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 3cog_1_B DATA FIRST_RESID 10 DATA SEQUENCE GFLPHFQHFA TQAIHVGQDP EQWTSRAVVP PISLSTTFKQ GAPGQHSGFE DATA SEQUENCE YSRSGNPTRN CLEKAVAALD GAKYCLAFAS GLAATVTITH LLKAGDQIIC DATA SEQUENCE MDDVYGGTNR YFRQVASEFG LKISFVDCSK IKLLEAAITP ETKLVWIETP DATA SEQUENCE TNPTQKVIDI EGCAHIVHKH GDIILVVDNT FMSPYFQRPL ALGADISMYS DATA SEQUENCE ATKYMNGHSD VVMGLVSVNC ESLHNRLRFL QNSLGAVPSP IDCYLCNRGL DATA SEQUENCE KTLHVRMEKH FKNGMAVAQF LESNPWVEKV IYPGLPSHPQ HELVKRQCTG DATA SEQUENCE CTGMVTFYIK GTLQHAEIFL KNLKLFTLAE SLGGFESLAE LPXXXXXXXX DATA SEQUENCE XXXXXXXXXX SDTLIRLSVG LEDEEDLLED LDQALKAAHP P 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 10 G C 0.000 174.795 174.900 -0.174 0.000 0.946 10 G CA 0.000 45.054 45.100 -0.076 0.000 0.502 11 F N 1.091 120.981 119.950 -0.100 0.000 2.440 11 F HA 0.473 4.998 4.527 -0.003 0.000 0.323 11 F C 1.497 177.189 175.800 -0.180 0.000 1.192 11 F CA -0.609 57.296 58.000 -0.159 0.000 1.252 11 F CB 0.603 39.492 39.000 -0.186 0.000 1.214 11 F HN -0.154 nan 8.300 nan 0.000 0.578 12 L N 3.084 124.302 121.223 -0.008 0.000 2.628 12 L HA -0.051 4.288 4.340 -0.003 0.000 0.292 12 L C -2.040 174.708 176.870 -0.203 0.000 1.250 12 L CA -1.351 53.435 54.840 -0.091 0.000 0.892 12 L CB -0.341 41.658 42.059 -0.100 0.000 1.138 12 L HN 0.303 nan 8.230 nan 0.000 0.502 13 P HA 0.019 nan 4.420 nan 0.000 0.269 13 P C -0.366 176.711 177.300 -0.372 0.000 1.209 13 P CA -0.116 62.865 63.100 -0.200 0.000 0.776 13 P CB 0.320 31.974 31.700 -0.076 0.000 0.876 14 H N 1.598 120.486 119.070 -0.304 0.000 2.948 14 H HA 0.041 4.595 4.556 -0.003 0.000 0.351 14 H C 0.315 175.424 175.328 -0.365 0.000 1.079 14 H CA 0.616 56.364 56.048 -0.499 0.000 1.407 14 H CB -0.094 29.468 29.762 -0.335 0.000 1.373 14 H HN 0.357 nan 8.280 nan 0.000 0.605 15 F N 1.656 121.609 119.950 0.006 0.000 2.543 15 F HA 0.008 4.533 4.527 -0.003 0.000 0.375 15 F C 1.567 177.419 175.800 0.086 0.000 1.075 15 F CA -0.097 57.939 58.000 0.060 0.000 1.225 15 F CB 0.367 39.446 39.000 0.131 0.000 1.099 15 F HN 0.280 nan 8.300 nan 0.000 0.561 16 Q N 3.576 123.498 119.800 0.203 0.000 2.361 16 Q HA -0.042 4.297 4.340 -0.003 0.000 0.276 16 Q C 0.293 176.302 176.000 0.014 0.000 1.022 16 Q CA 0.316 56.089 55.803 -0.051 0.000 0.898 16 Q CB 0.345 28.971 28.738 -0.186 0.000 1.246 16 Q HN 0.737 nan 8.270 nan 0.000 0.410 17 H N 0.997 120.155 119.070 0.148 0.000 3.080 17 H HA -0.248 4.306 4.556 -0.003 0.000 0.254 17 H C 0.680 176.076 175.328 0.114 0.000 1.179 17 H CA 1.037 57.145 56.048 0.100 0.000 1.144 17 H CB -1.972 27.820 29.762 0.051 0.000 1.261 17 H HN 0.747 nan 8.280 nan 0.000 0.333 18 F N 1.245 121.265 119.950 0.116 0.000 2.102 18 F HA -0.065 4.460 4.527 -0.003 0.000 0.298 18 F C 2.453 178.244 175.800 -0.015 0.000 1.105 18 F CA 2.060 60.125 58.000 0.108 0.000 1.239 18 F CB -0.074 39.053 39.000 0.211 0.000 0.991 18 F HN 0.256 nan 8.300 nan 0.000 0.474 19 A N -0.534 122.367 122.820 0.134 0.000 1.898 19 A HA -0.145 4.173 4.320 -0.003 0.000 0.216 19 A C 2.132 179.626 177.584 -0.150 0.000 1.181 19 A CA 2.122 53.983 52.037 -0.292 0.000 0.620 19 A CB -1.398 17.283 19.000 -0.532 0.000 0.819 19 A HN 0.430 nan 8.150 nan 0.000 0.442 20 T N 0.251 114.813 114.554 0.014 0.000 2.684 20 T HA -0.216 4.133 4.350 -0.003 0.000 0.267 20 T C 2.058 176.812 174.700 0.091 0.000 1.036 20 T CA 1.904 64.071 62.100 0.112 0.000 1.148 20 T CB -0.289 68.655 68.868 0.127 0.000 0.863 20 T HN 0.636 nan 8.240 nan 0.000 0.436 21 Q N 0.427 120.219 119.800 -0.014 0.000 2.083 21 Q HA 0.092 4.431 4.340 -0.003 0.000 0.198 21 Q C 2.801 178.705 176.000 -0.159 0.000 0.969 21 Q CA 1.112 56.865 55.803 -0.082 0.000 0.838 21 Q CB -0.329 28.329 28.738 -0.133 0.000 0.900 21 Q HN 0.552 nan 8.270 nan 0.000 0.436 22 A N 0.930 123.590 122.820 -0.266 0.000 1.948 22 A HA -0.211 4.108 4.320 -0.003 0.000 0.220 22 A C 1.973 179.459 177.584 -0.163 0.000 1.177 22 A CA 1.449 53.336 52.037 -0.250 0.000 0.636 22 A CB -0.566 18.297 19.000 -0.230 0.000 0.815 22 A HN 0.333 nan 8.150 nan 0.000 0.449 23 I N -2.347 118.125 120.570 -0.163 0.000 2.703 23 I HA -0.061 4.107 4.170 -0.003 0.000 0.259 23 I C 2.118 177.996 176.117 -0.397 0.000 1.151 23 I CA 0.810 61.948 61.300 -0.271 0.000 1.470 23 I CB -0.129 37.693 38.000 -0.298 0.000 1.112 23 I HN 0.375 nan 8.210 nan 0.000 0.437 24 H N -0.755 118.284 119.070 -0.052 0.000 2.788 24 H HA 0.312 4.867 4.556 -0.003 0.000 0.262 24 H C 0.533 175.838 175.328 -0.038 0.000 0.968 24 H CA 0.177 56.205 56.048 -0.034 0.000 1.218 24 H CB 0.596 30.337 29.762 -0.036 0.000 1.443 24 H HN -0.032 nan 8.280 nan 0.000 0.478 25 V N 1.587 121.519 119.914 0.031 0.000 2.521 25 V HA 0.216 4.334 4.120 -0.003 0.000 0.286 25 V C 1.421 177.512 176.094 -0.005 0.000 1.034 25 V CA 1.186 63.482 62.300 -0.007 0.000 1.045 25 V CB 0.725 32.515 31.823 -0.054 0.000 0.974 25 V HN 0.800 nan 8.190 nan 0.000 0.480 26 G N 4.050 112.855 108.800 0.009 0.000 2.205 26 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.261 26 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.261 26 G C 0.510 175.469 174.900 0.099 0.000 0.980 26 G CA 0.328 45.453 45.100 0.041 0.000 0.632 26 G HN 0.640 nan 8.290 nan 0.000 0.533 27 Q N 0.566 120.420 119.800 0.091 0.000 2.172 27 Q HA 0.205 4.543 4.340 -0.003 0.000 0.217 27 Q C 0.059 176.155 176.000 0.160 0.000 0.832 27 Q CA -0.114 55.783 55.803 0.155 0.000 1.010 27 Q CB 0.650 29.434 28.738 0.076 0.000 1.133 27 Q HN 0.575 nan 8.270 nan 0.000 0.489 28 D N 2.277 122.714 120.400 0.061 0.000 2.401 28 D HA 0.042 4.681 4.640 -0.003 0.000 0.254 28 D C -1.662 174.603 176.300 -0.058 0.000 1.192 28 D CA -1.809 52.190 54.000 -0.002 0.000 0.885 28 D CB 1.538 42.291 40.800 -0.078 0.000 1.147 28 D HN -0.092 nan 8.370 nan 0.000 0.478 29 P HA -0.091 nan 4.420 nan 0.000 0.222 29 P C 0.746 178.002 177.300 -0.072 0.000 1.147 29 P CA 0.677 63.834 63.100 0.094 0.000 0.790 29 P CB 0.287 32.059 31.700 0.120 0.000 0.780 30 E N -0.158 119.958 120.200 -0.140 0.000 2.409 30 E HA -0.153 4.195 4.350 -0.003 0.000 0.198 30 E C 1.758 178.177 176.600 -0.303 0.000 1.024 30 E CA 0.770 57.074 56.400 -0.160 0.000 0.861 30 E CB -0.376 29.253 29.700 -0.119 0.000 0.788 30 E HN 0.516 nan 8.360 nan 0.000 0.521 31 Q N -0.854 118.565 119.800 -0.635 0.000 2.291 31 Q HA -0.101 4.237 4.340 -0.003 0.000 0.205 31 Q C 0.048 175.577 176.000 -0.786 0.000 0.970 31 Q CA 0.807 56.023 55.803 -0.979 0.000 0.876 31 Q CB 0.066 27.691 28.738 -1.854 0.000 0.935 31 Q HN 0.252 nan 8.270 nan 0.000 0.455 32 W N -0.531 120.789 121.300 0.034 0.000 2.666 32 W HA 0.215 4.873 4.660 -0.003 0.000 0.334 32 W C 1.329 177.864 176.519 0.026 0.000 1.051 32 W CA -0.670 56.695 57.345 0.033 0.000 1.224 32 W CB 0.831 30.308 29.460 0.028 0.000 1.405 32 W HN -0.097 nan 8.180 nan 0.000 0.513 33 T N -2.656 112.044 114.554 0.244 0.000 2.803 33 T HA -0.263 4.085 4.350 -0.003 0.000 0.269 33 T C 1.729 176.508 174.700 0.131 0.000 1.052 33 T CA 1.855 64.040 62.100 0.141 0.000 1.136 33 T CB -0.559 68.377 68.868 0.113 0.000 0.864 33 T HN 0.454 nan 8.240 nan 0.000 0.467 34 S N 1.156 116.957 115.700 0.169 0.000 2.481 34 S HA 0.027 4.496 4.470 -0.003 0.000 0.231 34 S C 1.067 175.747 174.600 0.133 0.000 0.996 34 S CA 0.015 58.288 58.200 0.122 0.000 0.942 34 S CB -0.480 62.775 63.200 0.093 0.000 0.768 34 S HN 0.473 nan 8.310 nan 0.000 0.520 35 R N 0.415 121.029 120.500 0.190 0.000 3.641 35 R HA -0.124 4.214 4.340 -0.003 0.000 0.286 35 R C 0.317 176.735 176.300 0.197 0.000 1.153 35 R CA 0.783 56.988 56.100 0.175 0.000 0.775 35 R CB -3.004 27.354 30.300 0.096 0.000 1.215 35 R HN 0.750 nan 8.270 nan 0.000 0.474 36 A N 0.276 123.242 122.820 0.243 0.000 2.540 36 A HA 0.254 4.573 4.320 -0.003 0.000 0.239 36 A C 1.722 179.434 177.584 0.214 0.000 1.061 36 A CA 0.346 52.474 52.037 0.152 0.000 0.758 36 A CB 0.533 19.541 19.000 0.013 0.000 0.991 36 A HN 0.079 nan 8.150 nan 0.000 0.502 37 V N 2.927 122.919 119.914 0.131 0.000 2.667 37 V HA -0.087 4.031 4.120 -0.003 0.000 0.252 37 V C 0.762 176.932 176.094 0.127 0.000 1.065 37 V CA 1.320 63.697 62.300 0.128 0.000 1.083 37 V CB -0.313 31.560 31.823 0.083 0.000 0.692 37 V HN 0.576 nan 8.190 nan 0.000 0.468 38 V N 0.874 120.843 119.914 0.093 0.000 2.459 38 V HA 0.372 4.490 4.120 -0.003 0.000 0.295 38 V C -2.432 173.674 176.094 0.020 0.000 1.029 38 V CA -2.096 60.255 62.300 0.086 0.000 0.874 38 V CB 1.387 33.263 31.823 0.089 0.000 0.985 38 V HN 0.217 nan 8.190 nan 0.000 0.438 39 P HA 0.132 nan 4.420 nan 0.000 0.262 39 P C -2.510 174.547 177.300 -0.404 0.000 1.182 39 P CA -0.527 62.415 63.100 -0.265 0.000 0.761 39 P CB -0.170 31.572 31.700 0.071 0.000 0.795 40 P HA 0.097 nan 4.420 nan 0.000 0.269 40 P C -0.257 176.791 177.300 -0.420 0.000 1.215 40 P CA 0.251 63.027 63.100 -0.540 0.000 0.780 40 P CB 0.329 31.685 31.700 -0.574 0.000 0.898 41 I N 0.965 121.308 120.570 -0.379 0.000 2.308 41 I HA 0.096 4.265 4.170 -0.003 0.000 0.293 41 I C 0.739 176.716 176.117 -0.232 0.000 1.078 41 I CA 0.035 61.158 61.300 -0.294 0.000 1.292 41 I CB 0.270 38.057 38.000 -0.356 0.000 1.423 41 I HN 0.205 nan 8.210 nan 0.000 0.493 42 S N 6.808 122.394 115.700 -0.191 0.000 2.404 42 S HA 0.403 4.872 4.470 -0.003 0.000 0.309 42 S C 0.981 175.495 174.600 -0.143 0.000 1.076 42 S CA -0.653 57.454 58.200 -0.155 0.000 1.095 42 S CB 0.437 63.565 63.200 -0.119 0.000 0.972 42 S HN 0.590 nan 8.310 nan 0.000 0.484 43 L N 3.528 124.660 121.223 -0.152 0.000 2.375 43 L HA 0.178 4.517 4.340 -0.003 0.000 0.215 43 L C 1.512 178.266 176.870 -0.195 0.000 1.108 43 L CA -0.064 54.684 54.840 -0.153 0.000 0.830 43 L CB -0.412 41.566 42.059 -0.136 0.000 0.959 43 L HN 0.573 nan 8.230 nan 0.000 0.457 44 S N 0.590 116.148 115.700 -0.236 0.000 2.702 44 S HA -0.099 4.370 4.470 -0.003 0.000 0.314 44 S C 1.557 175.869 174.600 -0.481 0.000 1.244 44 S CA 0.461 58.443 58.200 -0.363 0.000 1.058 44 S CB 0.482 63.400 63.200 -0.470 0.000 0.783 44 S HN 0.494 nan 8.310 nan 0.000 0.503 45 T N 1.979 116.286 114.554 -0.410 0.000 3.023 45 T HA 0.144 4.492 4.350 -0.003 0.000 0.266 45 T C 0.924 175.325 174.700 -0.498 0.000 1.093 45 T CA 0.908 62.754 62.100 -0.424 0.000 1.129 45 T CB -0.030 68.666 68.868 -0.285 0.000 0.899 45 T HN 0.556 nan 8.240 nan 0.000 0.491 46 T N 0.058 114.251 114.554 -0.601 0.000 2.838 46 T HA 0.652 5.001 4.350 -0.003 0.000 0.292 46 T C -2.206 172.011 174.700 -0.805 0.000 1.113 46 T CA -0.970 60.857 62.100 -0.454 0.000 1.008 46 T CB 1.249 70.099 68.868 -0.029 0.000 1.259 46 T HN 0.172 nan 8.240 nan 0.000 0.520 47 F N 1.279 121.280 119.950 0.085 0.000 2.581 47 F HA 0.503 5.028 4.527 -0.003 0.000 0.311 47 F C -0.056 175.794 175.800 0.083 0.000 1.113 47 F CA -1.159 56.895 58.000 0.091 0.000 0.935 47 F CB 1.828 40.917 39.000 0.149 0.000 1.232 47 F HN 0.427 nan 8.300 nan 0.000 0.445 48 K N 2.724 123.258 120.400 0.224 0.000 2.412 48 K HA 0.221 4.540 4.320 -0.003 0.000 0.281 48 K C -0.688 175.999 176.600 0.146 0.000 1.027 48 K CA -0.065 56.309 56.287 0.144 0.000 0.989 48 K CB 0.608 33.169 32.500 0.103 0.000 0.935 48 K HN 0.727 nan 8.250 nan 0.000 0.475 49 Q N 2.171 122.036 119.800 0.109 0.000 2.235 49 Q HA 0.212 4.551 4.340 -0.003 0.000 0.256 49 Q C 0.999 177.033 176.000 0.057 0.000 0.951 49 Q CA -0.499 55.354 55.803 0.082 0.000 0.890 49 Q CB 1.845 30.628 28.738 0.075 0.000 1.279 49 Q HN 0.954 nan 8.270 nan 0.000 0.444 50 G N 0.866 109.692 108.800 0.043 0.000 2.403 50 G HA2 0.180 4.138 3.960 -0.003 0.000 0.216 50 G HA3 0.180 4.138 3.960 -0.003 0.000 0.216 50 G C 0.166 175.081 174.900 0.025 0.000 1.154 50 G CA 0.798 45.917 45.100 0.031 0.000 0.784 50 G HN 0.647 nan 8.290 nan 0.000 0.538 51 A N -0.912 121.922 122.820 0.024 0.000 2.594 51 A HA 0.719 5.038 4.320 -0.003 0.000 0.295 51 A C -3.066 174.531 177.584 0.022 0.000 1.071 51 A CA -1.205 50.844 52.037 0.020 0.000 0.685 51 A CB 1.072 20.080 19.000 0.014 0.000 1.285 51 A HN -0.024 nan 8.150 nan 0.000 0.405 52 P HA 0.303 nan 4.420 nan 0.000 0.266 52 P C 0.933 178.242 177.300 0.016 0.000 1.195 52 P CA 1.963 65.075 63.100 0.019 0.000 0.768 52 P CB 0.506 32.215 31.700 0.015 0.000 0.838 53 G N 0.909 109.720 108.800 0.018 0.000 2.356 53 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.296 53 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.296 53 G C 0.120 175.025 174.900 0.009 0.000 1.022 53 G CA -0.143 44.965 45.100 0.013 0.000 0.961 53 G HN 0.478 nan 8.290 nan 0.000 0.510 54 Q N -1.647 118.159 119.800 0.009 0.000 2.249 54 Q HA 0.556 4.895 4.340 -0.003 0.000 0.226 54 Q C 1.090 177.086 176.000 -0.006 0.000 0.983 54 Q CA 0.323 56.127 55.803 0.001 0.000 0.930 54 Q CB 0.398 29.137 28.738 0.002 0.000 1.193 54 Q HN 1.070 nan 8.270 nan 0.000 0.508 55 H N -1.107 117.955 119.070 -0.014 0.000 2.605 55 H HA 0.418 4.973 4.556 -0.003 0.000 0.308 55 H C 0.141 175.443 175.328 -0.044 0.000 1.080 55 H CA 0.285 56.319 56.048 -0.023 0.000 1.119 55 H CB 0.457 30.207 29.762 -0.020 0.000 1.479 55 H HN 0.295 nan 8.280 nan 0.000 0.537 56 S N -0.665 115.004 115.700 -0.051 0.000 2.588 56 S HA 0.669 5.137 4.470 -0.003 0.000 0.275 56 S C 0.382 174.911 174.600 -0.120 0.000 1.130 56 S CA 0.292 58.440 58.200 -0.087 0.000 0.855 56 S CB 0.980 64.139 63.200 -0.069 0.000 1.116 56 S HN 2.045 nan 8.310 nan 0.000 0.472 57 G N 1.841 110.510 108.800 -0.218 0.000 2.860 57 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.553 57 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.553 57 G C -0.736 173.923 174.900 -0.402 0.000 1.439 57 G CA -0.334 44.572 45.100 -0.323 0.000 0.879 57 G HN 0.716 nan 8.290 nan 0.000 0.545 58 F N 1.083 120.816 119.950 -0.362 0.000 2.459 58 F HA 0.420 4.946 4.527 -0.003 0.000 0.346 58 F C 1.861 177.434 175.800 -0.378 0.000 1.128 58 F CA 0.700 58.311 58.000 -0.648 0.000 1.268 58 F CB 0.989 39.004 39.000 -1.642 0.000 1.161 58 F HN 0.728 nan 8.300 nan 0.000 0.583 59 E N 0.772 121.038 120.200 0.110 0.000 2.414 59 E HA 0.130 4.478 4.350 -0.003 0.000 0.208 59 E C -0.820 176.151 176.600 0.619 0.000 0.820 59 E CA -0.093 56.515 56.400 0.347 0.000 1.143 59 E CB 0.788 30.605 29.700 0.195 0.000 1.150 59 E HN 0.584 nan 8.360 nan 0.000 0.540 60 Y N 0.345 120.886 120.300 0.401 0.000 2.436 60 Y HA 0.191 4.739 4.550 -0.003 0.000 0.327 60 Y C 0.822 176.925 175.900 0.338 0.000 1.138 60 Y CA -0.505 57.798 58.100 0.339 0.000 1.042 60 Y CB 2.163 40.718 38.460 0.157 0.000 1.302 60 Y HN -0.069 nan 8.280 nan 0.000 0.439 61 S N 3.726 119.310 115.700 -0.194 0.000 2.370 61 S HA -0.222 4.247 4.470 -0.003 0.000 0.226 61 S C 2.049 176.570 174.600 -0.133 0.000 1.033 61 S CA 2.281 60.413 58.200 -0.114 0.000 1.011 61 S CB -0.204 62.826 63.200 -0.284 0.000 0.852 61 S HN 0.840 nan 8.310 nan 0.000 0.457 62 R N 0.309 120.661 120.500 -0.247 0.000 2.105 62 R HA -0.054 4.285 4.340 -0.003 0.000 0.239 62 R C 2.186 178.514 176.300 0.046 0.000 1.135 62 R CA 1.943 58.019 56.100 -0.041 0.000 0.967 62 R CB -0.433 29.921 30.300 0.090 0.000 0.861 62 R HN 0.464 nan 8.270 nan 0.000 0.442 63 S N -1.076 114.706 115.700 0.138 0.000 2.387 63 S HA 0.161 4.630 4.470 -0.003 0.000 0.226 63 S C 0.738 175.393 174.600 0.092 0.000 1.026 63 S CA 0.716 58.987 58.200 0.118 0.000 0.972 63 S CB 0.577 63.882 63.200 0.174 0.000 0.814 63 S HN 0.628 nan 8.310 nan 0.000 0.477 64 G N 1.190 110.063 108.800 0.121 0.000 2.473 64 G HA2 0.489 4.447 3.960 -0.003 0.000 0.298 64 G HA3 0.489 4.447 3.960 -0.003 0.000 0.298 64 G C -1.995 172.967 174.900 0.103 0.000 1.575 64 G CA -1.035 44.159 45.100 0.156 0.000 0.846 64 G HN 0.367 nan 8.290 nan 0.000 0.585 65 N N 0.917 119.571 118.700 -0.076 0.000 2.484 65 N HA 0.667 5.405 4.740 -0.003 0.000 0.269 65 N C -2.463 172.748 175.510 -0.498 0.000 1.237 65 N CA -1.569 51.169 53.050 -0.520 0.000 0.838 65 N CB 2.563 40.945 38.487 -0.175 0.000 1.593 65 N HN 0.140 nan 8.380 nan 0.000 0.485 66 P HA -0.193 nan 4.420 nan 0.000 0.215 66 P C 0.846 178.190 177.300 0.073 0.000 1.163 66 P CA 2.091 65.115 63.100 -0.126 0.000 0.894 66 P CB 0.010 31.702 31.700 -0.013 0.000 0.791 67 T N -1.076 113.466 114.554 -0.020 0.000 2.777 67 T HA -0.139 4.209 4.350 -0.003 0.000 0.266 67 T C 1.900 176.621 174.700 0.036 0.000 1.040 67 T CA 1.181 63.293 62.100 0.020 0.000 1.141 67 T CB -0.483 68.373 68.868 -0.020 0.000 0.868 67 T HN 0.120 nan 8.240 nan 0.000 0.444 68 R N 1.076 121.576 120.500 0.001 0.000 2.081 68 R HA -0.094 4.245 4.340 -0.003 0.000 0.235 68 R C 2.112 178.434 176.300 0.036 0.000 1.131 68 R CA 1.549 57.650 56.100 0.002 0.000 0.960 68 R CB -0.192 30.090 30.300 -0.029 0.000 0.856 68 R HN 0.258 nan 8.270 nan 0.000 0.436 69 N N 0.015 118.761 118.700 0.077 0.000 2.166 69 N HA -0.146 4.592 4.740 -0.003 0.000 0.186 69 N C 1.692 177.270 175.510 0.113 0.000 1.019 69 N CA 1.455 54.579 53.050 0.122 0.000 0.856 69 N CB -0.500 38.119 38.487 0.221 0.000 0.993 69 N HN 0.269 nan 8.380 nan 0.000 0.426 70 C N -0.030 119.351 119.300 0.135 0.000 2.440 70 C HA 0.038 4.497 4.460 -0.003 0.000 0.278 70 C C 2.618 177.646 174.990 0.063 0.000 1.295 70 C CA -0.067 59.028 59.018 0.128 0.000 1.738 70 C CB -1.151 26.713 27.740 0.207 0.000 1.987 70 C HN 0.424 nan 8.230 nan 0.000 0.492 71 L N 1.645 122.893 121.223 0.043 0.000 2.017 71 L HA -0.134 4.204 4.340 -0.003 0.000 0.208 71 L C 2.402 179.273 176.870 0.001 0.000 1.073 71 L CA 1.954 56.796 54.840 0.003 0.000 0.745 71 L CB -0.944 41.111 42.059 -0.007 0.000 0.894 71 L HN 0.377 nan 8.230 nan 0.000 0.432 72 E N -0.634 119.579 120.200 0.021 0.000 2.077 72 E HA -0.225 4.123 4.350 -0.003 0.000 0.193 72 E C 2.142 178.756 176.600 0.023 0.000 0.989 72 E CA 1.165 57.584 56.400 0.032 0.000 0.800 72 E CB -0.144 29.588 29.700 0.053 0.000 0.746 72 E HN 0.414 nan 8.360 nan 0.000 0.452 73 K N 0.501 120.915 120.400 0.023 0.000 2.020 73 K HA -0.207 4.112 4.320 -0.003 0.000 0.212 73 K C 2.221 178.800 176.600 -0.035 0.000 1.050 73 K CA 1.354 57.639 56.287 -0.004 0.000 0.929 73 K CB -0.327 32.176 32.500 0.006 0.000 0.714 73 K HN 0.095 nan 8.250 nan 0.000 0.443 74 A N 0.979 123.776 122.820 -0.038 0.000 1.873 74 A HA -0.118 4.201 4.320 -0.003 0.000 0.215 74 A C 2.474 179.997 177.584 -0.103 0.000 1.186 74 A CA 1.632 53.623 52.037 -0.078 0.000 0.616 74 A CB -0.704 18.250 19.000 -0.077 0.000 0.823 74 A HN 0.091 nan 8.150 nan 0.000 0.442 75 V N 0.089 119.957 119.914 -0.076 0.000 2.343 75 V HA -0.268 3.850 4.120 -0.003 0.000 0.247 75 V C 3.059 179.123 176.094 -0.049 0.000 1.051 75 V CA 1.917 64.170 62.300 -0.079 0.000 1.036 75 V CB -1.414 30.376 31.823 -0.055 0.000 0.654 75 V HN 0.626 nan 8.190 nan 0.000 0.451 76 A N 0.289 123.092 122.820 -0.029 0.000 1.892 76 A HA -0.236 4.083 4.320 -0.003 0.000 0.218 76 A C 2.461 180.001 177.584 -0.073 0.000 1.188 76 A CA 2.568 54.586 52.037 -0.032 0.000 0.631 76 A CB -0.968 18.005 19.000 -0.046 0.000 0.822 76 A HN 0.613 nan 8.150 nan 0.000 0.447 77 A N -0.450 122.309 122.820 -0.101 0.000 1.902 77 A HA -0.056 4.263 4.320 -0.003 0.000 0.217 77 A C 2.151 179.643 177.584 -0.154 0.000 1.181 77 A CA 1.560 53.522 52.037 -0.125 0.000 0.623 77 A CB -0.613 18.308 19.000 -0.132 0.000 0.818 77 A HN 0.500 nan 8.150 nan 0.000 0.443 78 L N -0.708 120.397 121.223 -0.198 0.000 2.201 78 L HA -0.126 4.212 4.340 -0.003 0.000 0.212 78 L C 1.509 178.370 176.870 -0.014 0.000 1.105 78 L CA 1.099 55.790 54.840 -0.247 0.000 0.775 78 L CB -0.480 41.381 42.059 -0.331 0.000 0.913 78 L HN 0.326 nan 8.230 nan 0.000 0.440 79 D N 0.176 120.569 120.400 -0.011 0.000 2.355 79 D HA 0.013 4.652 4.640 -0.003 0.000 0.218 79 D C 1.473 177.730 176.300 -0.070 0.000 1.004 79 D CA 0.977 54.986 54.000 0.016 0.000 0.880 79 D CB 0.364 41.215 40.800 0.084 0.000 0.911 79 D HN 0.382 nan 8.370 nan 0.000 0.528 80 G N 0.946 109.688 108.800 -0.096 0.000 2.198 80 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.260 80 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.260 80 G C 0.341 175.189 174.900 -0.088 0.000 1.025 80 G CA 0.428 45.465 45.100 -0.106 0.000 0.769 80 G HN 0.564 nan 8.290 nan 0.000 0.507 81 A N -0.940 121.833 122.820 -0.080 0.000 2.320 81 A HA 0.841 5.159 4.320 -0.003 0.000 0.334 81 A C 1.162 178.646 177.584 -0.166 0.000 1.147 81 A CA 0.214 52.203 52.037 -0.081 0.000 0.820 81 A CB 0.835 19.823 19.000 -0.020 0.000 1.218 81 A HN 0.209 nan 8.150 nan 0.000 0.482 82 K N -0.507 119.740 120.400 -0.255 0.000 2.103 82 K HA 0.003 4.322 4.320 -0.003 0.000 0.204 82 K C -0.739 175.384 176.600 -0.795 0.000 1.052 82 K CA 1.456 57.383 56.287 -0.600 0.000 0.945 82 K CB -0.109 31.886 32.500 -0.843 0.000 0.722 82 K HN 0.685 nan 8.250 nan 0.000 0.443 83 Y N -1.863 118.351 120.300 -0.144 0.000 2.562 83 Y HA 0.372 4.920 4.550 -0.003 0.000 0.345 83 Y C -0.621 175.256 175.900 -0.038 0.000 1.045 83 Y CA -1.344 56.645 58.100 -0.185 0.000 1.028 83 Y CB 1.867 40.008 38.460 -0.530 0.000 1.297 83 Y HN -0.138 nan 8.280 nan 0.000 0.463 84 C N 2.733 122.146 119.300 0.188 0.000 2.888 84 C HA 0.867 5.326 4.460 -0.003 0.000 0.308 84 C C -1.891 173.203 174.990 0.174 0.000 1.213 84 C CA -0.782 58.340 59.018 0.175 0.000 1.461 84 C CB 0.419 28.226 27.740 0.112 0.000 1.934 84 C HN 0.735 nan 8.230 nan 0.000 0.474 85 L N 4.575 125.905 121.223 0.179 0.000 2.381 85 L HA 0.781 5.120 4.340 -0.003 0.000 0.274 85 L C 0.353 177.182 176.870 -0.069 0.000 0.988 85 L CA -0.116 54.748 54.840 0.040 0.000 0.824 85 L CB 1.500 43.626 42.059 0.111 0.000 1.263 85 L HN 0.846 nan 8.230 nan 0.000 0.410 86 A N 2.756 125.413 122.820 -0.273 0.000 2.306 86 A HA 0.912 5.231 4.320 -0.003 0.000 0.314 86 A C -1.030 176.200 177.584 -0.590 0.000 1.164 86 A CA -0.191 51.712 52.037 -0.222 0.000 0.822 86 A CB 0.441 19.381 19.000 -0.100 0.000 1.130 86 A HN 0.491 nan 8.150 nan 0.000 0.496 87 F N -0.056 119.921 119.950 0.046 0.000 2.620 87 F HA 0.561 5.086 4.527 -0.002 0.000 0.320 87 F C 1.324 177.135 175.800 0.019 0.000 1.069 87 F CA -0.040 57.978 58.000 0.030 0.000 0.953 87 F CB 1.984 41.006 39.000 0.036 0.000 1.322 87 F HN 0.618 nan 8.300 nan 0.000 0.479 88 A N 0.436 123.378 122.820 0.203 0.000 2.076 88 A HA 0.156 4.474 4.320 -0.003 0.000 0.220 88 A C 0.591 178.232 177.584 0.095 0.000 1.160 88 A CA 1.733 53.834 52.037 0.106 0.000 0.653 88 A CB -0.635 18.412 19.000 0.079 0.000 0.801 88 A HN 0.808 nan 8.150 nan 0.000 0.455 89 S N -5.160 110.615 115.700 0.124 0.000 2.615 89 S HA 0.502 4.971 4.470 -0.003 0.000 0.268 89 S C 0.895 175.550 174.600 0.090 0.000 1.146 89 S CA 0.096 58.346 58.200 0.084 0.000 0.818 89 S CB 0.736 63.965 63.200 0.050 0.000 1.111 89 S HN 0.814 nan 8.310 nan 0.000 0.465 90 G N 0.627 109.468 108.800 0.069 0.000 2.446 90 G HA2 -0.063 3.895 3.960 -0.003 0.000 0.217 90 G HA3 -0.063 3.895 3.960 -0.003 0.000 0.217 90 G C 1.162 176.090 174.900 0.045 0.000 1.168 90 G CA 1.001 46.145 45.100 0.072 0.000 0.771 90 G HN 0.681 nan 8.290 nan 0.000 0.551 91 L N 0.670 121.912 121.223 0.032 0.000 2.042 91 L HA -0.132 4.207 4.340 -0.003 0.000 0.210 91 L C 3.408 180.169 176.870 -0.182 0.000 1.076 91 L CA 1.174 55.972 54.840 -0.070 0.000 0.749 91 L CB -0.375 41.659 42.059 -0.042 0.000 0.893 91 L HN 0.326 nan 8.230 nan 0.000 0.432 92 A N -0.329 122.424 122.820 -0.111 0.000 1.969 92 A HA -0.113 4.205 4.320 -0.003 0.000 0.218 92 A C 2.512 179.902 177.584 -0.323 0.000 1.169 92 A CA 1.507 53.457 52.037 -0.146 0.000 0.635 92 A CB -0.573 18.431 19.000 0.008 0.000 0.810 92 A HN 0.416 nan 8.150 nan 0.000 0.445 93 A N -0.661 121.957 122.820 -0.337 0.000 1.858 93 A HA -0.103 4.215 4.320 -0.003 0.000 0.216 93 A C 2.322 179.711 177.584 -0.325 0.000 1.190 93 A CA 2.344 54.002 52.037 -0.632 0.000 0.617 93 A CB -1.364 17.537 19.000 -0.166 0.000 0.827 93 A HN 0.421 nan 8.150 nan 0.000 0.443 94 T N -0.160 114.326 114.554 -0.112 0.000 2.684 94 T HA -0.142 4.206 4.350 -0.003 0.000 0.267 94 T C 1.882 176.486 174.700 -0.161 0.000 1.036 94 T CA 1.693 63.769 62.100 -0.041 0.000 1.148 94 T CB -0.558 68.150 68.868 -0.267 0.000 0.863 94 T HN 0.152 nan 8.240 nan 0.000 0.436 95 V N 1.573 121.232 119.914 -0.425 0.000 2.343 95 V HA -0.201 3.917 4.120 -0.003 0.000 0.247 95 V C 2.795 178.896 176.094 0.011 0.000 1.051 95 V CA 2.082 64.150 62.300 -0.386 0.000 1.036 95 V CB -1.212 30.310 31.823 -0.502 0.000 0.654 95 V HN 0.537 nan 8.190 nan 0.000 0.451 96 T N 0.109 114.569 114.554 -0.158 0.000 2.746 96 T HA -0.104 4.244 4.350 -0.003 0.000 0.267 96 T C 1.845 176.575 174.700 0.050 0.000 1.039 96 T CA 1.668 63.699 62.100 -0.114 0.000 1.142 96 T CB -0.276 68.356 68.868 -0.393 0.000 0.866 96 T HN 0.330 nan 8.240 nan 0.000 0.444 97 I N 1.087 121.680 120.570 0.039 0.000 2.208 97 I HA -0.191 3.978 4.170 -0.003 0.000 0.245 97 I C 2.637 178.905 176.117 0.252 0.000 1.097 97 I CA 1.150 62.558 61.300 0.179 0.000 1.363 97 I CB -0.491 37.688 38.000 0.298 0.000 1.051 97 I HN 0.246 nan 8.210 nan 0.000 0.413 98 T N -1.219 113.516 114.554 0.303 0.000 2.867 98 T HA -0.192 4.156 4.350 -0.003 0.000 0.268 98 T C 1.564 176.374 174.700 0.184 0.000 1.057 98 T CA 1.197 63.482 62.100 0.308 0.000 1.136 98 T CB -0.381 68.784 68.868 0.496 0.000 0.874 98 T HN 0.370 nan 8.240 nan 0.000 0.466 99 H N 0.589 119.744 119.070 0.141 0.000 2.567 99 H HA 0.183 4.737 4.556 -0.003 0.000 0.276 99 H C 1.807 177.200 175.328 0.109 0.000 1.016 99 H CA 0.394 56.508 56.048 0.109 0.000 1.186 99 H CB -0.511 29.303 29.762 0.086 0.000 1.351 99 H HN 0.276 nan 8.280 nan 0.000 0.605 100 L N -0.249 121.090 121.223 0.194 0.000 2.191 100 L HA -0.108 4.230 4.340 -0.003 0.000 0.212 100 L C 0.782 177.706 176.870 0.090 0.000 1.103 100 L CA 0.606 55.529 54.840 0.138 0.000 0.769 100 L CB -0.238 41.899 42.059 0.130 0.000 0.908 100 L HN 0.214 nan 8.230 nan 0.000 0.438 101 L N -0.508 120.758 121.223 0.071 0.000 2.744 101 L HA 0.318 4.657 4.340 -0.003 0.000 0.218 101 L C 0.019 176.900 176.870 0.019 0.000 1.190 101 L CA -0.573 54.289 54.840 0.036 0.000 0.869 101 L CB 0.463 42.534 42.059 0.020 0.000 1.652 101 L HN 0.038 nan 8.230 nan 0.000 0.519 102 K N -0.687 119.718 120.400 0.008 0.000 2.533 102 K HA 0.688 5.006 4.320 -0.003 0.000 0.272 102 K C -1.235 175.370 176.600 0.007 0.000 0.985 102 K CA -0.967 55.326 56.287 0.009 0.000 0.876 102 K CB 1.628 34.137 32.500 0.016 0.000 1.452 102 K HN 0.483 nan 8.250 nan 0.000 0.439 103 A N 0.401 123.233 122.820 0.020 0.000 2.580 103 A HA 0.357 4.676 4.320 -0.003 0.000 0.244 103 A C 1.279 178.869 177.584 0.009 0.000 1.045 103 A CA 1.450 53.501 52.037 0.023 0.000 0.761 103 A CB -1.377 17.646 19.000 0.037 0.000 0.962 103 A HN 1.467 nan 8.150 nan 0.000 0.512 104 G N 2.264 111.064 108.800 -0.001 0.000 2.259 104 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.217 104 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.217 104 G C -0.013 174.878 174.900 -0.015 0.000 1.001 104 G CA 0.246 45.342 45.100 -0.007 0.000 0.627 104 G HN 0.804 nan 8.290 nan 0.000 0.501 105 D N 0.819 121.209 120.400 -0.017 0.000 2.360 105 D HA 0.481 5.119 4.640 -0.003 0.000 0.242 105 D C 0.512 176.782 176.300 -0.049 0.000 1.184 105 D CA 0.218 54.203 54.000 -0.025 0.000 0.930 105 D CB 0.862 41.650 40.800 -0.019 0.000 1.161 105 D HN 0.517 nan 8.370 nan 0.000 0.447 106 Q N 0.618 120.382 119.800 -0.060 0.000 2.274 106 Q HA 0.525 4.864 4.340 -0.003 0.000 0.260 106 Q C -1.113 174.809 176.000 -0.131 0.000 0.974 106 Q CA -0.674 55.071 55.803 -0.096 0.000 0.876 106 Q CB 1.114 29.802 28.738 -0.083 0.000 1.297 106 Q HN 0.404 nan 8.270 nan 0.000 0.446 107 I N 4.341 124.780 120.570 -0.218 0.000 2.377 107 I HA 0.349 4.517 4.170 -0.003 0.000 0.293 107 I C -0.387 175.526 176.117 -0.340 0.000 0.987 107 I CA -0.647 60.466 61.300 -0.311 0.000 1.185 107 I CB 1.578 39.242 38.000 -0.560 0.000 1.341 107 I HN 0.557 nan 8.210 nan 0.000 0.455 108 I N 5.833 126.250 120.570 -0.254 0.000 2.321 108 I HA 0.270 4.438 4.170 -0.003 0.000 0.291 108 I C -0.398 175.573 176.117 -0.242 0.000 0.998 108 I CA -0.322 60.837 61.300 -0.236 0.000 1.227 108 I CB 1.395 39.318 38.000 -0.129 0.000 1.368 108 I HN 0.563 nan 8.210 nan 0.000 0.466 109 C N 7.741 126.811 119.300 -0.384 0.000 2.417 109 C HA 0.504 4.962 4.460 -0.003 0.000 0.324 109 C C 0.458 175.453 174.990 0.009 0.000 1.240 109 C CA -0.783 58.100 59.018 -0.224 0.000 1.632 109 C CB 1.144 28.569 27.740 -0.524 0.000 2.241 109 C HN 0.791 nan 8.230 nan 0.000 0.499 110 M N 4.016 123.733 119.600 0.196 0.000 2.245 110 M HA 0.013 4.491 4.480 -0.003 0.000 0.335 110 M C 1.094 177.607 176.300 0.356 0.000 1.155 110 M CA 0.625 56.069 55.300 0.241 0.000 1.055 110 M CB 0.449 33.201 32.600 0.254 0.000 1.670 110 M HN 0.742 nan 8.290 nan 0.000 0.447 111 D N 1.912 122.484 120.400 0.287 0.000 2.097 111 D HA -0.092 4.547 4.640 -0.003 0.000 0.197 111 D C 0.082 176.492 176.300 0.183 0.000 0.984 111 D CA 1.555 55.709 54.000 0.257 0.000 0.826 111 D CB -0.104 40.783 40.800 0.144 0.000 0.973 111 D HN 0.631 nan 8.370 nan 0.000 0.460 112 D N 0.637 121.137 120.400 0.166 0.000 3.057 112 D HA 0.141 4.780 4.640 -0.003 0.000 0.246 112 D C -0.184 176.224 176.300 0.180 0.000 1.238 112 D CA -0.095 53.986 54.000 0.135 0.000 0.949 112 D CB 0.918 41.784 40.800 0.110 0.000 1.086 112 D HN -0.135 nan 8.370 nan 0.000 0.487 113 V N 1.195 121.242 119.914 0.221 0.000 3.109 113 V HA 0.232 4.351 4.120 -0.003 0.000 0.317 113 V C -0.496 175.749 176.094 0.252 0.000 1.074 113 V CA -0.948 61.523 62.300 0.286 0.000 1.033 113 V CB 1.182 33.216 31.823 0.352 0.000 1.111 113 V HN 0.315 nan 8.190 nan 0.000 0.458 114 Y N 3.138 123.543 120.300 0.174 0.000 2.810 114 Y HA 0.208 4.758 4.550 -0.001 0.000 0.332 114 Y C 1.216 177.160 175.900 0.074 0.000 1.243 114 Y CA 0.416 58.596 58.100 0.135 0.000 1.537 114 Y CB 0.888 39.460 38.460 0.187 0.000 1.265 114 Y HN 0.741 nan 8.280 nan 0.000 0.572 115 G N 4.374 112.966 108.800 -0.347 0.000 2.469 115 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.219 115 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.219 115 G C 1.620 176.175 174.900 -0.574 0.000 1.150 115 G CA 0.779 45.650 45.100 -0.381 0.000 0.763 115 G HN 1.016 nan 8.290 nan 0.000 0.561 116 G N 0.055 108.120 108.800 -1.226 0.000 2.442 116 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.219 116 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.219 116 G C 1.841 176.488 174.900 -0.421 0.000 1.141 116 G CA 1.807 46.437 45.100 -0.783 0.000 0.763 116 G HN 0.414 nan 8.290 nan 0.000 0.554 117 T N 0.572 114.889 114.554 -0.395 0.000 2.732 117 T HA -0.120 4.229 4.350 -0.003 0.000 0.261 117 T C 2.230 176.677 174.700 -0.421 0.000 1.040 117 T CA 1.299 63.131 62.100 -0.446 0.000 1.145 117 T CB -0.360 68.306 68.868 -0.337 0.000 0.866 117 T HN 0.428 nan 8.240 nan 0.000 0.427 118 N N 1.077 119.706 118.700 -0.117 0.000 2.037 118 N HA -0.189 4.550 4.740 -0.003 0.000 0.196 118 N C 1.978 177.503 175.510 0.025 0.000 1.034 118 N CA 1.599 54.709 53.050 0.101 0.000 0.861 118 N CB -0.135 38.349 38.487 -0.005 0.000 1.039 118 N HN 0.289 nan 8.380 nan 0.000 0.427 119 R N -1.257 119.191 120.500 -0.088 0.000 2.081 119 R HA -0.222 4.117 4.340 -0.003 0.000 0.235 119 R C 2.205 178.501 176.300 -0.007 0.000 1.131 119 R CA 1.563 57.630 56.100 -0.054 0.000 0.960 119 R CB -0.642 29.608 30.300 -0.082 0.000 0.856 119 R HN 0.474 nan 8.270 nan 0.000 0.436 120 Y N 0.709 120.902 120.300 -0.179 0.000 2.114 120 Y HA -0.230 4.318 4.550 -0.003 0.000 0.284 120 Y C 1.702 177.583 175.900 -0.032 0.000 1.143 120 Y CA 1.622 59.624 58.100 -0.163 0.000 1.135 120 Y CB -0.662 37.609 38.460 -0.314 0.000 0.980 120 Y HN -0.011 nan 8.280 nan 0.000 0.499 121 F N 0.600 120.350 119.950 -0.333 0.000 2.069 121 F HA -0.157 4.368 4.527 -0.003 0.000 0.298 121 F C 2.642 178.333 175.800 -0.181 0.000 1.113 121 F CA 1.839 59.615 58.000 -0.374 0.000 1.214 121 F CB -1.142 37.741 39.000 -0.195 0.000 0.978 121 F HN -0.007 nan 8.300 nan 0.000 0.474 122 R N -0.310 120.306 120.500 0.193 0.000 2.066 122 R HA -0.121 4.217 4.340 -0.003 0.000 0.232 122 R C 2.115 178.437 176.300 0.036 0.000 1.131 122 R CA 1.322 57.509 56.100 0.145 0.000 0.955 122 R CB -0.324 30.044 30.300 0.113 0.000 0.851 122 R HN 0.301 nan 8.270 nan 0.000 0.432 123 Q N -0.543 119.262 119.800 0.010 0.000 2.339 123 Q HA 0.041 4.379 4.340 -0.003 0.000 0.205 123 Q C 1.890 177.897 176.000 0.012 0.000 0.925 123 Q CA 0.882 56.689 55.803 0.005 0.000 0.898 123 Q CB 0.733 29.480 28.738 0.014 0.000 1.013 123 Q HN 0.206 nan 8.270 nan 0.000 0.504 124 V N -0.267 119.642 119.914 -0.008 0.000 3.097 124 V HA 0.172 4.290 4.120 -0.003 0.000 0.223 124 V C 2.099 178.237 176.094 0.074 0.000 1.199 124 V CA 0.938 63.287 62.300 0.082 0.000 1.260 124 V CB -1.003 30.942 31.823 0.205 0.000 1.155 124 V HN 0.143 nan 8.190 nan 0.000 0.509 125 A N 1.584 124.258 122.820 -0.244 0.000 1.948 125 A HA -0.253 4.065 4.320 -0.003 0.000 0.220 125 A C 2.436 180.014 177.584 -0.010 0.000 1.177 125 A CA 2.749 54.691 52.037 -0.157 0.000 0.636 125 A CB -0.923 17.849 19.000 -0.381 0.000 0.815 125 A HN 0.753 nan 8.150 nan 0.000 0.449 126 S N -0.332 115.336 115.700 -0.053 0.000 2.440 126 S HA -0.140 4.328 4.470 -0.003 0.000 0.238 126 S C 1.292 175.847 174.600 -0.074 0.000 1.010 126 S CA 1.325 59.495 58.200 -0.049 0.000 0.972 126 S CB -0.304 62.875 63.200 -0.034 0.000 0.774 126 S HN 0.587 nan 8.310 nan 0.000 0.501 127 E N 0.219 120.346 120.200 -0.122 0.000 2.502 127 E HA 0.164 4.513 4.350 -0.003 0.000 0.194 127 E C -0.257 175.998 176.600 -0.575 0.000 1.062 127 E CA 0.273 56.465 56.400 -0.346 0.000 0.867 127 E CB -0.125 29.290 29.700 -0.475 0.000 0.888 127 E HN 0.736 nan 8.360 nan 0.000 0.510 128 F N -0.045 119.883 119.950 -0.037 0.000 2.908 128 F HA 0.313 4.839 4.527 -0.002 0.000 0.328 128 F C 1.295 177.071 175.800 -0.041 0.000 1.211 128 F CA -0.108 57.874 58.000 -0.030 0.000 1.291 128 F CB 1.081 40.063 39.000 -0.029 0.000 0.962 128 F HN 0.013 nan 8.300 nan 0.000 0.505 129 G N 0.633 109.454 108.800 0.036 0.000 2.159 129 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.256 129 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.256 129 G C -0.089 174.810 174.900 -0.001 0.000 0.977 129 G CA -0.333 44.776 45.100 0.015 0.000 0.652 129 G HN 0.300 nan 8.290 nan 0.000 0.531 130 L N 0.600 121.818 121.223 -0.008 0.000 2.282 130 L HA 0.487 4.826 4.340 -0.003 0.000 0.288 130 L C 0.665 177.493 176.870 -0.070 0.000 1.033 130 L CA -0.780 54.034 54.840 -0.043 0.000 0.807 130 L CB 1.683 43.710 42.059 -0.053 0.000 1.209 130 L HN 0.095 nan 8.230 nan 0.000 0.423 131 K N 4.583 124.934 120.400 -0.081 0.000 2.285 131 K HA 0.374 4.692 4.320 -0.003 0.000 0.286 131 K C -0.890 175.621 176.600 -0.148 0.000 1.072 131 K CA -0.628 55.606 56.287 -0.089 0.000 0.913 131 K CB 0.617 33.076 32.500 -0.069 0.000 1.067 131 K HN 0.380 nan 8.250 nan 0.000 0.479 132 I N 3.016 123.492 120.570 -0.157 0.000 2.336 132 I HA 0.204 4.372 4.170 -0.003 0.000 0.292 132 I C -0.258 175.731 176.117 -0.213 0.000 0.991 132 I CA -0.587 60.547 61.300 -0.277 0.000 1.227 132 I CB 1.275 39.106 38.000 -0.281 0.000 1.366 132 I HN 0.458 nan 8.210 nan 0.000 0.466 133 S N 6.442 121.960 115.700 -0.303 0.000 2.659 133 S HA 0.598 5.067 4.470 -0.003 0.000 0.312 133 S C -0.555 173.886 174.600 -0.265 0.000 1.114 133 S CA -0.445 57.655 58.200 -0.166 0.000 1.063 133 S CB 0.853 63.988 63.200 -0.109 0.000 0.996 133 S HN 0.254 nan 8.310 nan 0.000 0.478 134 F N 2.199 122.132 119.950 -0.028 0.000 2.396 134 F HA 0.602 5.129 4.527 -0.001 0.000 0.343 134 F C 0.316 176.118 175.800 0.004 0.000 1.104 134 F CA -0.386 57.613 58.000 -0.001 0.000 1.161 134 F CB 1.051 40.059 39.000 0.014 0.000 1.146 134 F HN 0.192 nan 8.300 nan 0.000 0.522 135 V N 1.756 121.763 119.914 0.155 0.000 3.012 135 V HA 0.200 4.319 4.120 -0.003 0.000 0.307 135 V C -0.975 175.179 176.094 0.100 0.000 1.166 135 V CA -1.127 61.228 62.300 0.091 0.000 0.974 135 V CB 2.214 34.054 31.823 0.028 0.000 1.040 135 V HN 0.588 nan 8.190 nan 0.000 0.428 136 D N 1.634 122.080 120.400 0.076 0.000 2.374 136 D HA 0.141 4.779 4.640 -0.003 0.000 0.240 136 D C 0.620 176.954 176.300 0.056 0.000 1.229 136 D CA -0.082 53.961 54.000 0.072 0.000 0.895 136 D CB 1.098 41.932 40.800 0.057 0.000 1.046 136 D HN 0.644 nan 8.370 nan 0.000 0.498 137 C N 2.443 121.782 119.300 0.064 0.000 2.673 137 C HA 0.017 4.476 4.460 -0.003 0.000 0.274 137 C C 2.338 177.356 174.990 0.046 0.000 1.276 137 C CA 0.176 59.223 59.018 0.047 0.000 1.701 137 C CB -1.631 26.140 27.740 0.051 0.000 1.836 137 C HN 0.675 nan 8.230 nan 0.000 0.596 138 S N 0.283 116.015 115.700 0.053 0.000 2.489 138 S HA 0.006 4.474 4.470 -0.003 0.000 0.228 138 S C 0.365 174.988 174.600 0.038 0.000 0.995 138 S CA 0.636 58.866 58.200 0.049 0.000 0.934 138 S CB -0.239 62.995 63.200 0.056 0.000 0.771 138 S HN 0.685 nan 8.310 nan 0.000 0.522 139 K N 0.749 121.169 120.400 0.033 0.000 2.389 139 K HA 0.449 4.767 4.320 -0.003 0.000 0.261 139 K C -0.203 176.409 176.600 0.019 0.000 1.014 139 K CA -0.390 55.912 56.287 0.025 0.000 0.920 139 K CB 1.097 33.611 32.500 0.023 0.000 1.149 139 K HN 0.015 nan 8.250 nan 0.000 0.444 140 I N 2.099 122.680 120.570 0.018 0.000 2.361 140 I HA -0.281 3.887 4.170 -0.003 0.000 0.251 140 I C 1.674 177.795 176.117 0.007 0.000 1.133 140 I CA 1.410 62.718 61.300 0.013 0.000 1.413 140 I CB -0.280 37.731 38.000 0.019 0.000 1.073 140 I HN 0.454 nan 8.210 nan 0.000 0.424 141 K N 0.273 120.680 120.400 0.011 0.000 2.217 141 K HA -0.016 4.303 4.320 -0.003 0.000 0.202 141 K C 2.149 178.750 176.600 0.002 0.000 1.051 141 K CA 0.973 57.265 56.287 0.010 0.000 0.952 141 K CB -0.238 32.270 32.500 0.014 0.000 0.736 141 K HN 0.311 nan 8.250 nan 0.000 0.453 142 L N 0.801 122.027 121.223 0.004 0.000 2.017 142 L HA -0.205 4.134 4.340 -0.003 0.000 0.208 142 L C 2.383 179.245 176.870 -0.013 0.000 1.073 142 L CA 0.692 55.534 54.840 0.002 0.000 0.745 142 L CB -0.393 41.674 42.059 0.013 0.000 0.894 142 L HN 0.116 nan 8.230 nan 0.000 0.432 143 L N -0.373 120.840 121.223 -0.017 0.000 1.989 143 L HA -0.246 4.092 4.340 -0.003 0.000 0.211 143 L C 2.518 179.338 176.870 -0.085 0.000 1.071 143 L CA 1.839 56.653 54.840 -0.043 0.000 0.749 143 L CB -0.821 41.215 42.059 -0.039 0.000 0.890 143 L HN 0.240 nan 8.230 nan 0.000 0.431 144 E N -0.076 120.076 120.200 -0.079 0.000 2.068 144 E HA -0.300 4.049 4.350 -0.003 0.000 0.207 144 E C 2.000 178.536 176.600 -0.106 0.000 1.032 144 E CA 1.928 58.260 56.400 -0.114 0.000 0.839 144 E CB -0.468 29.220 29.700 -0.020 0.000 0.758 144 E HN 0.645 nan 8.360 nan 0.000 0.457 145 A N 0.410 123.204 122.820 -0.043 0.000 2.168 145 A HA 0.103 4.421 4.320 -0.003 0.000 0.215 145 A C 2.124 179.689 177.584 -0.031 0.000 1.152 145 A CA 1.307 53.332 52.037 -0.020 0.000 0.716 145 A CB -0.125 18.874 19.000 -0.002 0.000 0.794 145 A HN 0.252 nan 8.150 nan 0.000 0.465 146 A N -0.378 122.412 122.820 -0.049 0.000 2.123 146 A HA 0.331 4.649 4.320 -0.003 0.000 0.214 146 A C 0.885 178.428 177.584 -0.068 0.000 1.152 146 A CA -0.098 51.910 52.037 -0.049 0.000 0.728 146 A CB -0.312 18.661 19.000 -0.045 0.000 0.814 146 A HN 0.449 nan 8.150 nan 0.000 0.464 147 I N 1.654 122.160 120.570 -0.107 0.000 2.648 147 I HA 0.186 4.355 4.170 -0.003 0.000 0.284 147 I C 0.873 176.963 176.117 -0.044 0.000 1.153 147 I CA 0.297 61.526 61.300 -0.119 0.000 1.426 147 I CB 1.023 38.855 38.000 -0.280 0.000 1.381 147 I HN 0.344 nan 8.210 nan 0.000 0.571 148 T N 2.764 117.305 114.554 -0.022 0.000 2.887 148 T HA 0.436 4.784 4.350 -0.003 0.000 0.292 148 T C -2.095 172.617 174.700 0.020 0.000 1.087 148 T CA -1.721 60.382 62.100 0.004 0.000 1.009 148 T CB 1.989 70.850 68.868 -0.010 0.000 1.203 148 T HN 0.319 nan 8.240 nan 0.000 0.518 149 P HA 0.004 nan 4.420 nan 0.000 0.225 149 P C 0.594 177.903 177.300 0.015 0.000 1.148 149 P CA 1.016 64.132 63.100 0.026 0.000 0.779 149 P CB 0.074 31.787 31.700 0.021 0.000 0.780 150 E N -1.038 119.164 120.200 0.002 0.000 2.478 150 E HA 0.031 4.379 4.350 -0.003 0.000 0.194 150 E C 0.308 176.899 176.600 -0.016 0.000 1.045 150 E CA 0.298 56.694 56.400 -0.007 0.000 0.868 150 E CB -0.866 28.824 29.700 -0.016 0.000 0.885 150 E HN 0.151 nan 8.360 nan 0.000 0.505 151 T N 1.867 116.411 114.554 -0.016 0.000 2.784 151 T HA 0.078 4.426 4.350 -0.003 0.000 0.291 151 T C 0.884 175.579 174.700 -0.008 0.000 0.942 151 T CA 0.062 62.145 62.100 -0.028 0.000 1.161 151 T CB 0.577 69.422 68.868 -0.038 0.000 0.885 151 T HN -0.093 nan 8.240 nan 0.000 0.534 152 K N 1.849 122.242 120.400 -0.013 0.000 2.412 152 K HA 0.314 4.633 4.320 -0.003 0.000 0.202 152 K C -0.191 176.422 176.600 0.023 0.000 1.102 152 K CA -0.089 56.205 56.287 0.012 0.000 1.027 152 K CB 0.616 33.125 32.500 0.014 0.000 0.931 152 K HN 0.445 nan 8.250 nan 0.000 0.557 153 L N 0.369 121.593 121.223 0.001 0.000 2.493 153 L HA 0.413 4.751 4.340 -0.003 0.000 0.265 153 L C -1.698 175.171 176.870 -0.001 0.000 0.954 153 L CA -0.694 54.163 54.840 0.028 0.000 0.844 153 L CB 2.284 44.382 42.059 0.064 0.000 1.302 153 L HN -0.262 nan 8.230 nan 0.000 0.405 154 V N 4.226 124.154 119.914 0.023 0.000 2.448 154 V HA 0.428 4.546 4.120 -0.003 0.000 0.295 154 V C -1.175 174.981 176.094 0.104 0.000 1.025 154 V CA -0.411 61.901 62.300 0.020 0.000 0.859 154 V CB 1.888 33.693 31.823 -0.030 0.000 0.988 154 V HN 0.791 nan 8.190 nan 0.000 0.431 155 W N 7.898 129.176 121.300 -0.036 0.000 2.318 155 W HA 0.690 5.350 4.660 -0.001 0.000 0.315 155 W C -0.787 175.775 176.519 0.071 0.000 1.033 155 W CA -0.723 56.656 57.345 0.057 0.000 1.275 155 W CB 1.564 31.123 29.460 0.164 0.000 1.250 155 W HN 0.678 nan 8.180 nan 0.000 0.421 156 I N 1.582 122.164 120.570 0.020 0.000 3.067 156 I HA 0.742 4.911 4.170 -0.003 0.000 0.312 156 I C -1.147 174.989 176.117 0.032 0.000 1.073 156 I CA -0.947 60.409 61.300 0.092 0.000 1.016 156 I CB 2.573 40.595 38.000 0.037 0.000 1.227 156 I HN 0.412 nan 8.210 nan 0.000 0.456 157 E N 1.404 121.678 120.200 0.124 0.000 2.321 157 E HA 0.498 4.846 4.350 -0.003 0.000 0.281 157 E C -1.702 174.973 176.600 0.125 0.000 0.910 157 E CA -0.497 55.989 56.400 0.144 0.000 0.770 157 E CB 2.087 31.956 29.700 0.281 0.000 1.225 157 E HN 0.880 nan 8.360 nan 0.000 0.417 158 T N 4.081 118.698 114.554 0.105 0.000 3.097 158 T HA 0.451 4.800 4.350 -0.003 0.000 0.332 158 T C -2.884 171.873 174.700 0.096 0.000 1.269 158 T CA -1.337 60.817 62.100 0.089 0.000 1.076 158 T CB 1.511 70.413 68.868 0.057 0.000 1.209 158 T HN 0.244 nan 8.240 nan 0.000 0.474 159 P HA 0.213 nan 4.420 nan 0.000 0.270 159 P C -0.025 177.324 177.300 0.081 0.000 1.223 159 P CA -0.144 62.995 63.100 0.066 0.000 0.785 159 P CB 0.263 31.982 31.700 0.032 0.000 0.923 160 T N -0.638 113.965 114.554 0.082 0.000 2.868 160 T HA 0.240 4.589 4.350 -0.003 0.000 0.292 160 T C 0.091 174.792 174.700 0.002 0.000 1.028 160 T CA -0.617 61.526 62.100 0.072 0.000 1.059 160 T CB 0.207 69.132 68.868 0.095 0.000 0.991 160 T HN 0.229 nan 8.240 nan 0.000 0.531 161 N N 2.232 120.905 118.700 -0.046 0.000 2.314 161 N HA 0.340 5.078 4.740 -0.003 0.000 0.304 161 N C -1.784 173.709 175.510 -0.028 0.000 1.073 161 N CA -1.617 51.365 53.050 -0.112 0.000 0.822 161 N CB 2.402 40.682 38.487 -0.345 0.000 1.280 161 N HN 0.577 nan 8.380 nan 0.000 0.489 162 P HA 0.021 nan 4.420 nan 0.000 0.245 162 P C 0.958 178.258 177.300 0.000 0.000 1.206 162 P CA 0.678 63.755 63.100 -0.038 0.000 0.781 162 P CB 0.123 31.794 31.700 -0.049 0.000 0.994 163 T N -3.710 110.865 114.554 0.035 0.000 3.113 163 T HA -0.037 4.311 4.350 -0.003 0.000 0.256 163 T C 0.857 175.632 174.700 0.126 0.000 1.131 163 T CA 0.072 62.220 62.100 0.080 0.000 1.074 163 T CB -0.732 68.190 68.868 0.090 0.000 0.944 163 T HN 0.011 nan 8.240 nan 0.000 0.516 164 Q N 0.044 119.913 119.800 0.116 0.000 2.475 164 Q HA -0.153 4.185 4.340 -0.003 0.000 0.280 164 Q C -0.392 175.763 176.000 0.258 0.000 1.234 164 Q CA 0.750 56.657 55.803 0.174 0.000 0.873 164 Q CB -2.129 26.756 28.738 0.246 0.000 1.256 164 Q HN 0.676 nan 8.270 nan 0.000 0.475 165 K N 0.226 120.730 120.400 0.173 0.000 2.382 165 K HA 0.328 4.647 4.320 -0.003 0.000 0.275 165 K C 0.110 176.798 176.600 0.148 0.000 1.009 165 K CA -0.044 56.346 56.287 0.171 0.000 0.970 165 K CB 0.843 33.412 32.500 0.115 0.000 0.934 165 K HN -0.027 nan 8.250 nan 0.000 0.479 166 V N 5.404 125.412 119.914 0.155 0.000 2.370 166 V HA 0.246 4.365 4.120 -0.003 0.000 0.283 166 V C -0.385 175.750 176.094 0.067 0.000 1.023 166 V CA -0.880 61.468 62.300 0.080 0.000 0.857 166 V CB 1.153 32.995 31.823 0.032 0.000 0.985 166 V HN 0.523 nan 8.190 nan 0.000 0.443 167 I N 3.849 124.451 120.570 0.053 0.000 2.353 167 I HA 0.292 4.461 4.170 -0.003 0.000 0.293 167 I C 0.390 176.524 176.117 0.027 0.000 0.992 167 I CA -0.439 60.887 61.300 0.043 0.000 1.268 167 I CB 1.147 39.174 38.000 0.045 0.000 1.387 167 I HN 0.519 nan 8.210 nan 0.000 0.478 168 D N 6.338 126.753 120.400 0.024 0.000 2.348 168 D HA 0.092 4.730 4.640 -0.003 0.000 0.259 168 D C 1.156 177.462 176.300 0.010 0.000 1.296 168 D CA 0.378 54.389 54.000 0.019 0.000 0.931 168 D CB 0.491 41.306 40.800 0.025 0.000 1.067 168 D HN 0.444 nan 8.370 nan 0.000 0.503 169 I N 2.706 123.278 120.570 0.002 0.000 2.179 169 I HA -0.211 3.957 4.170 -0.003 0.000 0.242 169 I C 2.259 178.354 176.117 -0.037 0.000 1.088 169 I CA 0.850 62.139 61.300 -0.019 0.000 1.357 169 I CB -0.068 37.923 38.000 -0.016 0.000 1.051 169 I HN 0.495 nan 8.210 nan 0.000 0.409 170 E N 1.197 121.387 120.200 -0.016 0.000 2.072 170 E HA -0.172 4.176 4.350 -0.003 0.000 0.191 170 E C 2.288 178.899 176.600 0.018 0.000 0.985 170 E CA 1.271 57.649 56.400 -0.038 0.000 0.801 170 E CB -0.253 29.466 29.700 0.030 0.000 0.750 170 E HN 0.463 nan 8.360 nan 0.000 0.452 171 G N 0.909 109.755 108.800 0.076 0.000 2.529 171 G HA2 -0.361 3.597 3.960 -0.003 0.000 0.219 171 G HA3 -0.361 3.597 3.960 -0.003 0.000 0.219 171 G C 1.751 176.678 174.900 0.046 0.000 1.177 171 G CA 1.171 46.328 45.100 0.096 0.000 0.773 171 G HN 0.441 nan 8.290 nan 0.000 0.573 172 C N 0.866 120.159 119.300 -0.011 0.000 2.429 172 C HA 0.152 4.611 4.460 -0.003 0.000 0.277 172 C C 3.563 178.471 174.990 -0.136 0.000 1.262 172 C CA 0.878 59.862 59.018 -0.057 0.000 1.733 172 C CB -1.095 26.608 27.740 -0.062 0.000 2.010 172 C HN 0.602 nan 8.230 nan 0.000 0.483 173 A N 0.048 122.752 122.820 -0.193 0.000 1.883 173 A HA -0.222 4.096 4.320 -0.003 0.000 0.217 173 A C 1.986 179.372 177.584 -0.329 0.000 1.186 173 A CA 1.760 53.566 52.037 -0.385 0.000 0.624 173 A CB -0.932 17.907 19.000 -0.268 0.000 0.822 173 A HN 0.731 nan 8.150 nan 0.000 0.444 174 H N -0.845 118.205 119.070 -0.035 0.000 2.353 174 H HA -0.099 4.455 4.556 -0.003 0.000 0.300 174 H C 2.144 177.496 175.328 0.039 0.000 1.090 174 H CA 1.851 57.923 56.048 0.039 0.000 1.327 174 H CB -0.367 29.421 29.762 0.044 0.000 1.383 174 H HN 0.441 nan 8.280 nan 0.000 0.508 175 I N -0.017 120.629 120.570 0.126 0.000 2.179 175 I HA -0.213 3.955 4.170 -0.003 0.000 0.242 175 I C 2.645 178.824 176.117 0.104 0.000 1.088 175 I CA 0.699 62.067 61.300 0.114 0.000 1.357 175 I CB -0.390 37.628 38.000 0.030 0.000 1.051 175 I HN -0.030 nan 8.210 nan 0.000 0.409 176 V N -0.196 119.682 119.914 -0.060 0.000 2.358 176 V HA -0.319 3.800 4.120 -0.003 0.000 0.246 176 V C 2.281 178.405 176.094 0.051 0.000 1.047 176 V CA 2.151 64.391 62.300 -0.099 0.000 1.035 176 V CB -0.896 30.772 31.823 -0.258 0.000 0.658 176 V HN 0.505 nan 8.190 nan 0.000 0.452 177 H N -0.505 118.618 119.070 0.090 0.000 2.436 177 H HA -0.082 4.472 4.556 -0.003 0.000 0.294 177 H C 2.336 177.722 175.328 0.097 0.000 1.048 177 H CA 1.149 57.243 56.048 0.077 0.000 1.353 177 H CB 0.130 29.919 29.762 0.044 0.000 1.414 177 H HN 0.291 nan 8.280 nan 0.000 0.536 178 K N 0.548 121.093 120.400 0.242 0.000 2.211 178 K HA -0.181 4.138 4.320 -0.003 0.000 0.204 178 K C 1.242 177.870 176.600 0.047 0.000 1.047 178 K CA 1.333 57.701 56.287 0.136 0.000 0.935 178 K CB 0.038 32.618 32.500 0.133 0.000 0.728 178 K HN 0.553 nan 8.250 nan 0.000 0.452 179 H N -1.220 117.887 119.070 0.062 0.000 2.548 179 H HA 0.110 4.665 4.556 -0.002 0.000 0.265 179 H C 1.044 176.399 175.328 0.044 0.000 0.969 179 H CA 0.623 56.696 56.048 0.042 0.000 1.155 179 H CB 0.911 30.689 29.762 0.027 0.000 1.394 179 H HN 0.467 nan 8.280 nan 0.000 0.570 180 G N 1.091 109.984 108.800 0.157 0.000 2.250 180 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.196 180 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.196 180 G C -1.059 173.907 174.900 0.109 0.000 1.308 180 G CA -0.308 44.853 45.100 0.102 0.000 1.207 180 G HN 0.213 nan 8.290 nan 0.000 0.505 181 D N 1.439 121.885 120.400 0.077 0.000 2.662 181 D HA 0.388 5.027 4.640 -0.003 0.000 0.228 181 D C 0.443 176.790 176.300 0.079 0.000 1.093 181 D CA 0.201 54.241 54.000 0.066 0.000 1.075 181 D CB -0.914 39.912 40.800 0.043 0.000 1.122 181 D HN 0.489 nan 8.370 nan 0.000 0.475 182 I N 2.286 122.927 120.570 0.118 0.000 2.436 182 I HA 0.300 4.469 4.170 -0.003 0.000 0.289 182 I C 0.106 176.308 176.117 0.141 0.000 1.010 182 I CA -1.079 60.284 61.300 0.105 0.000 1.098 182 I CB 2.023 40.071 38.000 0.080 0.000 1.266 182 I HN -0.069 nan 8.210 nan 0.000 0.434 183 I N 6.448 127.076 120.570 0.097 0.000 2.312 183 I HA 0.161 4.329 4.170 -0.003 0.000 0.291 183 I C -0.390 175.764 176.117 0.063 0.000 1.031 183 I CA -0.494 60.867 61.300 0.102 0.000 1.293 183 I CB 1.246 39.299 38.000 0.088 0.000 1.403 183 I HN 0.338 nan 8.210 nan 0.000 0.484 184 L N 9.154 130.412 121.223 0.058 0.000 2.257 184 L HA 0.428 4.767 4.340 -0.003 0.000 0.290 184 L C -0.451 176.373 176.870 -0.077 0.000 1.044 184 L CA -0.135 54.683 54.840 -0.037 0.000 0.810 184 L CB 1.090 43.079 42.059 -0.117 0.000 1.193 184 L HN 0.263 nan 8.230 nan 0.000 0.425 185 V N 5.997 125.810 119.914 -0.168 0.000 2.427 185 V HA 0.448 4.566 4.120 -0.003 0.000 0.286 185 V C -0.189 175.622 176.094 -0.472 0.000 1.034 185 V CA -0.687 61.380 62.300 -0.388 0.000 0.893 185 V CB 1.645 33.019 31.823 -0.748 0.000 0.982 185 V HN 0.484 nan 8.190 nan 0.000 0.452 186 V N 3.590 123.265 119.914 -0.397 0.000 2.357 186 V HA 0.292 4.411 4.120 -0.003 0.000 0.284 186 V C -0.061 175.800 176.094 -0.388 0.000 1.018 186 V CA -0.598 61.505 62.300 -0.329 0.000 0.841 186 V CB 1.632 33.349 31.823 -0.178 0.000 0.991 186 V HN 0.892 nan 8.190 nan 0.000 0.437 187 D N 4.096 124.286 120.400 -0.350 0.000 2.342 187 D HA 0.031 4.669 4.640 -0.003 0.000 0.260 187 D C 0.652 176.881 176.300 -0.119 0.000 1.278 187 D CA 0.277 54.164 54.000 -0.188 0.000 0.910 187 D CB 0.583 41.446 40.800 0.105 0.000 1.079 187 D HN 0.515 nan 8.370 nan 0.000 0.496 188 N N 2.076 120.597 118.700 -0.297 0.000 2.268 188 N HA 0.009 4.747 4.740 -0.003 0.000 0.204 188 N C 1.150 176.661 175.510 0.002 0.000 1.124 188 N CA 0.008 52.952 53.050 -0.178 0.000 0.838 188 N CB 0.335 38.623 38.487 -0.331 0.000 0.994 188 N HN 0.245 nan 8.380 nan 0.000 0.489 189 T N -0.391 114.144 114.554 -0.033 0.000 2.649 189 T HA -0.192 4.156 4.350 -0.003 0.000 0.268 189 T C 0.904 175.565 174.700 -0.065 0.000 1.036 189 T CA 1.532 63.608 62.100 -0.040 0.000 1.157 189 T CB -0.354 68.299 68.868 -0.358 0.000 0.861 189 T HN 0.310 nan 8.240 nan 0.000 0.445 190 F N -0.374 119.710 119.950 0.223 0.000 2.765 190 F HA 0.317 4.843 4.527 -0.003 0.000 0.302 190 F C 1.976 178.006 175.800 0.384 0.000 1.111 190 F CA -0.050 58.138 58.000 0.312 0.000 1.359 190 F CB 0.015 39.127 39.000 0.186 0.000 1.097 190 F HN 0.070 nan 8.300 nan 0.000 0.577 191 M N -1.017 118.831 119.600 0.412 0.000 2.740 191 M HA 0.174 4.652 4.480 -0.003 0.000 0.253 191 M C 0.708 177.215 176.300 0.345 0.000 1.341 191 M CA 0.739 56.237 55.300 0.330 0.000 1.176 191 M CB -0.374 32.378 32.600 0.254 0.000 1.310 191 M HN 0.114 nan 8.290 nan 0.000 0.531 192 S N 1.098 117.034 115.700 0.393 0.000 3.522 192 S HA -0.055 4.413 4.470 -0.003 0.000 0.829 192 S C -2.254 172.564 174.600 0.363 0.000 1.219 192 S CA 0.049 58.464 58.200 0.358 0.000 1.016 192 S CB -1.561 61.752 63.200 0.187 0.000 0.587 192 S HN 0.257 nan 8.310 nan 0.000 0.357 193 P HA 0.016 nan 4.420 nan 0.000 0.237 193 P C 1.250 178.781 177.300 0.384 0.000 1.178 193 P CA 1.099 64.428 63.100 0.381 0.000 0.766 193 P CB -0.259 31.660 31.700 0.364 0.000 0.876 194 Y N 0.104 120.371 120.300 -0.055 0.000 2.224 194 Y HA -0.115 4.434 4.550 -0.003 0.000 0.289 194 Y C 1.764 177.473 175.900 -0.319 0.000 1.146 194 Y CA 1.658 59.328 58.100 -0.717 0.000 1.182 194 Y CB -0.664 37.191 38.460 -1.008 0.000 0.983 194 Y HN -0.172 nan 8.280 nan 0.000 0.524 195 F N -1.349 118.615 119.950 0.022 0.000 2.653 195 F HA 0.208 4.733 4.527 -0.003 0.000 0.288 195 F C 0.667 176.505 175.800 0.063 0.000 1.121 195 F CA -0.014 57.926 58.000 -0.100 0.000 1.384 195 F CB 0.535 39.457 39.000 -0.130 0.000 1.115 195 F HN -0.168 nan 8.300 nan 0.000 0.599 196 Q N 0.613 120.646 119.800 0.389 0.000 2.268 196 Q HA 0.366 4.704 4.340 -0.003 0.000 0.266 196 Q C -0.966 175.186 176.000 0.253 0.000 1.006 196 Q CA -0.575 55.411 55.803 0.305 0.000 0.824 196 Q CB 1.643 30.499 28.738 0.197 0.000 1.306 196 Q HN 0.099 nan 8.270 nan 0.000 0.424 197 R N 4.835 125.440 120.500 0.176 0.000 2.575 197 R HA 0.247 4.585 4.340 -0.003 0.000 0.281 197 R C -2.034 174.272 176.300 0.011 0.000 1.272 197 R CA -1.764 54.335 56.100 -0.002 0.000 1.417 197 R CB 0.926 31.046 30.300 -0.300 0.000 1.121 197 R HN 0.473 nan 8.270 nan 0.000 0.583 198 P HA -0.203 nan 4.420 nan 0.000 0.216 198 P C 0.891 178.182 177.300 -0.016 0.000 1.150 198 P CA 1.282 64.377 63.100 -0.009 0.000 0.843 198 P CB 0.272 31.946 31.700 -0.043 0.000 0.787 199 L N -1.506 119.706 121.223 -0.017 0.000 2.141 199 L HA -0.108 4.231 4.340 -0.003 0.000 0.209 199 L C 2.369 179.228 176.870 -0.020 0.000 1.094 199 L CA 1.306 56.138 54.840 -0.014 0.000 0.763 199 L CB -1.036 41.016 42.059 -0.012 0.000 0.908 199 L HN -0.044 nan 8.230 nan 0.000 0.437 200 A N -0.190 122.611 122.820 -0.032 0.000 2.066 200 A HA -0.004 4.314 4.320 -0.003 0.000 0.218 200 A C 1.974 179.559 177.584 0.002 0.000 1.157 200 A CA 0.942 52.965 52.037 -0.024 0.000 0.670 200 A CB -0.344 18.629 19.000 -0.046 0.000 0.804 200 A HN 0.417 nan 8.150 nan 0.000 0.453 201 L N -1.643 119.581 121.223 0.002 0.000 2.628 201 L HA 0.329 4.667 4.340 -0.003 0.000 0.229 201 L C 1.486 178.336 176.870 -0.033 0.000 1.137 201 L CA 0.546 55.386 54.840 0.001 0.000 0.909 201 L CB 0.257 42.322 42.059 0.011 0.000 1.137 201 L HN 0.501 nan 8.230 nan 0.000 0.470 202 G N -0.338 108.448 108.800 -0.023 0.000 2.201 202 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.212 202 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.212 202 G C 0.449 175.393 174.900 0.073 0.000 0.994 202 G CA -0.174 44.921 45.100 -0.008 0.000 0.644 202 G HN 0.430 nan 8.290 nan 0.000 0.508 203 A N 0.298 123.129 122.820 0.019 0.000 2.448 203 A HA 0.526 4.845 4.320 -0.003 0.000 0.239 203 A C 1.165 178.785 177.584 0.061 0.000 1.080 203 A CA 0.964 53.013 52.037 0.021 0.000 0.779 203 A CB 0.289 19.265 19.000 -0.041 0.000 1.026 203 A HN 0.194 nan 8.150 nan 0.000 0.499 204 D N -0.141 120.304 120.400 0.075 0.000 2.271 204 D HA 0.155 4.793 4.640 -0.003 0.000 0.206 204 D C 0.084 176.405 176.300 0.035 0.000 0.967 204 D CA 1.242 55.282 54.000 0.066 0.000 0.867 204 D CB 0.257 41.118 40.800 0.101 0.000 0.960 204 D HN 0.477 nan 8.370 nan 0.000 0.509 205 I N 0.285 120.849 120.570 -0.010 0.000 2.534 205 I HA 0.096 4.264 4.170 -0.003 0.000 0.288 205 I C -0.710 175.346 176.117 -0.102 0.000 1.077 205 I CA -0.509 60.772 61.300 -0.033 0.000 1.051 205 I CB 2.579 40.548 38.000 -0.053 0.000 1.234 205 I HN -0.280 nan 8.210 nan 0.000 0.425 206 S N 7.766 123.423 115.700 -0.071 0.000 2.433 206 S HA 0.640 5.108 4.470 -0.003 0.000 0.310 206 S C -0.563 173.908 174.600 -0.215 0.000 1.097 206 S CA -0.570 57.538 58.200 -0.153 0.000 1.103 206 S CB 0.803 63.976 63.200 -0.046 0.000 0.992 206 S HN 0.562 nan 8.310 nan 0.000 0.469 207 M N 5.381 124.726 119.600 -0.425 0.000 2.535 207 M HA 0.553 5.031 4.480 -0.003 0.000 0.314 207 M C -2.325 173.611 176.300 -0.607 0.000 1.153 207 M CA -0.497 54.610 55.300 -0.321 0.000 0.924 207 M CB 1.625 34.087 32.600 -0.230 0.000 1.710 207 M HN 0.730 nan 8.290 nan 0.000 0.451 208 Y N 0.222 120.554 120.300 0.054 0.000 2.512 208 Y HA 0.400 4.948 4.550 -0.003 0.000 0.348 208 Y C 0.122 176.032 175.900 0.017 0.000 0.990 208 Y CA -0.685 57.430 58.100 0.025 0.000 1.033 208 Y CB 2.055 40.531 38.460 0.027 0.000 1.259 208 Y HN 0.696 nan 8.280 nan 0.000 0.461 209 S N 1.587 117.338 115.700 0.084 0.000 2.400 209 S HA 0.451 4.919 4.470 -0.003 0.000 0.295 209 S C 0.934 175.541 174.600 0.013 0.000 1.113 209 S CA 0.003 58.205 58.200 0.003 0.000 1.064 209 S CB 0.213 63.317 63.200 -0.160 0.000 0.990 209 S HN 0.860 nan 8.310 nan 0.000 0.502 210 A N 4.553 127.405 122.820 0.054 0.000 2.067 210 A HA 0.009 4.328 4.320 -0.003 0.000 0.219 210 A C 2.093 179.652 177.584 -0.041 0.000 1.158 210 A CA 1.766 53.808 52.037 0.008 0.000 0.661 210 A CB -1.146 17.860 19.000 0.008 0.000 0.801 210 A HN 0.805 nan 8.150 nan 0.000 0.452 211 T N 0.179 114.699 114.554 -0.057 0.000 2.751 211 T HA -0.182 4.167 4.350 -0.003 0.000 0.268 211 T C 1.560 176.171 174.700 -0.150 0.000 1.045 211 T CA 1.964 64.012 62.100 -0.087 0.000 1.142 211 T CB -0.146 68.671 68.868 -0.085 0.000 0.851 211 T HN 0.434 nan 8.240 nan 0.000 0.474 212 K N 0.068 120.334 120.400 -0.224 0.000 3.383 212 K HA 0.335 4.653 4.320 -0.003 0.000 0.164 212 K C 1.663 178.118 176.600 -0.243 0.000 1.145 212 K CA 0.469 56.541 56.287 -0.357 0.000 1.507 212 K CB -1.005 31.119 32.500 -0.625 0.000 2.086 212 K HN 0.234 nan 8.250 nan 0.000 0.502 213 Y N 0.653 120.875 120.300 -0.130 0.000 2.242 213 Y HA -0.168 4.380 4.550 -0.002 0.000 0.291 213 Y C 2.179 178.061 175.900 -0.029 0.000 1.137 213 Y CA 0.536 58.595 58.100 -0.068 0.000 1.181 213 Y CB -0.030 38.413 38.460 -0.028 0.000 0.989 213 Y HN 0.085 nan 8.280 nan 0.000 0.527 214 M N 0.005 119.664 119.600 0.098 0.000 2.082 214 M HA -0.289 4.189 4.480 -0.003 0.000 0.258 214 M C 1.914 178.237 176.300 0.038 0.000 1.071 214 M CA 1.861 57.164 55.300 0.005 0.000 1.103 214 M CB -1.359 31.162 32.600 -0.133 0.000 1.307 214 M HN 0.314 nan 8.290 nan 0.000 0.409 215 N N -0.736 117.983 118.700 0.033 0.000 2.148 215 N HA -0.028 4.710 4.740 -0.003 0.000 0.186 215 N C 1.228 176.860 175.510 0.203 0.000 1.031 215 N CA 2.268 55.365 53.050 0.080 0.000 0.848 215 N CB -0.160 38.348 38.487 0.034 0.000 1.005 215 N HN 0.481 nan 8.380 nan 0.000 0.427 216 G N -1.345 107.502 108.800 0.077 0.000 2.162 216 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.260 216 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.260 216 G C 0.123 174.854 174.900 -0.281 0.000 0.976 216 G CA 0.954 46.045 45.100 -0.015 0.000 0.655 216 G HN 0.631 nan 8.290 nan 0.000 0.533 217 H N -0.370 118.589 119.070 -0.186 0.000 2.581 217 H HA 0.478 5.033 4.556 -0.003 0.000 0.275 217 H C 1.524 176.610 175.328 -0.402 0.000 1.126 217 H CA 0.328 56.198 56.048 -0.297 0.000 1.097 217 H CB 0.569 30.403 29.762 0.120 0.000 1.626 217 H HN 0.346 nan 8.280 nan 0.000 0.565 218 S N 1.290 116.810 115.700 -0.299 0.000 3.581 218 S HA -0.200 4.268 4.470 -0.003 0.000 0.354 218 S C 0.334 174.889 174.600 -0.074 0.000 1.059 218 S CA 1.295 59.363 58.200 -0.219 0.000 1.060 218 S CB -1.053 61.956 63.200 -0.318 0.000 0.908 218 S HN 0.864 nan 8.310 nan 0.000 0.475 219 D N -1.567 118.823 120.400 -0.017 0.000 2.594 219 D HA 0.374 5.012 4.640 -0.003 0.000 0.256 219 D C -0.234 176.074 176.300 0.014 0.000 1.393 219 D CA -0.130 53.881 54.000 0.020 0.000 0.797 219 D CB 0.054 40.891 40.800 0.062 0.000 1.110 219 D HN 0.283 nan 8.370 nan 0.000 0.495 220 V N 0.608 120.522 119.914 -0.000 0.000 2.668 220 V HA 0.389 4.507 4.120 -0.003 0.000 0.304 220 V C -0.531 175.559 176.094 -0.005 0.000 1.071 220 V CA -0.953 61.348 62.300 0.001 0.000 0.894 220 V CB 2.414 34.238 31.823 0.002 0.000 1.008 220 V HN -0.028 nan 8.190 nan 0.000 0.425 221 V N 6.242 126.159 119.914 0.004 0.000 2.350 221 V HA 0.686 4.805 4.120 -0.003 0.000 0.276 221 V C -0.123 175.986 176.094 0.024 0.000 1.028 221 V CA -0.104 62.202 62.300 0.009 0.000 0.860 221 V CB 1.268 33.100 31.823 0.016 0.000 0.990 221 V HN 0.908 nan 8.190 nan 0.000 0.453 222 M N 4.357 123.976 119.600 0.032 0.000 2.490 222 M HA 0.715 5.193 4.480 -0.003 0.000 0.286 222 M C -0.688 175.667 176.300 0.093 0.000 1.185 222 M CA -0.302 55.034 55.300 0.060 0.000 0.912 222 M CB 2.360 34.985 32.600 0.041 0.000 1.744 222 M HN 0.696 nan 8.290 nan 0.000 0.494 223 G N 3.258 112.156 108.800 0.163 0.000 2.453 223 G HA2 0.823 4.781 3.960 -0.003 0.000 0.323 223 G HA3 0.823 4.781 3.960 -0.003 0.000 0.323 223 G C -1.989 173.099 174.900 0.314 0.000 1.198 223 G CA -0.690 44.547 45.100 0.229 0.000 0.959 223 G HN 0.720 nan 8.290 nan 0.000 0.482 224 L N 0.409 121.838 121.223 0.342 0.000 2.445 224 L HA 0.634 4.972 4.340 -0.003 0.000 0.262 224 L C -0.922 176.189 176.870 0.403 0.000 0.974 224 L CA -1.092 53.964 54.840 0.359 0.000 0.822 224 L CB 2.781 44.998 42.059 0.263 0.000 1.339 224 L HN 0.276 nan 8.230 nan 0.000 0.409 225 V N 1.091 121.234 119.914 0.381 0.000 2.488 225 V HA 0.388 4.506 4.120 -0.003 0.000 0.293 225 V C -0.502 175.750 176.094 0.264 0.000 1.027 225 V CA -0.387 62.096 62.300 0.305 0.000 0.862 225 V CB 1.845 33.883 31.823 0.358 0.000 1.008 225 V HN 0.775 nan 8.190 nan 0.000 0.428 226 S N 3.271 119.099 115.700 0.214 0.000 2.475 226 S HA 0.826 5.294 4.470 -0.003 0.000 0.298 226 S C -0.576 174.108 174.600 0.140 0.000 1.119 226 S CA -0.534 57.772 58.200 0.177 0.000 1.085 226 S CB 1.971 65.276 63.200 0.174 0.000 1.028 226 S HN 0.650 nan 8.310 nan 0.000 0.489 227 V N 3.104 123.110 119.914 0.155 0.000 3.087 227 V HA 0.486 4.604 4.120 -0.003 0.000 0.306 227 V C -0.808 175.383 176.094 0.162 0.000 1.187 227 V CA -0.626 61.769 62.300 0.158 0.000 0.999 227 V CB 2.420 34.370 31.823 0.211 0.000 1.049 227 V HN 0.872 nan 8.190 nan 0.000 0.431 228 N N 1.511 120.285 118.700 0.124 0.000 2.545 228 N HA 0.114 4.852 4.740 -0.003 0.000 0.190 228 N C 0.578 176.189 175.510 0.168 0.000 1.043 228 N CA 0.766 53.875 53.050 0.098 0.000 0.879 228 N CB 0.268 38.770 38.487 0.024 0.000 1.210 228 N HN 0.672 nan 8.380 nan 0.000 0.437 229 C N 2.582 121.964 119.300 0.137 0.000 2.648 229 C HA 0.074 4.532 4.460 -0.003 0.000 0.419 229 C C 2.179 177.268 174.990 0.165 0.000 1.352 229 C CA -0.183 58.906 59.018 0.118 0.000 1.816 229 C CB 0.138 27.920 27.740 0.069 0.000 2.598 229 C HN 0.401 nan 8.230 nan 0.000 0.598 230 E N 2.355 122.644 120.200 0.148 0.000 2.051 230 E HA -0.132 4.217 4.350 -0.003 0.000 0.192 230 E C 2.225 178.873 176.600 0.080 0.000 0.991 230 E CA 2.390 58.876 56.400 0.143 0.000 0.799 230 E CB 0.068 29.840 29.700 0.119 0.000 0.748 230 E HN 0.929 nan 8.360 nan 0.000 0.449 231 S N -0.022 115.711 115.700 0.055 0.000 2.371 231 S HA -0.117 4.351 4.470 -0.003 0.000 0.224 231 S C 1.992 176.607 174.600 0.026 0.000 1.029 231 S CA 0.845 59.059 58.200 0.023 0.000 0.978 231 S CB -0.642 62.568 63.200 0.017 0.000 0.833 231 S HN 0.257 nan 8.310 nan 0.000 0.466 232 L N 2.657 123.913 121.223 0.055 0.000 2.021 232 L HA -0.202 4.136 4.340 -0.003 0.000 0.215 232 L C 2.547 179.467 176.870 0.083 0.000 1.074 232 L CA 2.323 57.207 54.840 0.074 0.000 0.760 232 L CB -1.347 40.767 42.059 0.092 0.000 0.889 232 L HN 0.606 nan 8.230 nan 0.000 0.433 233 H N -0.901 118.157 119.070 -0.020 0.000 2.321 233 H HA -0.161 4.394 4.556 -0.003 0.000 0.300 233 H C 1.824 177.095 175.328 -0.095 0.000 1.087 233 H CA 1.786 57.773 56.048 -0.102 0.000 1.319 233 H CB 0.196 29.727 29.762 -0.385 0.000 1.379 233 H HN 0.412 nan 8.280 nan 0.000 0.501 234 N N 0.857 119.393 118.700 -0.273 0.000 2.166 234 N HA -0.118 4.621 4.740 -0.003 0.000 0.186 234 N C 2.215 177.658 175.510 -0.112 0.000 1.019 234 N CA 0.923 53.817 53.050 -0.259 0.000 0.856 234 N CB -0.383 38.034 38.487 -0.117 0.000 0.993 234 N HN 0.449 nan 8.380 nan 0.000 0.426 235 R N 0.412 120.886 120.500 -0.043 0.000 2.075 235 R HA 0.069 4.407 4.340 -0.003 0.000 0.232 235 R C 2.276 178.642 176.300 0.110 0.000 1.126 235 R CA 0.691 56.811 56.100 0.034 0.000 0.963 235 R CB -0.334 29.987 30.300 0.035 0.000 0.858 235 R HN 0.175 nan 8.270 nan 0.000 0.435 236 L N -0.009 121.257 121.223 0.073 0.000 2.093 236 L HA -0.138 4.201 4.340 -0.003 0.000 0.208 236 L C 2.600 179.545 176.870 0.125 0.000 1.085 236 L CA 1.033 55.958 54.840 0.141 0.000 0.755 236 L CB -0.196 41.968 42.059 0.176 0.000 0.904 236 L HN 0.049 nan 8.230 nan 0.000 0.435 237 R N 0.030 120.508 120.500 -0.037 0.000 2.073 237 R HA -0.187 4.151 4.340 -0.003 0.000 0.229 237 R C 2.177 178.488 176.300 0.019 0.000 1.120 237 R CA 1.448 57.500 56.100 -0.080 0.000 0.967 237 R CB -0.844 29.261 30.300 -0.324 0.000 0.862 237 R HN 0.217 nan 8.270 nan 0.000 0.436 238 F N 0.614 120.523 119.950 -0.068 0.000 2.087 238 F HA -0.209 4.317 4.527 -0.003 0.000 0.299 238 F C 1.578 177.387 175.800 0.015 0.000 1.100 238 F CA 1.827 59.813 58.000 -0.023 0.000 1.226 238 F CB -0.225 38.762 39.000 -0.021 0.000 0.983 238 F HN 0.042 nan 8.300 nan 0.000 0.479 239 L N -0.212 121.093 121.223 0.136 0.000 2.217 239 L HA -0.171 4.168 4.340 -0.003 0.000 0.211 239 L C 2.551 179.450 176.870 0.049 0.000 1.107 239 L CA 1.237 56.115 54.840 0.063 0.000 0.783 239 L CB -0.827 41.344 42.059 0.186 0.000 0.919 239 L HN 0.308 nan 8.230 nan 0.000 0.442 240 Q N 0.649 120.519 119.800 0.116 0.000 2.050 240 Q HA -0.267 4.071 4.340 -0.003 0.000 0.202 240 Q C 1.989 177.977 176.000 -0.019 0.000 0.980 240 Q CA 2.149 58.018 55.803 0.109 0.000 0.840 240 Q CB 0.012 28.729 28.738 -0.035 0.000 0.898 240 Q HN 0.409 nan 8.270 nan 0.000 0.424 241 N N -0.471 118.175 118.700 -0.091 0.000 2.106 241 N HA -0.078 4.660 4.740 -0.003 0.000 0.188 241 N C 1.651 177.063 175.510 -0.163 0.000 1.029 241 N CA 1.860 54.843 53.050 -0.113 0.000 0.848 241 N CB -0.156 38.248 38.487 -0.139 0.000 1.007 241 N HN 0.079 nan 8.380 nan 0.000 0.423 242 S N -0.373 115.140 115.700 -0.310 0.000 2.414 242 S HA 0.132 4.600 4.470 -0.003 0.000 0.227 242 S C 1.765 176.258 174.600 -0.178 0.000 1.022 242 S CA 0.475 58.472 58.200 -0.337 0.000 0.958 242 S CB 0.035 62.851 63.200 -0.640 0.000 0.797 242 S HN 0.299 nan 8.310 nan 0.000 0.493 243 L N 0.119 121.259 121.223 -0.139 0.000 2.354 243 L HA 0.241 4.580 4.340 -0.003 0.000 0.212 243 L C 1.742 178.578 176.870 -0.057 0.000 1.091 243 L CA 0.511 55.278 54.840 -0.121 0.000 0.828 243 L CB -0.595 41.361 42.059 -0.173 0.000 0.973 243 L HN 0.470 nan 8.230 nan 0.000 0.461 244 G N 0.853 109.641 108.800 -0.021 0.000 2.179 244 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.257 244 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.257 244 G C 0.470 175.387 174.900 0.029 0.000 1.010 244 G CA 0.231 45.335 45.100 0.006 0.000 0.736 244 G HN 0.473 nan 8.290 nan 0.000 0.513 245 A N 0.019 122.883 122.820 0.073 0.000 3.063 245 A HA 0.616 4.934 4.320 -0.003 0.000 0.263 245 A C 0.930 178.601 177.584 0.145 0.000 1.736 245 A CA 0.488 52.589 52.037 0.106 0.000 1.408 245 A CB -0.454 18.616 19.000 0.115 0.000 1.108 245 A HN 1.829 nan 8.150 nan 0.000 0.621 246 V N -1.149 118.793 119.914 0.046 0.000 2.713 246 V HA 0.758 4.876 4.120 -0.003 0.000 0.307 246 V C -2.517 173.569 176.094 -0.014 0.000 1.052 246 V CA -2.439 59.848 62.300 -0.022 0.000 0.967 246 V CB 1.518 33.306 31.823 -0.058 0.000 1.019 246 V HN 0.454 nan 8.190 nan 0.000 0.459 247 P HA 0.231 nan 4.420 nan 0.000 0.282 247 P C -0.028 177.254 177.300 -0.031 0.000 1.249 247 P CA -0.069 63.021 63.100 -0.016 0.000 0.806 247 P CB 1.422 33.112 31.700 -0.016 0.000 0.984 248 S N 2.804 118.490 115.700 -0.023 0.000 2.558 248 S HA 0.042 4.510 4.470 -0.003 0.000 0.293 248 S C -1.293 173.288 174.600 -0.032 0.000 1.292 248 S CA -0.757 57.423 58.200 -0.033 0.000 1.063 248 S CB -0.429 62.756 63.200 -0.024 0.000 0.831 248 S HN 0.269 nan 8.310 nan 0.000 0.499 249 P HA -0.108 nan 4.420 nan 0.000 0.218 249 P C 1.140 178.434 177.300 -0.009 0.000 1.146 249 P CA 1.257 64.332 63.100 -0.041 0.000 0.813 249 P CB 0.001 31.656 31.700 -0.074 0.000 0.778 250 I N -0.704 119.856 120.570 -0.016 0.000 2.286 250 I HA -0.190 3.979 4.170 -0.003 0.000 0.245 250 I C 1.751 177.904 176.117 0.061 0.000 1.104 250 I CA 1.426 62.733 61.300 0.011 0.000 1.397 250 I CB -0.742 37.246 38.000 -0.019 0.000 1.072 250 I HN -0.087 nan 8.210 nan 0.000 0.417 251 D N 0.759 121.175 120.400 0.027 0.000 2.144 251 D HA -0.141 4.497 4.640 -0.003 0.000 0.199 251 D C 2.304 178.616 176.300 0.020 0.000 0.984 251 D CA 1.150 55.164 54.000 0.023 0.000 0.834 251 D CB -0.386 40.420 40.800 0.010 0.000 0.955 251 D HN 0.355 nan 8.370 nan 0.000 0.465 252 C N 0.322 119.634 119.300 0.020 0.000 2.413 252 C HA -0.181 4.277 4.460 -0.003 0.000 0.276 252 C C 2.495 177.495 174.990 0.017 0.000 1.236 252 C CA 0.185 59.209 59.018 0.011 0.000 1.735 252 C CB -1.214 26.531 27.740 0.008 0.000 2.031 252 C HN 0.379 nan 8.230 nan 0.000 0.474 253 Y N 1.509 121.774 120.300 -0.057 0.000 2.128 253 Y HA -0.196 4.352 4.550 -0.003 0.000 0.284 253 Y C 2.240 178.102 175.900 -0.063 0.000 1.154 253 Y CA 1.642 59.703 58.100 -0.066 0.000 1.149 253 Y CB -0.520 37.891 38.460 -0.082 0.000 0.976 253 Y HN 0.239 nan 8.280 nan 0.000 0.505 254 L N -1.252 119.956 121.223 -0.026 0.000 2.083 254 L HA -0.254 4.084 4.340 -0.003 0.000 0.209 254 L C 2.852 179.626 176.870 -0.160 0.000 1.083 254 L CA 1.293 56.067 54.840 -0.109 0.000 0.752 254 L CB -0.894 41.166 42.059 0.002 0.000 0.899 254 L HN 0.442 nan 8.230 nan 0.000 0.433 255 C N 0.251 119.491 119.300 -0.100 0.000 2.429 255 C HA -0.180 4.279 4.460 -0.003 0.000 0.277 255 C C 2.575 177.490 174.990 -0.125 0.000 1.262 255 C CA 1.484 60.452 59.018 -0.083 0.000 1.733 255 C CB -1.063 26.649 27.740 -0.047 0.000 2.010 255 C HN 0.588 nan 8.230 nan 0.000 0.483 256 N N -0.491 118.108 118.700 -0.168 0.000 2.223 256 N HA -0.170 4.569 4.740 -0.003 0.000 0.185 256 N C 2.182 177.546 175.510 -0.244 0.000 1.016 256 N CA 0.843 53.783 53.050 -0.183 0.000 0.863 256 N CB -0.261 38.124 38.487 -0.170 0.000 0.983 256 N HN 0.542 nan 8.380 nan 0.000 0.429 257 R N 0.051 120.327 120.500 -0.374 0.000 2.073 257 R HA -0.055 4.284 4.340 -0.003 0.000 0.229 257 R C 2.180 178.345 176.300 -0.224 0.000 1.120 257 R CA 1.448 57.328 56.100 -0.367 0.000 0.967 257 R CB -0.417 29.582 30.300 -0.503 0.000 0.862 257 R HN 0.222 nan 8.270 nan 0.000 0.436 258 G N 1.177 109.857 108.800 -0.200 0.000 2.422 258 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.218 258 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.218 258 G C 1.468 176.394 174.900 0.043 0.000 1.146 258 G CA 0.463 45.520 45.100 -0.072 0.000 0.769 258 G HN 0.239 nan 8.290 nan 0.000 0.547 259 L N 0.199 121.414 121.223 -0.015 0.000 2.191 259 L HA -0.042 4.297 4.340 -0.003 0.000 0.212 259 L C 2.619 179.506 176.870 0.029 0.000 1.103 259 L CA 0.816 55.660 54.840 0.006 0.000 0.769 259 L CB -0.181 41.847 42.059 -0.052 0.000 0.908 259 L HN 0.163 nan 8.230 nan 0.000 0.438 260 K N -0.347 120.048 120.400 -0.008 0.000 2.442 260 K HA -0.085 4.234 4.320 -0.003 0.000 0.198 260 K C 1.569 178.247 176.600 0.129 0.000 1.042 260 K CA 1.539 57.835 56.287 0.015 0.000 0.958 260 K CB -0.305 32.167 32.500 -0.046 0.000 0.766 260 K HN 0.456 nan 8.250 nan 0.000 0.474 261 T N -2.382 112.243 114.554 0.119 0.000 3.084 261 T HA 0.120 4.468 4.350 -0.003 0.000 0.270 261 T C 1.486 176.213 174.700 0.045 0.000 1.008 261 T CA -0.387 61.757 62.100 0.074 0.000 0.900 261 T CB 0.033 68.935 68.868 0.056 0.000 1.084 261 T HN -0.074 nan 8.240 nan 0.000 0.538 262 L N 3.152 124.457 121.223 0.136 0.000 2.043 262 L HA -0.176 4.162 4.340 -0.003 0.000 0.212 262 L C 2.722 179.485 176.870 -0.178 0.000 1.075 262 L CA 2.299 57.172 54.840 0.055 0.000 0.752 262 L CB -0.770 41.383 42.059 0.157 0.000 0.891 262 L HN 0.612 nan 8.230 nan 0.000 0.432 263 H N -0.677 118.193 119.070 -0.334 0.000 2.321 263 H HA -0.105 4.450 4.556 -0.003 0.000 0.300 263 H C 2.129 177.107 175.328 -0.584 0.000 1.087 263 H CA 2.283 57.847 56.048 -0.806 0.000 1.319 263 H CB -1.687 27.851 29.762 -0.374 0.000 1.379 263 H HN 0.377 nan 8.280 nan 0.000 0.501 264 V N -0.310 119.128 119.914 -0.794 0.000 2.667 264 V HA -0.028 4.090 4.120 -0.003 0.000 0.252 264 V C 2.634 178.550 176.094 -0.296 0.000 1.065 264 V CA 1.199 63.182 62.300 -0.528 0.000 1.083 264 V CB -0.562 30.949 31.823 -0.520 0.000 0.692 264 V HN 0.135 nan 8.190 nan 0.000 0.468 265 R N -0.590 119.769 120.500 -0.236 0.000 2.062 265 R HA 0.018 4.356 4.340 -0.003 0.000 0.231 265 R C 2.443 178.707 176.300 -0.061 0.000 1.136 265 R CA 1.903 57.925 56.100 -0.130 0.000 0.948 265 R CB -0.431 29.871 30.300 0.004 0.000 0.845 265 R HN 0.381 nan 8.270 nan 0.000 0.430 266 M N 0.842 120.379 119.600 -0.105 0.000 2.159 266 M HA -0.110 4.369 4.480 -0.003 0.000 0.263 266 M C 1.877 178.290 176.300 0.188 0.000 1.063 266 M CA 1.469 56.764 55.300 -0.008 0.000 1.110 266 M CB -0.750 31.585 32.600 -0.442 0.000 1.374 266 M HN 0.056 nan 8.290 nan 0.000 0.411 267 E N 0.230 120.437 120.200 0.012 0.000 2.110 267 E HA -0.204 4.144 4.350 -0.003 0.000 0.193 267 E C 2.026 178.732 176.600 0.176 0.000 0.988 267 E CA 1.130 57.656 56.400 0.209 0.000 0.804 267 E CB -0.259 29.469 29.700 0.046 0.000 0.745 267 E HN 0.321 nan 8.360 nan 0.000 0.458 268 K N 0.379 120.800 120.400 0.035 0.000 2.062 268 K HA -0.103 4.216 4.320 -0.003 0.000 0.205 268 K C 1.992 178.620 176.600 0.047 0.000 1.051 268 K CA 1.140 57.416 56.287 -0.019 0.000 0.941 268 K CB -0.268 32.153 32.500 -0.132 0.000 0.719 268 K HN 0.161 nan 8.250 nan 0.000 0.440 269 H N -0.663 118.501 119.070 0.158 0.000 2.352 269 H HA -0.152 4.403 4.556 -0.002 0.000 0.299 269 H C 1.879 177.387 175.328 0.300 0.000 1.097 269 H CA 1.678 57.852 56.048 0.211 0.000 1.311 269 H CB -0.380 29.500 29.762 0.196 0.000 1.377 269 H HN 0.186 nan 8.280 nan 0.000 0.504 270 F N 2.040 122.158 119.950 0.280 0.000 2.102 270 F HA -0.143 4.383 4.527 -0.003 0.000 0.298 270 F C 2.463 178.350 175.800 0.146 0.000 1.105 270 F CA 1.507 59.624 58.000 0.195 0.000 1.239 270 F CB -0.465 38.651 39.000 0.194 0.000 0.991 270 F HN -0.002 nan 8.300 nan 0.000 0.474 271 K N 0.034 120.519 120.400 0.141 0.000 2.002 271 K HA -0.201 4.117 4.320 -0.003 0.000 0.209 271 K C 1.890 178.504 176.600 0.023 0.000 1.048 271 K CA 1.655 57.921 56.287 -0.034 0.000 0.930 271 K CB -0.204 32.274 32.500 -0.037 0.000 0.714 271 K HN 0.168 nan 8.250 nan 0.000 0.438 272 N N 0.151 118.892 118.700 0.067 0.000 2.166 272 N HA -0.103 4.636 4.740 -0.003 0.000 0.186 272 N C 1.729 177.286 175.510 0.078 0.000 1.019 272 N CA 1.314 54.402 53.050 0.063 0.000 0.856 272 N CB -0.638 37.887 38.487 0.064 0.000 0.993 272 N HN 0.384 nan 8.380 nan 0.000 0.426 273 G N 0.671 109.551 108.800 0.132 0.000 2.421 273 G HA2 -0.247 3.712 3.960 -0.003 0.000 0.216 273 G HA3 -0.247 3.712 3.960 -0.003 0.000 0.216 273 G C 1.603 176.367 174.900 -0.227 0.000 1.171 273 G CA 0.916 46.033 45.100 0.028 0.000 0.775 273 G HN 0.216 nan 8.290 nan 0.000 0.543 274 M N 1.466 121.066 119.600 0.001 0.000 2.117 274 M HA 0.197 4.676 4.480 -0.003 0.000 0.262 274 M C 2.656 178.944 176.300 -0.019 0.000 1.065 274 M CA 1.630 56.944 55.300 0.025 0.000 1.114 274 M CB -0.385 32.280 32.600 0.108 0.000 1.361 274 M HN 0.225 nan 8.290 nan 0.000 0.408 275 A N -1.073 121.744 122.820 -0.004 0.000 1.902 275 A HA -0.094 4.224 4.320 -0.003 0.000 0.217 275 A C 2.174 179.785 177.584 0.044 0.000 1.181 275 A CA 1.964 54.012 52.037 0.019 0.000 0.623 275 A CB -1.197 17.810 19.000 0.011 0.000 0.818 275 A HN 0.375 nan 8.150 nan 0.000 0.443 276 V N -0.251 119.673 119.914 0.018 0.000 2.307 276 V HA -0.209 3.909 4.120 -0.003 0.000 0.245 276 V C 3.071 179.178 176.094 0.022 0.000 1.045 276 V CA 1.847 64.177 62.300 0.051 0.000 1.024 276 V CB -1.183 30.686 31.823 0.077 0.000 0.651 276 V HN 0.617 nan 8.190 nan 0.000 0.449 277 A N -0.795 121.953 122.820 -0.120 0.000 1.883 277 A HA -0.325 3.994 4.320 -0.003 0.000 0.217 277 A C 2.163 179.739 177.584 -0.013 0.000 1.186 277 A CA 2.218 54.178 52.037 -0.129 0.000 0.624 277 A CB -0.557 18.245 19.000 -0.331 0.000 0.822 277 A HN 0.623 nan 8.150 nan 0.000 0.444 278 Q N -1.937 117.876 119.800 0.021 0.000 2.084 278 Q HA -0.148 4.191 4.340 -0.003 0.000 0.202 278 Q C 1.917 177.938 176.000 0.035 0.000 0.978 278 Q CA 1.595 57.421 55.803 0.039 0.000 0.844 278 Q CB -0.314 28.457 28.738 0.054 0.000 0.898 278 Q HN 0.767 nan 8.270 nan 0.000 0.426 279 F N 1.216 121.130 119.950 -0.061 0.000 2.069 279 F HA -0.228 4.297 4.527 -0.003 0.000 0.298 279 F C 1.699 177.436 175.800 -0.105 0.000 1.113 279 F CA 1.413 59.373 58.000 -0.067 0.000 1.214 279 F CB -0.204 38.763 39.000 -0.056 0.000 0.978 279 F HN -0.042 nan 8.300 nan 0.000 0.474 280 L N 0.130 121.250 121.223 -0.172 0.000 2.083 280 L HA -0.208 4.130 4.340 -0.003 0.000 0.209 280 L C 2.464 179.157 176.870 -0.295 0.000 1.083 280 L CA 1.928 56.545 54.840 -0.372 0.000 0.752 280 L CB -0.889 40.935 42.059 -0.392 0.000 0.899 280 L HN 0.268 nan 8.230 nan 0.000 0.433 281 E N 0.176 120.277 120.200 -0.166 0.000 2.208 281 E HA -0.181 4.168 4.350 -0.003 0.000 0.193 281 E C 2.111 178.623 176.600 -0.147 0.000 0.988 281 E CA 1.112 57.447 56.400 -0.108 0.000 0.828 281 E CB 0.144 29.822 29.700 -0.036 0.000 0.763 281 E HN 0.476 nan 8.360 nan 0.000 0.478 282 S N -0.254 115.326 115.700 -0.199 0.000 2.562 282 S HA 0.006 4.474 4.470 -0.003 0.000 0.221 282 S C 0.772 175.207 174.600 -0.274 0.000 0.975 282 S CA -0.342 57.737 58.200 -0.202 0.000 0.918 282 S CB -0.040 63.056 63.200 -0.174 0.000 0.772 282 S HN 0.100 nan 8.310 nan 0.000 0.531 283 N N 2.624 121.104 118.700 -0.366 0.000 2.422 283 N HA 0.278 5.017 4.740 -0.003 0.000 0.264 283 N C -2.318 173.021 175.510 -0.285 0.000 1.063 283 N CA -1.667 51.153 53.050 -0.383 0.000 0.959 283 N CB 1.631 39.800 38.487 -0.530 0.000 1.087 283 N HN 0.008 nan 8.380 nan 0.000 0.483 284 P HA -0.018 nan 4.420 nan 0.000 0.228 284 P C 0.277 177.230 177.300 -0.578 0.000 1.151 284 P CA 1.012 63.831 63.100 -0.467 0.000 0.770 284 P CB 0.032 31.370 31.700 -0.603 0.000 0.786 285 W N -1.323 119.844 121.300 -0.221 0.000 3.278 285 W HA 0.159 4.818 4.660 -0.003 0.000 0.308 285 W C -0.126 176.286 176.519 -0.178 0.000 1.253 285 W CA -0.287 56.878 57.345 -0.299 0.000 1.759 285 W CB 0.483 29.756 29.460 -0.312 0.000 1.093 285 W HN -0.374 nan 8.180 nan 0.000 0.648 286 V N 1.311 121.240 119.914 0.024 0.000 2.370 286 V HA 0.072 4.190 4.120 -0.003 0.000 0.279 286 V C 0.986 177.110 176.094 0.049 0.000 1.029 286 V CA -0.319 62.024 62.300 0.072 0.000 0.870 286 V CB 1.552 33.341 31.823 -0.057 0.000 0.984 286 V HN -0.091 nan 8.190 nan 0.000 0.451 287 E N 4.415 124.689 120.200 0.124 0.000 2.072 287 E HA -0.011 4.338 4.350 -0.003 0.000 0.190 287 E C 0.698 177.339 176.600 0.068 0.000 0.982 287 E CA 1.348 57.788 56.400 0.067 0.000 0.803 287 E CB 0.265 30.013 29.700 0.081 0.000 0.755 287 E HN 0.635 nan 8.360 nan 0.000 0.453 288 K N -0.876 119.631 120.400 0.178 0.000 2.572 288 K HA 0.366 4.684 4.320 -0.003 0.000 0.263 288 K C -1.908 174.872 176.600 0.300 0.000 0.932 288 K CA -0.674 55.724 56.287 0.186 0.000 0.838 288 K CB 1.784 34.369 32.500 0.141 0.000 1.366 288 K HN -0.082 nan 8.250 nan 0.000 0.425 289 V N 4.698 124.739 119.914 0.211 0.000 2.555 289 V HA 0.524 4.642 4.120 -0.003 0.000 0.302 289 V C -0.311 175.921 176.094 0.231 0.000 1.038 289 V CA -0.797 61.641 62.300 0.230 0.000 0.887 289 V CB 1.632 33.539 31.823 0.141 0.000 0.991 289 V HN 0.613 nan 8.190 nan 0.000 0.434 290 I N 5.132 125.860 120.570 0.264 0.000 2.359 290 I HA 0.463 4.632 4.170 -0.003 0.000 0.284 290 I C -1.342 175.026 176.117 0.418 0.000 1.018 290 I CA -0.524 60.947 61.300 0.286 0.000 1.173 290 I CB 0.958 39.094 38.000 0.227 0.000 1.326 290 I HN 0.602 nan 8.210 nan 0.000 0.462 291 Y N 8.731 129.216 120.300 0.308 0.000 2.362 291 Y HA 0.384 4.932 4.550 -0.003 0.000 0.326 291 Y C -2.377 173.659 175.900 0.227 0.000 1.083 291 Y CA -2.153 56.092 58.100 0.241 0.000 1.073 291 Y CB 2.324 40.894 38.460 0.184 0.000 1.211 291 Y HN 0.303 nan 8.280 nan 0.000 0.433 292 P HA -0.046 nan 4.420 nan 0.000 0.223 292 P C 1.206 178.396 177.300 -0.183 0.000 1.144 292 P CA 1.927 64.698 63.100 -0.547 0.000 0.783 292 P CB 0.331 31.671 31.700 -0.600 0.000 0.771 293 G N -1.400 107.162 108.800 -0.396 0.000 2.880 293 G HA2 0.041 3.999 3.960 -0.003 0.000 0.209 293 G HA3 0.041 3.999 3.960 -0.003 0.000 0.209 293 G C 0.360 175.459 174.900 0.333 0.000 1.157 293 G CA -0.102 45.121 45.100 0.206 0.000 0.779 293 G HN 0.213 nan 8.290 nan 0.000 0.539 294 L N 0.759 122.115 121.223 0.222 0.000 2.305 294 L HA 0.232 4.571 4.340 -0.003 0.000 0.281 294 L C -1.240 175.393 176.870 -0.395 0.000 1.085 294 L CA -1.887 52.980 54.840 0.045 0.000 0.813 294 L CB 1.962 44.121 42.059 0.168 0.000 1.157 294 L HN -0.088 nan 8.230 nan 0.000 0.436 295 P HA -0.204 nan 4.420 nan 0.000 0.218 295 P C 1.468 178.632 177.300 -0.227 0.000 1.146 295 P CA 1.239 63.969 63.100 -0.617 0.000 0.820 295 P CB 0.143 31.691 31.700 -0.254 0.000 0.778 296 S N -2.601 113.042 115.700 -0.096 0.000 2.474 296 S HA -0.160 4.309 4.470 -0.003 0.000 0.235 296 S C 1.112 175.736 174.600 0.041 0.000 0.997 296 S CA 0.260 58.454 58.200 -0.011 0.000 0.949 296 S CB -1.315 61.891 63.200 0.009 0.000 0.766 296 S HN 0.233 nan 8.310 nan 0.000 0.517 297 H N 4.012 123.087 119.070 0.009 0.000 2.886 297 H HA 0.135 4.689 4.556 -0.003 0.000 0.329 297 H C -1.572 173.800 175.328 0.074 0.000 1.044 297 H CA -1.088 55.001 56.048 0.068 0.000 1.456 297 H CB 1.314 31.136 29.762 0.099 0.000 1.464 297 H HN 0.132 nan 8.280 nan 0.000 0.573 298 P HA -0.106 nan 4.420 nan 0.000 0.222 298 P C 0.278 177.671 177.300 0.154 0.000 1.147 298 P CA 1.084 64.196 63.100 0.019 0.000 0.790 298 P CB 0.405 32.062 31.700 -0.072 0.000 0.780 299 Q N -1.823 118.200 119.800 0.372 0.000 2.211 299 Q HA 0.068 4.406 4.340 -0.003 0.000 0.231 299 Q C 1.396 177.498 176.000 0.170 0.000 0.865 299 Q CA -0.141 55.808 55.803 0.243 0.000 0.997 299 Q CB -0.630 28.232 28.738 0.206 0.000 1.101 299 Q HN 0.301 nan 8.270 nan 0.000 0.468 300 H N 0.939 120.075 119.070 0.111 0.000 2.387 300 H HA -0.126 4.428 4.556 -0.003 0.000 0.299 300 H C 1.307 176.576 175.328 -0.099 0.000 1.099 300 H CA 1.832 57.874 56.048 -0.011 0.000 1.315 300 H CB 0.651 30.426 29.762 0.021 0.000 1.380 300 H HN 0.168 nan 8.280 nan 0.000 0.513 301 E N 0.298 120.420 120.200 -0.130 0.000 2.158 301 E HA -0.103 4.245 4.350 -0.003 0.000 0.191 301 E C 2.535 179.029 176.600 -0.177 0.000 0.982 301 E CA 0.362 56.641 56.400 -0.202 0.000 0.823 301 E CB -0.367 29.282 29.700 -0.085 0.000 0.766 301 E HN 0.496 nan 8.360 nan 0.000 0.468 302 L N 0.884 122.048 121.223 -0.100 0.000 2.042 302 L HA -0.184 4.155 4.340 -0.003 0.000 0.210 302 L C 2.295 179.093 176.870 -0.119 0.000 1.076 302 L CA 1.158 55.952 54.840 -0.075 0.000 0.749 302 L CB -0.211 41.834 42.059 -0.024 0.000 0.893 302 L HN -0.001 nan 8.230 nan 0.000 0.432 303 V N 0.198 120.009 119.914 -0.172 0.000 2.287 303 V HA -0.322 3.796 4.120 -0.003 0.000 0.248 303 V C 2.485 178.448 176.094 -0.218 0.000 1.053 303 V CA 1.947 64.135 62.300 -0.186 0.000 1.027 303 V CB -0.597 31.089 31.823 -0.229 0.000 0.646 303 V HN 0.462 nan 8.190 nan 0.000 0.447 304 K N -0.302 119.823 120.400 -0.458 0.000 2.211 304 K HA -0.097 4.222 4.320 -0.003 0.000 0.203 304 K C 2.284 178.732 176.600 -0.254 0.000 1.050 304 K CA 0.976 56.917 56.287 -0.577 0.000 0.945 304 K CB -0.185 31.807 32.500 -0.847 0.000 0.732 304 K HN 0.434 nan 8.250 nan 0.000 0.451 305 R N 0.476 120.871 120.500 -0.175 0.000 2.161 305 R HA -0.076 4.262 4.340 -0.003 0.000 0.213 305 R C 2.154 178.434 176.300 -0.032 0.000 1.055 305 R CA 0.888 56.936 56.100 -0.087 0.000 0.996 305 R CB 0.102 30.362 30.300 -0.066 0.000 0.901 305 R HN 0.247 nan 8.270 nan 0.000 0.456 306 Q N -0.563 119.220 119.800 -0.028 0.000 2.352 306 Q HA 0.092 4.431 4.340 -0.003 0.000 0.212 306 Q C -0.599 175.430 176.000 0.048 0.000 0.888 306 Q CA 0.247 56.059 55.803 0.014 0.000 0.934 306 Q CB 0.814 29.552 28.738 -0.001 0.000 1.093 306 Q HN 0.176 nan 8.270 nan 0.000 0.523 307 C N -0.861 118.461 119.300 0.037 0.000 2.994 307 C HA 0.355 4.814 4.460 -0.003 0.000 0.305 307 C C 1.161 176.161 174.990 0.017 0.000 1.251 307 C CA -0.342 58.703 59.018 0.045 0.000 1.478 307 C CB 1.584 29.326 27.740 0.003 0.000 1.922 307 C HN 0.473 nan 8.230 nan 0.000 0.472 308 T N -1.632 112.837 114.554 -0.141 0.000 3.081 308 T HA 0.501 4.850 4.350 -0.003 0.000 0.250 308 T C 0.633 175.029 174.700 -0.507 0.000 1.100 308 T CA 0.750 62.624 62.100 -0.377 0.000 1.038 308 T CB 0.028 68.436 68.868 -0.767 0.000 0.962 308 T HN 1.656 nan 8.240 nan 0.000 0.516 309 G N -0.799 107.556 108.800 -0.741 0.000 2.317 309 G HA2 0.439 4.397 3.960 -0.003 0.000 0.293 309 G HA3 0.439 4.397 3.960 -0.003 0.000 0.293 309 G C -1.539 172.078 174.900 -2.139 0.000 1.287 309 G CA -0.375 43.671 45.100 -1.757 0.000 0.850 309 G HN 0.431 nan 8.290 nan 0.000 0.515 310 C N -0.679 116.868 119.300 -2.920 0.000 2.913 310 C HA 0.969 5.428 4.460 -0.003 0.000 0.322 310 C C 1.084 175.336 174.990 -1.231 0.000 1.292 310 C CA 0.093 58.112 59.018 -1.665 0.000 1.649 310 C CB 1.224 28.343 27.740 -1.035 0.000 2.139 310 C HN 1.275 nan 8.230 nan 0.000 0.475 311 T N -1.308 113.004 114.554 -0.404 0.000 2.898 311 T HA 0.521 4.869 4.350 -0.003 0.000 0.283 311 T C 1.099 176.002 174.700 0.338 0.000 1.059 311 T CA 0.463 62.555 62.100 -0.014 0.000 0.958 311 T CB 0.522 69.395 68.868 0.007 0.000 1.594 311 T HN 0.928 nan 8.240 nan 0.000 0.598 312 G N -0.081 108.948 108.800 0.381 0.000 2.985 312 G HA2 0.199 4.157 3.960 -0.003 0.000 0.209 312 G HA3 0.199 4.157 3.960 -0.003 0.000 0.209 312 G C 0.572 175.698 174.900 0.378 0.000 1.165 312 G CA -0.279 45.068 45.100 0.412 0.000 0.776 312 G HN 0.499 nan 8.290 nan 0.000 0.541 313 M N 1.853 121.701 119.600 0.413 0.000 2.220 313 M HA 0.297 4.775 4.480 -0.003 0.000 0.343 313 M C -0.786 175.736 176.300 0.371 0.000 1.470 313 M CA -0.306 55.194 55.300 0.333 0.000 1.161 313 M CB 0.481 33.241 32.600 0.267 0.000 1.737 313 M HN -0.215 nan 8.290 nan 0.000 0.464 314 V N 3.502 123.583 119.914 0.278 0.000 2.525 314 V HA 0.504 4.622 4.120 -0.003 0.000 0.299 314 V C 0.066 176.301 176.094 0.234 0.000 1.034 314 V CA -0.634 61.819 62.300 0.255 0.000 0.863 314 V CB 2.175 34.059 31.823 0.102 0.000 0.999 314 V HN 0.811 nan 8.190 nan 0.000 0.423 315 T N 6.070 120.756 114.554 0.221 0.000 2.823 315 T HA 0.821 5.170 4.350 -0.003 0.000 0.279 315 T C -0.730 174.071 174.700 0.168 0.000 0.998 315 T CA -0.245 61.922 62.100 0.111 0.000 0.994 315 T CB 1.091 69.970 68.868 0.019 0.000 0.960 315 T HN 0.635 nan 8.240 nan 0.000 0.448 316 F N 0.607 120.461 119.950 -0.159 0.000 2.662 316 F HA 0.762 5.288 4.527 -0.001 0.000 0.312 316 F C -2.248 173.370 175.800 -0.303 0.000 1.113 316 F CA -1.659 56.256 58.000 -0.143 0.000 0.951 316 F CB 1.220 40.181 39.000 -0.065 0.000 1.344 316 F HN 0.407 nan 8.300 nan 0.000 0.462 317 Y N 3.162 123.468 120.300 0.010 0.000 2.328 317 Y HA 0.512 5.060 4.550 -0.003 0.000 0.337 317 Y C 0.119 176.046 175.900 0.045 0.000 0.966 317 Y CA -0.933 57.106 58.100 -0.102 0.000 1.136 317 Y CB 1.582 40.031 38.460 -0.018 0.000 1.170 317 Y HN 0.731 nan 8.280 nan 0.000 0.470 318 I N 4.015 124.610 120.570 0.041 0.000 2.638 318 I HA 0.136 4.304 4.170 -0.003 0.000 0.286 318 I C -0.150 176.087 176.117 0.199 0.000 1.088 318 I CA -0.411 60.999 61.300 0.184 0.000 1.397 318 I CB 0.441 38.495 38.000 0.090 0.000 1.414 318 I HN 0.551 nan 8.210 nan 0.000 0.566 319 K N 5.368 125.894 120.400 0.210 0.000 2.350 319 K HA 0.443 4.762 4.320 -0.003 0.000 0.279 319 K C 0.286 176.988 176.600 0.171 0.000 1.027 319 K CA 0.645 57.030 56.287 0.163 0.000 0.969 319 K CB 0.808 33.395 32.500 0.145 0.000 0.954 319 K HN 0.958 nan 8.250 nan 0.000 0.474 320 G N 1.407 110.282 108.800 0.124 0.000 2.456 320 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.204 320 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.204 320 G C -0.403 174.653 174.900 0.260 0.000 1.193 320 G CA -0.231 44.940 45.100 0.119 0.000 1.220 320 G HN 0.708 nan 8.290 nan 0.000 0.565 321 T N -1.819 113.016 114.554 0.468 0.000 2.807 321 T HA 0.660 5.008 4.350 -0.003 0.000 0.277 321 T C 1.425 176.222 174.700 0.161 0.000 1.006 321 T CA 0.273 62.514 62.100 0.235 0.000 1.006 321 T CB 1.453 70.413 68.868 0.153 0.000 1.274 321 T HN 1.443 nan 8.240 nan 0.000 0.569 322 L N 0.668 121.935 121.223 0.074 0.000 2.043 322 L HA -0.164 4.174 4.340 -0.003 0.000 0.212 322 L C 2.494 179.365 176.870 0.001 0.000 1.075 322 L CA 2.340 57.202 54.840 0.036 0.000 0.752 322 L CB -1.354 40.715 42.059 0.017 0.000 0.891 322 L HN 1.030 nan 8.230 nan 0.000 0.432 323 Q N -0.855 118.904 119.800 -0.068 0.000 2.096 323 Q HA -0.273 4.065 4.340 -0.003 0.000 0.204 323 Q C 2.053 177.939 176.000 -0.189 0.000 0.982 323 Q CA 2.286 57.990 55.803 -0.165 0.000 0.850 323 Q CB -0.182 28.388 28.738 -0.280 0.000 0.901 323 Q HN 0.681 nan 8.270 nan 0.000 0.422 324 H N -0.378 118.663 119.070 -0.047 0.000 2.353 324 H HA -0.049 4.505 4.556 -0.002 0.000 0.300 324 H C 2.048 177.392 175.328 0.026 0.000 1.090 324 H CA 1.464 57.461 56.048 -0.086 0.000 1.327 324 H CB -0.135 29.555 29.762 -0.120 0.000 1.383 324 H HN 0.449 nan 8.280 nan 0.000 0.508 325 A N 1.147 124.060 122.820 0.155 0.000 1.883 325 A HA -0.244 4.074 4.320 -0.003 0.000 0.217 325 A C 2.095 179.776 177.584 0.161 0.000 1.186 325 A CA 1.996 54.114 52.037 0.135 0.000 0.624 325 A CB -0.384 18.645 19.000 0.049 0.000 0.822 325 A HN 0.509 nan 8.150 nan 0.000 0.444 326 E N -0.447 119.797 120.200 0.075 0.000 2.072 326 E HA -0.130 4.218 4.350 -0.003 0.000 0.191 326 E C 1.921 178.544 176.600 0.038 0.000 0.985 326 E CA 1.179 57.604 56.400 0.043 0.000 0.801 326 E CB -0.280 29.420 29.700 -0.000 0.000 0.750 326 E HN 0.710 nan 8.360 nan 0.000 0.452 327 I N 0.636 121.223 120.570 0.028 0.000 2.202 327 I HA -0.248 3.921 4.170 -0.003 0.000 0.242 327 I C 2.314 178.464 176.117 0.055 0.000 1.091 327 I CA 0.793 62.099 61.300 0.010 0.000 1.368 327 I CB -0.282 37.699 38.000 -0.033 0.000 1.058 327 I HN 0.076 nan 8.210 nan 0.000 0.410 328 F N 2.008 121.964 119.950 0.010 0.000 2.043 328 F HA -0.298 4.227 4.527 -0.003 0.000 0.297 328 F C 2.246 178.067 175.800 0.035 0.000 1.118 328 F CA 1.931 59.960 58.000 0.048 0.000 1.202 328 F CB -0.557 38.505 39.000 0.104 0.000 0.965 328 F HN -0.124 nan 8.300 nan 0.000 0.482 329 L N 0.326 121.501 121.223 -0.080 0.000 2.012 329 L HA -0.261 4.077 4.340 -0.003 0.000 0.210 329 L C 2.646 179.417 176.870 -0.164 0.000 1.073 329 L CA 2.003 56.738 54.840 -0.175 0.000 0.748 329 L CB -0.855 41.219 42.059 0.025 0.000 0.891 329 L HN 0.189 nan 8.230 nan 0.000 0.431 330 K N 0.074 120.421 120.400 -0.087 0.000 2.211 330 K HA -0.171 4.148 4.320 -0.003 0.000 0.204 330 K C 1.592 178.140 176.600 -0.087 0.000 1.047 330 K CA 1.263 57.511 56.287 -0.066 0.000 0.935 330 K CB 0.010 32.486 32.500 -0.039 0.000 0.728 330 K HN 0.402 nan 8.250 nan 0.000 0.452 331 N N 0.536 119.158 118.700 -0.131 0.000 2.353 331 N HA 0.026 4.764 4.740 -0.003 0.000 0.185 331 N C -0.049 175.378 175.510 -0.137 0.000 1.098 331 N CA 0.048 53.032 53.050 -0.111 0.000 0.872 331 N CB 0.278 38.717 38.487 -0.080 0.000 0.970 331 N HN 0.123 nan 8.380 nan 0.000 0.467 332 L N 1.417 122.507 121.223 -0.221 0.000 2.499 332 L HA -0.011 4.328 4.340 -0.003 0.000 0.273 332 L C 1.345 178.192 176.870 -0.038 0.000 1.195 332 L CA 0.537 55.281 54.840 -0.161 0.000 0.882 332 L CB 0.598 42.540 42.059 -0.195 0.000 1.133 332 L HN -0.086 nan 8.230 nan 0.000 0.483 333 K N 2.211 122.618 120.400 0.011 0.000 2.391 333 K HA 0.090 4.409 4.320 -0.003 0.000 0.197 333 K C 0.837 177.463 176.600 0.044 0.000 1.087 333 K CA -0.052 56.248 56.287 0.022 0.000 1.012 333 K CB 0.584 33.092 32.500 0.012 0.000 0.925 333 K HN 0.422 nan 8.250 nan 0.000 0.547 334 L N -0.320 120.958 121.223 0.091 0.000 2.588 334 L HA 0.394 4.732 4.340 -0.003 0.000 0.194 334 L C -0.187 176.716 176.870 0.055 0.000 1.070 334 L CA 0.584 55.458 54.840 0.058 0.000 0.852 334 L CB 0.063 42.146 42.059 0.040 0.000 1.199 334 L HN -0.166 nan 8.230 nan 0.000 0.486 335 F N 1.462 121.414 119.950 0.003 0.000 2.607 335 F HA 0.222 4.747 4.527 -0.003 0.000 0.374 335 F C 0.809 176.615 175.800 0.010 0.000 1.104 335 F CA 0.698 58.712 58.000 0.023 0.000 1.296 335 F CB 0.135 39.153 39.000 0.031 0.000 1.085 335 F HN -0.060 nan 8.300 nan 0.000 0.584 336 T N 5.049 119.705 114.554 0.170 0.000 2.824 336 T HA 0.499 4.848 4.350 -0.003 0.000 0.280 336 T C -0.190 174.581 174.700 0.117 0.000 0.995 336 T CA -0.743 61.421 62.100 0.107 0.000 1.009 336 T CB 0.819 69.727 68.868 0.067 0.000 0.955 336 T HN 0.269 nan 8.240 nan 0.000 0.452 337 L N 2.930 124.201 121.223 0.080 0.000 2.313 337 L HA 0.718 5.056 4.340 -0.003 0.000 0.282 337 L C 0.403 177.308 176.870 0.059 0.000 1.092 337 L CA -0.399 54.483 54.840 0.070 0.000 0.831 337 L CB 0.324 42.409 42.059 0.043 0.000 1.159 337 L HN 0.786 nan 8.230 nan 0.000 0.442 338 A N 2.905 125.763 122.820 0.064 0.000 2.536 338 A HA 0.489 4.807 4.320 -0.003 0.000 0.293 338 A C -0.080 177.537 177.584 0.056 0.000 1.119 338 A CA -0.608 51.461 52.037 0.053 0.000 0.654 338 A CB 1.204 20.235 19.000 0.051 0.000 1.291 338 A HN 0.780 nan 8.150 nan 0.000 0.439 339 E N 0.088 120.319 120.200 0.051 0.000 2.498 339 E HA 0.196 4.545 4.350 -0.003 0.000 0.203 339 E C 0.882 177.523 176.600 0.070 0.000 1.013 339 E CA 0.626 57.061 56.400 0.059 0.000 0.927 339 E CB 0.308 30.041 29.700 0.055 0.000 1.012 339 E HN 0.619 nan 8.360 nan 0.000 0.482 340 S N 0.721 116.455 115.700 0.057 0.000 2.521 340 S HA 0.659 5.127 4.470 -0.003 0.000 0.278 340 S C -0.132 174.496 174.600 0.047 0.000 1.140 340 S CA -0.720 57.510 58.200 0.049 0.000 1.028 340 S CB 1.235 64.443 63.200 0.014 0.000 1.203 340 S HN 0.268 nan 8.310 nan 0.000 0.491 341 L N -2.584 118.640 121.223 0.001 0.000 2.921 341 L HA 0.529 4.868 4.340 -0.003 0.000 0.261 341 L C 0.294 177.051 176.870 -0.188 0.000 0.984 341 L CA 0.432 55.263 54.840 -0.015 0.000 0.951 341 L CB 1.096 43.246 42.059 0.152 0.000 1.495 341 L HN 1.273 nan 8.230 nan 0.000 0.414 342 G N 1.285 109.892 108.800 -0.323 0.000 2.148 342 G HA2 -0.154 3.805 3.960 -0.003 0.000 0.254 342 G HA3 -0.154 3.805 3.960 -0.003 0.000 0.254 342 G C 0.266 174.863 174.900 -0.506 0.000 0.981 342 G CA 0.385 44.995 45.100 -0.818 0.000 0.670 342 G HN 1.175 nan 8.290 nan 0.000 0.528 343 G N -0.730 107.899 108.800 -0.285 0.000 2.557 343 G HA2 0.677 4.635 3.960 -0.003 0.000 0.302 343 G HA3 0.677 4.635 3.960 -0.003 0.000 0.302 343 G C 0.829 175.678 174.900 -0.085 0.000 1.311 343 G CA -0.341 44.565 45.100 -0.323 0.000 1.030 343 G HN 0.669 nan 8.290 nan 0.000 0.509 344 F N -0.959 119.002 119.950 0.018 0.000 2.502 344 F HA 0.225 4.751 4.527 -0.002 0.000 0.298 344 F C 1.077 176.877 175.800 -0.000 0.000 1.111 344 F CA 0.175 58.175 58.000 0.001 0.000 1.445 344 F CB -0.150 38.767 39.000 -0.137 0.000 1.081 344 F HN 0.451 nan 8.300 nan 0.000 0.558 345 E N 1.159 121.563 120.200 0.341 0.000 2.212 345 E HA 0.377 4.726 4.350 -0.003 0.000 0.270 345 E C -0.858 175.768 176.600 0.042 0.000 0.956 345 E CA -0.962 55.555 56.400 0.194 0.000 0.825 345 E CB 1.611 31.446 29.700 0.226 0.000 1.167 345 E HN -0.020 nan 8.360 nan 0.000 0.400 346 S N 2.307 117.941 115.700 -0.110 0.000 2.505 346 S HA 0.315 4.784 4.470 -0.003 0.000 0.276 346 S C -0.301 174.225 174.600 -0.123 0.000 1.274 346 S CA -0.436 57.585 58.200 -0.297 0.000 1.053 346 S CB 0.022 62.627 63.200 -0.991 0.000 0.919 346 S HN 0.361 nan 8.310 nan 0.000 0.490 347 L N 2.102 123.394 121.223 0.115 0.000 2.354 347 L HA 0.904 5.242 4.340 -0.003 0.000 0.264 347 L C -0.260 176.848 176.870 0.397 0.000 1.008 347 L CA -0.883 54.093 54.840 0.228 0.000 0.819 347 L CB 1.948 44.087 42.059 0.132 0.000 1.339 347 L HN 0.655 nan 8.230 nan 0.000 0.420 348 A N 1.265 124.267 122.820 0.302 0.000 2.449 348 A HA 0.794 5.113 4.320 -0.003 0.000 0.302 348 A C -1.325 176.345 177.584 0.144 0.000 1.048 348 A CA -0.427 51.755 52.037 0.242 0.000 0.708 348 A CB 2.177 21.308 19.000 0.218 0.000 1.274 348 A HN 0.730 nan 8.150 nan 0.000 0.410 349 E N 1.021 121.286 120.200 0.109 0.000 2.356 349 E HA 0.519 4.867 4.350 -0.003 0.000 0.275 349 E C -2.154 174.463 176.600 0.029 0.000 0.904 349 E CA -0.720 55.718 56.400 0.065 0.000 0.757 349 E CB 1.952 31.686 29.700 0.056 0.000 1.232 349 E HN 0.518 nan 8.360 nan 0.000 0.442 350 L N 5.750 126.983 121.223 0.017 0.000 2.335 350 L HA 0.437 4.776 4.340 -0.003 0.000 0.268 350 L C -2.266 174.597 176.870 -0.011 0.000 1.037 350 L CA -1.425 53.407 54.840 -0.013 0.000 0.895 350 L CB 0.632 42.691 42.059 -0.000 0.000 1.266 350 L HN 0.429 nan 8.230 nan 0.000 0.439 371 D N 1.399 121.840 120.400 0.068 0.000 2.219 371 D HA 0.025 4.664 4.640 -0.003 0.000 0.205 371 D C 1.765 178.092 176.300 0.045 0.000 0.970 371 D CA 2.122 56.151 54.000 0.047 0.000 0.851 371 D CB -0.302 40.528 40.800 0.049 0.000 0.943 371 D HN 0.801 nan 8.370 nan 0.000 0.488 372 T N -1.709 112.897 114.554 0.087 0.000 3.105 372 T HA 0.184 4.532 4.350 -0.003 0.000 0.253 372 T C 0.786 175.435 174.700 -0.085 0.000 1.047 372 T CA -0.442 61.696 62.100 0.064 0.000 0.944 372 T CB -0.086 68.871 68.868 0.148 0.000 1.016 372 T HN -0.018 nan 8.240 nan 0.000 0.544 373 L N 1.960 123.090 121.223 -0.154 0.000 2.283 373 L HA 0.609 4.947 4.340 -0.003 0.000 0.287 373 L C -1.107 175.500 176.870 -0.438 0.000 1.073 373 L CA -0.858 53.673 54.840 -0.515 0.000 0.822 373 L CB 0.322 42.105 42.059 -0.461 0.000 1.186 373 L HN 0.164 nan 8.230 nan 0.000 0.436 374 I N 5.150 125.335 120.570 -0.642 0.000 2.441 374 I HA 0.453 4.622 4.170 -0.003 0.000 0.295 374 I C -0.099 175.834 176.117 -0.307 0.000 0.994 374 I CA -0.479 60.535 61.300 -0.477 0.000 1.144 374 I CB 1.721 39.303 38.000 -0.696 0.000 1.314 374 I HN 0.576 nan 8.210 nan 0.000 0.445 375 R N 6.615 127.053 120.500 -0.105 0.000 2.338 375 R HA 0.685 5.024 4.340 -0.003 0.000 0.317 375 R C -1.609 174.759 176.300 0.113 0.000 0.968 375 R CA -0.451 55.650 56.100 0.001 0.000 0.849 375 R CB 0.830 31.126 30.300 -0.007 0.000 1.128 375 R HN 0.615 nan 8.270 nan 0.000 0.448 376 L N 2.601 123.936 121.223 0.187 0.000 2.329 376 L HA 0.427 4.765 4.340 -0.003 0.000 0.279 376 L C -0.177 176.859 176.870 0.276 0.000 1.014 376 L CA -0.808 54.206 54.840 0.290 0.000 0.814 376 L CB 2.076 44.340 42.059 0.342 0.000 1.257 376 L HN 0.586 nan 8.230 nan 0.000 0.424 377 S N 2.509 118.386 115.700 0.295 0.000 2.528 377 S HA 0.418 4.886 4.470 -0.003 0.000 0.303 377 S C -0.442 174.325 174.600 0.278 0.000 1.123 377 S CA -0.586 57.760 58.200 0.242 0.000 1.138 377 S CB 0.520 63.805 63.200 0.142 0.000 0.984 377 S HN 0.305 nan 8.310 nan 0.000 0.474 378 V N 5.672 125.779 119.914 0.321 0.000 2.470 378 V HA 0.438 4.557 4.120 -0.003 0.000 0.276 378 V C 1.444 177.729 176.094 0.318 0.000 1.040 378 V CA 0.222 62.688 62.300 0.277 0.000 1.008 378 V CB 0.580 32.575 31.823 0.287 0.000 0.990 378 V HN 0.892 nan 8.190 nan 0.000 0.477 379 G N 3.602 112.494 108.800 0.152 0.000 2.630 379 G HA2 0.465 4.424 3.960 -0.003 0.000 0.223 379 G HA3 0.465 4.424 3.960 -0.003 0.000 0.223 379 G C 0.376 175.285 174.900 0.014 0.000 1.434 379 G CA -0.708 44.512 45.100 0.200 0.000 1.057 379 G HN 0.613 nan 8.290 nan 0.000 0.570 380 L N -0.051 121.136 121.223 -0.059 0.000 2.728 380 L HA 0.274 4.612 4.340 -0.003 0.000 0.238 380 L C 0.501 177.311 176.870 -0.100 0.000 1.143 380 L CA -0.089 54.665 54.840 -0.143 0.000 0.937 380 L CB -0.023 41.934 42.059 -0.169 0.000 1.225 380 L HN 0.343 nan 8.230 nan 0.000 0.507 381 E N 0.354 120.502 120.200 -0.087 0.000 2.435 381 E HA 0.004 4.352 4.350 -0.003 0.000 0.256 381 E C -0.101 176.454 176.600 -0.075 0.000 1.245 381 E CA 0.005 56.352 56.400 -0.089 0.000 0.989 381 E CB 0.376 30.011 29.700 -0.108 0.000 0.983 381 E HN 0.026 nan 8.360 nan 0.000 0.480 382 D N 1.545 121.906 120.400 -0.066 0.000 2.450 382 D HA -0.089 4.549 4.640 -0.003 0.000 0.247 382 D C 0.891 177.164 176.300 -0.046 0.000 1.162 382 D CA 0.357 54.326 54.000 -0.052 0.000 0.879 382 D CB 0.863 41.635 40.800 -0.046 0.000 1.163 382 D HN 0.527 nan 8.370 nan 0.000 0.472 383 E N 2.442 122.619 120.200 -0.039 0.000 2.070 383 E HA -0.285 4.063 4.350 -0.003 0.000 0.197 383 E C 1.299 177.875 176.600 -0.040 0.000 1.004 383 E CA 1.396 57.777 56.400 -0.031 0.000 0.805 383 E CB 0.227 29.912 29.700 -0.027 0.000 0.744 383 E HN 0.378 nan 8.360 nan 0.000 0.451 384 E N 0.457 120.633 120.200 -0.041 0.000 2.106 384 E HA -0.163 4.186 4.350 -0.003 0.000 0.192 384 E C 1.571 178.142 176.600 -0.049 0.000 0.984 384 E CA 1.531 57.902 56.400 -0.048 0.000 0.806 384 E CB 0.004 29.683 29.700 -0.035 0.000 0.750 384 E HN 0.301 nan 8.360 nan 0.000 0.458 385 D N -0.127 120.251 120.400 -0.036 0.000 2.117 385 D HA -0.151 4.487 4.640 -0.003 0.000 0.197 385 D C 1.922 178.220 176.300 -0.003 0.000 0.987 385 D CA 0.842 54.828 54.000 -0.024 0.000 0.829 385 D CB -0.165 40.617 40.800 -0.029 0.000 0.961 385 D HN 0.259 nan 8.370 nan 0.000 0.460 386 L N 0.126 121.349 121.223 0.000 0.000 2.056 386 L HA -0.095 4.244 4.340 -0.003 0.000 0.207 386 L C 2.535 179.449 176.870 0.072 0.000 1.078 386 L CA 0.615 55.515 54.840 0.100 0.000 0.749 386 L CB -0.339 41.758 42.059 0.064 0.000 0.901 386 L HN 0.038 nan 8.230 nan 0.000 0.433 387 L N -0.667 120.490 121.223 -0.110 0.000 2.046 387 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 387 L C 2.743 179.378 176.870 -0.392 0.000 1.077 387 L CA 0.911 55.506 54.840 -0.409 0.000 0.747 387 L CB -0.590 41.201 42.059 -0.447 0.000 0.896 387 L HN 0.281 nan 8.230 nan 0.000 0.432 388 E N 0.567 120.663 120.200 -0.173 0.000 2.085 388 E HA -0.272 4.076 4.350 -0.003 0.000 0.194 388 E C 1.672 178.252 176.600 -0.033 0.000 0.994 388 E CA 1.613 57.960 56.400 -0.088 0.000 0.801 388 E CB -0.086 29.593 29.700 -0.036 0.000 0.743 388 E HN 0.390 nan 8.360 nan 0.000 0.453 389 D N -0.334 120.074 120.400 0.013 0.000 2.117 389 D HA -0.092 4.547 4.640 -0.003 0.000 0.198 389 D C 2.239 178.565 176.300 0.044 0.000 0.982 389 D CA 0.869 54.910 54.000 0.068 0.000 0.828 389 D CB -0.131 40.786 40.800 0.195 0.000 0.967 389 D HN 0.170 nan 8.370 nan 0.000 0.464 390 L N -0.020 121.216 121.223 0.022 0.000 2.056 390 L HA -0.115 4.223 4.340 -0.003 0.000 0.207 390 L C 2.194 179.221 176.870 0.261 0.000 1.078 390 L CA 1.319 56.231 54.840 0.119 0.000 0.749 390 L CB -0.473 41.606 42.059 0.034 0.000 0.901 390 L HN 0.061 nan 8.230 nan 0.000 0.433 391 D N -0.466 120.017 120.400 0.138 0.000 2.084 391 D HA -0.249 4.389 4.640 -0.003 0.000 0.194 391 D C 2.214 178.650 176.300 0.226 0.000 0.990 391 D CA 1.106 55.292 54.000 0.310 0.000 0.826 391 D CB -0.040 40.878 40.800 0.197 0.000 0.971 391 D HN 0.143 nan 8.370 nan 0.000 0.453 392 Q N 0.397 120.275 119.800 0.131 0.000 2.077 392 Q HA -0.212 4.126 4.340 -0.003 0.000 0.206 392 Q C 2.002 178.062 176.000 0.100 0.000 0.989 392 Q CA 2.173 58.032 55.803 0.093 0.000 0.853 392 Q CB -0.564 28.204 28.738 0.049 0.000 0.907 392 Q HN 0.324 nan 8.270 nan 0.000 0.418 393 A N 0.687 123.568 122.820 0.101 0.000 1.897 393 A HA -0.074 4.244 4.320 -0.003 0.000 0.215 393 A C 2.377 180.145 177.584 0.307 0.000 1.181 393 A CA 1.095 53.176 52.037 0.074 0.000 0.620 393 A CB -0.667 18.182 19.000 -0.252 0.000 0.821 393 A HN 0.416 nan 8.150 nan 0.000 0.443 394 L N -0.674 120.827 121.223 0.463 0.000 2.042 394 L HA -0.221 4.117 4.340 -0.003 0.000 0.210 394 L C 2.523 179.531 176.870 0.231 0.000 1.076 394 L CA 1.766 56.850 54.840 0.407 0.000 0.749 394 L CB -0.378 41.892 42.059 0.352 0.000 0.893 394 L HN 0.333 nan 8.230 nan 0.000 0.432 395 K N -0.225 120.288 120.400 0.188 0.000 2.148 395 K HA -0.109 4.210 4.320 -0.003 0.000 0.204 395 K C 2.183 178.813 176.600 0.050 0.000 1.050 395 K CA 1.170 57.525 56.287 0.113 0.000 0.942 395 K CB -0.202 32.370 32.500 0.121 0.000 0.724 395 K HN 0.298 nan 8.250 nan 0.000 0.446 396 A N 1.163 124.019 122.820 0.059 0.000 1.929 396 A HA -0.031 4.287 4.320 -0.003 0.000 0.216 396 A C 2.294 179.865 177.584 -0.021 0.000 1.176 396 A CA 1.616 53.663 52.037 0.018 0.000 0.628 396 A CB -0.488 18.522 19.000 0.018 0.000 0.816 396 A HN 0.305 nan 8.150 nan 0.000 0.444 397 A N -1.766 121.051 122.820 -0.006 0.000 1.968 397 A HA 0.010 4.328 4.320 -0.003 0.000 0.217 397 A C 1.072 178.407 177.584 -0.416 0.000 1.169 397 A CA 0.814 52.779 52.037 -0.119 0.000 0.638 397 A CB -0.261 18.744 19.000 0.008 0.000 0.812 397 A HN 0.552 nan 8.150 nan 0.000 0.446 398 H N -0.289 118.621 119.070 -0.268 0.000 2.448 398 H HA 0.269 4.824 4.556 -0.003 0.000 0.237 398 H C -2.794 172.293 175.328 -0.401 0.000 1.391 398 H CA -1.803 53.858 56.048 -0.647 0.000 1.477 398 H CB 0.554 29.324 29.762 -1.652 0.000 1.520 398 H HN 0.355 nan 8.280 nan 0.000 0.502 399 P HA 0.123 nan 4.420 nan 0.000 0.272 399 P C -2.067 175.250 177.300 0.028 0.000 1.240 399 P CA -0.975 62.109 63.100 -0.025 0.000 0.791 399 P CB 0.643 32.332 31.700 -0.019 0.000 0.978 400 P HA 0.000 nan 4.420 nan 0.000 0.216 400 P CA 0.000 63.167 63.100 0.111 0.000 0.800 400 P CB 0.000 31.763 31.700 0.104 0.000 0.726