 G HN 0.175 nan 8.290 nan 0.000 0.521 138 V N 1.402 121.380 119.914 0.106 0.000 2.448 138 V HA 0.661 4.780 4.120 -0.001 0.000 0.295 138 V C 0.066 176.264 176.094 0.174 0.000 1.025 138 V CA -0.994 61.381 62.300 0.125 0.000 0.859 138 V CB 1.795 33.667 31.823 0.081 0.000 0.988 138 V HN 0.339 nan 8.190 nan 0.000 0.431 139 W N 5.429 126.726 121.300 -0.004 0.000 2.469 139 W HA 0.488 5.148 4.660 -0.001 0.000 0.320 139 W C -0.410 176.108 176.519 -0.002 0.000 1.086 139 W CA -0.533 56.807 57.345 -0.008 0.000 1.211 139 W CB 1.736 31.189 29.460 -0.011 0.000 1.298 139 W HN 0.625 nan 8.180 nan 0.000 0.525 140 N N 4.475 122.985 118.700 -0.315 0.000 2.664 140 N HA 0.036 4.775 4.740 -0.001 0.000 0.287 140 N C -0.976 174.364 175.510 -0.283 0.000 1.869 140 N CA -0.248 52.692 53.050 -0.183 0.000 0.832 140 N CB 0.358 38.776 38.487 -0.116 0.000 1.293 140 N HN 0.410 nan 8.380 nan 0.000 0.498 141 K N 1.810 122.009 120.400 -0.335 0.000 2.338 141 K HA 0.395 4.715 4.320 -0.001 0.000 0.290 141 K C -0.512 176.032 176.600 -0.093 0.000 1.069 141 K CA -0.317 55.820 56.287 -0.251 0.000 0.941 141 K CB 0.303 32.696 32.500 -0.180 0.000 1.023 141 K HN 0.362 nan 8.250 nan 0.000 0.477 142 L N 0.663 121.823 121.223 -0.104 0.000 2.568 142 L HA 0.767 5.107 4.340 -0.001 0.000 0.257 142 L C -0.810 176.006 176.870 -0.090 0.000 1.024 142 L CA -0.610 54.188 54.840 -0.069 0.000 0.854 142 L CB 1.815 43.842 42.059 -0.053 0.000 1.460 142 L HN 0.581 nan 8.230 nan 0.000 0.409 143 A N 1.166 123.933 122.820 -0.089 0.000 2.141 143 A HA 0.681 5.001 4.320 -0.001 0.000 0.201 143 A C 1.053 178.533 177.584 -0.174 0.000 1.344 143 A CA 0.505 52.466 52.037 -0.127 0.000 0.971 143 A CB -0.118 18.818 19.000 -0.106 0.000 1.035 143 A HN 1.177 nan 8.150 nan 0.000 0.480 144 A N 0.092 122.838 122.820 -0.124 0.000 2.583 144 A HA 0.390 4.709 4.320 -0.001 0.000 0.249 144 A C 1.686 179.188 177.584 -0.136 0.000 1.035 144 A CA 1.178 53.145 52.037 -0.116 0.000 0.777 144 A CB -0.944 18.024 19.000 -0.054 0.000 0.942 144 A HN 2.158 nan 8.150 nan 0.000 0.516 145 G N 1.870 110.559 108.800 -0.184 0.000 2.284 145 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.230 145 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.230 145 G C 0.528 175.254 174.900 -0.290 0.000 1.021 145 G CA 0.329 45.369 45.100 -0.100 0.000 0.619 145 G HN 1.316 nan 8.290 nan 0.000 0.510 146 S N 0.408 115.796 115.700 -0.519 0.000 2.585 146 S HA 0.836 5.306 4.470 -0.001 0.000 0.277 146 S C -0.695 173.397 174.600 -0.847 0.000 1.241 146 S CA -0.150 57.778 58.200 -0.453 0.000 1.041 146 S CB 1.027 64.083 63.200 -0.240 0.000 0.987 146 S HN 0.384 nan 8.310 nan 0.000 0.512 147 F N 0.424 120.371 119.950 -0.005 0.000 2.613 147 F HA 0.364 4.891 4.527 -0.001 0.000 0.310 147 F C 0.305 176.104 175.800 -0.000 0.000 1.085 147 F CA -1.039 56.961 58.000 -0.000 0.000 0.945 147 F CB 1.392 40.394 39.000 0.004 0.000 1.298 147 F HN 0.442 nan 8.300 nan 0.000 0.455 148 E N 0.383 120.706 120.200 0.206 0.000 2.373 148 E HA 0.448 4.798 4.350 -0.001 0.000 0.263 148 E C 0.158 176.832 176.600 0.123 0.000 1.073 148 E CA -0.099 56.375 56.400 0.123 0.000 0.894 148 E CB 1.338 31.088 29.700 0.085 0.000 1.008 148 E HN 0.718 nan 8.360 nan 0.000 0.420 149 A N 2.956 125.818 122.820 0.070 0.000 2.030 149 A HA -0.033 4.286 4.320 -0.001 0.000 0.215 149 A C 1.209 178.803 177.584 0.018 0.000 1.164 149 A CA 0.159 52.224 52.037 0.046 0.000 0.697 149 A CB 0.070 19.090 19.000 0.033 0.000 0.827 149 A HN 0.468 nan 8.150 nan 0.000 0.457 150 R N 0.149 120.656 120.500 0.012 0.000 2.486 150 R HA 0.183 4.523 4.340 -0.001 0.000 0.303 150 R C 1.107 177.399 176.300 -0.013 0.000 0.958 150 R CA 1.164 57.250 56.100 -0.023 0.000 1.077 150 R CB -0.312 29.980 30.300 -0.014 0.000 0.921 150 R HN 0.848 nan 8.270 nan 0.000 0.406 151 G N 3.209 111.964 108.800 -0.076 0.000 2.179 151 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.260 151 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.260 151 G C -0.103 174.864 174.900 0.111 0.000 0.977 151 G CA 0.073 45.178 45.100 0.007 0.000 0.641 151 G HN 0.484 nan 8.290 nan 0.000 0.533 152 K N 0.295 120.725 120.400 0.050 0.000 2.098 152 K HA 0.502 4.821 4.320 -0.001 0.000 0.257 152 K C 0.383 177.065 176.600 0.137 0.000 0.999 152 K CA -0.480 55.843 56.287 0.059 0.000 0.924 152 K CB 0.883 33.385 32.500 0.003 0.000 1.028 152 K HN 0.224 nan 8.250 nan 0.000 0.466 153 K N 1.500 121.976 120.400 0.127 0.000 2.262 153 K HA 0.216 4.535 4.320 -0.001 0.000 0.282 153 K C -0.464 176.219 176.600 0.138 0.000 1.066 153 K CA -0.544 55.858 56.287 0.191 0.000 0.901 153 K CB 0.579 33.124 32.500 0.075 0.000 1.089 153 K HN 0.216 nan 8.250 nan 0.000 0.476 154 L N 2.664 124.003 121.223 0.193 0.000 2.272 154 L HA 0.475 4.815 4.340 -0.001 0.000 0.289 154 L C -0.174 176.821 176.870 0.209 0.000 1.032 154 L CA 0.130 55.065 54.840 0.158 0.000 0.810 154 L CB 1.196 43.337 42.059 0.137 0.000 1.205 154 L HN 0.622 nan 8.230 nan 0.000 0.422 155 G N 6.613 115.510 108.800 0.161 0.000 2.468 155 G HA2 0.505 4.465 3.960 -0.001 0.000 0.320 155 G HA3 0.505 4.465 3.960 -0.001 0.000 0.320 155 G C -0.559 174.456 174.900 0.193 0.000 1.137 155 G CA -0.444 44.766 45.100 0.184 0.000 0.984 155 G HN 0.626 nan 8.290 nan 0.000 0.462 156 I N 2.672 123.399 120.570 0.262 0.000 2.325 156 I HA 0.258 4.428 4.170 -0.001 0.000 0.291 156 I C -0.259 176.028 176.117 0.284 0.000 1.019 156 I CA -0.418 61.052 61.300 0.283 0.000 1.302 156 I CB 1.519 39.728 38.000 0.348 0.000 1.401 156 I HN 0.276 nan 8.210 nan 0.000 0.485 157 I N 6.444 127.140 120.570 0.210 0.000 2.337 157 I HA 0.507 4.677 4.170 -0.001 0.000 0.285 157 I C 0.353 176.549 176.117 0.132 0.000 1.041 157 I CA -0.069 61.352 61.300 0.202 0.000 1.199 157 I CB 1.138 39.246 38.000 0.181 0.000 1.370 157 I HN 0.776 nan 8.210 nan 0.000 0.470 158 G N 4.704 113.576 108.800 0.121 0.000 2.730 158 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.644 158 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.644 158 G C -0.946 174.024 174.900 0.117 0.000 1.168 158 G CA -0.830 44.322 45.100 0.086 0.000 1.240 158 G HN 0.560 nan 8.290 nan 0.000 0.551 159 Y N 2.818 123.020 120.300 -0.163 0.000 2.813 159 Y HA 0.493 5.043 4.550 -0.001 0.000 0.378 159 Y C 1.289 177.014 175.900 -0.290 0.000 1.023 159 Y CA 0.102 58.004 58.100 -0.329 0.000 1.567 159 Y CB -0.027 37.980 38.460 -0.756 0.000 1.492 159 Y HN 0.712 nan 8.280 nan 0.000 0.533 160 G N -0.218 108.437 108.800 -0.241 0.000 2.783 160 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.182 160 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.182 160 G C 0.783 175.441 174.900 -0.404 0.000 1.516 160 G CA -0.152 44.787 45.100 -0.269 0.000 1.079 160 G HN 0.551 nan 8.290 nan 0.000 0.573 161 H N -0.758 118.090 119.070 -0.370 0.000 2.387 161 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 161 H C 2.571 177.714 175.328 -0.309 0.000 1.090 161 H CA 1.447 57.270 56.048 -0.375 0.000 1.332 161 H CB 0.263 29.765 29.762 -0.433 0.000 1.386 161 H HN 0.193 nan 8.280 nan 0.000 0.516 162 I N -0.293 120.182 120.570 -0.159 0.000 2.429 162 I HA -0.050 4.120 4.170 -0.001 0.000 0.247 162 I C 2.878 178.757 176.117 -0.396 0.000 1.099 162 I CA 0.725 61.867 61.300 -0.263 0.000 1.422 162 I CB -0.366 37.474 38.000 -0.266 0.000 1.112 162 I HN 0.153 nan 8.210 nan 0.000 0.430 163 G N 0.735 109.326 108.800 -0.350 0.000 2.476 163 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 163 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 163 G C 1.612 176.315 174.900 -0.328 0.000 1.164 163 G CA 1.722 46.691 45.100 -0.219 0.000 0.768 163 G HN 0.264 nan 8.290 nan 0.000 0.560 164 T N 0.586 114.723 114.554 -0.695 0.000 2.536 164 T HA -0.268 4.081 4.350 -0.001 0.000 0.263 164 T C 2.341 176.861 174.700 -0.299 0.000 1.115 164 T CA 2.044 63.710 62.100 -0.722 0.000 1.180 164 T CB -0.357 68.091 68.868 -0.699 0.000 0.864 164 T HN 0.369 nan 8.240 nan 0.000 0.419 165 Q N 0.504 120.154 119.800 -0.251 0.000 2.124 165 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 165 Q C 2.085 178.019 176.000 -0.109 0.000 0.977 165 Q CA 1.197 56.910 55.803 -0.149 0.000 0.850 165 Q CB -0.774 27.887 28.738 -0.128 0.000 0.901 165 Q HN 0.464 nan 8.270 nan 0.000 0.429 166 L N -0.156 120.983 121.223 -0.139 0.000 1.956 166 L HA -0.096 4.244 4.340 -0.001 0.000 0.216 166 L C 2.090 178.957 176.870 -0.005 0.000 1.073 166 L CA 2.649 57.440 54.840 -0.082 0.000 0.762 166 L CB -1.369 40.618 42.059 -0.120 0.000 0.889 166 L HN 0.337 nan 8.230 nan 0.000 0.433 167 G N -0.094 108.731 108.800 0.042 0.000 2.649 167 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.220 167 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.220 167 G C 1.634 176.566 174.900 0.054 0.000 1.189 167 G CA 1.704 46.868 45.100 0.107 0.000 0.777 167 G HN 0.540 nan 8.290 nan 0.000 0.602 168 I N 0.537 121.117 120.570 0.018 0.000 2.194 168 I HA -0.196 3.974 4.170 -0.001 0.000 0.246 168 I C 2.762 178.877 176.117 -0.002 0.000 1.093 168 I CA 0.822 62.124 61.300 0.004 0.000 1.355 168 I CB -0.242 37.746 38.000 -0.020 0.000 1.046 168 I HN 0.172 nan 8.210 nan 0.000 0.413 169 L N 0.290 121.508 121.223 -0.008 0.000 2.056 169 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 169 L C 2.845 179.715 176.870 -0.001 0.000 1.078 169 L CA 1.226 56.061 54.840 -0.007 0.000 0.749 169 L CB -0.790 41.264 42.059 -0.010 0.000 0.901 169 L HN 0.228 nan 8.230 nan 0.000 0.433 170 A N -0.287 122.541 122.820 0.013 0.000 2.019 170 A HA -0.228 4.092 4.320 -0.001 0.000 0.219 170 A C 2.194 179.772 177.584 -0.009 0.000 1.164 170 A CA 1.707 53.754 52.037 0.016 0.000 0.644 170 A CB -0.353 18.674 19.000 0.046 0.000 0.805 170 A HN 0.431 nan 8.150 nan 0.000 0.449 171 E N -0.598 119.598 120.200 -0.007 0.000 2.170 171 E HA -0.036 4.314 4.350 -0.001 0.000 0.191 171 E C 2.142 178.717 176.600 -0.041 0.000 0.981 171 E CA 0.723 57.104 56.400 -0.032 0.000 0.830 171 E CB 0.073 29.767 29.700 -0.009 0.000 0.775 171 E HN 0.566 nan 8.360 nan 0.000 0.470 172 S N 0.642 116.327 115.700 -0.024 0.000 2.370 172 S HA -0.139 4.331 4.470 -0.001 0.000 0.226 172 S C 1.359 175.940 174.600 -0.031 0.000 1.033 172 S CA 0.716 58.901 58.200 -0.024 0.000 1.011 172 S CB -0.082 63.109 63.200 -0.016 0.000 0.852 172 S HN 0.175 nan 8.310 nan 0.000 0.457 173 L N 1.183 122.388 121.223 -0.030 0.000 2.650 173 L HA 0.221 4.560 4.340 -0.001 0.000 0.235 173 L C 1.613 178.447 176.870 -0.061 0.000 1.149 173 L CA 0.581 55.401 54.840 -0.033 0.000 0.887 173 L CB -1.524 40.523 42.059 -0.020 0.000 1.021 173 L HN 0.456 nan 8.230 nan 0.000 0.441 174 G N -0.556 108.188 108.800 -0.094 0.000 2.198 174 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.260 174 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.260 174 G C 0.461 175.203 174.900 -0.263 0.000 1.025 174 G CA 0.472 45.468 45.100 -0.173 0.000 0.769 174 G HN 0.351 nan 8.290 nan 0.000 0.507 175 M N -0.920 118.567 119.600 -0.189 0.000 2.291 175 M HA 0.512 4.992 4.480 -0.001 0.000 0.324 175 M C 0.205 176.378 176.300 -0.212 0.000 1.148 175 M CA -0.562 54.641 55.300 -0.161 0.000 1.104 175 M CB 0.942 33.526 32.600 -0.025 0.000 1.483 175 M HN 0.120 nan 8.290 nan 0.000 0.467 176 Y N 0.541 120.884 120.300 0.071 0.000 2.327 176 Y HA 0.398 4.948 4.550 -0.001 0.000 0.336 176 Y C -0.263 175.697 175.900 0.100 0.000 1.035 176 Y CA -0.821 57.327 58.100 0.081 0.000 1.165 176 Y CB 1.056 39.623 38.460 0.178 0.000 1.181 176 Y HN 0.259 nan 8.280 nan 0.000 0.494 177 V N 5.563 125.536 119.914 0.098 0.000 2.334 177 V HA 0.281 4.401 4.120 -0.001 0.000 0.281 177 V C -0.904 175.075 176.094 -0.192 0.000 1.016 177 V CA -1.051 61.280 62.300 0.052 0.000 0.832 177 V CB -0.024 31.851 31.823 0.087 0.000 0.999 177 V HN 0.555 nan 8.190 nan 0.000 0.439 178 Y N 5.313 125.647 120.300 0.057 0.000 2.468 178 Y HA 0.835 5.385 4.550 -0.000 0.000 0.342 178 Y C -0.170 175.759 175.900 0.048 0.000 1.021 178 Y CA -1.087 56.978 58.100 -0.059 0.000 1.079 178 Y CB 2.077 40.505 38.460 -0.053 0.000 1.226 178 Y HN 0.668 nan 8.280 nan 0.000 0.460 179 F N -0.078 119.907 119.950 0.059 0.000 2.654 179 F HA 0.568 5.095 4.527 -0.001 0.000 0.308 179 F C -2.189 173.672 175.800 0.103 0.000 1.108 179 F CA -2.110 55.910 58.000 0.032 0.000 0.957 179 F CB 1.208 40.107 39.000 -0.169 0.000 1.309 179 F HN 0.471 nan 8.300 nan 0.000 0.446 180 Y N 2.148 122.647 120.300 0.332 0.000 2.331 180 Y HA 0.588 5.138 4.550 -0.001 0.000 0.334 180 Y C -1.624 174.406 175.900 0.216 0.000 0.960 180 Y CA -0.543 57.687 58.100 0.217 0.000 1.130 180 Y CB 0.984 39.514 38.460 0.116 0.000 1.164 180 Y HN 0.842 nan 8.280 nan 0.000 0.458 181 D N 6.077 126.362 120.400 -0.193 0.000 2.896 181 D HA 0.150 4.790 4.640 -0.001 0.000 0.241 181 D C 0.603 176.657 176.300 -0.410 0.000 1.188 181 D CA -0.559 53.225 54.000 -0.360 0.000 0.879 181 D CB 1.619 42.373 40.800 -0.077 0.000 1.553 181 D HN 0.786 nan 8.370 nan 0.000 0.515 182 I N 0.132 120.439 120.570 -0.438 0.000 3.330 182 I HA 0.079 4.249 4.170 -0.001 0.000 0.298 182 I C 0.346 176.412 176.117 -0.085 0.000 1.317 182 I CA 0.656 61.822 61.300 -0.223 0.000 1.334 182 I CB -0.165 37.751 38.000 -0.140 0.000 1.031 182 I HN 0.191 nan 8.210 nan 0.000 0.547 183 E N 1.786 121.946 120.200 -0.066 0.000 2.408 183 E HA 0.269 4.619 4.350 -0.001 0.000 0.275 183 E C -0.943 175.672 176.600 0.026 0.000 0.935 183 E CA -0.983 55.408 56.400 -0.015 0.000 0.775 183 E CB 1.464 31.151 29.700 -0.021 0.000 1.277 183 E HN 0.228 nan 8.360 nan 0.000 0.455 184 N N 2.688 121.411 118.700 0.037 0.000 2.415 184 N HA 0.091 4.830 4.740 -0.001 0.000 0.250 184 N C -1.312 174.250 175.510 0.087 0.000 1.127 184 N CA -0.159 52.930 53.050 0.065 0.000 0.945 184 N CB 0.482 38.995 38.487 0.043 0.000 1.196 184 N HN 0.210 nan 8.380 nan 0.000 0.499 185 K N 3.120 123.614 120.400 0.157 0.000 2.185 185 K HA 0.229 4.549 4.320 -0.001 0.000 0.269 185 K C -0.660 176.064 176.600 0.206 0.000 0.987 185 K CA -0.996 55.389 56.287 0.163 0.000 0.865 185 K CB 1.339 33.940 32.500 0.168 0.000 1.090 185 K HN 0.483 nan 8.250 nan 0.000 0.450 186 L N 5.939 127.246 121.223 0.141 0.000 2.530 186 L HA 0.152 4.492 4.340 -0.001 0.000 0.273 186 L C -2.210 174.787 176.870 0.212 0.000 1.141 186 L CA -1.610 53.310 54.840 0.133 0.000 0.905 186 L CB -0.487 41.613 42.059 0.068 0.000 1.202 186 L HN 0.356 nan 8.230 nan 0.000 0.473 187 P HA 0.166 nan 4.420 nan 0.000 0.265 187 P C -0.701 176.712 177.300 0.190 0.000 1.193 187 P CA -0.026 63.234 63.100 0.266 0.000 0.765 187 P CB 0.561 32.352 31.700 0.152 0.000 0.823 188 L N 1.834 123.200 121.223 0.238 0.000 2.375 188 L HA 0.526 4.866 4.340 -0.001 0.000 0.268 188 L C 1.696 178.629 176.870 0.106 0.000 1.058 188 L CA 0.339 55.256 54.840 0.129 0.000 0.803 188 L CB 0.506 42.616 42.059 0.085 0.000 1.212 188 L HN 0.686 nan 8.230 nan 0.000 0.451 189 G N 1.783 110.617 108.800 0.057 0.000 2.698 189 G HA2 -0.421 3.539 3.960 -0.001 0.000 0.346 189 G HA3 -0.421 3.539 3.960 -0.001 0.000 0.346 189 G C 0.374 175.296 174.900 0.037 0.000 1.287 189 G CA 1.090 46.214 45.100 0.039 0.000 0.990 189 G HN 0.850 nan 8.290 nan 0.000 0.545 190 N N 1.366 120.083 118.700 0.028 0.000 2.480 190 N HA 0.558 5.298 4.740 -0.001 0.000 0.281 190 N C 0.256 175.740 175.510 -0.043 0.000 1.381 190 N CA 0.006 53.053 53.050 -0.004 0.000 0.903 190 N CB 1.087 39.577 38.487 0.005 0.000 1.274 190 N HN 0.777 nan 8.380 nan 0.000 0.505 191 A N 0.508 123.334 122.820 0.010 0.000 2.386 191 A HA 0.435 4.755 4.320 -0.001 0.000 0.248 191 A C 0.311 177.764 177.584 -0.218 0.000 1.082 191 A CA 0.441 52.468 52.037 -0.017 0.000 0.789 191 A CB 0.482 19.622 19.000 0.233 0.000 1.025 191 A HN 0.124 nan 8.150 nan 0.000 0.490 192 T N 1.411 115.665 114.554 -0.501 0.000 2.841 192 T HA 0.379 4.729 4.350 -0.001 0.000 0.285 192 T C -0.430 173.655 174.700 -1.025 0.000 0.991 192 T CA -0.243 61.482 62.100 -0.624 0.000 0.966 192 T CB 1.149 69.675 68.868 -0.570 0.000 0.962 192 T HN 0.718 nan 8.240 nan 0.000 0.438 193 Q N 3.403 122.564 119.800 -1.065 0.000 2.307 193 Q HA 0.451 4.791 4.340 -0.001 0.000 0.259 193 Q C -0.760 175.006 176.000 -0.391 0.000 0.998 193 Q CA -0.487 54.646 55.803 -1.117 0.000 0.923 193 Q CB 0.466 28.844 28.738 -0.601 0.000 1.196 193 Q HN 0.465 nan 8.270 nan 0.000 0.416 194 V N 4.721 124.506 119.914 -0.215 0.000 2.465 194 V HA 0.056 4.175 4.120 -0.001 0.000 0.279 194 V C 0.899 177.008 176.094 0.024 0.000 1.045 194 V CA -0.563 61.714 62.300 -0.039 0.000 0.938 194 V CB 1.401 33.225 31.823 0.001 0.000 0.986 194 V HN 0.888 nan 8.190 nan 0.000 0.467 195 Q N 1.642 121.443 119.800 0.002 0.000 2.137 195 Q HA 0.031 4.371 4.340 -0.001 0.000 0.198 195 Q C 0.560 176.417 176.000 -0.239 0.000 0.960 195 Q CA 1.218 56.985 55.803 -0.060 0.000 0.847 195 Q CB 0.093 28.766 28.738 -0.110 0.000 0.915 195 Q HN 0.756 nan 8.270 nan 0.000 0.448 196 H N 0.087 119.092 119.070 -0.108 0.000 2.463 196 H HA 0.080 4.636 4.556 -0.001 0.000 0.332 196 H C 0.924 175.979 175.328 -0.455 0.000 1.127 196 H CA -0.417 55.488 56.048 -0.239 0.000 1.238 196 H CB 1.996 31.673 29.762 -0.141 0.000 1.478 196 H HN 0.016 nan 8.280 nan 0.000 0.499 197 L N 2.871 123.719 121.223 -0.625 0.000 2.156 197 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 197 L C 2.135 178.848 176.870 -0.261 0.000 1.095 197 L CA 1.473 55.895 54.840 -0.698 0.000 0.770 197 L CB -0.422 41.224 42.059 -0.688 0.000 0.914 197 L HN 0.615 nan 8.230 nan 0.000 0.439 198 S N -1.946 113.659 115.700 -0.158 0.000 2.481 198 S HA -0.083 4.387 4.470 -0.001 0.000 0.231 198 S C 1.480 176.027 174.600 -0.088 0.000 0.996 198 S CA 0.674 58.818 58.200 -0.094 0.000 0.942 198 S CB -0.531 62.626 63.200 -0.071 0.000 0.768 198 S HN 0.445 nan 8.310 nan 0.000 0.520 199 D N 2.278 122.623 120.400 -0.091 0.000 2.084 199 D HA -0.015 4.625 4.640 -0.001 0.000 0.199 199 D C 1.973 178.210 176.300 -0.106 0.000 0.981 199 D CA 1.029 54.974 54.000 -0.092 0.000 0.841 199 D CB -0.855 39.903 40.800 -0.069 0.000 0.997 199 D HN 0.354 nan 8.370 nan 0.000 0.454 200 L N 0.284 121.448 121.223 -0.098 0.000 2.034 200 L HA -0.258 4.082 4.340 -0.001 0.000 0.217 200 L C 2.194 179.028 176.870 -0.059 0.000 1.077 200 L CA 1.382 56.183 54.840 -0.066 0.000 0.769 200 L CB -0.268 41.791 42.059 -0.000 0.000 0.890 200 L HN -0.014 nan 8.230 nan 0.000 0.435 201 L N 0.078 121.268 121.223 -0.055 0.000 2.012 201 L HA -0.259 4.081 4.340 -0.001 0.000 0.210 201 L C 2.374 179.215 176.870 -0.049 0.000 1.073 201 L CA 1.887 56.705 54.840 -0.036 0.000 0.748 201 L CB -1.120 40.923 42.059 -0.027 0.000 0.891 201 L HN 0.405 nan 8.230 nan 0.000 0.431 202 N N -0.507 118.154 118.700 -0.065 0.000 2.188 202 N HA -0.173 4.567 4.740 -0.001 0.000 0.184 202 N C 1.814 177.264 175.510 -0.100 0.000 1.018 202 N CA 1.822 54.831 53.050 -0.069 0.000 0.858 202 N CB -0.094 38.349 38.487 -0.074 0.000 0.989 202 N HN 0.506 nan 8.380 nan 0.000 0.426 203 M N -0.798 118.716 119.600 -0.144 0.000 2.447 203 M HA 0.158 4.638 4.480 -0.001 0.000 0.264 203 M C 0.341 176.537 176.300 -0.174 0.000 1.095 203 M CA 0.713 55.887 55.300 -0.210 0.000 1.125 203 M CB 0.186 32.564 32.600 -0.369 0.000 1.389 203 M HN -0.279 nan 8.290 nan 0.000 0.459 204 S N 2.114 117.744 115.700 -0.117 0.000 2.489 204 S HA 0.126 4.596 4.470 -0.001 0.000 0.277 204 S C 0.346 174.910 174.600 -0.059 0.000 1.230 204 S CA -0.686 57.474 58.200 -0.066 0.000 1.053 204 S CB 1.156 64.347 63.200 -0.016 0.000 0.955 204 S HN 0.305 nan 8.310 nan 0.000 0.488 205 D N 1.519 121.889 120.400 -0.050 0.000 2.183 205 D HA 0.006 4.646 4.640 -0.001 0.000 0.203 205 D C 0.191 176.464 176.300 -0.045 0.000 0.969 205 D CA 1.178 55.135 54.000 -0.072 0.000 0.842 205 D CB 0.404 41.155 40.800 -0.080 0.000 0.957 205 D HN 0.264 nan 8.370 nan 0.000 0.484 206 V N 0.844 120.754 119.914 -0.007 0.000 2.841 206 V HA 0.304 4.423 4.120 -0.001 0.000 0.310 206 V C -0.189 175.921 176.094 0.028 0.000 1.090 206 V CA -0.849 61.455 62.300 0.006 0.000 0.930 206 V CB 2.783 34.620 31.823 0.023 0.000 1.014 206 V HN -0.300 nan 8.190 nan 0.000 0.425 207 V N 2.459 122.382 119.914 0.016 0.000 2.459 207 V HA 0.679 4.798 4.120 -0.001 0.000 0.295 207 V C 0.004 176.109 176.094 0.019 0.000 1.029 207 V CA -0.233 62.084 62.300 0.028 0.000 0.874 207 V CB 1.828 33.655 31.823 0.007 0.000 0.985 207 V HN 0.881 nan 8.190 nan 0.000 0.438 208 S N 4.719 120.442 115.700 0.039 0.000 2.521 208 S HA 0.777 5.247 4.470 -0.001 0.000 0.295 208 S C -0.946 173.557 174.600 -0.162 0.000 1.098 208 S CA -0.543 57.638 58.200 -0.032 0.000 0.999 208 S CB 0.975 64.246 63.200 0.117 0.000 1.034 208 S HN 0.551 nan 8.310 nan 0.000 0.483 209 L N 5.225 126.224 121.223 -0.372 0.000 2.295 209 L HA 0.564 4.904 4.340 -0.001 0.000 0.285 209 L C -0.142 176.274 176.870 -0.757 0.000 1.035 209 L CA -0.551 54.066 54.840 -0.371 0.000 0.806 209 L CB 0.999 42.939 42.059 -0.199 0.000 1.214 209 L HN 0.681 nan 8.230 nan 0.000 0.426 210 H N 3.478 122.558 119.070 0.018 0.000 2.616 210 H HA 0.347 4.902 4.556 -0.000 0.000 0.229 210 H C -0.780 174.550 175.328 0.003 0.000 1.418 210 H CA -0.172 55.879 56.048 0.005 0.000 1.248 210 H CB 0.943 30.705 29.762 -0.000 0.000 1.822 210 H HN 0.380 nan 8.280 nan 0.000 0.522 211 V N -0.960 118.983 119.914 0.048 0.000 2.960 211 V HA 0.720 4.840 4.120 -0.001 0.000 0.315 211 V C -2.542 173.574 176.094 0.036 0.000 1.087 211 V CA -2.489 59.831 62.300 0.034 0.000 0.982 211 V CB 2.873 34.702 31.823 0.009 0.000 1.039 211 V HN 0.037 nan 8.190 nan 0.000 0.437 212 P HA 0.260 nan 4.420 nan 0.000 0.276 212 P C -0.470 176.848 177.300 0.030 0.000 1.252 212 P CA -0.209 62.918 63.100 0.044 0.000 0.802 212 P CB 0.826 32.555 31.700 0.048 0.000 1.035 213 E N 0.837 121.056 120.200 0.031 0.000 2.325 213 E HA 0.040 4.389 4.350 -0.001 0.000 0.295 213 E C 0.071 176.686 176.600 0.024 0.000 1.461 213 E CA -0.384 56.032 56.400 0.026 0.000 1.698 213 E CB -0.721 28.996 29.700 0.029 0.000 1.496 213 E HN 0.386 nan 8.360 nan 0.000 0.474 214 N N -1.212 117.502 118.700 0.023 0.000 2.681 214 N HA 0.338 5.078 4.740 -0.001 0.000 0.311 214 N C -2.150 173.373 175.510 0.021 0.000 1.303 214 N CA -1.327 51.736 53.050 0.021 0.000 0.926 214 N CB 0.091 38.590 38.487 0.021 0.000 1.136 214 N HN -0.202 nan 8.380 nan 0.000 0.592 215 P HA 0.091 nan 4.420 nan 0.000 0.245 215 P C 0.527 177.841 177.300 0.024 0.000 1.206 215 P CA 0.472 63.585 63.100 0.021 0.000 0.781 215 P CB 0.056 31.768 31.700 0.020 0.000 0.994 216 S N -2.193 113.522 115.700 0.024 0.000 2.481 216 S HA -0.049 4.421 4.470 -0.001 0.000 0.231 216 S C 1.798 176.417 174.600 0.033 0.000 0.996 216 S CA 1.391 59.609 58.200 0.029 0.000 0.942 216 S CB -1.274 61.940 63.200 0.024 0.000 0.768 216 S HN 0.134 nan 8.310 nan 0.000 0.520 217 T N 0.384 114.953 114.554 0.026 0.000 3.001 217 T HA 0.249 4.598 4.350 -0.001 0.000 0.251 217 T C 0.401 175.114 174.700 0.023 0.000 1.040 217 T CA -0.367 61.748 62.100 0.025 0.000 0.985 217 T CB -0.299 68.579 68.868 0.018 0.000 1.011 217 T HN 0.433 nan 8.240 nan 0.000 0.509 218 K N 2.149 122.563 120.400 0.023 0.000 2.315 218 K HA 0.042 4.362 4.320 -0.001 0.000 0.281 218 K C -0.057 176.557 176.600 0.023 0.000 1.086 218 K CA 0.608 56.908 56.287 0.022 0.000 1.042 218 K CB -0.750 31.763 32.500 0.023 0.000 0.949 218 K HN 0.444 nan 8.250 nan 0.000 0.450 219 N N 2.760 121.472 118.700 0.021 0.000 2.869 219 N HA -0.222 4.518 4.740 -0.001 0.000 0.249 219 N C 0.647 176.171 175.510 0.024 0.000 1.104 219 N CA 0.741 53.803 53.050 0.021 0.000 0.760 219 N CB -0.976 37.525 38.487 0.023 0.000 1.108 219 N HN 0.763 nan 8.380 nan 0.000 0.555 220 M N -2.026 117.590 119.600 0.027 0.000 2.521 220 M HA -0.049 4.431 4.480 -0.001 0.000 0.260 220 M C 0.074 176.397 176.300 0.038 0.000 1.068 220 M CA 1.669 56.993 55.300 0.040 0.000 1.060 220 M CB 0.172 32.802 32.600 0.051 0.000 1.398 220 M HN 0.069 nan 8.290 nan 0.000 0.473 221 M N 2.140 121.755 119.600 0.025 0.000 2.016 221 M HA 0.488 4.968 4.480 -0.001 0.000 0.315 221 M C -0.151 176.160 176.300 0.018 0.000 0.930 221 M CA -0.166 55.145 55.300 0.020 0.000 0.899 221 M CB 0.914 33.520 32.600 0.009 0.000 1.401 221 M HN 0.299 nan 8.290 nan 0.000 0.386 222 G N 0.879 109.691 108.800 0.019 0.000 2.667 222 G HA2 0.657 4.617 3.960 -0.001 0.000 0.310 222 G HA3 0.657 4.617 3.960 -0.001 0.000 0.310 222 G C 0.762 175.673 174.900 0.017 0.000 1.259 222 G CA -0.049 45.062 45.100 0.018 0.000 1.019 222 G HN 0.657 nan 8.290 nan 0.000 0.496 223 A N -0.040 122.789 122.820 0.016 0.000 1.916 223 A HA -0.254 4.066 4.320 -0.001 0.000 0.224 223 A C 2.338 179.926 177.584 0.007 0.000 1.366 223 A CA 2.588 54.632 52.037 0.012 0.000 0.692 223 A CB -0.922 18.082 19.000 0.007 0.000 0.841 223 A HN 0.636 nan 8.150 nan 0.000 0.480 224 K N -0.859 119.543 120.400 0.004 0.000 1.974 224 K HA -0.277 4.042 4.320 -0.001 0.000 0.231 224 K C 1.860 178.463 176.600 0.004 0.000 1.035 224 K CA 2.400 58.687 56.287 -0.001 0.000 1.044 224 K CB -0.534 31.967 32.500 0.001 0.000 0.738 224 K HN 0.498 nan 8.250 nan 0.000 0.447 225 E N 0.525 120.732 120.200 0.010 0.000 2.169 225 E HA -0.204 4.146 4.350 -0.001 0.000 0.202 225 E C 1.948 178.564 176.600 0.027 0.000 1.016 225 E CA 1.702 58.111 56.400 0.014 0.000 0.817 225 E CB -0.188 29.523 29.700 0.018 0.000 0.736 225 E HN 0.409 nan 8.360 nan 0.000 0.462 226 I N 0.100 120.692 120.570 0.037 0.000 2.500 226 I HA -0.212 3.958 4.170 -0.001 0.000 0.252 226 I C 2.126 178.330 176.117 0.146 0.000 1.142 226 I CA 1.112 62.454 61.300 0.069 0.000 1.451 226 I CB -0.117 37.919 38.000 0.061 0.000 1.093 226 I HN 0.137 nan 8.210 nan 0.000 0.430 227 S N 0.612 116.357 115.700 0.074 0.000 2.453 227 S HA -0.045 4.424 4.470 -0.001 0.000 0.231 227 S C 1.950 176.571 174.600 0.034 0.000 1.005 227 S CA 0.493 58.680 58.200 -0.022 0.000 0.949 227 S CB -0.596 62.533 63.200 -0.118 0.000 0.774 227 S HN 0.391 nan 8.310 nan 0.000 0.510 228 L N 0.183 121.431 121.223 0.041 0.000 2.191 228 L HA 0.052 4.391 4.340 -0.001 0.000 0.212 228 L C 1.227 178.139 176.870 0.069 0.000 1.103 228 L CA 0.752 55.610 54.840 0.030 0.000 0.769 228 L CB -0.543 41.517 42.059 0.001 0.000 0.908 228 L HN 0.396 nan 8.230 nan 0.000 0.438 229 M N 0.020 119.696 119.600 0.126 0.000 2.240 229 M HA 0.052 4.532 4.480 -0.001 0.000 0.333 229 M C 0.527 176.869 176.300 0.070 0.000 1.110 229 M CA 0.291 55.628 55.300 0.062 0.000 1.173 229 M CB 0.550 33.150 32.600 -0.001 0.000 1.458 229 M HN -0.095 nan 8.290 nan 0.000 0.458 230 K N 2.881 123.265 120.400 -0.028 0.000 2.484 230 K HA 0.108 4.428 4.320 -0.001 0.000 0.280 230 K C -2.359 174.173 176.600 -0.113 0.000 1.013 230 K CA -1.228 55.036 56.287 -0.038 0.000 1.029 230 K CB 0.270 32.725 32.500 -0.075 0.000 0.902 230 K HN 0.179 nan 8.250 nan 0.000 0.481 231 P HA 0.016 nan 4.420 nan 0.000 0.268 231 P C 0.159 177.394 177.300 -0.107 0.000 1.205 231 P CA 0.489 63.545 63.100 -0.073 0.000 0.771 231 P CB 0.759 32.530 31.700 0.119 0.000 0.858 232 G N 1.205 109.921 108.800 -0.139 0.000 2.159 232 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.256 232 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.256 232 G C 0.448 175.289 174.900 -0.098 0.000 0.977 232 G CA 0.395 45.450 45.100 -0.074 0.000 0.652 232 G HN 0.774 nan 8.290 nan 0.000 0.531 233 S N -0.740 114.859 115.700 -0.167 0.000 2.652 233 S HA 0.818 5.288 4.470 -0.001 0.000 0.267 233 S C 0.080 174.620 174.600 -0.100 0.000 1.201 233 S CA -0.510 57.613 58.200 -0.128 0.000 0.996 233 S CB 1.615 64.733 63.200 -0.137 0.000 1.054 233 S HN 0.789 nan 8.310 nan 0.000 0.561 234 L N 0.404 121.585 121.223 -0.069 0.000 2.386 234 L HA 0.584 4.923 4.340 -0.001 0.000 0.271 234 L C -1.248 175.596 176.870 -0.043 0.000 0.993 234 L CA -0.863 53.948 54.840 -0.049 0.000 0.819 234 L CB 1.806 43.854 42.059 -0.019 0.000 1.294 234 L HN 0.522 nan 8.230 nan 0.000 0.414 235 L N 4.148 125.343 121.223 -0.047 0.000 2.305 235 L HA 0.597 4.937 4.340 -0.001 0.000 0.284 235 L C -0.811 176.034 176.870 -0.042 0.000 1.013 235 L CA -0.032 54.782 54.840 -0.044 0.000 0.819 235 L CB 1.289 43.317 42.059 -0.052 0.000 1.227 235 L HN 0.404 nan 8.230 nan 0.000 0.417 236 I N 4.689 125.232 120.570 -0.044 0.000 2.382 236 I HA 0.352 4.521 4.170 -0.001 0.000 0.286 236 I C -0.538 175.516 176.117 -0.105 0.000 1.002 236 I CA -0.442 60.825 61.300 -0.054 0.000 1.135 236 I CB 1.532 39.520 38.000 -0.021 0.000 1.288 236 I HN 0.579 nan 8.210 nan 0.000 0.448 237 N N 5.634 124.260 118.700 -0.124 0.000 2.518 237 N HA 0.581 5.321 4.740 -0.001 0.000 0.254 237 N C -0.537 174.859 175.510 -0.189 0.000 0.979 237 N CA -0.329 52.616 53.050 -0.174 0.000 0.930 237 N CB 1.551 39.934 38.487 -0.173 0.000 1.152 237 N HN 0.644 nan 8.380 nan 0.000 0.505 238 A N 2.413 125.131 122.820 -0.171 0.000 2.812 238 A HA 0.323 4.642 4.320 -0.001 0.000 0.294 238 A C 0.741 178.265 177.584 -0.100 0.000 1.014 238 A CA -0.250 51.704 52.037 -0.138 0.000 1.024 238 A CB -0.423 18.544 19.000 -0.055 0.000 1.162 238 A HN 0.618 nan 8.150 nan 0.000 0.511 239 S N -0.234 115.386 115.700 -0.133 0.000 2.612 239 S HA 0.453 4.923 4.470 -0.001 0.000 0.193 239 S C 0.671 175.221 174.600 -0.083 0.000 0.898 239 S CA -0.050 58.113 58.200 -0.061 0.000 0.872 239 S CB 0.172 63.345 63.200 -0.046 0.000 0.843 239 S HN 0.338 nan 8.310 nan 0.000 0.611 240 R N 0.348 120.794 120.500 -0.089 0.000 2.744 240 R HA 0.572 4.911 4.340 -0.001 0.000 0.279 240 R C 0.965 177.215 176.300 -0.085 0.000 0.977 240 R CA -0.234 55.828 56.100 -0.063 0.000 0.906 240 R CB 0.996 31.288 30.300 -0.013 0.000 1.197 240 R HN 0.478 nan 8.270 nan 0.000 0.463 241 G N -0.213 108.555 108.800 -0.052 0.000 2.559 241 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 241 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 241 G C 0.916 175.818 174.900 0.002 0.000 1.126 241 G CA 1.327 46.407 45.100 -0.033 0.000 0.778 241 G HN 0.622 nan 8.290 nan 0.000 0.543 242 T N -2.718 111.839 114.554 0.006 0.000 3.069 242 T HA 0.196 4.546 4.350 -0.001 0.000 0.252 242 T C 1.955 176.660 174.700 0.007 0.000 1.053 242 T CA 0.459 62.571 62.100 0.019 0.000 0.964 242 T CB 0.542 69.426 68.868 0.026 0.000 1.005 242 T HN -0.052 nan 8.240 nan 0.000 0.532 243 V N 1.153 121.059 119.914 -0.012 0.000 2.871 243 V HA 0.167 4.287 4.120 -0.001 0.000 0.256 243 V C 0.932 177.019 176.094 -0.010 0.000 1.082 243 V CA 0.546 62.838 62.300 -0.013 0.000 1.105 243 V CB -0.087 31.717 31.823 -0.031 0.000 0.713 243 V HN 0.444 nan 8.190 nan 0.000 0.473 244 V N 0.585 120.490 119.914 -0.015 0.000 2.656 244 V HA 0.358 4.478 4.120 -0.001 0.000 0.307 244 V C -0.735 175.367 176.094 0.013 0.000 1.051 244 V CA -0.864 61.431 62.300 -0.008 0.000 0.893 244 V CB 1.998 33.803 31.823 -0.031 0.000 0.999 244 V HN 0.371 nan 8.190 nan 0.000 0.426 245 D N 4.595 125.007 120.400 0.019 0.000 2.483 245 D HA 0.168 4.808 4.640 -0.001 0.000 0.220 245 D C 1.136 177.459 176.300 0.038 0.000 1.173 245 D CA -0.311 53.707 54.000 0.030 0.000 0.964 245 D CB 0.475 41.291 40.800 0.026 0.000 1.046 245 D HN 0.219 nan 8.370 nan 0.000 0.517 246 I N 4.864 125.468 120.570 0.057 0.000 2.091 246 I HA -0.233 3.937 4.170 -0.001 0.000 0.240 246 I C -0.541 175.616 176.117 0.067 0.000 1.046 246 I CA 0.979 62.326 61.300 0.079 0.000 1.306 246 I CB -2.243 35.831 38.000 0.124 0.000 1.018 246 I HN 0.425 nan 8.210 nan 0.000 0.404 247 P HA -0.122 nan 4.420 nan 0.000 0.218 247 P C 1.668 178.998 177.300 0.050 0.000 1.148 247 P CA 2.114 65.252 63.100 0.063 0.000 0.822 247 P CB -0.103 31.628 31.700 0.051 0.000 0.784 248 A N 0.110 122.952 122.820 0.037 0.000 1.849 248 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 248 A C 2.160 179.756 177.584 0.020 0.000 1.202 248 A CA 2.081 54.135 52.037 0.028 0.000 0.629 248 A CB -1.785 17.229 19.000 0.024 0.000 0.834 248 A HN 0.225 nan 8.150 nan 0.000 0.447 249 L N -0.130 121.098 121.223 0.009 0.000 2.043 249 L HA -0.130 4.209 4.340 -0.001 0.000 0.212 249 L C 2.566 179.391 176.870 -0.075 0.000 1.075 249 L CA 2.477 57.301 54.840 -0.026 0.000 0.752 249 L CB -0.943 41.098 42.059 -0.030 0.000 0.891 249 L HN 0.385 nan 8.230 nan 0.000 0.432 250 A N -0.486 122.320 122.820 -0.023 0.000 1.892 250 A HA -0.278 4.042 4.320 -0.001 0.000 0.218 250 A C 1.973 179.576 177.584 0.031 0.000 1.188 250 A CA 2.063 54.103 52.037 0.005 0.000 0.631 250 A CB -1.056 18.058 19.000 0.190 0.000 0.822 250 A HN 0.577 nan 8.150 nan 0.000 0.447 251 D N 0.021 120.452 120.400 0.052 0.000 2.103 251 D HA -0.127 4.513 4.640 -0.001 0.000 0.190 251 D C 2.221 178.544 176.300 0.038 0.000 0.997 251 D CA 2.009 56.044 54.000 0.059 0.000 0.833 251 D CB -0.585 40.241 40.800 0.044 0.000 0.961 251 D HN 0.441 nan 8.370 nan 0.000 0.447 252 A N 0.105 122.934 122.820 0.016 0.000 2.015 252 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 252 A C 2.021 179.601 177.584 -0.008 0.000 1.163 252 A CA 0.735 52.800 52.037 0.047 0.000 0.646 252 A CB -0.403 18.646 19.000 0.082 0.000 0.806 252 A HN 0.140 nan 8.150 nan 0.000 0.448 253 L N -0.848 120.290 121.223 -0.141 0.000 2.156 253 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 253 L C 2.772 179.580 176.870 -0.104 0.000 1.095 253 L CA 1.766 56.434 54.840 -0.287 0.000 0.770 253 L CB -1.163 40.406 42.059 -0.817 0.000 0.914 253 L HN 0.410 nan 8.230 nan 0.000 0.439 254 A N -1.212 121.647 122.820 0.065 0.000 1.935 254 A HA -0.108 4.211 4.320 -0.001 0.000 0.214 254 A C 2.372 180.032 177.584 0.126 0.000 1.178 254 A CA 1.184 53.356 52.037 0.224 0.000 0.640 254 A CB -0.692 18.482 19.000 0.291 0.000 0.825 254 A HN 0.489 nan 8.150 nan 0.000 0.447 255 S N -0.367 115.389 115.700 0.093 0.000 2.488 255 S HA -0.238 4.232 4.470 -0.001 0.000 0.246 255 S C 1.063 175.716 174.600 0.089 0.000 0.992 255 S CA 1.734 59.983 58.200 0.082 0.000 0.963 255 S CB -0.561 62.687 63.200 0.079 0.000 0.754 255 S HN 0.543 nan 8.310 nan 0.000 0.519 256 K N -1.074 119.372 120.400 0.076 0.000 3.274 256 K HA -0.302 4.017 4.320 -0.001 0.000 0.305 256 K C 0.765 177.402 176.600 0.063 0.000 1.225 256 K CA 1.068 57.389 56.287 0.057 0.000 0.904 256 K CB -2.009 30.529 32.500 0.063 0.000 1.227 256 K HN 0.732 nan 8.250 nan 0.000 0.453 257 H N 0.235 119.301 119.070 -0.006 0.000 2.390 257 H HA 0.003 4.559 4.556 -0.000 0.000 0.298 257 H C 0.336 175.653 175.328 -0.020 0.000 1.106 257 H CA 1.862 57.903 56.048 -0.012 0.000 1.297 257 H CB 0.223 29.976 29.762 -0.015 0.000 1.375 257 H HN 0.225 nan 8.280 nan 0.000 0.509 258 L N -0.652 120.463 121.223 -0.180 0.000 2.331 258 L HA 0.430 4.770 4.340 -0.001 0.000 0.275 258 L C 1.294 178.098 176.870 -0.110 0.000 1.022 258 L CA -0.255 54.462 54.840 -0.205 0.000 0.812 258 L CB 1.829 43.784 42.059 -0.173 0.000 1.257 258 L HN 0.096 nan 8.230 nan 0.000 0.435 259 A N 1.763 124.533 122.820 -0.084 0.000 1.975 259 A HA 0.517 4.836 4.320 -0.001 0.000 0.215 259 A C 0.860 178.426 177.584 -0.030 0.000 1.170 259 A CA 1.060 53.079 52.037 -0.030 0.000 0.656 259 A CB -0.033 18.971 19.000 0.007 0.000 0.821 259 A HN 0.894 nan 8.150 nan 0.000 0.449 260 G N -3.089 105.679 108.800 -0.053 0.000 2.341 260 G HA2 0.651 4.610 3.960 -0.001 0.000 0.299 260 G HA3 0.651 4.610 3.960 -0.001 0.000 0.299 260 G C -1.233 173.636 174.900 -0.052 0.000 1.274 260 G CA 0.098 45.169 45.100 -0.048 0.000 0.853 260 G HN 1.499 nan 8.290 nan 0.000 0.493 261 A N -1.817 120.985 122.820 -0.028 0.000 2.583 261 A HA 0.994 5.314 4.320 -0.001 0.000 0.292 261 A C -0.879 176.706 177.584 0.003 0.000 1.045 261 A CA 0.450 52.471 52.037 -0.026 0.000 0.672 261 A CB 0.901 19.871 19.000 -0.048 0.000 1.283 261 A HN 2.555 nan 8.150 nan 0.000 0.419 262 A N 1.047 123.864 122.820 -0.005 0.000 2.374 262 A HA 0.759 5.079 4.320 -0.001 0.000 0.305 262 A C -1.156 176.406 177.584 -0.036 0.000 1.053 262 A CA -0.360 51.678 52.037 0.003 0.000 0.726 262 A CB 0.829 19.831 19.000 0.004 0.000 1.229 262 A HN 0.922 nan 8.150 nan 0.000 0.431 263 I N 2.546 123.095 120.570 -0.036 0.000 2.478 263 I HA 0.270 4.439 4.170 -0.001 0.000 0.287 263 I C -0.119 175.850 176.117 -0.247 0.000 1.042 263 I CA -0.087 61.100 61.300 -0.189 0.000 1.067 263 I CB 1.680 39.563 38.000 -0.195 0.000 1.233 263 I HN 0.917 nan 8.210 nan 0.000 0.431 264 D N 4.914 125.127 120.400 -0.311 0.000 2.407 264 D HA 0.153 4.793 4.640 -0.001 0.000 0.208 264 D C -0.095 175.988 176.300 -0.360 0.000 1.083 264 D CA 0.349 54.221 54.000 -0.213 0.000 0.844 264 D CB 0.846 41.566 40.800 -0.133 0.000 0.967 264 D HN 0.294 nan 8.370 nan 0.000 0.506 265 V N -1.852 117.659 119.914 -0.672 0.000 2.925 265 V HA 0.742 4.862 4.120 -0.001 0.000 0.311 265 V C -1.101 174.497 176.094 -0.827 0.000 1.104 265 V CA -1.033 60.923 62.300 -0.573 0.000 0.954 265 V CB 1.435 32.992 31.823 -0.443 0.000 1.022 265 V HN -0.099 nan 8.190 nan 0.000 0.427 266 F N 1.930 121.924 119.950 0.073 0.000 2.599 266 F HA 0.715 5.242 4.527 -0.000 0.000 0.311 266 F C -1.625 174.219 175.800 0.074 0.000 1.076 266 F CA -2.245 55.808 58.000 0.088 0.000 0.937 266 F CB 1.945 41.030 39.000 0.143 0.000 1.282 266 F HN 0.324 nan 8.300 nan 0.000 0.460 267 P HA -0.141 nan 4.420 nan 0.000 0.217 267 P C 0.175 177.562 177.300 0.145 0.000 1.148 267 P CA 1.515 64.698 63.100 0.139 0.000 0.834 267 P CB 0.179 31.944 31.700 0.108 0.000 0.783 268 T N 0.612 115.271 114.554 0.175 0.000 2.848 268 T HA 0.393 4.743 4.350 -0.001 0.000 0.285 268 T C -0.657 174.145 174.700 0.170 0.000 0.995 268 T CA -0.470 61.707 62.100 0.128 0.000 0.970 268 T CB 2.000 70.906 68.868 0.063 0.000 0.976 268 T HN -0.069 nan 8.240 nan 0.000 0.441 269 E N 2.544 122.842 120.200 0.163 0.000 2.293 269 E HA 0.444 4.794 4.350 -0.001 0.000 0.270 269 E C -2.520 174.160 176.600 0.132 0.000 0.879 269 E CA -2.169 54.347 56.400 0.194 0.000 0.756 269 E CB 1.639 31.498 29.700 0.265 0.000 1.208 269 E HN 0.333 nan 8.360 nan 0.000 0.428 270 P HA -0.057 nan 4.420 nan 0.000 0.264 270 P C -0.269 177.081 177.300 0.084 0.000 1.183 270 P CA 0.276 63.435 63.100 0.100 0.000 0.763 270 P CB 0.755 32.525 31.700 0.117 0.000 0.807 271 A N 2.580 125.439 122.820 0.065 0.000 1.903 271 A HA 0.069 4.389 4.320 -0.001 0.000 0.213 271 A C 1.150 178.766 177.584 0.053 0.000 1.185 271 A CA 1.756 53.829 52.037 0.061 0.000 0.628 271 A CB -0.751 18.286 19.000 0.061 0.000 0.830 271 A HN 0.622 nan 8.150 nan 0.000 0.446 272 T N -4.470 110.112 114.554 0.047 0.000 2.841 272 T HA 0.379 4.729 4.350 -0.001 0.000 0.276 272 T C 0.299 175.022 174.700 0.038 0.000 1.003 272 T CA -0.464 61.660 62.100 0.039 0.000 0.995 272 T CB 0.791 69.679 68.868 0.033 0.000 1.260 272 T HN 0.017 nan 8.240 nan 0.000 0.581 273 N N -0.148 118.569 118.700 0.029 0.000 2.398 273 N HA 0.153 4.893 4.740 -0.001 0.000 0.188 273 N C 1.373 176.898 175.510 0.025 0.000 1.122 273 N CA 0.201 53.267 53.050 0.026 0.000 0.866 273 N CB -0.022 38.475 38.487 0.017 0.000 0.970 273 N HN 0.580 nan 8.380 nan 0.000 0.462 274 S N -0.280 115.434 115.700 0.024 0.000 2.503 274 S HA 0.091 4.560 4.470 -0.001 0.000 0.215 274 S C 0.358 174.973 174.600 0.026 0.000 1.003 274 S CA -0.205 58.007 58.200 0.021 0.000 0.910 274 S CB 0.574 63.783 63.200 0.015 0.000 0.790 274 S HN 0.194 nan 8.310 nan 0.000 0.514 275 D N 3.696 124.115 120.400 0.032 0.000 2.414 275 D HA 0.194 4.834 4.640 -0.001 0.000 0.242 275 D C -2.194 174.136 176.300 0.050 0.000 1.129 275 D CA -0.936 53.086 54.000 0.036 0.000 0.885 275 D CB 0.604 41.428 40.800 0.041 0.000 1.198 275 D HN 0.165 nan 8.370 nan 0.000 0.437 276 P HA 0.150 nan 4.420 nan 0.000 0.274 276 P C -0.750 176.608 177.300 0.097 0.000 1.231 276 P CA -0.392 62.743 63.100 0.059 0.000 0.790 276 P CB 0.591 32.304 31.700 0.022 0.000 0.951 277 F N 0.787 120.704 119.950 -0.055 0.000 2.458 277 F HA 0.609 5.136 4.527 -0.000 0.000 0.330 277 F C -0.732 175.002 175.800 -0.110 0.000 1.082 277 F CA -0.120 57.821 58.000 -0.099 0.000 0.995 277 F CB 2.046 40.973 39.000 -0.121 0.000 1.170 277 F HN 0.186 nan 8.300 nan 0.000 0.478 278 T N 4.042 117.910 114.554 -1.142 0.000 3.109 278 T HA 0.501 4.851 4.350 -0.001 0.000 0.311 278 T C -1.588 172.471 174.700 -1.068 0.000 1.011 278 T CA -0.559 61.022 62.100 -0.866 0.000 1.026 278 T CB 1.181 69.818 68.868 -0.385 0.000 1.047 278 T HN 0.760 nan 8.240 nan 0.000 0.448 279 S N 2.878 118.096 115.700 -0.803 0.000 2.570 279 S HA 0.648 5.118 4.470 -0.001 0.000 0.270 279 S C -2.010 172.500 174.600 -0.151 0.000 1.149 279 S CA -1.191 56.756 58.200 -0.421 0.000 0.837 279 S CB 1.814 64.796 63.200 -0.364 0.000 1.124 279 S HN 0.449 nan 8.310 nan 0.000 0.465 280 P HA 0.118 nan 4.420 nan 0.000 0.224 280 P C 1.416 178.815 177.300 0.165 0.000 1.157 280 P CA 0.559 63.689 63.100 0.051 0.000 0.799 280 P CB -0.041 31.710 31.700 0.086 0.000 0.809 281 L N -0.015 121.349 121.223 0.236 0.000 2.261 281 L HA -0.100 4.239 4.340 -0.001 0.000 0.216 281 L C 2.516 179.595 176.870 0.348 0.000 1.114 281 L CA 1.099 56.175 54.840 0.393 0.000 0.777 281 L CB -1.201 41.060 42.059 0.337 0.000 0.910 281 L HN -0.070 nan 8.230 nan 0.000 0.440 282 A N -0.262 122.687 122.820 0.214 0.000 2.272 282 A HA -0.184 4.136 4.320 -0.001 0.000 0.213 282 A C 1.990 179.623 177.584 0.080 0.000 1.183 282 A CA 1.400 53.543 52.037 0.176 0.000 0.719 282 A CB -0.396 18.688 19.000 0.140 0.000 0.771 282 A HN 0.539 nan 8.150 nan 0.000 0.484 283 E N -1.770 118.428 120.200 -0.004 0.000 2.498 283 E HA 0.154 4.504 4.350 -0.001 0.000 0.203 283 E C -0.965 175.450 176.600 -0.308 0.000 1.013 283 E CA -0.352 55.931 56.400 -0.194 0.000 0.927 283 E CB 0.275 29.783 29.700 -0.320 0.000 1.012 283 E HN 0.661 nan 8.360 nan 0.000 0.482 284 F N 1.741 121.725 119.950 0.056 0.000 2.350 284 F HA 0.147 4.674 4.527 -0.000 0.000 0.365 284 F C 1.129 176.960 175.800 0.052 0.000 1.122 284 F CA -0.710 57.321 58.000 0.052 0.000 1.139 284 F CB 0.914 39.947 39.000 0.055 0.000 1.220 284 F HN -0.158 nan 8.300 nan 0.000 0.499 285 D N 1.400 121.906 120.400 0.176 0.000 2.271 285 D HA -0.188 4.451 4.640 -0.001 0.000 0.207 285 D C 1.424 177.803 176.300 0.132 0.000 0.983 285 D CA 1.170 55.246 54.000 0.126 0.000 0.878 285 D CB -0.078 40.776 40.800 0.089 0.000 0.920 285 D HN 0.521 nan 8.370 nan 0.000 0.479 286 N N 0.556 119.356 118.700 0.168 0.000 2.313 286 N HA -0.022 4.717 4.740 -0.001 0.000 0.207 286 N C -0.308 175.256 175.510 0.089 0.000 1.141 286 N CA 0.005 53.120 53.050 0.109 0.000 0.830 286 N CB 0.559 39.100 38.487 0.089 0.000 1.008 286 N HN -0.073 nan 8.380 nan 0.000 0.481 287 V N 1.417 121.409 119.914 0.131 0.000 2.448 287 V HA 0.336 4.456 4.120 -0.001 0.000 0.295 287 V C 0.193 176.351 176.094 0.108 0.000 1.025 287 V CA -0.866 61.498 62.300 0.107 0.000 0.859 287 V CB 2.172 34.081 31.823 0.143 0.000 0.988 287 V HN 0.116 nan 8.190 nan 0.000 0.431 288 L N 5.542 126.812 121.223 0.078 0.000 2.313 288 L HA 0.331 4.671 4.340 -0.001 0.000 0.282 288 L C -0.791 176.137 176.870 0.097 0.000 1.092 288 L CA -0.328 54.553 54.840 0.069 0.000 0.831 288 L CB 0.876 42.962 42.059 0.044 0.000 1.159 288 L HN 0.389 nan 8.230 nan 0.000 0.442 289 L N 4.266 125.552 121.223 0.106 0.000 2.294 289 L HA 0.451 4.791 4.340 -0.001 0.000 0.283 289 L C 0.213 177.121 176.870 0.063 0.000 1.015 289 L CA -0.129 54.807 54.840 0.161 0.000 0.831 289 L CB 1.470 43.617 42.059 0.147 0.000 1.217 289 L HN 0.562 nan 8.230 nan 0.000 0.420 290 T N 1.044 115.662 114.554 0.106 0.000 2.887 290 T HA 0.597 4.946 4.350 -0.001 0.000 0.288 290 T C -2.596 172.169 174.700 0.108 0.000 1.021 290 T CA -2.121 60.008 62.100 0.048 0.000 1.000 290 T CB 1.852 70.740 68.868 0.034 0.000 1.034 290 T HN 0.277 nan 8.240 nan 0.000 0.467 291 P HA 0.148 nan 4.420 nan 0.000 0.232 291 P C 0.024 177.457 177.300 0.223 0.000 1.738 291 P CA 0.122 63.287 63.100 0.108 0.000 0.948 291 P CB -1.361 30.348 31.700 0.016 0.000 1.943 292 H N 1.237 120.371 119.070 0.106 0.000 2.677 292 H HA -0.135 4.420 4.556 -0.001 0.000 0.321 292 H C 0.520 175.876 175.328 0.046 0.000 1.171 292 H CA -0.033 56.057 56.048 0.070 0.000 1.139 292 H CB -0.811 29.007 29.762 0.093 0.000 1.515 292 H HN 0.401 nan 8.280 nan 0.000 0.423 293 I N -2.896 117.780 120.570 0.175 0.000 3.936 293 I HA 0.345 4.514 4.170 -0.001 0.000 0.330 293 I C 1.917 178.094 176.117 0.100 0.000 1.509 293 I CA 0.400 61.775 61.300 0.125 0.000 1.126 293 I CB 0.234 38.279 38.000 0.076 0.000 1.115 293 I HN 0.340 nan 8.210 nan 0.000 0.424 294 G N 2.153 111.013 108.800 0.099 0.000 2.503 294 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.221 294 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.221 294 G C 1.306 176.250 174.900 0.073 0.000 1.131 294 G CA 1.135 46.273 45.100 0.064 0.000 0.756 294 G HN 0.587 nan 8.290 nan 0.000 0.572 295 G N -0.805 108.056 108.800 0.101 0.000 3.324 295 G HA2 0.336 4.296 3.960 -0.001 0.000 0.251 295 G HA3 0.336 4.296 3.960 -0.001 0.000 0.251 295 G C 0.391 175.331 174.900 0.067 0.000 1.072 295 G CA 0.126 45.273 45.100 0.079 0.000 0.787 295 G HN 0.245 nan 8.290 nan 0.000 0.537 296 S N 1.714 117.456 115.700 0.071 0.000 3.483 296 S HA 0.461 4.930 4.470 -0.001 0.000 0.274 296 S C 0.328 174.959 174.600 0.052 0.000 1.289 296 S CA -0.253 57.983 58.200 0.060 0.000 0.938 296 S CB 0.145 63.382 63.200 0.061 0.000 1.453 296 S HN 0.584 nan 8.310 nan 0.000 0.494 297 T N -0.236 114.348 114.554 0.050 0.000 2.865 297 T HA 0.400 4.750 4.350 -0.001 0.000 0.294 297 T C 0.753 175.490 174.700 0.062 0.000 1.119 297 T CA -0.845 61.284 62.100 0.048 0.000 1.007 297 T CB 1.124 70.014 68.868 0.035 0.000 1.225 297 T HN 0.066 nan 8.240 nan 0.000 0.515 298 Q N 0.486 120.330 119.800 0.073 0.000 2.084 298 Q HA -0.080 4.260 4.340 -0.001 0.000 0.202 298 Q C 1.931 177.968 176.000 0.061 0.000 0.978 298 Q CA 1.883 57.758 55.803 0.120 0.000 0.844 298 Q CB -0.452 28.371 28.738 0.141 0.000 0.898 298 Q HN 0.809 nan 8.270 nan 0.000 0.426 299 E N 0.747 120.958 120.200 0.018 0.000 2.110 299 E HA -0.113 4.237 4.350 -0.001 0.000 0.193 299 E C 1.848 178.418 176.600 -0.051 0.000 0.988 299 E CA 1.211 57.589 56.400 -0.036 0.000 0.804 299 E CB -0.320 29.369 29.700 -0.018 0.000 0.745 299 E HN 0.373 nan 8.360 nan 0.000 0.458 300 A N 0.896 123.710 122.820 -0.010 0.000 1.877 300 A HA -0.249 4.071 4.320 -0.001 0.000 0.216 300 A C 2.050 179.632 177.584 -0.004 0.000 1.186 300 A CA 1.390 53.425 52.037 -0.002 0.000 0.620 300 A CB -0.480 18.534 19.000 0.022 0.000 0.822 300 A HN 0.110 nan 8.150 nan 0.000 0.443 301 Q N -0.541 119.278 119.800 0.030 0.000 2.197 301 Q HA -0.233 4.107 4.340 -0.001 0.000 0.207 301 Q C 1.910 177.890 176.000 -0.034 0.000 0.984 301 Q CA 1.867 57.719 55.803 0.082 0.000 0.869 301 Q CB -0.339 28.522 28.738 0.205 0.000 0.906 301 Q HN 0.931 nan 8.270 nan 0.000 0.426 302 E N 0.236 120.256 120.200 -0.301 0.000 2.072 302 E HA -0.142 4.208 4.350 -0.001 0.000 0.190 302 E C 1.411 177.881 176.600 -0.217 0.000 0.982 302 E CA 0.749 56.796 56.400 -0.588 0.000 0.803 302 E CB 0.198 29.472 29.700 -0.710 0.000 0.755 302 E HN 0.276 nan 8.360 nan 0.000 0.453 303 N N 1.036 119.657 118.700 -0.131 0.000 2.084 303 N HA -0.157 4.583 4.740 -0.001 0.000 0.190 303 N C 2.008 177.491 175.510 -0.046 0.000 1.030 303 N CA 1.315 54.322 53.050 -0.072 0.000 0.849 303 N CB -0.332 38.124 38.487 -0.051 0.000 1.012 303 N HN 0.300 nan 8.380 nan 0.000 0.423 304 I N 0.773 121.333 120.570 -0.016 0.000 2.226 304 I HA -0.171 3.999 4.170 -0.001 0.000 0.245 304 I C 2.447 178.619 176.117 0.092 0.000 1.100 304 I CA 1.187 62.489 61.300 0.002 0.000 1.374 304 I CB -0.859 37.184 38.000 0.072 0.000 1.057 304 I HN 0.145 nan 8.210 nan 0.000 0.413 305 G N 1.550 110.472 108.800 0.202 0.000 2.545 305 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.217 305 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.217 305 G C 1.684 176.683 174.900 0.165 0.000 1.218 305 G CA 0.805 46.086 45.100 0.301 0.000 0.787 305 G HN 0.273 nan 8.290 nan 0.000 0.571 306 L N 0.120 121.355 121.223 0.020 0.000 2.127 306 L HA -0.060 4.280 4.340 -0.001 0.000 0.211 306 L C 2.771 179.602 176.870 -0.065 0.000 1.089 306 L CA 1.782 56.606 54.840 -0.027 0.000 0.757 306 L CB -0.194 41.835 42.059 -0.050 0.000 0.899 306 L HN 0.461 nan 8.230 nan 0.000 0.434 307 E N -0.591 119.548 120.200 -0.101 0.000 2.057 307 E HA -0.116 4.234 4.350 -0.001 0.000 0.190 307 E C 2.150 178.594 176.600 -0.261 0.000 0.969 307 E CA 0.818 57.125 56.400 -0.156 0.000 0.812 307 E CB 0.218 29.832 29.700 -0.143 0.000 0.777 307 E HN 0.204 nan 8.360 nan 0.000 0.455 308 V N 1.480 121.135 119.914 -0.432 0.000 2.548 308 V HA -0.154 3.965 4.120 -0.001 0.000 0.249 308 V C 2.434 178.228 176.094 -0.500 0.000 1.055 308 V CA 1.520 63.402 62.300 -0.696 0.000 1.065 308 V CB -0.626 30.397 31.823 -1.334 0.000 0.681 308 V HN 0.406 nan 8.190 nan 0.000 0.462 309 A N 1.056 123.774 122.820 -0.170 0.000 1.877 309 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 309 A C 2.474 179.964 177.584 -0.157 0.000 1.186 309 A CA 2.005 54.047 52.037 0.009 0.000 0.620 309 A CB -1.385 17.663 19.000 0.081 0.000 0.822 309 A HN 0.502 nan 8.150 nan 0.000 0.443 310 G N -0.314 108.391 108.800 -0.158 0.000 2.513 310 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.219 310 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.219 310 G C 1.700 176.459 174.900 -0.236 0.000 1.160 310 G CA 1.352 46.354 45.100 -0.164 0.000 0.767 310 G HN 0.583 nan 8.290 nan 0.000 0.571 311 K N -0.298 119.894 120.400 -0.347 0.000 2.097 311 K HA 0.105 4.424 4.320 -0.001 0.000 0.206 311 K C 2.566 178.745 176.600 -0.703 0.000 1.049 311 K CA 0.685 56.620 56.287 -0.587 0.000 0.933 311 K CB -0.240 31.772 32.500 -0.813 0.000 0.717 311 K HN 0.281 nan 8.250 nan 0.000 0.442 312 L N 0.577 121.495 121.223 -0.508 0.000 2.027 312 L HA -0.181 4.158 4.340 -0.001 0.000 0.206 312 L C 2.303 179.003 176.870 -0.283 0.000 1.074 312 L CA 1.153 55.788 54.840 -0.342 0.000 0.745 312 L CB -0.374 41.582 42.059 -0.172 0.000 0.898 312 L HN 0.163 nan 8.230 nan 0.000 0.433 313 I N -0.251 120.141 120.570 -0.297 0.000 2.179 313 I HA -0.307 3.863 4.170 -0.001 0.000 0.242 313 I C 2.590 178.658 176.117 -0.081 0.000 1.088 313 I CA 1.358 62.510 61.300 -0.247 0.000 1.357 313 I CB -0.242 37.658 38.000 -0.166 0.000 1.051 313 I HN 0.161 nan 8.210 nan 0.000 0.409 314 K N -0.091 120.262 120.400 -0.079 0.000 2.044 314 K HA -0.278 4.041 4.320 -0.001 0.000 0.210 314 K C 2.212 178.868 176.600 0.093 0.000 1.049 314 K CA 2.062 58.348 56.287 -0.001 0.000 0.927 314 K CB -0.401 32.077 32.500 -0.037 0.000 0.713 314 K HN 0.220 nan 8.250 nan 0.000 0.443 315 Y N 1.066 121.334 120.300 -0.053 0.000 2.089 315 Y HA -0.279 4.271 4.550 -0.001 0.000 0.282 315 Y C 2.656 178.646 175.900 0.150 0.000 1.139 315 Y CA 1.874 60.019 58.100 0.075 0.000 1.123 315 Y CB -0.938 37.581 38.460 0.098 0.000 0.980 315 Y HN 0.036 nan 8.280 nan 0.000 0.493 316 S N -0.237 115.543 115.700 0.133 0.000 2.372 316 S HA -0.249 4.220 4.470 -0.001 0.000 0.227 316 S C 1.736 176.427 174.600 0.152 0.000 1.044 316 S CA 2.205 60.491 58.200 0.144 0.000 1.050 316 S CB -0.555 62.673 63.200 0.048 0.000 0.901 316 S HN 0.648 nan 8.310 nan 0.000 0.447 317 D N 0.311 120.806 120.400 0.158 0.000 2.216 317 D HA 0.057 4.697 4.640 -0.001 0.000 0.208 317 D C 1.559 177.995 176.300 0.226 0.000 0.960 317 D CA 1.304 55.422 54.000 0.197 0.000 0.861 317 D CB -0.229 40.653 40.800 0.138 0.000 0.985 317 D HN 0.801 nan 8.370 nan 0.000 0.493 318 N N -2.140 116.664 118.700 0.172 0.000 2.168 318 N HA 0.166 4.905 4.740 -0.001 0.000 0.216 318 N C 1.210 176.820 175.510 0.166 0.000 1.259 318 N CA 0.719 53.902 53.050 0.222 0.000 0.902 318 N CB 1.004 39.605 38.487 0.190 0.000 1.079 318 N HN 0.028 nan 8.380 nan 0.000 0.507 319 G N -0.285 108.584 108.800 0.115 0.000 2.159 319 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.227 319 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.227 319 G C -0.139 175.037 174.900 0.459 0.000 0.986 319 G CA 0.123 45.326 45.100 0.172 0.000 0.651 319 G HN 0.590 nan 8.290 nan 0.000 0.523 320 S N 0.572 116.506 115.700 0.391 0.000 2.510 320 S HA 0.521 4.991 4.470 -0.001 0.000 0.279 320 S C 1.549 176.428 174.600 0.466 0.000 1.284 320 S CA 1.211 59.621 58.200 0.349 0.000 1.059 320 S CB 0.818 64.145 63.200 0.212 0.000 0.901 320 S HN 1.151 nan 8.310 nan 0.000 0.491 321 T N 3.160 117.945 114.554 0.384 0.000 3.040 321 T HA 0.233 4.582 4.350 -0.001 0.000 0.266 321 T C 0.442 175.270 174.700 0.212 0.000 1.005 321 T CA -0.472 61.794 62.100 0.277 0.000 0.906 321 T CB -0.248 68.738 68.868 0.197 0.000 1.082 321 T HN 0.445 nan 8.240 nan 0.000 0.531 322 L N 3.889 125.228 121.223 0.193 0.000 2.877 322 L HA 0.023 4.363 4.340 -0.001 0.000 0.287 322 L C 1.128 178.098 176.870 0.167 0.000 1.112 322 L CA 1.717 56.646 54.840 0.148 0.000 0.986 322 L CB -0.813 41.324 42.059 0.129 0.000 1.384 322 L HN 0.872 nan 8.230 nan 0.000 0.460 323 S N 1.198 116.959 115.700 0.102 0.000 2.541 323 S HA -0.163 4.307 4.470 -0.001 0.000 0.262 323 S C 0.469 175.064 174.600 -0.008 0.000 1.321 323 S CA 0.312 58.550 58.200 0.063 0.000 1.243 323 S CB -2.133 61.114 63.200 0.077 0.000 1.531 323 S HN 1.779 nan 8.310 nan 0.000 0.656 324 A N 0.774 123.528 122.820 -0.110 0.000 2.466 324 A HA 0.679 4.999 4.320 -0.001 0.000 0.238 324 A C 1.311 178.758 177.584 -0.229 0.000 1.074 324 A CA 0.433 52.203 52.037 -0.445 0.000 0.774 324 A CB 0.625 19.207 19.000 -0.696 0.000 1.015 324 A HN 1.132 nan 8.150 nan 0.000 0.498 325 V N 1.572 121.333 119.914 -0.256 0.000 3.471 325 V HA 0.001 4.121 4.120 -0.001 0.000 0.258 325 V C 1.022 177.054 176.094 -0.103 0.000 1.192 325 V CA 1.486 63.697 62.300 -0.148 0.000 1.116 325 V CB -0.551 31.180 31.823 -0.154 0.000 0.792 325 V HN 1.027 nan 8.190 nan 0.000 0.459 326 N N -1.103 117.535 118.700 -0.103 0.000 2.451 326 N HA 0.209 4.949 4.740 -0.001 0.000 0.271 326 N C -0.933 174.626 175.510 0.082 0.000 1.410 326 N CA -0.198 52.835 53.050 -0.028 0.000 0.884 326 N CB 0.589 39.053 38.487 -0.038 0.000 1.332 326 N HN 0.274 nan 8.380 nan 0.000 0.498 327 F N 0.224 120.058 119.950 -0.194 0.000 2.678 327 F HA 0.552 5.079 4.527 -0.001 0.000 0.308 327 F C -2.526 173.200 175.800 -0.124 0.000 1.118 327 F CA -1.512 56.371 58.000 -0.196 0.000 0.959 327 F CB 1.991 40.803 39.000 -0.313 0.000 1.305 327 F HN -0.204 nan 8.300 nan 0.000 0.443 328 P HA 0.217 nan 4.420 nan 0.000 0.275 328 P C -1.535 175.861 177.300 0.159 0.000 1.227 328 P CA -0.153 62.960 63.100 0.022 0.000 0.781 328 P CB 0.585 32.265 31.700 -0.033 0.000 0.906 329 E N 1.149 121.404 120.200 0.092 0.000 2.109 329 E HA 0.394 4.744 4.350 -0.001 0.000 0.278 329 E C -0.838 175.731 176.600 -0.052 0.000 0.954 329 E CA -0.636 55.814 56.400 0.083 0.000 0.779 329 E CB 1.078 30.820 29.700 0.071 0.000 1.093 329 E HN 0.136 nan 8.360 nan 0.000 0.401 330 V N 1.956 121.844 119.914 -0.043 0.000 2.876 330 V HA 0.605 4.725 4.120 -0.001 0.000 0.312 330 V C -0.493 175.541 176.094 -0.100 0.000 1.085 330 V CA -0.748 61.307 62.300 -0.407 0.000 0.945 330 V CB 2.104 33.678 31.823 -0.414 0.000 1.017 330 V HN 0.632 nan 8.190 nan 0.000 0.428 331 S N 3.765 119.412 115.700 -0.088 0.000 2.584 331 S HA 0.703 5.172 4.470 -0.001 0.000 0.280 331 S C -2.137 172.595 174.600 0.220 0.000 1.162 331 S CA -0.373 57.895 58.200 0.113 0.000 0.951 331 S CB 1.396 64.680 63.200 0.139 0.000 1.108 331 S HN 0.626 nan 8.310 nan 0.000 0.464 332 L N 4.743 126.077 121.223 0.185 0.000 2.386 332 L HA 0.808 5.148 4.340 -0.001 0.000 0.271 332 L C -2.402 174.551 176.870 0.138 0.000 0.993 332 L CA -1.655 53.305 54.840 0.199 0.000 0.819 332 L CB 1.585 43.755 42.059 0.184 0.000 1.294 332 L HN 0.595 nan 8.230 nan 0.000 0.414 333 P HA 0.276 nan 4.420 nan 0.000 0.274 333 P C -1.071 176.188 177.300 -0.068 0.000 1.237 333 P CA -0.544 62.562 63.100 0.010 0.000 0.793 333 P CB 0.396 32.088 31.700 -0.013 0.000 0.977 334 L N 2.795 123.922 121.223 -0.160 0.000 2.319 334 L HA 0.273 4.613 4.340 -0.001 0.000 0.280 334 L C 0.471 177.112 176.870 -0.382 0.000 1.099 334 L CA 0.436 55.206 54.840 -0.116 0.000 0.828 334 L CB -0.958 41.058 42.059 -0.072 0.000 1.150 334 L HN 0.469 nan 8.230 nan 0.000 0.442 335 H N -0.278 118.855 119.070 0.104 0.000 2.907 335 H HA 0.595 5.151 4.556 -0.001 0.000 0.361 335 H C -0.673 174.715 175.328 0.100 0.000 1.194 335 H CA -1.162 54.931 56.048 0.075 0.000 1.152 335 H CB 1.583 31.375 29.762 0.050 0.000 1.867 335 H HN 0.373 nan 8.280 nan 0.000 0.561 336 V N 0.650 120.691 119.914 0.212 0.000 2.557 336 V HA 0.544 4.663 4.120 -0.001 0.000 0.301 336 V C 0.817 177.002 176.094 0.151 0.000 1.026 336 V CA 0.859 63.248 62.300 0.148 0.000 1.137 336 V CB -0.416 31.468 31.823 0.101 0.000 0.917 336 V HN 1.086 nan 8.190 nan 0.000 0.484 337 G N 4.223 113.128 108.800 0.175 0.000 2.350 337 G HA2 0.295 4.255 3.960 -0.001 0.000 0.276 337 G HA3 0.295 4.255 3.960 -0.001 0.000 0.276 337 G C -1.048 173.942 174.900 0.150 0.000 1.313 337 G CA -1.128 44.048 45.100 0.126 0.000 0.903 337 G HN 0.769 nan 8.290 nan 0.000 0.490 338 R N 0.064 120.592 120.500 0.046 0.000 2.532 338 R HA 0.756 5.096 4.340 -0.001 0.000 0.272 338 R C 0.279 176.426 176.300 -0.255 0.000 1.032 338 R CA -0.752 55.309 56.100 -0.065 0.000 1.089 338 R CB 1.109 31.404 30.300 -0.009 0.000 1.098 338 R HN 0.817 nan 8.270 nan 0.000 0.526 339 R N 1.521 121.686 120.500 -0.557 0.000 2.575 339 R HA 0.538 4.877 4.340 -0.001 0.000 0.293 339 R C -1.111 175.031 176.300 -0.263 0.000 0.983 339 R CA -0.470 55.356 56.100 -0.458 0.000 0.887 339 R CB 0.957 30.818 30.300 -0.731 0.000 1.184 339 R HN 0.490 nan 8.270 nan 0.000 0.445 340 L N 3.760 124.927 121.223 -0.093 0.000 2.256 340 L HA 0.729 5.069 4.340 -0.001 0.000 0.261 340 L C -0.808 176.092 176.870 0.049 0.000 1.022 340 L CA -1.379 53.469 54.840 0.013 0.000 0.828 340 L CB 2.037 44.168 42.059 0.119 0.000 1.374 340 L HN 0.781 nan 8.230 nan 0.000 0.436 341 M N -0.597 119.076 119.600 0.121 0.000 2.471 341 M HA 0.490 4.970 4.480 -0.001 0.000 0.284 341 M C -1.499 174.976 176.300 0.292 0.000 1.203 341 M CA -0.412 54.995 55.300 0.179 0.000 0.915 341 M CB 1.601 34.323 32.600 0.204 0.000 1.734 341 M HN 0.471 nan 8.290 nan 0.000 0.485 342 H N 2.816 122.022 119.070 0.228 0.000 2.744 342 H HA 0.695 5.251 4.556 -0.001 0.000 0.339 342 H C -1.964 173.571 175.328 0.346 0.000 1.004 342 H CA -0.537 55.676 56.048 0.275 0.000 1.257 342 H CB 1.267 31.191 29.762 0.270 0.000 1.552 342 H HN 0.919 nan 8.280 nan 0.000 0.522 343 I N 5.731 126.323 120.570 0.036 0.000 2.412 343 I HA 0.241 4.410 4.170 -0.001 0.000 0.296 343 I C -0.495 175.522 176.117 -0.168 0.000 0.987 343 I CA -0.393 60.897 61.300 -0.017 0.000 1.180 343 I CB 1.338 39.365 38.000 0.045 0.000 1.340 343 I HN 0.676 nan 8.210 nan 0.000 0.455 344 H N 1.918 120.968 119.070 -0.033 0.000 3.042 344 H HA 0.517 5.073 4.556 -0.001 0.000 0.346 344 H C -1.141 174.187 175.328 0.001 0.000 1.294 344 H CA -1.164 54.876 56.048 -0.013 0.000 1.141 344 H CB 0.521 30.388 29.762 0.176 0.000 1.872 344 H HN 0.418 nan 8.280 nan 0.000 0.541 345 E N 0.129 120.436 120.200 0.179 0.000 2.458 345 E HA -0.052 4.297 4.350 -0.001 0.000 0.264 345 E C 0.172 176.908 176.600 0.227 0.000 1.097 345 E CA -0.052 56.424 56.400 0.126 0.000 0.973 345 E CB 0.346 30.094 29.700 0.080 0.000 0.963 345 E HN 0.534 nan 8.360 nan 0.000 0.451 346 N N 2.562 121.341 118.700 0.130 0.000 2.484 346 N HA -0.033 4.707 4.740 -0.001 0.000 0.245 346 N C -0.855 174.710 175.510 0.091 0.000 1.184 346 N CA -0.009 53.124 53.050 0.139 0.000 0.884 346 N CB -0.043 38.487 38.487 0.072 0.000 1.182 346 N HN 0.246 nan 8.380 nan 0.000 0.493 347 R N 0.339 120.883 120.500 0.075 0.000 2.811 347 R HA 0.150 4.490 4.340 -0.001 0.000 0.265 347 R C -2.129 174.179 176.300 0.014 0.000 1.026 347 R CA -0.998 55.119 56.100 0.028 0.000 1.142 347 R CB -1.027 29.278 30.300 0.008 0.000 1.027 347 R HN 0.191 nan 8.270 nan 0.000 0.465 348 P HA 0.170 nan 4.420 nan 0.000 0.278 348 P C 0.270 177.557 177.300 -0.022 0.000 1.258 348 P CA -0.185 62.915 63.100 -0.000 0.000 0.811 348 P CB 0.595 32.297 31.700 0.003 0.000 1.063 349 G N 0.091 108.875 108.800 -0.027 0.000 2.233 349 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.270 349 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.270 349 G C 0.833 175.684 174.900 -0.081 0.000 1.011 349 G CA 0.399 45.473 45.100 -0.043 0.000 0.762 349 G HN 0.366 nan 8.290 nan 0.000 0.511 350 V N 0.268 120.102 119.914 -0.132 0.000 2.307 350 V HA -0.132 3.987 4.120 -0.001 0.000 0.245 350 V C 2.776 178.740 176.094 -0.216 0.000 1.045 350 V CA 1.969 64.118 62.300 -0.252 0.000 1.024 350 V CB -0.484 31.012 31.823 -0.546 0.000 0.651 350 V HN 0.495 nan 8.190 nan 0.000 0.449 351 L N 0.065 121.207 121.223 -0.134 0.000 2.083 351 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 351 L C 2.549 179.395 176.870 -0.041 0.000 1.083 351 L CA 2.263 57.066 54.840 -0.063 0.000 0.752 351 L CB -0.801 41.254 42.059 -0.007 0.000 0.899 351 L HN 0.466 nan 8.230 nan 0.000 0.433 352 T N -0.205 114.324 114.554 -0.042 0.000 2.746 352 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 352 T C 1.948 176.626 174.700 -0.037 0.000 1.039 352 T CA 1.203 63.286 62.100 -0.027 0.000 1.142 352 T CB -0.234 68.619 68.868 -0.025 0.000 0.866 352 T HN 0.477 nan 8.240 nan 0.000 0.444 353 A N 1.441 124.221 122.820 -0.067 0.000 1.845 353 A HA -0.015 4.305 4.320 -0.001 0.000 0.215 353 A C 2.332 179.866 177.584 -0.083 0.000 1.195 353 A CA 1.309 53.299 52.037 -0.079 0.000 0.616 353 A CB -1.117 17.821 19.000 -0.103 0.000 0.832 353 A HN 0.433 nan 8.150 nan 0.000 0.443 354 L N -0.612 120.548 121.223 -0.105 0.000 2.010 354 L HA -0.321 4.018 4.340 -0.001 0.000 0.219 354 L C 2.463 179.403 176.870 0.116 0.000 1.077 354 L CA 2.122 56.943 54.840 -0.030 0.000 0.773 354 L CB -0.503 41.549 42.059 -0.013 0.000 0.892 354 L HN 0.458 nan 8.230 nan 0.000 0.436 355 N N -0.702 118.055 118.700 0.095 0.000 2.171 355 N HA -0.138 4.601 4.740 -0.001 0.000 0.184 355 N C 1.687 177.267 175.510 0.117 0.000 1.021 355 N CA 0.877 54.016 53.050 0.148 0.000 0.854 355 N CB -0.007 38.520 38.487 0.068 0.000 0.994 355 N HN 0.150 nan 8.380 nan 0.000 0.426 356 K N 0.400 120.824 120.400 0.039 0.000 2.113 356 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 356 K C 1.778 178.371 176.600 -0.013 0.000 1.047 356 K CA 0.978 57.271 56.287 0.011 0.000 0.928 356 K CB -0.233 32.258 32.500 -0.014 0.000 0.716 356 K HN 0.244 nan 8.250 nan 0.000 0.446 357 I N -0.088 120.438 120.570 -0.073 0.000 2.163 357 I HA -0.288 3.882 4.170 -0.001 0.000 0.243 357 I C 1.846 177.830 176.117 -0.223 0.000 1.085 357 I CA 1.475 62.645 61.300 -0.216 0.000 1.347 357 I CB -0.260 37.488 38.000 -0.420 0.000 1.044 357 I HN 0.065 nan 8.210 nan 0.000 0.408 358 F N 0.492 120.429 119.950 -0.021 0.000 2.367 358 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 358 F C 2.471 178.263 175.800 -0.012 0.000 1.094 358 F CA 0.965 58.956 58.000 -0.015 0.000 1.409 358 F CB -0.607 38.383 39.000 -0.016 0.000 1.064 358 F HN -0.025 nan 8.300 nan 0.000 0.528 359 A N -0.226 122.681 122.820 0.146 0.000 1.898 359 A HA -0.156 4.164 4.320 -0.001 0.000 0.214 359 A C 2.115 179.724 177.584 0.041 0.000 1.183 359 A CA 1.365 53.450 52.037 0.080 0.000 0.622 359 A CB -0.798 18.237 19.000 0.058 0.000 0.824 359 A HN 0.357 nan 8.150 nan 0.000 0.444 360 E N -0.126 120.084 120.200 0.017 0.000 2.114 360 E HA -0.287 4.063 4.350 -0.001 0.000 0.199 360 E C 1.884 178.485 176.600 0.001 0.000 1.008 360 E CA 1.766 58.165 56.400 -0.003 0.000 0.810 360 E CB -0.128 29.557 29.700 -0.026 0.000 0.739 360 E HN 0.757 nan 8.360 nan 0.000 0.456 361 Q N -1.229 118.573 119.800 0.003 0.000 2.403 361 Q HA 0.107 4.447 4.340 -0.001 0.000 0.203 361 Q C 0.591 176.612 176.000 0.036 0.000 0.932 361 Q CA 0.354 56.162 55.803 0.009 0.000 0.945 361 Q CB 0.874 29.605 28.738 -0.011 0.000 1.045 361 Q HN 0.427 nan 8.270 nan 0.000 0.511 362 G N 1.034 109.862 108.800 0.047 0.000 2.298 362 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.287 362 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.287 362 G C -0.359 174.579 174.900 0.063 0.000 1.075 362 G CA -0.070 45.059 45.100 0.047 0.000 0.960 362 G HN 0.188 nan 8.290 nan 0.000 0.502 363 V N 0.291 120.267 119.914 0.104 0.000 2.448 363 V HA 0.463 4.583 4.120 -0.001 0.000 0.295 363 V C 0.391 176.529 176.094 0.074 0.000 1.025 363 V CA -0.959 61.412 62.300 0.117 0.000 0.859 363 V CB 1.891 33.856 31.823 0.237 0.000 0.988 363 V HN 0.541 nan 8.190 nan 0.000 0.431 364 N N 4.178 122.891 118.700 0.021 0.000 2.458 364 N HA 0.294 5.034 4.740 -0.001 0.000 0.270 364 N C -0.279 175.176 175.510 -0.091 0.000 1.102 364 N CA -0.288 52.746 53.050 -0.026 0.000 0.967 364 N CB 0.649 39.122 38.487 -0.022 0.000 1.078 364 N HN 0.636 nan 8.380 nan 0.000 0.471 365 I N 3.924 124.404 120.570 -0.150 0.000 2.293 365 I HA 0.067 4.236 4.170 -0.001 0.000 0.299 365 I C 1.448 177.478 176.117 -0.144 0.000 1.153 365 I CA -0.401 60.758 61.300 -0.234 0.000 1.302 365 I CB 0.211 38.037 38.000 -0.291 0.000 1.460 365 I HN 0.712 nan 8.210 nan 0.000 0.552 366 A N 5.375 128.125 122.820 -0.117 0.000 1.948 366 A HA 0.098 4.418 4.320 -0.001 0.000 0.220 366 A C 1.167 178.701 177.584 -0.084 0.000 1.177 366 A CA 1.780 53.765 52.037 -0.087 0.000 0.636 366 A CB -0.047 18.916 19.000 -0.062 0.000 0.815 366 A HN 0.770 nan 8.150 nan 0.000 0.449 367 A N -1.543 121.228 122.820 -0.082 0.000 2.594 367 A HA 0.620 4.939 4.320 -0.001 0.000 0.296 367 A C -0.923 176.628 177.584 -0.054 0.000 1.061 367 A CA -0.045 51.961 52.037 -0.051 0.000 0.689 367 A CB 0.851 19.852 19.000 0.002 0.000 1.280 367 A HN 0.846 nan 8.150 nan 0.000 0.406 368 Q N 0.676 120.459 119.800 -0.028 0.000 2.472 368 Q HA 0.619 4.958 4.340 -0.001 0.000 0.281 368 Q C -2.205 173.844 176.000 0.081 0.000 0.997 368 Q CA -0.755 55.052 55.803 0.006 0.000 0.828 368 Q CB 1.760 30.477 28.738 -0.035 0.000 1.443 368 Q HN 0.966 nan 8.270 nan 0.000 0.390 369 Y N 2.407 122.675 120.300 -0.053 0.000 2.327 369 Y HA 0.490 5.040 4.550 -0.001 0.000 0.325 369 Y C -1.823 174.042 175.900 -0.058 0.000 0.999 369 Y CA -1.308 56.768 58.100 -0.041 0.000 1.195 369 Y CB 1.638 40.080 38.460 -0.031 0.000 1.132 369 Y HN 0.767 nan 8.280 nan 0.000 0.455 370 L N 5.961 127.368 121.223 0.307 0.000 2.309 370 L HA 0.566 4.906 4.340 -0.001 0.000 0.282 370 L C -1.225 175.776 176.870 0.218 0.000 1.036 370 L CA -0.143 54.800 54.840 0.172 0.000 0.806 370 L CB 1.690 43.836 42.059 0.145 0.000 1.220 370 L HN 0.721 nan 8.230 nan 0.000 0.429 371 Q N 2.468 122.326 119.800 0.097 0.000 2.359 371 Q HA 0.650 4.990 4.340 -0.001 0.000 0.274 371 Q C -1.512 174.517 176.000 0.048 0.000 1.074 371 Q CA -0.352 55.511 55.803 0.099 0.000 0.810 371 Q CB 2.406 31.173 28.738 0.049 0.000 1.342 371 Q HN 0.775 nan 8.270 nan 0.000 0.427 372 T N 1.887 116.467 114.554 0.044 0.000 2.863 372 T HA 0.747 5.097 4.350 -0.001 0.000 0.285 372 T C -0.787 173.908 174.700 -0.009 0.000 1.009 372 T CA -0.372 61.736 62.100 0.013 0.000 0.989 372 T CB 1.206 70.099 68.868 0.041 0.000 1.004 372 T HN 0.711 nan 8.240 nan 0.000 0.455 373 S N 1.295 116.966 115.700 -0.048 0.000 2.786 373 S HA 0.766 5.235 4.470 -0.001 0.000 0.307 373 S C 1.757 176.336 174.600 -0.035 0.000 1.121 373 S CA -0.208 57.965 58.200 -0.045 0.000 0.975 373 S CB 0.950 64.101 63.200 -0.082 0.000 1.220 373 S HN 0.736 nan 8.310 nan 0.000 0.550 374 A N 0.405 123.208 122.820 -0.029 0.000 1.917 374 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 374 A C 1.994 179.565 177.584 -0.020 0.000 1.182 374 A CA 2.047 54.073 52.037 -0.017 0.000 0.633 374 A CB -1.112 17.880 19.000 -0.015 0.000 0.819 374 A HN 0.804 nan 8.150 nan 0.000 0.448 375 Q N -2.250 117.526 119.800 -0.040 0.000 2.378 375 Q HA 0.493 4.832 4.340 -0.001 0.000 0.216 375 Q C 0.602 176.570 176.000 -0.053 0.000 0.892 375 Q CA 0.294 56.073 55.803 -0.041 0.000 0.931 375 Q CB 0.629 29.338 28.738 -0.049 0.000 1.086 375 Q HN 0.690 nan 8.270 nan 0.000 0.528 376 M N -1.067 118.480 119.600 -0.089 0.000 2.667 376 M HA 0.698 5.177 4.480 -0.001 0.000 0.286 376 M C -1.348 174.859 176.300 -0.155 0.000 1.270 376 M CA -0.864 54.344 55.300 -0.154 0.000 0.826 376 M CB 2.509 34.929 32.600 -0.300 0.000 1.743 376 M HN 0.118 nan 8.290 nan 0.000 0.460 377 G N 0.970 109.605 108.800 -0.274 0.000 2.719 377 G HA2 0.611 4.571 3.960 -0.001 0.000 0.298 377 G HA3 0.611 4.571 3.960 -0.001 0.000 0.298 377 G C -2.781 171.834 174.900 -0.475 0.000 1.411 377 G CA -0.189 44.717 45.100 -0.323 0.000 0.991 377 G HN 0.583 nan 8.290 nan 0.000 0.509 378 Y N 1.724 121.820 120.300 -0.341 0.000 2.442 378 Y HA 0.721 5.271 4.550 -0.001 0.000 0.344 378 Y C -1.322 174.568 175.900 -0.017 0.000 0.976 378 Y CA -1.585 56.404 58.100 -0.186 0.000 1.040 378 Y CB 2.314 40.726 38.460 -0.079 0.000 1.228 378 Y HN 0.707 nan 8.280 nan 0.000 0.451 379 V N 7.120 126.886 119.914 -0.247 0.000 2.686 379 V HA 0.739 4.859 4.120 -0.001 0.000 0.306 379 V C -2.001 173.920 176.094 -0.289 0.000 1.065 379 V CA -0.555 61.630 62.300 -0.193 0.000 0.894 379 V CB 1.892 33.775 31.823 0.100 0.000 1.004 379 V HN 0.623 nan 8.190 nan 0.000 0.424 380 V N 7.976 127.728 119.914 -0.271 0.000 2.417 380 V HA 0.605 4.725 4.120 -0.001 0.000 0.291 380 V C -0.418 175.646 176.094 -0.050 0.000 1.024 380 V CA -0.389 61.815 62.300 -0.160 0.000 0.861 380 V CB 1.610 33.334 31.823 -0.165 0.000 0.985 380 V HN 0.764 nan 8.190 nan 0.000 0.436 381 I N 4.040 124.582 120.570 -0.047 0.000 2.436 381 I HA 0.468 4.638 4.170 -0.001 0.000 0.289 381 I C -0.534 175.513 176.117 -0.116 0.000 1.010 381 I CA -0.215 61.027 61.300 -0.096 0.000 1.098 381 I CB 1.935 39.843 38.000 -0.154 0.000 1.266 381 I HN 0.463 nan 8.210 nan 0.000 0.434 382 D N 6.849 127.179 120.400 -0.117 0.000 2.175 382 D HA 0.700 5.340 4.640 -0.001 0.000 0.248 382 D C -0.415 175.797 176.300 -0.147 0.000 1.047 382 D CA -0.016 53.924 54.000 -0.099 0.000 0.883 382 D CB 1.817 42.605 40.800 -0.021 0.000 1.180 382 D HN 0.461 nan 8.370 nan 0.000 0.438 383 I N -2.739 117.767 120.570 -0.107 0.000 2.994 383 I HA 0.506 4.676 4.170 -0.001 0.000 0.306 383 I C -0.925 175.179 176.117 -0.021 0.000 1.195 383 I CA -0.969 60.271 61.300 -0.100 0.000 1.001 383 I CB 2.589 40.536 38.000 -0.088 0.000 1.244 383 I HN -0.021 nan 8.210 nan 0.000 0.437 384 E N 3.011 123.209 120.200 -0.004 0.000 2.114 384 E HA 0.759 5.109 4.350 -0.001 0.000 0.266 384 E C -0.750 175.873 176.600 0.039 0.000 0.896 384 E CA -0.670 55.743 56.400 0.022 0.000 0.750 384 E CB 1.848 31.557 29.700 0.015 0.000 1.121 384 E HN 0.841 nan 8.360 nan 0.000 0.413 385 A N 3.115 125.964 122.820 0.049 0.000 2.522 385 A HA 0.383 4.702 4.320 -0.001 0.000 0.291 385 A C -1.748 175.869 177.584 0.054 0.000 1.039 385 A CA -1.096 50.974 52.037 0.056 0.000 0.643 385 A CB 1.019 20.065 19.000 0.077 0.000 1.310 385 A HN 0.613 nan 8.150 nan 0.000 0.436 386 D N -0.380 120.050 120.400 0.050 0.000 2.440 386 D HA 0.493 5.133 4.640 -0.001 0.000 0.258 386 D C 0.711 177.040 176.300 0.047 0.000 1.092 386 D CA -0.379 53.649 54.000 0.046 0.000 1.016 386 D CB 0.497 41.320 40.800 0.038 0.000 1.141 386 D HN 0.355 nan 8.370 nan 0.000 0.552 387 E N 0.026 120.254 120.200 0.046 0.000 2.070 387 E HA -0.207 4.143 4.350 -0.001 0.000 0.197 387 E C 1.286 177.909 176.600 0.037 0.000 1.004 387 E CA 1.378 57.804 56.400 0.044 0.000 0.805 387 E CB -0.190 29.535 29.700 0.043 0.000 0.744 387 E HN 0.529 nan 8.360 nan 0.000 0.451 388 D N 0.235 120.654 120.400 0.031 0.000 2.106 388 D HA -0.153 4.486 4.640 -0.001 0.000 0.191 388 D C 2.152 178.467 176.300 0.024 0.000 0.997 388 D CA 1.256 55.271 54.000 0.025 0.000 0.834 388 D CB -0.259 40.554 40.800 0.021 0.000 0.956 388 D HN 0.061 nan 8.370 nan 0.000 0.448 389 V N 1.477 121.409 119.914 0.030 0.000 2.358 389 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 389 V C 2.558 178.673 176.094 0.035 0.000 1.047 389 V CA 1.727 64.046 62.300 0.031 0.000 1.035 389 V CB -0.757 31.092 31.823 0.044 0.000 0.658 389 V HN 0.178 nan 8.190 nan 0.000 0.452 390 A N -0.283 122.567 122.820 0.051 0.000 1.930 390 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 390 A C 2.169 179.777 177.584 0.039 0.000 1.175 390 A CA 1.644 53.718 52.037 0.063 0.000 0.627 390 A CB -0.421 18.618 19.000 0.065 0.000 0.815 390 A HN 0.618 nan 8.150 nan 0.000 0.443 391 E N -0.019 120.200 120.200 0.032 0.000 2.150 391 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 391 E C 1.910 178.515 176.600 0.009 0.000 0.985 391 E CA 1.147 57.562 56.400 0.025 0.000 0.814 391 E CB -0.152 29.564 29.700 0.027 0.000 0.752 391 E HN 0.601 nan 8.360 nan 0.000 0.466 392 K N 0.641 121.040 120.400 -0.003 0.000 2.103 392 K HA -0.036 4.283 4.320 -0.001 0.000 0.204 392 K C 2.251 178.816 176.600 -0.057 0.000 1.052 392 K CA 0.872 57.145 56.287 -0.024 0.000 0.945 392 K CB -0.073 32.411 32.500 -0.026 0.000 0.722 392 K HN 0.014 nan 8.250 nan 0.000 0.443 393 A N 1.793 124.565 122.820 -0.080 0.000 1.877 393 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 393 A C 2.104 179.622 177.584 -0.110 0.000 1.186 393 A CA 1.181 53.105 52.037 -0.188 0.000 0.620 393 A CB -0.666 18.181 19.000 -0.255 0.000 0.822 393 A HN 0.199 nan 8.150 nan 0.000 0.443 394 L N -0.225 120.983 121.223 -0.024 0.000 1.976 394 L HA -0.295 4.045 4.340 -0.001 0.000 0.223 394 L C 2.579 179.455 176.870 0.010 0.000 1.081 394 L CA 2.681 57.533 54.840 0.020 0.000 0.784 394 L CB -0.755 41.326 42.059 0.037 0.000 0.896 394 L HN 0.441 nan 8.230 nan 0.000 0.438 395 Q N -0.516 119.283 119.800 -0.001 0.000 2.124 395 Q HA -0.111 4.229 4.340 -0.001 0.000 0.202 395 Q C 2.286 178.280 176.000 -0.010 0.000 0.977 395 Q CA 1.642 57.446 55.803 0.002 0.000 0.850 395 Q CB -1.011 27.726 28.738 -0.000 0.000 0.901 395 Q HN 0.685 nan 8.270 nan 0.000 0.429 396 A N 0.920 123.716 122.820 -0.041 0.000 1.858 396 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 396 A C 2.236 179.794 177.584 -0.044 0.000 1.190 396 A CA 1.666 53.667 52.037 -0.061 0.000 0.617 396 A CB -0.601 18.329 19.000 -0.116 0.000 0.827 396 A HN 0.319 nan 8.150 nan 0.000 0.443 397 M N -0.420 119.153 119.600 -0.044 0.000 2.195 397 M HA -0.196 4.284 4.480 -0.001 0.000 0.260 397 M C 1.817 178.204 176.300 0.146 0.000 1.066 397 M CA 1.593 56.910 55.300 0.028 0.000 1.089 397 M CB -0.314 32.340 32.600 0.089 0.000 1.377 397 M HN 0.334 nan 8.290 nan 0.000 0.411 398 K N -0.238 120.222 120.400 0.100 0.000 2.362 398 K HA -0.016 4.304 4.320 -0.001 0.000 0.200 398 K C 1.423 178.065 176.600 0.070 0.000 1.046 398 K CA 1.057 57.398 56.287 0.091 0.000 0.952 398 K CB -0.084 32.447 32.500 0.052 0.000 0.753 398 K HN 0.287 nan 8.250 nan 0.000 0.466 399 A N 1.120 123.968 122.820 0.047 0.000 2.379 399 A HA 0.186 4.505 4.320 -0.001 0.000 0.236 399 A C 0.630 178.234 177.584 0.033 0.000 1.272 399 A CA -0.320 51.735 52.037 0.029 0.000 0.886 399 A CB -0.167 18.836 19.000 0.006 0.000 0.962 399 A HN 0.076 nan 8.150 nan 0.000 0.504 400 I N 1.435 122.045 120.570 0.067 0.000 2.529 400 I HA 0.168 4.338 4.170 -0.001 0.000 0.284 400 I C -2.272 173.880 176.117 0.059 0.000 1.082 400 I CA -2.001 59.325 61.300 0.043 0.000 1.406 400 I CB 1.022 39.032 38.000 0.017 0.000 1.405 400 I HN 0.034 nan 8.210 nan 0.000 0.548 401 P HA 0.085 nan 4.420 nan 0.000 0.267 401 P C 0.746 178.071 177.300 0.042 0.000 1.205 401 P CA 0.600 63.716 63.100 0.026 0.000 0.765 401 P CB 0.731 32.435 31.700 0.007 0.000 0.828 402 G N 1.940 110.774 108.800 0.056 0.000 2.279 402 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.223 402 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.223 402 G C 0.320 175.290 174.900 0.116 0.000 1.015 402 G CA -0.103 45.046 45.100 0.080 0.000 0.621 402 G HN 0.570 nan 8.290 nan 0.000 0.506 403 T N 1.764 116.399 114.554 0.135 0.000 2.750 403 T HA 0.234 4.584 4.350 -0.001 0.000 0.277 403 T C 1.883 176.577 174.700 -0.009 0.000 0.996 403 T CA 0.935 63.080 62.100 0.074 0.000 1.195 403 T CB 0.598 69.540 68.868 0.122 0.000 0.963 403 T HN 0.335 nan 8.240 nan 0.000 0.516 404 I N 2.182 122.720 120.570 -0.053 0.000 2.480 404 I HA 0.149 4.319 4.170 -0.001 0.000 0.251 404 I C 1.462 177.549 176.117 -0.051 0.000 1.124 404 I CA 0.744 62.021 61.300 -0.038 0.000 1.444 404 I CB 0.164 38.145 38.000 -0.033 0.000 1.098 404 I HN 0.459 nan 8.210 nan 0.000 0.428 405 R N 0.239 120.681 120.500 -0.096 0.000 2.664 405 R HA 0.664 5.003 4.340 -0.001 0.000 0.260 405 R C -2.173 174.086 176.300 -0.069 0.000 1.062 405 R CA -0.426 55.644 56.100 -0.050 0.000 0.902 405 R CB 1.728 32.025 30.300 -0.005 0.000 1.258 405 R HN 0.009 nan 8.270 nan 0.000 0.465 406 A N 2.738 125.560 122.820 0.004 0.000 2.604 406 A HA 0.812 5.132 4.320 -0.001 0.000 0.295 406 A C -1.633 176.000 177.584 0.081 0.000 1.067 406 A CA -0.684 51.396 52.037 0.071 0.000 0.683 406 A CB 2.198 21.274 19.000 0.128 0.000 1.281 406 A HN 0.716 nan 8.150 nan 0.000 0.407 407 R N 0.258 120.819 120.500 0.101 0.000 2.536 407 R HA 0.470 4.810 4.340 -0.001 0.000 0.269 407 R C -2.012 174.330 176.300 0.069 0.000 1.113 407 R CA -0.669 55.476 56.100 0.074 0.000 0.948 407 R CB 1.511 31.844 30.300 0.056 0.000 1.237 407 R HN 0.820 nan 8.270 nan 0.000 0.441 408 L N 5.826 127.084 121.223 0.058 0.000 2.325 408 L HA 0.281 4.621 4.340 -0.001 0.000 0.284 408 L C -0.156 176.737 176.870 0.039 0.000 1.089 408 L CA 0.448 55.310 54.840 0.037 0.000 0.836 408 L CB 0.714 42.800 42.059 0.046 0.000 1.184 408 L HN 0.839 nan 8.230 nan 0.000 0.444 409 L N 6.571 127.788 121.223 -0.011 0.000 2.509 409 L HA 0.176 4.516 4.340 -0.001 0.000 0.222 409 L C -0.440 176.558 176.870 0.213 0.000 1.123 409 L CA -0.037 54.840 54.840 0.062 0.000 0.856 409 L CB -0.454 41.617 42.059 0.020 0.000 0.985 409 L HN 0.834 nan 8.230 nan 0.000 0.456 410 Y N 0.000 120.336 120.300 0.060 0.000 2.660 410 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 410 Y CA 0.000 58.130 58.100 0.051 0.000 1.940 410 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758