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 3cij_1_B DATA FIRST_RESID 33 DATA SEQUENCE VKLKVFHAGS LTEPMKAFKR AFEEKHPNVE VQTEAAGSAA TIRKVTELGR DATA SEQUENCE KADVIATADY TLIQKMMYPE FANWTIMFAK NQIVLAYRND SRYADEINSQ DATA SEQUENCE NWYEILKRPD VRFGFSNPND DPCGYRSLMA IQLAELYYND PTIFDELVAK DATA SEQUENCE NSNLRFSEDN GSYVLRMPSS ERIEINKSKI MIRSMEMELI HLVESGELDY DATA SEQUENCE FFIYKSVAKQ HGFNFVELPV EIDLSSPDYA ELYSKVKVVL ANGKEVTGKP DATA SEQUENCE IVYGITIPKN AENRELAVEF VKLVISEEGQ EILRELGQEP L 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.122 176.094 0.046 0.000 1.182 33 V CA 0.000 62.325 62.300 0.042 0.000 1.235 33 V CB 0.000 31.852 31.823 0.047 0.000 1.184 34 K N 4.233 124.650 120.400 0.028 0.000 2.265 34 K HA 0.645 4.965 4.320 -0.000 0.000 0.267 34 K C -0.976 175.614 176.600 -0.017 0.000 0.994 34 K CA -0.719 55.579 56.287 0.019 0.000 0.860 34 K CB 2.776 35.288 32.500 0.020 0.000 1.099 34 K HN 0.488 nan 8.250 nan 0.000 0.448 35 L N 2.961 124.158 121.223 -0.042 0.000 2.257 35 L HA 0.261 4.601 4.340 -0.000 0.000 0.290 35 L C -0.634 176.117 176.870 -0.198 0.000 1.044 35 L CA -0.086 54.670 54.840 -0.140 0.000 0.810 35 L CB 0.573 42.508 42.059 -0.207 0.000 1.193 35 L HN 0.406 nan 8.230 nan 0.000 0.425 36 K N 4.178 124.438 120.400 -0.234 0.000 2.253 36 K HA 0.562 4.882 4.320 -0.000 0.000 0.277 36 K C -1.287 175.061 176.600 -0.419 0.000 1.053 36 K CA -0.466 55.666 56.287 -0.257 0.000 0.892 36 K CB 1.490 33.813 32.500 -0.295 0.000 1.102 36 K HN 0.399 nan 8.250 nan 0.000 0.469 37 V N 5.378 125.146 119.914 -0.244 0.000 2.376 37 V HA 0.371 4.492 4.120 -0.000 0.000 0.287 37 V C -1.007 175.215 176.094 0.212 0.000 1.015 37 V CA -0.870 61.316 62.300 -0.190 0.000 0.834 37 V CB 0.442 32.072 31.823 -0.323 0.000 1.001 37 V HN 0.532 nan 8.190 nan 0.000 0.428 38 F N 4.743 124.696 119.950 0.006 0.000 2.427 38 F HA 0.729 5.256 4.527 -0.000 0.000 0.346 38 F C 0.343 176.177 175.800 0.057 0.000 1.120 38 F CA -1.255 56.733 58.000 -0.021 0.000 1.033 38 F CB 1.015 39.980 39.000 -0.058 0.000 1.126 38 F HN 0.795 nan 8.300 nan 0.000 0.462 39 H N -0.411 118.792 119.070 0.222 0.000 3.012 39 H HA 0.793 5.349 4.556 -0.000 0.000 0.367 39 H C -0.747 174.667 175.328 0.143 0.000 1.211 39 H CA -1.514 54.646 56.048 0.187 0.000 1.139 39 H CB 0.745 30.643 29.762 0.227 0.000 1.838 39 H HN 0.758 nan 8.280 nan 0.000 0.550 40 A N 1.068 124.045 122.820 0.261 0.000 2.609 40 A HA 0.248 4.568 4.320 -0.000 0.000 0.232 40 A C 1.762 179.520 177.584 0.290 0.000 1.041 40 A CA 0.632 52.782 52.037 0.188 0.000 0.753 40 A CB -0.685 18.390 19.000 0.125 0.000 0.966 40 A HN 1.158 nan 8.150 nan 0.000 0.510 41 G N 1.061 109.968 108.800 0.178 0.000 2.442 41 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 41 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 41 G C 1.708 176.777 174.900 0.282 0.000 1.141 41 G CA 1.427 46.652 45.100 0.207 0.000 0.763 41 G HN 1.447 nan 8.290 nan 0.000 0.554 42 S N 0.072 115.945 115.700 0.288 0.000 2.507 42 S HA 0.142 4.612 4.470 -0.000 0.000 0.235 42 S C 1.894 176.650 174.600 0.259 0.000 0.988 42 S CA 0.371 58.744 58.200 0.288 0.000 0.944 42 S CB -0.160 63.200 63.200 0.266 0.000 0.762 42 S HN 0.274 nan 8.310 nan 0.000 0.526 43 L N 1.307 122.720 121.223 0.317 0.000 2.612 43 L HA 0.117 4.457 4.340 -0.000 0.000 0.230 43 L C 2.117 179.036 176.870 0.083 0.000 1.140 43 L CA 0.172 55.146 54.840 0.224 0.000 0.896 43 L CB -0.678 41.559 42.059 0.297 0.000 1.065 43 L HN 0.304 nan 8.230 nan 0.000 0.447 44 T N -0.359 114.322 114.554 0.212 0.000 2.684 44 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 44 T C 1.747 176.490 174.700 0.071 0.000 1.036 44 T CA 1.399 63.623 62.100 0.207 0.000 1.148 44 T CB 0.011 69.040 68.868 0.268 0.000 0.863 44 T HN 0.309 nan 8.240 nan 0.000 0.436 45 E N 0.506 120.741 120.200 0.059 0.000 2.046 45 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 45 E C -0.303 176.219 176.600 -0.131 0.000 0.982 45 E CA 1.087 57.477 56.400 -0.016 0.000 0.800 45 E CB -1.687 28.006 29.700 -0.011 0.000 0.756 45 E HN 0.388 nan 8.360 nan 0.000 0.449 46 P HA -0.133 nan 4.420 nan 0.000 0.216 46 P C 1.528 178.412 177.300 -0.692 0.000 1.150 46 P CA 1.280 64.075 63.100 -0.508 0.000 0.843 46 P CB -0.059 31.409 31.700 -0.387 0.000 0.787 47 M N -1.043 118.382 119.600 -0.292 0.000 2.229 47 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 47 M C 1.758 178.055 176.300 -0.005 0.000 1.063 47 M CA 1.625 56.889 55.300 -0.059 0.000 1.114 47 M CB -1.065 31.429 32.600 -0.176 0.000 1.387 47 M HN 0.017 nan 8.290 nan 0.000 0.420 48 K N 0.107 120.478 120.400 -0.048 0.000 2.063 48 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 48 K C 2.077 178.673 176.600 -0.007 0.000 1.048 48 K CA 1.602 57.891 56.287 0.003 0.000 0.928 48 K CB -0.218 32.278 32.500 -0.007 0.000 0.713 48 K HN 0.291 nan 8.250 nan 0.000 0.442 49 A N 0.800 123.547 122.820 -0.122 0.000 1.929 49 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 49 A C 1.851 179.437 177.584 0.002 0.000 1.176 49 A CA 1.010 52.981 52.037 -0.110 0.000 0.628 49 A CB -0.518 18.352 19.000 -0.216 0.000 0.816 49 A HN 0.134 nan 8.150 nan 0.000 0.444 50 F N 0.512 120.488 119.950 0.044 0.000 2.134 50 F HA -0.087 4.440 4.527 0.000 0.000 0.299 50 F C 2.185 178.103 175.800 0.197 0.000 1.097 50 F CA 1.294 59.314 58.000 0.034 0.000 1.264 50 F CB -0.714 38.259 39.000 -0.045 0.000 1.001 50 F HN 0.264 nan 8.300 nan 0.000 0.479 51 K N 0.629 121.270 120.400 0.402 0.000 2.032 51 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 51 K C 2.449 179.227 176.600 0.297 0.000 1.048 51 K CA 1.576 58.077 56.287 0.357 0.000 0.927 51 K CB -0.168 32.472 32.500 0.234 0.000 0.712 51 K HN 0.099 nan 8.250 nan 0.000 0.441 52 R N 0.061 120.681 120.500 0.199 0.000 2.073 52 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 52 R C 2.231 178.627 176.300 0.160 0.000 1.134 52 R CA 1.489 57.678 56.100 0.148 0.000 0.952 52 R CB -0.407 29.947 30.300 0.088 0.000 0.850 52 R HN 0.332 nan 8.270 nan 0.000 0.433 53 A N 0.355 123.280 122.820 0.176 0.000 1.908 53 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 53 A C 2.014 179.720 177.584 0.204 0.000 1.181 53 A CA 1.377 53.509 52.037 0.157 0.000 0.627 53 A CB -0.817 18.276 19.000 0.156 0.000 0.818 53 A HN 0.506 nan 8.150 nan 0.000 0.445 54 F N 0.716 120.768 119.950 0.170 0.000 2.134 54 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 54 F C 2.280 178.229 175.800 0.248 0.000 1.097 54 F CA 2.136 60.284 58.000 0.247 0.000 1.264 54 F CB -0.180 39.026 39.000 0.344 0.000 1.001 54 F HN 0.352 nan 8.300 nan 0.000 0.479 55 E N -0.295 120.089 120.200 0.306 0.000 2.150 55 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 55 E C 1.997 178.635 176.600 0.063 0.000 0.985 55 E CA 1.197 57.706 56.400 0.182 0.000 0.814 55 E CB -0.166 29.649 29.700 0.191 0.000 0.752 55 E HN 0.562 nan 8.360 nan 0.000 0.466 56 E N 0.689 120.918 120.200 0.048 0.000 2.153 56 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 56 E C 1.955 178.505 176.600 -0.083 0.000 0.988 56 E CA 1.047 57.444 56.400 -0.006 0.000 0.811 56 E CB 0.057 29.761 29.700 0.007 0.000 0.746 56 E HN -0.007 nan 8.360 nan 0.000 0.466 57 K N -0.063 120.238 120.400 -0.164 0.000 2.284 57 K HA -0.005 4.315 4.320 -0.000 0.000 0.198 57 K C 0.179 176.425 176.600 -0.590 0.000 1.048 57 K CA 0.590 56.660 56.287 -0.360 0.000 0.987 57 K CB 0.536 32.779 32.500 -0.428 0.000 0.800 57 K HN 0.040 nan 8.250 nan 0.000 0.486 58 H N 0.628 119.528 119.070 -0.283 0.000 2.632 58 H HA 0.197 4.753 4.556 -0.000 0.000 0.258 58 H C -2.254 173.012 175.328 -0.103 0.000 1.278 58 H CA -2.047 53.852 56.048 -0.249 0.000 1.352 58 H CB 1.677 31.156 29.762 -0.472 0.000 1.418 58 H HN 0.120 nan 8.280 nan 0.000 0.513 59 P HA -0.121 nan 4.420 nan 0.000 0.221 59 P C 1.134 178.463 177.300 0.047 0.000 1.150 59 P CA 0.949 64.059 63.100 0.017 0.000 0.800 59 P CB 0.382 32.079 31.700 -0.006 0.000 0.787 60 N N -0.943 117.792 118.700 0.058 0.000 2.276 60 N HA 0.047 4.787 4.740 -0.000 0.000 0.212 60 N C -0.443 175.115 175.510 0.081 0.000 1.127 60 N CA 0.042 53.128 53.050 0.060 0.000 0.834 60 N CB -0.032 38.484 38.487 0.049 0.000 1.014 60 N HN -0.032 nan 8.380 nan 0.000 0.491 61 V N 0.700 120.682 119.914 0.114 0.000 2.483 61 V HA 0.283 4.403 4.120 -0.000 0.000 0.295 61 V C 0.020 176.206 176.094 0.153 0.000 1.035 61 V CA -0.917 61.473 62.300 0.149 0.000 0.896 61 V CB 2.113 34.081 31.823 0.241 0.000 0.986 61 V HN 0.204 nan 8.190 nan 0.000 0.447 62 E N 3.399 123.671 120.200 0.120 0.000 2.113 62 E HA 0.441 4.791 4.350 -0.000 0.000 0.273 62 E C -1.353 175.304 176.600 0.094 0.000 0.924 62 E CA -0.552 55.914 56.400 0.110 0.000 0.764 62 E CB 1.882 31.628 29.700 0.076 0.000 1.104 62 E HN 0.507 nan 8.360 nan 0.000 0.406 63 V N 5.473 125.454 119.914 0.113 0.000 2.427 63 V HA 0.078 4.198 4.120 -0.000 0.000 0.268 63 V C 0.066 176.181 176.094 0.035 0.000 1.046 63 V CA -0.130 62.187 62.300 0.028 0.000 0.970 63 V CB 0.879 32.726 31.823 0.040 0.000 1.001 63 V HN 0.678 nan 8.190 nan 0.000 0.476 64 Q N 3.558 123.364 119.800 0.009 0.000 2.368 64 Q HA 0.420 4.760 4.340 -0.000 0.000 0.256 64 Q C 0.179 176.236 176.000 0.096 0.000 0.980 64 Q CA -0.367 55.471 55.803 0.059 0.000 0.887 64 Q CB 1.536 30.314 28.738 0.067 0.000 1.221 64 Q HN 0.890 nan 8.270 nan 0.000 0.458 65 T N 0.012 114.649 114.554 0.139 0.000 2.895 65 T HA 0.533 4.883 4.350 -0.000 0.000 0.283 65 T C -0.240 174.576 174.700 0.192 0.000 1.014 65 T CA -0.896 61.346 62.100 0.237 0.000 1.037 65 T CB 1.714 70.771 68.868 0.315 0.000 1.006 65 T HN 0.435 nan 8.240 nan 0.000 0.468 66 E N 0.706 120.984 120.200 0.130 0.000 2.246 66 E HA 0.556 4.906 4.350 -0.000 0.000 0.266 66 E C -1.050 175.290 176.600 -0.433 0.000 0.880 66 E CA -1.115 55.215 56.400 -0.117 0.000 0.762 66 E CB 2.207 31.737 29.700 -0.284 0.000 1.180 66 E HN 0.900 nan 8.360 nan 0.000 0.416 67 A N 2.297 124.881 122.820 -0.393 0.000 2.290 67 A HA 0.853 5.173 4.320 -0.000 0.000 0.310 67 A C -0.575 176.874 177.584 -0.225 0.000 1.202 67 A CA -0.139 51.629 52.037 -0.449 0.000 0.837 67 A CB 0.948 19.882 19.000 -0.110 0.000 1.139 67 A HN 0.636 nan 8.150 nan 0.000 0.509 68 A N 1.432 124.148 122.820 -0.173 0.000 2.601 68 A HA 0.737 5.057 4.320 -0.000 0.000 0.291 68 A C 0.200 177.761 177.584 -0.038 0.000 1.075 68 A CA -0.112 51.869 52.037 -0.093 0.000 0.671 68 A CB 0.262 19.189 19.000 -0.122 0.000 1.277 68 A HN 2.172 nan 8.150 nan 0.000 0.417 69 G N 0.412 109.202 108.800 -0.017 0.000 2.391 69 G HA2 0.377 4.337 3.960 -0.000 0.000 0.234 69 G HA3 0.377 4.337 3.960 -0.000 0.000 0.234 69 G C 0.914 175.811 174.900 -0.006 0.000 1.284 69 G CA 0.548 45.648 45.100 -0.001 0.000 0.873 69 G HN 0.995 nan 8.290 nan 0.000 0.549 70 S N 1.944 117.640 115.700 -0.007 0.000 2.383 70 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 70 S C 2.770 177.376 174.600 0.010 0.000 1.030 70 S CA 1.396 59.596 58.200 -0.000 0.000 1.002 70 S CB -0.220 62.963 63.200 -0.029 0.000 0.829 70 S HN 0.878 nan 8.310 nan 0.000 0.467 71 A N 1.468 124.302 122.820 0.022 0.000 1.898 71 A HA 0.178 4.498 4.320 -0.000 0.000 0.216 71 A C 2.357 179.942 177.584 0.000 0.000 1.181 71 A CA 1.563 53.615 52.037 0.025 0.000 0.620 71 A CB -1.028 18.006 19.000 0.057 0.000 0.819 71 A HN 0.508 nan 8.150 nan 0.000 0.442 72 A N -1.013 121.802 122.820 -0.009 0.000 1.933 72 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 72 A C 2.292 179.846 177.584 -0.049 0.000 1.175 72 A CA 2.302 54.319 52.037 -0.033 0.000 0.628 72 A CB -1.297 17.679 19.000 -0.040 0.000 0.814 72 A HN 0.412 nan 8.150 nan 0.000 0.444 73 T N 0.356 114.889 114.554 -0.035 0.000 2.652 73 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 73 T C 1.773 176.489 174.700 0.026 0.000 1.039 73 T CA 1.772 63.863 62.100 -0.014 0.000 1.153 73 T CB -0.422 68.460 68.868 0.023 0.000 0.863 73 T HN 0.444 nan 8.240 nan 0.000 0.428 74 I N 0.371 120.948 120.570 0.011 0.000 2.315 74 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 74 I C 2.719 178.807 176.117 -0.049 0.000 1.117 74 I CA 1.091 62.389 61.300 -0.004 0.000 1.404 74 I CB -0.316 37.679 38.000 -0.008 0.000 1.071 74 I HN 0.111 nan 8.210 nan 0.000 0.419 75 R N 0.993 121.463 120.500 -0.050 0.000 2.159 75 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 75 R C 2.166 178.411 176.300 -0.092 0.000 1.131 75 R CA 1.175 57.231 56.100 -0.073 0.000 0.982 75 R CB -0.295 29.973 30.300 -0.053 0.000 0.868 75 R HN 0.411 nan 8.270 nan 0.000 0.453 76 K N -0.007 120.353 120.400 -0.067 0.000 2.103 76 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 76 K C 1.985 178.554 176.600 -0.052 0.000 1.048 76 K CA 1.473 57.728 56.287 -0.053 0.000 0.930 76 K CB 0.001 32.474 32.500 -0.046 0.000 0.716 76 K HN 0.039 nan 8.250 nan 0.000 0.444 77 V N 0.651 120.501 119.914 -0.107 0.000 2.500 77 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 77 V C 2.326 177.987 176.094 -0.721 0.000 1.039 77 V CA 2.017 64.131 62.300 -0.309 0.000 1.053 77 V CB -0.099 31.571 31.823 -0.255 0.000 0.695 77 V HN 0.498 nan 8.190 nan 0.000 0.463 78 T N -2.988 111.222 114.554 -0.574 0.000 3.067 78 T HA 0.043 4.393 4.350 -0.000 0.000 0.257 78 T C 1.358 175.889 174.700 -0.281 0.000 1.105 78 T CA 0.782 62.499 62.100 -0.640 0.000 1.104 78 T CB 0.155 68.888 68.868 -0.226 0.000 0.925 78 T HN 0.406 nan 8.240 nan 0.000 0.498 79 E N 0.373 120.459 120.200 -0.190 0.000 2.444 79 E HA 0.344 4.694 4.350 -0.000 0.000 0.209 79 E C 1.658 178.219 176.600 -0.064 0.000 0.806 79 E CA 0.141 56.493 56.400 -0.079 0.000 1.240 79 E CB 0.378 30.048 29.700 -0.050 0.000 1.238 79 E HN 0.421 nan 8.360 nan 0.000 0.591 80 L N 0.078 121.250 121.223 -0.085 0.000 2.640 80 L HA 0.305 4.645 4.340 -0.000 0.000 0.230 80 L C 1.102 177.951 176.870 -0.036 0.000 1.123 80 L CA 0.463 55.272 54.840 -0.051 0.000 0.900 80 L CB 0.232 42.258 42.059 -0.056 0.000 1.146 80 L HN 0.217 nan 8.230 nan 0.000 0.484 81 G N 1.196 109.964 108.800 -0.054 0.000 2.155 81 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 81 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 81 G C 0.346 175.253 174.900 0.011 0.000 0.983 81 G CA 0.034 45.130 45.100 -0.006 0.000 0.676 81 G HN 0.392 nan 8.290 nan 0.000 0.528 82 R N -0.016 120.490 120.500 0.011 0.000 2.500 82 R HA 0.523 4.863 4.340 -0.000 0.000 0.275 82 R C -0.006 176.336 176.300 0.071 0.000 1.051 82 R CA -0.453 55.694 56.100 0.079 0.000 1.088 82 R CB 0.746 31.141 30.300 0.160 0.000 1.063 82 R HN 0.035 nan 8.270 nan 0.000 0.511 83 K N 1.466 121.904 120.400 0.063 0.000 2.263 83 K HA 0.417 4.737 4.320 -0.000 0.000 0.272 83 K C -0.734 175.760 176.600 -0.177 0.000 1.033 83 K CA -0.410 55.863 56.287 -0.023 0.000 0.884 83 K CB 2.083 34.577 32.500 -0.011 0.000 1.107 83 K HN 0.638 nan 8.250 nan 0.000 0.460 84 A N 2.432 125.048 122.820 -0.340 0.000 2.340 84 A HA 0.355 4.675 4.320 -0.000 0.000 0.331 84 A C 0.212 177.570 177.584 -0.376 0.000 1.140 84 A CA -0.620 51.008 52.037 -0.683 0.000 0.801 84 A CB 0.752 19.130 19.000 -1.037 0.000 1.234 84 A HN 0.657 nan 8.150 nan 0.000 0.469 85 D N -0.068 120.106 120.400 -0.378 0.000 2.240 85 D HA 0.120 4.760 4.640 -0.000 0.000 0.206 85 D C -0.026 176.139 176.300 -0.224 0.000 0.963 85 D CA 1.440 55.292 54.000 -0.246 0.000 0.863 85 D CB 0.507 41.164 40.800 -0.239 0.000 0.973 85 D HN 0.219 nan 8.370 nan 0.000 0.501 86 V N 1.973 121.713 119.914 -0.290 0.000 2.686 86 V HA 0.295 4.415 4.120 -0.000 0.000 0.306 86 V C -0.598 175.407 176.094 -0.149 0.000 1.065 86 V CA -0.754 61.434 62.300 -0.188 0.000 0.894 86 V CB 3.124 34.821 31.823 -0.209 0.000 1.004 86 V HN -0.083 nan 8.190 nan 0.000 0.424 87 I N 3.573 124.107 120.570 -0.060 0.000 2.406 87 I HA 0.780 4.950 4.170 -0.000 0.000 0.290 87 I C 0.150 176.335 176.117 0.113 0.000 0.999 87 I CA -0.364 60.950 61.300 0.025 0.000 1.124 87 I CB 1.785 39.784 38.000 -0.001 0.000 1.289 87 I HN 0.768 nan 8.210 nan 0.000 0.441 88 A N 4.349 127.291 122.820 0.203 0.000 2.343 88 A HA 0.708 5.028 4.320 -0.000 0.000 0.308 88 A C -0.366 177.366 177.584 0.247 0.000 1.092 88 A CA -0.537 51.678 52.037 0.296 0.000 0.751 88 A CB 1.689 20.934 19.000 0.408 0.000 1.203 88 A HN 0.644 nan 8.150 nan 0.000 0.452 89 T N 0.803 115.466 114.554 0.181 0.000 2.885 89 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 89 T C 1.011 175.578 174.700 -0.222 0.000 1.019 89 T CA 0.295 62.407 62.100 0.019 0.000 1.010 89 T CB 1.404 70.281 68.868 0.015 0.000 1.022 89 T HN 1.282 nan 8.240 nan 0.000 0.466 90 A N 2.589 125.113 122.820 -0.492 0.000 2.167 90 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 90 A C 0.723 177.867 177.584 -0.734 0.000 1.151 90 A CA 0.543 51.813 52.037 -1.279 0.000 0.735 90 A CB -0.150 18.315 19.000 -0.892 0.000 0.802 90 A HN 0.732 nan 8.150 nan 0.000 0.467 91 D N -1.203 119.022 120.400 -0.291 0.000 2.473 91 D HA 0.277 4.917 4.640 -0.000 0.000 0.253 91 D C 0.649 176.906 176.300 -0.072 0.000 1.233 91 D CA -0.787 53.148 54.000 -0.109 0.000 0.908 91 D CB 0.411 41.206 40.800 -0.009 0.000 1.170 91 D HN 0.317 nan 8.370 nan 0.000 0.558 92 Y N 1.937 122.225 120.300 -0.020 0.000 2.298 92 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 92 Y C 1.950 177.853 175.900 0.004 0.000 1.164 92 Y CA 1.799 59.912 58.100 0.022 0.000 1.229 92 Y CB -1.010 37.488 38.460 0.064 0.000 0.977 92 Y HN 0.289 nan 8.280 nan 0.000 0.538 93 T N -1.471 112.594 114.554 -0.815 0.000 2.962 93 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 93 T C 1.670 176.194 174.700 -0.294 0.000 1.088 93 T CA 1.247 62.968 62.100 -0.633 0.000 1.127 93 T CB -0.761 67.744 68.868 -0.605 0.000 0.883 93 T HN 0.534 nan 8.240 nan 0.000 0.493 94 L N -0.185 120.926 121.223 -0.187 0.000 2.275 94 L HA 0.104 4.444 4.340 -0.000 0.000 0.215 94 L C 2.555 179.354 176.870 -0.119 0.000 1.119 94 L CA 0.824 55.597 54.840 -0.112 0.000 0.790 94 L CB -0.522 41.515 42.059 -0.036 0.000 0.919 94 L HN 0.291 nan 8.230 nan 0.000 0.443 95 I N -0.664 119.837 120.570 -0.115 0.000 2.163 95 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 95 I C 2.792 178.689 176.117 -0.367 0.000 1.081 95 I CA 1.191 62.420 61.300 -0.117 0.000 1.353 95 I CB -0.368 37.624 38.000 -0.012 0.000 1.054 95 I HN 0.356 nan 8.210 nan 0.000 0.407 96 Q N 1.768 121.184 119.800 -0.640 0.000 2.061 96 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 96 Q C 2.123 177.795 176.000 -0.548 0.000 0.984 96 Q CA 1.908 56.999 55.803 -1.187 0.000 0.846 96 Q CB -0.068 28.233 28.738 -0.729 0.000 0.902 96 Q HN 0.471 nan 8.270 nan 0.000 0.421 97 K N -0.592 119.629 120.400 -0.298 0.000 2.097 97 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 97 K C 2.114 178.658 176.600 -0.092 0.000 1.049 97 K CA 1.572 57.763 56.287 -0.160 0.000 0.933 97 K CB 0.024 32.442 32.500 -0.136 0.000 0.717 97 K HN 0.276 nan 8.250 nan 0.000 0.442 98 M N -1.112 118.439 119.600 -0.082 0.000 2.571 98 M HA 0.143 4.623 4.480 -0.000 0.000 0.259 98 M C 1.686 178.022 176.300 0.061 0.000 1.205 98 M CA 0.638 55.931 55.300 -0.011 0.000 1.138 98 M CB 0.540 33.129 32.600 -0.018 0.000 1.329 98 M HN 0.050 nan 8.290 nan 0.000 0.503 99 M N -1.124 118.524 119.600 0.080 0.000 2.491 99 M HA 0.164 4.644 4.480 -0.000 0.000 0.259 99 M C -0.440 176.073 176.300 0.354 0.000 1.163 99 M CA 0.099 55.541 55.300 0.237 0.000 1.109 99 M CB 0.669 33.399 32.600 0.216 0.000 1.353 99 M HN -0.043 nan 8.290 nan 0.000 0.500 100 Y N 2.081 122.418 120.300 0.061 0.000 2.309 100 Y HA 0.229 4.779 4.550 -0.000 0.000 0.327 100 Y C -1.312 174.604 175.900 0.027 0.000 1.172 100 Y CA -2.749 55.373 58.100 0.036 0.000 1.280 100 Y CB -0.416 38.064 38.460 0.034 0.000 1.234 100 Y HN 0.094 nan 8.280 nan 0.000 0.512 101 P HA 0.059 nan 4.420 nan 0.000 0.267 101 P C 0.822 178.087 177.300 -0.058 0.000 1.289 101 P CA 0.407 63.524 63.100 0.029 0.000 0.866 101 P CB 0.498 32.191 31.700 -0.011 0.000 1.309 102 E N -0.157 119.979 120.200 -0.105 0.000 2.107 102 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 102 E C 0.778 177.035 176.600 -0.570 0.000 0.982 102 E CA 1.023 57.185 56.400 -0.397 0.000 0.809 102 E CB -0.195 29.149 29.700 -0.593 0.000 0.756 102 E HN 0.222 nan 8.360 nan 0.000 0.459 103 F N -0.591 119.370 119.950 0.018 0.000 2.724 103 F HA 0.456 4.983 4.527 -0.000 0.000 0.306 103 F C 0.395 176.176 175.800 -0.031 0.000 1.100 103 F CA -0.060 57.938 58.000 -0.003 0.000 1.255 103 F CB 1.396 40.401 39.000 0.008 0.000 1.072 103 F HN 0.000 nan 8.300 nan 0.000 0.589 104 A N 0.618 123.504 122.820 0.110 0.000 2.610 104 A HA 0.579 4.899 4.320 -0.000 0.000 0.291 104 A C -0.706 176.728 177.584 -0.250 0.000 1.086 104 A CA -0.485 51.526 52.037 -0.043 0.000 0.677 104 A CB 0.755 19.776 19.000 0.035 0.000 1.278 104 A HN 0.113 nan 8.150 nan 0.000 0.414 105 N N -0.620 117.797 118.700 -0.473 0.000 2.110 105 N HA 0.145 4.885 4.740 -0.000 0.000 0.230 105 N C -0.448 174.764 175.510 -0.497 0.000 1.353 105 N CA 0.164 52.719 53.050 -0.824 0.000 0.807 105 N CB 0.267 38.540 38.487 -0.358 0.000 1.244 105 N HN 0.966 nan 8.380 nan 0.000 0.504 106 W N -0.358 120.835 121.300 -0.178 0.000 3.118 106 W HA 0.732 5.392 4.660 -0.000 0.000 0.328 106 W C -1.797 174.883 176.519 0.269 0.000 1.239 106 W CA -0.793 56.600 57.345 0.079 0.000 1.176 106 W CB 0.713 30.190 29.460 0.029 0.000 1.433 106 W HN -0.228 nan 8.180 nan 0.000 0.562 107 T N 2.454 117.397 114.554 0.649 0.000 2.916 107 T HA 0.519 4.869 4.350 -0.000 0.000 0.298 107 T C -0.669 174.360 174.700 0.548 0.000 1.031 107 T CA -0.568 61.830 62.100 0.496 0.000 0.993 107 T CB 2.137 71.240 68.868 0.391 0.000 1.045 107 T HN 0.321 nan 8.240 nan 0.000 0.454 108 I N 3.118 124.002 120.570 0.524 0.000 2.354 108 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 108 I C 0.143 176.461 176.117 0.335 0.000 0.989 108 I CA -0.683 60.834 61.300 0.362 0.000 1.188 108 I CB 1.377 39.572 38.000 0.324 0.000 1.342 108 I HN 0.423 nan 8.210 nan 0.000 0.457 109 M N 7.301 127.018 119.600 0.195 0.000 2.211 109 M HA 0.432 4.912 4.480 -0.000 0.000 0.356 109 M C -0.765 175.695 176.300 0.266 0.000 1.216 109 M CA -0.063 55.311 55.300 0.124 0.000 1.134 109 M CB 0.682 33.186 32.600 -0.161 0.000 1.564 109 M HN 0.483 nan 8.290 nan 0.000 0.463 110 F N 0.848 120.841 119.950 0.072 0.000 2.654 110 F HA 0.833 5.360 4.527 -0.000 0.000 0.308 110 F C -0.728 175.100 175.800 0.047 0.000 1.108 110 F CA -1.021 57.009 58.000 0.049 0.000 0.957 110 F CB 0.816 39.843 39.000 0.045 0.000 1.309 110 F HN 0.907 nan 8.300 nan 0.000 0.446 111 A N 1.921 124.701 122.820 -0.067 0.000 2.435 111 A HA 0.051 4.371 4.320 -0.000 0.000 0.686 111 A C -1.005 176.389 177.584 -0.316 0.000 0.139 111 A CA 0.382 52.271 52.037 -0.248 0.000 0.030 111 A CB -1.058 17.680 19.000 -0.436 0.000 3.973 111 A HN 1.007 nan 8.150 nan 0.000 0.548 112 K N 1.240 121.503 120.400 -0.229 0.000 2.245 112 K HA 0.795 5.115 4.320 -0.000 0.000 0.234 112 K C 0.201 176.688 176.600 -0.188 0.000 1.021 112 K CA -0.985 55.229 56.287 -0.123 0.000 0.898 112 K CB 1.163 33.642 32.500 -0.036 0.000 1.163 112 K HN 0.774 nan 8.250 nan 0.000 0.459 113 N N 0.149 118.819 118.700 -0.050 0.000 3.378 113 N HA 0.159 4.899 4.740 -0.000 0.000 0.294 113 N C -2.054 173.487 175.510 0.051 0.000 1.544 113 N CA -0.511 52.517 53.050 -0.037 0.000 0.872 113 N CB 2.124 40.543 38.487 -0.114 0.000 1.670 113 N HN 0.554 nan 8.380 nan 0.000 0.551 114 Q N 1.144 121.003 119.800 0.099 0.000 2.327 114 Q HA 0.384 4.724 4.340 -0.000 0.000 0.265 114 Q C -1.476 174.539 176.000 0.025 0.000 0.993 114 Q CA -0.593 55.229 55.803 0.032 0.000 0.885 114 Q CB 1.323 30.046 28.738 -0.025 0.000 1.379 114 Q HN 0.499 nan 8.270 nan 0.000 0.408 115 I N 4.500 125.043 120.570 -0.045 0.000 2.441 115 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 115 I C 0.510 176.538 176.117 -0.148 0.000 1.049 115 I CA -0.164 61.066 61.300 -0.116 0.000 1.381 115 I CB 0.679 38.607 38.000 -0.120 0.000 1.409 115 I HN 0.540 nan 8.210 nan 0.000 0.523 116 V N 5.138 124.927 119.914 -0.209 0.000 3.141 116 V HA 0.642 4.762 4.120 -0.000 0.000 0.312 116 V C -0.909 175.013 176.094 -0.285 0.000 1.157 116 V CA -1.090 61.077 62.300 -0.222 0.000 1.041 116 V CB 2.436 34.088 31.823 -0.286 0.000 1.071 116 V HN 0.473 nan 8.190 nan 0.000 0.441 117 L N 2.599 123.658 121.223 -0.273 0.000 2.295 117 L HA 0.902 5.242 4.340 -0.000 0.000 0.281 117 L C 0.231 177.099 176.870 -0.004 0.000 1.018 117 L CA -0.072 54.534 54.840 -0.390 0.000 0.841 117 L CB 0.221 41.942 42.059 -0.563 0.000 1.218 117 L HN 1.181 nan 8.230 nan 0.000 0.424 118 A N 4.771 127.532 122.820 -0.099 0.000 2.294 118 A HA 0.845 5.165 4.320 -0.000 0.000 0.330 118 A C -1.283 176.498 177.584 0.328 0.000 1.133 118 A CA -0.265 51.813 52.037 0.068 0.000 0.836 118 A CB 0.754 19.547 19.000 -0.346 0.000 1.190 118 A HN 0.847 nan 8.150 nan 0.000 0.492 119 Y N -1.207 119.186 120.300 0.155 0.000 2.750 119 Y HA 0.710 5.259 4.550 -0.000 0.000 0.335 119 Y C -0.452 175.597 175.900 0.248 0.000 1.252 119 Y CA -1.384 56.743 58.100 0.044 0.000 1.064 119 Y CB 0.850 39.201 38.460 -0.183 0.000 1.321 119 Y HN 0.911 nan 8.280 nan 0.000 0.451 120 R N 0.433 121.082 120.500 0.248 0.000 2.782 120 R HA 0.535 4.875 4.340 -0.000 0.000 0.258 120 R C -0.599 175.790 176.300 0.149 0.000 1.055 120 R CA -0.743 55.459 56.100 0.171 0.000 1.065 120 R CB 0.934 31.336 30.300 0.170 0.000 1.172 120 R HN 0.683 nan 8.270 nan 0.000 0.510 121 N N 0.538 119.285 118.700 0.078 0.000 2.205 121 N HA -0.198 4.542 4.740 -0.000 0.000 0.186 121 N C 0.673 176.231 175.510 0.081 0.000 1.015 121 N CA 1.893 54.998 53.050 0.090 0.000 0.862 121 N CB -0.334 38.177 38.487 0.039 0.000 0.986 121 N HN 0.715 nan 8.380 nan 0.000 0.429 122 D N -0.264 120.162 120.400 0.043 0.000 2.340 122 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 122 D C -0.324 175.961 176.300 -0.026 0.000 1.039 122 D CA -0.025 53.978 54.000 0.005 0.000 0.866 122 D CB 0.183 40.977 40.800 -0.009 0.000 0.913 122 D HN -0.067 nan 8.370 nan 0.000 0.523 123 S N 0.466 116.154 115.700 -0.020 0.000 2.563 123 S HA 0.083 4.553 4.470 -0.000 0.000 0.284 123 S C 0.235 174.751 174.600 -0.140 0.000 1.331 123 S CA -0.330 57.791 58.200 -0.132 0.000 1.047 123 S CB 0.572 63.589 63.200 -0.305 0.000 0.859 123 S HN 0.222 nan 8.310 nan 0.000 0.514 124 R N 1.470 121.865 120.500 -0.175 0.000 2.502 124 R HA -0.009 4.331 4.340 -0.000 0.000 0.292 124 R C -0.368 175.839 176.300 -0.155 0.000 0.998 124 R CA 0.354 56.265 56.100 -0.315 0.000 1.056 124 R CB -0.277 29.822 30.300 -0.336 0.000 0.939 124 R HN 0.734 nan 8.270 nan 0.000 0.411 125 Y N -0.580 119.766 120.300 0.076 0.000 4.490 125 Y HA -0.325 4.225 4.550 0.000 0.000 0.233 125 Y C 1.459 177.395 175.900 0.059 0.000 1.101 125 Y CA 0.378 58.516 58.100 0.063 0.000 2.010 125 Y CB -2.381 36.110 38.460 0.050 0.000 1.622 125 Y HN 0.829 nan 8.280 nan 0.000 0.675 126 A N 0.764 123.656 122.820 0.119 0.000 1.986 126 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 126 A C 2.094 179.753 177.584 0.124 0.000 1.171 126 A CA 1.993 54.080 52.037 0.085 0.000 0.640 126 A CB -0.470 18.652 19.000 0.203 0.000 0.811 126 A HN 0.642 nan 8.150 nan 0.000 0.451 127 D N -0.858 119.613 120.400 0.119 0.000 2.348 127 D HA -0.134 4.506 4.640 -0.000 0.000 0.216 127 D C 1.434 177.785 176.300 0.085 0.000 0.970 127 D CA 1.283 55.345 54.000 0.102 0.000 0.889 127 D CB -0.213 40.638 40.800 0.084 0.000 0.912 127 D HN 0.719 nan 8.370 nan 0.000 0.524 128 E N -0.335 119.917 120.200 0.087 0.000 2.364 128 E HA 0.159 4.509 4.350 -0.000 0.000 0.203 128 E C 0.828 177.431 176.600 0.005 0.000 0.888 128 E CA -0.392 56.037 56.400 0.047 0.000 0.989 128 E CB 0.727 30.461 29.700 0.056 0.000 0.985 128 E HN 0.159 nan 8.360 nan 0.000 0.499 129 I N 2.310 122.873 120.570 -0.011 0.000 2.634 129 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 129 I C -0.633 175.472 176.117 -0.020 0.000 1.124 129 I CA 0.014 61.270 61.300 -0.072 0.000 1.417 129 I CB 0.324 38.210 38.000 -0.191 0.000 1.396 129 I HN 0.239 nan 8.210 nan 0.000 0.571 130 N N 2.185 120.887 118.700 0.003 0.000 3.277 130 N HA 0.223 4.963 4.740 -0.000 0.000 0.278 130 N C -0.542 175.045 175.510 0.128 0.000 1.544 130 N CA -0.740 52.344 53.050 0.058 0.000 0.869 130 N CB 1.007 39.520 38.487 0.043 0.000 1.584 130 N HN 0.278 nan 8.380 nan 0.000 0.564 131 S N -0.902 114.891 115.700 0.155 0.000 2.555 131 S HA -0.031 4.439 4.470 -0.000 0.000 0.230 131 S C 0.962 175.773 174.600 0.352 0.000 0.978 131 S CA 0.662 59.025 58.200 0.273 0.000 0.934 131 S CB -0.387 62.932 63.200 0.199 0.000 0.766 131 S HN 0.522 nan 8.310 nan 0.000 0.533 132 Q N 1.044 120.942 119.800 0.163 0.000 2.391 132 Q HA 0.086 4.426 4.340 -0.000 0.000 0.211 132 Q C 0.962 176.833 176.000 -0.215 0.000 0.908 132 Q CA 0.615 56.448 55.803 0.050 0.000 0.920 132 Q CB 0.109 28.866 28.738 0.031 0.000 1.056 132 Q HN 0.597 nan 8.270 nan 0.000 0.523 133 N N -0.900 117.659 118.700 -0.235 0.000 2.170 133 N HA -0.065 4.675 4.740 -0.000 0.000 0.222 133 N C 1.141 176.326 175.510 -0.541 0.000 1.218 133 N CA -0.347 52.425 53.050 -0.463 0.000 0.889 133 N CB -0.581 37.733 38.487 -0.288 0.000 1.083 133 N HN 0.331 nan 8.380 nan 0.000 0.520 134 W N 1.416 122.477 121.300 -0.397 0.000 2.338 134 W HA -0.194 4.466 4.660 -0.000 0.000 0.304 134 W C 0.946 177.266 176.519 -0.332 0.000 1.212 134 W CA 0.981 58.127 57.345 -0.332 0.000 1.264 134 W CB -1.298 28.042 29.460 -0.200 0.000 1.142 134 W HN 0.173 nan 8.180 nan 0.000 0.512 135 Y N 0.541 120.146 120.300 -1.157 0.000 2.457 135 Y HA 0.147 4.697 4.550 0.000 0.000 0.292 135 Y C 2.148 177.717 175.900 -0.551 0.000 1.125 135 Y CA 1.049 58.530 58.100 -1.032 0.000 1.254 135 Y CB -1.202 36.344 38.460 -1.523 0.000 1.012 135 Y HN -0.140 nan 8.280 nan 0.000 0.555 136 E N 1.063 120.830 120.200 -0.721 0.000 2.107 136 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 136 E C 2.200 178.621 176.600 -0.298 0.000 0.982 136 E CA 0.754 56.898 56.400 -0.428 0.000 0.809 136 E CB -0.075 29.338 29.700 -0.477 0.000 0.756 136 E HN 0.469 nan 8.360 nan 0.000 0.459 137 I N 1.229 121.609 120.570 -0.316 0.000 2.226 137 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 137 I C 2.456 178.483 176.117 -0.150 0.000 1.100 137 I CA 0.992 62.150 61.300 -0.236 0.000 1.374 137 I CB -1.092 36.764 38.000 -0.240 0.000 1.057 137 I HN 0.094 nan 8.210 nan 0.000 0.413 138 L N 0.208 121.321 121.223 -0.183 0.000 2.362 138 L HA -0.155 4.185 4.340 -0.000 0.000 0.219 138 L C 2.193 179.082 176.870 0.031 0.000 1.134 138 L CA 0.908 55.690 54.840 -0.097 0.000 0.807 138 L CB -0.453 41.460 42.059 -0.242 0.000 0.927 138 L HN 0.250 nan 8.230 nan 0.000 0.447 139 K N -0.074 120.312 120.400 -0.023 0.000 2.418 139 K HA 0.024 4.344 4.320 -0.000 0.000 0.195 139 K C 0.518 177.138 176.600 0.033 0.000 1.035 139 K CA 0.036 56.335 56.287 0.019 0.000 1.003 139 K CB 0.129 32.610 32.500 -0.032 0.000 0.793 139 K HN 0.274 nan 8.250 nan 0.000 0.494 140 R N 1.657 122.169 120.500 0.020 0.000 2.623 140 R HA -0.008 4.332 4.340 -0.000 0.000 0.271 140 R C -1.648 174.714 176.300 0.103 0.000 1.043 140 R CA -1.050 55.071 56.100 0.035 0.000 1.083 140 R CB 0.157 30.459 30.300 0.004 0.000 0.974 140 R HN -0.001 nan 8.270 nan 0.000 0.436 141 P HA -0.167 nan 4.420 nan 0.000 0.220 141 P C 0.097 177.460 177.300 0.106 0.000 1.148 141 P CA 1.275 64.427 63.100 0.086 0.000 0.803 141 P CB 0.197 31.932 31.700 0.058 0.000 0.782 142 D N -0.555 119.929 120.400 0.140 0.000 2.349 142 D HA -0.001 4.639 4.640 -0.000 0.000 0.215 142 D C 0.606 177.001 176.300 0.158 0.000 1.016 142 D CA 0.040 54.120 54.000 0.133 0.000 0.870 142 D CB -0.684 40.199 40.800 0.138 0.000 0.917 142 D HN 0.025 nan 8.370 nan 0.000 0.524 143 V N 1.261 121.310 119.914 0.226 0.000 2.461 143 V HA 0.266 4.386 4.120 -0.000 0.000 0.275 143 V C 0.489 176.752 176.094 0.282 0.000 1.047 143 V CA -0.546 61.926 62.300 0.287 0.000 0.955 143 V CB 0.986 33.025 31.823 0.360 0.000 0.988 143 V HN -0.021 nan 8.190 nan 0.000 0.471 144 R N 4.763 125.411 120.500 0.248 0.000 2.514 144 R HA 0.711 5.051 4.340 -0.000 0.000 0.301 144 R C -0.958 175.525 176.300 0.306 0.000 0.962 144 R CA -0.380 55.822 56.100 0.170 0.000 0.882 144 R CB 1.885 32.211 30.300 0.044 0.000 1.143 144 R HN 0.716 nan 8.270 nan 0.000 0.452 145 F N -1.291 118.761 119.950 0.171 0.000 2.613 145 F HA 0.857 5.384 4.527 -0.000 0.000 0.314 145 F C -0.383 175.530 175.800 0.188 0.000 1.075 145 F CA -1.207 56.933 58.000 0.233 0.000 0.945 145 F CB 1.603 40.801 39.000 0.331 0.000 1.310 145 F HN 0.510 nan 8.300 nan 0.000 0.467 146 G N 0.746 109.793 108.800 0.413 0.000 2.533 146 G HA2 0.749 4.709 3.960 -0.000 0.000 0.304 146 G HA3 0.749 4.709 3.960 -0.000 0.000 0.304 146 G C -2.047 173.153 174.900 0.501 0.000 1.263 146 G CA -0.996 44.221 45.100 0.194 0.000 0.964 146 G HN 1.003 nan 8.290 nan 0.000 0.479 147 F N -0.418 119.689 119.950 0.261 0.000 2.686 147 F HA 0.797 5.324 4.527 0.000 0.000 0.311 147 F C 0.115 175.979 175.800 0.108 0.000 1.128 147 F CA -1.377 56.757 58.000 0.223 0.000 0.946 147 F CB 1.120 40.237 39.000 0.195 0.000 1.336 147 F HN 0.654 nan 8.300 nan 0.000 0.457 148 S N 0.488 116.341 115.700 0.255 0.000 2.681 148 S HA 0.352 4.822 4.470 -0.000 0.000 0.270 148 S C -0.384 174.320 174.600 0.172 0.000 1.209 148 S CA -0.773 57.496 58.200 0.117 0.000 0.988 148 S CB 0.921 64.169 63.200 0.080 0.000 1.006 148 S HN 0.836 nan 8.310 nan 0.000 0.558 149 N N 1.647 120.399 118.700 0.087 0.000 2.416 149 N HA 0.242 4.982 4.740 -0.000 0.000 0.265 149 N C -1.946 173.641 175.510 0.129 0.000 1.195 149 N CA -2.070 51.041 53.050 0.103 0.000 0.943 149 N CB 0.682 39.196 38.487 0.045 0.000 1.115 149 N HN 0.258 nan 8.380 nan 0.000 0.481 150 P HA -0.077 nan 4.420 nan 0.000 0.219 150 P C 0.583 178.009 177.300 0.209 0.000 1.146 150 P CA 0.983 64.211 63.100 0.214 0.000 0.808 150 P CB 0.340 32.165 31.700 0.208 0.000 0.779 151 N N -0.827 117.947 118.700 0.123 0.000 2.396 151 N HA -0.094 4.646 4.740 -0.000 0.000 0.180 151 N C 0.916 176.473 175.510 0.079 0.000 1.028 151 N CA 1.144 54.246 53.050 0.086 0.000 0.893 151 N CB -0.404 38.110 38.487 0.046 0.000 0.967 151 N HN 0.201 nan 8.380 nan 0.000 0.440 152 D N -0.665 119.778 120.400 0.071 0.000 2.422 152 D HA 0.050 4.690 4.640 -0.000 0.000 0.218 152 D C -0.367 175.953 176.300 0.034 0.000 1.047 152 D CA 0.510 54.535 54.000 0.041 0.000 0.885 152 D CB 0.562 41.372 40.800 0.017 0.000 1.035 152 D HN 0.072 nan 8.370 nan 0.000 0.502 153 D N -1.061 119.353 120.400 0.024 0.000 2.855 153 D HA 0.226 4.866 4.640 -0.000 0.000 0.241 153 D C -2.107 174.023 176.300 -0.282 0.000 1.277 153 D CA -1.999 51.964 54.000 -0.062 0.000 0.918 153 D CB 2.574 43.360 40.800 -0.024 0.000 1.462 153 D HN -0.316 nan 8.370 nan 0.000 0.559 154 P HA -0.158 nan 4.420 nan 0.000 0.217 154 P C 1.522 178.379 177.300 -0.737 0.000 1.151 154 P CA 0.780 63.182 63.100 -1.164 0.000 0.849 154 P CB 0.235 31.608 31.700 -0.545 0.000 0.787 155 C N -0.856 118.254 119.300 -0.318 0.000 2.413 155 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 155 C C 2.855 177.688 174.990 -0.262 0.000 1.265 155 C CA 1.730 60.517 59.018 -0.385 0.000 1.752 155 C CB -1.916 25.556 27.740 -0.446 0.000 1.998 155 C HN 0.277 nan 8.230 nan 0.000 0.489 156 G N -0.522 108.185 108.800 -0.156 0.000 2.404 156 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 156 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 156 G C 1.306 176.213 174.900 0.011 0.000 1.174 156 G CA 1.149 46.267 45.100 0.030 0.000 0.780 156 G HN 0.729 nan 8.290 nan 0.000 0.537 157 Y N 0.669 120.971 120.300 0.003 0.000 2.293 157 Y HA 0.166 4.716 4.550 0.000 0.000 0.291 157 Y C 2.661 178.535 175.900 -0.043 0.000 1.137 157 Y CA 0.755 58.843 58.100 -0.021 0.000 1.202 157 Y CB -0.662 37.789 38.460 -0.015 0.000 0.990 157 Y HN 0.048 nan 8.280 nan 0.000 0.537 158 R N 0.533 121.028 120.500 -0.008 0.000 2.115 158 R HA -0.081 4.259 4.340 -0.000 0.000 0.230 158 R C 2.342 178.576 176.300 -0.110 0.000 1.111 158 R CA 1.283 57.368 56.100 -0.025 0.000 0.976 158 R CB -0.312 29.917 30.300 -0.118 0.000 0.870 158 R HN 0.346 nan 8.270 nan 0.000 0.445 159 S N 1.102 116.695 115.700 -0.179 0.000 2.356 159 S HA -0.066 4.404 4.470 -0.000 0.000 0.223 159 S C 1.921 176.280 174.600 -0.403 0.000 1.032 159 S CA 0.998 58.994 58.200 -0.340 0.000 1.005 159 S CB -0.139 62.868 63.200 -0.322 0.000 0.867 159 S HN 0.214 nan 8.310 nan 0.000 0.449 160 L N 0.730 121.803 121.223 -0.249 0.000 2.056 160 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 160 L C 2.530 179.495 176.870 0.158 0.000 1.078 160 L CA 1.121 55.963 54.840 0.003 0.000 0.749 160 L CB -0.592 41.534 42.059 0.110 0.000 0.901 160 L HN 0.343 nan 8.230 nan 0.000 0.433 161 M N -0.307 119.355 119.600 0.103 0.000 2.080 161 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 161 M C 2.556 178.804 176.300 -0.086 0.000 1.068 161 M CA 2.064 57.382 55.300 0.030 0.000 1.109 161 M CB -0.528 32.103 32.600 0.053 0.000 1.342 161 M HN 0.326 nan 8.290 nan 0.000 0.405 162 A N 0.508 123.269 122.820 -0.097 0.000 1.902 162 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 162 A C 2.051 179.628 177.584 -0.013 0.000 1.181 162 A CA 1.541 53.526 52.037 -0.087 0.000 0.623 162 A CB -0.944 17.987 19.000 -0.116 0.000 0.818 162 A HN 0.483 nan 8.150 nan 0.000 0.443 163 I N -0.883 119.673 120.570 -0.024 0.000 2.226 163 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 163 I C 2.728 178.896 176.117 0.085 0.000 1.100 163 I CA 1.739 63.111 61.300 0.120 0.000 1.374 163 I CB -0.263 37.768 38.000 0.053 0.000 1.057 163 I HN 0.386 nan 8.210 nan 0.000 0.413 164 Q N 1.354 121.099 119.800 -0.090 0.000 2.119 164 Q HA -0.116 4.224 4.340 -0.000 0.000 0.201 164 Q C 2.110 177.849 176.000 -0.435 0.000 0.972 164 Q CA 1.630 57.132 55.803 -0.502 0.000 0.847 164 Q CB -0.360 27.542 28.738 -1.393 0.000 0.903 164 Q HN 0.479 nan 8.270 nan 0.000 0.433 165 L N -0.095 120.965 121.223 -0.271 0.000 2.127 165 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 165 L C 2.325 179.176 176.870 -0.031 0.000 1.089 165 L CA 0.941 55.697 54.840 -0.141 0.000 0.757 165 L CB -0.733 41.300 42.059 -0.044 0.000 0.899 165 L HN 0.299 nan 8.230 nan 0.000 0.434 166 A N -0.062 122.795 122.820 0.061 0.000 1.940 166 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 166 A C 2.168 179.828 177.584 0.126 0.000 1.176 166 A CA 1.695 53.874 52.037 0.238 0.000 0.631 166 A CB -0.402 18.847 19.000 0.416 0.000 0.814 166 A HN 0.484 nan 8.150 nan 0.000 0.446 167 E N -0.270 119.893 120.200 -0.062 0.000 2.118 167 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 167 E C 1.908 178.467 176.600 -0.068 0.000 0.992 167 E CA 1.223 57.558 56.400 -0.109 0.000 0.804 167 E CB -0.286 29.287 29.700 -0.210 0.000 0.741 167 E HN 0.683 nan 8.360 nan 0.000 0.458 168 L N -0.350 120.825 121.223 -0.081 0.000 2.095 168 L HA -0.136 4.204 4.340 -0.000 0.000 0.204 168 L C 2.536 179.401 176.870 -0.008 0.000 1.080 168 L CA 0.885 55.708 54.840 -0.028 0.000 0.759 168 L CB -0.471 41.578 42.059 -0.017 0.000 0.914 168 L HN 0.139 nan 8.230 nan 0.000 0.439 169 Y N 0.084 120.305 120.300 -0.132 0.000 2.163 169 Y HA -0.268 4.282 4.550 -0.000 0.000 0.288 169 Y C 2.093 177.844 175.900 -0.248 0.000 1.136 169 Y CA 1.570 59.531 58.100 -0.232 0.000 1.147 169 Y CB -0.256 37.982 38.460 -0.370 0.000 0.987 169 Y HN 0.057 nan 8.280 nan 0.000 0.509 170 Y N 0.440 120.684 120.300 -0.093 0.000 2.490 170 Y HA 0.129 4.679 4.550 0.000 0.000 0.281 170 Y C 0.537 176.354 175.900 -0.137 0.000 1.174 170 Y CA 0.190 58.202 58.100 -0.146 0.000 1.295 170 Y CB -0.438 37.971 38.460 -0.085 0.000 1.062 170 Y HN 0.107 nan 8.280 nan 0.000 0.522 171 N N 1.755 120.447 118.700 -0.012 0.000 2.714 171 N HA -0.213 4.527 4.740 -0.000 0.000 0.253 171 N C -1.149 174.359 175.510 -0.004 0.000 1.024 171 N CA 1.240 54.280 53.050 -0.017 0.000 0.726 171 N CB -0.998 37.471 38.487 -0.030 0.000 0.908 171 N HN 0.397 nan 8.380 nan 0.000 0.542 172 D N -0.201 120.187 120.400 -0.020 0.000 2.402 172 D HA 0.244 4.884 4.640 -0.000 0.000 0.252 172 D C -2.067 174.193 176.300 -0.066 0.000 1.294 172 D CA -1.595 52.374 54.000 -0.052 0.000 0.948 172 D CB 1.342 42.075 40.800 -0.112 0.000 1.202 172 D HN -0.013 nan 8.370 nan 0.000 0.561 173 P HA 0.046 nan 4.420 nan 0.000 0.255 173 P C 0.799 178.100 177.300 0.002 0.000 1.301 173 P CA 0.333 63.428 63.100 -0.007 0.000 0.817 173 P CB 0.006 31.722 31.700 0.027 0.000 1.259 174 T N -4.919 109.621 114.554 -0.024 0.000 3.054 174 T HA 0.215 4.565 4.350 -0.000 0.000 0.255 174 T C 1.669 176.352 174.700 -0.029 0.000 1.035 174 T CA -0.084 62.013 62.100 -0.006 0.000 0.941 174 T CB -0.737 68.126 68.868 -0.008 0.000 1.026 174 T HN -0.079 nan 8.240 nan 0.000 0.533 175 I N 0.254 120.764 120.570 -0.101 0.000 2.142 175 I HA -0.021 4.149 4.170 -0.000 0.000 0.240 175 I C 2.150 178.239 176.117 -0.047 0.000 1.078 175 I CA 1.595 62.794 61.300 -0.168 0.000 1.343 175 I CB -0.421 37.345 38.000 -0.390 0.000 1.046 175 I HN 0.200 nan 8.210 nan 0.000 0.405 176 F N 1.785 121.676 119.950 -0.100 0.000 2.186 176 F HA -0.263 4.265 4.527 0.000 0.000 0.299 176 F C 2.128 177.950 175.800 0.036 0.000 1.090 176 F CA 1.945 59.931 58.000 -0.023 0.000 1.307 176 F CB -0.180 38.803 39.000 -0.027 0.000 1.019 176 F HN 0.071 nan 8.300 nan 0.000 0.489 177 D N 0.007 120.523 120.400 0.193 0.000 2.097 177 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 177 D C 2.072 178.392 176.300 0.034 0.000 0.989 177 D CA 1.531 55.612 54.000 0.135 0.000 0.827 177 D CB -0.088 40.785 40.800 0.121 0.000 0.966 177 D HN 0.268 nan 8.370 nan 0.000 0.456 178 E N -0.380 119.827 120.200 0.011 0.000 2.158 178 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 178 E C 2.357 178.969 176.600 0.020 0.000 0.982 178 E CA 0.317 56.723 56.400 0.011 0.000 0.823 178 E CB 0.044 29.746 29.700 0.002 0.000 0.766 178 E HN 0.421 nan 8.360 nan 0.000 0.468 179 L N -0.157 121.055 121.223 -0.018 0.000 2.127 179 L HA -0.037 4.303 4.340 -0.000 0.000 0.203 179 L C 2.207 179.150 176.870 0.122 0.000 1.080 179 L CA 0.680 55.569 54.840 0.081 0.000 0.768 179 L CB 0.040 42.089 42.059 -0.017 0.000 0.924 179 L HN -0.042 nan 8.230 nan 0.000 0.444 180 V N -1.250 118.536 119.914 -0.213 0.000 2.948 180 V HA 0.177 4.297 4.120 -0.000 0.000 0.234 180 V C 2.323 178.312 176.094 -0.175 0.000 1.205 180 V CA 0.989 63.115 62.300 -0.291 0.000 1.234 180 V CB 0.151 31.428 31.823 -0.910 0.000 1.020 180 V HN 0.252 nan 8.190 nan 0.000 0.491 181 A N 0.025 122.743 122.820 -0.168 0.000 1.930 181 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 181 A C 2.090 179.711 177.584 0.061 0.000 1.175 181 A CA 1.684 53.768 52.037 0.079 0.000 0.627 181 A CB -0.381 18.762 19.000 0.238 0.000 0.815 181 A HN 0.478 nan 8.150 nan 0.000 0.443 182 K N -0.302 120.121 120.400 0.039 0.000 2.486 182 K HA 0.024 4.344 4.320 -0.000 0.000 0.194 182 K C 0.215 176.836 176.600 0.035 0.000 1.033 182 K CA 0.496 56.808 56.287 0.042 0.000 1.004 182 K CB 0.045 32.569 32.500 0.040 0.000 0.798 182 K HN 0.344 nan 8.250 nan 0.000 0.495 183 N N 0.440 119.159 118.700 0.032 0.000 2.200 183 N HA 0.023 4.763 4.740 -0.000 0.000 0.224 183 N C -0.540 174.983 175.510 0.020 0.000 1.179 183 N CA 0.133 53.197 53.050 0.022 0.000 0.877 183 N CB 1.151 39.652 38.487 0.024 0.000 1.072 183 N HN 0.098 nan 8.380 nan 0.000 0.519 184 S N -0.138 115.585 115.700 0.038 0.000 2.683 184 S HA 0.213 4.683 4.470 -0.000 0.000 0.269 184 S C -0.775 173.859 174.600 0.057 0.000 1.165 184 S CA -0.780 57.450 58.200 0.050 0.000 0.840 184 S CB 0.636 63.891 63.200 0.090 0.000 1.169 184 S HN 0.077 nan 8.310 nan 0.000 0.490 185 N N 0.513 119.248 118.700 0.058 0.000 2.321 185 N HA 0.258 4.998 4.740 -0.000 0.000 0.242 185 N C -0.553 174.999 175.510 0.070 0.000 1.141 185 N CA -0.360 52.723 53.050 0.056 0.000 0.864 185 N CB -0.417 38.092 38.487 0.036 0.000 1.100 185 N HN 0.619 nan 8.380 nan 0.000 0.510 186 L N 1.112 122.399 121.223 0.108 0.000 2.295 186 L HA 0.537 4.877 4.340 -0.000 0.000 0.285 186 L C 0.260 177.263 176.870 0.221 0.000 1.035 186 L CA -0.884 54.034 54.840 0.130 0.000 0.806 186 L CB 1.051 43.214 42.059 0.174 0.000 1.214 186 L HN 0.239 nan 8.230 nan 0.000 0.426 187 R N 2.272 122.839 120.500 0.111 0.000 2.626 187 R HA 0.556 4.896 4.340 -0.000 0.000 0.274 187 R C -1.760 174.477 176.300 -0.104 0.000 1.031 187 R CA -0.703 55.492 56.100 0.159 0.000 0.898 187 R CB 1.323 31.704 30.300 0.134 0.000 1.222 187 R HN 0.211 nan 8.270 nan 0.000 0.455 188 F N 1.240 121.096 119.950 -0.157 0.000 2.384 188 F HA 0.404 4.931 4.527 -0.000 0.000 0.338 188 F C 0.271 176.064 175.800 -0.012 0.000 1.103 188 F CA 0.078 57.976 58.000 -0.171 0.000 1.157 188 F CB 2.227 41.013 39.000 -0.358 0.000 1.167 188 F HN 0.511 nan 8.300 nan 0.000 0.529 189 S N 1.951 117.769 115.700 0.196 0.000 2.475 189 S HA 0.380 4.850 4.470 -0.000 0.000 0.298 189 S C -0.839 173.787 174.600 0.042 0.000 1.119 189 S CA -1.004 57.258 58.200 0.105 0.000 1.085 189 S CB 1.183 64.403 63.200 0.033 0.000 1.028 189 S HN 0.480 nan 8.310 nan 0.000 0.489 190 E N 1.518 121.666 120.200 -0.086 0.000 2.216 190 E HA 0.466 4.816 4.350 -0.000 0.000 0.279 190 E C -1.539 174.904 176.600 -0.261 0.000 0.997 190 E CA -0.870 55.288 56.400 -0.404 0.000 0.817 190 E CB 0.750 30.172 29.700 -0.463 0.000 1.096 190 E HN 0.538 nan 8.360 nan 0.000 0.393 191 D N 2.411 122.628 120.400 -0.304 0.000 2.336 191 D HA 0.188 4.828 4.640 -0.000 0.000 0.248 191 D C -0.727 175.470 176.300 -0.172 0.000 1.326 191 D CA -0.813 53.082 54.000 -0.175 0.000 0.973 191 D CB 0.544 41.275 40.800 -0.115 0.000 1.255 191 D HN 0.375 nan 8.370 nan 0.000 0.558 192 N N 1.921 120.538 118.700 -0.138 0.000 2.721 192 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 192 N C 1.244 176.685 175.510 -0.116 0.000 1.072 192 N CA 1.691 54.680 53.050 -0.102 0.000 0.710 192 N CB -0.794 37.652 38.487 -0.068 0.000 0.993 192 N HN 0.993 nan 8.380 nan 0.000 0.547 193 G N -3.495 105.192 108.800 -0.188 0.000 2.195 193 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 193 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 193 G C 0.172 174.976 174.900 -0.160 0.000 0.984 193 G CA 0.405 45.416 45.100 -0.148 0.000 0.633 193 G HN 0.582 nan 8.290 nan 0.000 0.525 194 S N -0.803 114.756 115.700 -0.234 0.000 2.681 194 S HA 0.840 5.310 4.470 -0.000 0.000 0.299 194 S C -0.978 173.409 174.600 -0.356 0.000 1.113 194 S CA -0.464 57.658 58.200 -0.130 0.000 1.013 194 S CB 1.460 64.640 63.200 -0.034 0.000 1.076 194 S HN 0.345 nan 8.310 nan 0.000 0.534 195 Y N 0.015 120.301 120.300 -0.023 0.000 2.406 195 Y HA 0.590 5.141 4.550 0.000 0.000 0.340 195 Y C -0.552 175.462 175.900 0.190 0.000 0.975 195 Y CA -0.838 57.275 58.100 0.022 0.000 1.056 195 Y CB 1.573 39.906 38.460 -0.211 0.000 1.210 195 Y HN 0.292 nan 8.280 nan 0.000 0.448 196 V N 4.670 124.798 119.914 0.357 0.000 2.588 196 V HA 0.456 4.576 4.120 -0.000 0.000 0.304 196 V C -0.943 175.149 176.094 -0.003 0.000 1.042 196 V CA -0.923 61.496 62.300 0.198 0.000 0.877 196 V CB 2.283 34.136 31.823 0.049 0.000 0.996 196 V HN 0.664 nan 8.190 nan 0.000 0.425 197 L N 5.300 126.298 121.223 -0.375 0.000 2.313 197 L HA 0.648 4.988 4.340 -0.000 0.000 0.283 197 L C -0.089 176.587 176.870 -0.323 0.000 1.013 197 L CA -0.409 54.026 54.840 -0.676 0.000 0.816 197 L CB 1.084 42.264 42.059 -1.464 0.000 1.236 197 L HN 0.605 nan 8.230 nan 0.000 0.419 198 R N 5.755 126.130 120.500 -0.208 0.000 2.229 198 R HA 0.440 4.780 4.340 -0.000 0.000 0.332 198 R C -0.638 175.600 176.300 -0.103 0.000 0.989 198 R CA -0.822 55.202 56.100 -0.127 0.000 0.842 198 R CB 1.259 31.511 30.300 -0.080 0.000 1.119 198 R HN 0.548 nan 8.270 nan 0.000 0.456 199 M N 4.588 124.137 119.600 -0.086 0.000 2.238 199 M HA 0.204 4.684 4.480 -0.000 0.000 0.347 199 M C -1.806 174.478 176.300 -0.026 0.000 1.173 199 M CA -2.282 52.990 55.300 -0.046 0.000 1.147 199 M CB 0.250 32.835 32.600 -0.026 0.000 1.547 199 M HN 0.346 nan 8.290 nan 0.000 0.455 200 P HA 0.155 nan 4.420 nan 0.000 0.274 200 P C -0.488 176.812 177.300 -0.000 0.000 1.256 200 P CA -0.434 62.664 63.100 -0.004 0.000 0.795 200 P CB 0.097 31.799 31.700 0.005 0.000 1.038 201 S N -0.157 115.542 115.700 -0.002 0.000 2.566 201 S HA 0.001 4.471 4.470 -0.000 0.000 0.280 201 S C 1.381 175.983 174.600 0.004 0.000 1.343 201 S CA 0.009 58.208 58.200 -0.001 0.000 1.036 201 S CB -0.363 62.835 63.200 -0.003 0.000 0.866 201 S HN 0.398 nan 8.310 nan 0.000 0.526 202 S N 1.796 117.498 115.700 0.004 0.000 2.383 202 S HA -0.136 4.333 4.470 -0.000 0.000 0.229 202 S C 1.663 176.262 174.600 -0.001 0.000 1.030 202 S CA 1.760 59.963 58.200 0.005 0.000 1.002 202 S CB -0.607 62.595 63.200 0.003 0.000 0.829 202 S HN 0.865 nan 8.310 nan 0.000 0.467 203 E N 0.541 120.738 120.200 -0.004 0.000 2.265 203 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 203 E C 1.799 178.396 176.600 -0.006 0.000 0.996 203 E CA 0.729 57.125 56.400 -0.007 0.000 0.832 203 E CB 0.015 29.710 29.700 -0.008 0.000 0.756 203 E HN 0.137 nan 8.360 nan 0.000 0.491 204 R N -0.204 120.295 120.500 -0.002 0.000 2.397 204 R HA 0.292 4.632 4.340 -0.000 0.000 0.241 204 R C -0.211 176.091 176.300 0.004 0.000 0.914 204 R CA -0.149 55.950 56.100 -0.000 0.000 1.071 204 R CB 0.261 30.561 30.300 0.000 0.000 1.116 204 R HN 0.098 nan 8.270 nan 0.000 0.524 205 I N 1.740 122.314 120.570 0.007 0.000 2.683 205 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 205 I C 0.104 176.224 176.117 0.004 0.000 1.175 205 I CA 0.868 62.176 61.300 0.015 0.000 1.429 205 I CB 0.474 38.486 38.000 0.020 0.000 1.371 205 I HN 0.059 nan 8.210 nan 0.000 0.569 206 E N 7.500 127.707 120.200 0.011 0.000 2.171 206 E HA 0.656 5.006 4.350 -0.000 0.000 0.271 206 E C -0.885 175.715 176.600 0.000 0.000 0.916 206 E CA -0.654 55.747 56.400 0.001 0.000 0.774 206 E CB 2.203 31.907 29.700 0.006 0.000 1.128 206 E HN 0.461 nan 8.360 nan 0.000 0.403 207 I N -0.360 120.195 120.570 -0.024 0.000 2.722 207 I HA 0.456 4.627 4.170 -0.000 0.000 0.295 207 I C -0.716 175.370 176.117 -0.051 0.000 1.161 207 I CA -1.360 59.915 61.300 -0.041 0.000 1.032 207 I CB 1.912 39.856 38.000 -0.092 0.000 1.244 207 I HN 0.228 nan 8.210 nan 0.000 0.421 208 N N 4.817 123.488 118.700 -0.049 0.000 2.406 208 N HA 0.052 4.792 4.740 -0.000 0.000 0.265 208 N C 0.838 176.305 175.510 -0.072 0.000 1.203 208 N CA -0.133 52.889 53.050 -0.046 0.000 0.945 208 N CB 0.998 39.468 38.487 -0.029 0.000 1.165 208 N HN 0.839 nan 8.380 nan 0.000 0.485 209 K N 1.383 121.745 120.400 -0.063 0.000 2.442 209 K HA -0.107 4.213 4.320 -0.000 0.000 0.198 209 K C 1.177 177.737 176.600 -0.067 0.000 1.042 209 K CA 1.206 57.447 56.287 -0.075 0.000 0.958 209 K CB -0.069 32.395 32.500 -0.060 0.000 0.766 209 K HN 0.457 nan 8.250 nan 0.000 0.474 210 S N -0.001 115.671 115.700 -0.047 0.000 2.481 210 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 210 S C 1.566 176.146 174.600 -0.033 0.000 0.996 210 S CA 0.271 58.454 58.200 -0.029 0.000 0.942 210 S CB 0.138 63.333 63.200 -0.008 0.000 0.768 210 S HN 0.235 nan 8.310 nan 0.000 0.520 211 K N -0.016 120.340 120.400 -0.074 0.000 2.443 211 K HA 0.502 4.822 4.320 -0.000 0.000 0.200 211 K C 0.178 176.587 176.600 -0.318 0.000 1.278 211 K CA 0.316 56.538 56.287 -0.109 0.000 0.925 211 K CB 0.583 33.043 32.500 -0.066 0.000 1.225 211 K HN 0.385 nan 8.250 nan 0.000 0.514 212 I N 1.508 121.877 120.570 -0.335 0.000 2.608 212 I HA 0.363 4.533 4.170 -0.000 0.000 0.295 212 I C -0.761 175.158 176.117 -0.329 0.000 1.049 212 I CA -0.665 60.345 61.300 -0.484 0.000 1.063 212 I CB 2.226 39.935 38.000 -0.485 0.000 1.248 212 I HN -0.177 nan 8.210 nan 0.000 0.424 213 M N 6.074 125.472 119.600 -0.336 0.000 2.465 213 M HA 0.610 5.090 4.480 -0.000 0.000 0.316 213 M C -1.053 175.028 176.300 -0.365 0.000 1.121 213 M CA -0.503 54.633 55.300 -0.273 0.000 0.934 213 M CB 2.810 35.297 32.600 -0.187 0.000 1.692 213 M HN 0.344 nan 8.290 nan 0.000 0.444 214 I N 2.223 122.605 120.570 -0.314 0.000 2.569 214 I HA 0.593 4.763 4.170 -0.000 0.000 0.296 214 I C -0.400 175.624 176.117 -0.155 0.000 1.028 214 I CA -0.957 60.159 61.300 -0.307 0.000 1.082 214 I CB 1.842 39.645 38.000 -0.329 0.000 1.264 214 I HN 0.600 nan 8.210 nan 0.000 0.429 215 R N 2.545 122.984 120.500 -0.101 0.000 2.888 215 R HA 0.465 4.805 4.340 -0.000 0.000 0.264 215 R C 0.444 176.729 176.300 -0.024 0.000 1.045 215 R CA -0.793 55.276 56.100 -0.051 0.000 0.962 215 R CB 1.699 31.980 30.300 -0.033 0.000 1.210 215 R HN 0.518 nan 8.270 nan 0.000 0.479 216 S N 0.564 116.254 115.700 -0.015 0.000 2.406 216 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 216 S C 1.031 175.635 174.600 0.007 0.000 1.020 216 S CA 1.162 59.359 58.200 -0.006 0.000 0.965 216 S CB -0.020 63.171 63.200 -0.015 0.000 0.798 216 S HN 0.525 nan 8.310 nan 0.000 0.488 217 M N -0.066 119.542 119.600 0.013 0.000 2.619 217 M HA 0.537 5.017 4.480 -0.000 0.000 0.297 217 M C 0.741 177.074 176.300 0.055 0.000 1.229 217 M CA -0.805 54.515 55.300 0.033 0.000 0.860 217 M CB 1.470 34.090 32.600 0.034 0.000 1.741 217 M HN -0.137 nan 8.290 nan 0.000 0.462 218 E N 1.994 122.242 120.200 0.079 0.000 2.160 218 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 218 E C 1.307 177.996 176.600 0.148 0.000 0.991 218 E CA 1.717 58.188 56.400 0.119 0.000 0.810 218 E CB -0.385 29.363 29.700 0.079 0.000 0.742 218 E HN 0.858 nan 8.360 nan 0.000 0.466 219 M N 0.855 120.530 119.600 0.124 0.000 2.279 219 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 219 M C 1.794 178.122 176.300 0.047 0.000 1.062 219 M CA 1.166 56.526 55.300 0.101 0.000 1.099 219 M CB -0.822 31.843 32.600 0.109 0.000 1.394 219 M HN 0.174 nan 8.290 nan 0.000 0.426 220 E N 0.333 120.556 120.200 0.039 0.000 2.338 220 E HA -0.064 4.286 4.350 -0.000 0.000 0.197 220 E C 1.991 178.583 176.600 -0.013 0.000 1.007 220 E CA 0.529 56.941 56.400 0.020 0.000 0.849 220 E CB -0.146 29.562 29.700 0.014 0.000 0.774 220 E HN 0.489 nan 8.360 nan 0.000 0.506 221 L N 0.452 121.643 121.223 -0.053 0.000 2.291 221 L HA -0.076 4.264 4.340 -0.000 0.000 0.214 221 L C 2.163 178.736 176.870 -0.495 0.000 1.120 221 L CA 0.397 55.105 54.840 -0.221 0.000 0.799 221 L CB -0.255 41.734 42.059 -0.116 0.000 0.925 221 L HN 0.165 nan 8.230 nan 0.000 0.446 222 I N -0.275 120.091 120.570 -0.341 0.000 2.163 222 I HA -0.383 3.787 4.170 -0.000 0.000 0.243 222 I C 2.736 178.794 176.117 -0.099 0.000 1.085 222 I CA 1.667 62.798 61.300 -0.282 0.000 1.347 222 I CB -0.629 37.323 38.000 -0.081 0.000 1.044 222 I HN 0.412 nan 8.210 nan 0.000 0.408 223 H N 1.754 120.754 119.070 -0.117 0.000 2.387 223 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 223 H C 2.238 177.509 175.328 -0.096 0.000 1.099 223 H CA 1.570 57.576 56.048 -0.070 0.000 1.315 223 H CB -0.016 29.713 29.762 -0.056 0.000 1.380 223 H HN 0.309 nan 8.280 nan 0.000 0.513 224 L N 0.481 121.446 121.223 -0.429 0.000 2.093 224 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 224 L C 2.881 179.549 176.870 -0.337 0.000 1.085 224 L CA 0.785 55.342 54.840 -0.473 0.000 0.755 224 L CB -0.261 41.606 42.059 -0.321 0.000 0.904 224 L HN 0.154 nan 8.230 nan 0.000 0.435 225 V N -0.236 119.472 119.914 -0.343 0.000 2.323 225 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 225 V C 2.299 178.359 176.094 -0.056 0.000 1.041 225 V CA 1.600 63.762 62.300 -0.229 0.000 1.025 225 V CB -0.470 31.107 31.823 -0.410 0.000 0.656 225 V HN 0.427 nan 8.190 nan 0.000 0.451 226 E N 0.971 121.178 120.200 0.010 0.000 2.160 226 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 226 E C 2.204 178.790 176.600 -0.024 0.000 0.991 226 E CA 1.655 58.081 56.400 0.042 0.000 0.810 226 E CB -0.207 29.532 29.700 0.064 0.000 0.742 226 E HN 0.739 nan 8.360 nan 0.000 0.466 227 S N -1.168 114.469 115.700 -0.105 0.000 2.558 227 S HA 0.167 4.637 4.470 -0.000 0.000 0.217 227 S C 1.589 176.129 174.600 -0.099 0.000 0.975 227 S CA 0.379 58.516 58.200 -0.106 0.000 0.912 227 S CB 0.632 63.711 63.200 -0.201 0.000 0.776 227 S HN 0.385 nan 8.310 nan 0.000 0.526 228 G N 1.140 109.879 108.800 -0.102 0.000 2.175 228 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 228 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 228 G C 0.742 175.583 174.900 -0.098 0.000 0.982 228 G CA 0.327 45.376 45.100 -0.084 0.000 0.641 228 G HN 0.446 nan 8.290 nan 0.000 0.527 229 E N -0.278 119.841 120.200 -0.135 0.000 2.208 229 E HA 0.147 4.497 4.350 -0.000 0.000 0.193 229 E C 1.363 177.901 176.600 -0.104 0.000 0.988 229 E CA 0.634 56.962 56.400 -0.121 0.000 0.828 229 E CB 0.154 29.763 29.700 -0.152 0.000 0.763 229 E HN 0.615 nan 8.360 nan 0.000 0.478 230 L N 0.863 122.012 121.223 -0.122 0.000 2.342 230 L HA 0.226 4.566 4.340 -0.000 0.000 0.271 230 L C 0.902 177.726 176.870 -0.077 0.000 1.008 230 L CA -0.610 54.184 54.840 -0.077 0.000 0.818 230 L CB 1.773 43.773 42.059 -0.099 0.000 1.296 230 L HN -0.208 nan 8.230 nan 0.000 0.427 231 D N 0.716 121.099 120.400 -0.027 0.000 2.201 231 D HA 0.026 4.666 4.640 -0.000 0.000 0.209 231 D C -0.474 175.559 176.300 -0.445 0.000 0.961 231 D CA 1.529 55.409 54.000 -0.201 0.000 0.861 231 D CB 0.456 41.212 40.800 -0.073 0.000 0.997 231 D HN 0.252 nan 8.370 nan 0.000 0.486 232 Y N -0.786 119.613 120.300 0.166 0.000 2.553 232 Y HA 0.412 4.962 4.550 0.000 0.000 0.347 232 Y C -0.496 175.567 175.900 0.272 0.000 1.019 232 Y CA -1.421 56.791 58.100 0.186 0.000 1.032 232 Y CB 1.931 40.433 38.460 0.071 0.000 1.284 232 Y HN -0.214 nan 8.280 nan 0.000 0.466 233 F N -0.693 119.275 119.950 0.030 0.000 2.619 233 F HA 0.727 5.254 4.527 0.000 0.000 0.308 233 F C -1.931 173.794 175.800 -0.126 0.000 1.097 233 F CA -1.635 56.377 58.000 0.020 0.000 0.953 233 F CB 1.202 40.178 39.000 -0.041 0.000 1.287 233 F HN 0.219 nan 8.300 nan 0.000 0.446 234 F N 3.939 123.940 119.950 0.085 0.000 2.438 234 F HA 0.620 5.147 4.527 0.000 0.000 0.356 234 F C -0.036 175.546 175.800 -0.363 0.000 1.099 234 F CA -0.304 57.605 58.000 -0.152 0.000 1.185 234 F CB 1.332 40.318 39.000 -0.024 0.000 1.115 234 F HN 0.503 nan 8.300 nan 0.000 0.526 235 I N 2.744 123.071 120.570 -0.406 0.000 2.947 235 I HA 0.353 4.523 4.170 -0.000 0.000 0.301 235 I C -1.586 174.264 176.117 -0.445 0.000 1.453 235 I CA -1.196 59.774 61.300 -0.550 0.000 0.984 235 I CB 1.168 38.569 38.000 -0.998 0.000 1.333 235 I HN 0.266 nan 8.210 nan 0.000 0.475 236 Y N 4.115 124.316 120.300 -0.165 0.000 2.497 236 Y HA 0.162 4.712 4.550 -0.000 0.000 0.334 236 Y C 1.647 177.406 175.900 -0.235 0.000 1.199 236 Y CA 0.419 58.433 58.100 -0.143 0.000 1.425 236 Y CB 0.408 38.848 38.460 -0.034 0.000 1.291 236 Y HN 0.576 nan 8.280 nan 0.000 0.562 237 K N 0.893 121.217 120.400 -0.127 0.000 2.103 237 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 237 K C 2.052 178.532 176.600 -0.200 0.000 1.048 237 K CA 1.711 57.772 56.287 -0.376 0.000 0.930 237 K CB -0.101 32.158 32.500 -0.400 0.000 0.716 237 K HN 0.837 nan 8.250 nan 0.000 0.444 238 S N -0.060 115.608 115.700 -0.053 0.000 2.370 238 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 238 S C 2.007 176.644 174.600 0.063 0.000 1.033 238 S CA 1.496 59.688 58.200 -0.014 0.000 1.011 238 S CB -0.632 62.546 63.200 -0.036 0.000 0.852 238 S HN 0.134 nan 8.310 nan 0.000 0.457 239 V N 2.562 122.556 119.914 0.133 0.000 2.379 239 V HA -0.019 4.101 4.120 -0.000 0.000 0.245 239 V C 3.161 179.438 176.094 0.303 0.000 1.044 239 V CA 1.395 63.850 62.300 0.258 0.000 1.036 239 V CB -1.531 30.459 31.823 0.279 0.000 0.664 239 V HN 0.667 nan 8.190 nan 0.000 0.453 240 A N 0.018 122.915 122.820 0.129 0.000 1.883 240 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 240 A C 2.304 180.067 177.584 0.298 0.000 1.186 240 A CA 2.204 54.377 52.037 0.227 0.000 0.624 240 A CB -0.445 18.495 19.000 -0.100 0.000 0.822 240 A HN 0.544 nan 8.150 nan 0.000 0.444 241 K N -0.798 119.685 120.400 0.139 0.000 2.057 241 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 241 K C 2.323 178.987 176.600 0.105 0.000 1.050 241 K CA 1.542 57.918 56.287 0.148 0.000 0.935 241 K CB -0.208 32.347 32.500 0.091 0.000 0.715 241 K HN 0.605 nan 8.250 nan 0.000 0.439 242 Q N -0.244 119.616 119.800 0.099 0.000 2.181 242 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 242 Q C 1.240 177.157 176.000 -0.138 0.000 0.980 242 Q CA 1.175 56.971 55.803 -0.013 0.000 0.862 242 Q CB 0.057 28.801 28.738 0.010 0.000 0.905 242 Q HN 0.455 nan 8.270 nan 0.000 0.429 243 H N -1.916 117.209 119.070 0.092 0.000 2.542 243 H HA 0.217 4.773 4.556 -0.000 0.000 0.283 243 H C 0.729 175.910 175.328 -0.244 0.000 1.059 243 H CA 0.566 56.605 56.048 -0.015 0.000 1.162 243 H CB 1.090 30.941 29.762 0.149 0.000 1.539 243 H HN 0.425 nan 8.280 nan 0.000 0.543 244 G N 1.268 110.047 108.800 -0.035 0.000 2.147 244 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 244 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 244 G C -0.216 174.600 174.900 -0.139 0.000 1.005 244 G CA -0.160 44.879 45.100 -0.102 0.000 0.713 244 G HN 0.168 nan 8.290 nan 0.000 0.515 245 F N 1.103 121.130 119.950 0.128 0.000 2.382 245 F HA 0.419 4.946 4.527 0.000 0.000 0.331 245 F C 1.176 176.983 175.800 0.012 0.000 1.121 245 F CA -0.965 57.084 58.000 0.081 0.000 1.183 245 F CB 0.548 39.655 39.000 0.179 0.000 1.207 245 F HN 0.003 nan 8.300 nan 0.000 0.555 246 N N 2.012 120.688 118.700 -0.040 0.000 2.415 246 N HA 0.322 5.062 4.740 -0.000 0.000 0.248 246 N C -0.885 174.461 175.510 -0.272 0.000 1.271 246 N CA 0.170 52.971 53.050 -0.415 0.000 0.913 246 N CB 0.665 38.535 38.487 -1.028 0.000 1.129 246 N HN 0.509 nan 8.380 nan 0.000 0.444 247 F N -3.245 116.575 119.950 -0.216 0.000 2.654 247 F HA 0.470 4.997 4.527 -0.000 0.000 0.308 247 F C -1.018 174.877 175.800 0.158 0.000 1.108 247 F CA -1.364 56.642 58.000 0.011 0.000 0.957 247 F CB 0.492 39.467 39.000 -0.041 0.000 1.309 247 F HN 0.014 nan 8.300 nan 0.000 0.446 248 V N 1.594 121.730 119.914 0.370 0.000 2.432 248 V HA 0.248 4.368 4.120 -0.000 0.000 0.271 248 V C -0.047 176.142 176.094 0.158 0.000 1.046 248 V CA -0.308 62.093 62.300 0.169 0.000 0.945 248 V CB 0.969 32.809 31.823 0.029 0.000 0.992 248 V HN 0.818 nan 8.190 nan 0.000 0.471 249 E N 4.467 124.759 120.200 0.154 0.000 2.223 249 E HA 0.399 4.749 4.350 -0.000 0.000 0.282 249 E C -0.658 175.934 176.600 -0.013 0.000 1.046 249 E CA -0.239 56.236 56.400 0.126 0.000 0.857 249 E CB 0.637 30.429 29.700 0.153 0.000 1.055 249 E HN 0.571 nan 8.360 nan 0.000 0.409 250 L N 5.904 127.067 121.223 -0.100 0.000 2.421 250 L HA 0.432 4.772 4.340 -0.000 0.000 0.263 250 L C -1.942 174.859 176.870 -0.115 0.000 1.122 250 L CA -2.431 52.316 54.840 -0.155 0.000 0.804 250 L CB 0.547 42.449 42.059 -0.262 0.000 1.150 250 L HN 0.481 nan 8.230 nan 0.000 0.457 251 P HA -0.091 nan 4.420 nan 0.000 0.265 251 P C 0.714 177.813 177.300 -0.336 0.000 1.187 251 P CA 0.123 63.020 63.100 -0.338 0.000 0.766 251 P CB 0.681 31.884 31.700 -0.828 0.000 0.820 252 V N 3.027 122.735 119.914 -0.344 0.000 2.568 252 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 252 V C 1.530 177.356 176.094 -0.447 0.000 1.072 252 V CA 2.072 64.148 62.300 -0.373 0.000 1.084 252 V CB -0.910 30.632 31.823 -0.468 0.000 0.676 252 V HN 0.508 nan 8.190 nan 0.000 0.469 253 E N 0.189 120.047 120.200 -0.571 0.000 2.409 253 E HA -0.055 4.295 4.350 -0.000 0.000 0.198 253 E C 1.659 178.238 176.600 -0.034 0.000 1.024 253 E CA 1.549 57.737 56.400 -0.353 0.000 0.861 253 E CB -0.088 29.397 29.700 -0.357 0.000 0.788 253 E HN 0.926 nan 8.360 nan 0.000 0.521 254 I N -2.988 117.515 120.570 -0.111 0.000 4.439 254 I HA 0.187 4.357 4.170 -0.000 0.000 0.331 254 I C 0.602 176.648 176.117 -0.118 0.000 1.345 254 I CA -0.065 61.210 61.300 -0.043 0.000 1.193 254 I CB 0.592 38.556 38.000 -0.060 0.000 1.221 254 I HN -0.158 nan 8.210 nan 0.000 0.429 255 D N 1.859 122.166 120.400 -0.154 0.000 2.340 255 D HA 0.090 4.730 4.640 -0.000 0.000 0.217 255 D C 1.153 177.276 176.300 -0.295 0.000 1.081 255 D CA -0.208 53.676 54.000 -0.192 0.000 0.842 255 D CB -0.044 40.672 40.800 -0.141 0.000 0.934 255 D HN 0.464 nan 8.370 nan 0.000 0.511 256 L N 0.147 120.958 121.223 -0.687 0.000 4.291 256 L HA -0.287 4.053 4.340 -0.000 0.000 0.413 256 L C 1.382 178.031 176.870 -0.370 0.000 1.162 256 L CA 0.706 54.937 54.840 -1.014 0.000 0.961 256 L CB -2.520 39.229 42.059 -0.515 0.000 2.095 256 L HN 0.280 nan 8.230 nan 0.000 0.838 257 S N -2.997 112.653 115.700 -0.083 0.000 2.470 257 S HA 0.129 4.599 4.470 -0.000 0.000 0.222 257 S C 0.780 175.493 174.600 0.188 0.000 1.024 257 S CA 0.544 58.781 58.200 0.062 0.000 0.931 257 S CB 0.814 64.036 63.200 0.038 0.000 0.791 257 S HN 0.420 nan 8.310 nan 0.000 0.513 258 S N 2.001 117.925 115.700 0.375 0.000 2.500 258 S HA 0.532 5.002 4.470 -0.000 0.000 0.301 258 S C -2.189 172.613 174.600 0.337 0.000 1.092 258 S CA -1.800 56.599 58.200 0.332 0.000 1.030 258 S CB 1.823 65.254 63.200 0.384 0.000 1.031 258 S HN 0.041 nan 8.310 nan 0.000 0.483 259 P HA -0.026 nan 4.420 nan 0.000 0.222 259 P C 0.315 177.633 177.300 0.032 0.000 1.147 259 P CA 0.897 64.072 63.100 0.126 0.000 0.790 259 P CB 0.068 31.816 31.700 0.079 0.000 0.780 260 D N -1.356 119.043 120.400 -0.001 0.000 2.348 260 D HA -0.086 4.554 4.640 -0.000 0.000 0.216 260 D C 0.671 176.659 176.300 -0.520 0.000 0.970 260 D CA 0.930 54.783 54.000 -0.245 0.000 0.889 260 D CB -0.331 40.275 40.800 -0.323 0.000 0.912 260 D HN 0.356 nan 8.370 nan 0.000 0.524 261 Y N -0.465 119.679 120.300 -0.260 0.000 2.696 261 Y HA 0.409 4.959 4.550 0.000 0.000 0.260 261 Y C 1.799 177.214 175.900 -0.808 0.000 1.165 261 Y CA -0.491 57.284 58.100 -0.541 0.000 1.189 261 Y CB 0.241 38.290 38.460 -0.685 0.000 1.180 261 Y HN -0.129 nan 8.280 nan 0.000 0.538 262 A N 0.280 122.921 122.820 -0.299 0.000 1.940 262 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 262 A C 2.114 179.650 177.584 -0.080 0.000 1.176 262 A CA 2.135 54.108 52.037 -0.107 0.000 0.631 262 A CB -0.305 18.715 19.000 0.034 0.000 0.814 262 A HN 0.552 nan 8.150 nan 0.000 0.446 263 E N -0.204 119.934 120.200 -0.102 0.000 2.110 263 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 263 E C 1.905 178.487 176.600 -0.030 0.000 0.988 263 E CA 0.994 57.366 56.400 -0.046 0.000 0.804 263 E CB -0.182 29.487 29.700 -0.051 0.000 0.745 263 E HN 0.661 nan 8.360 nan 0.000 0.458 264 L N -0.068 121.105 121.223 -0.084 0.000 2.056 264 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 264 L C 2.348 179.268 176.870 0.084 0.000 1.078 264 L CA 0.877 55.709 54.840 -0.013 0.000 0.749 264 L CB -0.585 41.467 42.059 -0.011 0.000 0.901 264 L HN 0.248 nan 8.230 nan 0.000 0.433 265 Y N 0.428 120.770 120.300 0.070 0.000 2.274 265 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 265 Y C 3.005 178.928 175.900 0.039 0.000 1.145 265 Y CA 0.837 58.965 58.100 0.047 0.000 1.203 265 Y CB -1.276 37.222 38.460 0.064 0.000 0.984 265 Y HN 0.294 nan 8.280 nan 0.000 0.533 266 S N -0.663 115.147 115.700 0.182 0.000 2.603 266 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 266 S C 1.530 176.186 174.600 0.093 0.000 0.972 266 S CA 0.189 58.461 58.200 0.121 0.000 0.935 266 S CB -0.167 63.084 63.200 0.085 0.000 0.769 266 S HN 0.168 nan 8.310 nan 0.000 0.536 267 K N 1.625 122.084 120.400 0.099 0.000 2.439 267 K HA 0.140 4.460 4.320 -0.000 0.000 0.197 267 K C 0.863 177.535 176.600 0.120 0.000 1.041 267 K CA 0.416 56.765 56.287 0.104 0.000 0.970 267 K CB -0.410 32.160 32.500 0.116 0.000 0.773 267 K HN 0.634 nan 8.250 nan 0.000 0.479 268 V N -1.842 118.121 119.914 0.083 0.000 2.680 268 V HA 0.593 4.713 4.120 -0.000 0.000 0.309 268 V C -0.615 175.554 176.094 0.126 0.000 1.052 268 V CA -1.085 61.263 62.300 0.080 0.000 0.908 268 V CB 2.203 33.979 31.823 -0.078 0.000 1.001 268 V HN -0.055 nan 8.190 nan 0.000 0.431 269 K N 2.556 123.075 120.400 0.198 0.000 2.502 269 K HA 0.830 5.150 4.320 -0.000 0.000 0.257 269 K C -1.825 174.824 176.600 0.080 0.000 0.938 269 K CA -0.790 55.554 56.287 0.095 0.000 0.819 269 K CB 2.922 35.446 32.500 0.040 0.000 1.333 269 K HN 0.596 nan 8.250 nan 0.000 0.434 270 V N 2.060 121.936 119.914 -0.064 0.000 2.588 270 V HA 0.301 4.421 4.120 -0.000 0.000 0.304 270 V C -0.647 175.340 176.094 -0.177 0.000 1.042 270 V CA -0.982 61.226 62.300 -0.153 0.000 0.877 270 V CB 1.919 33.641 31.823 -0.169 0.000 0.996 270 V HN 0.484 nan 8.190 nan 0.000 0.425 271 V N 6.289 126.114 119.914 -0.149 0.000 2.334 271 V HA 0.347 4.467 4.120 -0.000 0.000 0.267 271 V C 0.342 176.370 176.094 -0.111 0.000 1.040 271 V CA -0.332 61.895 62.300 -0.122 0.000 0.866 271 V CB 0.834 32.603 31.823 -0.090 0.000 1.019 271 V HN 0.621 nan 8.190 nan 0.000 0.468 272 L N 3.466 124.621 121.223 -0.113 0.000 2.476 272 L HA 0.249 4.590 4.340 -0.000 0.000 0.264 272 L C 1.946 178.789 176.870 -0.044 0.000 1.224 272 L CA 0.087 54.886 54.840 -0.068 0.000 0.821 272 L CB 0.247 42.270 42.059 -0.061 0.000 1.101 272 L HN 0.689 nan 8.230 nan 0.000 0.488 273 A N 1.508 124.315 122.820 -0.021 0.000 2.070 273 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 273 A C 1.599 179.173 177.584 -0.017 0.000 1.159 273 A CA 1.673 53.700 52.037 -0.016 0.000 0.656 273 A CB -0.775 18.223 19.000 -0.005 0.000 0.800 273 A HN 0.930 nan 8.150 nan 0.000 0.453 274 N N -0.974 117.715 118.700 -0.018 0.000 2.449 274 N HA 0.223 4.963 4.740 -0.000 0.000 0.191 274 N C 1.002 176.498 175.510 -0.023 0.000 1.161 274 N CA 1.151 54.191 53.050 -0.017 0.000 0.863 274 N CB -0.366 38.113 38.487 -0.014 0.000 0.980 274 N HN 0.726 nan 8.380 nan 0.000 0.458 275 G N -0.446 108.335 108.800 -0.032 0.000 2.217 275 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.246 275 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.246 275 G C -0.205 174.666 174.900 -0.048 0.000 0.990 275 G CA 0.120 45.198 45.100 -0.036 0.000 0.627 275 G HN 0.373 nan 8.290 nan 0.000 0.522 276 K N 1.225 121.589 120.400 -0.059 0.000 2.270 276 K HA 0.442 4.762 4.320 -0.000 0.000 0.276 276 K C 0.190 176.722 176.600 -0.112 0.000 1.023 276 K CA -0.356 55.884 56.287 -0.079 0.000 0.955 276 K CB 1.557 34.007 32.500 -0.083 0.000 0.975 276 K HN 0.589 nan 8.250 nan 0.000 0.471 277 E N 1.950 122.083 120.200 -0.112 0.000 2.156 277 E HA 0.262 4.612 4.350 -0.000 0.000 0.279 277 E C -0.802 175.692 176.600 -0.176 0.000 0.965 277 E CA -0.818 55.502 56.400 -0.133 0.000 0.789 277 E CB 1.033 30.680 29.700 -0.088 0.000 1.098 277 E HN 0.337 nan 8.360 nan 0.000 0.397 278 V N 1.491 121.249 119.914 -0.259 0.000 2.581 278 V HA 0.621 4.741 4.120 -0.000 0.000 0.303 278 V C -0.177 175.801 176.094 -0.194 0.000 1.041 278 V CA -0.643 61.474 62.300 -0.304 0.000 0.907 278 V CB 1.668 33.103 31.823 -0.646 0.000 0.994 278 V HN 0.611 nan 8.190 nan 0.000 0.442 279 T N 3.176 117.666 114.554 -0.106 0.000 2.895 279 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 279 T C 0.576 175.293 174.700 0.028 0.000 1.014 279 T CA 0.186 62.274 62.100 -0.020 0.000 1.037 279 T CB 1.510 70.381 68.868 0.006 0.000 1.006 279 T HN 1.331 nan 8.240 nan 0.000 0.468 280 G N 2.481 111.322 108.800 0.069 0.000 2.272 280 G HA2 0.395 4.355 3.960 -0.000 0.000 0.247 280 G HA3 0.395 4.355 3.960 -0.000 0.000 0.247 280 G C -0.504 174.492 174.900 0.159 0.000 1.272 280 G CA 0.078 45.237 45.100 0.098 0.000 0.921 280 G HN 0.592 nan 8.290 nan 0.000 0.495 281 K N 2.773 123.257 120.400 0.141 0.000 2.556 281 K HA 0.331 4.651 4.320 -0.000 0.000 0.274 281 K C -2.819 173.897 176.600 0.193 0.000 0.966 281 K CA -1.809 54.612 56.287 0.223 0.000 0.865 281 K CB 2.745 35.348 32.500 0.172 0.000 1.444 281 K HN 0.175 nan 8.250 nan 0.000 0.433 282 P HA 0.034 nan 4.420 nan 0.000 0.265 282 P C -0.611 176.792 177.300 0.170 0.000 1.193 282 P CA 0.147 63.398 63.100 0.252 0.000 0.765 282 P CB 0.267 32.148 31.700 0.301 0.000 0.823 283 I N 3.221 123.858 120.570 0.113 0.000 2.505 283 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 283 I C 0.027 176.248 176.117 0.174 0.000 1.104 283 I CA 0.448 61.831 61.300 0.139 0.000 1.387 283 I CB 0.181 38.264 38.000 0.139 0.000 1.404 283 I HN 0.011 nan 8.210 nan 0.000 0.528 284 V N 7.513 127.564 119.914 0.229 0.000 2.569 284 V HA 0.318 4.438 4.120 -0.000 0.000 0.301 284 V C -0.480 175.766 176.094 0.253 0.000 1.044 284 V CA -0.756 61.670 62.300 0.211 0.000 0.874 284 V CB 1.584 33.502 31.823 0.159 0.000 1.002 284 V HN 0.423 nan 8.190 nan 0.000 0.424 285 Y N 1.975 122.124 120.300 -0.252 0.000 2.300 285 Y HA 0.660 5.210 4.550 -0.000 0.000 0.328 285 Y C 1.071 176.858 175.900 -0.188 0.000 1.270 285 Y CA -0.142 57.737 58.100 -0.369 0.000 1.352 285 Y CB 1.647 39.575 38.460 -0.887 0.000 1.286 285 Y HN 0.710 nan 8.280 nan 0.000 0.536 286 G N 1.575 110.495 108.800 0.200 0.000 2.563 286 G HA2 0.644 4.604 3.960 -0.000 0.000 0.302 286 G HA3 0.644 4.604 3.960 -0.000 0.000 0.302 286 G C -2.119 173.073 174.900 0.487 0.000 1.301 286 G CA -0.631 44.700 45.100 0.385 0.000 0.965 286 G HN 0.604 nan 8.290 nan 0.000 0.480 287 I N 0.149 120.989 120.570 0.450 0.000 2.769 287 I HA 0.788 4.958 4.170 -0.000 0.000 0.298 287 I C -0.666 175.543 176.117 0.153 0.000 1.128 287 I CA -0.468 61.013 61.300 0.301 0.000 1.031 287 I CB 2.621 40.761 38.000 0.234 0.000 1.235 287 I HN 0.667 nan 8.210 nan 0.000 0.423 288 T N 6.258 120.781 114.554 -0.051 0.000 2.816 288 T HA 0.594 4.944 4.350 -0.000 0.000 0.299 288 T C -1.423 173.060 174.700 -0.362 0.000 1.230 288 T CA -0.471 61.320 62.100 -0.516 0.000 1.007 288 T CB 1.336 69.854 68.868 -0.584 0.000 1.289 288 T HN 0.365 nan 8.240 nan 0.000 0.508 289 I N 3.776 124.018 120.570 -0.546 0.000 2.330 289 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 289 I C -2.228 173.753 176.117 -0.227 0.000 1.001 289 I CA -2.338 58.849 61.300 -0.189 0.000 1.193 289 I CB 1.943 40.003 38.000 0.099 0.000 1.345 289 I HN 0.436 nan 8.210 nan 0.000 0.461 290 P HA 0.076 nan 4.420 nan 0.000 0.268 290 P C 0.266 177.553 177.300 -0.023 0.000 1.208 290 P CA -0.216 62.844 63.100 -0.067 0.000 0.777 290 P CB 0.678 32.364 31.700 -0.024 0.000 0.875 291 K N 1.494 121.898 120.400 0.006 0.000 2.209 291 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 291 K C 1.045 177.660 176.600 0.024 0.000 1.048 291 K CA 1.678 57.970 56.287 0.007 0.000 0.940 291 K CB -0.402 32.082 32.500 -0.026 0.000 0.729 291 K HN 0.628 nan 8.250 nan 0.000 0.451 292 N N -0.102 118.633 118.700 0.057 0.000 2.251 292 N HA 0.159 4.899 4.740 -0.000 0.000 0.217 292 N C -0.266 175.258 175.510 0.024 0.000 1.124 292 N CA -0.451 52.632 53.050 0.055 0.000 0.843 292 N CB 0.551 39.106 38.487 0.113 0.000 1.024 292 N HN -0.087 nan 8.380 nan 0.000 0.501 293 A N 1.252 124.072 122.820 -0.000 0.000 2.567 293 A HA -0.046 4.274 4.320 -0.000 0.000 0.240 293 A C 0.961 178.533 177.584 -0.020 0.000 1.053 293 A CA 0.025 52.042 52.037 -0.034 0.000 0.755 293 A CB 0.155 19.131 19.000 -0.039 0.000 0.978 293 A HN 0.518 nan 8.150 nan 0.000 0.507 294 E N 1.442 121.622 120.200 -0.033 0.000 2.216 294 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 294 E C 0.131 176.722 176.600 -0.015 0.000 0.988 294 E CA 0.624 57.013 56.400 -0.018 0.000 0.834 294 E CB 0.134 29.821 29.700 -0.021 0.000 0.772 294 E HN 0.674 nan 8.360 nan 0.000 0.479 295 N N 0.724 119.408 118.700 -0.028 0.000 2.813 295 N HA 0.096 4.836 4.740 -0.000 0.000 0.282 295 N C 0.274 175.780 175.510 -0.008 0.000 1.748 295 N CA -0.038 53.003 53.050 -0.016 0.000 0.860 295 N CB 0.851 39.323 38.487 -0.024 0.000 1.204 295 N HN 0.043 nan 8.380 nan 0.000 0.490 296 R N 0.877 121.383 120.500 0.010 0.000 2.075 296 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 296 R C 0.888 177.214 176.300 0.043 0.000 1.126 296 R CA 1.733 57.851 56.100 0.029 0.000 0.963 296 R CB 0.375 30.701 30.300 0.043 0.000 0.858 296 R HN 0.167 nan 8.270 nan 0.000 0.435 297 E N 0.746 120.969 120.200 0.039 0.000 2.051 297 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 297 E C 1.965 178.600 176.600 0.059 0.000 0.991 297 E CA 1.480 57.908 56.400 0.047 0.000 0.799 297 E CB -0.219 29.506 29.700 0.041 0.000 0.748 297 E HN 0.328 nan 8.360 nan 0.000 0.449 298 L N 0.253 121.506 121.223 0.050 0.000 2.141 298 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 298 L C 2.369 179.282 176.870 0.072 0.000 1.094 298 L CA 0.951 55.842 54.840 0.085 0.000 0.763 298 L CB -0.457 41.651 42.059 0.081 0.000 0.908 298 L HN 0.157 nan 8.230 nan 0.000 0.437 299 A N -0.295 122.532 122.820 0.012 0.000 1.933 299 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 299 A C 2.360 179.994 177.584 0.084 0.000 1.175 299 A CA 1.741 53.775 52.037 -0.004 0.000 0.628 299 A CB -0.803 18.187 19.000 -0.017 0.000 0.814 299 A HN 0.181 nan 8.150 nan 0.000 0.444 300 V N 0.410 120.383 119.914 0.097 0.000 2.332 300 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 300 V C 2.551 178.709 176.094 0.106 0.000 1.055 300 V CA 2.193 64.553 62.300 0.101 0.000 1.038 300 V CB -0.694 31.173 31.823 0.073 0.000 0.651 300 V HN 0.531 nan 8.190 nan 0.000 0.450 301 E N -0.692 119.601 120.200 0.155 0.000 2.150 301 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 301 E C 1.955 178.745 176.600 0.316 0.000 0.985 301 E CA 1.202 57.750 56.400 0.247 0.000 0.814 301 E CB -0.379 29.503 29.700 0.305 0.000 0.752 301 E HN 0.653 nan 8.360 nan 0.000 0.466 302 F N 1.170 121.122 119.950 0.004 0.000 2.113 302 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 302 F C 2.258 177.923 175.800 -0.224 0.000 1.103 302 F CA 0.875 58.689 58.000 -0.310 0.000 1.248 302 F CB -0.101 38.482 39.000 -0.695 0.000 0.999 302 F HN -0.210 nan 8.300 nan 0.000 0.475 303 V N 0.785 120.706 119.914 0.012 0.000 2.287 303 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 303 V C 2.336 178.323 176.094 -0.179 0.000 1.053 303 V CA 2.259 64.512 62.300 -0.078 0.000 1.027 303 V CB -0.719 31.158 31.823 0.089 0.000 0.646 303 V HN 0.282 nan 8.190 nan 0.000 0.447 304 K N -0.427 119.918 120.400 -0.090 0.000 2.074 304 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 304 K C 2.107 178.615 176.600 -0.154 0.000 1.048 304 K CA 1.749 57.981 56.287 -0.091 0.000 0.926 304 K CB -0.458 32.032 32.500 -0.017 0.000 0.713 304 K HN 0.331 nan 8.250 nan 0.000 0.444 305 L N 0.954 122.056 121.223 -0.201 0.000 2.017 305 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 305 L C 2.016 178.622 176.870 -0.440 0.000 1.073 305 L CA 1.505 56.191 54.840 -0.256 0.000 0.745 305 L CB -0.392 41.513 42.059 -0.256 0.000 0.894 305 L HN -0.102 nan 8.230 nan 0.000 0.432 306 V N 0.737 120.198 119.914 -0.756 0.000 2.332 306 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 306 V C 2.320 178.093 176.094 -0.535 0.000 1.055 306 V CA 2.228 63.933 62.300 -0.992 0.000 1.038 306 V CB -0.683 30.429 31.823 -1.185 0.000 0.651 306 V HN 0.698 nan 8.190 nan 0.000 0.450 307 I N -1.062 119.279 120.570 -0.382 0.000 3.883 307 I HA 0.215 4.385 4.170 -0.000 0.000 0.326 307 I C 1.269 177.319 176.117 -0.112 0.000 1.283 307 I CA 0.001 61.173 61.300 -0.214 0.000 1.161 307 I CB -0.186 37.714 38.000 -0.167 0.000 1.012 307 I HN 0.309 nan 8.210 nan 0.000 0.421 308 S N 0.947 116.578 115.700 -0.115 0.000 2.596 308 S HA 0.142 4.612 4.470 -0.000 0.000 0.260 308 S C 0.933 175.516 174.600 -0.028 0.000 1.336 308 S CA -0.206 57.958 58.200 -0.060 0.000 0.993 308 S CB 1.046 64.212 63.200 -0.057 0.000 0.923 308 S HN 0.428 nan 8.310 nan 0.000 0.567 309 E N 0.464 120.657 120.200 -0.013 0.000 2.130 309 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 309 E C 1.970 178.578 176.600 0.013 0.000 0.998 309 E CA 1.529 57.930 56.400 0.002 0.000 0.806 309 E CB -0.185 29.516 29.700 0.001 0.000 0.738 309 E HN 0.883 nan 8.360 nan 0.000 0.459 310 E N 0.268 120.475 120.200 0.011 0.000 2.085 310 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 310 E C 2.190 178.829 176.600 0.066 0.000 0.994 310 E CA 1.277 57.694 56.400 0.029 0.000 0.801 310 E CB -0.179 29.535 29.700 0.024 0.000 0.743 310 E HN 0.278 nan 8.360 nan 0.000 0.453 311 G N 0.245 109.081 108.800 0.061 0.000 2.408 311 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 311 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 311 G C 1.447 176.447 174.900 0.167 0.000 1.150 311 G CA 0.646 45.846 45.100 0.165 0.000 0.776 311 G HN 0.274 nan 8.290 nan 0.000 0.542 312 Q N -0.339 119.508 119.800 0.077 0.000 2.096 312 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 312 Q C 2.436 178.474 176.000 0.063 0.000 0.982 312 Q CA 1.508 57.358 55.803 0.078 0.000 0.850 312 Q CB -0.088 28.678 28.738 0.047 0.000 0.901 312 Q HN 0.499 nan 8.270 nan 0.000 0.422 313 E N 0.951 121.179 120.200 0.047 0.000 2.106 313 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 313 E C 1.635 178.246 176.600 0.017 0.000 0.984 313 E CA 0.907 57.324 56.400 0.027 0.000 0.806 313 E CB -0.190 29.522 29.700 0.019 0.000 0.750 313 E HN 0.332 nan 8.360 nan 0.000 0.458 314 I N 0.103 120.690 120.570 0.030 0.000 2.163 314 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 314 I C 2.249 178.332 176.117 -0.058 0.000 1.085 314 I CA 1.068 62.347 61.300 -0.035 0.000 1.347 314 I CB -0.225 37.729 38.000 -0.076 0.000 1.044 314 I HN 0.174 nan 8.210 nan 0.000 0.408 315 L N -0.116 121.114 121.223 0.013 0.000 2.056 315 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 315 L C 2.769 179.627 176.870 -0.020 0.000 1.078 315 L CA 1.165 56.008 54.840 0.005 0.000 0.749 315 L CB -0.556 41.565 42.059 0.103 0.000 0.901 315 L HN 0.189 nan 8.230 nan 0.000 0.433 316 R N 0.529 121.028 120.500 -0.002 0.000 2.073 316 R HA -0.202 4.138 4.340 -0.000 0.000 0.234 316 R C 2.092 178.382 176.300 -0.016 0.000 1.134 316 R CA 1.814 57.909 56.100 -0.008 0.000 0.952 316 R CB -0.153 30.149 30.300 0.004 0.000 0.850 316 R HN 0.417 nan 8.270 nan 0.000 0.433 317 E N 0.144 120.333 120.200 -0.019 0.000 2.160 317 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 317 E C 1.586 178.168 176.600 -0.030 0.000 0.991 317 E CA 1.026 57.413 56.400 -0.022 0.000 0.810 317 E CB 0.011 29.695 29.700 -0.027 0.000 0.742 317 E HN 0.360 nan 8.360 nan 0.000 0.466 318 L N -0.687 120.510 121.223 -0.044 0.000 2.629 318 L HA 0.202 4.542 4.340 -0.000 0.000 0.230 318 L C 1.084 177.931 176.870 -0.038 0.000 1.151 318 L CA 0.217 55.029 54.840 -0.047 0.000 0.924 318 L CB 0.458 42.472 42.059 -0.075 0.000 1.137 318 L HN 0.276 nan 8.230 nan 0.000 0.457 319 G N -0.265 108.514 108.800 -0.035 0.000 2.144 319 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 319 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 319 G C 0.076 174.939 174.900 -0.063 0.000 0.988 319 G CA -0.488 44.591 45.100 -0.035 0.000 0.659 319 G HN 0.404 nan 8.290 nan 0.000 0.522 320 Q N 0.748 120.498 119.800 -0.083 0.000 2.348 320 Q HA 0.413 4.753 4.340 -0.000 0.000 0.265 320 Q C -0.353 175.600 176.000 -0.078 0.000 0.998 320 Q CA -0.741 54.986 55.803 -0.128 0.000 0.831 320 Q CB 1.466 30.063 28.738 -0.235 0.000 1.251 320 Q HN 0.313 nan 8.270 nan 0.000 0.456 321 E N 3.585 123.748 120.200 -0.061 0.000 2.392 321 E HA 0.213 4.563 4.350 -0.000 0.000 0.259 321 E C -2.159 174.426 176.600 -0.025 0.000 1.108 321 E CA -1.770 54.614 56.400 -0.026 0.000 0.916 321 E CB 0.258 29.952 29.700 -0.010 0.000 0.989 321 E HN 0.367 nan 8.360 nan 0.000 0.432 322 P HA 0.088 nan 4.420 nan 0.000 0.276 322 P C 0.361 177.673 177.300 0.019 0.000 1.252 322 P CA -0.569 62.547 63.100 0.025 0.000 0.802 322 P CB 0.711 32.434 31.700 0.038 0.000 1.035 323 L N 0.000 121.241 121.223 0.030 0.000 2.949 323 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 323 L CA 0.000 54.855 54.840 0.024 0.000 0.813 323 L CB 0.000 42.079 42.059 0.033 0.000 0.961 323 L HN 0.000 nan 8.230 nan 0.000 0.502