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 1gw1_1_A DATA FIRST_RESID 43 DATA SEQUENCE KPVTVKLVDS QATMETRSLF AFMQEQRRHS IMFGHQHETT QGLTITRTDG DATA SEQUENCE TQSDTFNAVG DFAAVYGWDT LSIVAPKAEG DIVAQVKKAY ARGGIITVSS DATA SEQUENCE HFDNPKTDTQ KGVWPVGTSW DQTPAVVDSL PGGAYNPVLN GYLDQVAEWA DATA SEQUENCE NNLKDEQGRL IPVIFRLYHA NTGSWFWWGD KQSTPEQYKQ LFRYSVEYLR DATA SEQUENCE DVKGVRNFLY AYSPNNFWDV TEANYLERYP GDEWVDVLGF DTYGPVADNA DATA SEQUENCE DWFRNVVANA ALVARMAEAR GKIPVISEIG IRAPDIEAGL YDNQWYRKLI DATA SEQUENCE SGLKADPDAR EIAFLLVWRN APQGVPGXXX XQVPHYWVPA NRPENINNGT DATA SEQUENCE LEDFQAFYAD EFTAFNRDIE QVYQRPTLI 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 43 K HA 0.000 nan 4.320 nan 0.000 0.191 43 K C 0.000 176.625 176.600 0.041 0.000 0.988 43 K CA 0.000 56.307 56.287 0.033 0.000 0.838 43 K CB 0.000 32.518 32.500 0.030 0.000 1.064 44 P HA 0.323 nan 4.420 nan 0.000 0.264 44 P C 0.048 177.379 177.300 0.052 0.000 1.193 44 P CA -0.432 62.697 63.100 0.048 0.000 0.763 44 P CB 0.937 32.662 31.700 0.040 0.000 0.810 45 V N 0.231 120.185 119.914 0.066 0.000 2.667 45 V HA 0.598 4.718 4.120 -0.000 0.000 0.308 45 V C -0.070 176.071 176.094 0.078 0.000 1.048 45 V CA -0.603 61.741 62.300 0.073 0.000 0.928 45 V CB 1.712 33.587 31.823 0.087 0.000 1.004 45 V HN 0.447 nan 8.190 nan 0.000 0.444 46 T N 4.082 118.680 114.554 0.072 0.000 2.780 46 T HA 0.585 4.935 4.350 -0.000 0.000 0.294 46 T C -0.049 174.700 174.700 0.082 0.000 0.949 46 T CA -0.128 62.009 62.100 0.061 0.000 1.074 46 T CB 0.927 69.823 68.868 0.047 0.000 0.910 46 T HN 1.394 nan 8.240 nan 0.000 0.501 47 V N 1.090 121.035 119.914 0.051 0.000 2.656 47 V HA 0.714 4.834 4.120 -0.000 0.000 0.307 47 V C -0.635 175.401 176.094 -0.097 0.000 1.051 47 V CA -1.221 61.084 62.300 0.007 0.000 0.893 47 V CB 1.924 33.752 31.823 0.008 0.000 0.999 47 V HN 0.797 nan 8.190 nan 0.000 0.426 48 K N 4.798 125.102 120.400 -0.160 0.000 2.389 48 K HA 0.675 4.995 4.320 -0.000 0.000 0.261 48 K C -1.264 175.166 176.600 -0.283 0.000 1.014 48 K CA -0.612 55.582 56.287 -0.156 0.000 0.920 48 K CB 1.091 33.551 32.500 -0.067 0.000 1.149 48 K HN 0.881 nan 8.250 nan 0.000 0.444 49 L N 3.743 124.812 121.223 -0.255 0.000 2.352 49 L HA 0.320 4.660 4.340 -0.000 0.000 0.269 49 L C 1.604 178.427 176.870 -0.078 0.000 1.034 49 L CA -0.912 53.795 54.840 -0.221 0.000 0.806 49 L CB 1.695 43.651 42.059 -0.173 0.000 1.244 49 L HN 0.406 nan 8.230 nan 0.000 0.447 50 V N -0.419 119.508 119.914 0.022 0.000 2.332 50 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 50 V C 0.655 176.752 176.094 0.005 0.000 1.055 50 V CA 1.666 63.978 62.300 0.019 0.000 1.038 50 V CB -0.481 31.453 31.823 0.185 0.000 0.651 50 V HN 0.797 nan 8.190 nan 0.000 0.450 51 D N -0.453 120.007 120.400 0.101 0.000 2.428 51 D HA 0.144 4.783 4.640 -0.000 0.000 0.221 51 D C 1.315 177.624 176.300 0.015 0.000 1.123 51 D CA 0.521 54.567 54.000 0.077 0.000 0.869 51 D CB 1.199 42.099 40.800 0.167 0.000 1.032 51 D HN 0.287 nan 8.370 nan 0.000 0.506 52 S N 2.768 118.455 115.700 -0.023 0.000 2.507 52 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 52 S C 1.069 175.659 174.600 -0.017 0.000 0.988 52 S CA 0.685 58.865 58.200 -0.032 0.000 0.944 52 S CB -0.160 63.013 63.200 -0.046 0.000 0.762 52 S HN 0.609 nan 8.310 nan 0.000 0.526 53 Q N 0.898 120.694 119.800 -0.007 0.000 2.188 53 Q HA 0.508 4.848 4.340 -0.000 0.000 0.212 53 Q C 0.342 176.345 176.000 0.005 0.000 0.846 53 Q CA -0.176 55.624 55.803 -0.005 0.000 0.989 53 Q CB 0.624 29.355 28.738 -0.012 0.000 1.114 53 Q HN 0.652 nan 8.270 nan 0.000 0.488 54 A N 1.601 124.433 122.820 0.019 0.000 2.507 54 A HA 0.174 4.494 4.320 -0.000 0.000 0.235 54 A C 0.833 178.435 177.584 0.030 0.000 1.070 54 A CA -0.005 52.053 52.037 0.035 0.000 0.768 54 A CB 0.109 19.145 19.000 0.059 0.000 1.011 54 A HN 0.366 nan 8.150 nan 0.000 0.502 55 T N 0.449 115.020 114.554 0.028 0.000 2.795 55 T HA 0.185 4.535 4.350 -0.000 0.000 0.314 55 T C 1.316 176.051 174.700 0.058 0.000 1.069 55 T CA -0.069 62.048 62.100 0.027 0.000 1.071 55 T CB 0.200 69.074 68.868 0.009 0.000 0.988 55 T HN 0.456 nan 8.240 nan 0.000 0.543 56 M N 0.571 120.205 119.600 0.058 0.000 2.213 56 M HA -0.041 4.438 4.480 -0.000 0.000 0.263 56 M C 2.089 178.466 176.300 0.128 0.000 1.062 56 M CA 1.606 56.954 55.300 0.081 0.000 1.105 56 M CB -1.524 31.116 32.600 0.067 0.000 1.385 56 M HN 0.762 nan 8.290 nan 0.000 0.417 57 E N -0.524 119.761 120.200 0.142 0.000 2.152 57 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 57 E C 2.000 178.780 176.600 0.300 0.000 0.983 57 E CA 1.411 57.955 56.400 0.241 0.000 0.818 57 E CB -0.260 29.558 29.700 0.198 0.000 0.758 57 E HN 0.421 nan 8.360 nan 0.000 0.467 58 T N 0.355 115.032 114.554 0.206 0.000 2.777 58 T HA -0.076 4.273 4.350 -0.000 0.000 0.266 58 T C 1.753 176.594 174.700 0.235 0.000 1.040 58 T CA 1.031 63.264 62.100 0.221 0.000 1.141 58 T CB -0.115 68.844 68.868 0.152 0.000 0.868 58 T HN 0.066 nan 8.240 nan 0.000 0.444 59 R N 0.959 121.567 120.500 0.179 0.000 2.081 59 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 59 R C 2.909 179.353 176.300 0.240 0.000 1.131 59 R CA 1.433 57.638 56.100 0.174 0.000 0.960 59 R CB -0.468 29.898 30.300 0.109 0.000 0.856 59 R HN 0.254 nan 8.270 nan 0.000 0.436 60 S N 0.758 116.591 115.700 0.222 0.000 2.382 60 S HA -0.110 4.359 4.470 -0.000 0.000 0.228 60 S C 1.872 176.604 174.600 0.220 0.000 1.027 60 S CA 0.982 59.308 58.200 0.210 0.000 0.991 60 S CB -0.161 63.153 63.200 0.191 0.000 0.823 60 S HN 0.248 nan 8.310 nan 0.000 0.469 61 L N 0.805 122.170 121.223 0.237 0.000 2.042 61 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 61 L C 1.938 178.981 176.870 0.289 0.000 1.076 61 L CA 2.093 57.047 54.840 0.190 0.000 0.749 61 L CB -1.140 41.087 42.059 0.279 0.000 0.893 61 L HN 0.459 nan 8.230 nan 0.000 0.432 62 F N 0.358 120.416 119.950 0.179 0.000 2.102 62 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 62 F C 2.316 178.198 175.800 0.137 0.000 1.105 62 F CA 1.815 59.912 58.000 0.162 0.000 1.239 62 F CB -0.572 38.515 39.000 0.146 0.000 0.991 62 F HN 0.172 nan 8.300 nan 0.000 0.474 63 A N -0.157 122.872 122.820 0.348 0.000 1.933 63 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 63 A C 2.112 179.753 177.584 0.094 0.000 1.175 63 A CA 1.505 53.668 52.037 0.210 0.000 0.628 63 A CB -1.573 17.556 19.000 0.216 0.000 0.814 63 A HN 0.555 nan 8.150 nan 0.000 0.444 64 F N 0.436 120.392 119.950 0.011 0.000 2.069 64 F HA -0.200 4.326 4.527 -0.000 0.000 0.298 64 F C 2.286 178.059 175.800 -0.044 0.000 1.113 64 F CA 2.253 60.234 58.000 -0.032 0.000 1.214 64 F CB -0.297 38.652 39.000 -0.084 0.000 0.978 64 F HN 0.155 nan 8.300 nan 0.000 0.474 65 M N -0.263 119.290 119.600 -0.078 0.000 2.229 65 M HA -0.194 4.286 4.480 -0.000 0.000 0.264 65 M C 2.184 178.323 176.300 -0.268 0.000 1.063 65 M CA 1.222 56.411 55.300 -0.185 0.000 1.114 65 M CB -0.562 32.031 32.600 -0.012 0.000 1.387 65 M HN 0.248 nan 8.290 nan 0.000 0.420 66 Q N 0.172 119.806 119.800 -0.276 0.000 2.096 66 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 66 Q C 1.917 177.821 176.000 -0.160 0.000 0.982 66 Q CA 1.710 57.375 55.803 -0.229 0.000 0.850 66 Q CB -0.224 28.410 28.738 -0.174 0.000 0.901 66 Q HN 0.473 nan 8.270 nan 0.000 0.422 67 E N 0.954 121.048 120.200 -0.177 0.000 2.033 67 E HA -0.162 4.187 4.350 -0.000 0.000 0.189 67 E C 1.916 178.434 176.600 -0.137 0.000 0.979 67 E CA 1.156 57.481 56.400 -0.125 0.000 0.802 67 E CB -0.269 29.358 29.700 -0.123 0.000 0.763 67 E HN 0.166 nan 8.360 nan 0.000 0.449 68 Q N 1.322 120.881 119.800 -0.403 0.000 2.181 68 Q HA -0.239 4.101 4.340 -0.000 0.000 0.205 68 Q C 2.048 177.931 176.000 -0.195 0.000 0.980 68 Q CA 2.130 57.692 55.803 -0.402 0.000 0.862 68 Q CB -0.358 27.837 28.738 -0.905 0.000 0.905 68 Q HN 0.474 nan 8.270 nan 0.000 0.429 69 R N -0.444 119.944 120.500 -0.187 0.000 2.237 69 R HA -0.013 4.327 4.340 -0.000 0.000 0.219 69 R C 1.478 177.710 176.300 -0.113 0.000 1.080 69 R CA 0.774 56.791 56.100 -0.139 0.000 0.995 69 R CB -0.243 29.985 30.300 -0.120 0.000 0.875 69 R HN 0.103 nan 8.270 nan 0.000 0.462 70 R N -0.013 120.406 120.500 -0.135 0.000 2.334 70 R HA 0.124 4.464 4.340 -0.000 0.000 0.220 70 R C 0.470 176.558 176.300 -0.353 0.000 0.917 70 R CA 0.117 56.099 56.100 -0.197 0.000 1.073 70 R CB 0.272 30.424 30.300 -0.245 0.000 1.056 70 R HN 0.445 nan 8.270 nan 0.000 0.506 71 H N -1.432 117.602 119.070 -0.060 0.000 3.241 71 H HA 0.203 4.758 4.556 -0.000 0.000 0.260 71 H C 0.428 175.546 175.328 -0.350 0.000 1.084 71 H CA 0.383 56.400 56.048 -0.052 0.000 1.203 71 H CB 1.138 30.852 29.762 -0.079 0.000 1.524 71 H HN 0.120 nan 8.280 nan 0.000 0.521 72 S N 0.055 115.351 115.700 -0.673 0.000 2.636 72 S HA 0.488 4.958 4.470 -0.000 0.000 0.266 72 S C -1.288 172.786 174.600 -0.878 0.000 1.147 72 S CA -0.920 56.588 58.200 -1.153 0.000 0.815 72 S CB 1.640 64.568 63.200 -0.452 0.000 1.119 72 S HN 0.059 nan 8.310 nan 0.000 0.470 73 I N 1.318 121.511 120.570 -0.629 0.000 2.418 73 I HA 0.360 4.529 4.170 -0.000 0.000 0.287 73 I C -0.292 175.808 176.117 -0.028 0.000 1.008 73 I CA -0.704 60.497 61.300 -0.165 0.000 1.104 73 I CB 1.801 39.815 38.000 0.022 0.000 1.264 73 I HN 0.572 nan 8.210 nan 0.000 0.438 74 M N 5.331 124.978 119.600 0.078 0.000 2.233 74 M HA 0.251 4.731 4.480 -0.000 0.000 0.350 74 M C -0.545 175.850 176.300 0.159 0.000 1.176 74 M CA -0.113 55.250 55.300 0.105 0.000 1.150 74 M CB 0.838 33.523 32.600 0.142 0.000 1.530 74 M HN 0.374 nan 8.290 nan 0.000 0.459 75 F N 1.391 121.240 119.950 -0.169 0.000 2.404 75 F HA 0.641 5.168 4.527 -0.000 0.000 0.345 75 F C 0.223 175.931 175.800 -0.154 0.000 1.110 75 F CA -0.505 57.405 58.000 -0.150 0.000 1.130 75 F CB 0.833 39.482 39.000 -0.585 0.000 1.129 75 F HN 0.485 nan 8.300 nan 0.000 0.500 76 G N 4.234 112.525 108.800 -0.848 0.000 2.453 76 G HA2 0.420 4.380 3.960 -0.000 0.000 0.323 76 G HA3 0.420 4.380 3.960 -0.000 0.000 0.323 76 G C -2.110 172.261 174.900 -0.882 0.000 1.198 76 G CA -0.574 44.072 45.100 -0.757 0.000 0.959 76 G HN 0.869 nan 8.290 nan 0.000 0.482 77 H N 0.773 119.440 119.070 -0.672 0.000 3.017 77 H HA 0.304 4.860 4.556 -0.000 0.000 0.340 77 H C -0.887 174.184 175.328 -0.428 0.000 1.014 77 H CA -0.688 55.095 56.048 -0.441 0.000 1.341 77 H CB 2.216 31.830 29.762 -0.246 0.000 1.739 77 H HN 0.482 nan 8.280 nan 0.000 0.506 78 Q N 3.314 122.791 119.800 -0.539 0.000 2.337 78 Q HA 0.024 4.364 4.340 -0.000 0.000 0.270 78 Q C 0.013 175.481 176.000 -0.888 0.000 1.002 78 Q CA 0.571 55.885 55.803 -0.816 0.000 0.888 78 Q CB 0.051 28.117 28.738 -1.119 0.000 1.222 78 Q HN 0.765 nan 8.270 nan 0.000 0.400 79 H N 1.715 120.225 119.070 -0.933 0.000 2.791 79 H HA -0.222 4.333 4.556 -0.000 0.000 0.302 79 H C 0.863 175.910 175.328 -0.468 0.000 1.198 79 H CA 0.903 56.591 56.048 -0.599 0.000 1.145 79 H CB -0.786 28.794 29.762 -0.303 0.000 1.385 79 H HN 0.841 nan 8.280 nan 0.000 0.409 80 E N 1.100 120.987 120.200 -0.523 0.000 2.086 80 E HA -0.145 4.205 4.350 -0.000 0.000 0.200 80 E C 1.934 178.635 176.600 0.169 0.000 1.012 80 E CA 2.752 59.051 56.400 -0.169 0.000 0.812 80 E CB 0.002 29.567 29.700 -0.224 0.000 0.743 80 E HN 0.609 nan 8.360 nan 0.000 0.453 81 T N -3.616 111.107 114.554 0.282 0.000 3.129 81 T HA 0.176 4.526 4.350 -0.000 0.000 0.267 81 T C 1.115 176.024 174.700 0.350 0.000 1.018 81 T CA 0.327 62.651 62.100 0.374 0.000 0.903 81 T CB 0.179 69.293 68.868 0.410 0.000 1.067 81 T HN 0.214 nan 8.240 nan 0.000 0.549 82 T N -1.544 113.239 114.554 0.381 0.000 2.971 82 T HA 0.337 4.687 4.350 -0.000 0.000 0.252 82 T C 0.378 175.215 174.700 0.227 0.000 1.022 82 T CA -0.291 62.031 62.100 0.369 0.000 0.980 82 T CB 0.157 69.394 68.868 0.615 0.000 1.044 82 T HN 0.383 nan 8.240 nan 0.000 0.501 83 Q N 0.179 120.079 119.800 0.167 0.000 2.271 83 Q HA 0.652 4.992 4.340 -0.000 0.000 0.268 83 Q C -1.057 175.004 176.000 0.101 0.000 1.021 83 Q CA -0.994 54.849 55.803 0.066 0.000 0.802 83 Q CB 2.524 31.226 28.738 -0.059 0.000 1.282 83 Q HN 0.490 nan 8.270 nan 0.000 0.431 84 G N 0.703 109.555 108.800 0.086 0.000 2.667 84 G HA2 0.386 4.346 3.960 -0.000 0.000 0.294 84 G HA3 0.386 4.346 3.960 -0.000 0.000 0.294 84 G C -0.521 174.399 174.900 0.033 0.000 1.467 84 G CA -0.710 44.447 45.100 0.094 0.000 0.852 84 G HN 0.456 nan 8.290 nan 0.000 0.521 85 L N 0.497 121.712 121.223 -0.012 0.000 2.313 85 L HA 0.142 4.482 4.340 -0.000 0.000 0.214 85 L C 2.662 179.502 176.870 -0.049 0.000 1.119 85 L CA 2.195 56.990 54.840 -0.074 0.000 0.809 85 L CB 0.044 41.986 42.059 -0.195 0.000 0.933 85 L HN 0.767 nan 8.230 nan 0.000 0.449 86 T N -3.536 111.008 114.554 -0.016 0.000 3.084 86 T HA 0.327 4.677 4.350 -0.000 0.000 0.270 86 T C 0.506 175.222 174.700 0.026 0.000 1.008 86 T CA -0.397 61.700 62.100 -0.003 0.000 0.900 86 T CB -0.448 68.416 68.868 -0.007 0.000 1.084 86 T HN 0.131 nan 8.240 nan 0.000 0.538 87 I N 0.158 120.755 120.570 0.044 0.000 2.499 87 I HA 0.628 4.798 4.170 -0.000 0.000 0.296 87 I C 1.106 177.250 176.117 0.046 0.000 0.992 87 I CA -0.845 60.492 61.300 0.062 0.000 1.297 87 I CB 1.788 39.846 38.000 0.098 0.000 1.410 87 I HN 0.055 nan 8.210 nan 0.000 0.507 88 T N 1.290 115.870 114.554 0.044 0.000 3.023 88 T HA 0.397 4.747 4.350 -0.000 0.000 0.253 88 T C 0.628 175.351 174.700 0.038 0.000 1.038 88 T CA -0.236 61.885 62.100 0.033 0.000 0.962 88 T CB 0.030 68.913 68.868 0.026 0.000 1.018 88 T HN 0.735 nan 8.240 nan 0.000 0.521 89 R N 0.889 121.420 120.500 0.052 0.000 2.651 89 R HA 0.499 4.839 4.340 -0.000 0.000 0.278 89 R C 0.045 176.392 176.300 0.079 0.000 1.010 89 R CA -0.204 55.929 56.100 0.055 0.000 0.896 89 R CB 1.750 32.078 30.300 0.048 0.000 1.211 89 R HN 0.215 nan 8.270 nan 0.000 0.456 90 T N -2.939 111.662 114.554 0.078 0.000 3.214 90 T HA 0.004 4.354 4.350 -0.000 0.000 0.264 90 T C 0.545 175.307 174.700 0.104 0.000 1.012 90 T CA -0.303 61.861 62.100 0.107 0.000 0.901 90 T CB -0.118 68.809 68.868 0.098 0.000 1.070 90 T HN 0.616 nan 8.240 nan 0.000 0.561 91 D N 1.086 121.534 120.400 0.080 0.000 2.349 91 D HA 0.186 4.826 4.640 -0.000 0.000 0.224 91 D C 1.614 177.949 176.300 0.058 0.000 1.029 91 D CA 0.495 54.528 54.000 0.054 0.000 0.879 91 D CB -0.642 40.178 40.800 0.034 0.000 0.906 91 D HN 0.586 nan 8.370 nan 0.000 0.528 92 G N -0.108 108.756 108.800 0.108 0.000 2.163 92 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.213 92 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.213 92 G C 0.948 175.896 174.900 0.080 0.000 0.991 92 G CA 0.571 45.740 45.100 0.114 0.000 0.653 92 G HN 0.580 nan 8.290 nan 0.000 0.518 93 T N -2.626 111.992 114.554 0.106 0.000 3.023 93 T HA 0.523 4.873 4.350 -0.000 0.000 0.253 93 T C 0.646 175.493 174.700 0.245 0.000 1.038 93 T CA 0.785 62.954 62.100 0.115 0.000 0.962 93 T CB 0.576 69.482 68.868 0.064 0.000 1.018 93 T HN 0.509 nan 8.240 nan 0.000 0.521 94 Q N 1.044 121.011 119.800 0.279 0.000 2.451 94 Q HA 0.686 5.026 4.340 -0.000 0.000 0.281 94 Q C -1.223 175.006 176.000 0.382 0.000 1.099 94 Q CA -0.962 54.996 55.803 0.260 0.000 0.806 94 Q CB 2.513 31.331 28.738 0.133 0.000 1.419 94 Q HN 0.411 nan 8.270 nan 0.000 0.427 95 S N -0.727 115.162 115.700 0.314 0.000 2.570 95 S HA 0.278 4.747 4.470 -0.000 0.000 0.270 95 S C -0.493 174.249 174.600 0.236 0.000 1.149 95 S CA -0.686 57.713 58.200 0.331 0.000 0.837 95 S CB 1.416 64.915 63.200 0.498 0.000 1.124 95 S HN 0.531 nan 8.310 nan 0.000 0.465 96 D N 1.881 122.412 120.400 0.219 0.000 2.144 96 D HA -0.013 4.626 4.640 -0.000 0.000 0.199 96 D C 1.762 178.125 176.300 0.104 0.000 0.984 96 D CA 1.922 56.000 54.000 0.130 0.000 0.834 96 D CB -0.545 40.318 40.800 0.105 0.000 0.955 96 D HN 0.713 nan 8.370 nan 0.000 0.465 97 T N 0.255 114.919 114.554 0.184 0.000 2.684 97 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 97 T C 1.747 176.522 174.700 0.125 0.000 1.036 97 T CA 0.755 62.994 62.100 0.232 0.000 1.148 97 T CB -0.518 68.622 68.868 0.453 0.000 0.863 97 T HN 0.131 nan 8.240 nan 0.000 0.436 98 F N 2.668 122.577 119.950 -0.069 0.000 2.171 98 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 98 F C 2.013 177.704 175.800 -0.181 0.000 1.090 98 F CA 1.019 58.857 58.000 -0.270 0.000 1.293 98 F CB -0.304 38.340 39.000 -0.594 0.000 1.013 98 F HN 0.053 nan 8.300 nan 0.000 0.486 99 N N 0.352 119.115 118.700 0.106 0.000 2.396 99 N HA -0.057 4.682 4.740 -0.000 0.000 0.180 99 N C 1.822 177.294 175.510 -0.063 0.000 1.028 99 N CA 1.131 54.207 53.050 0.044 0.000 0.893 99 N CB -0.517 38.012 38.487 0.071 0.000 0.967 99 N HN 0.408 nan 8.380 nan 0.000 0.440 100 A N 0.045 122.823 122.820 -0.070 0.000 1.935 100 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 100 A C 1.908 179.384 177.584 -0.180 0.000 1.178 100 A CA 1.503 53.499 52.037 -0.068 0.000 0.640 100 A CB 0.038 19.054 19.000 0.027 0.000 0.825 100 A HN 0.188 nan 8.150 nan 0.000 0.447 101 V N -6.010 113.689 119.914 -0.359 0.000 3.411 101 V HA 0.576 4.696 4.120 -0.000 0.000 0.287 101 V C 1.130 176.671 176.094 -0.923 0.000 1.543 101 V CA 0.771 62.642 62.300 -0.716 0.000 1.028 101 V CB -0.340 30.817 31.823 -1.111 0.000 0.840 101 V HN 1.557 nan 8.190 nan 0.000 0.435 102 G N 0.268 108.528 108.800 -0.901 0.000 2.141 102 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.242 102 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.242 102 G C -0.248 173.939 174.900 -1.189 0.000 0.982 102 G CA 0.486 44.877 45.100 -1.180 0.000 0.662 102 G HN 0.818 nan 8.290 nan 0.000 0.527 103 D N -1.247 118.659 120.400 -0.824 0.000 2.602 103 D HA 0.645 5.284 4.640 -0.000 0.000 0.236 103 D C -0.123 176.252 176.300 0.125 0.000 1.209 103 D CA -0.730 53.163 54.000 -0.178 0.000 0.831 103 D CB 0.945 41.820 40.800 0.125 0.000 1.478 103 D HN -0.099 nan 8.370 nan 0.000 0.438 104 F N 1.018 121.285 119.950 0.529 0.000 2.406 104 F HA 0.540 5.067 4.527 -0.000 0.000 0.327 104 F C 1.382 177.447 175.800 0.441 0.000 1.153 104 F CA -0.456 57.821 58.000 0.462 0.000 1.218 104 F CB 0.507 39.760 39.000 0.421 0.000 1.215 104 F HN 0.304 nan 8.300 nan 0.000 0.570 105 A N 1.179 124.272 122.820 0.456 0.000 2.547 105 A HA 0.374 4.694 4.320 -0.000 0.000 0.233 105 A C 1.134 178.694 177.584 -0.039 0.000 1.067 105 A CA 0.236 52.359 52.037 0.144 0.000 0.763 105 A CB -0.333 18.577 19.000 -0.150 0.000 1.007 105 A HN 1.016 nan 8.150 nan 0.000 0.506 106 A N 1.722 124.516 122.820 -0.043 0.000 1.930 106 A HA 0.333 4.652 4.320 -0.000 0.000 0.215 106 A C 0.794 178.380 177.584 0.003 0.000 1.176 106 A CA 1.392 53.459 52.037 0.050 0.000 0.632 106 A CB -0.220 18.815 19.000 0.058 0.000 0.819 106 A HN 0.873 nan 8.150 nan 0.000 0.445 107 V N -0.026 119.752 119.914 -0.226 0.000 2.417 107 V HA 0.409 4.528 4.120 -0.000 0.000 0.291 107 V C -1.433 174.436 176.094 -0.376 0.000 1.024 107 V CA -0.583 61.553 62.300 -0.272 0.000 0.861 107 V CB 1.034 32.475 31.823 -0.637 0.000 0.985 107 V HN 0.364 nan 8.190 nan 0.000 0.436 108 Y N 2.484 122.611 120.300 -0.287 0.000 2.334 108 Y HA 0.686 5.236 4.550 -0.000 0.000 0.336 108 Y C 0.777 176.345 175.900 -0.555 0.000 0.960 108 Y CA -0.567 57.256 58.100 -0.462 0.000 1.164 108 Y CB 1.956 40.194 38.460 -0.371 0.000 1.155 108 Y HN 0.703 nan 8.280 nan 0.000 0.478 109 G N 3.308 111.743 108.800 -0.608 0.000 2.356 109 G HA2 0.488 4.448 3.960 -0.000 0.000 0.322 109 G HA3 0.488 4.448 3.960 -0.000 0.000 0.322 109 G C -1.121 173.319 174.900 -0.766 0.000 1.125 109 G CA -0.315 44.496 45.100 -0.483 0.000 0.885 109 G HN 0.542 nan 8.290 nan 0.000 0.467 110 W N -0.495 120.674 121.300 -0.218 0.000 3.274 110 W HA 0.532 5.192 4.660 -0.000 0.000 0.353 110 W C -0.869 175.530 176.519 -0.200 0.000 1.147 110 W CA -0.509 56.638 57.345 -0.330 0.000 1.054 110 W CB 2.012 31.317 29.460 -0.259 0.000 1.510 110 W HN 0.414 nan 8.180 nan 0.000 0.602 111 D N -0.896 119.558 120.400 0.091 0.000 2.570 111 D HA 0.134 4.774 4.640 -0.000 0.000 0.244 111 D C 0.894 177.156 176.300 -0.064 0.000 1.178 111 D CA -0.086 53.942 54.000 0.048 0.000 0.881 111 D CB 2.546 43.460 40.800 0.191 0.000 1.453 111 D HN 0.286 nan 8.370 nan 0.000 0.447 112 T N -0.434 114.045 114.554 -0.126 0.000 3.025 112 T HA -0.054 4.295 4.350 -0.000 0.000 0.270 112 T C 2.047 176.712 174.700 -0.058 0.000 1.126 112 T CA 0.568 62.572 62.100 -0.161 0.000 1.105 112 T CB -0.248 68.489 68.868 -0.218 0.000 0.884 112 T HN 0.364 nan 8.240 nan 0.000 0.522 113 L N 0.827 122.069 121.223 0.032 0.000 2.450 113 L HA 0.027 4.367 4.340 -0.000 0.000 0.224 113 L C 2.256 179.163 176.870 0.062 0.000 1.149 113 L CA 0.703 55.600 54.840 0.096 0.000 0.816 113 L CB -0.357 41.814 42.059 0.186 0.000 0.932 113 L HN 0.275 nan 8.230 nan 0.000 0.449 114 S N -1.228 114.466 115.700 -0.011 0.000 2.554 114 S HA 0.328 4.798 4.470 -0.000 0.000 0.226 114 S C 1.420 175.927 174.600 -0.154 0.000 0.980 114 S CA -0.125 58.045 58.200 -0.049 0.000 0.939 114 S CB 0.495 63.653 63.200 -0.070 0.000 0.832 114 S HN 0.284 nan 8.310 nan 0.000 0.486 115 I N -0.635 119.813 120.570 -0.204 0.000 3.878 115 I HA 0.195 4.365 4.170 -0.000 0.000 0.273 115 I C -0.203 175.864 176.117 -0.082 0.000 1.165 115 I CA 0.296 61.414 61.300 -0.303 0.000 1.360 115 I CB 0.447 38.054 38.000 -0.656 0.000 1.539 115 I HN -0.053 nan 8.210 nan 0.000 0.447 116 V N 2.855 122.758 119.914 -0.020 0.000 2.465 116 V HA 0.481 4.601 4.120 -0.000 0.000 0.279 116 V C 0.542 176.670 176.094 0.056 0.000 1.045 116 V CA -1.006 61.329 62.300 0.058 0.000 0.938 116 V CB 1.136 33.015 31.823 0.093 0.000 0.986 116 V HN 0.297 nan 8.190 nan 0.000 0.467 117 A N 7.528 130.397 122.820 0.082 0.000 2.565 117 A HA 0.301 4.621 4.320 -0.000 0.000 0.237 117 A C -0.854 176.780 177.584 0.082 0.000 1.053 117 A CA -0.441 51.645 52.037 0.083 0.000 0.755 117 A CB -0.138 18.919 19.000 0.094 0.000 0.980 117 A HN 0.797 nan 8.150 nan 0.000 0.506 118 P HA 0.129 nan 4.420 nan 0.000 0.257 118 P C -0.487 176.857 177.300 0.073 0.000 1.325 118 P CA -0.183 62.965 63.100 0.080 0.000 0.850 118 P CB -0.135 31.617 31.700 0.086 0.000 1.324 119 K N -0.149 120.293 120.400 0.070 0.000 3.257 119 K HA -0.187 4.133 4.320 -0.000 0.000 0.270 119 K C 1.098 177.744 176.600 0.076 0.000 0.984 119 K CA 0.130 56.454 56.287 0.061 0.000 0.739 119 K CB -1.782 30.746 32.500 0.046 0.000 1.351 119 K HN 0.227 nan 8.250 nan 0.000 0.463 120 A N 0.864 123.742 122.820 0.097 0.000 1.986 120 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 120 A C 1.719 179.362 177.584 0.098 0.000 1.171 120 A CA 1.706 53.804 52.037 0.103 0.000 0.640 120 A CB -0.099 18.982 19.000 0.134 0.000 0.811 120 A HN 0.615 nan 8.150 nan 0.000 0.451 121 E N -1.239 119.033 120.200 0.121 0.000 2.479 121 E HA 0.363 4.713 4.350 -0.000 0.000 0.193 121 E C 0.719 177.403 176.600 0.140 0.000 1.049 121 E CA 0.130 56.620 56.400 0.150 0.000 0.870 121 E CB -0.028 29.828 29.700 0.261 0.000 0.944 121 E HN 0.728 nan 8.360 nan 0.000 0.492 122 G N 1.969 110.822 108.800 0.089 0.000 2.733 122 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 122 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 122 G C -0.772 174.149 174.900 0.036 0.000 1.373 122 G CA -0.774 44.364 45.100 0.063 0.000 0.838 122 G HN 0.092 nan 8.290 nan 0.000 0.588 123 D N -0.221 120.191 120.400 0.021 0.000 2.400 123 D HA 0.302 4.942 4.640 -0.000 0.000 0.238 123 D C 1.724 177.989 176.300 -0.059 0.000 1.157 123 D CA 1.115 55.119 54.000 0.006 0.000 0.889 123 D CB 0.892 41.705 40.800 0.020 0.000 1.199 123 D HN 0.888 nan 8.370 nan 0.000 0.436 124 I N -2.081 118.425 120.570 -0.106 0.000 4.442 124 I HA 0.046 4.215 4.170 -0.000 0.000 0.331 124 I C 1.282 177.231 176.117 -0.281 0.000 1.364 124 I CA -0.333 60.760 61.300 -0.345 0.000 1.207 124 I CB 0.336 37.864 38.000 -0.787 0.000 1.298 124 I HN 0.038 nan 8.210 nan 0.000 0.463 125 V N 2.344 122.211 119.914 -0.078 0.000 2.252 125 V HA -0.322 3.797 4.120 -0.000 0.000 0.249 125 V C 3.128 179.105 176.094 -0.195 0.000 1.056 125 V CA 2.738 64.954 62.300 -0.139 0.000 1.022 125 V CB -0.952 30.796 31.823 -0.126 0.000 0.641 125 V HN 0.650 nan 8.190 nan 0.000 0.445 126 A N -0.769 121.960 122.820 -0.151 0.000 1.902 126 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 126 A C 2.126 179.623 177.584 -0.146 0.000 1.181 126 A CA 2.124 54.085 52.037 -0.127 0.000 0.623 126 A CB -0.489 18.462 19.000 -0.082 0.000 0.818 126 A HN 0.603 nan 8.150 nan 0.000 0.443 127 Q N -0.626 119.057 119.800 -0.195 0.000 2.123 127 Q HA -0.014 4.326 4.340 -0.000 0.000 0.199 127 Q C 2.037 177.893 176.000 -0.240 0.000 0.966 127 Q CA 1.352 57.051 55.803 -0.172 0.000 0.845 127 Q CB -0.433 28.217 28.738 -0.147 0.000 0.907 127 Q HN 0.430 nan 8.270 nan 0.000 0.439 128 V N 1.037 120.694 119.914 -0.428 0.000 2.295 128 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 128 V C 1.934 177.933 176.094 -0.159 0.000 1.049 128 V CA 1.908 64.047 62.300 -0.269 0.000 1.024 128 V CB -0.410 31.260 31.823 -0.256 0.000 0.648 128 V HN 0.327 nan 8.190 nan 0.000 0.447 129 K N -0.157 120.138 120.400 -0.174 0.000 2.097 129 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 129 K C 2.245 178.798 176.600 -0.078 0.000 1.049 129 K CA 1.355 57.572 56.287 -0.117 0.000 0.933 129 K CB -0.194 32.227 32.500 -0.131 0.000 0.717 129 K HN 0.425 nan 8.250 nan 0.000 0.442 130 K N 0.352 120.687 120.400 -0.108 0.000 2.057 130 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 130 K C 2.235 178.720 176.600 -0.191 0.000 1.050 130 K CA 1.093 57.309 56.287 -0.120 0.000 0.935 130 K CB -0.095 32.342 32.500 -0.104 0.000 0.715 130 K HN 0.108 nan 8.250 nan 0.000 0.439 131 A N 0.833 123.490 122.820 -0.272 0.000 1.877 131 A HA -0.214 4.105 4.320 -0.000 0.000 0.216 131 A C 2.065 179.479 177.584 -0.282 0.000 1.186 131 A CA 1.339 53.040 52.037 -0.559 0.000 0.620 131 A CB -0.778 17.637 19.000 -0.974 0.000 0.822 131 A HN 0.389 nan 8.150 nan 0.000 0.443 132 Y N 0.630 120.773 120.300 -0.262 0.000 2.224 132 Y HA -0.052 4.497 4.550 -0.000 0.000 0.289 132 Y C 2.598 178.407 175.900 -0.152 0.000 1.146 132 Y CA 0.936 58.917 58.100 -0.198 0.000 1.182 132 Y CB -0.500 37.815 38.460 -0.241 0.000 0.983 132 Y HN 0.301 nan 8.280 nan 0.000 0.524 133 A N -0.033 122.713 122.820 -0.123 0.000 2.015 133 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 133 A C 2.265 179.762 177.584 -0.146 0.000 1.163 133 A CA 1.442 53.386 52.037 -0.156 0.000 0.646 133 A CB -0.602 18.348 19.000 -0.083 0.000 0.806 133 A HN 0.475 nan 8.150 nan 0.000 0.448 134 R N -1.283 119.139 120.500 -0.129 0.000 2.310 134 R HA 0.171 4.511 4.340 -0.000 0.000 0.202 134 R C 1.134 177.420 176.300 -0.023 0.000 0.933 134 R CA 0.707 56.771 56.100 -0.059 0.000 1.054 134 R CB -0.142 30.109 30.300 -0.082 0.000 0.985 134 R HN 0.662 nan 8.270 nan 0.000 0.489 135 G N -0.439 108.310 108.800 -0.086 0.000 2.141 135 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.242 135 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.242 135 G C 0.280 175.226 174.900 0.077 0.000 0.982 135 G CA -0.067 45.015 45.100 -0.030 0.000 0.662 135 G HN 0.560 nan 8.290 nan 0.000 0.527 136 G N -0.827 108.034 108.800 0.102 0.000 2.634 136 G HA2 0.570 4.529 3.960 -0.000 0.000 0.255 136 G HA3 0.570 4.529 3.960 -0.000 0.000 0.255 136 G C 0.062 175.131 174.900 0.282 0.000 1.205 136 G CA -0.475 44.763 45.100 0.230 0.000 0.884 136 G HN 0.661 nan 8.290 nan 0.000 0.549 137 I N 0.454 121.200 120.570 0.293 0.000 2.441 137 I HA 0.294 4.464 4.170 -0.000 0.000 0.295 137 I C -0.547 175.710 176.117 0.233 0.000 0.994 137 I CA -0.755 60.702 61.300 0.262 0.000 1.144 137 I CB 1.976 40.048 38.000 0.120 0.000 1.314 137 I HN 0.081 nan 8.210 nan 0.000 0.445 138 I N 4.201 124.908 120.570 0.228 0.000 2.404 138 I HA 0.390 4.560 4.170 -0.000 0.000 0.293 138 I C 0.097 176.309 176.117 0.159 0.000 0.992 138 I CA -0.306 61.130 61.300 0.226 0.000 1.149 138 I CB 1.378 39.530 38.000 0.255 0.000 1.315 138 I HN 0.482 nan 8.210 nan 0.000 0.446 139 T N 5.564 120.185 114.554 0.112 0.000 2.876 139 T HA 0.724 5.074 4.350 -0.000 0.000 0.289 139 T C -1.152 173.608 174.700 0.101 0.000 1.014 139 T CA -0.357 61.791 62.100 0.081 0.000 0.986 139 T CB 1.602 70.487 68.868 0.028 0.000 1.021 139 T HN 0.280 nan 8.240 nan 0.000 0.458 140 V N 4.590 124.550 119.914 0.077 0.000 2.525 140 V HA 0.569 4.689 4.120 -0.000 0.000 0.299 140 V C 0.216 176.273 176.094 -0.062 0.000 1.034 140 V CA -0.840 61.496 62.300 0.060 0.000 0.863 140 V CB 1.952 33.818 31.823 0.071 0.000 0.999 140 V HN 1.101 nan 8.190 nan 0.000 0.423 141 S N 2.733 118.371 115.700 -0.104 0.000 2.693 141 S HA 0.665 5.135 4.470 -0.000 0.000 0.276 141 S C 0.158 174.469 174.600 -0.482 0.000 1.192 141 S CA -0.377 57.627 58.200 -0.327 0.000 0.994 141 S CB 1.667 64.761 63.200 -0.177 0.000 1.012 141 S HN 1.045 nan 8.310 nan 0.000 0.550 142 S N -0.237 114.938 115.700 -0.875 0.000 2.269 142 S HA 0.322 4.792 4.470 -0.000 0.000 0.194 142 S C -1.126 172.855 174.600 -1.032 0.000 1.547 142 S CA -0.720 56.809 58.200 -1.119 0.000 1.186 142 S CB -0.670 61.531 63.200 -1.666 0.000 1.069 142 S HN 0.721 nan 8.310 nan 0.000 0.473 143 H N 2.480 121.238 119.070 -0.521 0.000 2.799 143 H HA 0.349 4.905 4.556 -0.000 0.000 0.225 143 H C -0.582 174.704 175.328 -0.071 0.000 1.904 143 H CA -0.418 55.467 56.048 -0.273 0.000 1.344 143 H CB -0.515 29.181 29.762 -0.110 0.000 1.744 143 H HN 0.488 nan 8.280 nan 0.000 0.542 144 F N 1.119 121.128 119.950 0.099 0.000 2.518 144 F HA -0.005 4.522 4.527 -0.000 0.000 0.359 144 F C 1.135 177.163 175.800 0.379 0.000 1.118 144 F CA -0.488 57.607 58.000 0.157 0.000 1.287 144 F CB 0.305 39.527 39.000 0.370 0.000 1.132 144 F HN 0.368 nan 8.300 nan 0.000 0.587 145 D N 0.998 121.568 120.400 0.283 0.000 2.364 145 D HA -0.105 4.534 4.640 -0.000 0.000 0.236 145 D C 0.257 176.792 176.300 0.391 0.000 1.221 145 D CA 0.110 54.286 54.000 0.293 0.000 0.891 145 D CB 0.344 41.205 40.800 0.101 0.000 1.190 145 D HN 0.317 nan 8.370 nan 0.000 0.449 146 N N 1.132 119.875 118.700 0.072 0.000 2.401 146 N HA 0.066 4.805 4.740 -0.000 0.000 0.255 146 N C -2.000 173.258 175.510 -0.421 0.000 1.110 146 N CA -1.554 51.151 53.050 -0.575 0.000 0.949 146 N CB 1.298 39.571 38.487 -0.357 0.000 1.110 146 N HN -0.030 nan 8.380 nan 0.000 0.490 147 P HA -0.087 nan 4.420 nan 0.000 0.222 147 P C 0.957 177.967 177.300 -0.483 0.000 1.147 147 P CA 1.127 64.001 63.100 -0.376 0.000 0.790 147 P CB 0.392 31.829 31.700 -0.438 0.000 0.780 148 K N -0.150 119.828 120.400 -0.704 0.000 2.243 148 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 148 K C 1.158 177.310 176.600 -0.745 0.000 1.051 148 K CA 1.538 57.136 56.287 -1.148 0.000 0.970 148 K CB -0.002 32.022 32.500 -0.794 0.000 0.755 148 K HN 0.159 nan 8.250 nan 0.000 0.465 149 T N -1.807 112.505 114.554 -0.403 0.000 3.111 149 T HA 0.028 4.378 4.350 -0.000 0.000 0.284 149 T C 0.804 175.443 174.700 -0.102 0.000 0.983 149 T CA -0.038 61.934 62.100 -0.214 0.000 0.900 149 T CB 0.197 68.968 68.868 -0.161 0.000 1.132 149 T HN 0.225 nan 8.240 nan 0.000 0.531 150 D N 2.419 122.776 120.400 -0.072 0.000 2.310 150 D HA -0.138 4.502 4.640 -0.000 0.000 0.212 150 D C 1.773 178.102 176.300 0.048 0.000 0.965 150 D CA 1.448 55.466 54.000 0.030 0.000 0.879 150 D CB -0.787 40.087 40.800 0.124 0.000 0.921 150 D HN 0.552 nan 8.370 nan 0.000 0.510 151 T N -3.123 111.448 114.554 0.027 0.000 3.118 151 T HA -0.037 4.313 4.350 -0.000 0.000 0.260 151 T C 1.379 176.098 174.700 0.032 0.000 1.139 151 T CA 0.367 62.491 62.100 0.040 0.000 1.085 151 T CB -0.008 68.886 68.868 0.043 0.000 0.934 151 T HN 0.001 nan 8.240 nan 0.000 0.518 152 Q N 0.698 120.508 119.800 0.017 0.000 2.280 152 Q HA 0.264 4.604 4.340 -0.000 0.000 0.201 152 Q C 0.074 176.090 176.000 0.026 0.000 0.890 152 Q CA 0.026 55.838 55.803 0.014 0.000 0.947 152 Q CB 0.283 29.017 28.738 -0.007 0.000 1.081 152 Q HN 0.605 nan 8.270 nan 0.000 0.502 153 K N 0.224 120.650 120.400 0.043 0.000 2.524 153 K HA 0.111 4.431 4.320 -0.000 0.000 0.279 153 K C 0.823 177.462 176.600 0.065 0.000 0.993 153 K CA 0.898 57.222 56.287 0.063 0.000 1.030 153 K CB 0.444 32.997 32.500 0.088 0.000 0.891 153 K HN 0.281 nan 8.250 nan 0.000 0.488 154 G N 1.389 110.234 108.800 0.076 0.000 4.227 154 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.200 154 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.200 154 G C -0.758 174.198 174.900 0.094 0.000 0.920 154 G CA -0.500 44.646 45.100 0.076 0.000 0.953 154 G HN 0.382 nan 8.290 nan 0.000 0.323 155 V N 2.082 122.046 119.914 0.084 0.000 2.294 155 V HA 0.425 4.545 4.120 -0.000 0.000 0.272 155 V C -0.159 176.011 176.094 0.126 0.000 1.027 155 V CA -0.834 61.528 62.300 0.103 0.000 0.823 155 V CB 0.732 32.594 31.823 0.066 0.000 1.030 155 V HN 0.394 nan 8.190 nan 0.000 0.457 156 W N 9.174 130.495 121.300 0.035 0.000 2.314 156 W HA 0.193 4.853 4.660 -0.000 0.000 0.339 156 W C -1.097 175.451 176.519 0.047 0.000 1.293 156 W CA -0.793 56.578 57.345 0.044 0.000 1.288 156 W CB 0.852 30.316 29.460 0.007 0.000 1.186 156 W HN 0.445 nan 8.180 nan 0.000 0.566 157 P HA 0.054 nan 4.420 nan 0.000 0.263 157 P C -0.472 176.526 177.300 -0.505 0.000 1.448 157 P CA -0.036 62.171 63.100 -1.489 0.000 0.983 157 P CB -0.015 30.685 31.700 -1.667 0.000 1.481 158 V N 1.246 121.023 119.914 -0.229 0.000 2.644 158 V HA 0.166 4.286 4.120 -0.000 0.000 0.305 158 V C 1.866 177.937 176.094 -0.037 0.000 1.053 158 V CA 1.946 64.190 62.300 -0.093 0.000 1.186 158 V CB -0.402 31.398 31.823 -0.038 0.000 0.895 158 V HN 0.602 nan 8.190 nan 0.000 0.490 159 G N 3.422 112.212 108.800 -0.016 0.000 2.199 159 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 159 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 159 G C 0.373 175.333 174.900 0.101 0.000 0.982 159 G CA 0.605 45.719 45.100 0.024 0.000 0.632 159 G HN 1.215 nan 8.290 nan 0.000 0.529 160 T N -2.544 112.096 114.554 0.144 0.000 2.880 160 T HA 0.691 5.041 4.350 -0.000 0.000 0.279 160 T C 1.609 176.531 174.700 0.370 0.000 0.990 160 T CA 0.854 63.138 62.100 0.306 0.000 0.938 160 T CB 1.293 70.445 68.868 0.475 0.000 1.206 160 T HN 0.349 nan 8.240 nan 0.000 0.573 161 S N -0.367 115.534 115.700 0.335 0.000 2.387 161 S HA -0.087 4.382 4.470 -0.000 0.000 0.230 161 S C 1.446 176.101 174.600 0.091 0.000 1.035 161 S CA 1.163 59.423 58.200 0.099 0.000 1.014 161 S CB -0.466 62.420 63.200 -0.524 0.000 0.836 161 S HN 0.723 nan 8.310 nan 0.000 0.466 162 W N 1.797 123.298 121.300 0.335 0.000 3.180 162 W HA 0.216 4.876 4.660 -0.000 0.000 0.254 162 W C 0.421 176.916 176.519 -0.041 0.000 1.318 162 W CA -0.420 57.020 57.345 0.158 0.000 1.608 162 W CB -0.444 29.049 29.460 0.056 0.000 1.124 162 W HN 0.222 nan 8.180 nan 0.000 0.694 163 D N 1.330 121.825 120.400 0.158 0.000 2.344 163 D HA 0.006 4.646 4.640 -0.000 0.000 0.253 163 D C 1.007 177.378 176.300 0.119 0.000 1.255 163 D CA 0.505 54.542 54.000 0.061 0.000 0.894 163 D CB 0.825 41.638 40.800 0.022 0.000 1.067 163 D HN 0.153 nan 8.370 nan 0.000 0.492 164 Q N 1.619 121.463 119.800 0.073 0.000 2.482 164 Q HA -0.001 4.339 4.340 -0.000 0.000 0.209 164 Q C 0.312 176.354 176.000 0.069 0.000 0.961 164 Q CA 0.332 56.177 55.803 0.070 0.000 0.945 164 Q CB 0.146 28.907 28.738 0.038 0.000 1.012 164 Q HN 0.449 nan 8.270 nan 0.000 0.515 165 T N 4.050 118.631 114.554 0.046 0.000 2.750 165 T HA -0.005 4.345 4.350 -0.000 0.000 0.277 165 T C -2.383 172.349 174.700 0.054 0.000 0.996 165 T CA -0.670 61.441 62.100 0.018 0.000 1.195 165 T CB 0.088 68.934 68.868 -0.037 0.000 0.963 165 T HN 0.056 nan 8.240 nan 0.000 0.516 166 P HA 0.263 nan 4.420 nan 0.000 0.264 166 P C -0.290 177.051 177.300 0.068 0.000 1.193 166 P CA -0.037 63.123 63.100 0.100 0.000 0.763 166 P CB 0.548 32.288 31.700 0.067 0.000 0.810 167 A N 2.906 125.820 122.820 0.156 0.000 2.661 167 A HA 0.183 4.503 4.320 -0.000 0.000 0.278 167 A C 1.286 178.935 177.584 0.109 0.000 1.090 167 A CA 0.014 52.046 52.037 -0.009 0.000 0.969 167 A CB -0.339 18.441 19.000 -0.367 0.000 1.240 167 A HN 0.298 nan 8.150 nan 0.000 0.578 168 V N -0.508 119.551 119.914 0.241 0.000 2.273 168 V HA -0.157 3.963 4.120 -0.000 0.000 0.242 168 V C 2.464 178.596 176.094 0.063 0.000 1.035 168 V CA 2.229 64.652 62.300 0.205 0.000 1.013 168 V CB -0.735 31.205 31.823 0.194 0.000 0.652 168 V HN 0.316 nan 8.190 nan 0.000 0.452 169 V N 0.596 120.538 119.914 0.047 0.000 2.392 169 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 169 V C 2.016 178.104 176.094 -0.010 0.000 1.059 169 V CA 2.240 64.544 62.300 0.007 0.000 1.051 169 V CB -0.665 31.167 31.823 0.015 0.000 0.658 169 V HN 0.579 nan 8.190 nan 0.000 0.455 170 D N -0.811 119.598 120.400 0.014 0.000 2.355 170 D HA 0.014 4.654 4.640 -0.000 0.000 0.218 170 D C 2.087 178.397 176.300 0.017 0.000 1.004 170 D CA 0.698 54.724 54.000 0.044 0.000 0.880 170 D CB 0.343 41.234 40.800 0.151 0.000 0.911 170 D HN 0.388 nan 8.370 nan 0.000 0.528 171 S N -0.322 115.352 115.700 -0.044 0.000 2.511 171 S HA 0.180 4.650 4.470 -0.000 0.000 0.214 171 S C 1.026 175.500 174.600 -0.209 0.000 0.997 171 S CA -0.284 57.854 58.200 -0.103 0.000 0.908 171 S CB 0.939 64.081 63.200 -0.097 0.000 0.803 171 S HN 0.137 nan 8.310 nan 0.000 0.504 172 L N 2.305 123.391 121.223 -0.228 0.000 2.453 172 L HA 0.286 4.626 4.340 -0.000 0.000 0.261 172 L C -2.427 174.221 176.870 -0.371 0.000 1.179 172 L CA -2.331 52.269 54.840 -0.400 0.000 0.813 172 L CB -0.184 41.711 42.059 -0.274 0.000 1.110 172 L HN -0.111 nan 8.230 nan 0.000 0.466 173 P HA 0.013 nan 4.420 nan 0.000 0.262 173 P C 0.622 177.827 177.300 -0.159 0.000 1.182 173 P CA 1.049 63.993 63.100 -0.258 0.000 0.761 173 P CB 0.640 32.227 31.700 -0.189 0.000 0.795 174 G N 1.882 110.611 108.800 -0.120 0.000 2.279 174 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.223 174 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.223 174 G C 0.624 175.464 174.900 -0.100 0.000 1.015 174 G CA -0.175 44.870 45.100 -0.093 0.000 0.621 174 G HN 0.885 nan 8.290 nan 0.000 0.506 175 G N 0.091 108.822 108.800 -0.115 0.000 2.483 175 G HA2 0.623 4.583 3.960 -0.000 0.000 0.248 175 G HA3 0.623 4.583 3.960 -0.000 0.000 0.248 175 G C 1.226 176.036 174.900 -0.150 0.000 1.248 175 G CA 0.855 45.894 45.100 -0.102 0.000 0.838 175 G HN 1.345 nan 8.290 nan 0.000 0.566 176 A N 1.226 123.923 122.820 -0.204 0.000 2.019 176 A HA -0.012 4.307 4.320 -0.000 0.000 0.219 176 A C 1.418 178.626 177.584 -0.626 0.000 1.164 176 A CA 1.096 52.868 52.037 -0.441 0.000 0.644 176 A CB -0.279 18.360 19.000 -0.601 0.000 0.805 176 A HN 0.698 nan 8.150 nan 0.000 0.449 177 Y N -0.660 119.558 120.300 -0.136 0.000 2.555 177 Y HA 0.138 4.687 4.550 -0.000 0.000 0.259 177 Y C 1.811 177.584 175.900 -0.212 0.000 1.179 177 Y CA -0.282 57.715 58.100 -0.172 0.000 1.230 177 Y CB -0.348 37.998 38.460 -0.190 0.000 1.146 177 Y HN 0.427 nan 8.280 nan 0.000 0.526 178 N N 1.643 120.271 118.700 -0.120 0.000 2.137 178 N HA -0.156 4.583 4.740 -0.000 0.000 0.190 178 N C -1.144 174.270 175.510 -0.160 0.000 1.017 178 N CA 1.398 54.349 53.050 -0.165 0.000 0.859 178 N CB -0.477 37.896 38.487 -0.189 0.000 1.002 178 N HN 0.218 nan 8.380 nan 0.000 0.428 179 P HA -0.050 nan 4.420 nan 0.000 0.220 179 P C 1.708 178.899 177.300 -0.182 0.000 1.148 179 P CA 0.638 63.662 63.100 -0.126 0.000 0.803 179 P CB 0.099 31.739 31.700 -0.099 0.000 0.782 180 V N -0.383 119.401 119.914 -0.216 0.000 2.323 180 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 180 V C 2.361 178.006 176.094 -0.749 0.000 1.041 180 V CA 1.409 63.491 62.300 -0.364 0.000 1.025 180 V CB -1.287 30.386 31.823 -0.250 0.000 0.656 180 V HN 0.048 nan 8.190 nan 0.000 0.451 181 L N 1.193 122.049 121.223 -0.612 0.000 2.042 181 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 181 L C 2.197 178.775 176.870 -0.487 0.000 1.076 181 L CA 2.042 56.513 54.840 -0.615 0.000 0.749 181 L CB -1.033 40.867 42.059 -0.265 0.000 0.893 181 L HN 0.313 nan 8.230 nan 0.000 0.432 182 N N 0.278 118.748 118.700 -0.383 0.000 2.149 182 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 182 N C 1.817 177.192 175.510 -0.225 0.000 1.019 182 N CA 1.415 54.205 53.050 -0.433 0.000 0.857 182 N CB -0.941 37.366 38.487 -0.299 0.000 0.997 182 N HN 0.567 nan 8.380 nan 0.000 0.426 183 G N 0.097 108.779 108.800 -0.197 0.000 2.418 183 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 183 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 183 G C 1.106 176.043 174.900 0.062 0.000 1.158 183 G CA 0.575 45.641 45.100 -0.057 0.000 0.771 183 G HN 0.248 nan 8.290 nan 0.000 0.545 184 Y N 0.747 120.993 120.300 -0.090 0.000 2.145 184 Y HA 0.040 4.589 4.550 -0.000 0.000 0.286 184 Y C 2.810 178.680 175.900 -0.050 0.000 1.145 184 Y CA 0.165 58.203 58.100 -0.103 0.000 1.148 184 Y CB -1.074 37.161 38.460 -0.375 0.000 0.981 184 Y HN 0.086 nan 8.280 nan 0.000 0.507 185 L N -0.388 120.860 121.223 0.041 0.000 2.141 185 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 185 L C 1.985 178.988 176.870 0.221 0.000 1.094 185 L CA 1.242 56.153 54.840 0.118 0.000 0.763 185 L CB -0.550 41.497 42.059 -0.020 0.000 0.908 185 L HN 0.124 nan 8.230 nan 0.000 0.437 186 D N 0.039 120.569 120.400 0.218 0.000 2.123 186 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 186 D C 2.291 178.682 176.300 0.151 0.000 0.992 186 D CA 1.260 55.383 54.000 0.205 0.000 0.833 186 D CB -0.104 40.794 40.800 0.164 0.000 0.954 186 D HN 0.441 nan 8.370 nan 0.000 0.455 187 Q N 0.071 119.965 119.800 0.157 0.000 2.083 187 Q HA -0.051 4.288 4.340 -0.000 0.000 0.198 187 Q C 2.447 178.545 176.000 0.164 0.000 0.969 187 Q CA 0.576 56.470 55.803 0.151 0.000 0.838 187 Q CB 0.124 28.953 28.738 0.152 0.000 0.900 187 Q HN 0.125 nan 8.270 nan 0.000 0.436 188 V N 1.147 121.161 119.914 0.168 0.000 2.287 188 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 188 V C 2.268 178.454 176.094 0.152 0.000 1.053 188 V CA 1.968 64.355 62.300 0.144 0.000 1.027 188 V CB -0.978 30.925 31.823 0.134 0.000 0.646 188 V HN 0.409 nan 8.190 nan 0.000 0.447 189 A N -0.543 122.334 122.820 0.095 0.000 1.898 189 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 189 A C 2.284 179.872 177.584 0.007 0.000 1.181 189 A CA 1.902 53.936 52.037 -0.005 0.000 0.620 189 A CB -0.518 18.481 19.000 -0.002 0.000 0.819 189 A HN 0.618 nan 8.150 nan 0.000 0.442 190 E N -1.532 118.708 120.200 0.067 0.000 2.110 190 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 190 E C 1.773 178.420 176.600 0.079 0.000 0.988 190 E CA 1.386 57.817 56.400 0.052 0.000 0.804 190 E CB -0.270 29.472 29.700 0.070 0.000 0.745 190 E HN 0.779 nan 8.360 nan 0.000 0.458 191 W N 0.885 122.152 121.300 -0.054 0.000 2.354 191 W HA -0.165 4.495 4.660 -0.000 0.000 0.315 191 W C 2.246 178.708 176.519 -0.095 0.000 1.206 191 W CA 2.348 59.657 57.345 -0.059 0.000 1.290 191 W CB -0.481 28.962 29.460 -0.027 0.000 1.152 191 W HN 0.150 nan 8.180 nan 0.000 0.489 192 A N 0.614 123.525 122.820 0.151 0.000 1.902 192 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 192 A C 1.744 179.160 177.584 -0.281 0.000 1.181 192 A CA 2.005 53.955 52.037 -0.144 0.000 0.623 192 A CB -1.055 17.719 19.000 -0.377 0.000 0.818 192 A HN 0.430 nan 8.150 nan 0.000 0.443 193 N N 0.449 119.023 118.700 -0.210 0.000 2.459 193 N HA -0.050 4.690 4.740 -0.000 0.000 0.181 193 N C 0.686 176.080 175.510 -0.192 0.000 1.046 193 N CA 0.763 53.699 53.050 -0.191 0.000 0.904 193 N CB -0.269 38.134 38.487 -0.140 0.000 0.964 193 N HN 0.526 nan 8.380 nan 0.000 0.444 194 N N 0.141 118.706 118.700 -0.225 0.000 2.187 194 N HA 0.043 4.783 4.740 -0.000 0.000 0.212 194 N C -0.374 174.938 175.510 -0.330 0.000 1.152 194 N CA -0.137 52.774 53.050 -0.231 0.000 0.872 194 N CB 0.899 39.280 38.487 -0.176 0.000 1.025 194 N HN 0.087 nan 8.380 nan 0.000 0.514 195 L N 2.131 123.087 121.223 -0.445 0.000 2.375 195 L HA 0.224 4.564 4.340 -0.000 0.000 0.276 195 L C -0.370 176.250 176.870 -0.417 0.000 1.162 195 L CA 0.231 54.736 54.840 -0.559 0.000 0.991 195 L CB -0.314 41.257 42.059 -0.814 0.000 1.315 195 L HN -0.199 nan 8.230 nan 0.000 0.431 196 K N 2.100 122.303 120.400 -0.329 0.000 2.318 196 K HA 0.421 4.741 4.320 -0.000 0.000 0.249 196 K C -0.678 175.790 176.600 -0.219 0.000 0.942 196 K CA -0.919 55.213 56.287 -0.258 0.000 0.808 196 K CB 1.643 34.029 32.500 -0.189 0.000 1.189 196 K HN 0.533 nan 8.250 nan 0.000 0.428 197 D N 0.316 120.611 120.400 -0.176 0.000 2.440 197 D HA -0.011 4.629 4.640 -0.000 0.000 0.269 197 D C 0.484 176.752 176.300 -0.053 0.000 1.249 197 D CA -0.112 53.847 54.000 -0.067 0.000 1.055 197 D CB 0.467 41.321 40.800 0.090 0.000 1.104 197 D HN 0.468 nan 8.370 nan 0.000 0.561 198 E N -1.306 118.881 120.200 -0.023 0.000 2.347 198 E HA -0.113 4.236 4.350 -0.000 0.000 0.196 198 E C 1.297 177.879 176.600 -0.031 0.000 1.008 198 E CA 0.561 56.942 56.400 -0.033 0.000 0.852 198 E CB 0.065 29.749 29.700 -0.027 0.000 0.783 198 E HN 0.398 nan 8.360 nan 0.000 0.505 199 Q N -0.676 119.110 119.800 -0.024 0.000 2.360 199 Q HA 0.091 4.431 4.340 -0.000 0.000 0.202 199 Q C 1.188 177.167 176.000 -0.036 0.000 0.915 199 Q CA 0.642 56.431 55.803 -0.024 0.000 0.943 199 Q CB 1.170 29.901 28.738 -0.012 0.000 1.064 199 Q HN 0.368 nan 8.270 nan 0.000 0.511 200 G N 1.708 110.476 108.800 -0.053 0.000 2.143 200 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.249 200 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.249 200 G C 0.031 174.884 174.900 -0.079 0.000 0.981 200 G CA -0.077 44.982 45.100 -0.069 0.000 0.665 200 G HN 0.232 nan 8.290 nan 0.000 0.528 201 R N -0.511 119.944 120.500 -0.076 0.000 2.486 201 R HA 0.623 4.963 4.340 -0.000 0.000 0.286 201 R C 0.722 176.931 176.300 -0.150 0.000 0.999 201 R CA -0.818 55.231 56.100 -0.084 0.000 0.993 201 R CB 1.066 31.341 30.300 -0.041 0.000 1.084 201 R HN 0.212 nan 8.270 nan 0.000 0.487 202 L N 2.973 124.097 121.223 -0.164 0.000 2.461 202 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 202 L C 0.378 177.038 176.870 -0.350 0.000 1.197 202 L CA 0.115 54.812 54.840 -0.238 0.000 0.836 202 L CB 0.354 42.301 42.059 -0.188 0.000 1.105 202 L HN 0.400 nan 8.230 nan 0.000 0.477 203 I N 4.196 124.468 120.570 -0.497 0.000 2.325 203 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 203 I C -2.028 173.847 176.117 -0.403 0.000 1.019 203 I CA -1.864 58.963 61.300 -0.788 0.000 1.302 203 I CB 1.201 38.661 38.000 -0.900 0.000 1.401 203 I HN 0.315 nan 8.210 nan 0.000 0.485 204 P HA 0.159 nan 4.420 nan 0.000 0.271 204 P C -0.998 176.363 177.300 0.102 0.000 1.218 204 P CA -0.107 63.014 63.100 0.036 0.000 0.780 204 P CB 0.860 32.692 31.700 0.219 0.000 0.901 205 V N 4.139 124.171 119.914 0.196 0.000 2.686 205 V HA 0.328 4.448 4.120 -0.000 0.000 0.306 205 V C 0.018 176.158 176.094 0.077 0.000 1.065 205 V CA -0.554 61.847 62.300 0.170 0.000 0.894 205 V CB 2.032 33.993 31.823 0.229 0.000 1.004 205 V HN 0.372 nan 8.190 nan 0.000 0.424 206 I N 5.004 125.626 120.570 0.086 0.000 2.308 206 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 206 I C -0.695 175.409 176.117 -0.022 0.000 1.078 206 I CA 0.015 61.357 61.300 0.071 0.000 1.292 206 I CB 0.316 38.428 38.000 0.187 0.000 1.423 206 I HN 0.479 nan 8.210 nan 0.000 0.493 207 F N 7.587 127.289 119.950 -0.414 0.000 2.371 207 F HA 0.416 4.942 4.527 -0.000 0.000 0.363 207 F C 0.371 176.024 175.800 -0.244 0.000 1.122 207 F CA -0.885 56.786 58.000 -0.548 0.000 1.129 207 F CB 0.628 38.932 39.000 -1.159 0.000 1.173 207 F HN 0.352 nan 8.300 nan 0.000 0.489 208 R N 7.377 127.542 120.500 -0.558 0.000 2.215 208 R HA 0.494 4.834 4.340 -0.000 0.000 0.336 208 R C -1.617 174.214 176.300 -0.782 0.000 0.996 208 R CA -0.438 55.419 56.100 -0.405 0.000 0.847 208 R CB 0.467 30.663 30.300 -0.174 0.000 1.127 208 R HN 0.807 nan 8.270 nan 0.000 0.465 209 L N 5.463 126.293 121.223 -0.655 0.000 2.295 209 L HA 0.349 4.689 4.340 -0.000 0.000 0.285 209 L C -0.563 175.956 176.870 -0.585 0.000 1.035 209 L CA -0.877 53.368 54.840 -0.990 0.000 0.806 209 L CB 0.953 42.339 42.059 -1.122 0.000 1.214 209 L HN 0.761 nan 8.230 nan 0.000 0.426 210 Y N 1.609 121.409 120.300 -0.833 0.000 3.078 210 Y HA -0.261 4.288 4.550 -0.000 0.000 0.202 210 Y C 0.811 176.595 175.900 -0.194 0.000 1.322 210 Y CA 0.692 58.108 58.100 -1.140 0.000 1.118 210 Y CB -2.594 35.355 38.460 -0.853 0.000 1.343 210 Y HN 0.672 nan 8.280 nan 0.000 0.499 211 H N -1.433 117.578 119.070 -0.099 0.000 2.660 211 H HA 0.593 5.149 4.556 -0.000 0.000 0.374 211 H C 1.236 176.769 175.328 0.343 0.000 1.291 211 H CA -0.499 55.607 56.048 0.096 0.000 1.437 211 H CB 1.079 30.835 29.762 -0.010 0.000 1.509 211 H HN 0.700 nan 8.280 nan 0.000 0.614 212 A N 1.467 124.356 122.820 0.116 0.000 2.822 212 A HA -0.353 3.967 4.320 -0.000 0.000 0.287 212 A C 1.133 178.599 177.584 -0.196 0.000 1.479 212 A CA 1.356 53.356 52.037 -0.062 0.000 0.779 212 A CB -2.892 16.099 19.000 -0.016 0.000 1.022 212 A HN 1.002 nan 8.150 nan 0.000 0.532 213 N N -1.092 117.558 118.700 -0.083 0.000 2.494 213 N HA -0.013 4.727 4.740 -0.000 0.000 0.182 213 N C 1.175 176.486 175.510 -0.332 0.000 1.076 213 N CA 1.255 54.222 53.050 -0.139 0.000 0.908 213 N CB -0.379 37.948 38.487 -0.267 0.000 0.967 213 N HN 0.734 nan 8.380 nan 0.000 0.449 214 T N -4.288 110.059 114.554 -0.346 0.000 3.129 214 T HA 0.269 4.619 4.350 -0.000 0.000 0.251 214 T C 0.949 175.432 174.700 -0.362 0.000 1.117 214 T CA -0.186 61.730 62.100 -0.306 0.000 1.034 214 T CB -0.049 68.636 68.868 -0.305 0.000 0.968 214 T HN 0.266 nan 8.240 nan 0.000 0.526 215 G N 0.814 109.238 108.800 -0.627 0.000 2.613 215 G HA2 0.483 4.442 3.960 -0.000 0.000 0.303 215 G HA3 0.483 4.442 3.960 -0.000 0.000 0.303 215 G C 0.275 174.699 174.900 -0.795 0.000 1.312 215 G CA -0.293 44.299 45.100 -0.846 0.000 1.036 215 G HN 0.340 nan 8.290 nan 0.000 0.513 216 S N -1.949 113.389 115.700 -0.602 0.000 2.754 216 S HA 0.061 4.531 4.470 -0.000 0.000 0.247 216 S C 0.839 175.278 174.600 -0.269 0.000 1.031 216 S CA -0.196 57.786 58.200 -0.364 0.000 1.014 216 S CB -0.383 62.728 63.200 -0.148 0.000 0.918 216 S HN 0.836 nan 8.310 nan 0.000 0.519 217 W N 0.061 121.152 121.300 -0.348 0.000 3.139 217 W HA 0.629 5.288 4.660 -0.000 0.000 0.260 217 W C -0.536 175.655 176.519 -0.546 0.000 1.312 217 W CA -0.888 56.219 57.345 -0.397 0.000 1.606 217 W CB -0.403 28.802 29.460 -0.424 0.000 1.118 217 W HN 0.061 nan 8.180 nan 0.000 0.675 218 F N 1.028 120.603 119.950 -0.624 0.000 2.541 218 F HA 0.285 4.811 4.527 -0.000 0.000 0.331 218 F C 1.484 176.797 175.800 -0.811 0.000 1.057 218 F CA -2.564 54.842 58.000 -0.990 0.000 0.975 218 F CB 0.237 38.004 39.000 -2.055 0.000 1.246 218 F HN 0.030 nan 8.300 nan 0.000 0.484 219 W N 0.403 121.463 121.300 -0.400 0.000 2.611 219 W HA -0.084 4.576 4.660 -0.000 0.000 0.251 219 W C 0.494 177.016 176.519 0.004 0.000 1.265 219 W CA 0.362 57.627 57.345 -0.133 0.000 1.295 219 W CB -0.951 28.511 29.460 0.002 0.000 1.129 219 W HN 0.789 nan 8.180 nan 0.000 0.630 220 W N 1.696 122.873 121.300 -0.204 0.000 3.239 220 W HA 0.673 5.332 4.660 -0.000 0.000 0.368 220 W C 0.751 177.251 176.519 -0.032 0.000 1.154 220 W CA -0.975 56.269 57.345 -0.169 0.000 1.860 220 W CB -0.867 28.273 29.460 -0.533 0.000 1.094 220 W HN -0.169 nan 8.180 nan 0.000 0.643 221 G N 1.526 110.214 108.800 -0.188 0.000 2.516 221 G HA2 0.058 4.018 3.960 -0.000 0.000 0.276 221 G HA3 0.058 4.018 3.960 -0.000 0.000 0.276 221 G C 0.692 175.523 174.900 -0.115 0.000 1.390 221 G CA 0.371 45.331 45.100 -0.233 0.000 1.050 221 G HN 0.232 nan 8.290 nan 0.000 0.519 222 D N -1.224 119.072 120.400 -0.174 0.000 2.323 222 D HA -0.041 4.598 4.640 -0.000 0.000 0.209 222 D C 1.604 177.870 176.300 -0.056 0.000 0.973 222 D CA 0.683 54.619 54.000 -0.105 0.000 0.874 222 D CB 0.041 40.765 40.800 -0.127 0.000 0.930 222 D HN 0.426 nan 8.370 nan 0.000 0.521 223 K N -0.580 119.783 120.400 -0.061 0.000 2.400 223 K HA 0.061 4.381 4.320 -0.000 0.000 0.194 223 K C 1.426 178.026 176.600 0.001 0.000 1.033 223 K CA 0.352 56.624 56.287 -0.025 0.000 1.021 223 K CB 0.356 32.840 32.500 -0.027 0.000 0.808 223 K HN 0.030 nan 8.250 nan 0.000 0.505 224 Q N -0.049 119.757 119.800 0.010 0.000 2.384 224 Q HA 0.062 4.401 4.340 -0.000 0.000 0.207 224 Q C -0.223 175.826 176.000 0.083 0.000 0.904 224 Q CA 0.041 55.877 55.803 0.055 0.000 0.933 224 Q CB 1.234 30.021 28.738 0.083 0.000 1.077 224 Q HN 0.137 nan 8.270 nan 0.000 0.522 225 S N -1.607 114.137 115.700 0.074 0.000 2.537 225 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 225 S C -0.173 174.469 174.600 0.071 0.000 1.142 225 S CA -0.829 57.427 58.200 0.093 0.000 0.870 225 S CB 1.301 64.598 63.200 0.162 0.000 1.112 225 S HN 0.138 nan 8.310 nan 0.000 0.466 226 T N -0.541 114.051 114.554 0.063 0.000 2.860 226 T HA 0.433 4.782 4.350 -0.000 0.000 0.299 226 T C -1.901 172.846 174.700 0.079 0.000 1.045 226 T CA -1.151 60.982 62.100 0.054 0.000 1.071 226 T CB -0.070 68.822 68.868 0.040 0.000 0.985 226 T HN 0.334 nan 8.240 nan 0.000 0.537 227 P HA -0.128 nan 4.420 nan 0.000 0.216 227 P C 1.523 178.882 177.300 0.098 0.000 1.153 227 P CA 1.134 64.287 63.100 0.087 0.000 0.858 227 P CB 0.066 31.799 31.700 0.055 0.000 0.789 228 E N 0.008 120.241 120.200 0.055 0.000 2.110 228 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 228 E C 2.059 178.672 176.600 0.020 0.000 0.988 228 E CA 1.611 58.027 56.400 0.028 0.000 0.804 228 E CB -0.771 28.937 29.700 0.014 0.000 0.745 228 E HN 0.246 nan 8.360 nan 0.000 0.458 229 Q N -1.293 118.531 119.800 0.041 0.000 2.079 229 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 229 Q C 1.933 177.948 176.000 0.026 0.000 0.974 229 Q CA 1.618 57.437 55.803 0.026 0.000 0.840 229 Q CB -0.370 28.394 28.738 0.043 0.000 0.898 229 Q HN 0.446 nan 8.270 nan 0.000 0.430 230 Y N 1.584 121.877 120.300 -0.011 0.000 2.145 230 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 230 Y C 1.799 177.686 175.900 -0.022 0.000 1.145 230 Y CA 1.640 59.737 58.100 -0.005 0.000 1.148 230 Y CB 0.102 38.583 38.460 0.035 0.000 0.981 230 Y HN -0.111 nan 8.280 nan 0.000 0.507 231 K N -0.395 119.987 120.400 -0.029 0.000 2.063 231 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 231 K C 2.094 178.548 176.600 -0.244 0.000 1.048 231 K CA 1.527 57.709 56.287 -0.176 0.000 0.928 231 K CB -0.171 32.262 32.500 -0.112 0.000 0.713 231 K HN 0.366 nan 8.250 nan 0.000 0.442 232 Q N 0.725 120.421 119.800 -0.174 0.000 2.084 232 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 232 Q C 2.235 178.144 176.000 -0.150 0.000 0.978 232 Q CA 1.018 56.722 55.803 -0.164 0.000 0.844 232 Q CB -0.377 28.297 28.738 -0.107 0.000 0.898 232 Q HN 0.230 nan 8.270 nan 0.000 0.426 233 L N -0.037 121.070 121.223 -0.193 0.000 2.012 233 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 233 L C 2.151 178.948 176.870 -0.123 0.000 1.073 233 L CA 1.597 56.316 54.840 -0.202 0.000 0.748 233 L CB -0.730 41.088 42.059 -0.401 0.000 0.891 233 L HN 0.108 nan 8.230 nan 0.000 0.431 234 F N 0.244 119.949 119.950 -0.407 0.000 2.102 234 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 234 F C 2.589 178.234 175.800 -0.258 0.000 1.105 234 F CA 1.689 59.556 58.000 -0.222 0.000 1.239 234 F CB -0.224 38.551 39.000 -0.376 0.000 0.991 234 F HN -0.004 nan 8.300 nan 0.000 0.474 235 R N -1.425 118.938 120.500 -0.229 0.000 2.075 235 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 235 R C 2.188 178.199 176.300 -0.483 0.000 1.126 235 R CA 1.732 57.346 56.100 -0.810 0.000 0.963 235 R CB -1.067 28.450 30.300 -1.304 0.000 0.858 235 R HN 0.432 nan 8.270 nan 0.000 0.435 236 Y N 1.550 121.667 120.300 -0.304 0.000 2.165 236 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 236 Y C 2.229 178.117 175.900 -0.021 0.000 1.155 236 Y CA 1.715 59.737 58.100 -0.130 0.000 1.164 236 Y CB -0.213 38.188 38.460 -0.099 0.000 0.978 236 Y HN -0.082 nan 8.280 nan 0.000 0.513 237 S N -0.626 115.027 115.700 -0.078 0.000 2.368 237 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 237 S C 2.136 176.715 174.600 -0.036 0.000 1.029 237 S CA 1.284 59.454 58.200 -0.051 0.000 0.988 237 S CB -0.672 62.622 63.200 0.157 0.000 0.838 237 S HN 0.329 nan 8.310 nan 0.000 0.462 238 V N 1.957 121.806 119.914 -0.108 0.000 2.295 238 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 238 V C 2.501 178.602 176.094 0.013 0.000 1.049 238 V CA 2.059 64.276 62.300 -0.138 0.000 1.024 238 V CB -0.625 31.081 31.823 -0.194 0.000 0.648 238 V HN 0.542 nan 8.190 nan 0.000 0.447 239 E N -0.838 119.404 120.200 0.070 0.000 2.077 239 E HA -0.287 4.063 4.350 -0.000 0.000 0.193 239 E C 2.181 178.774 176.600 -0.011 0.000 0.989 239 E CA 1.729 58.193 56.400 0.106 0.000 0.800 239 E CB -0.277 29.495 29.700 0.120 0.000 0.746 239 E HN 0.698 nan 8.360 nan 0.000 0.452 240 Y N 0.976 121.121 120.300 -0.259 0.000 2.145 240 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 240 Y C 2.018 177.853 175.900 -0.108 0.000 1.145 240 Y CA 1.820 59.760 58.100 -0.267 0.000 1.148 240 Y CB -0.152 38.029 38.460 -0.466 0.000 0.981 240 Y HN 0.029 nan 8.280 nan 0.000 0.507 241 L N -0.270 121.032 121.223 0.130 0.000 2.017 241 L HA -0.245 4.094 4.340 -0.000 0.000 0.208 241 L C 2.755 179.633 176.870 0.012 0.000 1.073 241 L CA 1.938 56.840 54.840 0.104 0.000 0.745 241 L CB -0.577 41.636 42.059 0.256 0.000 0.894 241 L HN 0.149 nan 8.230 nan 0.000 0.432 242 R N -0.177 120.356 120.500 0.055 0.000 2.055 242 R HA -0.122 4.217 4.340 -0.000 0.000 0.226 242 R C 1.748 178.031 176.300 -0.029 0.000 1.135 242 R CA 1.766 57.891 56.100 0.042 0.000 0.959 242 R CB 0.025 30.374 30.300 0.083 0.000 0.854 242 R HN 0.317 nan 8.270 nan 0.000 0.431 243 D N -0.524 119.848 120.400 -0.046 0.000 2.262 243 D HA -0.032 4.608 4.640 -0.000 0.000 0.212 243 D C 1.943 178.166 176.300 -0.129 0.000 0.964 243 D CA 0.724 54.685 54.000 -0.065 0.000 0.875 243 D CB 0.106 40.888 40.800 -0.029 0.000 0.996 243 D HN 0.080 nan 8.370 nan 0.000 0.497 244 V N 1.111 120.887 119.914 -0.231 0.000 2.446 244 V HA -0.064 4.056 4.120 -0.000 0.000 0.244 244 V C 1.884 177.784 176.094 -0.324 0.000 1.039 244 V CA 1.199 63.292 62.300 -0.345 0.000 1.045 244 V CB -0.102 31.323 31.823 -0.664 0.000 0.681 244 V HN 0.039 nan 8.190 nan 0.000 0.459 245 K N -0.172 120.039 120.400 -0.315 0.000 2.353 245 K HA 0.310 4.630 4.320 -0.000 0.000 0.195 245 K C 1.413 177.925 176.600 -0.146 0.000 1.031 245 K CA 0.724 56.880 56.287 -0.218 0.000 1.079 245 K CB 0.449 32.836 32.500 -0.187 0.000 0.857 245 K HN 0.498 nan 8.250 nan 0.000 0.535 246 G N 1.877 110.599 108.800 -0.130 0.000 2.176 246 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.252 246 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.252 246 G C 0.132 174.962 174.900 -0.117 0.000 1.024 246 G CA 0.233 45.271 45.100 -0.103 0.000 0.755 246 G HN 0.096 nan 8.290 nan 0.000 0.507 247 V N 0.698 120.527 119.914 -0.142 0.000 2.529 247 V HA 0.287 4.407 4.120 -0.000 0.000 0.292 247 V C 1.425 177.431 176.094 -0.147 0.000 1.028 247 V CA 0.270 62.431 62.300 -0.233 0.000 1.074 247 V CB 1.235 32.811 31.823 -0.411 0.000 0.958 247 V HN 0.392 nan 8.190 nan 0.000 0.481 248 R N 3.280 123.686 120.500 -0.157 0.000 2.509 248 R HA 0.156 4.496 4.340 -0.000 0.000 0.297 248 R C 0.624 176.897 176.300 -0.046 0.000 0.951 248 R CA 0.053 56.111 56.100 -0.069 0.000 1.103 248 R CB 0.194 30.457 30.300 -0.062 0.000 1.283 248 R HN 0.882 nan 8.270 nan 0.000 0.534 249 N N -0.393 118.246 118.700 -0.100 0.000 2.291 249 N HA 0.067 4.807 4.740 -0.000 0.000 0.244 249 N C -0.629 175.002 175.510 0.202 0.000 1.216 249 N CA -0.198 52.850 53.050 -0.004 0.000 0.879 249 N CB 0.228 38.668 38.487 -0.078 0.000 1.167 249 N HN -0.178 nan 8.380 nan 0.000 0.515 250 F N 1.076 120.984 119.950 -0.070 0.000 2.450 250 F HA 0.555 5.082 4.527 -0.000 0.000 0.332 250 F C 0.440 176.136 175.800 -0.173 0.000 1.093 250 F CA -1.675 56.207 58.000 -0.197 0.000 1.003 250 F CB 1.483 40.177 39.000 -0.509 0.000 1.151 250 F HN -0.184 nan 8.300 nan 0.000 0.474 251 L N 3.591 124.843 121.223 0.048 0.000 2.322 251 L HA 0.412 4.752 4.340 -0.000 0.000 0.279 251 L C -1.136 175.705 176.870 -0.049 0.000 1.036 251 L CA -0.937 53.966 54.840 0.106 0.000 0.807 251 L CB 1.315 43.531 42.059 0.263 0.000 1.226 251 L HN 0.435 nan 8.230 nan 0.000 0.433 252 Y N 1.366 121.859 120.300 0.321 0.000 2.330 252 Y HA 0.614 5.163 4.550 -0.000 0.000 0.336 252 Y C 0.361 176.476 175.900 0.358 0.000 1.036 252 Y CA -0.601 57.691 58.100 0.321 0.000 1.125 252 Y CB 1.800 40.487 38.460 0.378 0.000 1.194 252 Y HN 0.574 nan 8.280 nan 0.000 0.469 253 A N 3.268 126.345 122.820 0.428 0.000 2.342 253 A HA 0.618 4.937 4.320 -0.000 0.000 0.323 253 A C -2.080 175.824 177.584 0.533 0.000 1.125 253 A CA -0.670 51.610 52.037 0.405 0.000 0.785 253 A CB 0.698 19.846 19.000 0.247 0.000 1.221 253 A HN 0.676 nan 8.150 nan 0.000 0.463 254 Y N 1.684 122.217 120.300 0.388 0.000 2.377 254 Y HA 0.619 5.169 4.550 -0.000 0.000 0.339 254 Y C 0.095 176.174 175.900 0.299 0.000 1.011 254 Y CA -0.801 57.507 58.100 0.347 0.000 1.093 254 Y CB 2.009 40.619 38.460 0.250 0.000 1.201 254 Y HN 0.584 nan 8.280 nan 0.000 0.455 255 S N 8.939 124.400 115.700 -0.398 0.000 2.356 255 S HA 0.406 4.876 4.470 -0.000 0.000 0.171 255 S C -3.100 171.298 174.600 -0.337 0.000 1.399 255 S CA -1.194 56.862 58.200 -0.240 0.000 1.225 255 S CB 0.377 63.588 63.200 0.019 0.000 1.271 255 S HN 0.558 nan 8.310 nan 0.000 0.427 256 P HA 0.262 nan 4.420 nan 0.000 0.277 256 P C -0.420 176.769 177.300 -0.185 0.000 1.276 256 P CA -0.538 62.337 63.100 -0.375 0.000 0.788 256 P CB 0.549 32.000 31.700 -0.415 0.000 1.114 257 N N 0.729 119.276 118.700 -0.255 0.000 2.399 257 N HA 0.039 4.779 4.740 -0.000 0.000 0.250 257 N C 0.450 175.763 175.510 -0.328 0.000 1.272 257 N CA -0.090 52.868 53.050 -0.154 0.000 0.928 257 N CB -0.060 38.369 38.487 -0.096 0.000 1.158 257 N HN 0.505 nan 8.380 nan 0.000 0.463 258 N N 0.356 118.986 118.700 -0.117 0.000 2.395 258 N HA -0.041 4.699 4.740 -0.000 0.000 0.246 258 N C -0.857 174.304 175.510 -0.581 0.000 1.246 258 N CA 0.473 53.337 53.050 -0.309 0.000 0.879 258 N CB 0.125 38.454 38.487 -0.264 0.000 1.098 258 N HN 0.262 nan 8.380 nan 0.000 0.444 259 F N -0.267 119.494 119.950 -0.316 0.000 2.422 259 F HA 0.313 4.840 4.527 -0.000 0.000 0.333 259 F C 0.863 176.453 175.800 -0.350 0.000 1.095 259 F CA -0.878 56.995 58.000 -0.211 0.000 1.038 259 F CB 0.864 39.794 39.000 -0.116 0.000 1.156 259 F HN 0.550 nan 8.300 nan 0.000 0.483 260 W N -0.272 121.115 121.300 0.146 0.000 2.576 260 W HA -0.010 4.649 4.660 -0.000 0.000 0.275 260 W C 0.561 177.129 176.519 0.081 0.000 1.241 260 W CA 0.183 57.582 57.345 0.089 0.000 1.328 260 W CB 0.169 29.674 29.460 0.074 0.000 1.092 260 W HN 0.280 nan 8.180 nan 0.000 0.586 261 D N 0.495 121.067 120.400 0.287 0.000 2.479 261 D HA 0.147 4.787 4.640 -0.000 0.000 0.218 261 D C -0.659 175.684 176.300 0.072 0.000 1.131 261 D CA -0.116 53.978 54.000 0.156 0.000 0.916 261 D CB 0.621 41.502 40.800 0.135 0.000 1.022 261 D HN -0.303 nan 8.370 nan 0.000 0.515 262 V N 4.794 124.716 119.914 0.013 0.000 2.313 262 V HA 0.283 4.402 4.120 -0.000 0.000 0.252 262 V C 0.673 176.692 176.094 -0.125 0.000 1.112 262 V CA -0.086 62.168 62.300 -0.076 0.000 0.984 262 V CB -0.157 31.605 31.823 -0.103 0.000 1.157 262 V HN 0.701 nan 8.190 nan 0.000 0.493 263 T N -0.607 113.832 114.554 -0.193 0.000 2.906 263 T HA 0.416 4.765 4.350 -0.000 0.000 0.295 263 T C 0.710 175.275 174.700 -0.226 0.000 1.061 263 T CA -0.602 61.394 62.100 -0.173 0.000 1.000 263 T CB 2.297 71.092 68.868 -0.121 0.000 1.103 263 T HN 0.452 nan 8.240 nan 0.000 0.486 264 E N 1.115 121.213 120.200 -0.170 0.000 2.085 264 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 264 E C 2.223 178.751 176.600 -0.120 0.000 0.994 264 E CA 1.492 57.799 56.400 -0.154 0.000 0.801 264 E CB -0.449 29.175 29.700 -0.125 0.000 0.743 264 E HN 0.805 nan 8.360 nan 0.000 0.453 265 A N 1.041 123.798 122.820 -0.107 0.000 1.933 265 A HA -0.214 4.105 4.320 -0.000 0.000 0.218 265 A C 1.924 179.445 177.584 -0.105 0.000 1.175 265 A CA 1.629 53.622 52.037 -0.075 0.000 0.628 265 A CB -0.566 18.403 19.000 -0.052 0.000 0.814 265 A HN 0.255 nan 8.150 nan 0.000 0.444 266 N N -1.433 117.143 118.700 -0.207 0.000 2.142 266 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 266 N C 1.547 176.777 175.510 -0.467 0.000 1.023 266 N CA 1.588 54.445 53.050 -0.322 0.000 0.852 266 N CB -0.636 37.574 38.487 -0.462 0.000 0.998 266 N HN 0.639 nan 8.380 nan 0.000 0.424 267 Y N 1.323 121.198 120.300 -0.708 0.000 2.224 267 Y HA -0.014 4.535 4.550 -0.000 0.000 0.289 267 Y C 2.001 177.873 175.900 -0.048 0.000 1.146 267 Y CA 1.196 59.052 58.100 -0.406 0.000 1.182 267 Y CB -0.164 38.098 38.460 -0.329 0.000 0.983 267 Y HN 0.010 nan 8.280 nan 0.000 0.524 268 L N -0.092 121.174 121.223 0.072 0.000 2.376 268 L HA -0.133 4.207 4.340 -0.000 0.000 0.219 268 L C 2.354 179.283 176.870 0.098 0.000 1.133 268 L CA 1.122 56.030 54.840 0.113 0.000 0.816 268 L CB -0.462 41.641 42.059 0.073 0.000 0.933 268 L HN 0.295 nan 8.230 nan 0.000 0.449 269 E N 1.011 121.241 120.200 0.051 0.000 2.085 269 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 269 E C 1.750 178.386 176.600 0.059 0.000 0.994 269 E CA 1.354 57.785 56.400 0.052 0.000 0.801 269 E CB 0.196 29.925 29.700 0.049 0.000 0.743 269 E HN 0.415 nan 8.360 nan 0.000 0.453 270 R N -0.826 119.713 120.500 0.064 0.000 2.472 270 R HA 0.062 4.402 4.340 -0.000 0.000 0.279 270 R C -0.404 175.863 176.300 -0.054 0.000 0.953 270 R CA -0.407 55.721 56.100 0.047 0.000 1.088 270 R CB 0.345 30.617 30.300 -0.046 0.000 1.197 270 R HN 0.135 nan 8.270 nan 0.000 0.536 271 Y N 2.998 123.134 120.300 -0.273 0.000 2.632 271 Y HA 0.076 4.626 4.550 -0.000 0.000 0.329 271 Y C -1.746 173.880 175.900 -0.456 0.000 1.174 271 Y CA -2.462 55.279 58.100 -0.599 0.000 1.469 271 Y CB 0.949 39.282 38.460 -0.212 0.000 1.242 271 Y HN -0.063 nan 8.280 nan 0.000 0.540 272 P HA 0.098 nan 4.420 nan 0.000 0.222 272 P C -0.272 176.646 177.300 -0.637 0.000 1.147 272 P CA 1.687 64.287 63.100 -0.833 0.000 0.790 272 P CB 0.091 31.118 31.700 -1.122 0.000 0.780 273 G N -0.554 107.511 108.800 -1.226 0.000 2.525 273 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.685 273 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.685 273 G C -0.232 174.501 174.900 -0.279 0.000 1.285 273 G CA -0.371 44.396 45.100 -0.556 0.000 0.849 273 G HN -0.140 nan 8.290 nan 0.000 0.653 274 D N 0.105 120.554 120.400 0.082 0.000 2.218 274 D HA -0.048 4.592 4.640 -0.000 0.000 0.204 274 D C 2.080 178.387 176.300 0.013 0.000 0.976 274 D CA 1.300 55.398 54.000 0.163 0.000 0.853 274 D CB 0.240 41.142 40.800 0.169 0.000 0.939 274 D HN 0.500 nan 8.370 nan 0.000 0.481 275 E N -1.140 118.982 120.200 -0.130 0.000 2.482 275 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 275 E C 1.022 177.224 176.600 -0.662 0.000 1.047 275 E CA 0.258 56.400 56.400 -0.429 0.000 0.869 275 E CB -0.124 29.213 29.700 -0.606 0.000 0.836 275 E HN 0.564 nan 8.360 nan 0.000 0.520 276 W N -0.298 120.989 121.300 -0.022 0.000 2.725 276 W HA 0.195 4.855 4.660 -0.000 0.000 0.336 276 W C 0.015 176.627 176.519 0.155 0.000 1.012 276 W CA -0.082 57.275 57.345 0.020 0.000 1.566 276 W CB 1.086 30.531 29.460 -0.025 0.000 1.068 276 W HN -0.319 nan 8.180 nan 0.000 0.546 277 V N 1.250 121.347 119.914 0.305 0.000 2.638 277 V HA 0.211 4.331 4.120 -0.000 0.000 0.306 277 V C -0.046 176.282 176.094 0.389 0.000 1.052 277 V CA -0.614 61.929 62.300 0.405 0.000 0.885 277 V CB 2.250 34.282 31.823 0.350 0.000 0.999 277 V HN -0.078 nan 8.190 nan 0.000 0.424 278 D N 1.948 122.617 120.400 0.449 0.000 2.324 278 D HA 0.119 4.759 4.640 -0.000 0.000 0.212 278 D C 0.205 176.787 176.300 0.471 0.000 0.984 278 D CA 1.031 55.309 54.000 0.462 0.000 0.885 278 D CB 1.434 42.522 40.800 0.479 0.000 0.996 278 D HN 0.316 nan 8.370 nan 0.000 0.505 279 V N 2.220 122.380 119.914 0.410 0.000 2.483 279 V HA 0.296 4.415 4.120 -0.000 0.000 0.297 279 V C -0.313 175.979 176.094 0.330 0.000 1.027 279 V CA -0.642 61.842 62.300 0.306 0.000 0.855 279 V CB 2.437 34.421 31.823 0.268 0.000 0.995 279 V HN -0.030 nan 8.190 nan 0.000 0.424 280 L N 5.058 126.435 121.223 0.257 0.000 2.262 280 L HA 0.796 5.136 4.340 -0.000 0.000 0.288 280 L C 0.753 177.754 176.870 0.218 0.000 1.035 280 L CA 0.042 55.067 54.840 0.308 0.000 0.820 280 L CB 1.175 43.332 42.059 0.164 0.000 1.204 280 L HN 0.785 nan 8.230 nan 0.000 0.424 281 G N 2.352 111.322 108.800 0.283 0.000 3.140 281 G HA2 0.831 4.791 3.960 -0.000 0.000 0.271 281 G HA3 0.831 4.791 3.960 -0.000 0.000 0.271 281 G C -1.398 173.724 174.900 0.369 0.000 1.370 281 G CA -0.446 44.767 45.100 0.188 0.000 1.014 281 G HN 0.462 nan 8.290 nan 0.000 0.541 282 F N -1.880 118.099 119.950 0.048 0.000 2.741 282 F HA 0.694 5.221 4.527 -0.000 0.000 0.311 282 F C -2.093 173.702 175.800 -0.008 0.000 1.149 282 F CA -1.502 56.507 58.000 0.016 0.000 0.930 282 F CB 1.349 40.385 39.000 0.061 0.000 1.312 282 F HN 0.308 nan 8.300 nan 0.000 0.450 283 D N 0.669 121.083 120.400 0.024 0.000 2.248 283 D HA 0.590 5.230 4.640 -0.000 0.000 0.246 283 D C -1.026 175.334 176.300 0.100 0.000 1.027 283 D CA -0.111 53.867 54.000 -0.036 0.000 0.853 283 D CB 2.073 42.908 40.800 0.059 0.000 1.243 283 D HN 0.817 nan 8.370 nan 0.000 0.462 284 T N 1.282 115.840 114.554 0.006 0.000 3.105 284 T HA 0.488 4.838 4.350 -0.000 0.000 0.321 284 T C -1.917 172.844 174.700 0.101 0.000 1.135 284 T CA -0.467 61.755 62.100 0.202 0.000 1.053 284 T CB 0.186 69.219 68.868 0.275 0.000 1.133 284 T HN 0.179 nan 8.240 nan 0.000 0.463 285 Y N 1.901 122.387 120.300 0.311 0.000 2.425 285 Y HA 0.712 5.262 4.550 -0.000 0.000 0.344 285 Y C 0.741 176.548 175.900 -0.155 0.000 0.969 285 Y CA -0.341 57.815 58.100 0.094 0.000 1.052 285 Y CB 2.606 41.044 38.460 -0.036 0.000 1.215 285 Y HN 0.914 nan 8.280 nan 0.000 0.451 286 G N 2.288 110.660 108.800 -0.715 0.000 2.818 286 G HA2 0.665 4.625 3.960 -0.000 0.000 0.286 286 G HA3 0.665 4.625 3.960 -0.000 0.000 0.286 286 G C -3.179 171.282 174.900 -0.730 0.000 1.364 286 G CA -2.132 42.100 45.100 -1.448 0.000 0.938 286 G HN 0.253 nan 8.290 nan 0.000 0.490 287 P HA 0.142 nan 4.420 nan 0.000 0.274 287 P C 0.836 178.029 177.300 -0.178 0.000 1.231 287 P CA -0.288 62.670 63.100 -0.238 0.000 0.790 287 P CB 2.066 33.702 31.700 -0.107 0.000 0.951 288 V N 0.966 120.805 119.914 -0.126 0.000 2.871 288 V HA 0.107 4.227 4.120 -0.000 0.000 0.256 288 V C 0.704 176.798 176.094 0.001 0.000 1.082 288 V CA 1.687 63.938 62.300 -0.081 0.000 1.105 288 V CB -0.646 31.094 31.823 -0.138 0.000 0.713 288 V HN 0.739 nan 8.190 nan 0.000 0.473 289 A N -0.753 122.064 122.820 -0.006 0.000 2.423 289 A HA 0.623 4.942 4.320 -0.000 0.000 0.304 289 A C 0.117 177.738 177.584 0.061 0.000 1.104 289 A CA 0.237 52.288 52.037 0.024 0.000 0.757 289 A CB 1.046 20.034 19.000 -0.021 0.000 1.313 289 A HN 0.340 nan 8.150 nan 0.000 0.423 290 D N -0.071 120.380 120.400 0.085 0.000 2.697 290 D HA -0.162 4.478 4.640 -0.000 0.000 0.238 290 D C 0.242 176.638 176.300 0.159 0.000 1.152 290 D CA 1.473 55.533 54.000 0.101 0.000 0.666 290 D CB -0.945 39.891 40.800 0.060 0.000 1.037 290 D HN 0.708 nan 8.370 nan 0.000 0.423 291 N N -1.115 117.730 118.700 0.243 0.000 2.238 291 N HA 0.367 5.107 4.740 -0.000 0.000 0.222 291 N C 1.504 177.328 175.510 0.523 0.000 1.133 291 N CA 0.243 53.515 53.050 0.369 0.000 0.854 291 N CB 0.133 38.840 38.487 0.367 0.000 1.041 291 N HN 0.192 nan 8.380 nan 0.000 0.510 292 A N 0.973 124.012 122.820 0.366 0.000 1.908 292 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 292 A C 1.651 179.425 177.584 0.317 0.000 1.181 292 A CA 1.721 53.950 52.037 0.320 0.000 0.627 292 A CB -0.500 18.608 19.000 0.180 0.000 0.818 292 A HN 0.231 nan 8.150 nan 0.000 0.445 293 D N -1.672 118.903 120.400 0.293 0.000 2.117 293 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 293 D C 1.561 178.088 176.300 0.379 0.000 0.987 293 D CA 1.231 55.406 54.000 0.291 0.000 0.829 293 D CB -0.435 40.528 40.800 0.271 0.000 0.961 293 D HN 0.755 nan 8.370 nan 0.000 0.460 294 W N 0.571 122.035 121.300 0.273 0.000 2.355 294 W HA -0.187 4.473 4.660 -0.000 0.000 0.309 294 W C 1.921 178.461 176.519 0.036 0.000 1.206 294 W CA 1.135 58.609 57.345 0.215 0.000 1.284 294 W CB -0.617 28.938 29.460 0.158 0.000 1.145 294 W HN -0.164 nan 8.180 nan 0.000 0.502 295 F N 0.741 120.753 119.950 0.103 0.000 2.134 295 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 295 F C 2.606 178.272 175.800 -0.223 0.000 1.097 295 F CA 2.179 60.069 58.000 -0.182 0.000 1.264 295 F CB -0.896 38.104 39.000 -0.000 0.000 1.001 295 F HN -0.217 nan 8.300 nan 0.000 0.479 296 R N -0.105 120.446 120.500 0.086 0.000 2.120 296 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 296 R C 2.150 178.386 176.300 -0.107 0.000 1.123 296 R CA 1.328 57.433 56.100 0.008 0.000 0.975 296 R CB -0.622 29.713 30.300 0.059 0.000 0.866 296 R HN 0.359 nan 8.270 nan 0.000 0.446 297 N N 0.629 119.207 118.700 -0.203 0.000 2.270 297 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 297 N C 1.651 176.859 175.510 -0.503 0.000 1.016 297 N CA 0.900 53.714 53.050 -0.392 0.000 0.870 297 N CB 0.265 38.349 38.487 -0.671 0.000 0.979 297 N HN -0.002 nan 8.380 nan 0.000 0.431 298 V N 1.033 120.589 119.914 -0.596 0.000 2.295 298 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 298 V C 2.533 178.509 176.094 -0.196 0.000 1.049 298 V CA 1.215 63.244 62.300 -0.453 0.000 1.024 298 V CB -0.424 31.015 31.823 -0.639 0.000 0.648 298 V HN 0.121 nan 8.190 nan 0.000 0.447 299 V N 0.218 120.033 119.914 -0.165 0.000 2.358 299 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 299 V C 2.682 178.703 176.094 -0.122 0.000 1.047 299 V CA 1.902 64.148 62.300 -0.090 0.000 1.035 299 V CB -1.110 30.678 31.823 -0.059 0.000 0.658 299 V HN 0.556 nan 8.190 nan 0.000 0.452 300 A N 0.173 122.893 122.820 -0.168 0.000 1.902 300 A HA -0.231 4.088 4.320 -0.000 0.000 0.217 300 A C 2.132 179.566 177.584 -0.250 0.000 1.181 300 A CA 2.003 53.933 52.037 -0.178 0.000 0.623 300 A CB -0.660 18.240 19.000 -0.166 0.000 0.818 300 A HN 0.604 nan 8.150 nan 0.000 0.443 301 N N 0.082 118.545 118.700 -0.396 0.000 2.188 301 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 301 N C 1.977 177.179 175.510 -0.514 0.000 1.018 301 N CA 1.272 53.932 53.050 -0.651 0.000 0.858 301 N CB -0.264 37.426 38.487 -1.328 0.000 0.989 301 N HN 0.478 nan 8.380 nan 0.000 0.426 302 A N 1.260 123.958 122.820 -0.202 0.000 1.930 302 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 302 A C 2.380 179.940 177.584 -0.041 0.000 1.175 302 A CA 1.656 53.741 52.037 0.080 0.000 0.627 302 A CB -0.585 18.506 19.000 0.152 0.000 0.815 302 A HN 0.321 nan 8.150 nan 0.000 0.443 303 A N -0.419 122.346 122.820 -0.092 0.000 1.902 303 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 303 A C 2.133 179.639 177.584 -0.130 0.000 1.181 303 A CA 1.694 53.673 52.037 -0.095 0.000 0.623 303 A CB -0.604 18.339 19.000 -0.095 0.000 0.818 303 A HN 0.697 nan 8.150 nan 0.000 0.443 304 L N 0.672 121.787 121.223 -0.181 0.000 1.994 304 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 304 L C 2.553 179.263 176.870 -0.267 0.000 1.071 304 L CA 2.632 57.337 54.840 -0.225 0.000 0.745 304 L CB -0.646 41.252 42.059 -0.268 0.000 0.892 304 L HN 0.379 nan 8.230 nan 0.000 0.431 305 V N -2.189 117.560 119.914 -0.274 0.000 2.490 305 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 305 V C 2.516 178.509 176.094 -0.168 0.000 1.061 305 V CA 1.428 63.558 62.300 -0.284 0.000 1.064 305 V CB -1.965 29.770 31.823 -0.147 0.000 0.670 305 V HN 0.467 nan 8.190 nan 0.000 0.461 306 A N 0.681 123.434 122.820 -0.113 0.000 1.898 306 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 306 A C 2.458 179.988 177.584 -0.092 0.000 1.181 306 A CA 1.825 53.812 52.037 -0.083 0.000 0.620 306 A CB -0.535 18.431 19.000 -0.058 0.000 0.819 306 A HN 0.557 nan 8.150 nan 0.000 0.442 307 R N -1.159 119.275 120.500 -0.110 0.000 2.073 307 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 307 R C 2.271 178.505 176.300 -0.109 0.000 1.120 307 R CA 1.513 57.553 56.100 -0.100 0.000 0.967 307 R CB -0.373 29.865 30.300 -0.103 0.000 0.862 307 R HN 0.539 nan 8.270 nan 0.000 0.436 308 M N 0.056 119.561 119.600 -0.159 0.000 2.117 308 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 308 M C 2.515 178.748 176.300 -0.111 0.000 1.065 308 M CA 1.785 56.982 55.300 -0.173 0.000 1.114 308 M CB -0.311 32.106 32.600 -0.305 0.000 1.361 308 M HN 0.221 nan 8.290 nan 0.000 0.408 309 A N -0.055 122.707 122.820 -0.097 0.000 1.902 309 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 309 A C 1.939 179.517 177.584 -0.011 0.000 1.181 309 A CA 2.019 54.036 52.037 -0.034 0.000 0.623 309 A CB -0.616 18.363 19.000 -0.036 0.000 0.818 309 A HN 0.448 nan 8.150 nan 0.000 0.443 310 E N 0.540 120.721 120.200 -0.031 0.000 2.077 310 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 310 E C 1.943 178.540 176.600 -0.004 0.000 0.989 310 E CA 1.652 58.042 56.400 -0.017 0.000 0.800 310 E CB -0.527 29.154 29.700 -0.031 0.000 0.746 310 E HN 0.444 nan 8.360 nan 0.000 0.452 311 A N 0.314 123.123 122.820 -0.018 0.000 1.972 311 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 311 A C 2.050 179.643 177.584 0.015 0.000 1.169 311 A CA 1.590 53.622 52.037 -0.009 0.000 0.635 311 A CB -0.265 18.717 19.000 -0.029 0.000 0.810 311 A HN 0.217 nan 8.150 nan 0.000 0.446 312 R N -1.962 118.555 120.500 0.028 0.000 2.397 312 R HA 0.291 4.631 4.340 -0.000 0.000 0.241 312 R C 0.898 177.261 176.300 0.106 0.000 0.914 312 R CA 0.465 56.604 56.100 0.065 0.000 1.071 312 R CB 0.348 30.690 30.300 0.070 0.000 1.116 312 R HN 0.603 nan 8.270 nan 0.000 0.524 313 G N 2.225 111.089 108.800 0.107 0.000 2.225 313 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 313 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 313 G C -0.281 174.794 174.900 0.292 0.000 1.060 313 G CA 0.225 45.428 45.100 0.171 0.000 0.833 313 G HN 0.039 nan 8.290 nan 0.000 0.498 314 K N -0.634 119.893 120.400 0.213 0.000 2.313 314 K HA 0.723 5.043 4.320 -0.000 0.000 0.235 314 K C 0.301 176.943 176.600 0.069 0.000 1.035 314 K CA -1.192 55.247 56.287 0.253 0.000 0.868 314 K CB 1.217 33.849 32.500 0.220 0.000 1.232 314 K HN 0.063 nan 8.250 nan 0.000 0.459 315 I N 3.625 124.213 120.570 0.030 0.000 2.321 315 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 315 I C -2.235 173.860 176.117 -0.036 0.000 0.998 315 I CA -2.826 58.419 61.300 -0.092 0.000 1.227 315 I CB 0.919 38.825 38.000 -0.156 0.000 1.368 315 I HN 0.158 nan 8.210 nan 0.000 0.466 316 P HA 0.427 nan 4.420 nan 0.000 0.290 316 P C -0.770 176.434 177.300 -0.160 0.000 1.276 316 P CA -0.291 62.767 63.100 -0.070 0.000 0.808 316 P CB 2.044 33.708 31.700 -0.061 0.000 0.966 317 V N 0.801 120.593 119.914 -0.203 0.000 3.159 317 V HA 0.572 4.691 4.120 -0.000 0.000 0.308 317 V C -0.646 175.255 176.094 -0.322 0.000 1.190 317 V CA -1.221 60.818 62.300 -0.436 0.000 1.037 317 V CB 2.054 33.292 31.823 -0.974 0.000 1.060 317 V HN 0.282 nan 8.190 nan 0.000 0.437 318 I N 2.494 122.831 120.570 -0.388 0.000 2.291 318 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 318 I C 1.295 177.223 176.117 -0.315 0.000 1.050 318 I CA -0.084 60.905 61.300 -0.518 0.000 1.245 318 I CB 1.612 39.351 38.000 -0.436 0.000 1.405 318 I HN 0.796 nan 8.210 nan 0.000 0.478 319 S N 4.120 119.657 115.700 -0.271 0.000 2.406 319 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 319 S C 0.517 175.166 174.600 0.081 0.000 1.020 319 S CA 0.941 59.142 58.200 0.001 0.000 0.965 319 S CB -0.053 63.169 63.200 0.036 0.000 0.798 319 S HN 0.648 nan 8.310 nan 0.000 0.488 320 E N -0.515 119.650 120.200 -0.058 0.000 2.343 320 E HA 0.582 4.932 4.350 -0.000 0.000 0.286 320 E C -1.646 174.801 176.600 -0.254 0.000 0.915 320 E CA -0.229 56.150 56.400 -0.035 0.000 0.784 320 E CB 2.274 32.002 29.700 0.046 0.000 1.251 320 E HN 0.150 nan 8.360 nan 0.000 0.407 321 I N 1.955 122.361 120.570 -0.273 0.000 2.752 321 I HA 0.794 4.963 4.170 -0.000 0.000 0.295 321 I C -1.099 174.859 176.117 -0.266 0.000 1.219 321 I CA -0.230 60.903 61.300 -0.278 0.000 1.030 321 I CB 1.843 39.856 38.000 0.022 0.000 1.259 321 I HN 0.630 nan 8.210 nan 0.000 0.423 322 G N 6.188 114.786 108.800 -0.337 0.000 2.466 322 G HA2 0.379 4.338 3.960 -0.000 0.000 0.291 322 G HA3 0.379 4.338 3.960 -0.000 0.000 0.291 322 G C -1.424 173.434 174.900 -0.070 0.000 1.460 322 G CA -0.893 44.102 45.100 -0.175 0.000 0.791 322 G HN 0.636 nan 8.290 nan 0.000 0.505 323 I N 1.426 121.810 120.570 -0.309 0.000 2.710 323 I HA 0.115 4.285 4.170 -0.000 0.000 0.286 323 I C 1.590 177.795 176.117 0.147 0.000 1.181 323 I CA -0.294 60.851 61.300 -0.259 0.000 1.430 323 I CB 0.594 38.290 38.000 -0.506 0.000 1.367 323 I HN 0.556 nan 8.210 nan 0.000 0.577 324 R N 5.713 126.225 120.500 0.019 0.000 2.585 324 R HA 0.141 4.481 4.340 -0.000 0.000 0.275 324 R C 0.887 177.172 176.300 -0.025 0.000 1.018 324 R CA 0.175 56.305 56.100 0.051 0.000 1.072 324 R CB 0.259 30.517 30.300 -0.070 0.000 0.953 324 R HN 0.767 nan 8.270 nan 0.000 0.419 325 A N 4.997 127.814 122.820 -0.005 0.000 1.917 325 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 325 A C -0.485 177.020 177.584 -0.132 0.000 1.182 325 A CA 1.204 53.198 52.037 -0.071 0.000 0.633 325 A CB -1.340 17.680 19.000 0.034 0.000 0.819 325 A HN 0.742 nan 8.150 nan 0.000 0.448 326 P HA -0.126 nan 4.420 nan 0.000 0.218 326 P C 0.456 177.681 177.300 -0.125 0.000 1.148 326 P CA 1.511 64.546 63.100 -0.107 0.000 0.822 326 P CB -0.075 31.562 31.700 -0.105 0.000 0.784 327 D N -0.991 119.320 120.400 -0.148 0.000 2.123 327 D HA -0.061 4.578 4.640 -0.000 0.000 0.200 327 D C 1.973 178.155 176.300 -0.196 0.000 0.976 327 D CA 0.893 54.797 54.000 -0.159 0.000 0.831 327 D CB -0.693 40.006 40.800 -0.169 0.000 0.974 327 D HN 0.172 nan 8.370 nan 0.000 0.469 328 I N 1.004 121.402 120.570 -0.286 0.000 2.286 328 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 328 I C 2.060 178.030 176.117 -0.244 0.000 1.115 328 I CA 1.147 62.219 61.300 -0.380 0.000 1.392 328 I CB -0.124 37.445 38.000 -0.717 0.000 1.065 328 I HN -0.029 nan 8.210 nan 0.000 0.418 329 E N 0.624 120.716 120.200 -0.180 0.000 2.204 329 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 329 E C 2.020 178.576 176.600 -0.073 0.000 0.989 329 E CA 0.967 57.312 56.400 -0.093 0.000 0.824 329 E CB -0.090 29.576 29.700 -0.057 0.000 0.756 329 E HN 0.494 nan 8.360 nan 0.000 0.477 330 A N 0.083 122.852 122.820 -0.085 0.000 2.238 330 A HA 0.262 4.582 4.320 -0.000 0.000 0.208 330 A C 1.645 179.202 177.584 -0.046 0.000 1.177 330 A CA 0.732 52.732 52.037 -0.063 0.000 0.804 330 A CB -0.294 18.663 19.000 -0.070 0.000 0.823 330 A HN 0.312 nan 8.150 nan 0.000 0.482 331 G N -1.262 107.512 108.800 -0.044 0.000 2.141 331 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.242 331 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.242 331 G C 0.069 174.994 174.900 0.041 0.000 0.982 331 G CA 0.308 45.411 45.100 0.005 0.000 0.662 331 G HN 0.444 nan 8.290 nan 0.000 0.527 332 L N -0.238 120.965 121.223 -0.033 0.000 2.421 332 L HA 0.779 5.118 4.340 -0.000 0.000 0.263 332 L C 0.530 177.387 176.870 -0.022 0.000 1.122 332 L CA -1.271 53.525 54.840 -0.073 0.000 0.804 332 L CB 0.888 42.862 42.059 -0.142 0.000 1.150 332 L HN 0.386 nan 8.230 nan 0.000 0.457 333 Y N -1.336 118.909 120.300 -0.092 0.000 2.581 333 Y HA 0.568 5.118 4.550 -0.000 0.000 0.337 333 Y C -1.456 174.432 175.900 -0.019 0.000 1.108 333 Y CA -1.564 56.483 58.100 -0.089 0.000 1.033 333 Y CB 1.385 39.813 38.460 -0.053 0.000 1.318 333 Y HN 0.391 nan 8.280 nan 0.000 0.459 334 D N 2.180 122.673 120.400 0.155 0.000 2.462 334 D HA 0.176 4.816 4.640 -0.000 0.000 0.245 334 D C -0.366 176.143 176.300 0.349 0.000 1.122 334 D CA -0.606 53.525 54.000 0.218 0.000 0.864 334 D CB 0.598 41.565 40.800 0.277 0.000 1.098 334 D HN 0.750 nan 8.370 nan 0.000 0.541 335 N N 2.316 121.238 118.700 0.371 0.000 2.434 335 N HA -0.059 4.681 4.740 -0.000 0.000 0.196 335 N C 0.405 176.080 175.510 0.275 0.000 1.183 335 N CA 0.371 53.615 53.050 0.324 0.000 0.849 335 N CB 0.102 38.760 38.487 0.284 0.000 0.992 335 N HN 0.455 nan 8.380 nan 0.000 0.460 336 Q N -1.742 118.224 119.800 0.276 0.000 2.171 336 Q HA 0.113 4.452 4.340 -0.000 0.000 0.218 336 Q C 0.342 176.498 176.000 0.260 0.000 0.822 336 Q CA -0.508 55.428 55.803 0.222 0.000 0.987 336 Q CB 0.032 28.847 28.738 0.129 0.000 1.144 336 Q HN 0.413 nan 8.270 nan 0.000 0.494 337 W N 0.422 121.835 121.300 0.189 0.000 2.333 337 W HA -0.255 4.404 4.660 -0.000 0.000 0.316 337 W C 1.231 177.852 176.519 0.170 0.000 1.215 337 W CA 1.818 59.292 57.345 0.216 0.000 1.278 337 W CB -0.163 29.389 29.460 0.153 0.000 1.154 337 W HN 0.167 nan 8.180 nan 0.000 0.486 338 Y N -0.038 120.532 120.300 0.451 0.000 2.242 338 Y HA -0.167 4.383 4.550 -0.000 0.000 0.291 338 Y C 2.607 178.632 175.900 0.207 0.000 1.137 338 Y CA 2.119 60.356 58.100 0.229 0.000 1.181 338 Y CB -0.751 37.799 38.460 0.149 0.000 0.989 338 Y HN -0.124 nan 8.280 nan 0.000 0.527 339 R N 0.159 120.845 120.500 0.310 0.000 2.092 339 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 339 R C 2.121 178.426 176.300 0.009 0.000 1.119 339 R CA 1.363 57.573 56.100 0.183 0.000 0.970 339 R CB -0.169 30.213 30.300 0.137 0.000 0.864 339 R HN 0.299 nan 8.270 nan 0.000 0.440 340 K N 0.375 120.672 120.400 -0.172 0.000 2.057 340 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 340 K C 2.017 178.318 176.600 -0.499 0.000 1.049 340 K CA 0.992 56.981 56.287 -0.498 0.000 0.931 340 K CB -0.216 31.681 32.500 -1.005 0.000 0.714 340 K HN 0.031 nan 8.250 nan 0.000 0.440 341 L N 1.344 122.369 121.223 -0.331 0.000 1.994 341 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 341 L C 2.116 179.039 176.870 0.089 0.000 1.071 341 L CA 1.462 56.271 54.840 -0.051 0.000 0.745 341 L CB -0.483 41.503 42.059 -0.121 0.000 0.892 341 L HN 0.074 nan 8.230 nan 0.000 0.431 342 I N -1.319 119.384 120.570 0.222 0.000 2.353 342 I HA -0.193 3.976 4.170 -0.000 0.000 0.248 342 I C 2.660 178.824 176.117 0.079 0.000 1.119 342 I CA 1.605 63.044 61.300 0.233 0.000 1.417 342 I CB -0.449 37.715 38.000 0.274 0.000 1.078 342 I HN 0.446 nan 8.210 nan 0.000 0.421 343 S N 0.164 115.874 115.700 0.017 0.000 2.356 343 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 343 S C 2.257 176.821 174.600 -0.060 0.000 1.032 343 S CA 1.540 59.715 58.200 -0.041 0.000 1.005 343 S CB -1.071 62.089 63.200 -0.067 0.000 0.867 343 S HN 0.589 nan 8.310 nan 0.000 0.449 344 G N 1.402 110.160 108.800 -0.071 0.000 2.421 344 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.216 344 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.216 344 G C 1.475 176.359 174.900 -0.027 0.000 1.171 344 G CA 0.898 45.964 45.100 -0.056 0.000 0.775 344 G HN 0.515 nan 8.290 nan 0.000 0.543 345 L N 0.846 122.076 121.223 0.011 0.000 2.056 345 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 345 L C 2.960 179.825 176.870 -0.009 0.000 1.078 345 L CA 1.794 56.655 54.840 0.034 0.000 0.749 345 L CB -0.280 41.844 42.059 0.108 0.000 0.901 345 L HN 0.373 nan 8.230 nan 0.000 0.433 346 K N 0.249 120.616 120.400 -0.055 0.000 2.296 346 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 346 K C 1.920 178.376 176.600 -0.240 0.000 1.048 346 K CA 0.970 57.111 56.287 -0.243 0.000 0.966 346 K CB -0.103 32.149 32.500 -0.414 0.000 0.754 346 K HN 0.153 nan 8.250 nan 0.000 0.466 347 A N 1.667 124.400 122.820 -0.145 0.000 2.014 347 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 347 A C 0.833 178.355 177.584 -0.104 0.000 1.163 347 A CA 0.859 52.822 52.037 -0.123 0.000 0.652 347 A CB -0.282 18.663 19.000 -0.091 0.000 0.808 347 A HN 0.466 nan 8.150 nan 0.000 0.449 348 D N -0.101 120.247 120.400 -0.087 0.000 2.277 348 D HA 0.170 4.810 4.640 -0.000 0.000 0.249 348 D C -1.676 174.580 176.300 -0.074 0.000 1.134 348 D CA -1.688 52.270 54.000 -0.069 0.000 0.863 348 D CB 1.480 42.248 40.800 -0.053 0.000 1.143 348 D HN 0.069 nan 8.370 nan 0.000 0.458 349 P HA -0.089 nan 4.420 nan 0.000 0.222 349 P C 0.404 177.671 177.300 -0.055 0.000 1.147 349 P CA 0.862 63.920 63.100 -0.069 0.000 0.790 349 P CB 0.712 32.375 31.700 -0.062 0.000 0.780 350 D N -0.053 120.317 120.400 -0.051 0.000 2.269 350 D HA 0.057 4.697 4.640 -0.000 0.000 0.220 350 D C 2.155 178.437 176.300 -0.032 0.000 0.962 350 D CA 0.940 54.911 54.000 -0.047 0.000 0.884 350 D CB -0.672 40.092 40.800 -0.060 0.000 1.023 350 D HN 0.034 nan 8.370 nan 0.000 0.484 351 A N 2.117 124.920 122.820 -0.027 0.000 1.978 351 A HA -0.220 4.099 4.320 -0.000 0.000 0.220 351 A C 2.125 179.733 177.584 0.040 0.000 1.170 351 A CA 1.662 53.699 52.037 0.001 0.000 0.636 351 A CB -0.721 18.276 19.000 -0.004 0.000 0.810 351 A HN 0.312 nan 8.150 nan 0.000 0.448 352 R N 0.090 120.613 120.500 0.039 0.000 2.241 352 R HA -0.082 4.258 4.340 -0.000 0.000 0.224 352 R C 0.978 177.392 176.300 0.191 0.000 1.101 352 R CA 1.572 57.753 56.100 0.136 0.000 0.995 352 R CB -0.475 29.826 30.300 0.002 0.000 0.870 352 R HN 0.578 nan 8.270 nan 0.000 0.463 353 E N 1.809 122.052 120.200 0.071 0.000 2.502 353 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 353 E C 0.601 177.195 176.600 -0.010 0.000 1.062 353 E CA -0.032 56.383 56.400 0.024 0.000 0.867 353 E CB -0.074 29.615 29.700 -0.018 0.000 0.888 353 E HN 0.559 nan 8.360 nan 0.000 0.510 354 I N -2.175 118.398 120.570 0.005 0.000 2.754 354 I HA 0.112 4.282 4.170 -0.000 0.000 0.285 354 I C 1.219 177.301 176.117 -0.058 0.000 1.166 354 I CA -0.281 60.993 61.300 -0.043 0.000 1.417 354 I CB 1.048 39.027 38.000 -0.035 0.000 1.382 354 I HN -0.218 nan 8.210 nan 0.000 0.588 355 A N 5.504 128.258 122.820 -0.109 0.000 1.898 355 A HA 0.217 4.537 4.320 -0.000 0.000 0.214 355 A C 0.639 178.287 177.584 0.106 0.000 1.183 355 A CA 1.057 53.074 52.037 -0.033 0.000 0.622 355 A CB -0.403 18.593 19.000 -0.006 0.000 0.824 355 A HN 0.892 nan 8.150 nan 0.000 0.444 356 F N -2.552 117.404 119.950 0.010 0.000 2.686 356 F HA 0.666 5.192 4.527 -0.000 0.000 0.311 356 F C -1.356 174.463 175.800 0.033 0.000 1.128 356 F CA -2.218 55.797 58.000 0.025 0.000 0.946 356 F CB 0.937 39.947 39.000 0.016 0.000 1.336 356 F HN 0.134 nan 8.300 nan 0.000 0.457 357 L N 1.479 122.935 121.223 0.390 0.000 2.370 357 L HA 0.899 5.239 4.340 -0.000 0.000 0.266 357 L C -1.800 175.251 176.870 0.301 0.000 1.002 357 L CA -1.040 53.978 54.840 0.296 0.000 0.818 357 L CB 1.995 44.204 42.059 0.250 0.000 1.325 357 L HN 1.010 nan 8.230 nan 0.000 0.418 358 L N 3.624 124.977 121.223 0.217 0.000 2.386 358 L HA 0.904 5.244 4.340 -0.000 0.000 0.271 358 L C -0.689 176.242 176.870 0.102 0.000 0.993 358 L CA -0.804 54.074 54.840 0.065 0.000 0.819 358 L CB 2.068 44.192 42.059 0.109 0.000 1.294 358 L HN 0.817 nan 8.230 nan 0.000 0.414 359 V N 1.523 121.494 119.914 0.095 0.000 2.881 359 V HA 0.542 4.662 4.120 -0.000 0.000 0.316 359 V C -0.161 176.064 176.094 0.220 0.000 1.070 359 V CA -0.674 61.725 62.300 0.166 0.000 0.976 359 V CB 1.723 33.758 31.823 0.354 0.000 1.038 359 V HN 0.950 nan 8.190 nan 0.000 0.446 360 W N 2.702 123.834 121.300 -0.280 0.000 1.916 360 W HA 0.440 5.100 4.660 -0.000 0.000 0.403 360 W C 0.807 177.438 176.519 0.186 0.000 1.711 360 W CA -0.634 56.556 57.345 -0.259 0.000 1.879 360 W CB 1.202 30.169 29.460 -0.822 0.000 1.359 360 W HN 0.916 nan 8.180 nan 0.000 0.718 361 R N 2.204 122.598 120.500 -0.176 0.000 2.641 361 R HA 0.125 4.465 4.340 -0.000 0.000 0.269 361 R C -0.851 175.731 176.300 0.469 0.000 1.074 361 R CA -0.210 55.879 56.100 -0.019 0.000 1.133 361 R CB 0.165 30.346 30.300 -0.198 0.000 1.029 361 R HN 0.245 nan 8.270 nan 0.000 0.488 362 N N 1.036 119.960 118.700 0.373 0.000 2.767 362 N HA 0.194 4.934 4.740 -0.000 0.000 0.238 362 N C -0.936 174.704 175.510 0.216 0.000 1.083 362 N CA -0.130 53.150 53.050 0.383 0.000 0.964 362 N CB 1.586 40.289 38.487 0.359 0.000 1.252 362 N HN 0.724 nan 8.380 nan 0.000 0.512 363 A N 3.170 126.143 122.820 0.254 0.000 2.522 363 A HA 0.196 4.515 4.320 -0.000 0.000 0.256 363 A C -0.918 176.703 177.584 0.062 0.000 1.086 363 A CA -0.795 51.323 52.037 0.135 0.000 0.763 363 A CB 0.306 19.409 19.000 0.171 0.000 1.024 363 A HN 0.417 nan 8.150 nan 0.000 0.502 364 P HA -0.148 nan 4.420 nan 0.000 0.218 364 P C 0.397 177.682 177.300 -0.025 0.000 1.149 364 P CA 1.390 64.485 63.100 -0.008 0.000 0.817 364 P CB 0.293 31.989 31.700 -0.006 0.000 0.785 365 Q N -0.571 119.217 119.800 -0.021 0.000 2.141 365 Q HA 0.353 4.692 4.340 -0.000 0.000 0.248 365 Q C 0.954 176.940 176.000 -0.023 0.000 0.834 365 Q CA 0.162 55.948 55.803 -0.028 0.000 1.096 365 Q CB 1.091 29.809 28.738 -0.033 0.000 1.189 365 Q HN 0.156 nan 8.270 nan 0.000 0.471 366 G N 1.476 110.278 108.800 0.004 0.000 2.575 366 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.267 366 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.267 366 G C -0.069 174.803 174.900 -0.048 0.000 1.264 366 G CA -0.027 45.088 45.100 0.024 0.000 0.935 366 G HN 0.586 nan 8.290 nan 0.000 0.568 367 V N -3.646 116.217 119.914 -0.085 0.000 3.001 367 V HA 0.830 4.950 4.120 -0.000 0.000 0.314 367 V C -2.637 173.375 176.094 -0.136 0.000 1.099 367 V CA -2.188 60.008 62.300 -0.173 0.000 0.989 367 V CB 1.997 33.636 31.823 -0.307 0.000 1.040 367 V HN 0.759 nan 8.190 nan 0.000 0.434 368 P HA 0.261 nan 4.420 nan 0.000 0.263 368 P C 0.441 177.669 177.300 -0.120 0.000 1.195 368 P CA 0.860 63.881 63.100 -0.132 0.000 0.762 368 P CB 0.363 31.970 31.700 -0.155 0.000 0.799 375 V N -1.823 118.072 119.914 -0.031 0.000 2.914 375 V HA 0.832 4.952 4.120 -0.000 0.000 0.314 375 V C -2.698 173.407 176.094 0.017 0.000 1.084 375 V CA -2.601 59.690 62.300 -0.015 0.000 0.963 375 V CB 1.894 33.700 31.823 -0.028 0.000 1.025 375 V HN 0.492 nan 8.190 nan 0.000 0.432 376 P HA 0.353 nan 4.420 nan 0.000 0.271 376 P C -1.029 176.336 177.300 0.108 0.000 1.218 376 P CA 0.516 63.688 63.100 0.120 0.000 0.780 376 P CB 0.072 31.878 31.700 0.177 0.000 0.901 377 H N 1.717 120.816 119.070 0.048 0.000 2.809 377 H HA 0.427 4.983 4.556 -0.000 0.000 0.268 377 H C -1.548 173.800 175.328 0.033 0.000 1.403 377 H CA -0.487 55.503 56.048 -0.096 0.000 1.564 377 H CB -0.136 29.639 29.762 0.022 0.000 1.834 377 H HN 0.401 nan 8.280 nan 0.000 0.613 378 Y N 0.798 120.797 120.300 -0.502 0.000 2.641 378 Y HA 0.329 4.879 4.550 -0.000 0.000 0.333 378 Y C -1.188 174.459 175.900 -0.422 0.000 1.174 378 Y CA -1.271 56.729 58.100 -0.167 0.000 1.057 378 Y CB 0.705 39.144 38.460 -0.034 0.000 1.322 378 Y HN 0.347 nan 8.280 nan 0.000 0.457 379 W N 0.620 121.948 121.300 0.047 0.000 2.942 379 W HA 0.345 5.005 4.660 -0.000 0.000 0.260 379 W C -0.782 175.737 176.519 -0.001 0.000 1.101 379 W CA -0.020 57.281 57.345 -0.073 0.000 1.436 379 W CB 1.231 30.716 29.460 0.042 0.000 0.883 379 W HN 0.284 nan 8.180 nan 0.000 0.646 380 V N 3.504 123.512 119.914 0.158 0.000 2.408 380 V HA 0.161 4.280 4.120 -0.000 0.000 0.267 380 V C -2.014 173.991 176.094 -0.148 0.000 1.047 380 V CA -1.422 60.709 62.300 -0.281 0.000 0.937 380 V CB 0.720 32.213 31.823 -0.550 0.000 0.999 380 V HN -0.298 nan 8.190 nan 0.000 0.472 381 P HA 0.149 nan 4.420 nan 0.000 0.263 381 P C -0.299 176.935 177.300 -0.111 0.000 1.195 381 P CA 0.361 63.440 63.100 -0.035 0.000 0.762 381 P CB 0.518 32.200 31.700 -0.030 0.000 0.799 382 A N 3.598 126.376 122.820 -0.071 0.000 2.293 382 A HA 0.299 4.619 4.320 -0.000 0.000 0.302 382 A C 0.509 178.049 177.584 -0.074 0.000 1.119 382 A CA -0.460 51.516 52.037 -0.102 0.000 0.823 382 A CB 0.107 19.006 19.000 -0.168 0.000 1.097 382 A HN 0.453 nan 8.150 nan 0.000 0.491 383 N N 1.361 120.026 118.700 -0.058 0.000 2.549 383 N HA 0.159 4.899 4.740 -0.000 0.000 0.267 383 N C -0.205 175.274 175.510 -0.051 0.000 1.182 383 N CA 0.058 53.080 53.050 -0.047 0.000 1.019 383 N CB -0.633 37.831 38.487 -0.039 0.000 1.380 383 N HN 0.712 nan 8.380 nan 0.000 0.505 384 R N 1.608 122.072 120.500 -0.059 0.000 2.716 384 R HA 0.430 4.770 4.340 -0.000 0.000 0.271 384 R C -2.469 173.795 176.300 -0.059 0.000 1.028 384 R CA -1.210 54.852 56.100 -0.062 0.000 0.883 384 R CB 0.463 30.712 30.300 -0.085 0.000 1.250 384 R HN -0.098 nan 8.270 nan 0.000 0.465 385 P HA -0.252 nan 4.420 nan 0.000 0.216 385 P C 0.877 178.141 177.300 -0.059 0.000 1.154 385 P CA 1.681 64.752 63.100 -0.049 0.000 0.865 385 P CB 0.164 31.840 31.700 -0.042 0.000 0.789 386 E N -0.542 119.617 120.200 -0.068 0.000 2.077 386 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 386 E C 1.406 177.947 176.600 -0.099 0.000 0.989 386 E CA 1.530 57.883 56.400 -0.078 0.000 0.800 386 E CB -0.345 29.313 29.700 -0.070 0.000 0.746 386 E HN 0.264 nan 8.360 nan 0.000 0.452 387 N N -0.424 118.229 118.700 -0.077 0.000 2.416 387 N HA 0.041 4.780 4.740 -0.000 0.000 0.177 387 N C 1.571 177.044 175.510 -0.061 0.000 1.036 387 N CA 0.501 53.512 53.050 -0.065 0.000 0.901 387 N CB 0.161 38.635 38.487 -0.022 0.000 0.976 387 N HN 0.173 nan 8.380 nan 0.000 0.444 388 I N 0.762 121.299 120.570 -0.055 0.000 2.202 388 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 388 I C 1.498 177.585 176.117 -0.051 0.000 1.091 388 I CA 0.923 62.198 61.300 -0.041 0.000 1.368 388 I CB -0.166 37.813 38.000 -0.035 0.000 1.058 388 I HN 0.161 nan 8.210 nan 0.000 0.410 389 N N 1.301 119.959 118.700 -0.069 0.000 2.216 389 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 389 N C 1.416 176.860 175.510 -0.109 0.000 1.017 389 N CA 1.364 54.372 53.050 -0.070 0.000 0.861 389 N CB -0.669 37.780 38.487 -0.063 0.000 0.986 389 N HN 0.489 nan 8.380 nan 0.000 0.428 390 N N -0.333 118.237 118.700 -0.217 0.000 2.398 390 N HA 0.067 4.807 4.740 -0.000 0.000 0.188 390 N C 1.048 176.414 175.510 -0.241 0.000 1.122 390 N CA 0.905 53.701 53.050 -0.423 0.000 0.866 390 N CB -0.075 37.767 38.487 -1.076 0.000 0.970 390 N HN 0.200 nan 8.380 nan 0.000 0.462 391 G N -0.664 108.077 108.800 -0.097 0.000 2.176 391 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 391 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 391 G C 0.995 175.927 174.900 0.053 0.000 0.979 391 G CA 0.915 46.019 45.100 0.007 0.000 0.641 391 G HN 0.613 nan 8.290 nan 0.000 0.530 392 T N -1.372 113.195 114.554 0.021 0.000 2.942 392 T HA 0.158 4.507 4.350 -0.000 0.000 0.265 392 T C 2.306 177.081 174.700 0.125 0.000 1.062 392 T CA 1.594 63.760 62.100 0.110 0.000 1.139 392 T CB -0.039 68.881 68.868 0.086 0.000 0.883 392 T HN 0.753 nan 8.240 nan 0.000 0.468 393 L N 1.847 123.110 121.223 0.066 0.000 2.017 393 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 393 L C 2.619 179.546 176.870 0.096 0.000 1.073 393 L CA 2.101 56.984 54.840 0.071 0.000 0.745 393 L CB -0.924 41.148 42.059 0.020 0.000 0.894 393 L HN 0.420 nan 8.230 nan 0.000 0.432 394 E N -0.767 119.476 120.200 0.072 0.000 2.097 394 E HA -0.331 4.018 4.350 -0.000 0.000 0.196 394 E C 1.863 178.527 176.600 0.108 0.000 1.000 394 E CA 1.691 58.132 56.400 0.069 0.000 0.804 394 E CB -0.216 29.518 29.700 0.056 0.000 0.740 394 E HN 0.691 nan 8.360 nan 0.000 0.454 395 D N -0.572 119.925 120.400 0.161 0.000 2.104 395 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 395 D C 1.751 178.199 176.300 0.246 0.000 0.994 395 D CA 1.229 55.368 54.000 0.233 0.000 0.830 395 D CB -0.342 40.647 40.800 0.316 0.000 0.959 395 D HN 0.259 nan 8.370 nan 0.000 0.452 396 F N 0.884 120.842 119.950 0.013 0.000 2.186 396 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 396 F C 2.325 178.109 175.800 -0.027 0.000 1.090 396 F CA 1.221 59.111 58.000 -0.183 0.000 1.307 396 F CB -0.265 38.508 39.000 -0.379 0.000 1.019 396 F HN 0.006 nan 8.300 nan 0.000 0.489 397 Q N -0.278 119.514 119.800 -0.013 0.000 2.167 397 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 397 Q C 2.413 178.391 176.000 -0.037 0.000 0.970 397 Q CA 1.279 57.033 55.803 -0.081 0.000 0.855 397 Q CB -0.389 28.327 28.738 -0.037 0.000 0.911 397 Q HN 0.505 nan 8.270 nan 0.000 0.438 398 A N 0.375 123.207 122.820 0.019 0.000 1.930 398 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 398 A C 1.820 179.428 177.584 0.040 0.000 1.175 398 A CA 0.873 52.932 52.037 0.036 0.000 0.627 398 A CB -0.685 18.362 19.000 0.078 0.000 0.815 398 A HN 0.468 nan 8.150 nan 0.000 0.443 399 F N -0.786 119.102 119.950 -0.104 0.000 2.134 399 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 399 F C 2.126 177.817 175.800 -0.181 0.000 1.097 399 F CA 2.052 59.992 58.000 -0.100 0.000 1.264 399 F CB -0.466 38.473 39.000 -0.101 0.000 1.001 399 F HN 0.376 nan 8.300 nan 0.000 0.479 400 Y N 0.892 120.947 120.300 -0.408 0.000 2.181 400 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 400 Y C 2.306 177.949 175.900 -0.428 0.000 1.146 400 Y CA 1.608 59.312 58.100 -0.659 0.000 1.164 400 Y CB -0.902 37.014 38.460 -0.908 0.000 0.982 400 Y HN 0.090 nan 8.280 nan 0.000 0.515 401 A N -0.183 122.467 122.820 -0.284 0.000 2.015 401 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 401 A C 1.095 178.524 177.584 -0.259 0.000 1.163 401 A CA 0.873 52.753 52.037 -0.262 0.000 0.646 401 A CB -0.845 18.098 19.000 -0.096 0.000 0.806 401 A HN 0.530 nan 8.150 nan 0.000 0.448 402 D N 0.260 120.522 120.400 -0.229 0.000 2.533 402 D HA -0.033 4.606 4.640 -0.000 0.000 0.236 402 D C 0.497 176.702 176.300 -0.158 0.000 1.137 402 D CA 0.307 54.211 54.000 -0.160 0.000 0.867 402 D CB 0.479 41.185 40.800 -0.156 0.000 1.170 402 D HN 0.470 nan 8.370 nan 0.000 0.474 403 E N 2.519 122.675 120.200 -0.074 0.000 2.409 403 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 403 E C 1.058 177.685 176.600 0.045 0.000 1.024 403 E CA 0.366 56.742 56.400 -0.039 0.000 0.861 403 E CB 0.084 29.780 29.700 -0.007 0.000 0.788 403 E HN 0.491 nan 8.360 nan 0.000 0.521 404 F N 1.294 121.174 119.950 -0.117 0.000 2.754 404 F HA 0.016 4.543 4.527 -0.000 0.000 0.297 404 F C 1.005 176.750 175.800 -0.092 0.000 1.122 404 F CA 0.367 58.318 58.000 -0.082 0.000 1.400 404 F CB 0.348 39.306 39.000 -0.070 0.000 1.117 404 F HN -0.240 nan 8.300 nan 0.000 0.587 405 T N -0.214 114.266 114.554 -0.123 0.000 2.889 405 T HA 0.689 5.038 4.350 -0.000 0.000 0.291 405 T C -0.186 174.495 174.700 -0.032 0.000 0.995 405 T CA -0.406 61.594 62.100 -0.166 0.000 1.092 405 T CB 1.700 70.351 68.868 -0.362 0.000 0.954 405 T HN 0.205 nan 8.240 nan 0.000 0.506 406 A N 2.775 125.622 122.820 0.045 0.000 2.319 406 A HA 0.735 5.055 4.320 -0.000 0.000 0.310 406 A C -0.869 176.841 177.584 0.210 0.000 1.152 406 A CA -0.840 51.275 52.037 0.131 0.000 0.783 406 A CB 0.441 19.474 19.000 0.055 0.000 1.184 406 A HN 0.697 nan 8.150 nan 0.000 0.474 407 F N 0.413 120.441 119.950 0.130 0.000 2.535 407 F HA 0.409 4.936 4.527 -0.000 0.000 0.367 407 F C 1.787 177.728 175.800 0.235 0.000 1.096 407 F CA -0.680 57.472 58.000 0.253 0.000 1.088 407 F CB 0.985 40.195 39.000 0.350 0.000 1.387 407 F HN 0.747 nan 8.300 nan 0.000 0.494 408 N N -0.265 118.719 118.700 0.472 0.000 2.166 408 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 408 N C 1.642 177.329 175.510 0.294 0.000 1.019 408 N CA 0.933 54.206 53.050 0.371 0.000 0.856 408 N CB 0.043 38.820 38.487 0.484 0.000 0.993 408 N HN 0.364 nan 8.380 nan 0.000 0.426 409 R N 0.092 120.778 120.500 0.310 0.000 2.280 409 R HA -0.026 4.313 4.340 -0.000 0.000 0.207 409 R C 0.514 176.913 176.300 0.164 0.000 1.043 409 R CA 0.708 56.939 56.100 0.219 0.000 1.006 409 R CB 0.109 30.537 30.300 0.212 0.000 0.885 409 R HN 0.383 nan 8.270 nan 0.000 0.467 410 D N 0.904 121.412 120.400 0.180 0.000 2.347 410 D HA 0.001 4.641 4.640 -0.000 0.000 0.213 410 D C 0.815 177.199 176.300 0.139 0.000 0.985 410 D CA 0.569 54.649 54.000 0.133 0.000 0.879 410 D CB 0.259 41.136 40.800 0.128 0.000 0.919 410 D HN 0.327 nan 8.370 nan 0.000 0.526 411 I N -1.213 119.445 120.570 0.145 0.000 2.378 411 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 411 I C -0.613 175.514 176.117 0.015 0.000 0.992 411 I CA -0.672 60.711 61.300 0.139 0.000 1.154 411 I CB 1.828 39.895 38.000 0.110 0.000 1.315 411 I HN -0.341 nan 8.210 nan 0.000 0.448 412 E N 4.541 124.753 120.200 0.020 0.000 2.314 412 E HA 0.320 4.669 4.350 -0.000 0.000 0.272 412 E C -1.202 175.360 176.600 -0.063 0.000 0.884 412 E CA -0.872 55.517 56.400 -0.018 0.000 0.753 412 E CB 2.042 31.766 29.700 0.040 0.000 1.213 412 E HN 0.675 nan 8.360 nan 0.000 0.432 413 Q N 0.160 119.909 119.800 -0.085 0.000 2.453 413 Q HA -0.201 4.139 4.340 -0.000 0.000 0.294 413 Q C 0.758 176.660 176.000 -0.163 0.000 1.295 413 Q CA 0.116 55.882 55.803 -0.062 0.000 0.853 413 Q CB -1.621 27.126 28.738 0.015 0.000 1.193 413 Q HN 0.440 nan 8.270 nan 0.000 0.461 414 V N -1.280 118.357 119.914 -0.461 0.000 2.490 414 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 414 V C 1.127 176.875 176.094 -0.577 0.000 1.061 414 V CA 2.204 63.954 62.300 -0.917 0.000 1.064 414 V CB -0.316 30.651 31.823 -1.427 0.000 0.670 414 V HN 0.502 nan 8.190 nan 0.000 0.461 415 Y N -1.272 118.985 120.300 -0.071 0.000 2.481 415 Y HA 0.315 4.864 4.550 -0.000 0.000 0.247 415 Y C 1.827 177.753 175.900 0.043 0.000 1.151 415 Y CA -0.220 57.895 58.100 0.024 0.000 1.238 415 Y CB 0.334 38.815 38.460 0.036 0.000 1.179 415 Y HN 0.229 nan 8.280 nan 0.000 0.524 416 Q N 0.390 120.266 119.800 0.127 0.000 2.157 416 Q HA 0.225 4.565 4.340 -0.000 0.000 0.229 416 Q C -0.204 175.848 176.000 0.087 0.000 0.827 416 Q CA -0.145 55.719 55.803 0.102 0.000 1.055 416 Q CB 0.640 29.421 28.738 0.072 0.000 1.157 416 Q HN 0.304 nan 8.270 nan 0.000 0.482 417 R N 2.374 122.934 120.500 0.100 0.000 2.340 417 R HA 0.237 4.577 4.340 -0.000 0.000 0.300 417 R C -2.287 174.071 176.300 0.096 0.000 1.069 417 R CA -1.508 54.652 56.100 0.100 0.000 0.984 417 R CB 0.193 30.568 30.300 0.125 0.000 1.003 417 R HN -0.004 nan 8.270 nan 0.000 0.459 418 P HA 0.067 nan 4.420 nan 0.000 0.275 418 P C -0.718 176.628 177.300 0.076 0.000 1.227 418 P CA -0.245 62.897 63.100 0.070 0.000 0.781 418 P CB 1.376 33.109 31.700 0.055 0.000 0.906 419 T N 0.092 114.690 114.554 0.073 0.000 2.896 419 T HA 0.730 5.080 4.350 -0.000 0.000 0.297 419 T C -0.485 174.248 174.700 0.054 0.000 1.108 419 T CA -0.851 61.293 62.100 0.074 0.000 1.004 419 T CB 0.967 69.892 68.868 0.094 0.000 1.159 419 T HN 0.183 nan 8.240 nan 0.000 0.499 420 L N 1.860 123.112 121.223 0.048 0.000 2.319 420 L HA 0.734 5.073 4.340 -0.000 0.000 0.267 420 L C 0.194 177.079 176.870 0.024 0.000 1.011 420 L CA -1.509 53.351 54.840 0.033 0.000 0.818 420 L CB 1.807 43.884 42.059 0.030 0.000 1.316 420 L HN 0.813 nan 8.230 nan 0.000 0.432 421 I N 0.000 120.577 120.570 0.011 0.000 2.984 421 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 421 I CA 0.000 61.298 61.300 -0.004 0.000 1.566 421 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 421 I HN 0.000 nan 8.210 nan 0.000 0.494