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_A 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 0.047 0.000 1.182 33 V CA 0.000 62.325 62.300 0.042 0.000 1.235 33 V CB 0.000 31.850 31.823 0.044 0.000 1.184 34 K N 3.543 123.961 120.400 0.030 0.000 2.316 34 K HA 0.632 4.952 4.320 -0.000 0.000 0.267 34 K C -0.947 175.647 176.600 -0.010 0.000 1.025 34 K CA -0.709 55.592 56.287 0.022 0.000 0.896 34 K CB 2.091 34.605 32.500 0.023 0.000 1.124 34 K HN 0.457 nan 8.250 nan 0.000 0.451 35 L N 3.764 124.969 121.223 -0.030 0.000 2.265 35 L HA 0.204 4.544 4.340 -0.000 0.000 0.288 35 L C -0.711 176.057 176.870 -0.170 0.000 1.058 35 L CA 0.035 54.803 54.840 -0.121 0.000 0.809 35 L CB 0.431 42.384 42.059 -0.177 0.000 1.179 35 L HN 0.387 nan 8.230 nan 0.000 0.429 36 K N 4.731 125.011 120.400 -0.199 0.000 2.253 36 K HA 0.517 4.837 4.320 -0.000 0.000 0.277 36 K C -1.269 175.124 176.600 -0.345 0.000 1.053 36 K CA -0.561 55.606 56.287 -0.199 0.000 0.892 36 K CB 1.542 33.920 32.500 -0.203 0.000 1.102 36 K HN 0.375 nan 8.250 nan 0.000 0.469 37 V N 5.274 125.070 119.914 -0.196 0.000 2.376 37 V HA 0.353 4.473 4.120 -0.000 0.000 0.287 37 V C -0.924 175.302 176.094 0.220 0.000 1.015 37 V CA -0.878 61.324 62.300 -0.163 0.000 0.834 37 V CB 0.452 32.104 31.823 -0.286 0.000 1.001 37 V HN 0.523 nan 8.190 nan 0.000 0.428 38 F N 4.624 124.573 119.950 -0.002 0.000 2.415 38 F HA 0.742 5.269 4.527 -0.000 0.000 0.348 38 F C 0.356 176.189 175.800 0.056 0.000 1.119 38 F CA -1.243 56.740 58.000 -0.029 0.000 1.069 38 F CB 1.062 40.029 39.000 -0.055 0.000 1.124 38 F HN 0.795 nan 8.300 nan 0.000 0.472 39 H N -0.518 118.692 119.070 0.234 0.000 3.016 39 H HA 0.788 5.344 4.556 -0.000 0.000 0.362 39 H C -0.764 174.654 175.328 0.150 0.000 1.233 39 H CA -1.528 54.638 56.048 0.197 0.000 1.124 39 H CB 0.688 30.590 29.762 0.233 0.000 1.850 39 H HN 0.775 nan 8.280 nan 0.000 0.549 40 A N 1.009 123.998 122.820 0.282 0.000 2.609 40 A HA 0.249 4.569 4.320 -0.000 0.000 0.232 40 A C 1.777 179.548 177.584 0.313 0.000 1.041 40 A CA 0.642 52.801 52.037 0.204 0.000 0.753 40 A CB -0.710 18.367 19.000 0.129 0.000 0.966 40 A HN 1.161 nan 8.150 nan 0.000 0.510 41 G N 1.127 110.043 108.800 0.193 0.000 2.469 41 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.220 41 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.220 41 G C 1.740 176.810 174.900 0.283 0.000 1.136 41 G CA 1.496 46.728 45.100 0.220 0.000 0.759 41 G HN 1.494 nan 8.290 nan 0.000 0.562 42 S N 0.075 115.943 115.700 0.280 0.000 2.507 42 S HA 0.138 4.608 4.470 -0.000 0.000 0.235 42 S C 1.920 176.667 174.600 0.246 0.000 0.988 42 S CA 0.427 58.790 58.200 0.271 0.000 0.944 42 S CB -0.173 63.168 63.200 0.236 0.000 0.762 42 S HN 0.279 nan 8.310 nan 0.000 0.526 43 L N 1.280 122.685 121.223 0.303 0.000 2.612 43 L HA 0.113 4.453 4.340 -0.000 0.000 0.230 43 L C 2.138 179.031 176.870 0.038 0.000 1.140 43 L CA 0.204 55.164 54.840 0.201 0.000 0.896 43 L CB -0.674 41.544 42.059 0.265 0.000 1.065 43 L HN 0.309 nan 8.230 nan 0.000 0.447 44 T N -0.432 114.232 114.554 0.184 0.000 2.684 44 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 44 T C 1.748 176.489 174.700 0.068 0.000 1.036 44 T CA 1.345 63.558 62.100 0.187 0.000 1.148 44 T CB 0.012 69.048 68.868 0.280 0.000 0.863 44 T HN 0.292 nan 8.240 nan 0.000 0.436 45 E N 0.542 120.779 120.200 0.062 0.000 2.047 45 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 45 E C -0.317 176.218 176.600 -0.108 0.000 0.987 45 E CA 1.093 57.486 56.400 -0.011 0.000 0.799 45 E CB -1.688 28.004 29.700 -0.013 0.000 0.752 45 E HN 0.390 nan 8.360 nan 0.000 0.449 46 P HA -0.121 nan 4.420 nan 0.000 0.216 46 P C 1.520 178.523 177.300 -0.495 0.000 1.150 46 P CA 1.245 64.104 63.100 -0.402 0.000 0.843 46 P CB -0.061 31.475 31.700 -0.273 0.000 0.787 47 M N -0.937 118.568 119.600 -0.159 0.000 2.296 47 M HA -0.127 4.352 4.480 -0.000 0.000 0.265 47 M C 1.741 178.073 176.300 0.053 0.000 1.064 47 M CA 1.616 56.940 55.300 0.040 0.000 1.109 47 M CB -1.080 31.433 32.600 -0.146 0.000 1.396 47 M HN 0.022 nan 8.290 nan 0.000 0.430 48 K N 0.066 120.460 120.400 -0.011 0.000 2.057 48 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 48 K C 2.076 178.677 176.600 0.002 0.000 1.049 48 K CA 1.579 57.880 56.287 0.023 0.000 0.931 48 K CB -0.223 32.281 32.500 0.007 0.000 0.714 48 K HN 0.290 nan 8.250 nan 0.000 0.440 49 A N 0.833 123.583 122.820 -0.118 0.000 1.929 49 A HA -0.083 4.236 4.320 -0.000 0.000 0.216 49 A C 1.859 179.419 177.584 -0.039 0.000 1.176 49 A CA 1.001 52.957 52.037 -0.134 0.000 0.628 49 A CB -0.522 18.319 19.000 -0.265 0.000 0.816 49 A HN 0.131 nan 8.150 nan 0.000 0.444 50 F N 0.520 120.491 119.950 0.036 0.000 2.134 50 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 50 F C 2.210 178.114 175.800 0.175 0.000 1.097 50 F CA 1.381 59.391 58.000 0.016 0.000 1.264 50 F CB -0.620 38.331 39.000 -0.080 0.000 1.001 50 F HN 0.261 nan 8.300 nan 0.000 0.479 51 K N 0.688 121.328 120.400 0.400 0.000 2.032 51 K HA -0.234 4.085 4.320 -0.000 0.000 0.209 51 K C 2.449 179.229 176.600 0.300 0.000 1.048 51 K CA 1.621 58.130 56.287 0.369 0.000 0.927 51 K CB -0.183 32.470 32.500 0.254 0.000 0.712 51 K HN 0.140 nan 8.250 nan 0.000 0.441 52 R N 0.108 120.727 120.500 0.198 0.000 2.081 52 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 52 R C 2.165 178.557 176.300 0.153 0.000 1.131 52 R CA 1.391 57.577 56.100 0.142 0.000 0.960 52 R CB -0.342 30.006 30.300 0.081 0.000 0.856 52 R HN 0.307 nan 8.270 nan 0.000 0.436 53 A N 0.355 123.279 122.820 0.173 0.000 1.898 53 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 53 A C 1.978 179.679 177.584 0.196 0.000 1.181 53 A CA 1.135 53.263 52.037 0.152 0.000 0.620 53 A CB -0.750 18.341 19.000 0.153 0.000 0.819 53 A HN 0.489 nan 8.150 nan 0.000 0.442 54 F N 0.827 120.870 119.950 0.155 0.000 2.146 54 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 54 F C 2.234 178.174 175.800 0.232 0.000 1.096 54 F CA 2.067 60.204 58.000 0.228 0.000 1.275 54 F CB -0.158 39.044 39.000 0.336 0.000 1.008 54 F HN 0.340 nan 8.300 nan 0.000 0.480 55 E N -0.350 120.026 120.200 0.292 0.000 2.274 55 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 55 E C 1.958 178.586 176.600 0.047 0.000 0.996 55 E CA 0.986 57.488 56.400 0.170 0.000 0.840 55 E CB -0.134 29.679 29.700 0.188 0.000 0.772 55 E HN 0.579 nan 8.360 nan 0.000 0.491 56 E N 0.845 121.061 120.200 0.027 0.000 2.072 56 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 56 E C 1.955 178.484 176.600 -0.117 0.000 0.985 56 E CA 0.893 57.278 56.400 -0.026 0.000 0.801 56 E CB 0.059 29.753 29.700 -0.009 0.000 0.750 56 E HN 0.007 nan 8.360 nan 0.000 0.452 57 K N -0.048 120.217 120.400 -0.225 0.000 2.305 57 K HA -0.034 4.285 4.320 -0.000 0.000 0.199 57 K C 0.129 176.299 176.600 -0.715 0.000 1.047 57 K CA 0.670 56.679 56.287 -0.463 0.000 0.976 57 K CB 0.440 32.590 32.500 -0.584 0.000 0.765 57 K HN 0.071 nan 8.250 nan 0.000 0.474 58 H N 0.473 119.381 119.070 -0.270 0.000 2.541 58 H HA 0.162 4.718 4.556 -0.000 0.000 0.246 58 H C -2.190 173.077 175.328 -0.100 0.000 1.341 58 H CA -1.952 53.953 56.048 -0.238 0.000 1.469 58 H CB 1.589 31.074 29.762 -0.461 0.000 1.472 58 H HN 0.156 nan 8.280 nan 0.000 0.503 59 P HA -0.115 nan 4.420 nan 0.000 0.223 59 P C 0.751 178.081 177.300 0.051 0.000 1.151 59 P CA 0.833 63.948 63.100 0.024 0.000 0.787 59 P CB 0.294 31.994 31.700 0.001 0.000 0.788 60 N N -0.671 118.066 118.700 0.061 0.000 2.383 60 N HA 0.047 4.787 4.740 -0.000 0.000 0.192 60 N C -0.038 175.520 175.510 0.080 0.000 1.141 60 N CA -0.051 53.036 53.050 0.061 0.000 0.851 60 N CB -0.604 37.914 38.487 0.052 0.000 0.976 60 N HN -0.044 nan 8.380 nan 0.000 0.465 61 V N 0.418 120.399 119.914 0.112 0.000 2.435 61 V HA 0.285 4.404 4.120 -0.000 0.000 0.290 61 V C -0.156 176.032 176.094 0.155 0.000 1.030 61 V CA -1.008 61.381 62.300 0.149 0.000 0.881 61 V CB 1.818 33.789 31.823 0.246 0.000 0.983 61 V HN 0.229 nan 8.190 nan 0.000 0.445 62 E N 3.504 123.779 120.200 0.125 0.000 2.129 62 E HA 0.453 4.802 4.350 -0.000 0.000 0.268 62 E C -1.321 175.342 176.600 0.105 0.000 0.900 62 E CA -0.552 55.918 56.400 0.116 0.000 0.755 62 E CB 1.853 31.601 29.700 0.081 0.000 1.117 62 E HN 0.510 nan 8.360 nan 0.000 0.410 63 V N 5.381 125.374 119.914 0.131 0.000 2.427 63 V HA 0.077 4.197 4.120 -0.000 0.000 0.268 63 V C 0.048 176.172 176.094 0.050 0.000 1.046 63 V CA -0.063 62.268 62.300 0.053 0.000 0.970 63 V CB 0.934 32.811 31.823 0.089 0.000 1.001 63 V HN 0.695 nan 8.190 nan 0.000 0.476 64 Q N 3.529 123.339 119.800 0.017 0.000 2.372 64 Q HA 0.429 4.769 4.340 -0.000 0.000 0.259 64 Q C 0.087 176.142 176.000 0.091 0.000 0.993 64 Q CA -0.395 55.445 55.803 0.062 0.000 0.854 64 Q CB 1.710 30.486 28.738 0.063 0.000 1.231 64 Q HN 0.899 nan 8.270 nan 0.000 0.462 65 T N 0.002 114.640 114.554 0.140 0.000 2.895 65 T HA 0.573 4.923 4.350 -0.000 0.000 0.283 65 T C -0.244 174.567 174.700 0.184 0.000 1.014 65 T CA -0.864 61.376 62.100 0.234 0.000 1.037 65 T CB 1.769 70.838 68.868 0.334 0.000 1.006 65 T HN 0.433 nan 8.240 nan 0.000 0.468 66 E N 0.521 120.782 120.200 0.102 0.000 2.275 66 E HA 0.572 4.922 4.350 -0.000 0.000 0.270 66 E C -1.113 175.210 176.600 -0.462 0.000 0.882 66 E CA -1.179 55.151 56.400 -0.117 0.000 0.758 66 E CB 2.289 31.860 29.700 -0.216 0.000 1.195 66 E HN 0.904 nan 8.360 nan 0.000 0.419 67 A N 2.094 124.686 122.820 -0.381 0.000 2.292 67 A HA 0.867 5.186 4.320 -0.000 0.000 0.319 67 A C -0.659 176.805 177.584 -0.200 0.000 1.206 67 A CA -0.164 51.630 52.037 -0.405 0.000 0.835 67 A CB 0.996 19.962 19.000 -0.058 0.000 1.164 67 A HN 0.628 nan 8.150 nan 0.000 0.505 68 A N 1.392 124.121 122.820 -0.152 0.000 2.608 68 A HA 0.748 5.067 4.320 -0.000 0.000 0.292 68 A C 0.201 177.768 177.584 -0.027 0.000 1.066 68 A CA -0.104 51.884 52.037 -0.081 0.000 0.676 68 A CB 0.355 19.284 19.000 -0.118 0.000 1.277 68 A HN 2.147 nan 8.150 nan 0.000 0.413 69 G N 0.380 109.173 108.800 -0.010 0.000 2.391 69 G HA2 0.382 4.342 3.960 -0.000 0.000 0.234 69 G HA3 0.382 4.342 3.960 -0.000 0.000 0.234 69 G C 0.907 175.804 174.900 -0.004 0.000 1.284 69 G CA 0.541 45.642 45.100 0.003 0.000 0.873 69 G HN 0.973 nan 8.290 nan 0.000 0.549 70 S N 1.853 117.550 115.700 -0.005 0.000 2.383 70 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 70 S C 2.749 177.353 174.600 0.007 0.000 1.030 70 S CA 1.393 59.593 58.200 0.001 0.000 1.002 70 S CB -0.201 62.983 63.200 -0.026 0.000 0.829 70 S HN 0.870 nan 8.310 nan 0.000 0.467 71 A N 1.350 124.179 122.820 0.014 0.000 1.929 71 A HA 0.233 4.553 4.320 -0.000 0.000 0.216 71 A C 2.333 179.910 177.584 -0.011 0.000 1.176 71 A CA 1.462 53.507 52.037 0.013 0.000 0.628 71 A CB -0.935 18.090 19.000 0.042 0.000 0.816 71 A HN 0.502 nan 8.150 nan 0.000 0.444 72 A N -1.022 121.788 122.820 -0.016 0.000 1.933 72 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 72 A C 2.273 179.823 177.584 -0.058 0.000 1.175 72 A CA 2.213 54.226 52.037 -0.040 0.000 0.628 72 A CB -1.203 17.772 19.000 -0.043 0.000 0.814 72 A HN 0.401 nan 8.150 nan 0.000 0.444 73 T N 0.370 114.899 114.554 -0.042 0.000 2.684 73 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 73 T C 1.767 176.483 174.700 0.027 0.000 1.036 73 T CA 1.724 63.810 62.100 -0.023 0.000 1.148 73 T CB -0.409 68.473 68.868 0.024 0.000 0.863 73 T HN 0.443 nan 8.240 nan 0.000 0.436 74 I N 0.371 120.947 120.570 0.010 0.000 2.315 74 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 74 I C 2.695 178.770 176.117 -0.069 0.000 1.117 74 I CA 1.150 62.442 61.300 -0.012 0.000 1.404 74 I CB -0.292 37.691 38.000 -0.028 0.000 1.071 74 I HN 0.100 nan 8.210 nan 0.000 0.419 75 R N 0.860 121.315 120.500 -0.074 0.000 2.193 75 R HA -0.145 4.195 4.340 -0.000 0.000 0.229 75 R C 2.134 178.374 176.300 -0.099 0.000 1.110 75 R CA 0.907 56.946 56.100 -0.103 0.000 0.988 75 R CB -0.174 30.081 30.300 -0.076 0.000 0.871 75 R HN 0.384 nan 8.270 nan 0.000 0.458 76 K N -0.030 120.328 120.400 -0.070 0.000 2.113 76 K HA -0.146 4.173 4.320 -0.000 0.000 0.208 76 K C 1.929 178.533 176.600 0.007 0.000 1.047 76 K CA 1.465 57.719 56.287 -0.054 0.000 0.928 76 K CB -0.003 32.419 32.500 -0.131 0.000 0.716 76 K HN 0.035 nan 8.250 nan 0.000 0.446 77 V N 0.704 120.610 119.914 -0.012 0.000 2.500 77 V HA -0.147 3.972 4.120 -0.000 0.000 0.243 77 V C 2.371 178.219 176.094 -0.410 0.000 1.039 77 V CA 2.054 64.294 62.300 -0.101 0.000 1.053 77 V CB -0.147 31.628 31.823 -0.080 0.000 0.695 77 V HN 0.508 nan 8.190 nan 0.000 0.463 78 T N -2.683 111.534 114.554 -0.562 0.000 3.067 78 T HA 0.036 4.386 4.350 -0.000 0.000 0.261 78 T C 1.322 175.776 174.700 -0.410 0.000 1.110 78 T CA 1.162 62.691 62.100 -0.953 0.000 1.113 78 T CB 0.099 68.548 68.868 -0.698 0.000 0.917 78 T HN 0.572 nan 8.240 nan 0.000 0.499 79 E N 0.087 120.158 120.200 -0.214 0.000 2.444 79 E HA 0.321 4.671 4.350 -0.000 0.000 0.209 79 E C 1.220 177.788 176.600 -0.054 0.000 0.806 79 E CA -0.003 56.340 56.400 -0.095 0.000 1.240 79 E CB 0.564 30.220 29.700 -0.074 0.000 1.238 79 E HN 0.361 nan 8.360 nan 0.000 0.591 80 L N 0.315 121.504 121.223 -0.057 0.000 2.700 80 L HA 0.343 4.682 4.340 -0.000 0.000 0.234 80 L C 1.045 177.912 176.870 -0.004 0.000 1.156 80 L CA 0.292 55.113 54.840 -0.031 0.000 0.946 80 L CB 0.442 42.472 42.059 -0.048 0.000 1.216 80 L HN 0.267 nan 8.230 nan 0.000 0.493 81 G N 0.556 109.362 108.800 0.009 0.000 2.155 81 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 81 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 81 G C 0.501 175.438 174.900 0.062 0.000 0.983 81 G CA -0.017 45.108 45.100 0.043 0.000 0.676 81 G HN 0.296 nan 8.290 nan 0.000 0.528 82 R N 0.232 120.780 120.500 0.081 0.000 2.582 82 R HA 0.416 4.756 4.340 -0.000 0.000 0.271 82 R C 0.363 176.740 176.300 0.130 0.000 1.078 82 R CA -0.093 56.095 56.100 0.147 0.000 1.127 82 R CB 0.574 31.041 30.300 0.278 0.000 1.038 82 R HN 0.298 nan 8.270 nan 0.000 0.500 83 K N 0.968 121.424 120.400 0.093 0.000 2.185 83 K HA 0.509 4.829 4.320 -0.000 0.000 0.269 83 K C -0.726 175.782 176.600 -0.154 0.000 0.987 83 K CA -0.438 55.847 56.287 -0.003 0.000 0.865 83 K CB 2.035 34.534 32.500 -0.001 0.000 1.090 83 K HN 0.577 nan 8.250 nan 0.000 0.450 84 A N 2.089 124.715 122.820 -0.323 0.000 2.401 84 A HA 0.319 4.639 4.320 -0.000 0.000 0.310 84 A C -0.221 177.135 177.584 -0.380 0.000 1.075 84 A CA -0.718 50.919 52.037 -0.668 0.000 0.746 84 A CB 0.948 19.207 19.000 -1.235 0.000 1.277 84 A HN 0.765 nan 8.150 nan 0.000 0.425 85 D N -0.091 120.086 120.400 -0.372 0.000 2.240 85 D HA 0.122 4.762 4.640 -0.000 0.000 0.206 85 D C 0.015 176.176 176.300 -0.232 0.000 0.963 85 D CA 1.525 55.377 54.000 -0.247 0.000 0.863 85 D CB 0.520 41.182 40.800 -0.231 0.000 0.973 85 D HN 0.229 nan 8.370 nan 0.000 0.501 86 V N 2.026 121.762 119.914 -0.296 0.000 2.733 86 V HA 0.291 4.411 4.120 -0.000 0.000 0.306 86 V C -0.576 175.420 176.094 -0.163 0.000 1.084 86 V CA -0.736 61.446 62.300 -0.197 0.000 0.905 86 V CB 3.105 34.801 31.823 -0.211 0.000 1.010 86 V HN -0.071 nan 8.190 nan 0.000 0.424 87 I N 3.641 124.166 120.570 -0.074 0.000 2.406 87 I HA 0.768 4.938 4.170 -0.000 0.000 0.290 87 I C 0.170 176.354 176.117 0.112 0.000 0.999 87 I CA -0.356 60.959 61.300 0.024 0.000 1.124 87 I CB 1.841 39.843 38.000 0.003 0.000 1.289 87 I HN 0.761 nan 8.210 nan 0.000 0.441 88 A N 4.398 127.343 122.820 0.209 0.000 2.343 88 A HA 0.699 5.019 4.320 -0.000 0.000 0.308 88 A C -0.322 177.423 177.584 0.269 0.000 1.092 88 A CA -0.531 51.691 52.037 0.308 0.000 0.751 88 A CB 1.647 20.892 19.000 0.408 0.000 1.203 88 A HN 0.651 nan 8.150 nan 0.000 0.452 89 T N 0.830 115.510 114.554 0.211 0.000 2.885 89 T HA 0.551 4.901 4.350 -0.000 0.000 0.285 89 T C 1.035 175.617 174.700 -0.196 0.000 1.019 89 T CA 0.276 62.401 62.100 0.043 0.000 1.010 89 T CB 1.385 70.272 68.868 0.031 0.000 1.022 89 T HN 1.247 nan 8.240 nan 0.000 0.466 90 A N 2.591 125.124 122.820 -0.478 0.000 2.167 90 A HA 0.200 4.519 4.320 -0.000 0.000 0.214 90 A C 0.744 177.878 177.584 -0.750 0.000 1.151 90 A CA 0.583 51.854 52.037 -1.277 0.000 0.735 90 A CB -0.163 18.295 19.000 -0.903 0.000 0.802 90 A HN 0.740 nan 8.150 nan 0.000 0.467 91 D N -1.208 119.017 120.400 -0.292 0.000 2.473 91 D HA 0.279 4.918 4.640 -0.000 0.000 0.253 91 D C 0.665 176.931 176.300 -0.056 0.000 1.233 91 D CA -0.798 53.139 54.000 -0.104 0.000 0.908 91 D CB 0.421 41.218 40.800 -0.006 0.000 1.170 91 D HN 0.318 nan 8.370 nan 0.000 0.558 92 Y N 1.942 122.232 120.300 -0.016 0.000 2.241 92 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 92 Y C 1.968 177.875 175.900 0.011 0.000 1.166 92 Y CA 1.805 59.923 58.100 0.031 0.000 1.203 92 Y CB -1.041 37.463 38.460 0.073 0.000 0.977 92 Y HN 0.295 nan 8.280 nan 0.000 0.529 93 T N -1.458 112.654 114.554 -0.737 0.000 3.007 93 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 93 T C 1.661 176.197 174.700 -0.273 0.000 1.107 93 T CA 1.208 62.961 62.100 -0.578 0.000 1.118 93 T CB -0.762 67.754 68.868 -0.585 0.000 0.889 93 T HN 0.533 nan 8.240 nan 0.000 0.506 94 L N -0.149 120.970 121.223 -0.173 0.000 2.201 94 L HA 0.083 4.422 4.340 -0.000 0.000 0.212 94 L C 2.580 179.378 176.870 -0.120 0.000 1.105 94 L CA 0.889 55.663 54.840 -0.108 0.000 0.775 94 L CB -0.553 41.484 42.059 -0.036 0.000 0.913 94 L HN 0.288 nan 8.230 nan 0.000 0.440 95 I N -0.330 120.172 120.570 -0.114 0.000 2.142 95 I HA -0.344 3.826 4.170 -0.000 0.000 0.240 95 I C 2.752 178.647 176.117 -0.370 0.000 1.078 95 I CA 1.460 62.687 61.300 -0.123 0.000 1.343 95 I CB -0.264 37.724 38.000 -0.019 0.000 1.046 95 I HN 0.339 nan 8.210 nan 0.000 0.405 96 Q N 1.436 120.843 119.800 -0.654 0.000 2.061 96 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 96 Q C 2.172 177.849 176.000 -0.539 0.000 0.984 96 Q CA 1.878 56.953 55.803 -1.214 0.000 0.846 96 Q CB 0.018 28.295 28.738 -0.768 0.000 0.902 96 Q HN 0.384 nan 8.270 nan 0.000 0.421 97 K N -0.495 119.729 120.400 -0.295 0.000 2.057 97 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 97 K C 1.931 178.478 176.600 -0.089 0.000 1.049 97 K CA 1.718 57.911 56.287 -0.156 0.000 0.931 97 K CB 0.019 32.440 32.500 -0.132 0.000 0.714 97 K HN 0.340 nan 8.250 nan 0.000 0.440 98 M N -1.043 118.506 119.600 -0.084 0.000 2.461 98 M HA 0.142 4.622 4.480 -0.000 0.000 0.255 98 M C 1.599 177.926 176.300 0.045 0.000 1.137 98 M CA 0.633 55.918 55.300 -0.025 0.000 1.086 98 M CB 0.572 33.145 32.600 -0.044 0.000 1.356 98 M HN 0.074 nan 8.290 nan 0.000 0.487 99 M N -1.384 118.261 119.600 0.075 0.000 2.393 99 M HA 0.181 4.661 4.480 -0.000 0.000 0.270 99 M C -0.469 176.066 176.300 0.391 0.000 1.127 99 M CA 0.058 55.509 55.300 0.253 0.000 1.104 99 M CB 0.783 33.509 32.600 0.211 0.000 1.523 99 M HN -0.064 nan 8.290 nan 0.000 0.546 100 Y N 2.319 122.671 120.300 0.086 0.000 2.309 100 Y HA 0.241 4.791 4.550 -0.000 0.000 0.327 100 Y C -1.377 174.552 175.900 0.049 0.000 1.172 100 Y CA -2.697 55.437 58.100 0.057 0.000 1.280 100 Y CB -0.338 38.150 38.460 0.047 0.000 1.234 100 Y HN 0.095 nan 8.280 nan 0.000 0.512 101 P HA 0.130 nan 4.420 nan 0.000 0.267 101 P C 0.167 177.443 177.300 -0.039 0.000 1.289 101 P CA 0.448 63.574 63.100 0.043 0.000 0.866 101 P CB 0.597 32.294 31.700 -0.005 0.000 1.309 102 E N -0.631 119.519 120.200 -0.083 0.000 2.158 102 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 102 E C 0.825 177.092 176.600 -0.555 0.000 0.982 102 E CA 1.047 57.215 56.400 -0.387 0.000 0.823 102 E CB -0.225 29.130 29.700 -0.575 0.000 0.766 102 E HN 0.351 nan 8.360 nan 0.000 0.468 103 F N -0.510 119.453 119.950 0.023 0.000 2.752 103 F HA 0.405 4.932 4.527 -0.000 0.000 0.310 103 F C 0.567 176.353 175.800 -0.024 0.000 1.097 103 F CA -0.294 57.708 58.000 0.003 0.000 1.238 103 F CB 1.104 40.112 39.000 0.014 0.000 1.061 103 F HN -0.123 nan 8.300 nan 0.000 0.591 104 A N 0.585 123.481 122.820 0.127 0.000 2.586 104 A HA 0.555 4.875 4.320 -0.000 0.000 0.290 104 A C -0.675 176.800 177.584 -0.181 0.000 1.086 104 A CA -0.264 51.764 52.037 -0.015 0.000 0.665 104 A CB 0.555 19.587 19.000 0.052 0.000 1.279 104 A HN 0.273 nan 8.150 nan 0.000 0.423 105 N N -1.443 117.003 118.700 -0.423 0.000 1.986 105 N HA 0.202 4.941 4.740 -0.000 0.000 0.227 105 N C -0.311 174.860 175.510 -0.565 0.000 1.387 105 N CA -0.070 52.522 53.050 -0.762 0.000 0.810 105 N CB 0.658 38.959 38.487 -0.309 0.000 1.140 105 N HN 0.905 nan 8.380 nan 0.000 0.504 106 W N -0.370 120.820 121.300 -0.183 0.000 3.075 106 W HA 0.722 5.381 4.660 -0.000 0.000 0.334 106 W C -1.808 174.878 176.519 0.277 0.000 1.243 106 W CA -0.869 56.521 57.345 0.075 0.000 1.170 106 W CB 0.956 30.432 29.460 0.026 0.000 1.452 106 W HN -0.261 nan 8.180 nan 0.000 0.572 107 T N 2.355 117.313 114.554 0.673 0.000 2.952 107 T HA 0.510 4.860 4.350 -0.000 0.000 0.305 107 T C -0.719 174.300 174.700 0.533 0.000 1.064 107 T CA -0.538 61.871 62.100 0.515 0.000 1.008 107 T CB 2.035 71.147 68.868 0.405 0.000 1.078 107 T HN 0.317 nan 8.240 nan 0.000 0.459 108 I N 3.160 124.034 120.570 0.506 0.000 2.377 108 I HA 0.411 4.580 4.170 -0.000 0.000 0.293 108 I C 0.124 176.434 176.117 0.322 0.000 0.987 108 I CA -0.753 60.750 61.300 0.338 0.000 1.185 108 I CB 1.509 39.679 38.000 0.282 0.000 1.341 108 I HN 0.415 nan 8.210 nan 0.000 0.455 109 M N 7.036 126.743 119.600 0.178 0.000 2.216 109 M HA 0.460 4.940 4.480 -0.000 0.000 0.356 109 M C -0.820 175.632 176.300 0.253 0.000 1.205 109 M CA -0.109 55.251 55.300 0.099 0.000 1.122 109 M CB 0.749 33.225 32.600 -0.206 0.000 1.571 109 M HN 0.495 nan 8.290 nan 0.000 0.464 110 F N 0.819 120.804 119.950 0.057 0.000 2.665 110 F HA 0.829 5.356 4.527 -0.000 0.000 0.308 110 F C -0.698 175.128 175.800 0.045 0.000 1.112 110 F CA -0.877 57.148 58.000 0.041 0.000 0.972 110 F CB 0.726 39.750 39.000 0.040 0.000 1.295 110 F HN 0.948 nan 8.300 nan 0.000 0.440 111 A N 1.811 124.551 122.820 -0.134 0.000 2.443 111 A HA 0.122 4.441 4.320 -0.000 0.000 0.686 111 A C -1.186 176.231 177.584 -0.279 0.000 0.144 111 A CA 0.247 52.117 52.037 -0.278 0.000 0.033 111 A CB -1.007 17.669 19.000 -0.541 0.000 3.972 111 A HN 1.067 nan 8.150 nan 0.000 0.548 112 K N 0.825 121.087 120.400 -0.231 0.000 2.346 112 K HA 0.818 5.137 4.320 -0.000 0.000 0.238 112 K C 0.044 176.535 176.600 -0.180 0.000 1.039 112 K CA -1.008 55.207 56.287 -0.120 0.000 0.861 112 K CB 1.468 33.946 32.500 -0.037 0.000 1.278 112 K HN 0.780 nan 8.250 nan 0.000 0.460 113 N N 0.249 118.923 118.700 -0.043 0.000 3.378 113 N HA 0.179 4.919 4.740 -0.000 0.000 0.294 113 N C -2.051 173.493 175.510 0.055 0.000 1.544 113 N CA -0.499 52.533 53.050 -0.030 0.000 0.872 113 N CB 2.188 40.614 38.487 -0.102 0.000 1.670 113 N HN 0.553 nan 8.380 nan 0.000 0.551 114 Q N 1.078 120.940 119.800 0.102 0.000 2.327 114 Q HA 0.396 4.735 4.340 -0.000 0.000 0.265 114 Q C -1.467 174.551 176.000 0.030 0.000 0.993 114 Q CA -0.603 55.222 55.803 0.036 0.000 0.885 114 Q CB 1.341 30.067 28.738 -0.019 0.000 1.379 114 Q HN 0.496 nan 8.270 nan 0.000 0.408 115 I N 4.506 125.049 120.570 -0.045 0.000 2.441 115 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 115 I C 0.507 176.539 176.117 -0.142 0.000 1.049 115 I CA -0.157 61.074 61.300 -0.115 0.000 1.381 115 I CB 0.627 38.551 38.000 -0.126 0.000 1.409 115 I HN 0.547 nan 8.210 nan 0.000 0.523 116 V N 5.222 125.019 119.914 -0.194 0.000 3.155 116 V HA 0.653 4.772 4.120 -0.000 0.000 0.313 116 V C -0.934 174.993 176.094 -0.278 0.000 1.162 116 V CA -1.085 61.093 62.300 -0.204 0.000 1.048 116 V CB 2.433 34.123 31.823 -0.222 0.000 1.092 116 V HN 0.475 nan 8.190 nan 0.000 0.447 117 L N 2.451 123.508 121.223 -0.276 0.000 2.294 117 L HA 0.918 5.258 4.340 -0.000 0.000 0.283 117 L C 0.177 177.037 176.870 -0.017 0.000 1.015 117 L CA -0.049 54.554 54.840 -0.395 0.000 0.831 117 L CB 0.352 42.081 42.059 -0.550 0.000 1.217 117 L HN 1.208 nan 8.230 nan 0.000 0.420 118 A N 4.745 127.488 122.820 -0.127 0.000 2.311 118 A HA 0.892 5.212 4.320 -0.000 0.000 0.334 118 A C -1.385 176.388 177.584 0.315 0.000 1.139 118 A CA -0.287 51.766 52.037 0.026 0.000 0.830 118 A CB 0.935 19.682 19.000 -0.422 0.000 1.234 118 A HN 0.871 nan 8.150 nan 0.000 0.483 119 Y N -1.744 118.642 120.300 0.144 0.000 2.779 119 Y HA 0.709 5.259 4.550 -0.000 0.000 0.340 119 Y C -0.564 175.477 175.900 0.235 0.000 1.252 119 Y CA -1.484 56.642 58.100 0.043 0.000 1.072 119 Y CB 0.706 39.047 38.460 -0.199 0.000 1.343 119 Y HN 0.738 nan 8.280 nan 0.000 0.450 120 R N 0.301 120.945 120.500 0.240 0.000 2.782 120 R HA 0.437 4.777 4.340 -0.000 0.000 0.258 120 R C -0.033 176.362 176.300 0.158 0.000 1.055 120 R CA -0.924 55.285 56.100 0.183 0.000 1.065 120 R CB 0.536 30.936 30.300 0.167 0.000 1.172 120 R HN 0.642 nan 8.270 nan 0.000 0.510 121 N N 0.956 119.708 118.700 0.086 0.000 2.205 121 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 121 N C 0.358 175.920 175.510 0.088 0.000 1.015 121 N CA 1.393 54.500 53.050 0.094 0.000 0.862 121 N CB -0.119 38.394 38.487 0.043 0.000 0.986 121 N HN 0.526 nan 8.380 nan 0.000 0.429 122 D N -0.044 120.390 120.400 0.055 0.000 2.340 122 D HA 0.075 4.715 4.640 -0.000 0.000 0.220 122 D C 0.014 176.309 176.300 -0.009 0.000 1.039 122 D CA 0.162 54.173 54.000 0.019 0.000 0.866 122 D CB -0.015 40.789 40.800 0.006 0.000 0.913 122 D HN -0.014 nan 8.370 nan 0.000 0.523 123 S N 0.719 116.418 115.700 -0.002 0.000 2.563 123 S HA 0.018 4.488 4.470 -0.000 0.000 0.284 123 S C 0.660 175.192 174.600 -0.114 0.000 1.331 123 S CA -0.336 57.796 58.200 -0.115 0.000 1.047 123 S CB 1.153 64.181 63.200 -0.287 0.000 0.859 123 S HN 0.167 nan 8.310 nan 0.000 0.514 124 R N 1.356 121.772 120.500 -0.141 0.000 2.522 124 R HA 0.018 4.358 4.340 -0.000 0.000 0.284 124 R C -0.512 175.718 176.300 -0.116 0.000 1.032 124 R CA 0.289 56.232 56.100 -0.262 0.000 1.049 124 R CB -0.205 29.894 30.300 -0.336 0.000 0.956 124 R HN 0.759 nan 8.270 nan 0.000 0.422 125 Y N 0.225 120.575 120.300 0.083 0.000 4.668 125 Y HA -0.326 4.224 4.550 -0.000 0.000 0.234 125 Y C 1.267 177.204 175.900 0.062 0.000 1.056 125 Y CA 0.561 58.702 58.100 0.068 0.000 2.025 125 Y CB -2.373 36.119 38.460 0.054 0.000 1.613 125 Y HN 0.786 nan 8.280 nan 0.000 0.653 126 A N -0.074 122.828 122.820 0.137 0.000 1.948 126 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 126 A C 2.017 179.683 177.584 0.137 0.000 1.177 126 A CA 2.164 54.263 52.037 0.102 0.000 0.636 126 A CB -0.321 18.824 19.000 0.242 0.000 0.815 126 A HN 0.500 nan 8.150 nan 0.000 0.449 127 D N -1.369 119.109 120.400 0.130 0.000 2.347 127 D HA -0.034 4.606 4.640 -0.000 0.000 0.215 127 D C 1.674 178.027 176.300 0.088 0.000 0.976 127 D CA 1.037 55.103 54.000 0.110 0.000 0.884 127 D CB 0.084 40.938 40.800 0.089 0.000 0.915 127 D HN 0.811 nan 8.370 nan 0.000 0.526 128 E N -0.147 120.108 120.200 0.091 0.000 2.372 128 E HA 0.076 4.426 4.350 -0.000 0.000 0.201 128 E C 0.872 177.474 176.600 0.002 0.000 0.938 128 E CA -0.238 56.190 56.400 0.047 0.000 0.944 128 E CB 0.833 30.566 29.700 0.054 0.000 0.937 128 E HN 0.096 nan 8.360 nan 0.000 0.495 129 I N 2.305 122.867 120.570 -0.014 0.000 2.696 129 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 129 I C -0.612 175.492 176.117 -0.021 0.000 1.129 129 I CA -0.071 61.184 61.300 -0.076 0.000 1.410 129 I CB 0.357 38.239 38.000 -0.198 0.000 1.399 129 I HN 0.239 nan 8.210 nan 0.000 0.579 130 N N 2.288 120.988 118.700 0.001 0.000 3.243 130 N HA 0.227 4.967 4.740 -0.000 0.000 0.280 130 N C -0.426 175.156 175.510 0.120 0.000 1.545 130 N CA -0.750 52.332 53.050 0.054 0.000 0.854 130 N CB 1.016 39.526 38.487 0.039 0.000 1.612 130 N HN 0.289 nan 8.380 nan 0.000 0.577 131 S N -0.947 114.838 115.700 0.142 0.000 2.507 131 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 131 S C 0.929 175.741 174.600 0.353 0.000 0.988 131 S CA 1.000 59.346 58.200 0.243 0.000 0.944 131 S CB -0.338 62.964 63.200 0.170 0.000 0.762 131 S HN 0.509 nan 8.310 nan 0.000 0.526 132 Q N 1.364 121.274 119.800 0.184 0.000 2.297 132 Q HA 0.123 4.463 4.340 -0.000 0.000 0.203 132 Q C 1.317 177.226 176.000 -0.152 0.000 0.931 132 Q CA 0.772 56.638 55.803 0.105 0.000 0.885 132 Q CB -0.006 28.766 28.738 0.056 0.000 0.991 132 Q HN 0.639 nan 8.270 nan 0.000 0.498 133 N N -0.736 117.852 118.700 -0.188 0.000 2.204 133 N HA -0.051 4.689 4.740 -0.000 0.000 0.219 133 N C 0.925 176.126 175.510 -0.514 0.000 1.151 133 N CA -0.164 52.624 53.050 -0.437 0.000 0.867 133 N CB -0.640 37.673 38.487 -0.290 0.000 1.043 133 N HN 0.364 nan 8.380 nan 0.000 0.516 134 W N 1.309 122.389 121.300 -0.368 0.000 2.338 134 W HA -0.215 4.445 4.660 -0.000 0.000 0.304 134 W C 1.001 177.323 176.519 -0.328 0.000 1.212 134 W CA 0.967 58.121 57.345 -0.318 0.000 1.264 134 W CB -1.339 28.010 29.460 -0.185 0.000 1.142 134 W HN 0.193 nan 8.180 nan 0.000 0.512 135 Y N 0.365 119.984 120.300 -1.136 0.000 2.395 135 Y HA 0.137 4.686 4.550 -0.000 0.000 0.293 135 Y C 2.224 177.795 175.900 -0.549 0.000 1.123 135 Y CA 1.145 58.639 58.100 -1.011 0.000 1.227 135 Y CB -1.267 36.296 38.460 -1.496 0.000 1.012 135 Y HN -0.150 nan 8.280 nan 0.000 0.552 136 E N 1.097 120.814 120.200 -0.806 0.000 2.106 136 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 136 E C 2.179 178.581 176.600 -0.330 0.000 0.984 136 E CA 0.824 56.935 56.400 -0.481 0.000 0.806 136 E CB -0.091 29.291 29.700 -0.530 0.000 0.750 136 E HN 0.478 nan 8.360 nan 0.000 0.458 137 I N 1.104 121.466 120.570 -0.347 0.000 2.226 137 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 137 I C 2.482 178.498 176.117 -0.169 0.000 1.100 137 I CA 0.967 62.108 61.300 -0.265 0.000 1.374 137 I CB -1.191 36.640 38.000 -0.282 0.000 1.057 137 I HN 0.100 nan 8.210 nan 0.000 0.413 138 L N 0.216 121.316 121.223 -0.205 0.000 2.265 138 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 138 L C 2.270 179.154 176.870 0.023 0.000 1.117 138 L CA 1.063 55.838 54.840 -0.108 0.000 0.782 138 L CB -0.509 41.401 42.059 -0.248 0.000 0.914 138 L HN 0.247 nan 8.230 nan 0.000 0.441 139 K N -0.035 120.344 120.400 -0.034 0.000 2.432 139 K HA -0.002 4.318 4.320 -0.000 0.000 0.196 139 K C 0.544 177.162 176.600 0.031 0.000 1.038 139 K CA 0.144 56.439 56.287 0.013 0.000 0.986 139 K CB 0.076 32.554 32.500 -0.037 0.000 0.782 139 K HN 0.291 nan 8.250 nan 0.000 0.485 140 R N 1.435 121.948 120.500 0.021 0.000 2.590 140 R HA 0.006 4.346 4.340 -0.000 0.000 0.274 140 R C -1.682 174.681 176.300 0.105 0.000 1.061 140 R CA -1.192 54.932 56.100 0.041 0.000 1.081 140 R CB 0.233 30.549 30.300 0.026 0.000 0.984 140 R HN -0.030 nan 8.270 nan 0.000 0.448 141 P HA -0.121 nan 4.420 nan 0.000 0.226 141 P C -0.126 177.237 177.300 0.105 0.000 1.153 141 P CA 1.098 64.251 63.100 0.088 0.000 0.777 141 P CB 0.209 31.945 31.700 0.061 0.000 0.794 142 D N -0.888 119.596 120.400 0.140 0.000 2.342 142 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 142 D C 0.218 176.616 176.300 0.165 0.000 1.101 142 D CA -0.406 53.675 54.000 0.135 0.000 0.837 142 D CB -0.359 40.523 40.800 0.137 0.000 0.938 142 D HN -0.009 nan 8.370 nan 0.000 0.508 143 V N 0.639 120.681 119.914 0.214 0.000 2.459 143 V HA 0.436 4.556 4.120 -0.000 0.000 0.295 143 V C 0.041 176.303 176.094 0.279 0.000 1.029 143 V CA -0.873 61.594 62.300 0.278 0.000 0.874 143 V CB 1.760 33.791 31.823 0.347 0.000 0.985 143 V HN -0.055 nan 8.190 nan 0.000 0.438 144 R N 4.217 124.875 120.500 0.264 0.000 2.562 144 R HA 0.783 5.123 4.340 -0.000 0.000 0.298 144 R C -1.080 175.418 176.300 0.331 0.000 0.961 144 R CA -0.405 55.815 56.100 0.200 0.000 0.881 144 R CB 2.060 32.404 30.300 0.073 0.000 1.159 144 R HN 0.719 nan 8.270 nan 0.000 0.450 145 F N -1.322 118.738 119.950 0.183 0.000 2.643 145 F HA 0.880 5.407 4.527 -0.000 0.000 0.314 145 F C -0.471 175.446 175.800 0.196 0.000 1.096 145 F CA -1.172 56.976 58.000 0.245 0.000 0.953 145 F CB 1.578 40.781 39.000 0.339 0.000 1.345 145 F HN 0.529 nan 8.300 nan 0.000 0.468 146 G N 0.558 109.597 108.800 0.399 0.000 2.574 146 G HA2 0.759 4.719 3.960 -0.000 0.000 0.299 146 G HA3 0.759 4.719 3.960 -0.000 0.000 0.299 146 G C -2.080 173.119 174.900 0.497 0.000 1.298 146 G CA -0.971 44.233 45.100 0.174 0.000 0.952 146 G HN 1.075 nan 8.290 nan 0.000 0.477 147 F N -0.641 119.462 119.950 0.255 0.000 2.686 147 F HA 0.809 5.336 4.527 -0.000 0.000 0.311 147 F C 0.031 175.891 175.800 0.100 0.000 1.128 147 F CA -1.347 56.783 58.000 0.217 0.000 0.946 147 F CB 1.111 40.225 39.000 0.189 0.000 1.336 147 F HN 0.669 nan 8.300 nan 0.000 0.457 148 S N 0.466 116.331 115.700 0.276 0.000 2.707 148 S HA 0.399 4.868 4.470 -0.000 0.000 0.276 148 S C -0.514 174.205 174.600 0.199 0.000 1.179 148 S CA -0.801 57.477 58.200 0.130 0.000 0.992 148 S CB 1.094 64.340 63.200 0.076 0.000 1.030 148 S HN 0.844 nan 8.310 nan 0.000 0.554 149 N N 1.639 120.398 118.700 0.100 0.000 2.416 149 N HA 0.250 4.990 4.740 -0.000 0.000 0.265 149 N C -1.931 173.654 175.510 0.124 0.000 1.195 149 N CA -2.067 51.051 53.050 0.113 0.000 0.943 149 N CB 0.682 39.200 38.487 0.050 0.000 1.115 149 N HN 0.247 nan 8.380 nan 0.000 0.481 150 P HA -0.097 nan 4.420 nan 0.000 0.217 150 P C 0.648 178.073 177.300 0.208 0.000 1.148 150 P CA 1.039 64.264 63.100 0.209 0.000 0.828 150 P CB 0.329 32.149 31.700 0.200 0.000 0.783 151 N N -0.804 117.967 118.700 0.119 0.000 2.381 151 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 151 N C 0.952 176.507 175.510 0.074 0.000 1.025 151 N CA 1.190 54.289 53.050 0.081 0.000 0.888 151 N CB -0.441 38.071 38.487 0.042 0.000 0.965 151 N HN 0.209 nan 8.380 nan 0.000 0.438 152 D N -0.671 119.768 120.400 0.066 0.000 2.422 152 D HA 0.049 4.689 4.640 -0.000 0.000 0.218 152 D C -0.371 175.945 176.300 0.028 0.000 1.047 152 D CA 0.505 54.526 54.000 0.036 0.000 0.885 152 D CB 0.546 41.355 40.800 0.015 0.000 1.035 152 D HN 0.076 nan 8.370 nan 0.000 0.502 153 D N -1.073 119.337 120.400 0.017 0.000 2.855 153 D HA 0.220 4.860 4.640 -0.000 0.000 0.241 153 D C -2.112 174.022 176.300 -0.277 0.000 1.277 153 D CA -1.971 51.991 54.000 -0.063 0.000 0.918 153 D CB 2.560 43.343 40.800 -0.028 0.000 1.462 153 D HN -0.313 nan 8.370 nan 0.000 0.559 154 P HA -0.143 nan 4.420 nan 0.000 0.216 154 P C 1.535 178.392 177.300 -0.737 0.000 1.150 154 P CA 0.735 63.160 63.100 -1.125 0.000 0.843 154 P CB 0.234 31.614 31.700 -0.532 0.000 0.787 155 C N -0.845 118.263 119.300 -0.319 0.000 2.411 155 C HA -0.048 4.412 4.460 -0.000 0.000 0.279 155 C C 2.849 177.679 174.990 -0.267 0.000 1.288 155 C CA 1.688 60.477 59.018 -0.382 0.000 1.764 155 C CB -1.924 25.554 27.740 -0.436 0.000 1.974 155 C HN 0.274 nan 8.230 nan 0.000 0.498 156 G N -0.525 108.174 108.800 -0.169 0.000 2.394 156 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 156 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 156 G C 1.299 176.196 174.900 -0.004 0.000 1.176 156 G CA 1.128 46.233 45.100 0.008 0.000 0.786 156 G HN 0.727 nan 8.290 nan 0.000 0.533 157 Y N 0.617 120.916 120.300 -0.002 0.000 2.293 157 Y HA 0.135 4.685 4.550 -0.000 0.000 0.291 157 Y C 2.702 178.578 175.900 -0.039 0.000 1.137 157 Y CA 0.862 58.949 58.100 -0.021 0.000 1.202 157 Y CB -0.646 37.803 38.460 -0.017 0.000 0.990 157 Y HN 0.037 nan 8.280 nan 0.000 0.537 158 R N 0.551 121.036 120.500 -0.026 0.000 2.115 158 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 158 R C 2.373 178.608 176.300 -0.108 0.000 1.111 158 R CA 1.319 57.399 56.100 -0.033 0.000 0.976 158 R CB -0.326 29.900 30.300 -0.124 0.000 0.870 158 R HN 0.346 nan 8.270 nan 0.000 0.445 159 S N 1.087 116.685 115.700 -0.170 0.000 2.356 159 S HA -0.064 4.406 4.470 -0.000 0.000 0.223 159 S C 1.922 176.302 174.600 -0.366 0.000 1.032 159 S CA 0.989 59.008 58.200 -0.302 0.000 1.005 159 S CB -0.138 62.899 63.200 -0.271 0.000 0.867 159 S HN 0.216 nan 8.310 nan 0.000 0.449 160 L N 0.733 121.823 121.223 -0.221 0.000 2.093 160 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 160 L C 2.514 179.473 176.870 0.148 0.000 1.085 160 L CA 1.103 55.949 54.840 0.010 0.000 0.755 160 L CB -0.598 41.520 42.059 0.100 0.000 0.904 160 L HN 0.349 nan 8.230 nan 0.000 0.435 161 M N -0.292 119.367 119.600 0.097 0.000 2.080 161 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 161 M C 2.544 178.781 176.300 -0.106 0.000 1.068 161 M CA 2.101 57.408 55.300 0.013 0.000 1.109 161 M CB -0.527 32.100 32.600 0.046 0.000 1.342 161 M HN 0.328 nan 8.290 nan 0.000 0.405 162 A N 0.462 123.218 122.820 -0.107 0.000 1.902 162 A HA -0.134 4.185 4.320 -0.000 0.000 0.217 162 A C 2.053 179.617 177.584 -0.033 0.000 1.181 162 A CA 1.520 53.496 52.037 -0.101 0.000 0.623 162 A CB -0.916 18.007 19.000 -0.129 0.000 0.818 162 A HN 0.480 nan 8.150 nan 0.000 0.443 163 I N -0.851 119.696 120.570 -0.038 0.000 2.286 163 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 163 I C 2.723 178.890 176.117 0.083 0.000 1.115 163 I CA 1.714 63.080 61.300 0.110 0.000 1.392 163 I CB -0.251 37.776 38.000 0.045 0.000 1.065 163 I HN 0.390 nan 8.210 nan 0.000 0.418 164 Q N 1.368 121.107 119.800 -0.103 0.000 2.119 164 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 164 Q C 2.100 177.818 176.000 -0.469 0.000 0.972 164 Q CA 1.639 57.119 55.803 -0.538 0.000 0.847 164 Q CB -0.346 27.528 28.738 -1.440 0.000 0.903 164 Q HN 0.481 nan 8.270 nan 0.000 0.433 165 L N -0.119 120.928 121.223 -0.294 0.000 2.191 165 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 165 L C 2.310 179.159 176.870 -0.035 0.000 1.103 165 L CA 0.874 55.621 54.840 -0.154 0.000 0.769 165 L CB -0.691 41.336 42.059 -0.052 0.000 0.908 165 L HN 0.298 nan 8.230 nan 0.000 0.438 166 A N -0.068 122.784 122.820 0.053 0.000 1.940 166 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 166 A C 2.168 179.840 177.584 0.147 0.000 1.176 166 A CA 1.629 53.809 52.037 0.237 0.000 0.631 166 A CB -0.389 18.857 19.000 0.410 0.000 0.814 166 A HN 0.467 nan 8.150 nan 0.000 0.446 167 E N -0.323 119.852 120.200 -0.042 0.000 2.118 167 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 167 E C 1.919 178.500 176.600 -0.031 0.000 0.992 167 E CA 1.239 57.591 56.400 -0.079 0.000 0.804 167 E CB -0.284 29.308 29.700 -0.180 0.000 0.741 167 E HN 0.671 nan 8.360 nan 0.000 0.458 168 L N -0.334 120.862 121.223 -0.045 0.000 2.044 168 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 168 L C 2.536 179.415 176.870 0.015 0.000 1.075 168 L CA 1.014 55.858 54.840 0.007 0.000 0.747 168 L CB -0.457 41.614 42.059 0.020 0.000 0.903 168 L HN 0.150 nan 8.230 nan 0.000 0.435 169 Y N -0.080 120.150 120.300 -0.116 0.000 2.145 169 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 169 Y C 2.079 177.823 175.900 -0.259 0.000 1.145 169 Y CA 1.624 59.588 58.100 -0.226 0.000 1.148 169 Y CB -0.285 37.949 38.460 -0.378 0.000 0.981 169 Y HN 0.078 nan 8.280 nan 0.000 0.507 170 Y N 0.260 120.545 120.300 -0.025 0.000 2.490 170 Y HA 0.103 4.652 4.550 -0.000 0.000 0.281 170 Y C 1.068 176.900 175.900 -0.114 0.000 1.174 170 Y CA 0.442 58.479 58.100 -0.105 0.000 1.295 170 Y CB -0.523 37.898 38.460 -0.066 0.000 1.062 170 Y HN 0.147 nan 8.280 nan 0.000 0.522 171 N N 1.827 120.531 118.700 0.007 0.000 2.714 171 N HA -0.218 4.522 4.740 -0.000 0.000 0.253 171 N C -1.429 174.089 175.510 0.013 0.000 1.024 171 N CA 1.056 54.105 53.050 -0.002 0.000 0.726 171 N CB -1.067 37.405 38.487 -0.025 0.000 0.908 171 N HN 0.421 nan 8.380 nan 0.000 0.542 172 D N -0.333 120.070 120.400 0.004 0.000 2.402 172 D HA 0.315 4.954 4.640 -0.000 0.000 0.252 172 D C -2.214 174.060 176.300 -0.043 0.000 1.294 172 D CA -1.491 52.492 54.000 -0.028 0.000 0.948 172 D CB 1.301 42.053 40.800 -0.080 0.000 1.202 172 D HN 0.066 nan 8.370 nan 0.000 0.561 173 P HA 0.039 nan 4.420 nan 0.000 0.253 173 P C 0.829 178.139 177.300 0.016 0.000 1.281 173 P CA 0.347 63.455 63.100 0.013 0.000 0.792 173 P CB -0.039 31.687 31.700 0.043 0.000 1.193 174 T N -4.831 109.714 114.554 -0.015 0.000 3.054 174 T HA 0.210 4.560 4.350 -0.000 0.000 0.255 174 T C 1.650 176.333 174.700 -0.029 0.000 1.035 174 T CA -0.073 62.025 62.100 -0.003 0.000 0.941 174 T CB -0.716 68.148 68.868 -0.007 0.000 1.026 174 T HN -0.074 nan 8.240 nan 0.000 0.533 175 I N 0.104 120.617 120.570 -0.096 0.000 2.163 175 I HA 0.019 4.189 4.170 -0.000 0.000 0.240 175 I C 2.145 178.232 176.117 -0.050 0.000 1.081 175 I CA 1.459 62.658 61.300 -0.167 0.000 1.353 175 I CB -0.406 37.361 38.000 -0.387 0.000 1.054 175 I HN 0.193 nan 8.210 nan 0.000 0.407 176 F N 2.160 122.050 119.950 -0.099 0.000 2.146 176 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 176 F C 2.090 177.908 175.800 0.030 0.000 1.096 176 F CA 1.776 59.758 58.000 -0.031 0.000 1.275 176 F CB -0.218 38.757 39.000 -0.042 0.000 1.008 176 F HN 0.111 nan 8.300 nan 0.000 0.480 177 D N 0.206 120.718 120.400 0.188 0.000 2.092 177 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 177 D C 2.102 178.419 176.300 0.028 0.000 0.994 177 D CA 1.543 55.622 54.000 0.131 0.000 0.828 177 D CB -0.608 40.263 40.800 0.118 0.000 0.963 177 D HN 0.348 nan 8.370 nan 0.000 0.450 178 E N 0.095 120.302 120.200 0.011 0.000 2.107 178 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 178 E C 2.468 179.081 176.600 0.020 0.000 0.982 178 E CA 0.259 56.666 56.400 0.012 0.000 0.809 178 E CB -0.079 29.624 29.700 0.006 0.000 0.756 178 E HN 0.357 nan 8.360 nan 0.000 0.459 179 L N -0.109 121.104 121.223 -0.017 0.000 2.127 179 L HA -0.058 4.282 4.340 -0.000 0.000 0.203 179 L C 2.242 179.184 176.870 0.121 0.000 1.080 179 L CA 0.718 55.610 54.840 0.087 0.000 0.768 179 L CB 0.020 42.071 42.059 -0.013 0.000 0.924 179 L HN -0.034 nan 8.230 nan 0.000 0.444 180 V N -1.318 118.465 119.914 -0.218 0.000 2.854 180 V HA 0.167 4.287 4.120 -0.000 0.000 0.236 180 V C 2.319 178.305 176.094 -0.179 0.000 1.157 180 V CA 0.997 63.119 62.300 -0.297 0.000 1.187 180 V CB 0.142 31.396 31.823 -0.947 0.000 0.949 180 V HN 0.260 nan 8.190 nan 0.000 0.488 181 A N 0.133 122.849 122.820 -0.172 0.000 1.930 181 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 181 A C 2.066 179.686 177.584 0.060 0.000 1.175 181 A CA 1.703 53.786 52.037 0.077 0.000 0.627 181 A CB -0.377 18.762 19.000 0.232 0.000 0.815 181 A HN 0.508 nan 8.150 nan 0.000 0.443 182 K N -0.227 120.196 120.400 0.039 0.000 2.486 182 K HA 0.045 4.365 4.320 -0.000 0.000 0.194 182 K C 0.184 176.806 176.600 0.036 0.000 1.033 182 K CA 0.456 56.768 56.287 0.042 0.000 1.004 182 K CB 0.089 32.613 32.500 0.040 0.000 0.798 182 K HN 0.329 nan 8.250 nan 0.000 0.495 183 N N 0.448 119.168 118.700 0.033 0.000 2.235 183 N HA 0.033 4.773 4.740 -0.000 0.000 0.231 183 N C -0.666 174.859 175.510 0.025 0.000 1.177 183 N CA 0.135 53.200 53.050 0.025 0.000 0.874 183 N CB 1.177 39.680 38.487 0.027 0.000 1.097 183 N HN 0.103 nan 8.380 nan 0.000 0.518 184 S N -0.131 115.594 115.700 0.041 0.000 2.683 184 S HA 0.198 4.668 4.470 -0.000 0.000 0.269 184 S C -0.830 173.806 174.600 0.059 0.000 1.165 184 S CA -0.788 57.444 58.200 0.055 0.000 0.840 184 S CB 0.601 63.862 63.200 0.102 0.000 1.169 184 S HN 0.076 nan 8.310 nan 0.000 0.490 185 N N 0.588 119.323 118.700 0.060 0.000 2.320 185 N HA 0.250 4.990 4.740 -0.000 0.000 0.237 185 N C -0.543 175.008 175.510 0.069 0.000 1.129 185 N CA -0.369 52.715 53.050 0.056 0.000 0.854 185 N CB -0.426 38.083 38.487 0.036 0.000 1.083 185 N HN 0.625 nan 8.380 nan 0.000 0.504 186 L N 0.462 121.749 121.223 0.105 0.000 2.282 186 L HA 0.525 4.865 4.340 -0.000 0.000 0.288 186 L C 0.239 177.244 176.870 0.224 0.000 1.033 186 L CA -0.657 54.259 54.840 0.125 0.000 0.807 186 L CB 1.123 43.281 42.059 0.165 0.000 1.209 186 L HN 0.139 nan 8.230 nan 0.000 0.423 187 R N 2.860 123.427 120.500 0.111 0.000 2.584 187 R HA 0.481 4.821 4.340 -0.000 0.000 0.276 187 R C -1.721 174.531 176.300 -0.080 0.000 1.046 187 R CA -0.598 55.604 56.100 0.169 0.000 0.906 187 R CB 1.717 32.101 30.300 0.139 0.000 1.215 187 R HN 0.309 nan 8.270 nan 0.000 0.449 188 F N 1.596 121.462 119.950 -0.141 0.000 2.385 188 F HA 0.371 4.898 4.527 -0.000 0.000 0.336 188 F C 0.420 176.221 175.800 0.003 0.000 1.100 188 F CA 0.185 58.097 58.000 -0.147 0.000 1.116 188 F CB 2.028 40.846 39.000 -0.302 0.000 1.166 188 F HN 0.395 nan 8.300 nan 0.000 0.511 189 S N 1.756 117.578 115.700 0.203 0.000 2.608 189 S HA 0.374 4.844 4.470 -0.000 0.000 0.291 189 S C -0.694 173.951 174.600 0.076 0.000 1.146 189 S CA -0.927 57.345 58.200 0.120 0.000 1.043 189 S CB 1.835 65.062 63.200 0.045 0.000 1.037 189 S HN 0.551 nan 8.310 nan 0.000 0.520 190 E N 1.184 121.350 120.200 -0.057 0.000 2.212 190 E HA 0.404 4.753 4.350 -0.000 0.000 0.268 190 E C -1.899 174.552 176.600 -0.247 0.000 0.902 190 E CA -0.425 55.767 56.400 -0.347 0.000 0.779 190 E CB 1.776 31.254 29.700 -0.370 0.000 1.172 190 E HN 0.585 nan 8.360 nan 0.000 0.409 191 D N 3.053 123.272 120.400 -0.300 0.000 2.616 191 D HA 0.158 4.798 4.640 -0.000 0.000 0.238 191 D C -0.551 175.638 176.300 -0.185 0.000 1.354 191 D CA -0.359 53.533 54.000 -0.180 0.000 0.970 191 D CB 0.372 41.104 40.800 -0.114 0.000 1.369 191 D HN 0.595 nan 8.370 nan 0.000 0.585 192 N N 3.183 121.795 118.700 -0.147 0.000 2.714 192 N HA -0.225 4.515 4.740 -0.000 0.000 0.252 192 N C 0.939 176.375 175.510 -0.124 0.000 1.014 192 N CA 2.334 55.319 53.050 -0.108 0.000 0.735 192 N CB -0.976 37.468 38.487 -0.072 0.000 0.924 192 N HN 0.919 nan 8.380 nan 0.000 0.540 193 G N -2.832 105.850 108.800 -0.197 0.000 2.195 193 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 193 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 193 G C 0.087 174.888 174.900 -0.164 0.000 0.984 193 G CA 0.365 45.381 45.100 -0.141 0.000 0.633 193 G HN 0.689 nan 8.290 nan 0.000 0.525 194 S N -0.463 115.075 115.700 -0.271 0.000 2.537 194 S HA 0.816 5.286 4.470 -0.000 0.000 0.301 194 S C -0.968 173.405 174.600 -0.379 0.000 1.092 194 S CA -0.453 57.649 58.200 -0.163 0.000 1.048 194 S CB 1.432 64.593 63.200 -0.065 0.000 1.053 194 S HN 0.343 nan 8.310 nan 0.000 0.501 195 Y N 0.238 120.520 120.300 -0.031 0.000 2.462 195 Y HA 0.623 5.173 4.550 -0.000 0.000 0.346 195 Y C -0.445 175.561 175.900 0.177 0.000 0.976 195 Y CA -0.903 57.205 58.100 0.014 0.000 1.044 195 Y CB 1.608 39.931 38.460 -0.227 0.000 1.230 195 Y HN 0.305 nan 8.280 nan 0.000 0.455 196 V N 4.405 124.543 119.914 0.374 0.000 2.577 196 V HA 0.419 4.539 4.120 -0.000 0.000 0.303 196 V C -0.999 175.113 176.094 0.030 0.000 1.042 196 V CA -0.882 61.546 62.300 0.214 0.000 0.872 196 V CB 2.210 34.069 31.823 0.059 0.000 0.998 196 V HN 0.661 nan 8.190 nan 0.000 0.423 197 L N 5.517 126.539 121.223 -0.335 0.000 2.305 197 L HA 0.635 4.975 4.340 -0.000 0.000 0.284 197 L C 0.005 176.687 176.870 -0.314 0.000 1.013 197 L CA -0.393 54.054 54.840 -0.654 0.000 0.819 197 L CB 0.973 42.169 42.059 -1.438 0.000 1.227 197 L HN 0.606 nan 8.230 nan 0.000 0.417 198 R N 5.792 126.171 120.500 -0.201 0.000 2.198 198 R HA 0.410 4.750 4.340 -0.000 0.000 0.339 198 R C -0.606 175.631 176.300 -0.105 0.000 1.020 198 R CA -0.787 55.239 56.100 -0.123 0.000 0.864 198 R CB 1.076 31.330 30.300 -0.077 0.000 1.105 198 R HN 0.543 nan 8.270 nan 0.000 0.463 199 M N 4.247 123.792 119.600 -0.091 0.000 2.239 199 M HA 0.175 4.655 4.480 -0.000 0.000 0.348 199 M C -1.931 174.351 176.300 -0.030 0.000 1.239 199 M CA -2.402 52.867 55.300 -0.053 0.000 1.114 199 M CB 0.115 32.696 32.600 -0.033 0.000 1.641 199 M HN 0.262 nan 8.290 nan 0.000 0.453 200 P HA 0.097 nan 4.420 nan 0.000 0.270 200 P C -0.378 176.921 177.300 -0.003 0.000 1.223 200 P CA -0.388 62.708 63.100 -0.006 0.000 0.785 200 P CB 0.182 31.884 31.700 0.004 0.000 0.923 201 S N 0.094 115.791 115.700 -0.004 0.000 2.569 201 S HA 0.001 4.471 4.470 -0.000 0.000 0.274 201 S C 1.285 175.886 174.600 0.002 0.000 1.353 201 S CA 0.057 58.255 58.200 -0.003 0.000 1.023 201 S CB -0.160 63.037 63.200 -0.005 0.000 0.876 201 S HN 0.359 nan 8.310 nan 0.000 0.540 202 S N 1.635 117.336 115.700 0.002 0.000 2.383 202 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 202 S C 1.710 176.309 174.600 -0.002 0.000 1.030 202 S CA 1.700 59.902 58.200 0.004 0.000 1.002 202 S CB -0.605 62.596 63.200 0.001 0.000 0.829 202 S HN 0.846 nan 8.310 nan 0.000 0.467 203 E N 0.983 121.180 120.200 -0.005 0.000 2.204 203 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 203 E C 1.925 178.522 176.600 -0.006 0.000 0.990 203 E CA 0.773 57.169 56.400 -0.008 0.000 0.821 203 E CB -0.067 29.628 29.700 -0.008 0.000 0.750 203 E HN 0.370 nan 8.360 nan 0.000 0.477 204 R N 0.035 120.533 120.500 -0.002 0.000 2.317 204 R HA 0.227 4.567 4.340 -0.000 0.000 0.208 204 R C 0.113 176.416 176.300 0.004 0.000 0.914 204 R CA -0.151 55.949 56.100 -0.000 0.000 1.060 204 R CB 0.128 30.428 30.300 -0.000 0.000 1.015 204 R HN 0.166 nan 8.270 nan 0.000 0.498 205 I N 2.058 122.632 120.570 0.007 0.000 2.710 205 I HA -0.074 4.096 4.170 -0.000 0.000 0.286 205 I C 0.166 176.287 176.117 0.007 0.000 1.181 205 I CA 0.882 62.192 61.300 0.016 0.000 1.430 205 I CB 0.471 38.485 38.000 0.024 0.000 1.367 205 I HN 0.001 nan 8.210 nan 0.000 0.577 206 E N 6.717 126.925 120.200 0.013 0.000 2.187 206 E HA 0.572 4.922 4.350 -0.000 0.000 0.268 206 E C -1.027 175.575 176.600 0.003 0.000 0.896 206 E CA -0.689 55.713 56.400 0.003 0.000 0.766 206 E CB 2.371 32.075 29.700 0.007 0.000 1.142 206 E HN 0.319 nan 8.360 nan 0.000 0.408 207 I N 2.254 122.811 120.570 -0.021 0.000 2.608 207 I HA 0.201 4.371 4.170 -0.000 0.000 0.295 207 I C -0.275 175.814 176.117 -0.047 0.000 1.049 207 I CA -0.990 60.285 61.300 -0.041 0.000 1.063 207 I CB 1.780 39.723 38.000 -0.094 0.000 1.248 207 I HN 0.469 nan 8.210 nan 0.000 0.424 208 N N 5.437 124.109 118.700 -0.046 0.000 2.402 208 N HA 0.027 4.767 4.740 -0.000 0.000 0.259 208 N C 1.017 176.485 175.510 -0.070 0.000 1.167 208 N CA 0.013 53.037 53.050 -0.044 0.000 0.949 208 N CB 0.596 39.067 38.487 -0.026 0.000 1.212 208 N HN 0.597 nan 8.380 nan 0.000 0.493 209 K N 1.104 121.466 120.400 -0.062 0.000 2.442 209 K HA -0.093 4.227 4.320 -0.000 0.000 0.198 209 K C 1.139 177.702 176.600 -0.061 0.000 1.042 209 K CA 1.178 57.421 56.287 -0.072 0.000 0.958 209 K CB -0.029 32.436 32.500 -0.058 0.000 0.766 209 K HN 0.410 nan 8.250 nan 0.000 0.474 210 S N -0.147 115.526 115.700 -0.043 0.000 2.522 210 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 210 S C 1.710 176.293 174.600 -0.028 0.000 0.986 210 S CA 0.650 58.834 58.200 -0.027 0.000 0.929 210 S CB 0.186 63.380 63.200 -0.009 0.000 0.769 210 S HN 0.347 nan 8.310 nan 0.000 0.529 211 K N 0.248 120.610 120.400 -0.063 0.000 2.485 211 K HA 0.518 4.838 4.320 -0.000 0.000 0.200 211 K C -0.120 176.336 176.600 -0.241 0.000 1.352 211 K CA 0.248 56.485 56.287 -0.083 0.000 0.953 211 K CB 0.516 32.984 32.500 -0.052 0.000 1.387 211 K HN 0.436 nan 8.250 nan 0.000 0.512 212 I N 1.408 121.804 120.570 -0.290 0.000 2.730 212 I HA 0.400 4.569 4.170 -0.000 0.000 0.298 212 I C -0.891 175.041 176.117 -0.309 0.000 1.089 212 I CA -0.942 60.091 61.300 -0.446 0.000 1.041 212 I CB 2.329 40.022 38.000 -0.513 0.000 1.235 212 I HN -0.056 nan 8.210 nan 0.000 0.423 213 M N 6.210 125.617 119.600 -0.321 0.000 2.465 213 M HA 0.616 5.096 4.480 -0.000 0.000 0.316 213 M C -0.847 175.235 176.300 -0.364 0.000 1.121 213 M CA -0.694 54.448 55.300 -0.263 0.000 0.934 213 M CB 2.729 35.228 32.600 -0.169 0.000 1.692 213 M HN 0.454 nan 8.290 nan 0.000 0.444 214 I N -1.006 119.369 120.570 -0.325 0.000 2.846 214 I HA 0.802 4.971 4.170 -0.000 0.000 0.307 214 I C -0.971 175.048 176.117 -0.164 0.000 1.053 214 I CA -0.859 60.243 61.300 -0.330 0.000 1.050 214 I CB 2.011 39.783 38.000 -0.381 0.000 1.239 214 I HN 0.610 nan 8.210 nan 0.000 0.439 215 R N 2.000 122.435 120.500 -0.108 0.000 2.836 215 R HA 0.362 4.702 4.340 -0.000 0.000 0.269 215 R C 0.581 176.867 176.300 -0.023 0.000 1.010 215 R CA -0.277 55.791 56.100 -0.053 0.000 0.930 215 R CB 1.962 32.242 30.300 -0.033 0.000 1.218 215 R HN 0.905 nan 8.270 nan 0.000 0.473 216 S N -0.225 115.467 115.700 -0.013 0.000 2.481 216 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 216 S C 1.082 175.687 174.600 0.008 0.000 0.996 216 S CA 0.470 58.668 58.200 -0.002 0.000 0.942 216 S CB -0.214 62.979 63.200 -0.011 0.000 0.768 216 S HN 0.581 nan 8.310 nan 0.000 0.520 217 M N -0.232 119.377 119.600 0.015 0.000 2.550 217 M HA 0.572 5.052 4.480 -0.000 0.000 0.292 217 M C 0.659 176.986 176.300 0.045 0.000 1.221 217 M CA -0.830 54.489 55.300 0.031 0.000 0.873 217 M CB 1.689 34.310 32.600 0.035 0.000 1.727 217 M HN -0.101 nan 8.290 nan 0.000 0.459 218 E N 2.160 122.398 120.200 0.063 0.000 2.160 218 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 218 E C 1.261 177.920 176.600 0.098 0.000 0.991 218 E CA 1.778 58.233 56.400 0.091 0.000 0.810 218 E CB -0.383 29.353 29.700 0.060 0.000 0.742 218 E HN 0.867 nan 8.360 nan 0.000 0.466 219 M N 0.918 120.564 119.600 0.078 0.000 2.279 219 M HA -0.038 4.441 4.480 -0.000 0.000 0.264 219 M C 1.843 178.107 176.300 -0.059 0.000 1.062 219 M CA 1.184 56.496 55.300 0.021 0.000 1.099 219 M CB -0.823 31.812 32.600 0.058 0.000 1.394 219 M HN 0.192 nan 8.290 nan 0.000 0.426 220 E N 0.313 120.516 120.200 0.005 0.000 2.274 220 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 220 E C 2.065 178.638 176.600 -0.046 0.000 0.996 220 E CA 0.608 57.037 56.400 0.048 0.000 0.840 220 E CB -0.173 29.565 29.700 0.063 0.000 0.772 220 E HN 0.493 nan 8.360 nan 0.000 0.491 221 L N 0.629 121.784 121.223 -0.113 0.000 2.201 221 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 221 L C 2.290 178.805 176.870 -0.591 0.000 1.105 221 L CA 0.593 55.273 54.840 -0.266 0.000 0.775 221 L CB -0.358 41.614 42.059 -0.144 0.000 0.913 221 L HN 0.152 nan 8.230 nan 0.000 0.440 222 I N -0.599 119.647 120.570 -0.540 0.000 2.194 222 I HA -0.341 3.829 4.170 -0.000 0.000 0.246 222 I C 2.674 178.593 176.117 -0.329 0.000 1.093 222 I CA 1.241 62.227 61.300 -0.524 0.000 1.355 222 I CB -0.570 37.195 38.000 -0.392 0.000 1.046 222 I HN 0.360 nan 8.210 nan 0.000 0.413 223 H N 0.652 119.643 119.070 -0.131 0.000 2.387 223 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 223 H C 2.396 177.662 175.328 -0.104 0.000 1.090 223 H CA 1.310 57.312 56.048 -0.076 0.000 1.332 223 H CB -0.346 29.383 29.762 -0.056 0.000 1.386 223 H HN 0.365 nan 8.280 nan 0.000 0.516 224 L N 0.064 121.254 121.223 -0.056 0.000 2.093 224 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 224 L C 2.620 179.410 176.870 -0.133 0.000 1.085 224 L CA 0.490 55.274 54.840 -0.094 0.000 0.755 224 L CB -0.294 41.688 42.059 -0.128 0.000 0.904 224 L HN 0.048 nan 8.230 nan 0.000 0.435 225 V N -0.201 119.560 119.914 -0.256 0.000 2.379 225 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 225 V C 2.293 178.377 176.094 -0.017 0.000 1.044 225 V CA 1.538 63.717 62.300 -0.202 0.000 1.036 225 V CB -0.415 31.127 31.823 -0.470 0.000 0.664 225 V HN 0.428 nan 8.190 nan 0.000 0.453 226 E N 0.846 121.070 120.200 0.040 0.000 2.153 226 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 226 E C 2.195 178.818 176.600 0.038 0.000 0.988 226 E CA 1.563 58.011 56.400 0.081 0.000 0.811 226 E CB -0.175 29.582 29.700 0.096 0.000 0.746 226 E HN 0.735 nan 8.360 nan 0.000 0.466 227 S N -0.989 114.722 115.700 0.019 0.000 2.603 227 S HA 0.149 4.619 4.470 -0.000 0.000 0.220 227 S C 1.595 176.190 174.600 -0.007 0.000 0.967 227 S CA 0.365 58.568 58.200 0.006 0.000 0.920 227 S CB 0.527 63.727 63.200 0.001 0.000 0.773 227 S HN 0.362 nan 8.310 nan 0.000 0.529 228 G N 1.197 109.990 108.800 -0.013 0.000 2.159 228 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.256 228 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.256 228 G C 0.494 175.377 174.900 -0.029 0.000 0.977 228 G CA 0.405 45.493 45.100 -0.021 0.000 0.652 228 G HN 0.577 nan 8.290 nan 0.000 0.531 229 E N -0.687 119.492 120.200 -0.036 0.000 2.347 229 E HA 0.237 4.587 4.350 -0.000 0.000 0.196 229 E C 0.956 177.532 176.600 -0.041 0.000 1.008 229 E CA 0.489 56.865 56.400 -0.039 0.000 0.852 229 E CB 0.191 29.863 29.700 -0.046 0.000 0.783 229 E HN 0.565 nan 8.360 nan 0.000 0.505 230 L N 0.261 121.455 121.223 -0.049 0.000 2.401 230 L HA 0.235 4.575 4.340 -0.000 0.000 0.266 230 L C 0.335 177.186 176.870 -0.031 0.000 0.991 230 L CA -0.699 54.126 54.840 -0.024 0.000 0.818 230 L CB 2.104 44.138 42.059 -0.042 0.000 1.321 230 L HN -0.147 nan 8.230 nan 0.000 0.413 231 D N 0.663 121.070 120.400 0.011 0.000 2.162 231 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 231 D C -0.471 175.601 176.300 -0.379 0.000 0.964 231 D CA 1.650 55.556 54.000 -0.157 0.000 0.847 231 D CB 0.434 41.213 40.800 -0.035 0.000 0.988 231 D HN 0.252 nan 8.370 nan 0.000 0.480 232 Y N -0.830 119.584 120.300 0.190 0.000 2.545 232 Y HA 0.414 4.964 4.550 -0.000 0.000 0.348 232 Y C -0.468 175.615 175.900 0.305 0.000 1.002 232 Y CA -1.406 56.822 58.100 0.214 0.000 1.039 232 Y CB 1.924 40.441 38.460 0.095 0.000 1.271 232 Y HN -0.211 nan 8.280 nan 0.000 0.467 233 F N -0.722 119.260 119.950 0.053 0.000 2.608 233 F HA 0.710 5.237 4.527 -0.000 0.000 0.309 233 F C -1.945 173.788 175.800 -0.111 0.000 1.103 233 F CA -1.655 56.366 58.000 0.035 0.000 0.954 233 F CB 1.135 40.113 39.000 -0.037 0.000 1.267 233 F HN 0.217 nan 8.300 nan 0.000 0.444 234 F N 4.066 124.070 119.950 0.091 0.000 2.438 234 F HA 0.614 5.140 4.527 -0.000 0.000 0.356 234 F C -0.009 175.593 175.800 -0.330 0.000 1.099 234 F CA -0.264 57.653 58.000 -0.138 0.000 1.185 234 F CB 1.268 40.260 39.000 -0.014 0.000 1.115 234 F HN 0.511 nan 8.300 nan 0.000 0.526 235 I N 2.676 123.022 120.570 -0.374 0.000 3.066 235 I HA 0.359 4.528 4.170 -0.000 0.000 0.307 235 I C -1.578 174.284 176.117 -0.425 0.000 1.366 235 I CA -1.235 59.764 61.300 -0.502 0.000 0.972 235 I CB 1.188 38.665 38.000 -0.873 0.000 1.307 235 I HN 0.264 nan 8.210 nan 0.000 0.470 236 Y N 3.803 124.008 120.300 -0.159 0.000 2.480 236 Y HA 0.177 4.726 4.550 -0.000 0.000 0.338 236 Y C 1.648 177.403 175.900 -0.242 0.000 1.220 236 Y CA 0.397 58.410 58.100 -0.145 0.000 1.430 236 Y CB 0.409 38.844 38.460 -0.041 0.000 1.311 236 Y HN 0.568 nan 8.280 nan 0.000 0.575 237 K N 0.869 121.192 120.400 -0.128 0.000 2.063 237 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 237 K C 2.080 178.533 176.600 -0.245 0.000 1.048 237 K CA 1.849 57.901 56.287 -0.393 0.000 0.928 237 K CB -0.119 32.167 32.500 -0.356 0.000 0.713 237 K HN 0.845 nan 8.250 nan 0.000 0.442 238 S N -0.138 115.515 115.700 -0.079 0.000 2.368 238 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 238 S C 2.025 176.646 174.600 0.035 0.000 1.030 238 S CA 1.462 59.638 58.200 -0.040 0.000 0.999 238 S CB -0.617 62.550 63.200 -0.055 0.000 0.844 238 S HN 0.130 nan 8.310 nan 0.000 0.459 239 V N 2.595 122.572 119.914 0.105 0.000 2.358 239 V HA -0.038 4.082 4.120 -0.000 0.000 0.246 239 V C 3.161 179.412 176.094 0.262 0.000 1.047 239 V CA 1.440 63.874 62.300 0.223 0.000 1.035 239 V CB -1.529 30.436 31.823 0.236 0.000 0.658 239 V HN 0.668 nan 8.190 nan 0.000 0.452 240 A N 0.060 122.938 122.820 0.096 0.000 1.883 240 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 240 A C 2.295 180.027 177.584 0.246 0.000 1.186 240 A CA 2.222 54.370 52.037 0.184 0.000 0.624 240 A CB -0.446 18.479 19.000 -0.126 0.000 0.822 240 A HN 0.551 nan 8.150 nan 0.000 0.444 241 K N -0.736 119.720 120.400 0.093 0.000 2.057 241 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 241 K C 2.334 178.986 176.600 0.087 0.000 1.050 241 K CA 1.576 57.936 56.287 0.122 0.000 0.935 241 K CB -0.216 32.324 32.500 0.067 0.000 0.715 241 K HN 0.605 nan 8.250 nan 0.000 0.439 242 Q N -0.185 119.665 119.800 0.084 0.000 2.135 242 Q HA -0.146 4.193 4.340 -0.000 0.000 0.204 242 Q C 1.400 177.329 176.000 -0.120 0.000 0.981 242 Q CA 1.228 57.026 55.803 -0.009 0.000 0.856 242 Q CB 0.024 28.773 28.738 0.019 0.000 0.902 242 Q HN 0.462 nan 8.270 nan 0.000 0.425 243 H N -1.817 117.277 119.070 0.040 0.000 2.549 243 H HA 0.195 4.751 4.556 -0.000 0.000 0.279 243 H C 0.797 175.944 175.328 -0.302 0.000 1.018 243 H CA 0.574 56.577 56.048 -0.076 0.000 1.175 243 H CB 0.988 30.794 29.762 0.074 0.000 1.485 243 H HN 0.453 nan 8.280 nan 0.000 0.543 244 G N 1.274 110.030 108.800 -0.073 0.000 2.160 244 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.251 244 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.251 244 G C -0.180 174.625 174.900 -0.158 0.000 1.008 244 G CA -0.120 44.907 45.100 -0.122 0.000 0.724 244 G HN 0.168 nan 8.290 nan 0.000 0.514 245 F N 1.195 121.210 119.950 0.108 0.000 2.389 245 F HA 0.397 4.923 4.527 -0.000 0.000 0.337 245 F C 1.192 176.987 175.800 -0.008 0.000 1.112 245 F CA -0.948 57.087 58.000 0.058 0.000 1.192 245 F CB 0.502 39.589 39.000 0.146 0.000 1.185 245 F HN 0.007 nan 8.300 nan 0.000 0.552 246 N N 2.169 120.831 118.700 -0.062 0.000 2.415 246 N HA 0.316 5.056 4.740 -0.000 0.000 0.248 246 N C -0.842 174.488 175.510 -0.300 0.000 1.271 246 N CA 0.144 52.940 53.050 -0.425 0.000 0.913 246 N CB 0.621 38.476 38.487 -1.053 0.000 1.129 246 N HN 0.519 nan 8.380 nan 0.000 0.444 247 F N -3.178 116.633 119.950 -0.230 0.000 2.678 247 F HA 0.512 5.038 4.527 -0.000 0.000 0.308 247 F C -1.175 174.714 175.800 0.149 0.000 1.118 247 F CA -1.315 56.684 58.000 -0.001 0.000 0.959 247 F CB 0.569 39.536 39.000 -0.054 0.000 1.305 247 F HN 0.030 nan 8.300 nan 0.000 0.443 248 V N 1.898 122.016 119.914 0.341 0.000 2.407 248 V HA 0.269 4.388 4.120 -0.000 0.000 0.278 248 V C -0.066 176.113 176.094 0.142 0.000 1.037 248 V CA -0.631 61.762 62.300 0.156 0.000 0.900 248 V CB 1.211 33.066 31.823 0.054 0.000 0.983 248 V HN 0.783 nan 8.190 nan 0.000 0.459 249 E N 4.406 124.685 120.200 0.132 0.000 2.316 249 E HA 0.360 4.710 4.350 -0.000 0.000 0.275 249 E C -0.732 175.833 176.600 -0.059 0.000 1.029 249 E CA -0.267 56.183 56.400 0.084 0.000 0.871 249 E CB 1.144 30.911 29.700 0.111 0.000 1.022 249 E HN 0.488 nan 8.360 nan 0.000 0.418 250 L N 4.416 125.549 121.223 -0.151 0.000 2.421 250 L HA 0.335 4.675 4.340 -0.000 0.000 0.263 250 L C -2.057 174.721 176.870 -0.154 0.000 1.122 250 L CA -2.290 52.417 54.840 -0.222 0.000 0.804 250 L CB 0.176 42.041 42.059 -0.324 0.000 1.150 250 L HN 0.262 nan 8.230 nan 0.000 0.457 251 P HA -0.096 nan 4.420 nan 0.000 0.265 251 P C 0.715 177.816 177.300 -0.333 0.000 1.187 251 P CA 0.118 62.989 63.100 -0.381 0.000 0.766 251 P CB 0.662 31.778 31.700 -0.973 0.000 0.820 252 V N 2.911 122.633 119.914 -0.320 0.000 2.568 252 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 252 V C 1.522 177.393 176.094 -0.371 0.000 1.072 252 V CA 2.054 64.166 62.300 -0.314 0.000 1.084 252 V CB -0.887 30.710 31.823 -0.377 0.000 0.676 252 V HN 0.521 nan 8.190 nan 0.000 0.469 253 E N 0.116 120.017 120.200 -0.498 0.000 2.409 253 E HA -0.041 4.309 4.350 -0.000 0.000 0.198 253 E C 1.625 178.231 176.600 0.010 0.000 1.024 253 E CA 1.481 57.705 56.400 -0.293 0.000 0.861 253 E CB -0.058 29.501 29.700 -0.236 0.000 0.788 253 E HN 0.923 nan 8.360 nan 0.000 0.521 254 I N -3.106 117.425 120.570 -0.065 0.000 4.439 254 I HA 0.186 4.356 4.170 -0.000 0.000 0.331 254 I C 0.608 176.651 176.117 -0.123 0.000 1.345 254 I CA -0.077 61.206 61.300 -0.029 0.000 1.193 254 I CB 0.620 38.579 38.000 -0.069 0.000 1.221 254 I HN -0.159 nan 8.210 nan 0.000 0.429 255 D N 1.944 122.253 120.400 -0.152 0.000 2.340 255 D HA 0.081 4.721 4.640 -0.000 0.000 0.217 255 D C 1.168 177.287 176.300 -0.300 0.000 1.081 255 D CA -0.162 53.720 54.000 -0.196 0.000 0.842 255 D CB -0.044 40.672 40.800 -0.140 0.000 0.934 255 D HN 0.471 nan 8.370 nan 0.000 0.511 256 L N 0.139 120.935 121.223 -0.711 0.000 4.291 256 L HA -0.291 4.049 4.340 -0.000 0.000 0.413 256 L C 1.420 178.081 176.870 -0.349 0.000 1.162 256 L CA 0.688 54.919 54.840 -1.014 0.000 0.961 256 L CB -2.534 39.218 42.059 -0.512 0.000 2.095 256 L HN 0.288 nan 8.230 nan 0.000 0.838 257 S N -2.961 112.697 115.700 -0.071 0.000 2.456 257 S HA 0.100 4.570 4.470 -0.000 0.000 0.224 257 S C 0.827 175.548 174.600 0.201 0.000 1.035 257 S CA 0.571 58.816 58.200 0.076 0.000 0.940 257 S CB 0.733 63.965 63.200 0.053 0.000 0.799 257 S HN 0.399 nan 8.310 nan 0.000 0.508 258 S N 2.399 118.327 115.700 0.381 0.000 2.454 258 S HA 0.509 4.979 4.470 -0.000 0.000 0.306 258 S C -2.016 172.775 174.600 0.318 0.000 1.100 258 S CA -1.866 56.531 58.200 0.329 0.000 1.087 258 S CB 1.661 65.096 63.200 0.391 0.000 1.019 258 S HN 0.092 nan 8.310 nan 0.000 0.480 259 P HA -0.034 nan 4.420 nan 0.000 0.222 259 P C 0.247 177.555 177.300 0.014 0.000 1.147 259 P CA 0.916 64.085 63.100 0.115 0.000 0.790 259 P CB 0.079 31.823 31.700 0.074 0.000 0.780 260 D N -1.518 118.865 120.400 -0.027 0.000 2.363 260 D HA -0.070 4.569 4.640 -0.000 0.000 0.220 260 D C 0.749 176.705 176.300 -0.572 0.000 0.994 260 D CA 0.841 54.687 54.000 -0.257 0.000 0.890 260 D CB -0.416 40.205 40.800 -0.298 0.000 0.906 260 D HN 0.343 nan 8.370 nan 0.000 0.530 261 Y N -0.324 119.822 120.300 -0.257 0.000 2.636 261 Y HA 0.402 4.952 4.550 -0.000 0.000 0.260 261 Y C 1.871 177.268 175.900 -0.839 0.000 1.177 261 Y CA -0.467 57.303 58.100 -0.549 0.000 1.209 261 Y CB 0.225 38.284 38.460 -0.670 0.000 1.166 261 Y HN -0.119 nan 8.280 nan 0.000 0.531 262 A N 0.194 122.814 122.820 -0.334 0.000 1.940 262 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 262 A C 2.125 179.651 177.584 -0.096 0.000 1.176 262 A CA 1.825 53.787 52.037 -0.125 0.000 0.631 262 A CB -0.146 18.869 19.000 0.024 0.000 0.814 262 A HN 0.303 nan 8.150 nan 0.000 0.446 263 E N 0.007 120.138 120.200 -0.116 0.000 2.106 263 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 263 E C 2.068 178.646 176.600 -0.036 0.000 0.984 263 E CA 0.858 57.226 56.400 -0.054 0.000 0.806 263 E CB -0.408 29.257 29.700 -0.057 0.000 0.750 263 E HN 0.701 nan 8.360 nan 0.000 0.458 264 L N 0.010 121.184 121.223 -0.082 0.000 2.056 264 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 264 L C 2.503 179.429 176.870 0.093 0.000 1.078 264 L CA 1.032 55.871 54.840 -0.003 0.000 0.749 264 L CB -0.581 41.485 42.059 0.012 0.000 0.901 264 L HN 0.119 nan 8.230 nan 0.000 0.433 265 Y N 0.280 120.625 120.300 0.074 0.000 2.274 265 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 265 Y C 3.004 178.928 175.900 0.040 0.000 1.145 265 Y CA 0.870 59.000 58.100 0.050 0.000 1.203 265 Y CB -1.340 37.159 38.460 0.066 0.000 0.984 265 Y HN 0.298 nan 8.280 nan 0.000 0.533 266 S N -0.652 115.158 115.700 0.183 0.000 2.603 266 S HA -0.053 4.416 4.470 -0.000 0.000 0.229 266 S C 1.482 176.137 174.600 0.092 0.000 0.972 266 S CA 0.284 58.555 58.200 0.119 0.000 0.935 266 S CB -0.174 63.075 63.200 0.081 0.000 0.769 266 S HN 0.177 nan 8.310 nan 0.000 0.536 267 K N 1.645 122.105 120.400 0.099 0.000 2.525 267 K HA 0.190 4.510 4.320 -0.000 0.000 0.192 267 K C 0.741 177.414 176.600 0.122 0.000 1.029 267 K CA 0.271 56.619 56.287 0.101 0.000 1.029 267 K CB -0.110 32.460 32.500 0.116 0.000 0.814 267 K HN 0.618 nan 8.250 nan 0.000 0.503 268 V N -1.765 118.199 119.914 0.084 0.000 2.715 268 V HA 0.611 4.730 4.120 -0.000 0.000 0.310 268 V C -0.506 175.663 176.094 0.125 0.000 1.054 268 V CA -1.145 61.201 62.300 0.075 0.000 0.928 268 V CB 2.394 34.158 31.823 -0.098 0.000 1.007 268 V HN -0.009 nan 8.190 nan 0.000 0.437 269 K N 2.486 123.007 120.400 0.202 0.000 2.498 269 K HA 0.806 5.126 4.320 -0.000 0.000 0.254 269 K C -2.129 174.526 176.600 0.092 0.000 0.933 269 K CA -0.660 55.688 56.287 0.102 0.000 0.806 269 K CB 2.758 35.286 32.500 0.048 0.000 1.301 269 K HN 0.700 nan 8.250 nan 0.000 0.432 270 V N 3.290 123.172 119.914 -0.053 0.000 2.540 270 V HA 0.348 4.468 4.120 -0.000 0.000 0.302 270 V C -0.637 175.354 176.094 -0.172 0.000 1.035 270 V CA -0.963 61.249 62.300 -0.146 0.000 0.873 270 V CB 1.781 33.508 31.823 -0.161 0.000 0.992 270 V HN 0.531 nan 8.190 nan 0.000 0.428 271 V N 6.361 126.189 119.914 -0.144 0.000 2.348 271 V HA 0.352 4.471 4.120 -0.000 0.000 0.270 271 V C 0.314 176.342 176.094 -0.110 0.000 1.037 271 V CA -0.337 61.892 62.300 -0.119 0.000 0.872 271 V CB 0.925 32.696 31.823 -0.086 0.000 1.002 271 V HN 0.622 nan 8.190 nan 0.000 0.464 272 L N 3.486 124.641 121.223 -0.113 0.000 2.476 272 L HA 0.267 4.607 4.340 -0.000 0.000 0.264 272 L C 1.902 178.743 176.870 -0.048 0.000 1.224 272 L CA 0.048 54.844 54.840 -0.072 0.000 0.821 272 L CB 0.301 42.321 42.059 -0.066 0.000 1.101 272 L HN 0.690 nan 8.230 nan 0.000 0.488 273 A N 1.554 124.358 122.820 -0.027 0.000 2.070 273 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 273 A C 1.639 179.210 177.584 -0.022 0.000 1.159 273 A CA 1.566 53.590 52.037 -0.022 0.000 0.656 273 A CB -0.753 18.240 19.000 -0.011 0.000 0.800 273 A HN 0.934 nan 8.150 nan 0.000 0.453 274 N N -0.824 117.862 118.700 -0.023 0.000 2.521 274 N HA 0.192 4.932 4.740 -0.000 0.000 0.188 274 N C 1.029 176.523 175.510 -0.026 0.000 1.146 274 N CA 1.213 54.250 53.050 -0.021 0.000 0.893 274 N CB -0.476 37.999 38.487 -0.020 0.000 0.975 274 N HN 0.756 nan 8.380 nan 0.000 0.451 275 G N -0.589 108.190 108.800 -0.035 0.000 2.176 275 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 275 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 275 G C -0.186 174.684 174.900 -0.050 0.000 0.979 275 G CA 0.131 45.208 45.100 -0.038 0.000 0.641 275 G HN 0.363 nan 8.290 nan 0.000 0.530 276 K N 1.501 121.865 120.400 -0.061 0.000 2.326 276 K HA 0.448 4.768 4.320 -0.000 0.000 0.275 276 K C 0.436 176.968 176.600 -0.112 0.000 1.018 276 K CA 0.077 56.316 56.287 -0.081 0.000 0.962 276 K CB 0.750 33.199 32.500 -0.085 0.000 0.953 276 K HN 0.636 nan 8.250 nan 0.000 0.475 277 E N 1.269 121.399 120.200 -0.116 0.000 2.165 277 E HA 0.296 4.645 4.350 -0.000 0.000 0.266 277 E C -0.553 175.943 176.600 -0.173 0.000 0.889 277 E CA -0.990 55.330 56.400 -0.133 0.000 0.756 277 E CB 1.694 31.341 29.700 -0.087 0.000 1.131 277 E HN 0.312 nan 8.360 nan 0.000 0.411 278 V N 0.279 120.040 119.914 -0.255 0.000 2.417 278 V HA 0.551 4.671 4.120 -0.000 0.000 0.291 278 V C -0.089 175.890 176.094 -0.191 0.000 1.024 278 V CA -0.592 61.523 62.300 -0.309 0.000 0.861 278 V CB 1.554 32.970 31.823 -0.679 0.000 0.985 278 V HN 0.527 nan 8.190 nan 0.000 0.436 279 T N 3.861 118.356 114.554 -0.098 0.000 2.907 279 T HA 0.604 4.954 4.350 -0.000 0.000 0.284 279 T C 0.731 175.448 174.700 0.029 0.000 1.004 279 T CA 0.310 62.400 62.100 -0.016 0.000 1.063 279 T CB 1.446 70.318 68.868 0.007 0.000 0.992 279 T HN 1.309 nan 8.240 nan 0.000 0.483 280 G N 2.528 111.371 108.800 0.071 0.000 2.272 280 G HA2 0.357 4.317 3.960 -0.000 0.000 0.247 280 G HA3 0.357 4.317 3.960 -0.000 0.000 0.247 280 G C -0.486 174.510 174.900 0.160 0.000 1.272 280 G CA 0.025 45.187 45.100 0.103 0.000 0.921 280 G HN 0.591 nan 8.290 nan 0.000 0.495 281 K N 2.896 123.384 120.400 0.146 0.000 2.532 281 K HA 0.326 4.646 4.320 -0.000 0.000 0.265 281 K C -2.799 173.918 176.600 0.196 0.000 0.948 281 K CA -1.832 54.583 56.287 0.212 0.000 0.842 281 K CB 2.790 35.384 32.500 0.156 0.000 1.392 281 K HN 0.181 nan 8.250 nan 0.000 0.436 282 P HA 0.018 nan 4.420 nan 0.000 0.264 282 P C -0.588 176.814 177.300 0.170 0.000 1.183 282 P CA 0.173 63.422 63.100 0.250 0.000 0.763 282 P CB 0.278 32.150 31.700 0.288 0.000 0.807 283 I N 3.166 123.807 120.570 0.117 0.000 2.517 283 I HA 0.079 4.249 4.170 -0.000 0.000 0.285 283 I C 0.031 176.251 176.117 0.173 0.000 1.106 283 I CA 0.427 61.812 61.300 0.141 0.000 1.402 283 I CB 0.206 38.292 38.000 0.143 0.000 1.399 283 I HN 0.012 nan 8.210 nan 0.000 0.535 284 V N 7.403 127.453 119.914 0.227 0.000 2.668 284 V HA 0.325 4.445 4.120 -0.000 0.000 0.304 284 V C -0.480 175.772 176.094 0.263 0.000 1.071 284 V CA -0.771 61.657 62.300 0.214 0.000 0.894 284 V CB 1.612 33.539 31.823 0.173 0.000 1.008 284 V HN 0.433 nan 8.190 nan 0.000 0.425 285 Y N 1.927 122.072 120.300 -0.258 0.000 2.298 285 Y HA 0.690 5.240 4.550 -0.000 0.000 0.329 285 Y C 1.073 176.863 175.900 -0.182 0.000 1.293 285 Y CA -0.142 57.734 58.100 -0.373 0.000 1.388 285 Y CB 1.665 39.583 38.460 -0.903 0.000 1.309 285 Y HN 0.720 nan 8.280 nan 0.000 0.544 286 G N 1.040 109.981 108.800 0.235 0.000 2.660 286 G HA2 0.637 4.597 3.960 -0.000 0.000 0.294 286 G HA3 0.637 4.597 3.960 -0.000 0.000 0.294 286 G C -2.196 173.038 174.900 0.556 0.000 1.369 286 G CA -0.635 44.730 45.100 0.442 0.000 0.912 286 G HN 0.594 nan 8.290 nan 0.000 0.479 287 I N -0.050 120.803 120.570 0.472 0.000 2.769 287 I HA 0.793 4.962 4.170 -0.000 0.000 0.298 287 I C -0.635 175.577 176.117 0.158 0.000 1.128 287 I CA -0.458 61.017 61.300 0.292 0.000 1.031 287 I CB 2.616 40.714 38.000 0.163 0.000 1.235 287 I HN 0.692 nan 8.210 nan 0.000 0.423 288 T N 6.191 120.715 114.554 -0.050 0.000 2.816 288 T HA 0.595 4.945 4.350 -0.000 0.000 0.299 288 T C -1.451 173.018 174.700 -0.385 0.000 1.230 288 T CA -0.480 61.312 62.100 -0.513 0.000 1.007 288 T CB 1.318 69.864 68.868 -0.537 0.000 1.289 288 T HN 0.365 nan 8.240 nan 0.000 0.508 289 I N 3.699 123.912 120.570 -0.595 0.000 2.355 289 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 289 I C -2.248 173.715 176.117 -0.256 0.000 0.999 289 I CA -2.350 58.815 61.300 -0.226 0.000 1.163 289 I CB 2.001 40.040 38.000 0.064 0.000 1.316 289 I HN 0.439 nan 8.210 nan 0.000 0.454 290 P HA 0.108 nan 4.420 nan 0.000 0.270 290 P C 0.262 177.530 177.300 -0.053 0.000 1.223 290 P CA -0.307 62.735 63.100 -0.095 0.000 0.785 290 P CB 0.711 32.376 31.700 -0.058 0.000 0.923 291 K N 1.448 121.837 120.400 -0.019 0.000 2.209 291 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 291 K C 1.058 177.659 176.600 0.000 0.000 1.048 291 K CA 1.547 57.827 56.287 -0.012 0.000 0.940 291 K CB -0.381 32.100 32.500 -0.030 0.000 0.729 291 K HN 0.538 nan 8.250 nan 0.000 0.451 292 N N 0.348 119.058 118.700 0.017 0.000 2.268 292 N HA 0.046 4.785 4.740 -0.000 0.000 0.204 292 N C -0.248 175.257 175.510 -0.009 0.000 1.124 292 N CA -0.099 52.961 53.050 0.016 0.000 0.838 292 N CB 0.046 38.566 38.487 0.054 0.000 0.994 292 N HN -0.048 nan 8.380 nan 0.000 0.489 293 A N 0.710 123.513 122.820 -0.028 0.000 2.567 293 A HA 0.019 4.339 4.320 -0.000 0.000 0.240 293 A C 0.877 178.442 177.584 -0.032 0.000 1.053 293 A CA -0.021 51.985 52.037 -0.052 0.000 0.755 293 A CB 0.081 19.050 19.000 -0.052 0.000 0.978 293 A HN 0.487 nan 8.150 nan 0.000 0.507 294 E N 1.239 121.414 120.200 -0.041 0.000 2.299 294 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 294 E C -0.158 176.431 176.600 -0.018 0.000 0.998 294 E CA 0.465 56.851 56.400 -0.023 0.000 0.851 294 E CB 0.143 29.831 29.700 -0.021 0.000 0.795 294 E HN 0.700 nan 8.360 nan 0.000 0.492 295 N N 1.006 119.689 118.700 -0.029 0.000 2.696 295 N HA 0.096 4.836 4.740 -0.000 0.000 0.308 295 N C 0.357 175.860 175.510 -0.012 0.000 1.915 295 N CA -0.025 53.014 53.050 -0.019 0.000 0.906 295 N CB 0.967 39.437 38.487 -0.029 0.000 1.284 295 N HN 0.053 nan 8.380 nan 0.000 0.488 296 R N 1.298 121.800 120.500 0.003 0.000 2.081 296 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 296 R C 0.996 177.318 176.300 0.036 0.000 1.131 296 R CA 1.799 57.912 56.100 0.023 0.000 0.960 296 R CB 0.310 30.630 30.300 0.034 0.000 0.856 296 R HN 0.158 nan 8.270 nan 0.000 0.436 297 E N 0.649 120.868 120.200 0.031 0.000 2.058 297 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 297 E C 2.017 178.645 176.600 0.047 0.000 0.997 297 E CA 1.614 58.036 56.400 0.037 0.000 0.801 297 E CB -0.216 29.501 29.700 0.028 0.000 0.746 297 E HN 0.338 nan 8.360 nan 0.000 0.450 298 L N 0.322 121.570 121.223 0.041 0.000 2.141 298 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 298 L C 2.423 179.344 176.870 0.085 0.000 1.094 298 L CA 0.824 55.712 54.840 0.080 0.000 0.763 298 L CB -0.416 41.690 42.059 0.079 0.000 0.908 298 L HN 0.178 nan 8.230 nan 0.000 0.437 299 A N -0.313 122.517 122.820 0.018 0.000 1.902 299 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 299 A C 2.342 179.976 177.584 0.083 0.000 1.181 299 A CA 1.786 53.822 52.037 -0.002 0.000 0.623 299 A CB -0.801 18.187 19.000 -0.019 0.000 0.818 299 A HN 0.186 nan 8.150 nan 0.000 0.443 300 V N 0.393 120.365 119.914 0.095 0.000 2.343 300 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 300 V C 2.557 178.711 176.094 0.100 0.000 1.051 300 V CA 2.171 64.530 62.300 0.098 0.000 1.036 300 V CB -0.695 31.169 31.823 0.068 0.000 0.654 300 V HN 0.535 nan 8.190 nan 0.000 0.451 301 E N -0.631 119.657 120.200 0.146 0.000 2.110 301 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 301 E C 1.973 178.748 176.600 0.290 0.000 0.988 301 E CA 1.262 57.805 56.400 0.239 0.000 0.804 301 E CB -0.401 29.488 29.700 0.316 0.000 0.745 301 E HN 0.652 nan 8.360 nan 0.000 0.458 302 F N 1.240 121.160 119.950 -0.051 0.000 2.146 302 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 302 F C 2.242 177.886 175.800 -0.261 0.000 1.096 302 F CA 0.883 58.646 58.000 -0.395 0.000 1.275 302 F CB -0.040 38.513 39.000 -0.746 0.000 1.008 302 F HN -0.207 nan 8.300 nan 0.000 0.480 303 V N 0.676 120.592 119.914 0.003 0.000 2.343 303 V HA -0.323 3.796 4.120 -0.000 0.000 0.247 303 V C 2.340 178.326 176.094 -0.179 0.000 1.051 303 V CA 2.107 64.359 62.300 -0.081 0.000 1.036 303 V CB -0.694 31.184 31.823 0.092 0.000 0.654 303 V HN 0.276 nan 8.190 nan 0.000 0.451 304 K N -0.402 119.942 120.400 -0.093 0.000 2.063 304 K HA -0.208 4.111 4.320 -0.000 0.000 0.208 304 K C 2.130 178.642 176.600 -0.147 0.000 1.048 304 K CA 1.605 57.839 56.287 -0.089 0.000 0.928 304 K CB -0.431 32.059 32.500 -0.016 0.000 0.713 304 K HN 0.325 nan 8.250 nan 0.000 0.442 305 L N 1.105 122.215 121.223 -0.188 0.000 2.012 305 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 305 L C 2.028 178.643 176.870 -0.424 0.000 1.073 305 L CA 1.546 56.243 54.840 -0.239 0.000 0.748 305 L CB -0.451 41.472 42.059 -0.226 0.000 0.891 305 L HN -0.109 nan 8.230 nan 0.000 0.431 306 V N 0.798 120.253 119.914 -0.765 0.000 2.332 306 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 306 V C 2.383 178.170 176.094 -0.511 0.000 1.055 306 V CA 2.243 63.947 62.300 -0.993 0.000 1.038 306 V CB -0.752 30.353 31.823 -1.197 0.000 0.651 306 V HN 0.701 nan 8.190 nan 0.000 0.450 307 I N -0.843 119.510 120.570 -0.362 0.000 3.728 307 I HA 0.171 4.340 4.170 -0.000 0.000 0.307 307 I C 1.406 177.471 176.117 -0.087 0.000 1.276 307 I CA 0.124 61.311 61.300 -0.188 0.000 1.285 307 I CB -0.283 37.632 38.000 -0.143 0.000 1.038 307 I HN 0.341 nan 8.210 nan 0.000 0.445 308 S N 1.045 116.688 115.700 -0.095 0.000 2.587 308 S HA 0.074 4.543 4.470 -0.000 0.000 0.260 308 S C 0.955 175.549 174.600 -0.011 0.000 1.353 308 S CA -0.124 58.049 58.200 -0.045 0.000 0.995 308 S CB 1.075 64.249 63.200 -0.042 0.000 0.912 308 S HN 0.417 nan 8.310 nan 0.000 0.568 309 E N 0.371 120.570 120.200 -0.002 0.000 2.118 309 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 309 E C 2.044 178.657 176.600 0.022 0.000 0.992 309 E CA 1.387 57.793 56.400 0.011 0.000 0.804 309 E CB -0.149 29.555 29.700 0.006 0.000 0.741 309 E HN 0.875 nan 8.360 nan 0.000 0.458 310 E N -0.078 120.134 120.200 0.021 0.000 2.077 310 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 310 E C 2.099 178.747 176.600 0.080 0.000 0.989 310 E CA 1.227 57.650 56.400 0.038 0.000 0.800 310 E CB -0.153 29.568 29.700 0.034 0.000 0.746 310 E HN 0.271 nan 8.360 nan 0.000 0.452 311 G N 0.331 109.186 108.800 0.091 0.000 2.408 311 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 311 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 311 G C 1.439 176.457 174.900 0.197 0.000 1.150 311 G CA 0.637 45.871 45.100 0.223 0.000 0.776 311 G HN 0.282 nan 8.290 nan 0.000 0.542 312 Q N -0.237 119.625 119.800 0.103 0.000 2.124 312 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 312 Q C 2.489 178.525 176.000 0.060 0.000 0.977 312 Q CA 1.107 56.963 55.803 0.089 0.000 0.850 312 Q CB -0.057 28.715 28.738 0.057 0.000 0.901 312 Q HN 0.296 nan 8.270 nan 0.000 0.429 313 E N 0.659 120.886 120.200 0.045 0.000 2.107 313 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 313 E C 1.923 178.523 176.600 -0.000 0.000 0.982 313 E CA 0.659 57.070 56.400 0.019 0.000 0.809 313 E CB -0.096 29.612 29.700 0.013 0.000 0.756 313 E HN 0.387 nan 8.360 nan 0.000 0.459 314 I N 0.538 121.110 120.570 0.002 0.000 2.163 314 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 314 I C 2.326 178.378 176.117 -0.108 0.000 1.085 314 I CA 0.942 62.189 61.300 -0.088 0.000 1.347 314 I CB -0.177 37.713 38.000 -0.183 0.000 1.044 314 I HN 0.069 nan 8.210 nan 0.000 0.408 315 L N -0.133 121.070 121.223 -0.032 0.000 2.056 315 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 315 L C 2.752 179.596 176.870 -0.044 0.000 1.078 315 L CA 1.166 55.989 54.840 -0.029 0.000 0.749 315 L CB -0.529 41.577 42.059 0.077 0.000 0.901 315 L HN 0.173 nan 8.230 nan 0.000 0.433 316 R N 0.377 120.864 120.500 -0.021 0.000 2.081 316 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 316 R C 2.181 178.463 176.300 -0.030 0.000 1.131 316 R CA 1.831 57.917 56.100 -0.023 0.000 0.960 316 R CB -0.138 30.157 30.300 -0.007 0.000 0.856 316 R HN 0.375 nan 8.270 nan 0.000 0.436 317 E N 0.268 120.447 120.200 -0.034 0.000 2.209 317 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 317 E C 1.394 177.967 176.600 -0.045 0.000 0.993 317 E CA 0.910 57.288 56.400 -0.037 0.000 0.819 317 E CB 0.044 29.718 29.700 -0.042 0.000 0.745 317 E HN 0.365 nan 8.360 nan 0.000 0.477 318 L N -0.892 120.295 121.223 -0.061 0.000 2.628 318 L HA 0.277 4.617 4.340 -0.000 0.000 0.229 318 L C 1.137 177.975 176.870 -0.053 0.000 1.137 318 L CA 0.364 55.166 54.840 -0.063 0.000 0.909 318 L CB 0.655 42.658 42.059 -0.092 0.000 1.137 318 L HN 0.390 nan 8.230 nan 0.000 0.470 319 G N -0.379 108.392 108.800 -0.050 0.000 2.163 319 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.213 319 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.213 319 G C 0.095 174.950 174.900 -0.076 0.000 0.991 319 G CA -0.518 44.553 45.100 -0.049 0.000 0.653 319 G HN 0.386 nan 8.290 nan 0.000 0.518 320 Q N 0.851 120.592 119.800 -0.098 0.000 2.348 320 Q HA 0.408 4.748 4.340 -0.000 0.000 0.265 320 Q C -0.452 175.492 176.000 -0.095 0.000 0.998 320 Q CA -0.711 55.006 55.803 -0.143 0.000 0.831 320 Q CB 1.456 30.042 28.738 -0.253 0.000 1.251 320 Q HN 0.319 nan 8.270 nan 0.000 0.456 321 E N 3.678 123.835 120.200 -0.072 0.000 2.373 321 E HA 0.224 4.574 4.350 -0.000 0.000 0.263 321 E C -2.177 174.401 176.600 -0.035 0.000 1.073 321 E CA -1.794 54.584 56.400 -0.036 0.000 0.894 321 E CB 0.356 30.046 29.700 -0.016 0.000 1.008 321 E HN 0.364 nan 8.360 nan 0.000 0.420 322 P HA 0.155 nan 4.420 nan 0.000 0.276 322 P C 0.365 177.671 177.300 0.010 0.000 1.244 322 P CA -0.326 62.781 63.100 0.013 0.000 0.801 322 P CB 0.813 32.530 31.700 0.029 0.000 1.006 323 L N 0.000 121.234 121.223 0.018 0.000 2.949 323 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 323 L CA 0.000 54.850 54.840 0.018 0.000 0.813 323 L CB 0.000 42.070 42.059 0.019 0.000 0.961 323 L HN 0.000 nan 8.230 nan 0.000 0.502