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 1bxn_1_E DATA FIRST_RESID 22 DATA SEQUENCE YKXMGYWDGD YVPKDTDLLA LFRITPQDGV DPVEAAAAVA GESSTATWTV DATA SEQUENCE VWTDRLTACD MYRAKAYRVD PVPNNPEQFF CYVAYDLSLF EEGSIANLTA DATA SEQUENCE SIIGNVFSFK PIKAARLEDM RFPVAYVKTF AGPSTGIIVE RERLDKFGRP DATA SEQUENCE LLGATTKPKL GLSGRNYGRV VYEGLKGGLD FMKDDENINS QPFMHWRDRF DATA SEQUENCE LFVMDAVNKA SAATGEVKGS YLNVTAGTME EMYRRAEFAK SLGSVIIMVD DATA SEQUENCE LIVGWTCIQS MSNWCRQNDM ILHLHRAGHG TYTRQKNHGV SFRVIAKWLR DATA SEQUENCE LAGVDHMHTG TAVGKLEGDP LTVQGYYNVC RDAYTQTDLT RGLFFDQDWA DATA SEQUENCE SLRKVMPVAS GGIHAGQMHQ LIHLFGDDVV LQFGGGTIGH PQGIQAGATA DATA SEQUENCE NRVALEAMVL ARNEGRDILN EGPEILRDAA RWCGPLRAAL DTWGDI 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.995 175.900 0.159 0.000 1.272 22 Y CA 0.000 58.166 58.100 0.110 0.000 1.940 22 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 26 G N 0.204 108.988 108.800 -0.027 0.000 4.956 26 G HA2 0.430 4.390 3.960 -0.000 0.000 0.263 26 G HA3 0.430 4.390 3.960 -0.000 0.000 0.263 26 G C -0.500 174.143 174.900 -0.428 0.000 0.958 26 G CA 0.066 45.034 45.100 -0.220 0.000 0.749 26 G HN 0.333 nan 8.290 nan 0.000 0.356 27 Y N -1.190 119.163 120.300 0.088 0.000 2.531 27 Y HA 0.460 5.010 4.550 -0.000 0.000 0.249 27 Y C -0.038 175.956 175.900 0.157 0.000 1.168 27 Y CA -1.205 56.943 58.100 0.080 0.000 1.226 27 Y CB 0.604 39.124 38.460 0.100 0.000 1.177 27 Y HN 0.250 nan 8.280 nan 0.000 0.527 28 W N 1.111 122.439 121.300 0.045 0.000 2.957 28 W HA 0.498 5.158 4.660 -0.000 0.000 0.336 28 W C -1.720 174.808 176.519 0.016 0.000 1.087 28 W CA -1.140 56.230 57.345 0.043 0.000 1.235 28 W CB 1.267 30.763 29.460 0.059 0.000 1.399 28 W HN -0.240 nan 8.180 nan 0.000 0.480 29 D N 3.406 123.355 120.400 -0.753 0.000 2.336 29 D HA 0.212 4.852 4.640 -0.000 0.000 0.248 29 D C 1.095 176.833 176.300 -0.937 0.000 1.326 29 D CA 0.140 53.766 54.000 -0.623 0.000 0.973 29 D CB 1.446 42.071 40.800 -0.292 0.000 1.255 29 D HN 0.642 nan 8.370 nan 0.000 0.558 30 G N 2.380 110.376 108.800 -1.341 0.000 2.469 30 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 30 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 30 G C 0.806 175.525 174.900 -0.302 0.000 1.150 30 G CA 0.619 45.158 45.100 -0.934 0.000 0.763 30 G HN 0.517 nan 8.290 nan 0.000 0.561 31 D N -0.875 119.408 120.400 -0.196 0.000 2.738 31 D HA 0.135 4.775 4.640 -0.000 0.000 0.246 31 D C -0.753 175.503 176.300 -0.073 0.000 1.270 31 D CA -0.500 53.446 54.000 -0.090 0.000 0.833 31 D CB 0.215 40.977 40.800 -0.064 0.000 1.040 31 D HN 0.331 nan 8.370 nan 0.000 0.487 32 Y N 1.444 121.622 120.300 -0.204 0.000 2.359 32 Y HA 0.190 4.740 4.550 -0.000 0.000 0.334 32 Y C -0.346 175.394 175.900 -0.267 0.000 1.058 32 Y CA -0.425 57.540 58.100 -0.225 0.000 1.244 32 Y CB 0.703 39.011 38.460 -0.253 0.000 1.187 32 Y HN -0.263 nan 8.280 nan 0.000 0.510 33 V N 9.659 129.087 119.914 -0.809 0.000 2.364 33 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 33 V C -2.060 173.429 176.094 -1.009 0.000 1.036 33 V CA -1.957 59.934 62.300 -0.683 0.000 0.880 33 V CB 0.738 32.318 31.823 -0.406 0.000 0.991 33 V HN 0.757 nan 8.190 nan 0.000 0.460 34 P HA 0.182 nan 4.420 nan 0.000 0.268 34 P C -0.366 176.740 177.300 -0.324 0.000 1.204 34 P CA -0.100 62.689 63.100 -0.517 0.000 0.768 34 P CB 0.495 31.974 31.700 -0.368 0.000 0.842 35 K N 1.949 122.222 120.400 -0.212 0.000 2.126 35 K HA 0.153 4.473 4.320 -0.000 0.000 0.257 35 K C 0.800 177.360 176.600 -0.065 0.000 1.007 35 K CA -0.496 55.716 56.287 -0.124 0.000 0.928 35 K CB 0.620 33.080 32.500 -0.067 0.000 1.013 35 K HN 0.408 nan 8.250 nan 0.000 0.473 36 D N 0.953 121.327 120.400 -0.043 0.000 2.351 36 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 36 D C 0.451 176.758 176.300 0.012 0.000 0.968 36 D CA 1.287 55.278 54.000 -0.015 0.000 0.899 36 D CB 0.076 40.875 40.800 -0.002 0.000 0.907 36 D HN 0.603 nan 8.370 nan 0.000 0.514 37 T N -1.332 113.235 114.554 0.021 0.000 3.255 37 T HA 0.326 4.676 4.350 -0.000 0.000 0.243 37 T C -0.421 174.323 174.700 0.074 0.000 1.057 37 T CA -0.785 61.349 62.100 0.058 0.000 1.121 37 T CB 0.612 69.516 68.868 0.060 0.000 1.104 37 T HN -0.282 nan 8.240 nan 0.000 0.571 38 D N 0.681 121.116 120.400 0.058 0.000 2.601 38 D HA 0.451 5.091 4.640 -0.000 0.000 0.230 38 D C -0.873 175.466 176.300 0.065 0.000 1.106 38 D CA -0.744 53.311 54.000 0.091 0.000 0.873 38 D CB 1.984 42.828 40.800 0.073 0.000 1.515 38 D HN 0.126 nan 8.370 nan 0.000 0.468 39 L N 1.807 123.126 121.223 0.159 0.000 2.289 39 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 39 L C -0.542 176.409 176.870 0.135 0.000 1.049 39 L CA -0.372 54.513 54.840 0.075 0.000 0.804 39 L CB 0.819 42.953 42.059 0.124 0.000 1.195 39 L HN 0.308 nan 8.230 nan 0.000 0.428 40 L N 3.658 124.798 121.223 -0.139 0.000 2.356 40 L HA 0.647 4.987 4.340 -0.000 0.000 0.277 40 L C -0.136 176.618 176.870 -0.194 0.000 0.996 40 L CA -0.551 54.197 54.840 -0.153 0.000 0.822 40 L CB 1.880 43.610 42.059 -0.548 0.000 1.256 40 L HN 0.641 nan 8.230 nan 0.000 0.413 41 A N 4.758 127.683 122.820 0.175 0.000 2.318 41 A HA 0.651 4.971 4.320 -0.000 0.000 0.317 41 A C -0.987 176.633 177.584 0.060 0.000 1.159 41 A CA -0.447 51.640 52.037 0.083 0.000 0.799 41 A CB 1.553 20.716 19.000 0.272 0.000 1.194 41 A HN 0.650 nan 8.150 nan 0.000 0.479 42 L N 4.073 125.209 121.223 -0.145 0.000 2.295 42 L HA 0.599 4.939 4.340 -0.000 0.000 0.281 42 L C -1.640 174.958 176.870 -0.454 0.000 1.018 42 L CA -0.207 54.396 54.840 -0.394 0.000 0.841 42 L CB 0.121 41.713 42.059 -0.778 0.000 1.218 42 L HN 0.710 nan 8.230 nan 0.000 0.424 43 F N 3.939 123.796 119.950 -0.155 0.000 2.408 43 F HA 0.485 5.012 4.527 -0.000 0.000 0.325 43 F C 0.924 176.704 175.800 -0.032 0.000 1.082 43 F CA -0.612 57.335 58.000 -0.089 0.000 1.032 43 F CB 0.872 39.816 39.000 -0.092 0.000 1.259 43 F HN 0.391 nan 8.300 nan 0.000 0.503 44 R N 2.522 123.120 120.500 0.164 0.000 2.587 44 R HA 0.330 4.670 4.340 -0.000 0.000 0.283 44 R C -1.361 174.930 176.300 -0.015 0.000 1.472 44 R CA -0.451 55.653 56.100 0.005 0.000 1.578 44 R CB -0.179 30.094 30.300 -0.046 0.000 1.130 44 R HN 0.454 nan 8.270 nan 0.000 0.602 45 I N 2.949 123.533 120.570 0.024 0.000 2.533 45 I HA 0.081 4.251 4.170 -0.000 0.000 0.284 45 I C 0.222 176.347 176.117 0.013 0.000 1.109 45 I CA 0.315 61.622 61.300 0.011 0.000 1.412 45 I CB 1.429 39.451 38.000 0.037 0.000 1.396 45 I HN 0.409 nan 8.210 nan 0.000 0.543 46 T N 8.056 122.605 114.554 -0.009 0.000 3.155 46 T HA 0.282 4.632 4.350 -0.000 0.000 0.384 46 T C -2.290 172.422 174.700 0.021 0.000 1.351 46 T CA -1.216 60.869 62.100 -0.025 0.000 1.198 46 T CB 1.040 69.881 68.868 -0.044 0.000 1.106 46 T HN 0.419 nan 8.240 nan 0.000 0.564 47 P HA 0.120 nan 4.420 nan 0.000 0.272 47 P C -0.306 177.009 177.300 0.025 0.000 1.240 47 P CA -0.539 62.590 63.100 0.050 0.000 0.791 47 P CB 0.816 32.569 31.700 0.088 0.000 0.978 48 Q N 0.757 120.551 119.800 -0.010 0.000 2.394 48 Q HA 0.097 4.437 4.340 -0.000 0.000 0.248 48 Q C -0.435 175.563 176.000 -0.002 0.000 0.992 48 Q CA 0.330 56.121 55.803 -0.019 0.000 0.888 48 Q CB -0.207 28.501 28.738 -0.049 0.000 1.257 48 Q HN 0.419 nan 8.270 nan 0.000 0.462 49 D N 0.641 121.039 120.400 -0.003 0.000 2.376 49 D HA 0.266 4.906 4.640 -0.000 0.000 0.278 49 D C 0.750 177.050 176.300 -0.001 0.000 1.384 49 D CA 1.130 55.133 54.000 0.005 0.000 1.033 49 D CB -0.126 40.674 40.800 -0.001 0.000 1.102 49 D HN 0.772 nan 8.370 nan 0.000 0.530 50 G N 1.177 109.979 108.800 0.004 0.000 2.198 50 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.156 50 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.156 50 G C -0.045 174.847 174.900 -0.013 0.000 1.012 50 G CA -0.563 44.533 45.100 -0.005 0.000 0.692 50 G HN 0.444 nan 8.290 nan 0.000 0.492 51 V N 1.155 121.062 119.914 -0.012 0.000 2.459 51 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 51 V C -0.248 175.821 176.094 -0.042 0.000 1.029 51 V CA -0.922 61.363 62.300 -0.026 0.000 0.874 51 V CB 1.762 33.566 31.823 -0.031 0.000 0.985 51 V HN 0.243 nan 8.190 nan 0.000 0.438 52 D N 7.091 127.449 120.400 -0.071 0.000 2.383 52 D HA 0.169 4.809 4.640 -0.000 0.000 0.252 52 D C -1.245 174.949 176.300 -0.176 0.000 1.166 52 D CA -0.947 52.974 54.000 -0.133 0.000 0.879 52 D CB 1.176 41.894 40.800 -0.138 0.000 1.164 52 D HN 0.323 nan 8.370 nan 0.000 0.462 53 P HA -0.180 nan 4.420 nan 0.000 0.216 53 P C 1.336 178.458 177.300 -0.297 0.000 1.150 53 P CA 0.712 63.607 63.100 -0.341 0.000 0.837 53 P CB 0.301 31.482 31.700 -0.866 0.000 0.786 54 V N 1.300 120.983 119.914 -0.385 0.000 2.261 54 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 54 V C 2.836 178.695 176.094 -0.391 0.000 1.047 54 V CA 2.243 64.223 62.300 -0.534 0.000 1.015 54 V CB -1.409 29.959 31.823 -0.758 0.000 0.642 54 V HN 0.194 nan 8.190 nan 0.000 0.446 55 E N 0.136 120.183 120.200 -0.256 0.000 2.118 55 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 55 E C 2.201 178.758 176.600 -0.073 0.000 0.992 55 E CA 1.357 57.688 56.400 -0.115 0.000 0.804 55 E CB -0.192 29.477 29.700 -0.051 0.000 0.741 55 E HN 0.572 nan 8.360 nan 0.000 0.458 56 A N 1.346 124.111 122.820 -0.091 0.000 1.877 56 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 56 A C 2.447 179.977 177.584 -0.090 0.000 1.186 56 A CA 1.946 53.946 52.037 -0.061 0.000 0.620 56 A CB -0.926 18.046 19.000 -0.046 0.000 0.822 56 A HN 0.423 nan 8.150 nan 0.000 0.443 57 A N -0.111 122.660 122.820 -0.082 0.000 1.883 57 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 57 A C 2.531 180.121 177.584 0.011 0.000 1.186 57 A CA 2.449 54.473 52.037 -0.022 0.000 0.624 57 A CB -1.137 17.900 19.000 0.061 0.000 0.822 57 A HN 1.166 nan 8.150 nan 0.000 0.444 58 A N -0.355 122.492 122.820 0.045 0.000 1.933 58 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 58 A C 2.467 180.039 177.584 -0.020 0.000 1.175 58 A CA 2.074 54.196 52.037 0.142 0.000 0.628 58 A CB -0.926 18.198 19.000 0.206 0.000 0.814 58 A HN 1.107 nan 8.150 nan 0.000 0.444 59 A N -0.579 122.146 122.820 -0.158 0.000 1.969 59 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 59 A C 2.195 179.443 177.584 -0.561 0.000 1.169 59 A CA 1.605 53.337 52.037 -0.508 0.000 0.635 59 A CB -0.782 17.951 19.000 -0.446 0.000 0.810 59 A HN 0.355 nan 8.150 nan 0.000 0.445 60 V N -0.042 119.653 119.914 -0.365 0.000 2.261 60 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 60 V C 3.064 178.994 176.094 -0.274 0.000 1.047 60 V CA 1.991 64.053 62.300 -0.397 0.000 1.015 60 V CB -1.301 30.248 31.823 -0.456 0.000 0.642 60 V HN 0.599 nan 8.190 nan 0.000 0.446 61 A N 0.366 123.088 122.820 -0.164 0.000 1.978 61 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 61 A C 2.337 179.793 177.584 -0.214 0.000 1.170 61 A CA 2.042 54.038 52.037 -0.069 0.000 0.636 61 A CB -1.027 18.020 19.000 0.078 0.000 0.810 61 A HN 0.566 nan 8.150 nan 0.000 0.448 62 G N -1.250 107.260 108.800 -0.482 0.000 2.453 62 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.215 62 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.215 62 G C 0.980 175.706 174.900 -0.290 0.000 1.147 62 G CA 0.345 45.067 45.100 -0.631 0.000 0.802 62 G HN 0.393 nan 8.290 nan 0.000 0.535 63 E N 0.983 120.966 120.200 -0.363 0.000 2.296 63 E HA 0.126 4.476 4.350 -0.000 0.000 0.196 63 E C 0.565 177.087 176.600 -0.130 0.000 1.143 63 E CA 0.161 56.379 56.400 -0.303 0.000 1.145 63 E CB -0.080 29.277 29.700 -0.573 0.000 1.215 63 E HN 0.494 nan 8.360 nan 0.000 0.447 64 S N -1.900 113.773 115.700 -0.044 0.000 2.885 64 S HA 0.191 4.661 4.470 -0.000 0.000 0.238 64 S C 0.182 174.843 174.600 0.102 0.000 0.766 64 S CA -0.103 58.132 58.200 0.060 0.000 1.089 64 S CB -0.476 62.809 63.200 0.141 0.000 1.396 64 S HN 0.111 nan 8.310 nan 0.000 0.509 65 S N 0.391 116.126 115.700 0.057 0.000 2.979 65 S HA 0.384 4.854 4.470 -0.000 0.000 0.302 65 S C 0.267 174.904 174.600 0.063 0.000 1.250 65 S CA 0.057 58.305 58.200 0.079 0.000 1.148 65 S CB -0.267 63.025 63.200 0.153 0.000 1.409 65 S HN 0.654 nan 8.310 nan 0.000 0.517 66 T N -0.088 114.528 114.554 0.103 0.000 3.658 66 T HA 0.593 4.942 4.350 -0.000 0.000 0.250 66 T C 0.463 175.240 174.700 0.128 0.000 1.060 66 T CA 0.281 62.440 62.100 0.098 0.000 0.962 66 T CB -1.310 67.626 68.868 0.114 0.000 1.075 66 T HN 1.102 nan 8.240 nan 0.000 0.610 67 A N 0.422 123.289 122.820 0.078 0.000 2.344 67 A HA 0.942 5.262 4.320 -0.000 0.000 0.307 67 A C 0.153 177.758 177.584 0.035 0.000 1.151 67 A CA -0.741 51.320 52.037 0.040 0.000 0.842 67 A CB 1.891 20.764 19.000 -0.211 0.000 1.350 67 A HN 0.451 nan 8.150 nan 0.000 0.459 68 T N -1.828 112.722 114.554 -0.007 0.000 2.718 68 T HA 0.416 4.765 4.350 -0.000 0.000 0.306 68 T C -0.019 174.573 174.700 -0.179 0.000 1.485 68 T CA 0.168 62.311 62.100 0.071 0.000 0.997 68 T CB 0.415 69.351 68.868 0.114 0.000 1.504 68 T HN 1.260 nan 8.240 nan 0.000 0.497 69 W N 1.168 122.308 121.300 -0.267 0.000 2.436 69 W HA 0.257 4.917 4.660 -0.000 0.000 0.284 69 W C 0.607 176.945 176.519 -0.302 0.000 1.225 69 W CA 1.115 58.233 57.345 -0.378 0.000 1.271 69 W CB -1.690 27.788 29.460 0.029 0.000 1.114 69 W HN 0.658 nan 8.180 nan 0.000 0.559 70 T N 0.360 114.464 114.554 -0.750 0.000 2.927 70 T HA 0.485 4.835 4.350 -0.000 0.000 0.286 70 T C -0.562 173.925 174.700 -0.356 0.000 1.040 70 T CA -0.549 61.142 62.100 -0.681 0.000 1.010 70 T CB 2.192 70.438 68.868 -1.037 0.000 1.177 70 T HN -0.172 nan 8.240 nan 0.000 0.546 71 V N 3.096 122.861 119.914 -0.249 0.000 2.546 71 V HA 0.685 4.805 4.120 -0.000 0.000 0.284 71 V C -0.457 175.591 176.094 -0.077 0.000 1.050 71 V CA -0.184 62.042 62.300 -0.124 0.000 0.981 71 V CB 1.014 32.791 31.823 -0.077 0.000 0.990 71 V HN 0.723 nan 8.190 nan 0.000 0.474 72 V N 6.092 125.983 119.914 -0.038 0.000 2.604 72 V HA 0.501 4.621 4.120 -0.000 0.000 0.305 72 V C 0.709 176.813 176.094 0.017 0.000 1.043 72 V CA -0.612 61.674 62.300 -0.023 0.000 0.888 72 V CB 1.480 33.250 31.823 -0.087 0.000 0.995 72 V HN 1.073 nan 8.190 nan 0.000 0.429 73 W N 2.875 124.158 121.300 -0.028 0.000 2.518 73 W HA -0.063 4.597 4.660 -0.000 0.000 0.273 73 W C 1.516 178.029 176.519 -0.011 0.000 1.247 73 W CA 1.429 58.762 57.345 -0.020 0.000 1.288 73 W CB -1.501 27.947 29.460 -0.021 0.000 1.107 73 W HN 0.758 nan 8.180 nan 0.000 0.586 74 T N -0.598 113.424 114.554 -0.887 0.000 2.881 74 T HA -0.244 4.106 4.350 -0.000 0.000 0.270 74 T C 0.872 175.375 174.700 -0.328 0.000 1.068 74 T CA 1.884 63.472 62.100 -0.853 0.000 1.131 74 T CB -0.801 67.566 68.868 -0.836 0.000 0.871 74 T HN -0.001 nan 8.240 nan 0.000 0.479 75 D N 0.603 120.886 120.400 -0.195 0.000 2.363 75 D HA 0.100 4.740 4.640 -0.000 0.000 0.226 75 D C 2.098 178.382 176.300 -0.028 0.000 1.020 75 D CA 0.121 54.070 54.000 -0.085 0.000 0.892 75 D CB -0.097 40.675 40.800 -0.047 0.000 0.900 75 D HN 0.260 nan 8.370 nan 0.000 0.531 76 R N 0.528 121.028 120.500 0.000 0.000 2.081 76 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 76 R C 1.620 177.942 176.300 0.036 0.000 1.131 76 R CA 1.286 57.415 56.100 0.049 0.000 0.960 76 R CB -0.576 29.798 30.300 0.124 0.000 0.856 76 R HN 0.197 nan 8.270 nan 0.000 0.436 77 L N -0.405 120.832 121.223 0.023 0.000 2.027 77 L HA -0.135 4.204 4.340 -0.000 0.000 0.206 77 L C 2.295 179.173 176.870 0.013 0.000 1.074 77 L CA 1.951 56.803 54.840 0.019 0.000 0.745 77 L CB -0.905 41.154 42.059 0.001 0.000 0.898 77 L HN 0.260 nan 8.230 nan 0.000 0.433 78 T N -0.446 114.106 114.554 -0.004 0.000 2.653 78 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 78 T C 1.650 176.385 174.700 0.058 0.000 1.035 78 T CA 2.048 64.159 62.100 0.019 0.000 1.154 78 T CB -0.387 68.481 68.868 -0.001 0.000 0.862 78 T HN 0.580 nan 8.240 nan 0.000 0.441 79 A N -0.455 122.386 122.820 0.035 0.000 3.870 79 A HA -0.351 3.969 4.320 -0.000 0.000 0.246 79 A C 2.233 179.830 177.584 0.022 0.000 0.669 79 A CA 2.252 54.303 52.037 0.024 0.000 1.221 79 A CB -2.582 16.431 19.000 0.022 0.000 1.199 79 A HN 1.468 nan 8.150 nan 0.000 0.685 80 C N -3.486 115.867 119.300 0.088 0.000 5.885 80 C HA -0.344 4.116 4.460 -0.000 0.000 0.328 80 C C 1.854 176.827 174.990 -0.029 0.000 2.433 80 C CA 2.412 61.500 59.018 0.116 0.000 2.197 80 C CB -1.875 25.913 27.740 0.079 0.000 3.236 80 C HN 2.594 nan 8.230 nan 0.000 0.260 81 D N -0.899 119.452 120.400 -0.082 0.000 4.581 81 D HA -0.325 4.315 4.640 -0.000 0.000 0.261 81 D C 1.302 177.490 176.300 -0.187 0.000 0.490 81 D CA 3.273 57.185 54.000 -0.147 0.000 1.265 81 D CB -1.204 39.513 40.800 -0.138 0.000 0.776 81 D HN 0.638 nan 8.370 nan 0.000 0.351 82 M N -0.954 118.476 119.600 -0.284 0.000 2.213 82 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 82 M C 1.368 177.491 176.300 -0.295 0.000 1.062 82 M CA 1.351 56.445 55.300 -0.344 0.000 1.105 82 M CB -0.900 31.390 32.600 -0.516 0.000 1.385 82 M HN 0.359 nan 8.290 nan 0.000 0.417 83 Y N 0.665 120.938 120.300 -0.044 0.000 2.871 83 Y HA 0.204 4.754 4.550 -0.000 0.000 0.378 83 Y C 0.289 176.181 175.900 -0.014 0.000 1.069 83 Y CA -0.469 57.607 58.100 -0.040 0.000 1.662 83 Y CB -0.369 38.067 38.460 -0.040 0.000 1.561 83 Y HN 0.103 nan 8.280 nan 0.000 0.483 84 R N 0.417 120.959 120.500 0.070 0.000 2.725 84 R HA 0.678 5.018 4.340 -0.000 0.000 0.277 84 R C -0.890 175.439 176.300 0.048 0.000 0.987 84 R CA -1.062 55.096 56.100 0.098 0.000 0.901 84 R CB 1.661 31.940 30.300 -0.034 0.000 1.207 84 R HN 0.157 nan 8.270 nan 0.000 0.463 85 A N 2.750 125.645 122.820 0.124 0.000 2.302 85 A HA 0.257 4.577 4.320 -0.000 0.000 0.295 85 A C -0.387 177.154 177.584 -0.072 0.000 1.235 85 A CA -0.244 51.742 52.037 -0.084 0.000 0.876 85 A CB 0.174 19.092 19.000 -0.136 0.000 1.133 85 A HN 0.559 nan 8.150 nan 0.000 0.533 86 K N 2.281 122.539 120.400 -0.235 0.000 2.253 86 K HA 0.474 4.794 4.320 -0.000 0.000 0.277 86 K C -0.016 176.520 176.600 -0.107 0.000 1.053 86 K CA -0.138 55.991 56.287 -0.263 0.000 0.892 86 K CB 1.614 33.708 32.500 -0.676 0.000 1.102 86 K HN 0.754 nan 8.250 nan 0.000 0.469 87 A N 3.521 126.371 122.820 0.051 0.000 2.366 87 A HA 0.326 4.646 4.320 -0.000 0.000 0.272 87 A C -0.197 177.452 177.584 0.110 0.000 1.135 87 A CA -0.246 51.909 52.037 0.197 0.000 0.804 87 A CB -0.039 19.174 19.000 0.354 0.000 1.064 87 A HN 0.834 nan 8.150 nan 0.000 0.499 88 Y N 2.256 122.562 120.300 0.011 0.000 3.026 88 Y HA 0.484 5.034 4.550 -0.000 0.000 0.160 88 Y C 0.663 176.634 175.900 0.119 0.000 0.896 88 Y CA -0.898 57.125 58.100 -0.128 0.000 1.769 88 Y CB -0.582 37.873 38.460 -0.009 0.000 1.264 88 Y HN 0.442 nan 8.280 nan 0.000 0.400 89 R N 1.374 121.658 120.500 -0.360 0.000 2.640 89 R HA 0.357 4.697 4.340 -0.000 0.000 0.270 89 R C -1.275 175.126 176.300 0.169 0.000 1.024 89 R CA 0.252 56.255 56.100 -0.161 0.000 1.085 89 R CB 0.729 30.617 30.300 -0.687 0.000 0.963 89 R HN 0.404 nan 8.270 nan 0.000 0.426 90 V N 3.990 124.049 119.914 0.243 0.000 2.614 90 V HA 0.130 4.250 4.120 -0.000 0.000 0.281 90 V C -0.995 175.235 176.094 0.225 0.000 1.031 90 V CA -0.848 61.606 62.300 0.258 0.000 0.899 90 V CB 1.823 33.748 31.823 0.170 0.000 1.037 90 V HN 0.678 nan 8.190 nan 0.000 0.456 91 D N 5.368 125.964 120.400 0.327 0.000 2.340 91 D HA 0.563 5.203 4.640 -0.000 0.000 0.240 91 D C -2.594 173.943 176.300 0.395 0.000 1.001 91 D CA -1.450 52.742 54.000 0.321 0.000 0.888 91 D CB 2.607 43.621 40.800 0.356 0.000 1.310 91 D HN 0.264 nan 8.370 nan 0.000 0.474 92 P HA 0.121 nan 4.420 nan 0.000 0.275 92 P C -0.393 177.040 177.300 0.221 0.000 1.228 92 P CA -0.410 62.913 63.100 0.371 0.000 0.786 92 P CB 0.961 32.821 31.700 0.265 0.000 0.927 93 V N 4.923 124.839 119.914 0.004 0.000 2.432 93 V HA 0.187 4.307 4.120 -0.000 0.000 0.275 93 V C -1.934 174.149 176.094 -0.019 0.000 1.043 93 V CA -1.717 60.515 62.300 -0.113 0.000 0.925 93 V CB 0.569 32.127 31.823 -0.442 0.000 0.985 93 V HN 0.545 nan 8.190 nan 0.000 0.466 94 P HA 0.129 nan 4.420 nan 0.000 0.263 94 P C 0.351 177.664 177.300 0.022 0.000 1.195 94 P CA 0.392 63.534 63.100 0.070 0.000 0.762 94 P CB 0.127 31.896 31.700 0.116 0.000 0.799 95 N N 0.760 119.467 118.700 0.011 0.000 2.753 95 N HA -0.218 4.522 4.740 -0.000 0.000 0.251 95 N C -0.293 175.196 175.510 -0.035 0.000 1.097 95 N CA 1.129 54.176 53.050 -0.005 0.000 0.786 95 N CB -1.751 36.739 38.487 0.006 0.000 1.137 95 N HN 0.490 nan 8.380 nan 0.000 0.566 96 N N -0.589 118.070 118.700 -0.069 0.000 2.969 96 N HA 0.196 4.936 4.740 -0.000 0.000 0.230 96 N C -2.824 172.563 175.510 -0.204 0.000 1.397 96 N CA -0.928 52.050 53.050 -0.120 0.000 0.762 96 N CB 1.495 39.903 38.487 -0.132 0.000 1.495 96 N HN -0.092 nan 8.380 nan 0.000 0.583 97 P HA 0.227 nan 4.420 nan 0.000 0.282 97 P C -0.248 176.830 177.300 -0.370 0.000 1.286 97 P CA 0.344 63.308 63.100 -0.225 0.000 0.777 97 P CB 0.653 32.314 31.700 -0.065 0.000 1.184 98 E N -3.752 116.185 120.200 -0.439 0.000 3.799 98 E HA -0.242 4.108 4.350 -0.000 0.000 0.320 98 E C 0.124 176.336 176.600 -0.647 0.000 0.760 98 E CA 1.279 57.467 56.400 -0.354 0.000 1.153 98 E CB -1.828 27.789 29.700 -0.139 0.000 1.589 98 E HN 0.690 nan 8.360 nan 0.000 0.448 99 Q N -0.788 118.358 119.800 -1.089 0.000 2.337 99 Q HA 0.655 4.995 4.340 -0.000 0.000 0.270 99 Q C -1.333 173.926 176.000 -1.235 0.000 1.043 99 Q CA -0.488 54.813 55.803 -0.836 0.000 0.794 99 Q CB 1.218 29.660 28.738 -0.494 0.000 1.281 99 Q HN -0.021 nan 8.270 nan 0.000 0.446 100 F N 1.938 121.779 119.950 -0.182 0.000 2.591 100 F HA 0.452 4.979 4.527 -0.000 0.000 0.309 100 F C -0.911 174.809 175.800 -0.134 0.000 1.098 100 F CA -0.754 57.158 58.000 -0.146 0.000 0.937 100 F CB 1.415 40.392 39.000 -0.038 0.000 1.250 100 F HN 0.430 nan 8.300 nan 0.000 0.447 101 F N 2.258 122.328 119.950 0.200 0.000 2.438 101 F HA 0.374 4.901 4.527 -0.000 0.000 0.360 101 F C -0.062 175.814 175.800 0.126 0.000 1.118 101 F CA -0.421 57.614 58.000 0.059 0.000 1.164 101 F CB 0.486 39.517 39.000 0.051 0.000 1.131 101 F HN 0.326 nan 8.300 nan 0.000 0.527 102 C N 4.480 123.935 119.300 0.259 0.000 2.303 102 C HA 0.435 4.895 4.460 -0.000 0.000 0.326 102 C C -0.564 174.530 174.990 0.173 0.000 1.285 102 C CA -1.206 57.962 59.018 0.252 0.000 1.675 102 C CB -0.425 27.427 27.740 0.187 0.000 2.289 102 C HN 0.544 nan 8.230 nan 0.000 0.512 103 Y N 1.911 122.202 120.300 -0.014 0.000 2.328 103 Y HA 0.591 5.141 4.550 -0.000 0.000 0.337 103 Y C 0.292 176.105 175.900 -0.146 0.000 1.008 103 Y CA -0.540 57.475 58.100 -0.142 0.000 1.129 103 Y CB 0.868 38.989 38.460 -0.566 0.000 1.185 103 Y HN 0.432 nan 8.280 nan 0.000 0.476 104 V N 2.588 122.668 119.914 0.277 0.000 2.769 104 V HA 0.871 4.991 4.120 -0.000 0.000 0.312 104 V C -0.376 175.839 176.094 0.202 0.000 1.061 104 V CA -1.149 61.267 62.300 0.193 0.000 0.931 104 V CB 1.824 33.682 31.823 0.059 0.000 1.010 104 V HN 0.835 nan 8.190 nan 0.000 0.433 105 A N 3.456 126.294 122.820 0.030 0.000 2.318 105 A HA 0.866 5.186 4.320 -0.000 0.000 0.317 105 A C -1.507 175.929 177.584 -0.247 0.000 1.159 105 A CA -0.404 51.645 52.037 0.018 0.000 0.799 105 A CB 0.689 19.749 19.000 0.100 0.000 1.194 105 A HN 0.737 nan 8.150 nan 0.000 0.479 106 Y N 0.842 121.254 120.300 0.187 0.000 2.364 106 Y HA 0.410 4.960 4.550 -0.000 0.000 0.340 106 Y C 0.173 176.172 175.900 0.166 0.000 0.975 106 Y CA -0.786 57.426 58.100 0.186 0.000 1.089 106 Y CB 1.599 40.290 38.460 0.385 0.000 1.192 106 Y HN 0.759 nan 8.280 nan 0.000 0.454 107 D N 1.838 122.348 120.400 0.183 0.000 2.382 107 D HA 0.002 4.642 4.640 -0.000 0.000 0.245 107 D C 0.898 177.292 176.300 0.157 0.000 1.120 107 D CA -0.074 54.004 54.000 0.131 0.000 0.890 107 D CB 1.251 42.075 40.800 0.041 0.000 1.201 107 D HN 0.570 nan 8.370 nan 0.000 0.433 108 L N 3.419 124.760 121.223 0.196 0.000 2.051 108 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 108 L C 2.015 179.010 176.870 0.209 0.000 1.076 108 L CA 2.343 57.334 54.840 0.251 0.000 0.758 108 L CB -0.866 41.312 42.059 0.198 0.000 0.890 108 L HN 0.583 nan 8.230 nan 0.000 0.433 109 S N -1.836 113.952 115.700 0.147 0.000 2.595 109 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 109 S C 1.719 176.340 174.600 0.035 0.000 0.974 109 S CA 0.751 59.037 58.200 0.144 0.000 0.942 109 S CB -0.689 62.664 63.200 0.256 0.000 0.766 109 S HN 0.530 nan 8.310 nan 0.000 0.536 110 L N -0.557 120.570 121.223 -0.159 0.000 2.509 110 L HA 0.358 4.697 4.340 -0.000 0.000 0.222 110 L C -0.199 176.309 176.870 -0.603 0.000 1.123 110 L CA 0.196 54.774 54.840 -0.437 0.000 0.856 110 L CB -0.071 41.594 42.059 -0.656 0.000 0.985 110 L HN 0.272 nan 8.230 nan 0.000 0.456 111 F N -0.439 119.535 119.950 0.040 0.000 2.480 111 F HA 0.320 4.847 4.527 -0.000 0.000 0.329 111 F C 0.646 176.500 175.800 0.091 0.000 1.091 111 F CA -0.955 57.070 58.000 0.043 0.000 0.972 111 F CB 1.073 40.072 39.000 -0.000 0.000 1.150 111 F HN -0.188 nan 8.300 nan 0.000 0.467 112 E N 1.632 121.976 120.200 0.240 0.000 2.354 112 E HA 0.114 4.464 4.350 -0.000 0.000 0.269 112 E C -0.740 175.921 176.600 0.101 0.000 1.036 112 E CA -0.602 55.866 56.400 0.114 0.000 0.876 112 E CB 0.744 30.469 29.700 0.042 0.000 1.009 112 E HN 0.553 nan 8.360 nan 0.000 0.416 113 E N 1.294 121.487 120.200 -0.013 0.000 2.392 113 E HA 0.184 4.534 4.350 -0.000 0.000 0.264 113 E C 0.517 176.861 176.600 -0.427 0.000 1.024 113 E CA 1.070 57.353 56.400 -0.195 0.000 0.903 113 E CB 0.654 30.255 29.700 -0.165 0.000 0.963 113 E HN 0.737 nan 8.360 nan 0.000 0.432 114 G N 2.355 110.564 108.800 -0.985 0.000 2.422 114 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.301 114 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.301 114 G C 0.056 174.556 174.900 -0.665 0.000 0.981 114 G CA 0.916 45.180 45.100 -1.393 0.000 0.994 114 G HN 0.396 nan 8.290 nan 0.000 0.514 115 S N -0.960 114.530 115.700 -0.350 0.000 2.664 115 S HA 0.538 5.008 4.470 -0.000 0.000 0.262 115 S C 1.434 176.055 174.600 0.035 0.000 1.229 115 S CA -0.565 57.599 58.200 -0.060 0.000 1.151 115 S CB 0.487 63.658 63.200 -0.048 0.000 1.054 115 S HN 0.265 nan 8.310 nan 0.000 0.483 116 I N 3.593 124.180 120.570 0.027 0.000 2.394 116 I HA -0.105 4.065 4.170 -0.000 0.000 0.251 116 I C 2.651 178.493 176.117 -0.459 0.000 1.136 116 I CA 1.326 62.432 61.300 -0.322 0.000 1.425 116 I CB -0.254 37.480 38.000 -0.443 0.000 1.079 116 I HN 0.760 nan 8.210 nan 0.000 0.425 117 A N 0.726 123.427 122.820 -0.199 0.000 1.902 117 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 117 A C 2.190 179.689 177.584 -0.142 0.000 1.181 117 A CA 2.127 54.084 52.037 -0.133 0.000 0.623 117 A CB -0.861 18.142 19.000 0.005 0.000 0.818 117 A HN 0.541 nan 8.150 nan 0.000 0.443 118 N N -0.243 118.405 118.700 -0.086 0.000 2.216 118 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 118 N C 1.855 177.352 175.510 -0.022 0.000 1.017 118 N CA 1.015 54.052 53.050 -0.022 0.000 0.861 118 N CB -0.138 38.372 38.487 0.038 0.000 0.986 118 N HN 0.536 nan 8.380 nan 0.000 0.428 119 L N 1.250 122.398 121.223 -0.125 0.000 1.955 119 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 119 L C 2.656 179.317 176.870 -0.349 0.000 1.072 119 L CA 2.251 56.937 54.840 -0.257 0.000 0.755 119 L CB -1.086 40.693 42.059 -0.468 0.000 0.888 119 L HN 0.357 nan 8.230 nan 0.000 0.432 120 T N -1.990 112.184 114.554 -0.633 0.000 2.665 120 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 120 T C 1.840 176.425 174.700 -0.192 0.000 1.035 120 T CA 1.364 63.114 62.100 -0.584 0.000 1.151 120 T CB -0.867 67.525 68.868 -0.793 0.000 0.862 120 T HN 0.471 nan 8.240 nan 0.000 0.438 121 A N 1.913 124.651 122.820 -0.137 0.000 1.859 121 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 121 A C 2.783 180.377 177.584 0.017 0.000 1.198 121 A CA 2.528 54.547 52.037 -0.031 0.000 0.629 121 A CB -1.362 17.627 19.000 -0.019 0.000 0.830 121 A HN 0.575 nan 8.150 nan 0.000 0.446 122 S N -0.186 115.537 115.700 0.037 0.000 2.359 122 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 122 S C 1.856 176.489 174.600 0.055 0.000 1.035 122 S CA 1.536 59.780 58.200 0.074 0.000 1.018 122 S CB -0.435 62.865 63.200 0.168 0.000 0.876 122 S HN 0.455 nan 8.310 nan 0.000 0.448 123 I N 1.687 122.262 120.570 0.007 0.000 2.113 123 I HA -0.118 4.052 4.170 -0.000 0.000 0.238 123 I C 2.276 178.535 176.117 0.237 0.000 1.070 123 I CA 1.346 62.629 61.300 -0.029 0.000 1.332 123 I CB -1.410 36.566 38.000 -0.040 0.000 1.044 123 I HN 0.264 nan 8.210 nan 0.000 0.402 124 I N 0.177 120.902 120.570 0.258 0.000 2.179 124 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 124 I C 2.061 178.346 176.117 0.280 0.000 1.088 124 I CA 1.223 62.758 61.300 0.392 0.000 1.357 124 I CB -0.947 37.217 38.000 0.272 0.000 1.051 124 I HN 0.462 nan 8.210 nan 0.000 0.409 125 G N 1.098 109.994 108.800 0.160 0.000 2.651 125 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.315 125 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.315 125 G C 0.475 175.445 174.900 0.117 0.000 1.258 125 G CA 1.006 46.167 45.100 0.103 0.000 1.002 125 G HN 0.446 nan 8.290 nan 0.000 0.551 126 N N 0.048 118.795 118.700 0.078 0.000 2.299 126 N HA 0.320 5.060 4.740 -0.000 0.000 0.246 126 N C 1.793 177.354 175.510 0.086 0.000 1.254 126 N CA 1.306 54.415 53.050 0.097 0.000 0.879 126 N CB 0.608 39.129 38.487 0.056 0.000 1.214 126 N HN 1.140 nan 8.380 nan 0.000 0.510 127 V N -1.476 118.466 119.914 0.047 0.000 2.490 127 V HA -0.035 4.084 4.120 -0.000 0.000 0.250 127 V C 1.483 177.549 176.094 -0.046 0.000 1.061 127 V CA 1.404 63.638 62.300 -0.110 0.000 1.064 127 V CB -1.064 30.553 31.823 -0.342 0.000 0.670 127 V HN 0.066 nan 8.190 nan 0.000 0.461 128 F N 1.572 121.557 119.950 0.058 0.000 2.604 128 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 128 F C 2.240 178.156 175.800 0.193 0.000 1.131 128 F CA 1.334 59.397 58.000 0.106 0.000 1.457 128 F CB -0.251 38.806 39.000 0.095 0.000 1.095 128 F HN 0.197 nan 8.300 nan 0.000 0.574 129 S N -1.256 114.628 115.700 0.306 0.000 2.559 129 S HA 0.112 4.582 4.470 -0.000 0.000 0.226 129 S C 0.112 174.833 174.600 0.203 0.000 1.000 129 S CA -0.314 58.021 58.200 0.225 0.000 0.948 129 S CB -0.287 63.019 63.200 0.177 0.000 0.870 129 S HN 0.128 nan 8.310 nan 0.000 0.497 130 F N 4.220 124.173 119.950 0.005 0.000 2.462 130 F HA 0.320 4.847 4.527 -0.000 0.000 0.360 130 F C 1.262 177.037 175.800 -0.042 0.000 1.134 130 F CA -1.087 56.881 58.000 -0.053 0.000 1.148 130 F CB 0.264 39.186 39.000 -0.130 0.000 1.147 130 F HN -0.085 nan 8.300 nan 0.000 0.550 131 K N 4.915 125.139 120.400 -0.294 0.000 2.089 131 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 131 K C -0.673 175.724 176.600 -0.337 0.000 1.048 131 K CA 1.861 57.983 56.287 -0.274 0.000 0.926 131 K CB -1.084 31.283 32.500 -0.220 0.000 0.714 131 K HN 0.460 nan 8.250 nan 0.000 0.448 132 P HA -0.117 nan 4.420 nan 0.000 0.224 132 P C -0.119 177.065 177.300 -0.194 0.000 1.142 132 P CA 1.087 63.950 63.100 -0.395 0.000 0.778 132 P CB 0.039 31.412 31.700 -0.546 0.000 0.764 133 I N -0.692 119.790 120.570 -0.148 0.000 2.355 133 I HA 0.179 4.348 4.170 -0.000 0.000 0.288 133 I C 1.505 177.615 176.117 -0.011 0.000 0.999 133 I CA -0.643 60.631 61.300 -0.042 0.000 1.163 133 I CB 1.904 39.897 38.000 -0.012 0.000 1.316 133 I HN -0.243 nan 8.210 nan 0.000 0.454 134 K N 5.028 125.428 120.400 -0.000 0.000 2.057 134 K HA 0.072 4.392 4.320 -0.000 0.000 0.206 134 K C 0.551 177.201 176.600 0.084 0.000 1.050 134 K CA 1.100 57.398 56.287 0.018 0.000 0.935 134 K CB 0.294 32.796 32.500 0.003 0.000 0.715 134 K HN 0.767 nan 8.250 nan 0.000 0.439 135 A N -0.514 122.372 122.820 0.109 0.000 2.572 135 A HA 0.745 5.064 4.320 -0.000 0.000 0.295 135 A C -1.737 175.908 177.584 0.101 0.000 1.072 135 A CA -0.461 51.726 52.037 0.250 0.000 0.691 135 A CB 2.033 21.149 19.000 0.193 0.000 1.291 135 A HN 0.208 nan 8.150 nan 0.000 0.404 136 A N 0.905 123.732 122.820 0.012 0.000 2.517 136 A HA 0.859 5.179 4.320 -0.000 0.000 0.297 136 A C -0.704 176.779 177.584 -0.169 0.000 1.050 136 A CA -0.444 51.467 52.037 -0.209 0.000 0.694 136 A CB 1.406 20.096 19.000 -0.517 0.000 1.277 136 A HN 1.123 nan 8.150 nan 0.000 0.400 137 R N 1.573 122.093 120.500 0.033 0.000 2.604 137 R HA 0.603 4.943 4.340 -0.000 0.000 0.281 137 R C -2.002 174.407 176.300 0.181 0.000 1.020 137 R CA -0.795 55.430 56.100 0.209 0.000 0.899 137 R CB 1.534 31.927 30.300 0.155 0.000 1.205 137 R HN 0.691 nan 8.270 nan 0.000 0.450 138 L N 4.204 125.547 121.223 0.200 0.000 2.261 138 L HA 0.262 4.602 4.340 -0.000 0.000 0.289 138 L C 0.674 177.464 176.870 -0.134 0.000 1.059 138 L CA 0.427 55.185 54.840 -0.137 0.000 0.816 138 L CB 1.200 43.197 42.059 -0.102 0.000 1.191 138 L HN 0.743 nan 8.230 nan 0.000 0.431 139 E N 2.135 122.203 120.200 -0.220 0.000 2.140 139 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 139 E C -0.164 176.330 176.600 -0.176 0.000 0.973 139 E CA 0.535 56.824 56.400 -0.185 0.000 0.829 139 E CB 0.404 29.881 29.700 -0.372 0.000 0.781 139 E HN 0.671 nan 8.360 nan 0.000 0.466 140 D N -1.572 118.681 120.400 -0.246 0.000 2.671 140 D HA 0.397 5.037 4.640 -0.000 0.000 0.273 140 D C -1.284 175.018 176.300 0.004 0.000 1.264 140 D CA -0.404 53.550 54.000 -0.076 0.000 0.788 140 D CB 1.361 42.188 40.800 0.045 0.000 1.324 140 D HN -0.203 nan 8.370 nan 0.000 0.424 141 M N 0.689 120.263 119.600 -0.043 0.000 2.622 141 M HA 0.450 4.930 4.480 -0.000 0.000 0.276 141 M C -0.954 174.914 176.300 -0.719 0.000 1.265 141 M CA -0.892 54.163 55.300 -0.408 0.000 0.850 141 M CB 2.883 35.118 32.600 -0.609 0.000 1.720 141 M HN 0.124 nan 8.290 nan 0.000 0.465 142 R N 1.569 121.436 120.500 -1.055 0.000 2.513 142 R HA 0.611 4.951 4.340 -0.000 0.000 0.301 142 R C -2.306 173.507 176.300 -0.813 0.000 0.968 142 R CA -0.216 55.344 56.100 -0.900 0.000 0.872 142 R CB 1.047 30.815 30.300 -0.886 0.000 1.177 142 R HN 0.650 nan 8.270 nan 0.000 0.444 143 F N 5.807 125.589 119.950 -0.281 0.000 2.402 143 F HA 0.411 4.937 4.527 -0.000 0.000 0.355 143 F C -1.489 174.238 175.800 -0.121 0.000 1.123 143 F CA -2.087 55.809 58.000 -0.174 0.000 1.021 143 F CB 1.959 40.893 39.000 -0.111 0.000 1.160 143 F HN 0.255 nan 8.300 nan 0.000 0.451 144 P HA -0.004 nan 4.420 nan 0.000 0.268 144 P C 0.884 178.270 177.300 0.144 0.000 1.205 144 P CA -0.007 63.153 63.100 0.100 0.000 0.771 144 P CB 1.714 33.483 31.700 0.115 0.000 0.858 145 V N 3.205 123.173 119.914 0.090 0.000 2.324 145 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 145 V C 2.692 178.859 176.094 0.122 0.000 1.060 145 V CA 2.882 65.239 62.300 0.095 0.000 1.042 145 V CB -1.728 30.145 31.823 0.082 0.000 0.650 145 V HN 0.696 nan 8.190 nan 0.000 0.450 146 A N -1.262 121.636 122.820 0.130 0.000 1.940 146 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 146 A C 2.141 179.837 177.584 0.186 0.000 1.176 146 A CA 2.342 54.460 52.037 0.136 0.000 0.631 146 A CB -0.652 18.427 19.000 0.132 0.000 0.814 146 A HN 0.668 nan 8.150 nan 0.000 0.446 147 Y N 0.058 120.418 120.300 0.100 0.000 2.231 147 Y HA -0.032 4.518 4.550 -0.000 0.000 0.294 147 Y C 2.365 178.373 175.900 0.180 0.000 1.120 147 Y CA 1.343 59.520 58.100 0.129 0.000 1.141 147 Y CB -0.267 38.272 38.460 0.131 0.000 1.022 147 Y HN 0.040 nan 8.280 nan 0.000 0.523 148 V N 1.089 121.101 119.914 0.163 0.000 2.380 148 V HA -0.344 3.776 4.120 -0.000 0.000 0.251 148 V C 2.191 178.357 176.094 0.120 0.000 1.063 148 V CA 2.127 64.483 62.300 0.094 0.000 1.055 148 V CB -0.625 31.262 31.823 0.107 0.000 0.657 148 V HN 0.291 nan 8.190 nan 0.000 0.455 149 K N 0.636 121.086 120.400 0.083 0.000 2.442 149 K HA -0.106 4.214 4.320 -0.000 0.000 0.198 149 K C 2.050 178.641 176.600 -0.015 0.000 1.044 149 K CA 1.571 57.889 56.287 0.052 0.000 0.948 149 K CB -0.716 31.813 32.500 0.049 0.000 0.762 149 K HN 0.780 nan 8.250 nan 0.000 0.472 150 T N -2.271 112.218 114.554 -0.107 0.000 3.100 150 T HA 0.096 4.446 4.350 -0.000 0.000 0.253 150 T C 0.513 174.926 174.700 -0.478 0.000 1.118 150 T CA -0.148 61.765 62.100 -0.312 0.000 1.058 150 T CB -0.173 68.405 68.868 -0.484 0.000 0.953 150 T HN -0.151 nan 8.240 nan 0.000 0.515 151 F N 0.377 120.203 119.950 -0.206 0.000 2.458 151 F HA 0.733 5.260 4.527 -0.000 0.000 0.330 151 F C 1.357 177.109 175.800 -0.080 0.000 1.082 151 F CA -1.273 56.632 58.000 -0.157 0.000 0.995 151 F CB 1.426 40.312 39.000 -0.190 0.000 1.170 151 F HN -0.007 nan 8.300 nan 0.000 0.478 152 A N 1.989 124.876 122.820 0.112 0.000 2.067 152 A HA 0.452 4.772 4.320 -0.000 0.000 0.217 152 A C 1.317 178.948 177.584 0.078 0.000 1.156 152 A CA 0.849 52.928 52.037 0.068 0.000 0.683 152 A CB -1.141 17.884 19.000 0.040 0.000 0.808 152 A HN 1.389 nan 8.150 nan 0.000 0.455 153 G N -1.329 107.532 108.800 0.102 0.000 2.741 153 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.222 153 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.222 153 G C -2.874 172.042 174.900 0.026 0.000 1.364 153 G CA -0.490 44.640 45.100 0.050 0.000 0.866 153 G HN 0.287 nan 8.290 nan 0.000 0.555 154 P HA 0.135 nan 4.420 nan 0.000 0.266 154 P C 1.123 178.429 177.300 0.010 0.000 1.186 154 P CA 0.965 64.059 63.100 -0.010 0.000 0.767 154 P CB 0.491 32.168 31.700 -0.039 0.000 0.820 155 S N -0.141 115.570 115.700 0.018 0.000 2.603 155 S HA 0.005 4.475 4.470 -0.000 0.000 0.220 155 S C 0.912 175.519 174.600 0.012 0.000 0.967 155 S CA 1.095 59.308 58.200 0.021 0.000 0.920 155 S CB -0.425 62.798 63.200 0.038 0.000 0.773 155 S HN 0.462 nan 8.310 nan 0.000 0.529 156 T N -0.324 114.238 114.554 0.014 0.000 3.601 156 T HA 0.561 4.911 4.350 -0.000 0.000 0.242 156 T C 0.549 175.263 174.700 0.024 0.000 0.958 156 T CA 0.311 62.423 62.100 0.020 0.000 1.120 156 T CB 0.215 69.100 68.868 0.028 0.000 1.154 156 T HN 0.977 nan 8.240 nan 0.000 0.375 157 G N 1.032 109.845 108.800 0.022 0.000 2.712 157 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 157 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 157 G C 0.557 175.477 174.900 0.032 0.000 1.321 157 G CA -0.342 44.764 45.100 0.011 0.000 0.813 157 G HN 0.399 nan 8.290 nan 0.000 0.599 158 I N 0.909 121.488 120.570 0.016 0.000 2.068 158 I HA -0.276 3.894 4.170 -0.000 0.000 0.238 158 I C 2.960 179.113 176.117 0.060 0.000 1.046 158 I CA 2.157 63.475 61.300 0.030 0.000 1.306 158 I CB -0.543 37.463 38.000 0.010 0.000 1.023 158 I HN 0.605 nan 8.210 nan 0.000 0.399 159 I N 0.338 120.947 120.570 0.064 0.000 2.091 159 I HA -0.320 3.850 4.170 -0.000 0.000 0.239 159 I C 2.576 178.757 176.117 0.105 0.000 1.061 159 I CA 1.695 63.052 61.300 0.094 0.000 1.317 159 I CB -0.458 37.588 38.000 0.075 0.000 1.031 159 I HN 0.069 nan 8.210 nan 0.000 0.401 160 V N 0.527 120.487 119.914 0.077 0.000 2.343 160 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 160 V C 2.459 178.598 176.094 0.076 0.000 1.051 160 V CA 2.206 64.549 62.300 0.073 0.000 1.036 160 V CB -0.776 31.078 31.823 0.051 0.000 0.654 160 V HN 0.506 nan 8.190 nan 0.000 0.451 161 E N 0.393 120.639 120.200 0.077 0.000 2.038 161 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 161 E C 2.494 179.127 176.600 0.054 0.000 1.000 161 E CA 1.558 58.012 56.400 0.091 0.000 0.803 161 E CB -0.118 29.664 29.700 0.136 0.000 0.750 161 E HN 0.495 nan 8.360 nan 0.000 0.448 162 R N 0.201 120.718 120.500 0.028 0.000 2.105 162 R HA -0.153 4.187 4.340 -0.000 0.000 0.239 162 R C 2.285 178.473 176.300 -0.186 0.000 1.135 162 R CA 1.665 57.691 56.100 -0.123 0.000 0.967 162 R CB -0.199 30.070 30.300 -0.052 0.000 0.861 162 R HN 0.365 nan 8.270 nan 0.000 0.442 163 E N -0.046 120.205 120.200 0.086 0.000 2.274 163 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 163 E C 1.946 178.594 176.600 0.079 0.000 0.996 163 E CA 0.620 57.130 56.400 0.184 0.000 0.840 163 E CB 0.072 29.899 29.700 0.212 0.000 0.772 163 E HN 0.315 nan 8.360 nan 0.000 0.491 164 R N 0.118 120.640 120.500 0.038 0.000 2.161 164 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 164 R C 2.150 178.449 176.300 -0.001 0.000 1.055 164 R CA 0.516 56.636 56.100 0.033 0.000 0.996 164 R CB 0.106 30.435 30.300 0.048 0.000 0.901 164 R HN 0.156 nan 8.270 nan 0.000 0.456 165 L N -0.038 121.150 121.223 -0.059 0.000 2.416 165 L HA 0.052 4.392 4.340 -0.000 0.000 0.216 165 L C 0.242 176.989 176.870 -0.206 0.000 1.098 165 L CA 0.109 54.879 54.840 -0.116 0.000 0.840 165 L CB -0.038 41.943 42.059 -0.131 0.000 0.981 165 L HN 0.156 nan 8.230 nan 0.000 0.462 166 D N 1.514 121.719 120.400 -0.324 0.000 2.800 166 D HA -0.194 4.445 4.640 -0.000 0.000 0.232 166 D C -0.163 175.811 176.300 -0.544 0.000 1.137 166 D CA 0.847 54.641 54.000 -0.342 0.000 0.718 166 D CB -0.759 40.021 40.800 -0.032 0.000 1.084 166 D HN 0.279 nan 8.370 nan 0.000 0.432 167 K N 0.814 120.677 120.400 -0.895 0.000 2.559 167 K HA 0.480 4.800 4.320 -0.000 0.000 0.249 167 K C -0.633 175.556 176.600 -0.684 0.000 0.958 167 K CA -0.541 55.414 56.287 -0.552 0.000 0.901 167 K CB 0.861 33.172 32.500 -0.315 0.000 1.124 167 K HN -0.022 nan 8.250 nan 0.000 0.437 168 F N -0.190 119.769 119.950 0.016 0.000 2.577 168 F HA 0.443 4.970 4.527 -0.000 0.000 0.318 168 F C 1.175 176.988 175.800 0.023 0.000 1.065 168 F CA -1.021 56.992 58.000 0.021 0.000 0.929 168 F CB 2.142 41.154 39.000 0.020 0.000 1.237 168 F HN 0.660 nan 8.300 nan 0.000 0.468 169 G N 2.159 111.093 108.800 0.223 0.000 2.273 169 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.280 169 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.280 169 G C -0.375 174.585 174.900 0.099 0.000 1.047 169 G CA 0.407 45.589 45.100 0.137 0.000 0.869 169 G HN 1.030 nan 8.290 nan 0.000 0.502 170 R N -1.659 118.891 120.500 0.084 0.000 2.725 170 R HA 0.557 4.897 4.340 -0.000 0.000 0.254 170 R C -3.260 173.074 176.300 0.057 0.000 1.076 170 R CA -1.630 54.511 56.100 0.068 0.000 0.940 170 R CB 1.096 31.432 30.300 0.059 0.000 1.260 170 R HN 0.051 nan 8.270 nan 0.000 0.466 171 P HA 0.076 nan 4.420 nan 0.000 0.270 171 P C -0.394 176.936 177.300 0.050 0.000 1.223 171 P CA -0.287 62.854 63.100 0.068 0.000 0.785 171 P CB 0.824 32.584 31.700 0.100 0.000 0.923 172 L N 1.258 122.505 121.223 0.040 0.000 2.379 172 L HA 0.392 4.732 4.340 -0.000 0.000 0.269 172 L C 0.779 177.691 176.870 0.070 0.000 1.084 172 L CA -0.926 53.929 54.840 0.025 0.000 0.802 172 L CB 0.473 42.560 42.059 0.047 0.000 1.175 172 L HN 0.262 nan 8.230 nan 0.000 0.448 173 L N 1.067 122.315 121.223 0.042 0.000 2.295 173 L HA 0.712 5.052 4.340 -0.000 0.000 0.285 173 L C 0.019 176.967 176.870 0.130 0.000 1.035 173 L CA -0.191 54.717 54.840 0.113 0.000 0.806 173 L CB 1.610 43.719 42.059 0.084 0.000 1.214 173 L HN 0.721 nan 8.230 nan 0.000 0.426 174 G N 2.300 111.211 108.800 0.184 0.000 2.696 174 G HA2 0.756 4.716 3.960 -0.000 0.000 0.295 174 G HA3 0.756 4.716 3.960 -0.000 0.000 0.295 174 G C -1.613 173.372 174.900 0.141 0.000 1.398 174 G CA 0.027 45.233 45.100 0.177 0.000 0.920 174 G HN 0.832 nan 8.290 nan 0.000 0.492 175 A N 0.079 122.939 122.820 0.067 0.000 2.507 175 A HA 0.996 5.316 4.320 -0.000 0.000 0.284 175 A C -0.433 177.153 177.584 0.002 0.000 1.281 175 A CA -0.655 51.417 52.037 0.057 0.000 0.744 175 A CB 1.481 20.503 19.000 0.036 0.000 1.332 175 A HN 1.048 nan 8.150 nan 0.000 0.454 176 T N 0.947 115.499 114.554 -0.002 0.000 2.916 176 T HA 0.479 4.829 4.350 -0.000 0.000 0.298 176 T C -0.726 173.941 174.700 -0.055 0.000 1.031 176 T CA -0.282 61.806 62.100 -0.021 0.000 0.993 176 T CB 1.392 70.274 68.868 0.023 0.000 1.045 176 T HN 0.548 nan 8.240 nan 0.000 0.454 177 T N 3.206 117.696 114.554 -0.107 0.000 3.462 177 T HA 0.063 4.413 4.350 -0.000 0.000 0.257 177 T C 1.481 176.141 174.700 -0.065 0.000 1.015 177 T CA -0.358 61.617 62.100 -0.208 0.000 1.135 177 T CB 0.042 68.567 68.868 -0.573 0.000 1.061 177 T HN 0.437 nan 8.240 nan 0.000 0.772 178 K N 3.821 124.204 120.400 -0.027 0.000 2.152 178 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 178 K C -0.885 175.746 176.600 0.051 0.000 1.048 178 K CA 0.791 57.091 56.287 0.022 0.000 0.933 178 K CB -1.149 31.364 32.500 0.022 0.000 0.721 178 K HN 0.320 nan 8.250 nan 0.000 0.447 179 P HA -0.231 nan 4.420 nan 0.000 0.218 179 P C -0.225 177.146 177.300 0.118 0.000 1.154 179 P CA 1.315 64.468 63.100 0.088 0.000 0.872 179 P CB 0.000 31.767 31.700 0.111 0.000 0.790 180 K N -2.295 118.218 120.400 0.187 0.000 1.850 180 K HA -0.233 4.086 4.320 -0.000 0.000 0.415 180 K C -0.393 176.279 176.600 0.120 0.000 1.767 180 K CA 0.565 56.953 56.287 0.169 0.000 0.759 180 K CB -1.539 31.016 32.500 0.091 0.000 1.141 180 K HN -0.085 nan 8.250 nan 0.000 0.757 181 L N 1.159 122.407 121.223 0.043 0.000 2.678 181 L HA 0.127 4.467 4.340 -0.000 0.000 0.276 181 L C 1.270 178.067 176.870 -0.122 0.000 1.142 181 L CA 1.207 56.024 54.840 -0.039 0.000 0.961 181 L CB 0.036 42.043 42.059 -0.086 0.000 1.291 181 L HN 0.852 nan 8.230 nan 0.000 0.476 182 G N 2.870 111.612 108.800 -0.096 0.000 3.784 182 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.220 182 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.220 182 G C -0.821 174.169 174.900 0.151 0.000 0.895 182 G CA -0.659 44.385 45.100 -0.093 0.000 0.939 182 G HN 0.320 nan 8.290 nan 0.000 0.708 183 L N 1.802 123.185 121.223 0.266 0.000 2.333 183 L HA 0.854 5.194 4.340 -0.000 0.000 0.263 183 L C 0.598 177.629 176.870 0.267 0.000 1.014 183 L CA -0.471 54.524 54.840 0.258 0.000 0.820 183 L CB 2.203 44.405 42.059 0.238 0.000 1.352 183 L HN 0.303 nan 8.230 nan 0.000 0.421 184 S N -0.372 115.404 115.700 0.126 0.000 2.690 184 S HA 0.519 4.989 4.470 -0.000 0.000 0.291 184 S C 1.038 175.620 174.600 -0.029 0.000 1.138 184 S CA -0.161 58.038 58.200 -0.002 0.000 1.013 184 S CB 1.317 64.469 63.200 -0.080 0.000 1.053 184 S HN 0.825 nan 8.310 nan 0.000 0.539 185 G N 0.875 109.630 108.800 -0.075 0.000 2.505 185 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 185 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 185 G C 1.411 176.021 174.900 -0.483 0.000 1.145 185 G CA 1.023 46.088 45.100 -0.059 0.000 0.761 185 G HN 0.799 nan 8.290 nan 0.000 0.571 186 R N 0.457 120.360 120.500 -0.994 0.000 2.082 186 R HA -0.114 4.225 4.340 -0.000 0.000 0.234 186 R C 2.517 178.601 176.300 -0.360 0.000 1.136 186 R CA 1.934 57.388 56.100 -1.078 0.000 0.935 186 R CB -0.437 29.444 30.300 -0.699 0.000 0.842 186 R HN 0.461 nan 8.270 nan 0.000 0.430 187 N N -0.989 117.607 118.700 -0.172 0.000 2.188 187 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 187 N C 1.455 176.998 175.510 0.056 0.000 1.018 187 N CA 1.279 54.312 53.050 -0.028 0.000 0.858 187 N CB -0.210 38.285 38.487 0.013 0.000 0.989 187 N HN 0.271 nan 8.380 nan 0.000 0.426 188 Y N 1.099 121.375 120.300 -0.041 0.000 2.163 188 Y HA -0.082 4.468 4.550 -0.000 0.000 0.288 188 Y C 2.439 178.366 175.900 0.046 0.000 1.136 188 Y CA 1.727 59.842 58.100 0.024 0.000 1.147 188 Y CB -0.658 37.837 38.460 0.057 0.000 0.987 188 Y HN 0.016 nan 8.280 nan 0.000 0.509 189 G N 0.034 108.977 108.800 0.239 0.000 2.442 189 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 189 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 189 G C 1.721 176.690 174.900 0.116 0.000 1.141 189 G CA 0.959 46.183 45.100 0.206 0.000 0.763 189 G HN 0.421 nan 8.290 nan 0.000 0.554 190 R N 0.019 120.566 120.500 0.078 0.000 2.083 190 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 190 R C 2.586 178.931 176.300 0.075 0.000 1.137 190 R CA 1.706 57.870 56.100 0.106 0.000 0.951 190 R CB -0.557 29.784 30.300 0.067 0.000 0.851 190 R HN 0.196 nan 8.270 nan 0.000 0.434 191 V N 0.550 120.455 119.914 -0.015 0.000 2.380 191 V HA -0.265 3.854 4.120 -0.000 0.000 0.251 191 V C 2.373 178.414 176.094 -0.087 0.000 1.063 191 V CA 1.850 64.105 62.300 -0.076 0.000 1.055 191 V CB -0.360 31.360 31.823 -0.171 0.000 0.657 191 V HN 0.249 nan 8.190 nan 0.000 0.455 192 V N -1.115 118.746 119.914 -0.089 0.000 2.307 192 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 192 V C 2.199 178.314 176.094 0.036 0.000 1.045 192 V CA 2.244 64.511 62.300 -0.055 0.000 1.024 192 V CB -0.835 30.967 31.823 -0.034 0.000 0.651 192 V HN 0.616 nan 8.190 nan 0.000 0.449 193 Y N 1.528 121.812 120.300 -0.028 0.000 2.128 193 Y HA -0.224 4.325 4.550 -0.000 0.000 0.284 193 Y C 2.609 178.498 175.900 -0.019 0.000 1.154 193 Y CA 1.866 59.960 58.100 -0.010 0.000 1.149 193 Y CB -0.357 38.110 38.460 0.012 0.000 0.976 193 Y HN 0.264 nan 8.280 nan 0.000 0.505 194 E N -0.074 120.021 120.200 -0.175 0.000 2.038 194 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 194 E C 2.479 178.953 176.600 -0.210 0.000 1.000 194 E CA 1.293 57.541 56.400 -0.253 0.000 0.803 194 E CB -1.085 28.555 29.700 -0.099 0.000 0.750 194 E HN 0.608 nan 8.360 nan 0.000 0.448 195 G N 1.517 110.239 108.800 -0.131 0.000 2.459 195 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 195 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 195 G C 1.807 176.639 174.900 -0.114 0.000 1.183 195 G CA 0.839 45.875 45.100 -0.107 0.000 0.776 195 G HN 0.153 nan 8.290 nan 0.000 0.552 196 L N 0.207 121.367 121.223 -0.106 0.000 2.017 196 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 196 L C 2.845 179.641 176.870 -0.122 0.000 1.073 196 L CA 1.702 56.488 54.840 -0.090 0.000 0.745 196 L CB -0.403 41.632 42.059 -0.039 0.000 0.894 196 L HN 0.233 nan 8.230 nan 0.000 0.432 197 K N 0.450 120.724 120.400 -0.210 0.000 2.103 197 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 197 K C 1.868 178.368 176.600 -0.166 0.000 1.048 197 K CA 1.415 57.563 56.287 -0.232 0.000 0.930 197 K CB -0.310 31.899 32.500 -0.484 0.000 0.716 197 K HN 0.363 nan 8.250 nan 0.000 0.444 198 G N -0.813 107.886 108.800 -0.169 0.000 2.708 198 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.210 198 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.210 198 G C 0.830 175.671 174.900 -0.098 0.000 1.141 198 G CA 0.728 45.751 45.100 -0.128 0.000 0.788 198 G HN 0.574 nan 8.290 nan 0.000 0.531 199 G N -1.024 107.723 108.800 -0.089 0.000 2.296 199 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.188 199 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.188 199 G C 0.372 175.231 174.900 -0.068 0.000 1.000 199 G CA -0.217 44.841 45.100 -0.069 0.000 0.672 199 G HN 0.366 nan 8.290 nan 0.000 0.483 200 L N 1.507 122.688 121.223 -0.070 0.000 2.456 200 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 200 L C 1.036 177.839 176.870 -0.112 0.000 1.189 200 L CA -0.257 54.550 54.840 -0.056 0.000 0.846 200 L CB 0.539 42.574 42.059 -0.039 0.000 1.111 200 L HN 0.024 nan 8.230 nan 0.000 0.475 201 D N 1.476 121.772 120.400 -0.174 0.000 2.271 201 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 201 D C -0.228 175.748 176.300 -0.540 0.000 0.967 201 D CA 1.180 54.931 54.000 -0.415 0.000 0.867 201 D CB 0.377 40.821 40.800 -0.593 0.000 0.960 201 D HN 0.117 nan 8.370 nan 0.000 0.509 202 F N -0.400 119.510 119.950 -0.066 0.000 2.626 202 F HA 0.476 5.003 4.527 -0.000 0.000 0.311 202 F C -0.184 175.418 175.800 -0.330 0.000 1.088 202 F CA -1.010 56.859 58.000 -0.217 0.000 0.949 202 F CB 1.433 40.298 39.000 -0.225 0.000 1.322 202 F HN -0.377 nan 8.300 nan 0.000 0.461 203 M N 1.908 121.346 119.600 -0.269 0.000 2.393 203 M HA 0.339 4.819 4.480 -0.000 0.000 0.299 203 M C -0.860 175.127 176.300 -0.521 0.000 1.103 203 M CA -0.705 54.417 55.300 -0.296 0.000 0.910 203 M CB 2.459 34.957 32.600 -0.169 0.000 1.659 203 M HN 0.655 nan 8.290 nan 0.000 0.445 204 K N 1.622 121.810 120.400 -0.353 0.000 2.182 204 K HA 0.409 4.729 4.320 -0.000 0.000 0.262 204 K C -1.019 175.549 176.600 -0.052 0.000 0.957 204 K CA -0.504 55.655 56.287 -0.214 0.000 0.842 204 K CB 1.247 33.744 32.500 -0.005 0.000 1.099 204 K HN 0.485 nan 8.250 nan 0.000 0.438 205 D N 2.376 122.791 120.400 0.024 0.000 2.414 205 D HA -0.037 4.603 4.640 -0.000 0.000 0.242 205 D C -0.373 175.984 176.300 0.095 0.000 1.129 205 D CA 0.388 54.482 54.000 0.156 0.000 0.885 205 D CB 0.631 41.523 40.800 0.153 0.000 1.198 205 D HN 0.411 nan 8.370 nan 0.000 0.437 206 D N 1.553 122.056 120.400 0.171 0.000 2.533 206 D HA -0.105 4.535 4.640 -0.000 0.000 0.236 206 D C 1.333 177.645 176.300 0.021 0.000 1.137 206 D CA 0.212 54.269 54.000 0.094 0.000 0.867 206 D CB 0.640 41.527 40.800 0.144 0.000 1.170 206 D HN 0.609 nan 8.370 nan 0.000 0.474 207 E N 3.067 123.257 120.200 -0.018 0.000 2.370 207 E HA -0.368 3.982 4.350 -0.000 0.000 0.232 207 E C 0.340 176.923 176.600 -0.028 0.000 1.117 207 E CA 2.201 58.570 56.400 -0.051 0.000 0.963 207 E CB -0.344 29.379 29.700 0.039 0.000 0.810 207 E HN 0.500 nan 8.360 nan 0.000 0.464 208 N N 0.180 118.885 118.700 0.007 0.000 2.241 208 N HA 0.243 4.983 4.740 -0.000 0.000 0.238 208 N C -0.639 174.878 175.510 0.012 0.000 1.244 208 N CA -0.063 52.994 53.050 0.011 0.000 0.880 208 N CB 0.928 39.426 38.487 0.018 0.000 1.179 208 N HN 0.334 nan 8.380 nan 0.000 0.513 209 I N -2.065 118.518 120.570 0.022 0.000 2.291 209 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 209 I C 0.020 176.153 176.117 0.025 0.000 1.064 209 I CA -0.283 61.033 61.300 0.027 0.000 1.269 209 I CB 0.791 38.813 38.000 0.037 0.000 1.418 209 I HN 0.046 nan 8.210 nan 0.000 0.485 210 N N 3.447 122.151 118.700 0.007 0.000 2.414 210 N HA 0.026 4.766 4.740 -0.000 0.000 0.189 210 N C 0.381 175.884 175.510 -0.011 0.000 1.039 210 N CA 0.205 53.246 53.050 -0.016 0.000 0.889 210 N CB 0.345 38.798 38.487 -0.056 0.000 1.085 210 N HN 0.665 nan 8.380 nan 0.000 0.442 211 S N 0.532 116.231 115.700 -0.002 0.000 2.856 211 S HA 0.133 4.603 4.470 -0.000 0.000 0.140 211 S C -1.539 173.090 174.600 0.048 0.000 0.931 211 S CA -0.411 57.808 58.200 0.030 0.000 0.993 211 S CB -0.280 62.947 63.200 0.044 0.000 1.688 211 S HN 0.110 nan 8.310 nan 0.000 0.529 212 Q N 1.837 121.673 119.800 0.060 0.000 2.396 212 Q HA 0.405 4.745 4.340 -0.000 0.000 0.221 212 Q C -2.363 173.709 176.000 0.120 0.000 1.025 212 Q CA -1.564 54.284 55.803 0.074 0.000 0.946 212 Q CB 0.208 28.983 28.738 0.061 0.000 1.224 212 Q HN 0.269 nan 8.270 nan 0.000 0.539 213 P HA 0.021 nan 4.420 nan 0.000 0.244 213 P C -1.188 176.264 177.300 0.253 0.000 1.723 213 P CA 0.789 63.974 63.100 0.142 0.000 1.110 213 P CB -0.060 31.702 31.700 0.103 0.000 1.972 214 F N -0.149 119.817 119.950 0.027 0.000 1.905 214 F HA 0.260 4.787 4.527 -0.000 0.000 0.363 214 F C -0.750 175.062 175.800 0.021 0.000 0.981 214 F CA -0.164 57.846 58.000 0.018 0.000 1.118 214 F CB 0.218 39.225 39.000 0.011 0.000 1.472 214 F HN -0.028 nan 8.300 nan 0.000 0.473 215 M N 1.396 121.079 119.600 0.139 0.000 2.151 215 M HA 0.340 4.820 4.480 -0.000 0.000 0.290 215 M C -1.625 174.721 176.300 0.076 0.000 0.965 215 M CA -0.693 54.634 55.300 0.044 0.000 0.930 215 M CB 1.030 33.667 32.600 0.061 0.000 1.560 215 M HN 0.261 nan 8.290 nan 0.000 0.438 216 H N 5.668 124.707 119.070 -0.052 0.000 2.722 216 H HA 0.099 4.655 4.556 -0.000 0.000 0.328 216 H C 0.854 176.114 175.328 -0.114 0.000 1.067 216 H CA 0.601 56.594 56.048 -0.091 0.000 1.447 216 H CB 0.703 30.340 29.762 -0.208 0.000 1.469 216 H HN 0.798 nan 8.280 nan 0.000 0.544 217 W N 5.073 126.043 121.300 -0.550 0.000 2.308 217 W HA -0.260 4.400 4.660 -0.000 0.000 0.301 217 W C 0.955 177.177 176.519 -0.494 0.000 1.220 217 W CA 1.088 58.118 57.345 -0.526 0.000 1.240 217 W CB -0.608 28.429 29.460 -0.704 0.000 1.142 217 W HN 0.584 nan 8.180 nan 0.000 0.521 218 R N 0.885 120.748 120.500 -1.062 0.000 2.082 218 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 218 R C 1.978 178.268 176.300 -0.017 0.000 1.136 218 R CA 2.153 57.853 56.100 -0.667 0.000 0.935 218 R CB -0.759 29.023 30.300 -0.863 0.000 0.842 218 R HN 0.093 nan 8.270 nan 0.000 0.430 219 D N 0.143 120.538 120.400 -0.009 0.000 2.116 219 D HA -0.216 4.423 4.640 -0.000 0.000 0.193 219 D C 1.904 178.372 176.300 0.280 0.000 0.998 219 D CA 1.136 55.209 54.000 0.123 0.000 0.836 219 D CB -0.283 40.593 40.800 0.127 0.000 0.951 219 D HN 0.227 nan 8.370 nan 0.000 0.449 220 R N -0.126 120.524 120.500 0.251 0.000 2.073 220 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 220 R C 2.319 178.917 176.300 0.498 0.000 1.134 220 R CA 1.053 57.347 56.100 0.323 0.000 0.952 220 R CB -0.302 30.104 30.300 0.177 0.000 0.850 220 R HN 0.037 nan 8.270 nan 0.000 0.433 221 F N 0.966 121.044 119.950 0.213 0.000 2.126 221 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 221 F C 2.255 178.095 175.800 0.067 0.000 1.096 221 F CA 0.754 58.854 58.000 0.167 0.000 1.255 221 F CB -0.777 38.360 39.000 0.228 0.000 0.997 221 F HN 0.040 nan 8.300 nan 0.000 0.479 222 L N -1.155 120.229 121.223 0.269 0.000 1.970 222 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 222 L C 2.509 179.351 176.870 -0.046 0.000 1.071 222 L CA 1.905 56.759 54.840 0.023 0.000 0.751 222 L CB -1.761 40.234 42.059 -0.105 0.000 0.889 222 L HN 0.058 nan 8.230 nan 0.000 0.432 223 F N -0.462 119.568 119.950 0.134 0.000 2.102 223 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 223 F C 2.578 178.448 175.800 0.117 0.000 1.105 223 F CA 1.034 59.103 58.000 0.113 0.000 1.239 223 F CB -1.075 38.004 39.000 0.132 0.000 0.991 223 F HN -0.175 nan 8.300 nan 0.000 0.474 224 V N -0.346 119.773 119.914 0.342 0.000 2.287 224 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 224 V C 2.468 178.631 176.094 0.116 0.000 1.053 224 V CA 1.606 64.044 62.300 0.231 0.000 1.027 224 V CB -0.546 31.407 31.823 0.218 0.000 0.646 224 V HN 0.253 nan 8.190 nan 0.000 0.447 225 M N -0.303 119.335 119.600 0.062 0.000 2.279 225 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 225 M C 1.960 178.269 176.300 0.015 0.000 1.062 225 M CA 1.573 56.877 55.300 0.005 0.000 1.099 225 M CB -1.387 31.183 32.600 -0.050 0.000 1.394 225 M HN 0.463 nan 8.290 nan 0.000 0.426 226 D N 0.247 120.665 120.400 0.029 0.000 2.117 226 D HA -0.051 4.589 4.640 -0.000 0.000 0.198 226 D C 1.889 178.201 176.300 0.021 0.000 0.982 226 D CA 1.629 55.636 54.000 0.011 0.000 0.828 226 D CB 0.156 40.966 40.800 0.017 0.000 0.967 226 D HN 0.237 nan 8.370 nan 0.000 0.464 227 A N 0.050 122.916 122.820 0.076 0.000 1.858 227 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 227 A C 2.586 180.249 177.584 0.132 0.000 1.190 227 A CA 1.798 53.895 52.037 0.100 0.000 0.617 227 A CB -1.003 18.098 19.000 0.167 0.000 0.827 227 A HN 0.191 nan 8.150 nan 0.000 0.443 228 V N 1.194 121.164 119.914 0.093 0.000 2.282 228 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 228 V C 2.391 178.526 176.094 0.070 0.000 1.057 228 V CA 2.258 64.603 62.300 0.076 0.000 1.032 228 V CB -0.977 30.871 31.823 0.042 0.000 0.645 228 V HN 0.577 nan 8.190 nan 0.000 0.447 229 N N 0.079 118.805 118.700 0.043 0.000 2.084 229 N HA -0.192 4.547 4.740 -0.000 0.000 0.190 229 N C 1.934 177.467 175.510 0.039 0.000 1.030 229 N CA 1.517 54.584 53.050 0.028 0.000 0.849 229 N CB -0.250 38.240 38.487 0.005 0.000 1.012 229 N HN 0.352 nan 8.380 nan 0.000 0.423 230 K N 1.473 121.883 120.400 0.016 0.000 2.103 230 K HA -0.019 4.301 4.320 -0.000 0.000 0.207 230 K C 1.810 178.529 176.600 0.198 0.000 1.048 230 K CA 1.328 57.603 56.287 -0.019 0.000 0.930 230 K CB -0.482 31.828 32.500 -0.316 0.000 0.716 230 K HN 0.151 nan 8.250 nan 0.000 0.444 231 A N -0.404 122.600 122.820 0.307 0.000 1.873 231 A HA -0.140 4.179 4.320 -0.000 0.000 0.215 231 A C 2.298 179.959 177.584 0.130 0.000 1.186 231 A CA 2.093 54.304 52.037 0.291 0.000 0.616 231 A CB -1.158 17.955 19.000 0.189 0.000 0.823 231 A HN 0.417 nan 8.150 nan 0.000 0.442 232 S N -0.127 115.624 115.700 0.086 0.000 2.370 232 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 232 S C 2.050 176.679 174.600 0.048 0.000 1.033 232 S CA 1.664 59.892 58.200 0.046 0.000 1.011 232 S CB -0.464 62.756 63.200 0.033 0.000 0.852 232 S HN 0.867 nan 8.310 nan 0.000 0.457 233 A N 0.042 122.898 122.820 0.059 0.000 2.168 233 A HA 0.463 4.783 4.320 -0.000 0.000 0.215 233 A C 2.041 179.663 177.584 0.063 0.000 1.152 233 A CA 1.346 53.414 52.037 0.050 0.000 0.716 233 A CB -0.638 18.386 19.000 0.040 0.000 0.794 233 A HN 0.721 nan 8.150 nan 0.000 0.465 234 A N -1.073 121.800 122.820 0.089 0.000 2.197 234 A HA 0.211 4.531 4.320 -0.000 0.000 0.210 234 A C 2.054 179.665 177.584 0.044 0.000 1.180 234 A CA 1.533 53.622 52.037 0.086 0.000 0.846 234 A CB -0.264 18.828 19.000 0.153 0.000 0.884 234 A HN 0.602 nan 8.150 nan 0.000 0.487 235 T N -5.580 108.993 114.554 0.031 0.000 2.999 235 T HA 0.413 4.763 4.350 -0.000 0.000 0.247 235 T C 1.401 176.106 174.700 0.008 0.000 1.012 235 T CA 1.206 63.311 62.100 0.008 0.000 1.048 235 T CB 0.128 68.990 68.868 -0.010 0.000 1.020 235 T HN 1.623 nan 8.240 nan 0.000 0.478 236 G N 2.281 111.090 108.800 0.014 0.000 2.142 236 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.225 236 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.225 236 G C -0.295 174.607 174.900 0.004 0.000 1.015 236 G CA 0.237 45.344 45.100 0.012 0.000 0.716 236 G HN 1.050 nan 8.290 nan 0.000 0.508 237 E N -1.355 118.841 120.200 -0.006 0.000 2.429 237 E HA 0.674 5.024 4.350 -0.000 0.000 0.276 237 E C -0.411 176.173 176.600 -0.026 0.000 0.953 237 E CA -1.259 55.128 56.400 -0.022 0.000 0.787 237 E CB 1.797 31.472 29.700 -0.042 0.000 1.307 237 E HN 0.273 nan 8.360 nan 0.000 0.458 238 V N 2.113 122.004 119.914 -0.039 0.000 2.521 238 V HA 0.157 4.277 4.120 -0.000 0.000 0.286 238 V C 0.079 176.143 176.094 -0.051 0.000 1.034 238 V CA 0.004 62.287 62.300 -0.029 0.000 1.045 238 V CB 0.183 31.991 31.823 -0.024 0.000 0.974 238 V HN 0.523 nan 8.190 nan 0.000 0.480 239 K N 2.952 123.345 120.400 -0.012 0.000 2.350 239 K HA 0.882 5.202 4.320 -0.000 0.000 0.241 239 K C 0.060 176.704 176.600 0.074 0.000 0.994 239 K CA -0.439 55.842 56.287 -0.010 0.000 0.839 239 K CB 2.459 34.961 32.500 0.003 0.000 1.244 239 K HN 0.866 nan 8.250 nan 0.000 0.443 240 G N -0.733 108.153 108.800 0.143 0.000 2.623 240 G HA2 0.445 4.405 3.960 -0.000 0.000 0.290 240 G HA3 0.445 4.405 3.960 -0.000 0.000 0.290 240 G C -1.605 173.382 174.900 0.145 0.000 1.437 240 G CA -0.355 44.874 45.100 0.215 0.000 0.798 240 G HN 0.345 nan 8.290 nan 0.000 0.488 241 S N -0.914 114.787 115.700 0.002 0.000 2.619 241 S HA 0.510 4.980 4.470 -0.000 0.000 0.280 241 S C -1.317 173.187 174.600 -0.159 0.000 1.150 241 S CA -0.607 57.496 58.200 -0.162 0.000 0.978 241 S CB 0.562 63.703 63.200 -0.098 0.000 1.041 241 S HN 0.533 nan 8.310 nan 0.000 0.485 242 Y N 4.717 124.885 120.300 -0.220 0.000 2.529 242 Y HA 0.227 4.777 4.550 -0.000 0.000 0.342 242 Y C 0.511 176.277 175.900 -0.223 0.000 1.249 242 Y CA -0.813 57.104 58.100 -0.304 0.000 1.810 242 Y CB -1.016 37.149 38.460 -0.492 0.000 1.653 242 Y HN 0.426 nan 8.280 nan 0.000 0.451 243 L N 3.228 124.374 121.223 -0.128 0.000 2.530 243 L HA -0.010 4.330 4.340 -0.000 0.000 0.273 243 L C 0.964 177.776 176.870 -0.097 0.000 1.141 243 L CA 0.356 55.027 54.840 -0.280 0.000 0.905 243 L CB -0.011 41.593 42.059 -0.759 0.000 1.202 243 L HN 0.611 nan 8.230 nan 0.000 0.473 244 N N 2.597 121.319 118.700 0.037 0.000 2.452 244 N HA 0.015 4.755 4.740 -0.000 0.000 0.266 244 N C 0.507 176.098 175.510 0.136 0.000 1.209 244 N CA -0.300 52.790 53.050 0.065 0.000 0.929 244 N CB 1.023 39.541 38.487 0.051 0.000 1.063 244 N HN 0.402 nan 8.380 nan 0.000 0.472 245 V N 2.810 122.743 119.914 0.031 0.000 3.578 245 V HA 0.007 4.127 4.120 -0.000 0.000 0.290 245 V C 0.267 176.272 176.094 -0.148 0.000 1.376 245 V CA 0.305 62.581 62.300 -0.040 0.000 1.083 245 V CB 0.297 32.080 31.823 -0.066 0.000 0.911 245 V HN 0.698 nan 8.190 nan 0.000 0.433 246 T N 2.404 116.895 114.554 -0.106 0.000 2.908 246 T HA 0.467 4.817 4.350 -0.000 0.000 0.301 246 T C 0.089 174.688 174.700 -0.169 0.000 1.019 246 T CA 0.923 62.949 62.100 -0.123 0.000 1.152 246 T CB 0.769 69.594 68.868 -0.073 0.000 0.966 246 T HN 0.573 nan 8.240 nan 0.000 0.540 247 A N 2.336 125.046 122.820 -0.183 0.000 2.588 247 A HA 0.793 5.113 4.320 -0.000 0.000 0.290 247 A C 1.297 178.791 177.584 -0.151 0.000 1.136 247 A CA -0.288 51.633 52.037 -0.193 0.000 0.681 247 A CB 0.592 19.430 19.000 -0.269 0.000 1.282 247 A HN 0.760 nan 8.150 nan 0.000 0.421 248 G N -0.671 108.052 108.800 -0.128 0.000 2.443 248 G HA2 0.323 4.283 3.960 -0.000 0.000 0.219 248 G HA3 0.323 4.283 3.960 -0.000 0.000 0.219 248 G C 0.686 175.525 174.900 -0.102 0.000 1.131 248 G CA 1.850 46.892 45.100 -0.098 0.000 0.775 248 G HN 1.625 nan 8.290 nan 0.000 0.547 249 T N -4.054 110.426 114.554 -0.123 0.000 2.896 249 T HA 0.509 4.859 4.350 -0.000 0.000 0.297 249 T C 1.091 175.685 174.700 -0.177 0.000 1.108 249 T CA -0.803 61.224 62.100 -0.122 0.000 1.004 249 T CB 1.736 70.551 68.868 -0.088 0.000 1.159 249 T HN -0.211 nan 8.240 nan 0.000 0.499 250 M N 0.485 119.966 119.600 -0.197 0.000 2.213 250 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 250 M C 1.721 177.840 176.300 -0.301 0.000 1.062 250 M CA 1.588 56.689 55.300 -0.331 0.000 1.105 250 M CB -1.334 31.069 32.600 -0.328 0.000 1.385 250 M HN 0.763 nan 8.290 nan 0.000 0.417 251 E N 0.271 120.390 120.200 -0.134 0.000 2.077 251 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 251 E C 1.928 178.488 176.600 -0.067 0.000 0.989 251 E CA 1.261 57.638 56.400 -0.039 0.000 0.800 251 E CB -0.217 29.477 29.700 -0.011 0.000 0.746 251 E HN 0.554 nan 8.360 nan 0.000 0.452 252 E N -0.097 120.025 120.200 -0.130 0.000 2.047 252 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 252 E C 2.089 178.518 176.600 -0.285 0.000 0.987 252 E CA 0.965 57.251 56.400 -0.191 0.000 0.799 252 E CB -0.157 29.415 29.700 -0.215 0.000 0.752 252 E HN 0.193 nan 8.360 nan 0.000 0.449 253 M N 0.037 119.459 119.600 -0.296 0.000 2.073 253 M HA -0.252 4.228 4.480 -0.000 0.000 0.258 253 M C 1.895 178.014 176.300 -0.302 0.000 1.070 253 M CA 1.777 56.876 55.300 -0.336 0.000 1.103 253 M CB -0.194 32.184 32.600 -0.369 0.000 1.321 253 M HN 0.181 nan 8.290 nan 0.000 0.405 254 Y N -1.154 118.966 120.300 -0.300 0.000 2.293 254 Y HA -0.243 4.307 4.550 -0.000 0.000 0.291 254 Y C 2.647 178.395 175.900 -0.254 0.000 1.137 254 Y CA 0.878 58.758 58.100 -0.367 0.000 1.202 254 Y CB -0.185 38.136 38.460 -0.232 0.000 0.990 254 Y HN 0.273 nan 8.280 nan 0.000 0.537 255 R N 0.700 121.196 120.500 -0.007 0.000 2.081 255 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 255 R C 2.160 178.478 176.300 0.030 0.000 1.131 255 R CA 1.462 57.583 56.100 0.035 0.000 0.960 255 R CB -0.036 30.277 30.300 0.023 0.000 0.856 255 R HN 0.295 nan 8.270 nan 0.000 0.436 256 R N -0.549 119.785 120.500 -0.276 0.000 2.119 256 R HA 0.039 4.379 4.340 -0.000 0.000 0.222 256 R C 2.283 178.643 176.300 0.100 0.000 1.088 256 R CA 0.964 56.857 56.100 -0.345 0.000 0.984 256 R CB -0.176 29.645 30.300 -0.799 0.000 0.884 256 R HN 0.195 nan 8.270 nan 0.000 0.447 257 A N 1.597 124.343 122.820 -0.123 0.000 1.877 257 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 257 A C 1.904 179.497 177.584 0.015 0.000 1.186 257 A CA 1.266 53.127 52.037 -0.294 0.000 0.620 257 A CB -0.217 18.159 19.000 -1.041 0.000 0.822 257 A HN 0.141 nan 8.150 nan 0.000 0.443 258 E N -1.066 119.208 120.200 0.123 0.000 2.110 258 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 258 E C 1.758 178.619 176.600 0.435 0.000 0.988 258 E CA 0.967 57.596 56.400 0.382 0.000 0.804 258 E CB -0.414 29.469 29.700 0.305 0.000 0.745 258 E HN 0.648 nan 8.360 nan 0.000 0.458 259 F N 1.599 121.736 119.950 0.312 0.000 2.146 259 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 259 F C 2.255 178.289 175.800 0.391 0.000 1.096 259 F CA 1.003 59.224 58.000 0.368 0.000 1.275 259 F CB -0.676 38.637 39.000 0.521 0.000 1.008 259 F HN -0.050 nan 8.300 nan 0.000 0.480 260 A N 0.508 123.554 122.820 0.377 0.000 1.865 260 A HA -0.285 4.034 4.320 -0.000 0.000 0.217 260 A C 2.406 180.038 177.584 0.079 0.000 1.191 260 A CA 2.125 54.237 52.037 0.126 0.000 0.623 260 A CB -1.010 18.058 19.000 0.113 0.000 0.826 260 A HN 0.440 nan 8.150 nan 0.000 0.444 261 K N 0.200 120.741 120.400 0.235 0.000 2.032 261 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 261 K C 2.361 179.028 176.600 0.111 0.000 1.048 261 K CA 2.130 58.547 56.287 0.217 0.000 0.927 261 K CB -0.297 32.417 32.500 0.357 0.000 0.712 261 K HN 0.613 nan 8.250 nan 0.000 0.441 262 S N 1.040 116.818 115.700 0.130 0.000 2.383 262 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 262 S C 1.992 176.589 174.600 -0.005 0.000 1.030 262 S CA 1.291 59.544 58.200 0.089 0.000 1.002 262 S CB -0.621 62.689 63.200 0.184 0.000 0.829 262 S HN 0.395 nan 8.310 nan 0.000 0.467 263 L N 0.959 122.110 121.223 -0.119 0.000 2.465 263 L HA 0.206 4.545 4.340 -0.000 0.000 0.224 263 L C 1.902 178.730 176.870 -0.071 0.000 1.145 263 L CA 0.510 55.259 54.840 -0.152 0.000 0.834 263 L CB -1.064 40.820 42.059 -0.292 0.000 0.944 263 L HN 0.680 nan 8.230 nan 0.000 0.451 264 G N 0.041 108.822 108.800 -0.033 0.000 2.140 264 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.211 264 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.211 264 G C 0.253 175.150 174.900 -0.006 0.000 1.013 264 G CA 0.288 45.382 45.100 -0.010 0.000 0.705 264 G HN 0.272 nan 8.290 nan 0.000 0.508 265 S N -0.948 114.743 115.700 -0.014 0.000 2.531 265 S HA 0.401 4.871 4.470 -0.000 0.000 0.279 265 S C 1.543 176.157 174.600 0.023 0.000 1.305 265 S CA 0.361 58.554 58.200 -0.011 0.000 1.058 265 S CB 1.538 64.703 63.200 -0.058 0.000 0.899 265 S HN 1.137 nan 8.310 nan 0.000 0.493 266 V N 6.076 126.014 119.914 0.040 0.000 3.041 266 V HA 0.353 4.473 4.120 -0.000 0.000 0.260 266 V C 0.564 176.685 176.094 0.046 0.000 1.105 266 V CA 1.122 63.457 62.300 0.058 0.000 1.125 266 V CB -0.478 31.405 31.823 0.099 0.000 0.730 266 V HN 0.778 nan 8.190 nan 0.000 0.479 267 I N -1.015 119.569 120.570 0.022 0.000 2.994 267 I HA 0.521 4.691 4.170 -0.000 0.000 0.306 267 I C -1.247 174.851 176.117 -0.032 0.000 1.195 267 I CA -0.875 60.403 61.300 -0.037 0.000 1.001 267 I CB 2.376 40.301 38.000 -0.125 0.000 1.244 267 I HN 0.001 nan 8.210 nan 0.000 0.437 268 I N 5.746 126.288 120.570 -0.045 0.000 3.074 268 I HA 0.539 4.709 4.170 -0.000 0.000 0.310 268 I C -1.547 174.538 176.117 -0.053 0.000 1.153 268 I CA -0.940 60.343 61.300 -0.028 0.000 0.993 268 I CB 2.218 40.244 38.000 0.043 0.000 1.237 268 I HN 0.671 nan 8.210 nan 0.000 0.443 269 M N 5.336 124.916 119.600 -0.034 0.000 2.386 269 M HA 0.628 5.108 4.480 -0.000 0.000 0.293 269 M C -2.232 174.068 176.300 0.000 0.000 1.120 269 M CA -0.496 54.795 55.300 -0.015 0.000 0.909 269 M CB 1.942 34.519 32.600 -0.039 0.000 1.661 269 M HN 0.339 nan 8.290 nan 0.000 0.452 270 V N 2.857 122.785 119.914 0.025 0.000 2.876 270 V HA 0.448 4.568 4.120 -0.000 0.000 0.312 270 V C -1.283 174.832 176.094 0.035 0.000 1.085 270 V CA -0.706 61.593 62.300 -0.002 0.000 0.945 270 V CB 2.588 34.393 31.823 -0.031 0.000 1.017 270 V HN 0.847 nan 8.190 nan 0.000 0.428 271 D N 1.605 122.012 120.400 0.013 0.000 2.225 271 D HA 0.373 5.013 4.640 -0.000 0.000 0.248 271 D C 1.065 177.340 176.300 -0.041 0.000 1.096 271 D CA -0.360 53.663 54.000 0.039 0.000 0.863 271 D CB 1.800 42.627 40.800 0.045 0.000 1.156 271 D HN 0.447 nan 8.370 nan 0.000 0.450 272 L N 2.717 123.903 121.223 -0.061 0.000 2.051 272 L HA -0.236 4.103 4.340 -0.000 0.000 0.214 272 L C 1.773 178.527 176.870 -0.193 0.000 1.076 272 L CA 1.347 56.099 54.840 -0.148 0.000 0.758 272 L CB -0.175 41.812 42.059 -0.121 0.000 0.890 272 L HN 0.635 nan 8.230 nan 0.000 0.433 273 I N -1.269 119.230 120.570 -0.118 0.000 2.479 273 I HA -0.308 3.862 4.170 -0.000 0.000 0.258 273 I C 2.307 178.346 176.117 -0.131 0.000 1.165 273 I CA 0.835 62.071 61.300 -0.107 0.000 1.422 273 I CB -0.633 37.331 38.000 -0.059 0.000 1.087 273 I HN 0.108 nan 8.210 nan 0.000 0.441 274 V N 1.040 120.872 119.914 -0.138 0.000 2.469 274 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 274 V C 1.163 177.163 176.094 -0.158 0.000 1.064 274 V CA 1.403 63.621 62.300 -0.136 0.000 1.066 274 V CB -1.646 30.098 31.823 -0.132 0.000 0.667 274 V HN 0.762 nan 8.190 nan 0.000 0.461 275 G N -2.840 105.815 108.800 -0.242 0.000 2.640 275 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 275 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 275 G C -0.262 174.498 174.900 -0.233 0.000 1.229 275 G CA -0.252 44.685 45.100 -0.272 0.000 0.796 275 G HN 0.154 nan 8.290 nan 0.000 0.654 276 W N 0.324 121.615 121.300 -0.016 0.000 2.321 276 W HA -0.085 4.574 4.660 -0.000 0.000 0.306 276 W C 2.837 179.341 176.519 -0.025 0.000 1.217 276 W CA 1.859 59.189 57.345 -0.024 0.000 1.257 276 W CB -0.399 29.022 29.460 -0.065 0.000 1.145 276 W HN 0.654 nan 8.180 nan 0.000 0.509 277 T N -0.672 113.989 114.554 0.178 0.000 2.821 277 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 277 T C 1.682 176.404 174.700 0.038 0.000 1.046 277 T CA 1.462 63.618 62.100 0.094 0.000 1.139 277 T CB -0.738 68.165 68.868 0.058 0.000 0.871 277 T HN 0.192 nan 8.240 nan 0.000 0.454 278 C N 0.874 120.166 119.300 -0.014 0.000 2.446 278 C HA 0.092 4.552 4.460 -0.000 0.000 0.277 278 C C 2.635 177.598 174.990 -0.043 0.000 1.275 278 C CA 0.012 58.986 59.018 -0.074 0.000 1.727 278 C CB -1.197 26.469 27.740 -0.124 0.000 2.010 278 C HN 0.545 nan 8.230 nan 0.000 0.486 279 I N 0.647 121.212 120.570 -0.009 0.000 2.226 279 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 279 I C 2.722 178.889 176.117 0.083 0.000 1.100 279 I CA 1.601 62.917 61.300 0.028 0.000 1.374 279 I CB -0.650 37.378 38.000 0.046 0.000 1.057 279 I HN 0.483 nan 8.210 nan 0.000 0.413 280 Q N 0.196 120.062 119.800 0.111 0.000 2.084 280 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 280 Q C 2.452 178.526 176.000 0.123 0.000 0.978 280 Q CA 1.898 57.774 55.803 0.123 0.000 0.844 280 Q CB -0.150 28.661 28.738 0.122 0.000 0.898 280 Q HN 0.449 nan 8.270 nan 0.000 0.426 281 S N 0.262 116.029 115.700 0.112 0.000 2.368 281 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 281 S C 1.867 176.632 174.600 0.275 0.000 1.030 281 S CA 0.941 59.248 58.200 0.178 0.000 0.999 281 S CB -0.044 63.229 63.200 0.122 0.000 0.844 281 S HN 0.288 nan 8.310 nan 0.000 0.459 282 M N 1.183 120.887 119.600 0.174 0.000 2.175 282 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 282 M C 2.438 178.909 176.300 0.285 0.000 1.063 282 M CA 0.982 56.415 55.300 0.222 0.000 1.119 282 M CB -1.613 31.021 32.600 0.057 0.000 1.377 282 M HN 0.326 nan 8.290 nan 0.000 0.415 283 S N 0.769 116.583 115.700 0.190 0.000 2.356 283 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 283 S C 1.693 176.393 174.600 0.167 0.000 1.032 283 S CA 1.439 59.733 58.200 0.157 0.000 1.005 283 S CB -0.107 63.162 63.200 0.114 0.000 0.867 283 S HN 0.440 nan 8.310 nan 0.000 0.449 284 N N 0.398 119.202 118.700 0.173 0.000 2.069 284 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 284 N C 1.196 176.799 175.510 0.155 0.000 1.031 284 N CA 1.481 54.613 53.050 0.137 0.000 0.852 284 N CB -0.816 37.752 38.487 0.135 0.000 1.018 284 N HN 0.669 nan 8.380 nan 0.000 0.423 285 W N 1.671 123.012 121.300 0.069 0.000 2.333 285 W HA -0.237 4.423 4.660 -0.000 0.000 0.316 285 W C 2.338 178.872 176.519 0.026 0.000 1.215 285 W CA 1.377 58.745 57.345 0.038 0.000 1.278 285 W CB -0.654 28.874 29.460 0.113 0.000 1.154 285 W HN 0.011 nan 8.180 nan 0.000 0.486 286 C N 0.228 119.722 119.300 0.323 0.000 2.401 286 C HA -0.224 4.236 4.460 -0.000 0.000 0.276 286 C C 2.670 177.596 174.990 -0.105 0.000 1.233 286 C CA 1.477 60.552 59.018 0.096 0.000 1.753 286 C CB -1.644 26.226 27.740 0.216 0.000 2.029 286 C HN 0.405 nan 8.230 nan 0.000 0.478 287 R N 0.971 121.444 120.500 -0.046 0.000 2.083 287 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 287 R C 2.099 178.319 176.300 -0.134 0.000 1.137 287 R CA 1.613 57.675 56.100 -0.063 0.000 0.951 287 R CB -0.575 29.712 30.300 -0.022 0.000 0.851 287 R HN 0.483 nan 8.270 nan 0.000 0.434 288 Q N 0.024 119.709 119.800 -0.191 0.000 2.482 288 Q HA 0.061 4.401 4.340 -0.000 0.000 0.209 288 Q C 0.134 175.913 176.000 -0.367 0.000 0.961 288 Q CA 0.596 56.257 55.803 -0.237 0.000 0.945 288 Q CB 0.291 28.902 28.738 -0.210 0.000 1.012 288 Q HN 0.436 nan 8.270 nan 0.000 0.515 289 N N 0.472 118.880 118.700 -0.487 0.000 2.143 289 N HA -0.006 4.734 4.740 -0.000 0.000 0.229 289 N C -0.908 174.402 175.510 -0.334 0.000 1.294 289 N CA 0.012 52.724 53.050 -0.564 0.000 0.883 289 N CB 1.055 38.810 38.487 -1.220 0.000 1.148 289 N HN -0.005 nan 8.380 nan 0.000 0.511 290 D N 1.276 121.546 120.400 -0.218 0.000 2.697 290 D HA -0.166 4.474 4.640 -0.000 0.000 0.238 290 D C -0.246 176.011 176.300 -0.073 0.000 1.152 290 D CA 0.949 54.883 54.000 -0.111 0.000 0.666 290 D CB -0.731 40.022 40.800 -0.079 0.000 1.037 290 D HN 0.271 nan 8.370 nan 0.000 0.423 291 M N 0.069 119.633 119.600 -0.060 0.000 2.598 291 M HA 0.487 4.967 4.480 -0.000 0.000 0.317 291 M C 0.548 176.865 176.300 0.028 0.000 1.179 291 M CA -0.780 54.534 55.300 0.022 0.000 0.936 291 M CB 1.953 34.637 32.600 0.141 0.000 1.713 291 M HN -0.081 nan 8.290 nan 0.000 0.460 292 I N 2.683 123.256 120.570 0.006 0.000 2.365 292 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 292 I C -0.467 175.599 176.117 -0.085 0.000 1.004 292 I CA -0.825 60.444 61.300 -0.053 0.000 1.311 292 I CB 1.196 39.130 38.000 -0.110 0.000 1.401 292 I HN 0.383 nan 8.210 nan 0.000 0.491 293 L N 7.579 128.758 121.223 -0.074 0.000 2.264 293 L HA 0.318 4.658 4.340 -0.000 0.000 0.287 293 L C -0.387 176.395 176.870 -0.147 0.000 1.039 293 L CA -0.146 54.659 54.840 -0.059 0.000 0.829 293 L CB 0.236 42.304 42.059 0.015 0.000 1.211 293 L HN 0.469 nan 8.230 nan 0.000 0.427 294 H N 5.032 123.907 119.070 -0.325 0.000 2.668 294 H HA 0.379 4.934 4.556 -0.000 0.000 0.303 294 H C -0.924 174.297 175.328 -0.178 0.000 1.074 294 H CA -0.498 55.308 56.048 -0.403 0.000 1.406 294 H CB 0.845 30.145 29.762 -0.771 0.000 1.442 294 H HN 0.581 nan 8.280 nan 0.000 0.482 295 L N 7.086 128.172 121.223 -0.229 0.000 2.282 295 L HA 0.202 4.542 4.340 -0.000 0.000 0.288 295 L C -0.872 176.048 176.870 0.083 0.000 1.033 295 L CA -0.395 54.420 54.840 -0.042 0.000 0.807 295 L CB 0.810 42.834 42.059 -0.059 0.000 1.209 295 L HN 0.830 nan 8.230 nan 0.000 0.423 296 H N 6.137 125.244 119.070 0.062 0.000 2.597 296 H HA 0.209 4.765 4.556 -0.000 0.000 0.303 296 H C 0.371 175.649 175.328 -0.084 0.000 1.057 296 H CA -0.610 55.447 56.048 0.015 0.000 1.261 296 H CB 0.757 30.531 29.762 0.019 0.000 1.397 296 H HN 0.679 nan 8.280 nan 0.000 0.461 297 R N 3.507 123.780 120.500 -0.380 0.000 3.441 297 R HA 0.230 4.570 4.340 -0.000 0.000 0.225 297 R C 0.001 176.111 176.300 -0.318 0.000 1.756 297 R CA -0.135 55.782 56.100 -0.305 0.000 1.504 297 R CB -0.354 29.738 30.300 -0.346 0.000 1.183 297 R HN 0.302 nan 8.270 nan 0.000 0.567 298 A N 0.785 123.348 122.820 -0.429 0.000 2.520 298 A HA 0.410 4.730 4.320 -0.000 0.000 0.245 298 A C 1.511 179.036 177.584 -0.099 0.000 1.072 298 A CA 0.493 52.375 52.037 -0.259 0.000 0.761 298 A CB -0.171 18.764 19.000 -0.108 0.000 1.004 298 A HN 0.751 nan 8.150 nan 0.000 0.499 299 G N 1.978 110.720 108.800 -0.097 0.000 2.217 299 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.246 299 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.246 299 G C 0.764 175.518 174.900 -0.244 0.000 0.990 299 G CA 1.372 46.393 45.100 -0.132 0.000 0.627 299 G HN 1.928 nan 8.290 nan 0.000 0.522 300 H N -0.809 118.081 119.070 -0.300 0.000 2.387 300 H HA 0.133 4.689 4.556 -0.000 0.000 0.299 300 H C 2.584 177.492 175.328 -0.699 0.000 1.099 300 H CA 1.834 57.598 56.048 -0.474 0.000 1.315 300 H CB -0.757 28.908 29.762 -0.162 0.000 1.380 300 H HN 0.535 nan 8.280 nan 0.000 0.513 301 G N 0.317 108.414 108.800 -1.172 0.000 2.532 301 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.222 301 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.222 301 G C 1.810 176.406 174.900 -0.507 0.000 1.102 301 G CA 1.653 46.261 45.100 -0.821 0.000 0.742 301 G HN 0.722 nan 8.290 nan 0.000 0.577 302 T N -1.375 112.866 114.554 -0.521 0.000 2.849 302 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 302 T C 1.953 176.559 174.700 -0.157 0.000 1.066 302 T CA 1.732 63.660 62.100 -0.288 0.000 1.130 302 T CB -0.419 68.344 68.868 -0.175 0.000 0.864 302 T HN 0.740 nan 8.240 nan 0.000 0.481 303 Y N -0.190 120.112 120.300 0.004 0.000 2.437 303 Y HA 0.417 4.967 4.550 -0.000 0.000 0.266 303 Y C 1.969 177.913 175.900 0.072 0.000 1.077 303 Y CA -0.123 58.008 58.100 0.053 0.000 1.235 303 Y CB -0.289 38.197 38.460 0.044 0.000 1.303 303 Y HN 0.227 nan 8.280 nan 0.000 0.536 304 T N -2.253 112.310 114.554 0.015 0.000 3.188 304 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 304 T C 1.415 176.160 174.700 0.075 0.000 1.077 304 T CA 0.276 62.471 62.100 0.158 0.000 0.967 304 T CB 0.176 69.219 68.868 0.291 0.000 1.006 304 T HN 0.182 nan 8.240 nan 0.000 0.552 305 R N 1.055 121.556 120.500 0.001 0.000 2.072 305 R HA 0.300 4.639 4.340 -0.000 0.000 0.214 305 R C 0.460 176.795 176.300 0.059 0.000 1.168 305 R CA 0.678 56.779 56.100 0.001 0.000 1.020 305 R CB -0.405 29.855 30.300 -0.067 0.000 0.914 305 R HN 0.209 nan 8.270 nan 0.000 0.449 306 Q N 1.399 121.245 119.800 0.076 0.000 2.296 306 Q HA 0.145 4.485 4.340 -0.000 0.000 0.263 306 Q C -0.908 175.168 176.000 0.128 0.000 1.026 306 Q CA 0.355 56.215 55.803 0.095 0.000 0.912 306 Q CB 1.307 30.103 28.738 0.097 0.000 1.198 306 Q HN -0.067 nan 8.270 nan 0.000 0.407 307 K N 3.449 123.913 120.400 0.108 0.000 2.449 307 K HA 0.073 4.393 4.320 -0.000 0.000 0.237 307 K C 0.182 176.836 176.600 0.089 0.000 1.265 307 K CA 0.071 56.425 56.287 0.112 0.000 1.193 307 K CB -0.260 32.301 32.500 0.102 0.000 1.515 307 K HN 0.676 nan 8.250 nan 0.000 0.259 308 N N -1.118 117.653 118.700 0.119 0.000 2.004 308 N HA -0.089 4.651 4.740 -0.000 0.000 0.282 308 N C -0.861 174.765 175.510 0.193 0.000 1.294 308 N CA -0.290 52.822 53.050 0.102 0.000 0.738 308 N CB 0.146 38.676 38.487 0.071 0.000 1.528 308 N HN 0.378 nan 8.380 nan 0.000 0.642 309 H N -0.198 118.959 119.070 0.146 0.000 3.086 309 H HA 0.590 5.146 4.556 -0.000 0.000 0.353 309 H C 0.044 175.534 175.328 0.269 0.000 1.134 309 H CA 0.783 56.971 56.048 0.233 0.000 1.248 309 H CB 1.615 31.491 29.762 0.191 0.000 1.878 309 H HN 0.521 nan 8.280 nan 0.000 0.527 310 G N 1.168 110.122 108.800 0.258 0.000 2.255 310 G HA2 0.107 4.067 3.960 -0.000 0.000 0.216 310 G HA3 0.107 4.067 3.960 -0.000 0.000 0.216 310 G C -1.825 173.184 174.900 0.182 0.000 1.307 310 G CA -0.297 44.944 45.100 0.236 0.000 1.162 310 G HN 0.818 nan 8.290 nan 0.000 0.494 311 V N 0.475 120.487 119.914 0.163 0.000 2.623 311 V HA 0.658 4.778 4.120 -0.000 0.000 0.304 311 V C 0.615 176.785 176.094 0.127 0.000 1.054 311 V CA 0.032 62.375 62.300 0.072 0.000 0.882 311 V CB 1.408 33.171 31.823 -0.100 0.000 1.002 311 V HN 1.349 nan 8.190 nan 0.000 0.424 312 S N 2.815 118.557 115.700 0.069 0.000 2.549 312 S HA 0.156 4.626 4.470 -0.000 0.000 0.283 312 S C 0.908 175.535 174.600 0.045 0.000 1.320 312 S CA -0.155 58.121 58.200 0.128 0.000 1.058 312 S CB 0.120 63.411 63.200 0.152 0.000 0.882 312 S HN 0.651 nan 8.310 nan 0.000 0.498 313 F N 5.844 125.739 119.950 -0.093 0.000 2.250 313 F HA -0.145 4.382 4.527 -0.000 0.000 0.301 313 F C 2.309 177.850 175.800 -0.432 0.000 1.077 313 F CA 2.158 59.958 58.000 -0.333 0.000 1.348 313 F CB -0.212 38.411 39.000 -0.628 0.000 1.040 313 F HN 0.824 nan 8.300 nan 0.000 0.509 314 R N -0.429 119.896 120.500 -0.292 0.000 2.127 314 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 314 R C 1.817 177.956 176.300 -0.268 0.000 1.134 314 R CA 1.937 57.983 56.100 -0.091 0.000 0.975 314 R CB -1.471 29.040 30.300 0.352 0.000 0.865 314 R HN 0.295 nan 8.270 nan 0.000 0.447 315 V N 1.860 121.556 119.914 -0.364 0.000 2.323 315 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 315 V C 2.581 178.119 176.094 -0.926 0.000 1.041 315 V CA 1.366 63.292 62.300 -0.623 0.000 1.025 315 V CB -0.384 31.001 31.823 -0.729 0.000 0.656 315 V HN 0.250 nan 8.190 nan 0.000 0.451 316 I N 0.945 121.035 120.570 -0.799 0.000 2.248 316 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 316 I C 2.687 178.526 176.117 -0.462 0.000 1.107 316 I CA 2.097 63.090 61.300 -0.512 0.000 1.373 316 I CB -1.652 36.170 38.000 -0.298 0.000 1.055 316 I HN 0.332 nan 8.210 nan 0.000 0.418 317 A N 0.775 123.127 122.820 -0.780 0.000 1.930 317 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 317 A C 2.384 179.839 177.584 -0.215 0.000 1.175 317 A CA 1.382 53.077 52.037 -0.569 0.000 0.627 317 A CB -0.412 18.227 19.000 -0.602 0.000 0.815 317 A HN 0.364 nan 8.150 nan 0.000 0.443 318 K N -1.236 119.100 120.400 -0.106 0.000 2.026 318 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 318 K C 1.904 178.629 176.600 0.209 0.000 1.048 318 K CA 1.479 57.916 56.287 0.250 0.000 0.929 318 K CB -0.297 32.467 32.500 0.440 0.000 0.713 318 K HN 0.663 nan 8.250 nan 0.000 0.439 319 W N 1.536 122.775 121.300 -0.102 0.000 2.335 319 W HA -0.118 4.542 4.660 -0.000 0.000 0.311 319 W C 1.983 178.391 176.519 -0.185 0.000 1.213 319 W CA 0.697 57.854 57.345 -0.313 0.000 1.274 319 W CB -1.149 27.973 29.460 -0.564 0.000 1.148 319 W HN 0.040 nan 8.180 nan 0.000 0.498 320 L N -0.217 121.135 121.223 0.215 0.000 2.079 320 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 320 L C 2.721 179.602 176.870 0.019 0.000 1.081 320 L CA 1.625 56.572 54.840 0.177 0.000 0.752 320 L CB -0.748 41.376 42.059 0.108 0.000 0.896 320 L HN -0.023 nan 8.230 nan 0.000 0.433 321 R N 0.468 120.923 120.500 -0.075 0.000 2.075 321 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 321 R C 2.342 178.568 176.300 -0.123 0.000 1.126 321 R CA 1.155 57.148 56.100 -0.177 0.000 0.963 321 R CB -0.145 29.898 30.300 -0.428 0.000 0.858 321 R HN 0.285 nan 8.270 nan 0.000 0.435 322 L N 0.367 121.506 121.223 -0.140 0.000 2.083 322 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 322 L C 2.719 179.524 176.870 -0.108 0.000 1.083 322 L CA 1.294 55.949 54.840 -0.308 0.000 0.752 322 L CB -0.586 40.904 42.059 -0.949 0.000 0.899 322 L HN 0.322 nan 8.230 nan 0.000 0.433 323 A N -0.303 122.499 122.820 -0.031 0.000 1.940 323 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 323 A C 1.801 179.445 177.584 0.100 0.000 1.176 323 A CA 1.702 53.803 52.037 0.108 0.000 0.631 323 A CB -0.634 18.474 19.000 0.180 0.000 0.814 323 A HN 0.589 nan 8.150 nan 0.000 0.446 324 G N -2.497 106.333 108.800 0.049 0.000 2.147 324 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.128 324 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.128 324 G C -0.032 174.881 174.900 0.022 0.000 1.026 324 G CA -0.137 44.986 45.100 0.038 0.000 0.693 324 G HN 0.739 nan 8.290 nan 0.000 0.499 325 V N 0.703 120.620 119.914 0.004 0.000 2.811 325 V HA 0.320 4.440 4.120 -0.000 0.000 0.302 325 V C 1.088 177.157 176.094 -0.042 0.000 1.063 325 V CA 0.517 62.806 62.300 -0.018 0.000 1.088 325 V CB 1.418 33.224 31.823 -0.029 0.000 0.982 325 V HN 0.249 nan 8.190 nan 0.000 0.485 326 D N -0.163 120.212 120.400 -0.041 0.000 2.379 326 D HA 0.126 4.766 4.640 -0.000 0.000 0.218 326 D C 0.540 176.887 176.300 0.079 0.000 1.006 326 D CA 0.855 54.856 54.000 0.002 0.000 0.893 326 D CB 0.293 41.097 40.800 0.007 0.000 1.019 326 D HN 0.673 nan 8.370 nan 0.000 0.503 327 H N -0.444 118.456 119.070 -0.282 0.000 2.572 327 H HA 0.518 5.073 4.556 -0.000 0.000 0.359 327 H C -0.700 174.342 175.328 -0.478 0.000 1.134 327 H CA -0.642 55.144 56.048 -0.438 0.000 1.187 327 H CB 2.733 32.070 29.762 -0.708 0.000 1.597 327 H HN -0.126 nan 8.280 nan 0.000 0.524 328 M N 2.906 122.300 119.600 -0.343 0.000 2.277 328 M HA 0.188 4.668 4.480 -0.000 0.000 0.282 328 M C -1.417 174.708 176.300 -0.291 0.000 1.074 328 M CA -0.606 54.542 55.300 -0.252 0.000 0.954 328 M CB 1.878 34.382 32.600 -0.160 0.000 1.672 328 M HN 0.697 nan 8.290 nan 0.000 0.471 329 H N 3.848 122.766 119.070 -0.254 0.000 3.026 329 H HA 0.125 4.681 4.556 -0.000 0.000 0.289 329 H C 0.719 175.858 175.328 -0.315 0.000 1.022 329 H CA 1.111 56.995 56.048 -0.273 0.000 1.477 329 H CB 0.844 30.448 29.762 -0.264 0.000 1.510 329 H HN 0.782 nan 8.280 nan 0.000 0.535 330 T N 0.511 114.897 114.554 -0.279 0.000 3.056 330 T HA 0.340 4.690 4.350 -0.000 0.000 0.241 330 T C 1.022 175.668 174.700 -0.091 0.000 1.006 330 T CA 0.198 62.160 62.100 -0.230 0.000 1.115 330 T CB 1.012 69.549 68.868 -0.553 0.000 0.939 330 T HN 0.749 nan 8.240 nan 0.000 0.462 331 G N -0.204 108.570 108.800 -0.043 0.000 2.329 331 G HA2 0.285 4.245 3.960 -0.000 0.000 0.308 331 G HA3 0.285 4.245 3.960 -0.000 0.000 0.308 331 G C 0.185 175.167 174.900 0.136 0.000 1.587 331 G CA 0.107 45.256 45.100 0.082 0.000 0.978 331 G HN 0.084 nan 8.290 nan 0.000 0.685 332 T N -0.133 114.510 114.554 0.148 0.000 2.978 332 T HA 0.450 4.800 4.350 -0.000 0.000 0.262 332 T C 1.474 176.376 174.700 0.338 0.000 1.063 332 T CA 2.324 64.549 62.100 0.208 0.000 1.140 332 T CB -0.765 68.175 68.868 0.119 0.000 0.886 332 T HN 2.673 nan 8.240 nan 0.000 0.470 333 A N -0.339 122.630 122.820 0.249 0.000 1.616 333 A HA 0.019 4.339 4.320 -0.000 0.000 0.208 333 A C 1.307 178.934 177.584 0.072 0.000 1.293 333 A CA 0.577 52.723 52.037 0.182 0.000 0.657 333 A CB -2.102 17.055 19.000 0.262 0.000 1.154 333 A HN 1.330 nan 8.150 nan 0.000 0.202 334 V N 1.045 120.987 119.914 0.046 0.000 0.429 334 V HA -0.419 3.701 4.120 -0.000 0.000 0.092 334 V C 2.570 178.673 176.094 0.014 0.000 2.611 334 V CA 3.753 66.061 62.300 0.014 0.000 3.746 334 V CB -1.353 30.456 31.823 -0.024 0.000 1.016 334 V HN 2.702 nan 8.190 nan 0.000 1.067 335 G N -0.433 108.375 108.800 0.012 0.000 2.485 335 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.221 335 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.221 335 G C 0.697 175.624 174.900 0.044 0.000 1.115 335 G CA 1.675 46.781 45.100 0.009 0.000 0.751 335 G HN 0.708 nan 8.290 nan 0.000 0.567 336 K N -0.928 119.506 120.400 0.058 0.000 2.548 336 K HA 0.304 4.624 4.320 -0.000 0.000 0.282 336 K C -1.142 175.492 176.600 0.057 0.000 1.006 336 K CA -0.911 55.415 56.287 0.064 0.000 0.892 336 K CB 0.930 33.471 32.500 0.069 0.000 1.499 336 K HN -0.154 nan 8.250 nan 0.000 0.433 337 L N 3.652 124.906 121.223 0.051 0.000 2.600 337 L HA 0.091 4.431 4.340 -0.000 0.000 0.278 337 L C 0.853 177.749 176.870 0.042 0.000 1.139 337 L CA 1.108 55.973 54.840 0.042 0.000 0.933 337 L CB -0.324 41.756 42.059 0.034 0.000 1.266 337 L HN 0.888 nan 8.230 nan 0.000 0.471 338 E N 1.801 122.031 120.200 0.051 0.000 3.706 338 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 338 E C 0.226 176.872 176.600 0.077 0.000 1.251 338 E CA 0.551 56.986 56.400 0.059 0.000 1.870 338 E CB 0.824 30.566 29.700 0.070 0.000 1.842 338 E HN 0.572 nan 8.360 nan 0.000 0.862 339 G N 0.038 108.892 108.800 0.090 0.000 2.550 339 G HA2 0.335 4.295 3.960 -0.000 0.000 0.293 339 G HA3 0.335 4.295 3.960 -0.000 0.000 0.293 339 G C -1.764 173.177 174.900 0.069 0.000 1.402 339 G CA -0.314 44.844 45.100 0.097 0.000 0.784 339 G HN 0.115 nan 8.290 nan 0.000 0.482 340 D N 0.230 120.659 120.400 0.048 0.000 2.425 340 D HA 0.371 5.011 4.640 -0.000 0.000 0.247 340 D C -1.021 175.276 176.300 -0.004 0.000 1.147 340 D CA -1.158 52.852 54.000 0.016 0.000 0.879 340 D CB 1.667 42.471 40.800 0.006 0.000 1.179 340 D HN -0.031 nan 8.370 nan 0.000 0.456 341 P HA -0.222 nan 4.420 nan 0.000 0.216 341 P C 1.498 178.772 177.300 -0.044 0.000 1.167 341 P CA 1.335 64.421 63.100 -0.024 0.000 0.914 341 P CB 0.092 31.764 31.700 -0.046 0.000 0.793 342 L N -1.622 119.568 121.223 -0.055 0.000 2.012 342 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 342 L C 2.375 179.176 176.870 -0.115 0.000 1.073 342 L CA 2.100 56.898 54.840 -0.069 0.000 0.748 342 L CB -1.717 40.306 42.059 -0.060 0.000 0.891 342 L HN 0.063 nan 8.230 nan 0.000 0.431 343 T N -0.568 113.895 114.554 -0.153 0.000 2.759 343 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 343 T C 1.988 176.309 174.700 -0.631 0.000 1.042 343 T CA 1.328 63.237 62.100 -0.318 0.000 1.140 343 T CB -0.272 68.459 68.868 -0.228 0.000 0.864 343 T HN 0.077 nan 8.240 nan 0.000 0.455 344 V N 1.559 121.279 119.914 -0.323 0.000 2.427 344 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 344 V C 2.588 178.741 176.094 0.098 0.000 1.051 344 V CA 1.567 63.809 62.300 -0.097 0.000 1.048 344 V CB -0.667 31.259 31.823 0.171 0.000 0.666 344 V HN 0.528 nan 8.190 nan 0.000 0.456 345 Q N 0.002 119.811 119.800 0.016 0.000 2.224 345 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 345 Q C 2.377 178.440 176.000 0.106 0.000 0.970 345 Q CA 1.415 57.260 55.803 0.070 0.000 0.865 345 Q CB -0.444 28.290 28.738 -0.006 0.000 0.922 345 Q HN 0.732 nan 8.270 nan 0.000 0.445 346 G N 0.210 108.998 108.800 -0.020 0.000 2.421 346 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 346 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 346 G C 0.891 175.916 174.900 0.208 0.000 1.171 346 G CA 0.680 45.798 45.100 0.029 0.000 0.775 346 G HN 0.247 nan 8.290 nan 0.000 0.543 347 Y N -0.039 120.386 120.300 0.208 0.000 2.114 347 Y HA -0.062 4.488 4.550 -0.000 0.000 0.284 347 Y C 2.636 178.622 175.900 0.144 0.000 1.143 347 Y CA 0.257 58.474 58.100 0.196 0.000 1.135 347 Y CB -1.356 37.286 38.460 0.303 0.000 0.980 347 Y HN 0.235 nan 8.280 nan 0.000 0.499 348 Y N 0.499 120.912 120.300 0.189 0.000 2.207 348 Y HA -0.242 4.308 4.550 -0.000 0.000 0.287 348 Y C 2.277 178.209 175.900 0.053 0.000 1.156 348 Y CA 1.503 59.645 58.100 0.070 0.000 1.182 348 Y CB -0.700 37.793 38.460 0.054 0.000 0.979 348 Y HN 0.141 nan 8.280 nan 0.000 0.521 349 N N -0.415 118.430 118.700 0.240 0.000 2.084 349 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 349 N C 2.034 177.628 175.510 0.140 0.000 1.030 349 N CA 1.429 54.581 53.050 0.170 0.000 0.849 349 N CB -0.793 37.791 38.487 0.161 0.000 1.012 349 N HN 0.135 nan 8.380 nan 0.000 0.423 350 V N 0.596 120.608 119.914 0.164 0.000 2.453 350 V HA -0.283 3.837 4.120 -0.000 0.000 0.252 350 V C 2.299 178.298 176.094 -0.158 0.000 1.068 350 V CA 1.307 63.698 62.300 0.153 0.000 1.070 350 V CB -0.604 31.317 31.823 0.163 0.000 0.664 350 V HN 0.391 nan 8.190 nan 0.000 0.461 351 C N -0.624 118.590 119.300 -0.144 0.000 2.492 351 C HA 0.034 4.493 4.460 -0.000 0.000 0.279 351 C C 2.540 177.383 174.990 -0.245 0.000 1.335 351 C CA 0.382 59.247 59.018 -0.254 0.000 1.734 351 C CB -0.905 26.700 27.740 -0.226 0.000 2.027 351 C HN 0.510 nan 8.230 nan 0.000 0.496 352 R N 0.283 120.710 120.500 -0.121 0.000 2.397 352 R HA 0.126 4.466 4.340 -0.000 0.000 0.241 352 R C -0.728 175.558 176.300 -0.024 0.000 0.914 352 R CA -0.066 55.993 56.100 -0.068 0.000 1.071 352 R CB 0.059 30.364 30.300 0.008 0.000 1.116 352 R HN 0.455 nan 8.270 nan 0.000 0.524 353 D N 0.420 120.817 120.400 -0.005 0.000 2.345 353 D HA 0.134 4.774 4.640 -0.000 0.000 0.247 353 D C 0.710 177.109 176.300 0.164 0.000 1.108 353 D CA 0.031 54.106 54.000 0.124 0.000 0.894 353 D CB 1.608 42.558 40.800 0.250 0.000 1.203 353 D HN 0.061 nan 8.370 nan 0.000 0.430 354 A N 2.569 125.526 122.820 0.228 0.000 1.984 354 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 354 A C 0.233 178.078 177.584 0.434 0.000 1.173 354 A CA 0.706 52.904 52.037 0.269 0.000 0.673 354 A CB -0.025 19.093 19.000 0.197 0.000 0.830 354 A HN 0.581 nan 8.150 nan 0.000 0.453 355 Y N 0.177 120.642 120.300 0.274 0.000 2.294 355 Y HA 0.340 4.890 4.550 -0.000 0.000 0.329 355 Y C -0.804 175.214 175.900 0.197 0.000 1.135 355 Y CA -0.597 57.630 58.100 0.212 0.000 1.213 355 Y CB 1.005 39.535 38.460 0.116 0.000 1.141 355 Y HN -0.050 nan 8.280 nan 0.000 0.446 356 T N 5.907 120.477 114.554 0.027 0.000 2.752 356 T HA 0.173 4.523 4.350 -0.000 0.000 0.295 356 T C -0.244 174.458 174.700 0.004 0.000 0.923 356 T CA -0.081 62.077 62.100 0.097 0.000 1.112 356 T CB 0.445 69.416 68.868 0.171 0.000 0.884 356 T HN 0.588 nan 8.240 nan 0.000 0.525 357 Q N 1.943 121.841 119.800 0.162 0.000 2.235 357 Q HA 0.280 4.620 4.340 -0.000 0.000 0.250 357 Q C 0.230 176.278 176.000 0.080 0.000 0.909 357 Q CA -0.590 55.320 55.803 0.178 0.000 0.910 357 Q CB 0.921 29.782 28.738 0.205 0.000 1.223 357 Q HN 0.540 nan 8.270 nan 0.000 0.432 358 T N 2.392 116.984 114.554 0.062 0.000 2.905 358 T HA -0.026 4.324 4.350 -0.000 0.000 0.299 358 T C -0.293 174.381 174.700 -0.044 0.000 1.024 358 T CA 0.547 62.644 62.100 -0.005 0.000 1.151 358 T CB 0.031 68.898 68.868 -0.001 0.000 0.987 358 T HN 0.430 nan 8.240 nan 0.000 0.535 359 D N 3.037 123.370 120.400 -0.112 0.000 2.337 359 D HA 0.150 4.790 4.640 -0.000 0.000 0.238 359 D C 0.978 177.133 176.300 -0.242 0.000 1.331 359 D CA -0.445 53.479 54.000 -0.128 0.000 0.967 359 D CB 0.413 41.172 40.800 -0.068 0.000 1.382 359 D HN 0.358 nan 8.370 nan 0.000 0.549 360 L N 1.441 122.481 121.223 -0.306 0.000 2.187 360 L HA -0.164 4.176 4.340 -0.000 0.000 0.213 360 L C 2.477 179.161 176.870 -0.309 0.000 1.100 360 L CA 1.834 56.400 54.840 -0.456 0.000 0.765 360 L CB -0.503 41.336 42.059 -0.366 0.000 0.904 360 L HN 0.454 nan 8.230 nan 0.000 0.437 361 T N -2.866 111.579 114.554 -0.182 0.000 2.857 361 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 361 T C 1.799 176.431 174.700 -0.113 0.000 1.048 361 T CA 0.643 62.673 62.100 -0.117 0.000 1.139 361 T CB -0.209 68.614 68.868 -0.076 0.000 0.874 361 T HN 0.295 nan 8.240 nan 0.000 0.455 362 R N 0.912 121.337 120.500 -0.125 0.000 2.391 362 R HA 0.383 4.723 4.340 -0.000 0.000 0.249 362 R C 1.649 177.876 176.300 -0.121 0.000 0.957 362 R CA 0.302 56.337 56.100 -0.109 0.000 1.093 362 R CB -0.062 30.194 30.300 -0.074 0.000 1.156 362 R HN 0.604 nan 8.270 nan 0.000 0.526 363 G N 1.165 109.858 108.800 -0.179 0.000 2.168 363 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.263 363 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.263 363 G C 0.130 174.917 174.900 -0.188 0.000 0.977 363 G CA -0.098 44.906 45.100 -0.161 0.000 0.659 363 G HN 0.259 nan 8.290 nan 0.000 0.533 364 L N 0.515 121.601 121.223 -0.228 0.000 2.342 364 L HA 0.452 4.792 4.340 -0.000 0.000 0.285 364 L C 1.321 178.008 176.870 -0.305 0.000 1.095 364 L CA -0.712 54.053 54.840 -0.126 0.000 0.843 364 L CB 0.192 42.223 42.059 -0.047 0.000 1.201 364 L HN 0.050 nan 8.230 nan 0.000 0.445 365 F N 1.876 121.657 119.950 -0.281 0.000 2.569 365 F HA 0.184 4.711 4.527 -0.000 0.000 0.295 365 F C 0.504 175.945 175.800 -0.599 0.000 1.115 365 F CA 0.186 57.870 58.000 -0.526 0.000 1.450 365 F CB 0.136 38.618 39.000 -0.863 0.000 1.107 365 F HN 0.198 nan 8.300 nan 0.000 0.563 366 F N -0.552 119.449 119.950 0.085 0.000 2.593 366 F HA 0.336 4.863 4.527 -0.000 0.000 0.320 366 F C -0.086 175.675 175.800 -0.066 0.000 1.060 366 F CA -1.893 56.113 58.000 0.010 0.000 0.940 366 F CB 0.756 39.725 39.000 -0.052 0.000 1.268 366 F HN -0.341 nan 8.300 nan 0.000 0.475 367 D N 1.569 122.054 120.400 0.141 0.000 2.277 367 D HA 0.178 4.818 4.640 -0.000 0.000 0.249 367 D C -0.747 175.394 176.300 -0.266 0.000 1.134 367 D CA -0.001 53.971 54.000 -0.047 0.000 0.863 367 D CB 1.746 42.591 40.800 0.075 0.000 1.143 367 D HN 0.350 nan 8.370 nan 0.000 0.458 368 Q N 2.278 121.778 119.800 -0.500 0.000 2.357 368 Q HA 0.154 4.494 4.340 -0.000 0.000 0.266 368 Q C -1.368 174.049 176.000 -0.972 0.000 1.021 368 Q CA -0.698 54.693 55.803 -0.687 0.000 0.784 368 Q CB 1.146 29.453 28.738 -0.718 0.000 1.243 368 Q HN 0.184 nan 8.270 nan 0.000 0.465 369 D N 3.218 123.169 120.400 -0.748 0.000 2.295 369 D HA 0.092 4.732 4.640 -0.000 0.000 0.248 369 D C -0.449 175.673 176.300 -0.296 0.000 1.154 369 D CA -0.237 53.511 54.000 -0.420 0.000 0.857 369 D CB 0.552 41.342 40.800 -0.016 0.000 1.117 369 D HN 0.716 nan 8.370 nan 0.000 0.468 370 W N 3.076 124.385 121.300 0.014 0.000 3.438 370 W HA 0.289 4.949 4.660 -0.000 0.000 0.322 370 W C 1.539 178.093 176.519 0.059 0.000 1.261 370 W CA -0.172 57.196 57.345 0.039 0.000 1.788 370 W CB -0.223 29.255 29.460 0.030 0.000 1.065 370 W HN 0.644 nan 8.180 nan 0.000 0.715 371 A N 0.664 123.619 122.820 0.225 0.000 2.500 371 A HA -0.309 4.011 4.320 -0.000 0.000 0.296 371 A C 1.324 179.007 177.584 0.165 0.000 1.469 371 A CA 1.304 53.445 52.037 0.173 0.000 0.793 371 A CB -1.737 17.343 19.000 0.134 0.000 1.042 371 A HN 0.708 nan 8.150 nan 0.000 0.409 372 S N -3.428 112.380 115.700 0.181 0.000 3.361 372 S HA -0.187 4.283 4.470 -0.000 0.000 0.288 372 S C 0.330 175.000 174.600 0.116 0.000 1.269 372 S CA 0.989 59.270 58.200 0.135 0.000 0.976 372 S CB -2.009 61.251 63.200 0.099 0.000 1.162 372 S HN 1.016 nan 8.310 nan 0.000 0.643 373 L N 1.888 123.200 121.223 0.149 0.000 2.416 373 L HA 0.221 4.560 4.340 -0.000 0.000 0.272 373 L C 1.228 178.112 176.870 0.023 0.000 1.161 373 L CA -0.073 54.823 54.840 0.094 0.000 0.845 373 L CB 0.312 42.449 42.059 0.129 0.000 1.119 373 L HN 0.259 nan 8.230 nan 0.000 0.464 374 R N 2.766 123.266 120.500 0.001 0.000 2.698 374 R HA 0.051 4.391 4.340 -0.000 0.000 0.266 374 R C -0.286 175.961 176.300 -0.089 0.000 1.026 374 R CA -0.053 56.033 56.100 -0.023 0.000 1.102 374 R CB 0.223 30.519 30.300 -0.008 0.000 0.978 374 R HN 0.460 nan 8.270 nan 0.000 0.436 375 K N 1.181 121.529 120.400 -0.086 0.000 2.185 375 K HA 0.203 4.523 4.320 -0.000 0.000 0.271 375 K C -0.392 176.129 176.600 -0.131 0.000 1.013 375 K CA -0.498 55.705 56.287 -0.140 0.000 0.943 375 K CB 1.062 33.509 32.500 -0.090 0.000 0.998 375 K HN 0.180 nan 8.250 nan 0.000 0.468 376 V N 3.552 123.354 119.914 -0.187 0.000 2.567 376 V HA 0.168 4.288 4.120 -0.000 0.000 0.289 376 V C 0.270 176.255 176.094 -0.181 0.000 1.049 376 V CA -0.700 61.498 62.300 -0.170 0.000 0.969 376 V CB 1.428 33.124 31.823 -0.212 0.000 0.995 376 V HN 0.703 nan 8.190 nan 0.000 0.471 377 M N 5.938 125.425 119.600 -0.188 0.000 2.105 377 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 377 M C -2.523 173.543 176.300 -0.390 0.000 1.308 377 M CA -2.001 53.130 55.300 -0.282 0.000 1.108 377 M CB 0.965 33.320 32.600 -0.408 0.000 1.622 377 M HN 0.331 nan 8.290 nan 0.000 0.468 378 P HA 0.222 nan 4.420 nan 0.000 0.274 378 P C -0.894 176.083 177.300 -0.538 0.000 1.231 378 P CA -0.416 62.328 63.100 -0.594 0.000 0.790 378 P CB 0.847 31.941 31.700 -1.010 0.000 0.951 379 V N 1.739 121.315 119.914 -0.564 0.000 2.443 379 V HA 0.539 4.659 4.120 -0.000 0.000 0.293 379 V C -0.030 175.818 176.094 -0.409 0.000 1.021 379 V CA -0.836 61.157 62.300 -0.510 0.000 0.848 379 V CB 1.330 32.693 31.823 -0.768 0.000 0.998 379 V HN 0.607 nan 8.190 nan 0.000 0.424 380 A N 3.733 126.386 122.820 -0.280 0.000 2.302 380 A HA 0.754 5.074 4.320 -0.000 0.000 0.295 380 A C 0.171 177.683 177.584 -0.120 0.000 1.235 380 A CA -0.036 51.897 52.037 -0.173 0.000 0.876 380 A CB 0.736 19.653 19.000 -0.138 0.000 1.133 380 A HN 0.761 nan 8.150 nan 0.000 0.533 381 S N 1.644 117.336 115.700 -0.013 0.000 2.570 381 S HA 0.917 5.387 4.470 -0.000 0.000 0.286 381 S C -0.017 174.612 174.600 0.049 0.000 1.099 381 S CA 0.408 58.642 58.200 0.057 0.000 0.913 381 S CB 1.533 64.896 63.200 0.271 0.000 1.085 381 S HN 2.403 nan 8.310 nan 0.000 0.480 382 G N 1.203 110.028 108.800 0.043 0.000 2.340 382 G HA2 0.296 4.256 3.960 -0.000 0.000 0.282 382 G HA3 0.296 4.256 3.960 -0.000 0.000 0.282 382 G C -0.036 174.894 174.900 0.050 0.000 1.312 382 G CA -0.246 44.881 45.100 0.046 0.000 0.942 382 G HN 1.227 nan 8.290 nan 0.000 0.495 383 G N 0.741 109.578 108.800 0.062 0.000 2.852 383 G HA2 0.565 4.525 3.960 -0.000 0.000 0.280 383 G HA3 0.565 4.525 3.960 -0.000 0.000 0.280 383 G C 0.487 175.464 174.900 0.129 0.000 0.731 383 G CA 0.755 45.903 45.100 0.080 0.000 2.037 383 G HN 1.326 nan 8.290 nan 0.000 0.560 384 I N -0.682 119.972 120.570 0.140 0.000 2.957 384 I HA 0.961 5.131 4.170 -0.000 0.000 0.310 384 I C -0.347 175.985 176.117 0.359 0.000 1.063 384 I CA -1.642 59.771 61.300 0.188 0.000 1.033 384 I CB 2.528 40.587 38.000 0.097 0.000 1.230 384 I HN 0.497 nan 8.210 nan 0.000 0.447 385 H N 1.067 120.298 119.070 0.268 0.000 2.967 385 H HA 0.643 5.199 4.556 -0.000 0.000 0.318 385 H C 0.299 175.634 175.328 0.011 0.000 1.375 385 H CA -0.428 55.640 56.048 0.033 0.000 1.132 385 H CB 1.140 30.856 29.762 -0.077 0.000 1.848 385 H HN 0.688 nan 8.280 nan 0.000 0.524 386 A N 0.888 123.621 122.820 -0.144 0.000 1.971 386 A HA -0.221 4.099 4.320 -0.000 0.000 0.222 386 A C 2.391 179.997 177.584 0.037 0.000 1.182 386 A CA 2.623 54.597 52.037 -0.103 0.000 0.649 386 A CB -1.808 17.148 19.000 -0.073 0.000 0.818 386 A HN 1.007 nan 8.150 nan 0.000 0.458 387 G N -1.246 107.644 108.800 0.151 0.000 2.469 387 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 387 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 387 G C 1.485 176.441 174.900 0.095 0.000 1.136 387 G CA 1.170 46.377 45.100 0.178 0.000 0.759 387 G HN 0.684 nan 8.290 nan 0.000 0.562 388 Q N -0.999 118.683 119.800 -0.198 0.000 2.425 388 Q HA 0.264 4.604 4.340 -0.000 0.000 0.204 388 Q C 2.158 178.029 176.000 -0.215 0.000 0.933 388 Q CA -0.080 55.574 55.803 -0.249 0.000 0.939 388 Q CB -0.008 28.572 28.738 -0.264 0.000 1.044 388 Q HN 0.361 nan 8.270 nan 0.000 0.513 389 M N 1.038 120.650 119.600 0.020 0.000 2.405 389 M HA -0.337 4.143 4.480 -0.000 0.000 0.256 389 M C 1.860 178.183 176.300 0.037 0.000 1.067 389 M CA 2.607 57.964 55.300 0.096 0.000 1.073 389 M CB -0.705 31.983 32.600 0.147 0.000 1.273 389 M HN 0.543 nan 8.290 nan 0.000 0.443 390 H N -2.189 116.891 119.070 0.016 0.000 2.394 390 H HA -0.187 4.369 4.556 -0.000 0.000 0.297 390 H C 1.797 177.119 175.328 -0.011 0.000 1.113 390 H CA 1.844 57.897 56.048 0.008 0.000 1.277 390 H CB -0.789 28.969 29.762 -0.006 0.000 1.370 390 H HN 0.655 nan 8.280 nan 0.000 0.506 391 Q N 0.729 120.186 119.800 -0.572 0.000 2.016 391 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 391 Q C 2.587 178.424 176.000 -0.270 0.000 0.978 391 Q CA 1.481 57.047 55.803 -0.396 0.000 0.833 391 Q CB -0.036 28.431 28.738 -0.450 0.000 0.895 391 Q HN 0.469 nan 8.270 nan 0.000 0.427 392 L N 0.589 121.670 121.223 -0.238 0.000 1.970 392 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 392 L C 2.380 179.157 176.870 -0.154 0.000 1.071 392 L CA 0.852 55.565 54.840 -0.211 0.000 0.751 392 L CB -0.688 41.397 42.059 0.043 0.000 0.889 392 L HN 0.284 nan 8.230 nan 0.000 0.432 393 I N -0.425 120.138 120.570 -0.012 0.000 2.236 393 I HA -0.375 3.794 4.170 -0.000 0.000 0.249 393 I C 2.611 178.723 176.117 -0.009 0.000 1.102 393 I CA 1.845 63.167 61.300 0.036 0.000 1.365 393 I CB -1.546 36.499 38.000 0.075 0.000 1.051 393 I HN 0.489 nan 8.210 nan 0.000 0.420 394 H N 0.820 119.812 119.070 -0.130 0.000 2.363 394 H HA -0.072 4.484 4.556 -0.000 0.000 0.301 394 H C 2.156 177.346 175.328 -0.229 0.000 1.074 394 H CA 1.079 57.044 56.048 -0.139 0.000 1.354 394 H CB 0.282 29.970 29.762 -0.123 0.000 1.397 394 H HN 0.114 nan 8.280 nan 0.000 0.516 395 L N -0.145 120.868 121.223 -0.350 0.000 2.179 395 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 395 L C 1.994 178.479 176.870 -0.641 0.000 1.096 395 L CA 1.191 55.652 54.840 -0.631 0.000 0.779 395 L CB -1.012 40.428 42.059 -1.031 0.000 0.922 395 L HN 0.264 nan 8.230 nan 0.000 0.443 396 F N -1.434 118.393 119.950 -0.206 0.000 2.592 396 F HA 0.404 4.931 4.527 -0.000 0.000 0.280 396 F C 1.665 177.421 175.800 -0.074 0.000 1.083 396 F CA 0.274 58.147 58.000 -0.211 0.000 1.365 396 F CB 0.116 39.004 39.000 -0.186 0.000 1.100 396 F HN 0.167 nan 8.300 nan 0.000 0.633 397 G N 1.203 110.066 108.800 0.106 0.000 2.508 397 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 397 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 397 G C -0.175 174.793 174.900 0.113 0.000 1.287 397 G CA 0.080 45.226 45.100 0.077 0.000 0.916 397 G HN 0.110 nan 8.290 nan 0.000 0.574 398 D N 0.840 121.295 120.400 0.092 0.000 2.162 398 D HA 0.079 4.719 4.640 -0.000 0.000 0.203 398 D C 0.633 176.984 176.300 0.084 0.000 0.967 398 D CA 1.220 55.273 54.000 0.088 0.000 0.840 398 D CB -0.162 40.686 40.800 0.080 0.000 0.972 398 D HN 0.374 nan 8.370 nan 0.000 0.482 399 D N 1.096 121.547 120.400 0.085 0.000 2.508 399 D HA 0.214 4.854 4.640 -0.000 0.000 0.224 399 D C -0.271 176.058 176.300 0.048 0.000 1.171 399 D CA 0.095 54.128 54.000 0.055 0.000 1.006 399 D CB 0.820 41.647 40.800 0.045 0.000 1.073 399 D HN -0.174 nan 8.370 nan 0.000 0.513 400 V N 1.081 121.010 119.914 0.025 0.000 3.108 400 V HA 0.236 4.356 4.120 -0.000 0.000 0.287 400 V C -1.466 174.601 176.094 -0.045 0.000 1.436 400 V CA -0.747 61.542 62.300 -0.019 0.000 1.001 400 V CB 2.455 34.340 31.823 0.103 0.000 1.141 400 V HN 0.011 nan 8.190 nan 0.000 0.443 401 V N 7.013 126.854 119.914 -0.123 0.000 2.333 401 V HA 0.443 4.563 4.120 -0.000 0.000 0.274 401 V C 0.137 176.181 176.094 -0.084 0.000 1.028 401 V CA -0.429 61.842 62.300 -0.049 0.000 0.851 401 V CB 1.258 33.064 31.823 -0.028 0.000 1.000 401 V HN 0.676 nan 8.190 nan 0.000 0.456 402 L N 4.895 126.073 121.223 -0.076 0.000 2.363 402 L HA 0.337 4.677 4.340 -0.000 0.000 0.286 402 L C 0.347 176.972 176.870 -0.408 0.000 1.106 402 L CA -0.108 54.553 54.840 -0.299 0.000 0.859 402 L CB 0.551 42.451 42.059 -0.266 0.000 1.223 402 L HN 0.627 nan 8.230 nan 0.000 0.446 403 Q N 3.515 123.102 119.800 -0.356 0.000 2.441 403 Q HA 0.317 4.657 4.340 -0.000 0.000 0.234 403 Q C -1.178 174.661 176.000 -0.269 0.000 1.078 403 Q CA -0.033 55.670 55.803 -0.167 0.000 0.907 403 Q CB 0.197 28.946 28.738 0.018 0.000 1.269 403 Q HN 0.269 nan 8.270 nan 0.000 0.502 404 F N 1.692 121.665 119.950 0.039 0.000 2.411 404 F HA 0.521 5.048 4.527 -0.000 0.000 0.350 404 F C 1.216 177.001 175.800 -0.026 0.000 1.114 404 F CA -0.222 57.772 58.000 -0.010 0.000 1.135 404 F CB 1.401 40.378 39.000 -0.039 0.000 1.120 404 F HN 0.600 nan 8.300 nan 0.000 0.495 405 G N 1.617 110.488 108.800 0.118 0.000 2.756 405 G HA2 0.242 4.202 3.960 -0.000 0.000 0.203 405 G HA3 0.242 4.202 3.960 -0.000 0.000 0.203 405 G C 1.621 176.514 174.900 -0.013 0.000 2.015 405 G CA 0.247 45.377 45.100 0.050 0.000 0.835 405 G HN 0.792 nan 8.290 nan 0.000 0.648 406 G N 0.637 109.407 108.800 -0.051 0.000 2.503 406 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.221 406 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.221 406 G C 1.763 176.472 174.900 -0.319 0.000 1.131 406 G CA 1.639 46.679 45.100 -0.099 0.000 0.756 406 G HN 0.806 nan 8.290 nan 0.000 0.572 407 G N -0.091 108.375 108.800 -0.557 0.000 2.450 407 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.220 407 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.220 407 G C 1.774 176.335 174.900 -0.565 0.000 1.130 407 G CA 1.860 46.303 45.100 -1.095 0.000 0.760 407 G HN 0.450 nan 8.290 nan 0.000 0.557 408 T N 1.175 115.606 114.554 -0.205 0.000 2.904 408 T HA 0.096 4.446 4.350 -0.000 0.000 0.243 408 T C 2.366 177.084 174.700 0.030 0.000 1.024 408 T CA 0.518 62.578 62.100 -0.065 0.000 1.158 408 T CB -0.021 68.833 68.868 -0.023 0.000 0.867 408 T HN 0.060 nan 8.240 nan 0.000 0.429 409 I N 2.045 122.627 120.570 0.021 0.000 2.226 409 I HA -0.036 4.134 4.170 -0.000 0.000 0.245 409 I C 2.625 178.815 176.117 0.122 0.000 1.100 409 I CA 1.391 62.723 61.300 0.053 0.000 1.374 409 I CB -1.809 36.208 38.000 0.029 0.000 1.057 409 I HN 0.334 nan 8.210 nan 0.000 0.413 410 G N 0.128 109.027 108.800 0.165 0.000 3.124 410 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.212 410 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.212 410 G C 0.683 175.865 174.900 0.471 0.000 1.181 410 G CA -0.189 45.084 45.100 0.287 0.000 0.803 410 G HN 0.418 nan 8.290 nan 0.000 0.529 411 H N 1.129 120.409 119.070 0.351 0.000 2.886 411 H HA 0.058 4.614 4.556 -0.000 0.000 0.329 411 H C -1.294 174.113 175.328 0.132 0.000 1.044 411 H CA -1.143 55.108 56.048 0.338 0.000 1.456 411 H CB 1.701 31.591 29.762 0.212 0.000 1.464 411 H HN -0.031 nan 8.280 nan 0.000 0.573 412 P HA -0.189 nan 4.420 nan 0.000 0.218 412 P C 0.352 177.601 177.300 -0.085 0.000 1.154 412 P CA 1.723 64.668 63.100 -0.259 0.000 0.872 412 P CB 0.175 31.630 31.700 -0.409 0.000 0.790 413 Q N -0.789 119.030 119.800 0.033 0.000 2.242 413 Q HA 0.399 4.739 4.340 -0.000 0.000 0.246 413 Q C 0.585 176.696 176.000 0.185 0.000 0.883 413 Q CA -0.089 55.803 55.803 0.148 0.000 0.984 413 Q CB 0.025 28.875 28.738 0.187 0.000 1.096 413 Q HN 0.150 nan 8.270 nan 0.000 0.452 414 G N 0.175 109.078 108.800 0.172 0.000 2.756 414 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.678 414 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.678 414 G C 0.210 175.179 174.900 0.115 0.000 1.349 414 G CA -0.613 44.556 45.100 0.115 0.000 0.847 414 G HN 0.193 nan 8.290 nan 0.000 0.548 415 I N 0.054 120.653 120.570 0.048 0.000 2.179 415 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 415 I C 2.890 178.974 176.117 -0.056 0.000 1.088 415 I CA 2.402 63.705 61.300 0.005 0.000 1.357 415 I CB -0.456 37.533 38.000 -0.019 0.000 1.051 415 I HN 0.731 nan 8.210 nan 0.000 0.409 416 Q N 0.826 120.584 119.800 -0.069 0.000 2.112 416 Q HA -0.279 4.061 4.340 -0.000 0.000 0.206 416 Q C 2.313 178.232 176.000 -0.135 0.000 0.987 416 Q CA 2.152 57.889 55.803 -0.110 0.000 0.858 416 Q CB -0.167 28.504 28.738 -0.112 0.000 0.905 416 Q HN 0.590 nan 8.270 nan 0.000 0.420 417 A N 0.177 122.917 122.820 -0.133 0.000 1.877 417 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 417 A C 2.281 179.527 177.584 -0.563 0.000 1.186 417 A CA 1.560 53.440 52.037 -0.261 0.000 0.620 417 A CB -1.354 17.580 19.000 -0.110 0.000 0.822 417 A HN 0.598 nan 8.150 nan 0.000 0.443 418 G N -0.411 108.057 108.800 -0.554 0.000 2.440 418 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.218 418 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.218 418 G C 1.742 176.472 174.900 -0.284 0.000 1.154 418 G CA 1.670 46.500 45.100 -0.450 0.000 0.767 418 G HN 0.804 nan 8.290 nan 0.000 0.552 419 A N 0.462 123.162 122.820 -0.199 0.000 1.851 419 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 419 A C 2.547 180.038 177.584 -0.155 0.000 1.195 419 A CA 2.623 54.574 52.037 -0.144 0.000 0.622 419 A CB -1.193 17.738 19.000 -0.114 0.000 0.831 419 A HN 0.299 nan 8.150 nan 0.000 0.444 420 T N 0.524 114.979 114.554 -0.165 0.000 2.737 420 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 420 T C 2.143 176.744 174.700 -0.165 0.000 1.040 420 T CA 1.715 63.731 62.100 -0.139 0.000 1.142 420 T CB -0.558 68.234 68.868 -0.128 0.000 0.861 420 T HN 0.636 nan 8.240 nan 0.000 0.456 421 A N 2.458 125.142 122.820 -0.227 0.000 1.841 421 A HA -0.208 4.111 4.320 -0.000 0.000 0.216 421 A C 2.155 179.622 177.584 -0.195 0.000 1.199 421 A CA 2.105 54.015 52.037 -0.212 0.000 0.621 421 A CB -1.093 17.775 19.000 -0.220 0.000 0.835 421 A HN 0.649 nan 8.150 nan 0.000 0.445 422 N N -1.027 117.521 118.700 -0.254 0.000 2.104 422 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 422 N C 1.979 177.405 175.510 -0.139 0.000 1.024 422 N CA 1.477 54.334 53.050 -0.321 0.000 0.853 422 N CB -0.177 37.985 38.487 -0.540 0.000 1.008 422 N HN 0.455 nan 8.380 nan 0.000 0.424 423 R N 1.361 121.804 120.500 -0.094 0.000 2.082 423 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 423 R C 1.929 178.222 176.300 -0.012 0.000 1.136 423 R CA 1.286 57.367 56.100 -0.030 0.000 0.935 423 R CB -0.882 29.397 30.300 -0.034 0.000 0.842 423 R HN 0.017 nan 8.270 nan 0.000 0.430 424 V N 1.045 120.936 119.914 -0.038 0.000 2.255 424 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 424 V C 2.401 178.491 176.094 -0.007 0.000 1.051 424 V CA 2.128 64.420 62.300 -0.014 0.000 1.018 424 V CB -1.151 30.591 31.823 -0.135 0.000 0.641 424 V HN 0.595 nan 8.190 nan 0.000 0.445 425 A N -0.609 122.180 122.820 -0.052 0.000 1.958 425 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 425 A C 2.272 179.878 177.584 0.036 0.000 1.178 425 A CA 2.467 54.491 52.037 -0.021 0.000 0.642 425 A CB -0.558 18.411 19.000 -0.052 0.000 0.816 425 A HN 0.529 nan 8.150 nan 0.000 0.453 426 L N -0.945 120.304 121.223 0.044 0.000 2.007 426 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 426 L C 2.628 179.547 176.870 0.081 0.000 1.073 426 L CA 1.557 56.446 54.840 0.082 0.000 0.744 426 L CB -0.452 41.665 42.059 0.096 0.000 0.898 426 L HN 0.364 nan 8.230 nan 0.000 0.435 427 E N 0.394 120.639 120.200 0.076 0.000 2.048 427 E HA -0.329 4.021 4.350 -0.000 0.000 0.202 427 E C 2.091 178.751 176.600 0.100 0.000 1.021 427 E CA 1.657 58.110 56.400 0.087 0.000 0.825 427 E CB -0.554 29.207 29.700 0.102 0.000 0.756 427 E HN 0.666 nan 8.360 nan 0.000 0.454 428 A N 1.242 124.133 122.820 0.120 0.000 1.865 428 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 428 A C 2.246 179.889 177.584 0.098 0.000 1.191 428 A CA 2.303 54.418 52.037 0.130 0.000 0.623 428 A CB -0.599 18.494 19.000 0.155 0.000 0.826 428 A HN 0.227 nan 8.150 nan 0.000 0.444 429 M N -0.199 119.455 119.600 0.090 0.000 2.144 429 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 429 M C 1.873 178.224 176.300 0.084 0.000 1.067 429 M CA 1.721 57.075 55.300 0.089 0.000 1.095 429 M CB -0.569 32.093 32.600 0.103 0.000 1.365 429 M HN 0.157 nan 8.290 nan 0.000 0.406 430 V N -0.521 119.442 119.914 0.082 0.000 2.283 430 V HA -0.226 3.894 4.120 -0.000 0.000 0.243 430 V C 2.269 178.402 176.094 0.065 0.000 1.039 430 V CA 1.599 63.943 62.300 0.074 0.000 1.016 430 V CB -0.929 30.938 31.823 0.074 0.000 0.650 430 V HN 0.529 nan 8.190 nan 0.000 0.449 431 L N 0.913 122.176 121.223 0.067 0.000 1.990 431 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 431 L C 2.501 179.402 176.870 0.052 0.000 1.072 431 L CA 2.608 57.482 54.840 0.057 0.000 0.755 431 L CB -0.990 41.105 42.059 0.060 0.000 0.889 431 L HN 0.252 nan 8.230 nan 0.000 0.432 432 A N -0.498 122.357 122.820 0.058 0.000 1.865 432 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 432 A C 2.552 180.165 177.584 0.048 0.000 1.191 432 A CA 2.121 54.189 52.037 0.051 0.000 0.623 432 A CB -0.827 18.206 19.000 0.055 0.000 0.826 432 A HN 0.541 nan 8.150 nan 0.000 0.444 433 R N 0.071 120.604 120.500 0.056 0.000 2.105 433 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 433 R C 1.866 178.193 176.300 0.045 0.000 1.135 433 R CA 1.936 58.070 56.100 0.055 0.000 0.967 433 R CB -0.557 29.781 30.300 0.063 0.000 0.861 433 R HN 0.764 nan 8.270 nan 0.000 0.442 434 N N 0.085 118.812 118.700 0.043 0.000 2.188 434 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 434 N C 1.241 176.769 175.510 0.030 0.000 1.018 434 N CA 1.104 54.176 53.050 0.036 0.000 0.858 434 N CB -0.019 38.490 38.487 0.037 0.000 0.989 434 N HN 0.417 nan 8.380 nan 0.000 0.426 435 E N -0.207 120.011 120.200 0.030 0.000 2.338 435 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 435 E C 1.242 177.856 176.600 0.023 0.000 1.007 435 E CA 0.564 56.979 56.400 0.024 0.000 0.849 435 E CB 0.082 29.797 29.700 0.024 0.000 0.774 435 E HN 0.521 nan 8.360 nan 0.000 0.506 436 G N 1.428 110.245 108.800 0.028 0.000 2.238 436 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 436 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 436 G C 0.185 175.103 174.900 0.029 0.000 0.996 436 G CA -0.244 44.872 45.100 0.027 0.000 0.632 436 G HN 0.132 nan 8.290 nan 0.000 0.503 437 R N 1.094 121.611 120.500 0.029 0.000 2.566 437 R HA 0.186 4.526 4.340 -0.000 0.000 0.273 437 R C -0.179 176.141 176.300 0.034 0.000 0.981 437 R CA 0.302 56.419 56.100 0.027 0.000 1.091 437 R CB 0.271 30.587 30.300 0.026 0.000 0.924 437 R HN 0.195 nan 8.270 nan 0.000 0.411 438 D N 3.934 124.349 120.400 0.027 0.000 2.380 438 D HA -0.033 4.606 4.640 -0.000 0.000 0.270 438 D C 1.123 177.443 176.300 0.033 0.000 1.363 438 D CA 0.105 54.122 54.000 0.029 0.000 1.057 438 D CB 0.109 40.917 40.800 0.012 0.000 1.096 438 D HN 0.427 nan 8.370 nan 0.000 0.524 439 I N 2.948 123.556 120.570 0.062 0.000 2.121 439 I HA -0.421 3.749 4.170 -0.000 0.000 0.243 439 I C 2.323 178.495 176.117 0.092 0.000 1.047 439 I CA 1.048 62.401 61.300 0.088 0.000 1.308 439 I CB -0.408 37.671 38.000 0.131 0.000 1.015 439 I HN 0.413 nan 8.210 nan 0.000 0.410 440 L N 0.364 121.606 121.223 0.032 0.000 1.921 440 L HA -0.255 4.085 4.340 -0.000 0.000 0.219 440 L C 2.497 179.390 176.870 0.038 0.000 1.081 440 L CA 1.915 56.767 54.840 0.019 0.000 0.771 440 L CB -0.911 41.055 42.059 -0.155 0.000 0.888 440 L HN 0.278 nan 8.230 nan 0.000 0.433 441 N N 0.033 118.724 118.700 -0.015 0.000 2.069 441 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 441 N C 1.675 177.156 175.510 -0.048 0.000 1.031 441 N CA 1.435 54.470 53.050 -0.026 0.000 0.852 441 N CB -0.309 38.165 38.487 -0.022 0.000 1.018 441 N HN 0.395 nan 8.380 nan 0.000 0.423 442 E N -0.149 120.027 120.200 -0.041 0.000 2.427 442 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 442 E C 1.907 178.444 176.600 -0.105 0.000 1.028 442 E CA 0.294 56.663 56.400 -0.052 0.000 0.864 442 E CB -0.161 29.527 29.700 -0.020 0.000 0.813 442 E HN 0.408 nan 8.360 nan 0.000 0.514 443 G N 2.949 111.647 108.800 -0.169 0.000 2.681 443 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 443 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 443 G C -0.834 173.808 174.900 -0.430 0.000 1.210 443 G CA 0.980 45.854 45.100 -0.376 0.000 0.783 443 G HN 0.250 nan 8.290 nan 0.000 0.609 444 P HA -0.098 nan 4.420 nan 0.000 0.216 444 P C 1.625 178.847 177.300 -0.130 0.000 1.154 444 P CA 1.745 64.693 63.100 -0.254 0.000 0.865 444 P CB -0.015 31.583 31.700 -0.169 0.000 0.789 445 E N -0.735 119.404 120.200 -0.102 0.000 2.031 445 E HA -0.135 4.214 4.350 -0.000 0.000 0.193 445 E C 2.012 178.594 176.600 -0.031 0.000 0.994 445 E CA 0.996 57.366 56.400 -0.050 0.000 0.800 445 E CB -1.114 28.566 29.700 -0.034 0.000 0.752 445 E HN 0.236 nan 8.360 nan 0.000 0.447 446 I N 0.470 121.019 120.570 -0.036 0.000 2.194 446 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 446 I C 2.174 178.295 176.117 0.005 0.000 1.093 446 I CA 1.085 62.386 61.300 0.002 0.000 1.355 446 I CB -0.372 37.631 38.000 0.005 0.000 1.046 446 I HN 0.095 nan 8.210 nan 0.000 0.413 447 L N 0.179 121.384 121.223 -0.031 0.000 2.046 447 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 447 L C 2.794 179.640 176.870 -0.040 0.000 1.077 447 L CA 1.319 56.141 54.840 -0.030 0.000 0.747 447 L CB -0.613 41.427 42.059 -0.031 0.000 0.896 447 L HN 0.246 nan 8.230 nan 0.000 0.432 448 R N 0.362 120.843 120.500 -0.033 0.000 2.081 448 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 448 R C 1.836 178.130 176.300 -0.011 0.000 1.131 448 R CA 1.853 57.937 56.100 -0.027 0.000 0.960 448 R CB -0.129 30.160 30.300 -0.019 0.000 0.856 448 R HN 0.308 nan 8.270 nan 0.000 0.436 449 D N 0.453 120.868 120.400 0.026 0.000 2.117 449 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 449 D C 1.732 178.120 176.300 0.148 0.000 0.987 449 D CA 1.615 55.673 54.000 0.097 0.000 0.829 449 D CB -0.301 40.566 40.800 0.113 0.000 0.961 449 D HN 0.430 nan 8.370 nan 0.000 0.460 450 A N 1.089 123.938 122.820 0.049 0.000 1.872 450 A HA 0.068 4.388 4.320 -0.000 0.000 0.214 450 A C 2.328 179.507 177.584 -0.675 0.000 1.187 450 A CA 1.955 53.886 52.037 -0.176 0.000 0.614 450 A CB -0.787 18.152 19.000 -0.102 0.000 0.826 450 A HN 0.217 nan 8.150 nan 0.000 0.442 451 A N -0.200 122.417 122.820 -0.339 0.000 1.978 451 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 451 A C 2.189 179.621 177.584 -0.254 0.000 1.170 451 A CA 1.841 53.701 52.037 -0.294 0.000 0.636 451 A CB -0.555 18.361 19.000 -0.141 0.000 0.810 451 A HN 0.573 nan 8.150 nan 0.000 0.448 452 R N -0.448 119.962 120.500 -0.151 0.000 2.096 452 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 452 R C 1.998 178.320 176.300 0.037 0.000 1.139 452 R CA 2.275 58.367 56.100 -0.013 0.000 0.952 452 R CB -0.352 30.005 30.300 0.094 0.000 0.854 452 R HN 0.921 nan 8.270 nan 0.000 0.436 453 W N -2.034 119.268 121.300 0.003 0.000 3.107 453 W HA 0.258 4.918 4.660 -0.000 0.000 0.293 453 W C -0.077 176.444 176.519 0.003 0.000 1.239 453 W CA -0.687 56.660 57.345 0.003 0.000 1.653 453 W CB -0.758 28.703 29.460 0.001 0.000 1.068 453 W HN 0.012 nan 8.180 nan 0.000 0.615 454 C N 4.112 123.030 119.300 -0.636 0.000 2.170 454 C HA 0.573 5.033 4.460 -0.000 0.000 0.339 454 C C 2.206 177.038 174.990 -0.264 0.000 1.056 454 C CA 0.395 59.075 59.018 -0.563 0.000 1.535 454 C CB -0.894 26.261 27.740 -0.975 0.000 1.785 454 C HN 0.487 nan 8.230 nan 0.000 0.440 455 G N 5.945 114.676 108.800 -0.114 0.000 2.599 455 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 455 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 455 G C -0.589 174.292 174.900 -0.031 0.000 1.193 455 G CA 1.456 46.525 45.100 -0.052 0.000 0.778 455 G HN 0.577 nan 8.290 nan 0.000 0.589 456 P HA -0.086 nan 4.420 nan 0.000 0.216 456 P C 2.016 179.349 177.300 0.054 0.000 1.150 456 P CA 0.727 63.848 63.100 0.035 0.000 0.843 456 P CB -0.110 31.521 31.700 -0.116 0.000 0.787 457 L N -0.163 121.010 121.223 -0.084 0.000 2.056 457 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 457 L C 2.476 179.331 176.870 -0.026 0.000 1.078 457 L CA 1.769 56.560 54.840 -0.082 0.000 0.749 457 L CB -1.125 40.809 42.059 -0.207 0.000 0.901 457 L HN -0.213 nan 8.230 nan 0.000 0.433 458 R N -0.202 120.260 120.500 -0.063 0.000 2.094 458 R HA -0.229 4.111 4.340 -0.000 0.000 0.239 458 R C 2.081 178.369 176.300 -0.020 0.000 1.137 458 R CA 1.959 58.031 56.100 -0.048 0.000 0.943 458 R CB -0.603 29.662 30.300 -0.058 0.000 0.850 458 R HN 0.493 nan 8.270 nan 0.000 0.433 459 A N 0.495 123.317 122.820 0.004 0.000 1.972 459 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 459 A C 2.342 179.895 177.584 -0.051 0.000 1.169 459 A CA 1.671 53.677 52.037 -0.052 0.000 0.635 459 A CB -0.618 18.337 19.000 -0.076 0.000 0.810 459 A HN 0.610 nan 8.150 nan 0.000 0.446 460 A N -0.304 122.615 122.820 0.165 0.000 1.898 460 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 460 A C 2.145 179.843 177.584 0.190 0.000 1.181 460 A CA 1.413 53.630 52.037 0.299 0.000 0.620 460 A CB -0.517 18.692 19.000 0.347 0.000 0.819 460 A HN 0.461 nan 8.150 nan 0.000 0.442 461 L N -0.506 120.777 121.223 0.100 0.000 2.109 461 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 461 L C 1.930 178.797 176.870 -0.005 0.000 1.086 461 L CA 1.152 56.039 54.840 0.079 0.000 0.760 461 L CB -0.565 41.522 42.059 0.047 0.000 0.910 461 L HN 0.303 nan 8.230 nan 0.000 0.437 462 D N -0.487 119.873 120.400 -0.067 0.000 2.144 462 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 462 D C 2.178 178.353 176.300 -0.209 0.000 0.984 462 D CA 1.995 55.924 54.000 -0.118 0.000 0.834 462 D CB -0.188 40.535 40.800 -0.127 0.000 0.955 462 D HN 0.427 nan 8.370 nan 0.000 0.465 463 T N -2.629 111.718 114.554 -0.346 0.000 2.781 463 T HA -0.085 4.265 4.350 -0.000 0.000 0.252 463 T C 1.009 175.326 174.700 -0.638 0.000 1.039 463 T CA 0.376 62.079 62.100 -0.662 0.000 1.147 463 T CB -0.182 67.946 68.868 -1.234 0.000 0.865 463 T HN 0.116 nan 8.240 nan 0.000 0.423 464 W N 3.098 124.306 121.300 -0.154 0.000 2.101 464 W HA 0.664 5.324 4.660 -0.000 0.000 0.301 464 W C 0.808 177.178 176.519 -0.249 0.000 0.846 464 W CA -1.682 55.463 57.345 -0.333 0.000 1.823 464 W CB -0.162 28.968 29.460 -0.550 0.000 2.007 464 W HN 0.433 nan 8.180 nan 0.000 0.373 465 G N 1.229 110.052 108.800 0.037 0.000 2.803 465 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.177 465 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.177 465 G C 0.108 175.146 174.900 0.230 0.000 1.629 465 G CA -0.334 44.840 45.100 0.123 0.000 1.077 465 G HN 0.073 nan 8.290 nan 0.000 0.556 466 D N -0.123 120.375 120.400 0.162 0.000 2.372 466 D HA 0.412 5.052 4.640 -0.000 0.000 0.243 466 D C 0.012 176.409 176.300 0.161 0.000 1.121 466 D CA 0.722 54.825 54.000 0.172 0.000 0.898 466 D CB 2.085 42.949 40.800 0.107 0.000 1.202 466 D HN 0.234 nan 8.370 nan 0.000 0.428 467 I N 0.000 120.670 120.570 0.167 0.000 2.984 467 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 467 I CA 0.000 61.384 61.300 0.140 0.000 1.566 467 I CB 0.000 38.116 38.000 0.194 0.000 1.214 467 I HN 0.000 nan 8.210 nan 0.000 0.494