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 1rsc_1_H DATA FIRST_RESID 9 DATA SEQUENCE SAAGYKAGVK DYKLTYYTPD YTPKDTDLLA AFRFSPQPGV PADEAGAAIA DATA SEQUENCE AESSTGTWTT VWTDLLTDMD RYKGKCYHIE PVQGEENSYF AFIAYPLDLF DATA SEQUENCE EEGSVTNILT SIVGNVFGFK AIRSLRLEDI RFPVALVKTF QGPPHGIQVE DATA SEQUENCE RDLLNKYGRP MLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENINS DATA SEQUENCE QPFQRWRDRF LFVADAIHKS QAETGEIKGH YLNVTAPTCE EMMKRAEFAK DATA SEQUENCE ELGMPIIMHD FLTAGFTANT TLAKWCRDNG VLLHIHRAMH AVIDRQRNHG DATA SEQUENCE IHFRVLAKCL RLSGGDHLHS GTVVGKLEGD KASTLGFVDL MREDHIEADR DATA SEQUENCE SRGVFFTQDW ASMPGVLPVA SGGIHVWHMP ALVEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAT ANRVALEACV QARNEGRDLY REGGDILREA GKWSPELAAA DATA SEQUENCE LDLWKEIKFE FETMDKL 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.606 174.600 0.010 0.000 1.055 9 S CA 0.000 58.203 58.200 0.006 0.000 1.107 9 S CB 0.000 63.206 63.200 0.010 0.000 0.593 10 A N 0.906 123.737 122.820 0.018 0.000 2.279 10 A HA 0.760 5.079 4.320 -0.001 0.000 0.306 10 A C 0.014 177.621 177.584 0.039 0.000 1.300 10 A CA -0.099 51.954 52.037 0.026 0.000 0.925 10 A CB -0.331 18.686 19.000 0.029 0.000 1.152 10 A HN 1.317 nan 8.150 nan 0.000 0.544 11 A N 2.563 125.407 122.820 0.040 0.000 2.357 11 A HA 0.790 5.109 4.320 -0.001 0.000 0.295 11 A C 0.305 177.924 177.584 0.059 0.000 1.121 11 A CA 0.004 52.068 52.037 0.045 0.000 0.742 11 A CB 0.431 19.449 19.000 0.030 0.000 1.181 11 A HN 2.688 nan 8.150 nan 0.000 0.454 12 G N 1.106 109.957 108.800 0.084 0.000 3.238 12 G HA2 0.109 4.068 3.960 -0.001 0.000 0.684 12 G HA3 0.109 4.068 3.960 -0.001 0.000 0.684 12 G C -0.796 174.201 174.900 0.162 0.000 1.156 12 G CA -0.413 44.744 45.100 0.095 0.000 1.048 12 G HN 1.841 nan 8.290 nan 0.000 0.462 13 Y N 4.196 124.522 120.300 0.043 0.000 2.436 13 Y HA 0.602 5.151 4.550 -0.001 0.000 0.343 13 Y C 0.354 176.273 175.900 0.032 0.000 1.008 13 Y CA -1.298 56.837 58.100 0.059 0.000 1.241 13 Y CB 1.067 39.588 38.460 0.102 0.000 1.153 13 Y HN 0.534 nan 8.280 nan 0.000 0.521 14 K N 6.664 126.957 120.400 -0.178 0.000 2.507 14 K HA 0.670 4.989 4.320 -0.001 0.000 0.253 14 K C -1.228 175.110 176.600 -0.437 0.000 0.969 14 K CA -0.418 55.673 56.287 -0.328 0.000 0.908 14 K CB 0.843 33.269 32.500 -0.123 0.000 1.127 14 K HN 0.785 nan 8.250 nan 0.000 0.437 15 A N 2.505 124.916 122.820 -0.681 0.000 2.425 15 A HA 0.602 4.921 4.320 -0.001 0.000 0.242 15 A C 0.543 178.017 177.584 -0.184 0.000 1.077 15 A CA 0.820 52.612 52.037 -0.409 0.000 0.781 15 A CB -0.131 18.661 19.000 -0.346 0.000 1.020 15 A HN 1.203 nan 8.150 nan 0.000 0.494 16 G N -0.990 107.737 108.800 -0.120 0.000 2.392 16 G HA2 0.298 4.257 3.960 -0.001 0.000 0.677 16 G HA3 0.298 4.257 3.960 -0.001 0.000 0.677 16 G C -0.830 174.005 174.900 -0.108 0.000 1.334 16 G CA -0.496 44.544 45.100 -0.099 0.000 0.961 16 G HN 1.465 nan 8.290 nan 0.000 0.616 17 V N 1.887 121.755 119.914 -0.076 0.000 2.470 17 V HA 0.360 4.479 4.120 -0.001 0.000 0.276 17 V C 0.829 176.884 176.094 -0.065 0.000 1.040 17 V CA 0.255 62.513 62.300 -0.069 0.000 1.008 17 V CB 0.711 32.553 31.823 0.031 0.000 0.990 17 V HN 0.721 nan 8.190 nan 0.000 0.477 18 K N 2.743 123.087 120.400 -0.093 0.000 2.280 18 K HA 0.508 4.827 4.320 -0.001 0.000 0.234 18 K C -0.985 175.542 176.600 -0.121 0.000 1.028 18 K CA -1.128 55.115 56.287 -0.073 0.000 0.882 18 K CB 1.076 33.550 32.500 -0.042 0.000 1.194 18 K HN 0.439 nan 8.250 nan 0.000 0.458 19 D N 0.639 121.003 120.400 -0.060 0.000 2.389 19 D HA 0.021 4.660 4.640 -0.001 0.000 0.247 19 D C 0.799 177.109 176.300 0.017 0.000 1.128 19 D CA 0.263 54.240 54.000 -0.038 0.000 0.884 19 D CB 0.396 41.212 40.800 0.027 0.000 1.194 19 D HN 0.400 nan 8.370 nan 0.000 0.441 20 Y N 1.506 121.869 120.300 0.104 0.000 2.224 20 Y HA -0.207 4.342 4.550 -0.001 0.000 0.289 20 Y C 2.304 178.319 175.900 0.191 0.000 1.146 20 Y CA 1.127 59.323 58.100 0.161 0.000 1.182 20 Y CB -0.299 38.195 38.460 0.056 0.000 0.983 20 Y HN 0.459 nan 8.280 nan 0.000 0.524 21 K N 0.248 120.809 120.400 0.269 0.000 2.442 21 K HA -0.096 4.223 4.320 -0.001 0.000 0.198 21 K C 1.578 178.302 176.600 0.207 0.000 1.042 21 K CA 1.241 57.669 56.287 0.234 0.000 0.958 21 K CB -0.558 32.021 32.500 0.131 0.000 0.766 21 K HN 0.352 nan 8.250 nan 0.000 0.474 22 L N 1.096 122.408 121.223 0.147 0.000 2.093 22 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 22 L C 1.890 178.778 176.870 0.030 0.000 1.085 22 L CA 1.429 56.318 54.840 0.081 0.000 0.755 22 L CB -0.377 41.712 42.059 0.051 0.000 0.904 22 L HN 0.288 nan 8.230 nan 0.000 0.435 23 T N -2.692 111.870 114.554 0.013 0.000 3.042 23 T HA 0.016 4.365 4.350 -0.001 0.000 0.245 23 T C 1.276 175.753 174.700 -0.372 0.000 1.029 23 T CA 0.510 62.473 62.100 -0.228 0.000 1.120 23 T CB 0.088 68.723 68.868 -0.388 0.000 0.917 23 T HN 0.140 nan 8.240 nan 0.000 0.467 24 Y N -0.625 119.721 120.300 0.077 0.000 2.462 24 Y HA 0.373 4.923 4.550 -0.001 0.000 0.253 24 Y C 0.333 176.282 175.900 0.082 0.000 1.095 24 Y CA -1.089 57.036 58.100 0.042 0.000 1.283 24 Y CB 0.338 38.810 38.460 0.019 0.000 1.138 24 Y HN 0.143 nan 8.280 nan 0.000 0.522 25 Y N 2.561 122.916 120.300 0.092 0.000 2.452 25 Y HA 0.340 4.890 4.550 -0.001 0.000 0.348 25 Y C 0.156 176.087 175.900 0.051 0.000 0.985 25 Y CA -1.067 57.068 58.100 0.059 0.000 1.214 25 Y CB 0.408 38.897 38.460 0.048 0.000 1.136 25 Y HN 0.025 nan 8.280 nan 0.000 0.523 26 T N 6.024 120.424 114.554 -0.256 0.000 3.317 26 T HA 0.279 4.628 4.350 -0.001 0.000 0.361 26 T C -2.325 172.263 174.700 -0.187 0.000 1.499 26 T CA -1.764 60.206 62.100 -0.215 0.000 1.529 26 T CB 1.099 69.935 68.868 -0.052 0.000 0.997 26 T HN 0.474 nan 8.240 nan 0.000 0.624 27 P HA 0.077 nan 4.420 nan 0.000 0.234 27 P C 0.348 177.653 177.300 0.007 0.000 1.167 27 P CA 0.547 63.523 63.100 -0.206 0.000 0.763 27 P CB 0.277 31.785 31.700 -0.321 0.000 0.835 28 D N -1.789 118.611 120.400 0.001 0.000 2.339 28 D HA -0.004 4.636 4.640 -0.001 0.000 0.217 28 D C 0.269 176.608 176.300 0.063 0.000 1.050 28 D CA -0.150 53.869 54.000 0.032 0.000 0.856 28 D CB -0.385 40.418 40.800 0.005 0.000 0.922 28 D HN 0.149 nan 8.370 nan 0.000 0.518 29 Y N 1.530 121.836 120.300 0.010 0.000 2.442 29 Y HA 0.120 4.669 4.550 -0.001 0.000 0.330 29 Y C 0.006 175.870 175.900 -0.061 0.000 1.129 29 Y CA 0.162 58.250 58.100 -0.019 0.000 1.365 29 Y CB 0.649 39.110 38.460 0.001 0.000 1.233 29 Y HN -0.338 nan 8.280 nan 0.000 0.529 30 T N 9.438 123.461 114.554 -0.885 0.000 2.772 30 T HA 0.311 4.660 4.350 -0.001 0.000 0.288 30 T C -2.635 171.417 174.700 -1.079 0.000 0.994 30 T CA -1.451 60.213 62.100 -0.728 0.000 0.951 30 T CB 1.003 69.632 68.868 -0.397 0.000 0.933 30 T HN 0.434 nan 8.240 nan 0.000 0.447 31 P HA 0.180 nan 4.420 nan 0.000 0.264 31 P C -0.122 177.013 177.300 -0.276 0.000 1.193 31 P CA -0.267 62.559 63.100 -0.457 0.000 0.763 31 P CB 0.538 32.014 31.700 -0.374 0.000 0.810 32 K N 1.883 122.208 120.400 -0.125 0.000 2.138 32 K HA 0.086 4.405 4.320 -0.001 0.000 0.251 32 K C 0.977 177.548 176.600 -0.048 0.000 1.015 32 K CA -0.184 56.060 56.287 -0.071 0.000 0.917 32 K CB 0.248 32.744 32.500 -0.006 0.000 1.021 32 K HN 0.347 nan 8.250 nan 0.000 0.485 33 D N 0.338 120.714 120.400 -0.040 0.000 2.348 33 D HA -0.094 4.546 4.640 -0.001 0.000 0.216 33 D C 1.195 177.487 176.300 -0.013 0.000 0.970 33 D CA 1.167 55.149 54.000 -0.030 0.000 0.889 33 D CB 0.027 40.813 40.800 -0.024 0.000 0.912 33 D HN 0.673 nan 8.370 nan 0.000 0.524 34 T N -2.718 111.840 114.554 0.007 0.000 3.086 34 T HA 0.050 4.399 4.350 -0.001 0.000 0.250 34 T C 0.503 175.239 174.700 0.060 0.000 1.074 34 T CA -0.508 61.612 62.100 0.034 0.000 0.988 34 T CB 0.398 69.292 68.868 0.044 0.000 0.988 34 T HN -0.243 nan 8.240 nan 0.000 0.530 35 D N 1.733 122.163 120.400 0.049 0.000 2.382 35 D HA 0.274 4.913 4.640 -0.001 0.000 0.245 35 D C -0.316 176.004 176.300 0.034 0.000 1.120 35 D CA -0.399 53.651 54.000 0.084 0.000 0.890 35 D CB 1.178 42.025 40.800 0.079 0.000 1.201 35 D HN 0.290 nan 8.370 nan 0.000 0.433 36 L N 2.950 124.231 121.223 0.096 0.000 2.281 36 L HA 0.305 4.644 4.340 -0.001 0.000 0.285 36 L C -0.912 175.964 176.870 0.011 0.000 1.074 36 L CA -0.437 54.366 54.840 -0.061 0.000 0.817 36 L CB 0.235 42.180 42.059 -0.191 0.000 1.168 36 L HN 0.183 nan 8.230 nan 0.000 0.434 37 L N 5.693 126.770 121.223 -0.244 0.000 2.317 37 L HA 0.798 5.137 4.340 -0.001 0.000 0.281 37 L C -0.131 176.546 176.870 -0.321 0.000 1.024 37 L CA -0.575 54.111 54.840 -0.255 0.000 0.810 37 L CB 1.607 43.270 42.059 -0.659 0.000 1.240 37 L HN 0.700 nan 8.230 nan 0.000 0.427 38 A N 2.248 125.115 122.820 0.080 0.000 2.365 38 A HA 0.884 5.203 4.320 -0.001 0.000 0.318 38 A C -0.668 177.023 177.584 0.177 0.000 1.091 38 A CA -0.550 51.516 52.037 0.048 0.000 0.763 38 A CB 1.719 20.753 19.000 0.057 0.000 1.248 38 A HN 0.754 nan 8.150 nan 0.000 0.442 39 A N 1.720 124.509 122.820 -0.051 0.000 2.273 39 A HA 0.747 5.066 4.320 -0.001 0.000 0.315 39 A C -1.081 176.214 177.584 -0.482 0.000 1.256 39 A CA -0.283 51.494 52.037 -0.434 0.000 0.851 39 A CB -0.054 18.410 19.000 -0.894 0.000 1.172 39 A HN 0.629 nan 8.150 nan 0.000 0.508 40 F N 1.273 121.109 119.950 -0.189 0.000 2.450 40 F HA 0.564 5.090 4.527 -0.001 0.000 0.332 40 F C 0.815 176.723 175.800 0.180 0.000 1.093 40 F CA -0.404 57.581 58.000 -0.025 0.000 1.003 40 F CB 1.815 40.792 39.000 -0.039 0.000 1.151 40 F HN 0.578 nan 8.300 nan 0.000 0.474 41 R N 4.492 125.212 120.500 0.366 0.000 2.265 41 R HA 0.524 4.863 4.340 -0.001 0.000 0.328 41 R C -1.712 174.717 176.300 0.215 0.000 0.969 41 R CA -0.394 55.844 56.100 0.229 0.000 0.832 41 R CB 0.612 31.014 30.300 0.170 0.000 1.139 41 R HN 0.656 nan 8.270 nan 0.000 0.457 42 F N 0.036 119.989 119.950 0.005 0.000 2.613 42 F HA 0.601 5.127 4.527 -0.001 0.000 0.314 42 F C -1.291 174.540 175.800 0.053 0.000 1.075 42 F CA -1.000 57.001 58.000 0.002 0.000 0.945 42 F CB 1.999 40.965 39.000 -0.056 0.000 1.310 42 F HN 0.131 nan 8.300 nan 0.000 0.467 43 S N 3.109 118.898 115.700 0.147 0.000 2.596 43 S HA 0.579 5.049 4.470 -0.001 0.000 0.318 43 S C -2.815 171.925 174.600 0.233 0.000 1.097 43 S CA -1.298 56.963 58.200 0.101 0.000 1.080 43 S CB 1.565 64.793 63.200 0.046 0.000 0.991 43 S HN 0.453 nan 8.310 nan 0.000 0.471 44 P HA 0.161 nan 4.420 nan 0.000 0.275 44 P C -0.475 176.900 177.300 0.124 0.000 1.228 44 P CA -0.610 62.617 63.100 0.211 0.000 0.786 44 P CB 0.432 32.242 31.700 0.183 0.000 0.927 45 Q N 2.022 121.880 119.800 0.097 0.000 2.428 45 Q HA 0.093 4.432 4.340 -0.001 0.000 0.276 45 Q C -1.966 174.068 176.000 0.055 0.000 1.059 45 Q CA -1.101 54.742 55.803 0.065 0.000 0.923 45 Q CB -0.820 27.950 28.738 0.053 0.000 1.283 45 Q HN 0.343 nan 8.270 nan 0.000 0.447 46 P HA -0.050 nan 4.420 nan 0.000 0.260 46 P C 0.481 177.798 177.300 0.029 0.000 1.185 46 P CA 1.213 64.333 63.100 0.034 0.000 0.763 46 P CB 0.151 31.865 31.700 0.024 0.000 0.776 47 G N 1.650 110.467 108.800 0.027 0.000 2.176 47 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.253 47 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.253 47 G C -0.037 174.877 174.900 0.023 0.000 0.979 47 G CA -0.176 44.937 45.100 0.021 0.000 0.641 47 G HN 0.516 nan 8.290 nan 0.000 0.530 48 V N 3.285 123.217 119.914 0.030 0.000 2.333 48 V HA 0.473 4.593 4.120 -0.001 0.000 0.274 48 V C -1.304 174.793 176.094 0.005 0.000 1.028 48 V CA -1.548 60.770 62.300 0.029 0.000 0.851 48 V CB 1.410 33.264 31.823 0.051 0.000 1.000 48 V HN 0.245 nan 8.190 nan 0.000 0.456 49 P HA 0.178 nan 4.420 nan 0.000 0.271 49 P C 0.722 177.942 177.300 -0.134 0.000 1.218 49 P CA -0.136 62.919 63.100 -0.076 0.000 0.780 49 P CB 1.385 33.042 31.700 -0.071 0.000 0.901 50 A N 3.570 126.236 122.820 -0.257 0.000 1.917 50 A HA -0.251 4.068 4.320 -0.001 0.000 0.219 50 A C 1.663 179.099 177.584 -0.247 0.000 1.182 50 A CA 2.368 54.191 52.037 -0.356 0.000 0.633 50 A CB -1.381 17.058 19.000 -0.934 0.000 0.819 50 A HN 0.649 nan 8.150 nan 0.000 0.448 51 D N -0.529 119.654 120.400 -0.363 0.000 2.224 51 D HA -0.133 4.507 4.640 -0.001 0.000 0.205 51 D C 1.618 177.668 176.300 -0.416 0.000 0.965 51 D CA 1.397 55.034 54.000 -0.606 0.000 0.852 51 D CB -0.501 39.724 40.800 -0.960 0.000 0.947 51 D HN 0.513 nan 8.370 nan 0.000 0.494 52 E N 0.759 120.822 120.200 -0.227 0.000 2.158 52 E HA 0.060 4.409 4.350 -0.001 0.000 0.191 52 E C 1.975 178.502 176.600 -0.121 0.000 0.982 52 E CA 1.239 57.587 56.400 -0.088 0.000 0.823 52 E CB -0.432 29.261 29.700 -0.011 0.000 0.766 52 E HN 0.259 nan 8.360 nan 0.000 0.468 53 A N 0.235 122.937 122.820 -0.196 0.000 1.898 53 A HA 0.026 4.345 4.320 -0.001 0.000 0.216 53 A C 2.447 179.654 177.584 -0.627 0.000 1.181 53 A CA 1.561 53.397 52.037 -0.335 0.000 0.620 53 A CB -1.271 17.594 19.000 -0.225 0.000 0.819 53 A HN 0.400 nan 8.150 nan 0.000 0.442 54 G N -0.559 107.877 108.800 -0.607 0.000 2.422 54 G HA2 0.035 3.994 3.960 -0.001 0.000 0.218 54 G HA3 0.035 3.994 3.960 -0.001 0.000 0.218 54 G C 1.676 176.348 174.900 -0.381 0.000 1.146 54 G CA 1.338 46.096 45.100 -0.569 0.000 0.769 54 G HN 0.777 nan 8.290 nan 0.000 0.547 55 A N 0.959 123.634 122.820 -0.242 0.000 1.968 55 A HA 0.416 4.736 4.320 -0.001 0.000 0.217 55 A C 2.753 180.112 177.584 -0.375 0.000 1.169 55 A CA 1.837 53.812 52.037 -0.103 0.000 0.638 55 A CB -0.563 18.509 19.000 0.119 0.000 0.812 55 A HN 0.675 nan 8.150 nan 0.000 0.446 56 A N 0.119 122.597 122.820 -0.568 0.000 1.933 56 A HA -0.071 4.248 4.320 -0.001 0.000 0.218 56 A C 2.078 179.010 177.584 -1.087 0.000 1.175 56 A CA 1.498 52.842 52.037 -1.155 0.000 0.628 56 A CB -0.553 17.966 19.000 -0.802 0.000 0.814 56 A HN 0.490 nan 8.150 nan 0.000 0.444 57 I N -0.308 119.756 120.570 -0.843 0.000 2.202 57 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 57 I C 2.969 178.739 176.117 -0.580 0.000 1.091 57 I CA 1.087 61.908 61.300 -0.799 0.000 1.368 57 I CB -0.333 37.119 38.000 -0.914 0.000 1.058 57 I HN 0.334 nan 8.210 nan 0.000 0.410 58 A N 0.627 123.171 122.820 -0.461 0.000 1.933 58 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 58 A C 2.482 179.819 177.584 -0.411 0.000 1.175 58 A CA 1.922 53.780 52.037 -0.299 0.000 0.628 58 A CB -0.778 18.126 19.000 -0.160 0.000 0.814 58 A HN 0.449 nan 8.150 nan 0.000 0.444 59 A N -0.295 122.048 122.820 -0.795 0.000 1.840 59 A HA -0.080 4.240 4.320 -0.001 0.000 0.214 59 A C 1.950 179.146 177.584 -0.646 0.000 1.198 59 A CA 1.875 53.149 52.037 -1.271 0.000 0.608 59 A CB -0.488 17.675 19.000 -1.395 0.000 0.839 59 A HN 0.469 nan 8.150 nan 0.000 0.443 60 E N 0.557 120.406 120.200 -0.586 0.000 2.478 60 E HA -0.066 4.283 4.350 -0.001 0.000 0.198 60 E C 1.651 178.141 176.600 -0.184 0.000 1.046 60 E CA 1.188 57.390 56.400 -0.331 0.000 0.870 60 E CB -0.216 29.226 29.700 -0.429 0.000 0.818 60 E HN 0.625 nan 8.360 nan 0.000 0.527 61 S N -1.810 113.794 115.700 -0.159 0.000 2.540 61 S HA 0.139 4.609 4.470 -0.001 0.000 0.218 61 S C 1.343 176.019 174.600 0.126 0.000 0.977 61 S CA 0.279 58.490 58.200 0.019 0.000 0.918 61 S CB 0.252 63.519 63.200 0.112 0.000 0.806 61 S HN 0.224 nan 8.310 nan 0.000 0.496 62 S N 1.768 117.506 115.700 0.063 0.000 3.600 62 S HA 0.192 4.662 4.470 -0.001 0.000 0.179 62 S C 1.469 176.087 174.600 0.030 0.000 0.816 62 S CA 0.612 58.876 58.200 0.106 0.000 0.916 62 S CB -0.305 63.009 63.200 0.190 0.000 1.164 62 S HN 0.507 nan 8.310 nan 0.000 0.709 63 T N -1.105 113.477 114.554 0.047 0.000 2.969 63 T HA 0.452 4.801 4.350 -0.001 0.000 0.258 63 T C 0.861 175.599 174.700 0.062 0.000 0.962 63 T CA 0.329 62.469 62.100 0.067 0.000 0.903 63 T CB -0.075 68.887 68.868 0.157 0.000 1.177 63 T HN 0.675 nan 8.240 nan 0.000 0.511 64 G N 0.464 109.261 108.800 -0.006 0.000 2.451 64 G HA2 0.543 4.502 3.960 -0.001 0.000 0.303 64 G HA3 0.543 4.502 3.960 -0.001 0.000 0.303 64 G C -0.713 174.220 174.900 0.055 0.000 1.166 64 G CA -0.183 44.938 45.100 0.035 0.000 0.884 64 G HN 0.268 nan 8.290 nan 0.000 0.514 65 T N -0.772 113.858 114.554 0.127 0.000 2.676 65 T HA 0.441 4.791 4.350 -0.001 0.000 0.269 65 T C 0.761 175.606 174.700 0.242 0.000 0.952 65 T CA -0.424 61.794 62.100 0.196 0.000 1.040 65 T CB 0.776 69.709 68.868 0.108 0.000 1.352 65 T HN 0.674 nan 8.240 nan 0.000 0.554 66 W N 1.190 122.591 121.300 0.167 0.000 2.658 66 W HA 0.225 4.885 4.660 -0.001 0.000 0.263 66 W C 0.144 176.660 176.519 -0.005 0.000 1.274 66 W CA 0.606 58.015 57.345 0.106 0.000 1.343 66 W CB -1.490 28.038 29.460 0.113 0.000 1.106 66 W HN 0.628 nan 8.180 nan 0.000 0.615 67 T N -0.449 113.552 114.554 -0.923 0.000 2.927 67 T HA 0.407 4.757 4.350 -0.001 0.000 0.286 67 T C -0.216 174.283 174.700 -0.335 0.000 1.040 67 T CA -0.550 61.144 62.100 -0.678 0.000 1.010 67 T CB 1.896 70.183 68.868 -0.968 0.000 1.177 67 T HN -0.218 nan 8.240 nan 0.000 0.546 68 T N 2.090 116.538 114.554 -0.176 0.000 2.814 68 T HA 0.505 4.854 4.350 -0.001 0.000 0.297 68 T C 0.297 175.050 174.700 0.088 0.000 0.956 68 T CA -0.621 61.475 62.100 -0.007 0.000 1.123 68 T CB 0.261 69.168 68.868 0.064 0.000 0.902 68 T HN 0.755 nan 8.240 nan 0.000 0.528 69 V N 2.658 122.592 119.914 0.032 0.000 2.581 69 V HA 0.491 4.611 4.120 -0.001 0.000 0.303 69 V C 1.119 177.081 176.094 -0.220 0.000 1.041 69 V CA -1.179 61.075 62.300 -0.076 0.000 0.907 69 V CB 1.395 33.091 31.823 -0.212 0.000 0.994 69 V HN 1.038 nan 8.190 nan 0.000 0.442 70 W N 2.399 123.323 121.300 -0.626 0.000 2.465 70 W HA -0.076 4.583 4.660 -0.001 0.000 0.268 70 W C 1.395 177.705 176.519 -0.348 0.000 1.242 70 W CA 1.349 58.183 57.345 -0.852 0.000 1.248 70 W CB -1.712 26.965 29.460 -1.305 0.000 1.118 70 W HN 0.755 nan 8.180 nan 0.000 0.587 71 T N -0.914 112.950 114.554 -1.150 0.000 2.962 71 T HA -0.209 4.140 4.350 -0.001 0.000 0.270 71 T C 1.115 175.550 174.700 -0.441 0.000 1.088 71 T CA 1.593 63.064 62.100 -1.047 0.000 1.127 71 T CB -0.610 67.644 68.868 -1.023 0.000 0.883 71 T HN -0.111 nan 8.240 nan 0.000 0.493 72 D N 1.816 122.044 120.400 -0.288 0.000 2.158 72 D HA -0.054 4.586 4.640 -0.001 0.000 0.197 72 D C 1.772 178.031 176.300 -0.069 0.000 0.995 72 D CA 0.892 54.817 54.000 -0.126 0.000 0.846 72 D CB -0.372 40.394 40.800 -0.057 0.000 0.941 72 D HN 0.415 nan 8.370 nan 0.000 0.456 73 L N -0.100 121.092 121.223 -0.051 0.000 2.552 73 L HA 0.040 4.379 4.340 -0.001 0.000 0.227 73 L C 2.059 178.941 176.870 0.020 0.000 1.146 73 L CA 0.041 54.890 54.840 0.015 0.000 0.858 73 L CB -0.056 42.045 42.059 0.070 0.000 0.969 73 L HN 0.042 nan 8.230 nan 0.000 0.451 74 L N -1.112 120.098 121.223 -0.022 0.000 2.395 74 L HA -0.016 4.323 4.340 -0.001 0.000 0.218 74 L C 1.342 178.211 176.870 -0.003 0.000 1.130 74 L CA 0.646 55.481 54.840 -0.008 0.000 0.826 74 L CB -0.135 41.888 42.059 -0.060 0.000 0.941 74 L HN 0.223 nan 8.230 nan 0.000 0.451 75 T N -2.072 112.480 114.554 -0.003 0.000 2.807 75 T HA 0.182 4.532 4.350 -0.001 0.000 0.277 75 T C -1.217 173.526 174.700 0.071 0.000 1.006 75 T CA -0.625 61.505 62.100 0.050 0.000 1.006 75 T CB 1.807 70.707 68.868 0.052 0.000 1.274 75 T HN -0.132 nan 8.240 nan 0.000 0.569 76 D N 2.273 122.749 120.400 0.126 0.000 2.485 76 D HA 0.248 4.888 4.640 -0.001 0.000 0.229 76 D C 1.159 177.495 176.300 0.060 0.000 1.101 76 D CA -0.394 53.634 54.000 0.047 0.000 0.906 76 D CB 0.254 41.040 40.800 -0.023 0.000 1.019 76 D HN 0.311 nan 8.370 nan 0.000 0.516 77 M N 1.315 120.946 119.600 0.051 0.000 2.374 77 M HA -0.080 4.399 4.480 -0.001 0.000 0.264 77 M C 0.790 177.077 176.300 -0.022 0.000 1.067 77 M CA 0.808 56.143 55.300 0.058 0.000 1.103 77 M CB -0.239 32.369 32.600 0.013 0.000 1.402 77 M HN 0.300 nan 8.290 nan 0.000 0.444 78 D N 0.559 120.915 120.400 -0.073 0.000 2.178 78 D HA -0.144 4.496 4.640 -0.001 0.000 0.201 78 D C 1.917 178.131 176.300 -0.145 0.000 0.980 78 D CA 1.002 54.936 54.000 -0.111 0.000 0.842 78 D CB -0.070 40.675 40.800 -0.091 0.000 0.948 78 D HN 0.433 nan 8.370 nan 0.000 0.472 79 R N -1.185 119.186 120.500 -0.216 0.000 2.317 79 R HA 0.055 4.394 4.340 -0.001 0.000 0.208 79 R C 0.821 176.851 176.300 -0.451 0.000 0.914 79 R CA 0.817 56.708 56.100 -0.348 0.000 1.060 79 R CB -0.299 29.729 30.300 -0.454 0.000 1.015 79 R HN 0.118 nan 8.270 nan 0.000 0.498 80 Y N 0.876 121.151 120.300 -0.042 0.000 2.467 80 Y HA 0.273 4.822 4.550 -0.001 0.000 0.259 80 Y C 0.035 175.928 175.900 -0.011 0.000 1.084 80 Y CA -0.729 57.352 58.100 -0.032 0.000 1.275 80 Y CB 0.323 38.764 38.460 -0.032 0.000 1.208 80 Y HN 0.024 nan 8.280 nan 0.000 0.511 81 K N 0.980 121.447 120.400 0.112 0.000 2.295 81 K HA 0.428 4.747 4.320 -0.001 0.000 0.270 81 K C 0.632 177.268 176.600 0.060 0.000 1.011 81 K CA -0.103 56.271 56.287 0.146 0.000 0.953 81 K CB 0.787 33.297 32.500 0.017 0.000 0.956 81 K HN 0.112 nan 8.250 nan 0.000 0.477 82 G N 2.060 110.928 108.800 0.114 0.000 2.491 82 G HA2 0.148 4.107 3.960 -0.001 0.000 0.242 82 G HA3 0.148 4.107 3.960 -0.001 0.000 0.242 82 G C -0.973 173.872 174.900 -0.091 0.000 1.266 82 G CA -0.685 44.330 45.100 -0.141 0.000 0.844 82 G HN 0.565 nan 8.290 nan 0.000 0.571 83 K N 1.170 121.434 120.400 -0.226 0.000 2.572 83 K HA 0.251 4.570 4.320 -0.001 0.000 0.244 83 K C -0.518 176.121 176.600 0.066 0.000 0.965 83 K CA -0.503 55.705 56.287 -0.132 0.000 0.943 83 K CB 1.534 33.773 32.500 -0.436 0.000 1.154 83 K HN 0.454 nan 8.250 nan 0.000 0.447 84 C N 5.231 124.591 119.300 0.101 0.000 2.663 84 C HA 0.077 4.536 4.460 -0.001 0.000 0.379 84 C C 1.062 176.201 174.990 0.249 0.000 1.255 84 C CA -0.302 58.818 59.018 0.169 0.000 1.503 84 C CB -1.523 26.316 27.740 0.164 0.000 2.187 84 C HN 0.936 nan 8.230 nan 0.000 0.580 85 Y N 2.653 123.096 120.300 0.238 0.000 2.449 85 Y HA 0.441 4.991 4.550 -0.001 0.000 0.254 85 Y C 0.756 176.845 175.900 0.315 0.000 1.140 85 Y CA -0.108 58.129 58.100 0.229 0.000 1.272 85 Y CB -0.485 38.171 38.460 0.327 0.000 1.114 85 Y HN 0.758 nan 8.280 nan 0.000 0.525 86 H N 0.389 119.373 119.070 -0.143 0.000 3.086 86 H HA 0.516 5.072 4.556 -0.001 0.000 0.353 86 H C -1.987 173.504 175.328 0.271 0.000 1.134 86 H CA -0.913 55.151 56.048 0.027 0.000 1.248 86 H CB 1.830 31.471 29.762 -0.201 0.000 1.878 86 H HN 0.152 nan 8.280 nan 0.000 0.527 87 I N 4.285 124.616 120.570 -0.398 0.000 2.533 87 I HA 0.221 4.390 4.170 -0.001 0.000 0.290 87 I C -0.759 175.215 176.117 -0.238 0.000 1.056 87 I CA -0.647 60.606 61.300 -0.079 0.000 1.057 87 I CB 2.374 40.406 38.000 0.053 0.000 1.240 87 I HN 0.571 nan 8.210 nan 0.000 0.423 88 E N 7.196 127.511 120.200 0.192 0.000 2.314 88 E HA 0.564 4.913 4.350 -0.001 0.000 0.272 88 E C -2.951 173.811 176.600 0.271 0.000 0.884 88 E CA -2.183 54.384 56.400 0.280 0.000 0.753 88 E CB 2.649 32.651 29.700 0.504 0.000 1.213 88 E HN 0.144 nan 8.360 nan 0.000 0.432 89 P HA 0.028 nan 4.420 nan 0.000 0.275 89 P C 0.060 177.245 177.300 -0.192 0.000 1.227 89 P CA -0.440 62.549 63.100 -0.184 0.000 0.781 89 P CB 1.044 32.630 31.700 -0.190 0.000 0.906 90 V N 2.040 121.703 119.914 -0.418 0.000 2.529 90 V HA 0.123 4.243 4.120 -0.001 0.000 0.292 90 V C 1.456 177.443 176.094 -0.178 0.000 1.028 90 V CA 0.272 62.375 62.300 -0.330 0.000 1.074 90 V CB -0.722 30.806 31.823 -0.492 0.000 0.958 90 V HN 0.748 nan 8.190 nan 0.000 0.481 91 Q N 3.817 123.584 119.800 -0.054 0.000 2.242 91 Q HA 0.411 4.750 4.340 -0.001 0.000 0.284 91 Q C 1.471 177.441 176.000 -0.051 0.000 1.130 91 Q CA 0.703 56.486 55.803 -0.032 0.000 0.940 91 Q CB -0.394 28.353 28.738 0.014 0.000 1.146 91 Q HN 2.027 nan 8.270 nan 0.000 0.388 92 G N 1.372 110.133 108.800 -0.066 0.000 2.241 92 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.244 92 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.244 92 G C 0.315 175.167 174.900 -0.080 0.000 0.998 92 G CA 0.264 45.330 45.100 -0.057 0.000 0.621 92 G HN 0.861 nan 8.290 nan 0.000 0.519 93 E N 1.737 121.863 120.200 -0.123 0.000 2.200 93 E HA 0.516 4.865 4.350 -0.001 0.000 0.283 93 E C 0.490 176.973 176.600 -0.196 0.000 1.015 93 E CA -0.413 55.898 56.400 -0.149 0.000 0.819 93 E CB 0.460 30.049 29.700 -0.185 0.000 1.081 93 E HN 0.614 nan 8.360 nan 0.000 0.397 94 E N 3.119 123.229 120.200 -0.150 0.000 2.289 94 E HA 0.153 4.502 4.350 -0.001 0.000 0.278 94 E C -0.240 176.249 176.600 -0.186 0.000 1.032 94 E CA -0.540 55.770 56.400 -0.149 0.000 0.854 94 E CB 0.455 30.105 29.700 -0.083 0.000 1.046 94 E HN 0.490 nan 8.360 nan 0.000 0.409 95 N N 1.207 119.766 118.700 -0.235 0.000 2.735 95 N HA -0.205 4.534 4.740 -0.001 0.000 0.248 95 N C -1.742 173.562 175.510 -0.342 0.000 1.083 95 N CA 1.129 54.067 53.050 -0.187 0.000 0.703 95 N CB -0.959 37.513 38.487 -0.025 0.000 1.005 95 N HN 0.448 nan 8.380 nan 0.000 0.550 96 S N 0.024 115.315 115.700 -0.681 0.000 2.532 96 S HA 0.740 5.209 4.470 -0.001 0.000 0.299 96 S C -1.418 172.514 174.600 -1.114 0.000 1.105 96 S CA -0.451 57.339 58.200 -0.683 0.000 1.018 96 S CB 0.626 63.561 63.200 -0.442 0.000 1.021 96 S HN 0.270 nan 8.310 nan 0.000 0.483 97 Y N 1.609 121.453 120.300 -0.761 0.000 2.545 97 Y HA 0.604 5.153 4.550 -0.001 0.000 0.348 97 Y C -0.805 174.726 175.900 -0.614 0.000 1.002 97 Y CA -1.135 56.535 58.100 -0.716 0.000 1.039 97 Y CB 0.903 38.846 38.460 -0.862 0.000 1.271 97 Y HN 0.494 nan 8.280 nan 0.000 0.467 98 F N 1.504 121.516 119.950 0.103 0.000 2.410 98 F HA 0.681 5.207 4.527 -0.001 0.000 0.349 98 F C 0.325 176.292 175.800 0.278 0.000 1.117 98 F CA -1.126 56.957 58.000 0.140 0.000 1.104 98 F CB 1.027 40.121 39.000 0.157 0.000 1.122 98 F HN 0.513 nan 8.300 nan 0.000 0.483 99 A N 4.366 127.477 122.820 0.486 0.000 2.292 99 A HA 0.758 5.077 4.320 -0.001 0.000 0.319 99 A C -1.326 176.315 177.584 0.095 0.000 1.206 99 A CA -0.396 51.852 52.037 0.352 0.000 0.835 99 A CB 0.131 19.257 19.000 0.210 0.000 1.164 99 A HN 0.523 nan 8.150 nan 0.000 0.505 100 F N 2.168 122.214 119.950 0.159 0.000 2.426 100 F HA 0.575 5.102 4.527 -0.001 0.000 0.348 100 F C 0.100 175.847 175.800 -0.088 0.000 1.124 100 F CA -0.458 57.578 58.000 0.061 0.000 1.008 100 F CB 1.485 40.407 39.000 -0.130 0.000 1.139 100 F HN 0.321 nan 8.300 nan 0.000 0.452 101 I N 2.970 123.759 120.570 0.365 0.000 2.465 101 I HA 0.645 4.815 4.170 -0.001 0.000 0.291 101 I C -0.441 175.852 176.117 0.293 0.000 1.014 101 I CA -1.031 60.427 61.300 0.265 0.000 1.093 101 I CB 1.928 39.976 38.000 0.081 0.000 1.267 101 I HN 0.643 nan 8.210 nan 0.000 0.431 102 A N 6.105 129.041 122.820 0.194 0.000 2.305 102 A HA 0.772 5.091 4.320 -0.001 0.000 0.322 102 A C -1.521 175.940 177.584 -0.205 0.000 1.187 102 A CA -0.232 51.843 52.037 0.063 0.000 0.825 102 A CB 0.476 19.523 19.000 0.079 0.000 1.164 102 A HN 0.604 nan 8.150 nan 0.000 0.498 103 Y N 1.889 122.276 120.300 0.144 0.000 2.391 103 Y HA 0.438 4.988 4.550 -0.001 0.000 0.341 103 Y C -2.358 173.662 175.900 0.199 0.000 0.965 103 Y CA -2.355 55.859 58.100 0.190 0.000 1.067 103 Y CB 1.911 40.601 38.460 0.384 0.000 1.199 103 Y HN 0.489 nan 8.280 nan 0.000 0.450 104 P HA -0.035 nan 4.420 nan 0.000 0.269 104 P C 0.730 178.185 177.300 0.258 0.000 1.209 104 P CA -0.146 63.061 63.100 0.178 0.000 0.776 104 P CB 0.914 32.666 31.700 0.086 0.000 0.876 105 L N 2.935 124.295 121.223 0.228 0.000 2.129 105 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 105 L C 1.245 178.251 176.870 0.226 0.000 1.087 105 L CA 2.068 57.072 54.840 0.274 0.000 0.757 105 L CB -1.006 41.154 42.059 0.168 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.434 106 D N -0.735 119.744 120.400 0.133 0.000 2.310 106 D HA -0.118 4.522 4.640 -0.001 0.000 0.212 106 D C 2.153 178.445 176.300 -0.014 0.000 0.965 106 D CA 0.911 54.975 54.000 0.106 0.000 0.879 106 D CB -0.073 40.850 40.800 0.206 0.000 0.921 106 D HN 0.405 nan 8.370 nan 0.000 0.510 107 L N -0.735 120.356 121.223 -0.220 0.000 2.478 107 L HA 0.030 4.369 4.340 -0.001 0.000 0.223 107 L C 0.074 176.494 176.870 -0.751 0.000 1.140 107 L CA 0.367 54.867 54.840 -0.566 0.000 0.842 107 L CB -0.104 41.448 42.059 -0.846 0.000 0.953 107 L HN -0.115 nan 8.230 nan 0.000 0.452 108 F N -0.311 119.668 119.950 0.048 0.000 2.469 108 F HA 0.321 4.847 4.527 -0.001 0.000 0.332 108 F C 0.615 176.423 175.800 0.013 0.000 1.103 108 F CA -1.404 56.615 58.000 0.032 0.000 0.979 108 F CB 0.993 40.028 39.000 0.059 0.000 1.137 108 F HN -0.181 nan 8.300 nan 0.000 0.463 109 E N 1.738 122.023 120.200 0.143 0.000 2.376 109 E HA 0.079 4.428 4.350 -0.001 0.000 0.266 109 E C -0.719 175.893 176.600 0.020 0.000 1.009 109 E CA -0.447 55.986 56.400 0.055 0.000 0.902 109 E CB 0.564 30.278 29.700 0.023 0.000 0.972 109 E HN 0.519 nan 8.360 nan 0.000 0.439 110 E N 2.330 122.504 120.200 -0.043 0.000 2.417 110 E HA 0.178 4.527 4.350 -0.001 0.000 0.261 110 E C 0.708 177.093 176.600 -0.358 0.000 1.000 110 E CA 1.297 57.605 56.400 -0.153 0.000 0.919 110 E CB 0.656 30.290 29.700 -0.111 0.000 0.955 110 E HN 0.784 nan 8.360 nan 0.000 0.455 111 G N 2.697 110.986 108.800 -0.853 0.000 2.160 111 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.251 111 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.251 111 G C 0.198 174.645 174.900 -0.756 0.000 1.008 111 G CA 0.407 44.670 45.100 -1.394 0.000 0.724 111 G HN 0.513 nan 8.290 nan 0.000 0.514 112 S N -0.808 114.682 115.700 -0.350 0.000 2.669 112 S HA 0.554 5.023 4.470 -0.001 0.000 0.315 112 S C 1.329 176.044 174.600 0.191 0.000 1.106 112 S CA 0.062 58.270 58.200 0.013 0.000 1.107 112 S CB 1.527 64.734 63.200 0.012 0.000 0.990 112 S HN 0.535 nan 8.310 nan 0.000 0.471 113 V N 4.831 124.865 119.914 0.200 0.000 2.453 113 V HA -0.086 4.033 4.120 -0.001 0.000 0.247 113 V C 2.515 178.531 176.094 -0.131 0.000 1.048 113 V CA 2.234 64.496 62.300 -0.064 0.000 1.049 113 V CB -0.890 30.670 31.823 -0.438 0.000 0.672 113 V HN 0.871 nan 8.190 nan 0.000 0.457 114 T N 0.268 114.805 114.554 -0.029 0.000 2.653 114 T HA -0.290 4.059 4.350 -0.001 0.000 0.268 114 T C 1.876 176.601 174.700 0.042 0.000 1.035 114 T CA 2.149 64.269 62.100 0.034 0.000 1.154 114 T CB -0.480 68.443 68.868 0.093 0.000 0.862 114 T HN 0.581 nan 8.240 nan 0.000 0.441 115 N N 0.475 119.216 118.700 0.068 0.000 2.216 115 N HA -0.025 4.715 4.740 -0.001 0.000 0.183 115 N C 2.006 177.610 175.510 0.156 0.000 1.017 115 N CA 0.846 53.956 53.050 0.101 0.000 0.861 115 N CB -0.116 38.439 38.487 0.113 0.000 0.986 115 N HN 0.375 nan 8.380 nan 0.000 0.428 116 I N 1.282 121.945 120.570 0.154 0.000 2.226 116 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 116 I C 2.282 178.418 176.117 0.031 0.000 1.100 116 I CA 0.892 62.257 61.300 0.107 0.000 1.374 116 I CB -0.179 37.810 38.000 -0.019 0.000 1.057 116 I HN 0.183 nan 8.210 nan 0.000 0.413 117 L N -0.119 121.096 121.223 -0.013 0.000 2.056 117 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 117 L C 2.614 179.494 176.870 0.017 0.000 1.078 117 L CA 1.479 56.304 54.840 -0.025 0.000 0.749 117 L CB -0.832 41.196 42.059 -0.053 0.000 0.901 117 L HN 0.258 nan 8.230 nan 0.000 0.433 118 T N -1.041 113.535 114.554 0.037 0.000 2.788 118 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 118 T C 2.140 176.871 174.700 0.052 0.000 1.044 118 T CA 1.610 63.736 62.100 0.044 0.000 1.139 118 T CB -0.027 68.868 68.868 0.045 0.000 0.867 118 T HN 0.258 nan 8.240 nan 0.000 0.454 119 S N 0.860 116.600 115.700 0.067 0.000 2.336 119 S HA 0.044 4.513 4.470 -0.001 0.000 0.216 119 S C 2.053 176.678 174.600 0.043 0.000 1.032 119 S CA 0.613 58.846 58.200 0.055 0.000 0.973 119 S CB -0.206 63.049 63.200 0.091 0.000 0.888 119 S HN 0.303 nan 8.310 nan 0.000 0.455 120 I N 1.660 122.244 120.570 0.022 0.000 2.315 120 I HA -0.026 4.143 4.170 -0.001 0.000 0.248 120 I C 1.901 178.174 176.117 0.260 0.000 1.117 120 I CA 1.235 62.568 61.300 0.055 0.000 1.404 120 I CB -1.211 36.752 38.000 -0.062 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.650 117.371 119.914 0.179 0.000 3.159 121 V HA 0.537 4.656 4.120 -0.001 0.000 0.333 121 V C 1.696 177.856 176.094 0.111 0.000 1.424 121 V CA 0.361 62.792 62.300 0.218 0.000 1.125 121 V CB -0.311 31.484 31.823 -0.045 0.000 1.075 121 V HN 0.187 nan 8.190 nan 0.000 0.482 122 G N 1.826 110.692 108.800 0.110 0.000 2.433 122 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.216 122 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.216 122 G C 1.198 176.165 174.900 0.112 0.000 1.186 122 G CA 1.392 46.539 45.100 0.079 0.000 0.779 122 G HN 0.559 nan 8.290 nan 0.000 0.543 123 N N -0.650 118.138 118.700 0.146 0.000 2.325 123 N HA -0.007 4.732 4.740 -0.001 0.000 0.220 123 N C 2.186 177.833 175.510 0.228 0.000 1.176 123 N CA 0.874 54.028 53.050 0.174 0.000 0.861 123 N CB 0.393 38.972 38.487 0.153 0.000 1.230 123 N HN 0.277 nan 8.380 nan 0.000 0.479 124 V N -1.147 118.855 119.914 0.146 0.000 2.867 124 V HA -0.012 4.107 4.120 -0.001 0.000 0.260 124 V C 1.633 177.740 176.094 0.021 0.000 1.099 124 V CA 1.204 63.465 62.300 -0.066 0.000 1.122 124 V CB -1.169 30.462 31.823 -0.319 0.000 0.708 124 V HN -0.078 nan 8.190 nan 0.000 0.490 125 F N 2.370 122.355 119.950 0.058 0.000 2.558 125 F HA 0.332 4.858 4.527 -0.001 0.000 0.298 125 F C 2.287 178.214 175.800 0.212 0.000 1.119 125 F CA 1.100 59.173 58.000 0.121 0.000 1.451 125 F CB -0.448 38.609 39.000 0.094 0.000 1.091 125 F HN 0.348 nan 8.300 nan 0.000 0.563 126 G N -1.821 107.186 108.800 0.346 0.000 3.277 126 G HA2 0.024 3.983 3.960 -0.001 0.000 0.243 126 G HA3 0.024 3.983 3.960 -0.001 0.000 0.243 126 G C 0.029 175.052 174.900 0.205 0.000 1.107 126 G CA -0.236 45.012 45.100 0.246 0.000 0.771 126 G HN 0.023 nan 8.290 nan 0.000 0.544 127 F N 1.884 121.846 119.950 0.021 0.000 2.593 127 F HA 0.120 4.647 4.527 -0.001 0.000 0.393 127 F C 1.828 177.625 175.800 -0.005 0.000 1.037 127 F CA 0.331 58.321 58.000 -0.017 0.000 1.195 127 F CB 0.866 39.824 39.000 -0.071 0.000 1.034 127 F HN -0.006 nan 8.300 nan 0.000 0.552 128 K N 3.237 123.550 120.400 -0.145 0.000 2.113 128 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 128 K C 1.894 178.500 176.600 0.010 0.000 1.047 128 K CA 1.425 57.666 56.287 -0.077 0.000 0.928 128 K CB -0.162 32.247 32.500 -0.151 0.000 0.716 128 K HN 0.707 nan 8.250 nan 0.000 0.446 129 A N 0.628 123.489 122.820 0.068 0.000 2.239 129 A HA 0.013 4.332 4.320 -0.001 0.000 0.209 129 A C 0.490 178.147 177.584 0.122 0.000 1.171 129 A CA 0.539 52.645 52.037 0.116 0.000 0.768 129 A CB 0.038 19.152 19.000 0.189 0.000 0.790 129 A HN 0.065 nan 8.150 nan 0.000 0.478 130 I N -0.493 120.156 120.570 0.131 0.000 2.466 130 I HA 0.303 4.472 4.170 -0.001 0.000 0.289 130 I C 0.834 177.018 176.117 0.113 0.000 1.026 130 I CA -0.405 60.965 61.300 0.118 0.000 1.078 130 I CB 1.646 39.692 38.000 0.077 0.000 1.249 130 I HN 0.254 nan 8.210 nan 0.000 0.429 131 R N 2.950 123.518 120.500 0.113 0.000 2.075 131 R HA 0.041 4.380 4.340 -0.001 0.000 0.226 131 R C 0.286 176.652 176.300 0.111 0.000 1.114 131 R CA 0.768 56.921 56.100 0.089 0.000 0.972 131 R CB 0.151 30.494 30.300 0.072 0.000 0.869 131 R HN 0.745 nan 8.270 nan 0.000 0.437 132 S N -0.484 115.317 115.700 0.167 0.000 2.537 132 S HA 0.553 5.022 4.470 -0.001 0.000 0.271 132 S C -1.464 173.281 174.600 0.243 0.000 1.148 132 S CA -1.102 57.269 58.200 0.285 0.000 0.868 132 S CB 2.086 65.415 63.200 0.216 0.000 1.115 132 S HN 0.036 nan 8.310 nan 0.000 0.461 133 L N 1.317 122.679 121.223 0.231 0.000 2.482 133 L HA 0.864 5.204 4.340 -0.001 0.000 0.263 133 L C -1.103 175.681 176.870 -0.144 0.000 0.957 133 L CA -0.356 54.412 54.840 -0.121 0.000 0.836 133 L CB 2.225 43.925 42.059 -0.598 0.000 1.324 133 L HN 1.084 nan 8.230 nan 0.000 0.406 134 R N 3.965 124.496 120.500 0.051 0.000 2.515 134 R HA 0.648 4.987 4.340 -0.001 0.000 0.291 134 R C -2.022 174.388 176.300 0.182 0.000 1.046 134 R CA -0.672 55.548 56.100 0.199 0.000 0.914 134 R CB 1.451 31.858 30.300 0.177 0.000 1.191 134 R HN 0.658 nan 8.270 nan 0.000 0.435 135 L N 4.114 125.463 121.223 0.210 0.000 2.361 135 L HA 0.304 4.643 4.340 -0.001 0.000 0.278 135 L C 0.369 177.159 176.870 -0.134 0.000 1.113 135 L CA 0.648 55.396 54.840 -0.153 0.000 0.849 135 L CB 1.083 43.055 42.059 -0.145 0.000 1.155 135 L HN 0.822 nan 8.230 nan 0.000 0.452 136 E N 2.273 122.283 120.200 -0.317 0.000 2.201 136 E HA 0.128 4.478 4.350 -0.001 0.000 0.193 136 E C -0.289 176.109 176.600 -0.336 0.000 0.957 136 E CA 0.439 56.616 56.400 -0.372 0.000 0.858 136 E CB 0.420 29.576 29.700 -0.908 0.000 0.816 136 E HN 0.681 nan 8.360 nan 0.000 0.475 137 D N -0.994 119.192 120.400 -0.358 0.000 2.663 137 D HA 0.397 5.036 4.640 -0.001 0.000 0.233 137 D C -1.431 174.857 176.300 -0.021 0.000 1.240 137 D CA -0.480 53.459 54.000 -0.101 0.000 0.774 137 D CB 1.666 42.456 40.800 -0.018 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.664 122.188 120.570 -0.076 0.000 2.499 138 I HA 0.314 4.483 4.170 -0.001 0.000 0.288 138 I C -0.146 175.681 176.117 -0.483 0.000 1.048 138 I CA -0.866 60.189 61.300 -0.408 0.000 1.062 138 I CB 2.063 39.577 38.000 -0.810 0.000 1.238 138 I HN 0.058 nan 8.210 nan 0.000 0.426 139 R N 6.347 126.445 120.500 -0.671 0.000 2.248 139 R HA 0.290 4.629 4.340 -0.001 0.000 0.337 139 R C -1.371 174.610 176.300 -0.532 0.000 1.106 139 R CA -0.429 55.347 56.100 -0.539 0.000 0.959 139 R CB -0.046 29.846 30.300 -0.681 0.000 1.075 139 R HN 0.308 nan 8.270 nan 0.000 0.480 140 F N 6.650 126.400 119.950 -0.332 0.000 2.471 140 F HA 0.228 4.755 4.527 -0.001 0.000 0.365 140 F C -1.238 174.390 175.800 -0.286 0.000 1.095 140 F CA -1.812 55.986 58.000 -0.335 0.000 1.174 140 F CB 0.552 39.300 39.000 -0.420 0.000 1.105 140 F HN 0.340 nan 8.300 nan 0.000 0.535 141 P HA 0.010 nan 4.420 nan 0.000 0.272 141 P C 0.884 178.174 177.300 -0.017 0.000 1.223 141 P CA -0.082 62.993 63.100 -0.040 0.000 0.784 141 P CB 1.473 33.168 31.700 -0.009 0.000 0.923 142 V N 2.517 122.416 119.914 -0.025 0.000 2.392 142 V HA -0.277 3.842 4.120 -0.001 0.000 0.249 142 V C 2.628 178.742 176.094 0.032 0.000 1.059 142 V CA 2.758 65.053 62.300 -0.008 0.000 1.051 142 V CB -1.613 30.210 31.823 -0.000 0.000 0.658 142 V HN 0.689 nan 8.190 nan 0.000 0.455 143 A N -0.610 122.234 122.820 0.039 0.000 1.972 143 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 143 A C 2.122 179.756 177.584 0.084 0.000 1.169 143 A CA 1.982 54.052 52.037 0.055 0.000 0.635 143 A CB -0.396 18.635 19.000 0.052 0.000 0.810 143 A HN 0.458 nan 8.150 nan 0.000 0.446 144 L N -0.631 120.657 121.223 0.108 0.000 2.127 144 L HA 0.030 4.370 4.340 -0.001 0.000 0.203 144 L C 2.331 179.364 176.870 0.271 0.000 1.080 144 L CA 1.366 56.314 54.840 0.181 0.000 0.768 144 L CB -0.387 41.791 42.059 0.199 0.000 0.924 144 L HN 0.118 nan 8.230 nan 0.000 0.444 145 V N 0.042 120.047 119.914 0.152 0.000 2.453 145 V HA -0.302 3.817 4.120 -0.001 0.000 0.252 145 V C 2.416 178.650 176.094 0.233 0.000 1.068 145 V CA 1.642 64.015 62.300 0.121 0.000 1.070 145 V CB -0.795 31.014 31.823 -0.023 0.000 0.664 145 V HN 0.413 nan 8.190 nan 0.000 0.461 146 K N 0.240 120.736 120.400 0.160 0.000 2.486 146 K HA -0.030 4.289 4.320 -0.001 0.000 0.194 146 K C 1.937 178.595 176.600 0.097 0.000 1.033 146 K CA 1.309 57.668 56.287 0.121 0.000 1.004 146 K CB -0.160 32.385 32.500 0.076 0.000 0.798 146 K HN 0.734 nan 8.250 nan 0.000 0.495 147 T N -1.946 112.667 114.554 0.098 0.000 3.107 147 T HA 0.129 4.478 4.350 -0.001 0.000 0.249 147 T C 0.433 175.009 174.700 -0.208 0.000 1.096 147 T CA -0.210 61.845 62.100 -0.076 0.000 1.012 147 T CB -0.186 68.575 68.868 -0.179 0.000 0.977 147 T HN -0.177 nan 8.240 nan 0.000 0.527 148 F N 1.235 121.177 119.950 -0.014 0.000 2.470 148 F HA 0.502 5.029 4.527 -0.001 0.000 0.329 148 F C 1.626 177.417 175.800 -0.015 0.000 1.072 148 F CA -1.268 56.719 58.000 -0.022 0.000 0.989 148 F CB 1.822 40.795 39.000 -0.046 0.000 1.193 148 F HN -0.119 nan 8.300 nan 0.000 0.481 149 Q N 1.867 121.764 119.800 0.163 0.000 2.049 149 Q HA 0.229 4.568 4.340 -0.001 0.000 0.198 149 Q C 0.999 177.037 176.000 0.064 0.000 0.971 149 Q CA 1.246 57.095 55.803 0.076 0.000 0.833 149 Q CB -0.092 28.666 28.738 0.033 0.000 0.896 149 Q HN 1.001 nan 8.270 nan 0.000 0.434 150 G N 0.269 109.113 108.800 0.073 0.000 2.632 150 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.224 150 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.224 150 G C -2.555 172.313 174.900 -0.052 0.000 1.341 150 G CA -0.474 44.623 45.100 -0.005 0.000 0.880 150 G HN 0.311 nan 8.290 nan 0.000 0.566 151 P HA 0.178 nan 4.420 nan 0.000 0.261 151 P C -1.692 175.524 177.300 -0.141 0.000 1.173 151 P CA -0.270 62.766 63.100 -0.107 0.000 0.760 151 P CB 0.330 31.967 31.700 -0.104 0.000 0.783 152 P HA -0.201 nan 4.420 nan 0.000 0.217 152 P C 0.748 177.575 177.300 -0.789 0.000 1.151 152 P CA 1.932 64.776 63.100 -0.427 0.000 0.849 152 P CB 0.015 31.504 31.700 -0.351 0.000 0.787 153 H N -3.977 115.070 119.070 -0.039 0.000 1.855 153 H HA 0.331 4.886 4.556 -0.001 0.000 0.178 153 H C 1.225 176.541 175.328 -0.020 0.000 0.923 153 H CA 0.947 56.980 56.048 -0.026 0.000 0.993 153 H CB 0.042 29.790 29.762 -0.024 0.000 1.078 153 H HN 0.100 nan 8.280 nan 0.000 0.349 154 G N 1.262 110.113 108.800 0.085 0.000 2.756 154 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.678 154 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.678 154 G C 0.842 175.784 174.900 0.070 0.000 1.349 154 G CA -0.020 45.102 45.100 0.037 0.000 0.847 154 G HN 0.213 nan 8.290 nan 0.000 0.548 155 I N 0.190 120.788 120.570 0.047 0.000 2.127 155 I HA -0.259 3.911 4.170 -0.001 0.000 0.241 155 I C 2.932 179.098 176.117 0.083 0.000 1.075 155 I CA 2.430 63.769 61.300 0.065 0.000 1.334 155 I CB -0.277 37.749 38.000 0.044 0.000 1.040 155 I HN 0.758 nan 8.210 nan 0.000 0.405 156 Q N 1.061 120.908 119.800 0.079 0.000 2.050 156 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 156 Q C 2.358 178.423 176.000 0.109 0.000 0.980 156 Q CA 2.135 57.998 55.803 0.100 0.000 0.840 156 Q CB -0.029 28.758 28.738 0.082 0.000 0.898 156 Q HN 0.378 nan 8.270 nan 0.000 0.424 157 V N 1.399 121.372 119.914 0.098 0.000 2.427 157 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 157 V C 2.328 178.469 176.094 0.078 0.000 1.051 157 V CA 2.169 64.530 62.300 0.102 0.000 1.048 157 V CB -0.723 31.180 31.823 0.133 0.000 0.666 157 V HN 0.500 nan 8.190 nan 0.000 0.456 158 E N 0.405 120.654 120.200 0.082 0.000 2.051 158 E HA -0.244 4.106 4.350 -0.001 0.000 0.192 158 E C 2.451 179.067 176.600 0.027 0.000 0.991 158 E CA 1.382 57.813 56.400 0.051 0.000 0.799 158 E CB -0.070 29.690 29.700 0.100 0.000 0.748 158 E HN 0.528 nan 8.360 nan 0.000 0.449 159 R N 0.371 120.888 120.500 0.027 0.000 2.096 159 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 159 R C 1.942 178.116 176.300 -0.209 0.000 1.127 159 R CA 1.405 57.446 56.100 -0.099 0.000 0.968 159 R CB -0.205 30.092 30.300 -0.006 0.000 0.861 159 R HN 0.277 nan 8.270 nan 0.000 0.440 160 D N 0.935 121.354 120.400 0.032 0.000 2.144 160 D HA -0.116 4.523 4.640 -0.001 0.000 0.199 160 D C 1.981 178.295 176.300 0.023 0.000 0.984 160 D CA 0.968 55.034 54.000 0.109 0.000 0.834 160 D CB -0.093 40.798 40.800 0.152 0.000 0.955 160 D HN 0.184 nan 8.370 nan 0.000 0.465 161 L N -0.043 121.175 121.223 -0.007 0.000 2.141 161 L HA -0.050 4.289 4.340 -0.001 0.000 0.209 161 L C 2.096 178.946 176.870 -0.033 0.000 1.094 161 L CA 0.641 55.467 54.840 -0.023 0.000 0.763 161 L CB -0.014 42.009 42.059 -0.060 0.000 0.908 161 L HN 0.018 nan 8.230 nan 0.000 0.437 162 L N -1.424 119.761 121.223 -0.064 0.000 2.616 162 L HA 0.151 4.490 4.340 -0.001 0.000 0.229 162 L C 0.268 177.057 176.870 -0.135 0.000 1.110 162 L CA -0.157 54.644 54.840 -0.064 0.000 0.884 162 L CB 0.064 42.113 42.059 -0.017 0.000 1.115 162 L HN 0.267 nan 8.230 nan 0.000 0.481 163 N N 1.262 119.831 118.700 -0.218 0.000 2.740 163 N HA -0.165 4.574 4.740 -0.001 0.000 0.248 163 N C -0.296 174.961 175.510 -0.421 0.000 1.062 163 N CA 0.892 53.773 53.050 -0.281 0.000 0.704 163 N CB -0.819 37.628 38.487 -0.067 0.000 0.968 163 N HN 0.171 nan 8.380 nan 0.000 0.547 164 K N 0.986 121.011 120.400 -0.626 0.000 2.389 164 K HA 0.435 4.754 4.320 -0.001 0.000 0.261 164 K C -1.014 175.289 176.600 -0.496 0.000 1.014 164 K CA -0.183 55.860 56.287 -0.407 0.000 0.920 164 K CB 0.546 32.914 32.500 -0.220 0.000 1.149 164 K HN 0.091 nan 8.250 nan 0.000 0.444 165 Y N -0.111 120.199 120.300 0.017 0.000 2.512 165 Y HA 0.502 5.051 4.550 -0.001 0.000 0.348 165 Y C 1.228 177.140 175.900 0.020 0.000 0.990 165 Y CA -1.012 57.101 58.100 0.022 0.000 1.033 165 Y CB 2.579 41.051 38.460 0.020 0.000 1.259 165 Y HN 0.600 nan 8.280 nan 0.000 0.461 166 G N 1.607 110.524 108.800 0.195 0.000 2.175 166 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.244 166 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.244 166 G C -0.228 174.723 174.900 0.086 0.000 0.982 166 G CA 0.098 45.270 45.100 0.119 0.000 0.641 166 G HN 0.865 nan 8.290 nan 0.000 0.527 167 R N -1.593 118.955 120.500 0.079 0.000 2.690 167 R HA 0.615 4.955 4.340 -0.001 0.000 0.269 167 R C -3.433 172.902 176.300 0.057 0.000 1.037 167 R CA -1.931 54.207 56.100 0.063 0.000 0.877 167 R CB 0.408 30.738 30.300 0.050 0.000 1.255 167 R HN 0.013 nan 8.270 nan 0.000 0.467 168 P HA -0.020 nan 4.420 nan 0.000 0.266 168 P C -0.572 176.751 177.300 0.038 0.000 1.193 168 P CA 0.280 63.410 63.100 0.050 0.000 0.770 168 P CB 0.474 32.213 31.700 0.065 0.000 0.836 169 M N 1.926 121.549 119.600 0.038 0.000 2.291 169 M HA 0.334 4.814 4.480 -0.001 0.000 0.324 169 M C -0.327 176.018 176.300 0.075 0.000 1.148 169 M CA -0.503 54.821 55.300 0.040 0.000 1.104 169 M CB 0.501 33.175 32.600 0.124 0.000 1.483 169 M HN 0.111 nan 8.290 nan 0.000 0.467 170 L N 1.137 122.390 121.223 0.050 0.000 2.356 170 L HA 0.760 5.099 4.340 -0.001 0.000 0.277 170 L C 0.004 176.950 176.870 0.126 0.000 0.996 170 L CA 0.112 55.016 54.840 0.107 0.000 0.822 170 L CB 1.585 43.682 42.059 0.062 0.000 1.256 170 L HN 0.781 nan 8.230 nan 0.000 0.413 171 G N 1.442 110.339 108.800 0.162 0.000 3.042 171 G HA2 0.669 4.628 3.960 -0.001 0.000 0.278 171 G HA3 0.669 4.628 3.960 -0.001 0.000 0.278 171 G C -1.681 173.257 174.900 0.062 0.000 1.371 171 G CA -0.508 44.656 45.100 0.106 0.000 1.009 171 G HN 0.725 nan 8.290 nan 0.000 0.523 172 C N 0.104 119.387 119.300 -0.029 0.000 2.832 172 C HA 0.674 5.133 4.460 -0.001 0.000 0.383 172 C C -0.227 174.725 174.990 -0.064 0.000 1.046 172 C CA -0.477 58.538 59.018 -0.004 0.000 1.242 172 C CB 0.396 28.147 27.740 0.017 0.000 1.693 172 C HN 0.803 nan 8.230 nan 0.000 0.497 173 T N 7.226 121.768 114.554 -0.019 0.000 2.780 173 T HA 0.389 4.739 4.350 -0.001 0.000 0.294 173 T C 0.457 175.159 174.700 0.004 0.000 0.949 173 T CA -0.266 61.834 62.100 -0.001 0.000 1.074 173 T CB 0.344 69.247 68.868 0.058 0.000 0.910 173 T HN 0.576 nan 8.240 nan 0.000 0.501 174 I N 4.110 124.668 120.570 -0.020 0.000 2.648 174 I HA 0.214 4.383 4.170 -0.001 0.000 0.284 174 I C 0.689 176.806 176.117 0.000 0.000 1.153 174 I CA 0.027 61.270 61.300 -0.095 0.000 1.426 174 I CB -0.064 37.684 38.000 -0.419 0.000 1.381 174 I HN 0.448 nan 8.210 nan 0.000 0.571 175 K N 6.709 127.110 120.400 0.001 0.000 2.395 175 K HA 0.570 4.890 4.320 -0.001 0.000 0.247 175 K C -2.398 174.225 176.600 0.038 0.000 0.973 175 K CA -1.645 54.669 56.287 0.045 0.000 0.828 175 K CB 1.450 33.982 32.500 0.053 0.000 1.272 175 K HN 0.303 nan 8.250 nan 0.000 0.439 176 P HA 0.093 nan 4.420 nan 0.000 0.269 176 P C 0.263 177.610 177.300 0.078 0.000 1.217 176 P CA -0.077 63.050 63.100 0.045 0.000 0.783 176 P CB 0.776 32.481 31.700 0.009 0.000 0.898 177 K N 0.259 120.700 120.400 0.067 0.000 2.059 177 K HA -0.099 4.221 4.320 -0.001 0.000 0.212 177 K C 0.755 177.422 176.600 0.111 0.000 1.050 177 K CA 1.291 57.634 56.287 0.093 0.000 0.927 177 K CB -0.290 32.245 32.500 0.058 0.000 0.714 177 K HN 0.412 nan 8.250 nan 0.000 0.447 178 L N -2.345 118.882 121.223 0.006 0.000 2.376 178 L HA 0.415 4.754 4.340 -0.001 0.000 0.258 178 L C 0.649 177.260 176.870 -0.431 0.000 1.013 178 L CA -0.358 54.389 54.840 -0.155 0.000 0.822 178 L CB 2.392 44.364 42.059 -0.145 0.000 1.388 178 L HN 0.385 nan 8.230 nan 0.000 0.413 179 G N 1.087 109.261 108.800 -1.044 0.000 2.481 179 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.200 179 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.200 179 G C -0.116 174.613 174.900 -0.285 0.000 1.012 179 G CA -0.629 44.015 45.100 -0.759 0.000 0.676 179 G HN 0.305 nan 8.290 nan 0.000 0.488 180 L N 2.863 124.080 121.223 -0.010 0.000 2.397 180 L HA 0.506 4.845 4.340 -0.001 0.000 0.271 180 L C 1.591 178.631 176.870 0.283 0.000 1.148 180 L CA 0.075 55.017 54.840 0.170 0.000 0.825 180 L CB 1.275 43.502 42.059 0.280 0.000 1.117 180 L HN 0.534 nan 8.230 nan 0.000 0.456 181 S N 1.854 117.660 115.700 0.176 0.000 2.617 181 S HA 0.257 4.726 4.470 -0.001 0.000 0.259 181 S C 1.103 175.740 174.600 0.062 0.000 1.301 181 S CA -0.150 58.117 58.200 0.111 0.000 0.984 181 S CB 1.346 64.555 63.200 0.015 0.000 0.954 181 S HN 0.692 nan 8.310 nan 0.000 0.572 182 A N 0.978 123.764 122.820 -0.056 0.000 1.933 182 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 182 A C 2.116 179.521 177.584 -0.299 0.000 1.175 182 A CA 1.956 53.939 52.037 -0.090 0.000 0.628 182 A CB -1.003 17.977 19.000 -0.034 0.000 0.814 182 A HN 0.924 nan 8.150 nan 0.000 0.444 183 K N 0.243 120.249 120.400 -0.657 0.000 2.057 183 K HA -0.106 4.213 4.320 -0.001 0.000 0.206 183 K C 1.614 178.100 176.600 -0.190 0.000 1.050 183 K CA 1.821 57.684 56.287 -0.707 0.000 0.935 183 K CB -0.268 31.845 32.500 -0.644 0.000 0.715 183 K HN 0.386 nan 8.250 nan 0.000 0.439 184 N N -0.430 118.223 118.700 -0.078 0.000 2.244 184 N HA -0.141 4.598 4.740 -0.001 0.000 0.183 184 N C 1.474 177.023 175.510 0.066 0.000 1.016 184 N CA 0.922 53.980 53.050 0.014 0.000 0.866 184 N CB -0.338 38.170 38.487 0.034 0.000 0.980 184 N HN 0.243 nan 8.380 nan 0.000 0.430 185 Y N 1.307 121.603 120.300 -0.007 0.000 2.097 185 Y HA -0.124 4.425 4.550 -0.001 0.000 0.282 185 Y C 2.428 178.352 175.900 0.040 0.000 1.152 185 Y CA 1.923 60.046 58.100 0.040 0.000 1.136 185 Y CB -0.665 37.832 38.460 0.063 0.000 0.975 185 Y HN 0.069 nan 8.280 nan 0.000 0.498 186 G N -0.683 108.220 108.800 0.171 0.000 2.422 186 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.218 186 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.218 186 G C 1.778 176.749 174.900 0.118 0.000 1.140 186 G CA 0.682 45.865 45.100 0.138 0.000 0.775 186 G HN 0.319 nan 8.290 nan 0.000 0.545 187 R N 0.523 121.080 120.500 0.096 0.000 2.080 187 R HA -0.064 4.275 4.340 -0.001 0.000 0.236 187 R C 2.825 179.179 176.300 0.089 0.000 1.137 187 R CA 1.628 57.799 56.100 0.118 0.000 0.943 187 R CB -0.415 29.930 30.300 0.074 0.000 0.846 187 R HN 0.278 nan 8.270 nan 0.000 0.431 188 A N 0.050 122.875 122.820 0.008 0.000 1.969 188 A HA -0.071 4.248 4.320 -0.001 0.000 0.218 188 A C 2.226 179.783 177.584 -0.045 0.000 1.169 188 A CA 1.339 53.351 52.037 -0.041 0.000 0.635 188 A CB -0.278 18.655 19.000 -0.113 0.000 0.810 188 A HN 0.253 nan 8.150 nan 0.000 0.445 189 V N -1.369 118.530 119.914 -0.026 0.000 2.379 189 V HA -0.224 3.895 4.120 -0.001 0.000 0.245 189 V C 2.334 178.466 176.094 0.064 0.000 1.044 189 V CA 1.925 64.237 62.300 0.020 0.000 1.036 189 V CB -0.937 30.901 31.823 0.026 0.000 0.664 189 V HN 0.745 nan 8.190 nan 0.000 0.453 190 Y N 1.538 121.838 120.300 -0.001 0.000 2.181 190 Y HA -0.186 4.363 4.550 -0.001 0.000 0.288 190 Y C 2.503 178.407 175.900 0.006 0.000 1.146 190 Y CA 1.771 59.876 58.100 0.008 0.000 1.164 190 Y CB -0.274 38.198 38.460 0.020 0.000 0.982 190 Y HN 0.260 nan 8.280 nan 0.000 0.515 191 E N -0.664 119.336 120.200 -0.333 0.000 2.150 191 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 191 E C 2.467 178.918 176.600 -0.248 0.000 0.985 191 E CA 1.213 57.378 56.400 -0.391 0.000 0.814 191 E CB -0.784 28.815 29.700 -0.168 0.000 0.752 191 E HN 0.533 nan 8.360 nan 0.000 0.466 192 C N 0.506 119.720 119.300 -0.145 0.000 2.476 192 C HA -0.019 4.440 4.460 -0.001 0.000 0.278 192 C C 2.823 177.753 174.990 -0.101 0.000 1.274 192 C CA 0.268 59.229 59.018 -0.095 0.000 1.713 192 C CB -1.019 26.691 27.740 -0.050 0.000 2.039 192 C HN 0.354 nan 8.230 nan 0.000 0.484 193 L N 1.237 122.407 121.223 -0.089 0.000 2.093 193 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 193 L C 2.885 179.702 176.870 -0.087 0.000 1.085 193 L CA 1.575 56.378 54.840 -0.062 0.000 0.755 193 L CB -0.712 41.348 42.059 0.001 0.000 0.904 193 L HN 0.476 nan 8.230 nan 0.000 0.435 194 R N 0.425 120.823 120.500 -0.169 0.000 2.189 194 R HA -0.063 4.276 4.340 -0.001 0.000 0.223 194 R C 1.946 178.172 176.300 -0.124 0.000 1.092 194 R CA 1.301 57.303 56.100 -0.163 0.000 0.989 194 R CB -0.772 29.308 30.300 -0.367 0.000 0.876 194 R HN 0.236 nan 8.270 nan 0.000 0.457 195 G N -0.468 108.251 108.800 -0.136 0.000 2.712 195 G HA2 0.218 4.178 3.960 -0.001 0.000 0.212 195 G HA3 0.218 4.178 3.960 -0.001 0.000 0.212 195 G C 0.934 175.784 174.900 -0.082 0.000 1.142 195 G CA 0.322 45.359 45.100 -0.106 0.000 0.789 195 G HN 0.605 nan 8.290 nan 0.000 0.535 196 G N -0.898 107.856 108.800 -0.076 0.000 2.227 196 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.168 196 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.168 196 G C 0.251 175.106 174.900 -0.076 0.000 1.006 196 G CA -0.304 44.757 45.100 -0.066 0.000 0.684 196 G HN 0.332 nan 8.290 nan 0.000 0.489 197 L N 1.220 122.396 121.223 -0.079 0.000 2.417 197 L HA 0.346 4.686 4.340 -0.001 0.000 0.268 197 L C 1.134 177.921 176.870 -0.139 0.000 1.158 197 L CA -0.650 54.142 54.840 -0.080 0.000 0.819 197 L CB 0.589 42.621 42.059 -0.046 0.000 1.112 197 L HN 0.006 nan 8.230 nan 0.000 0.458 198 D N 1.451 121.710 120.400 -0.234 0.000 2.162 198 D HA 0.014 4.653 4.640 -0.001 0.000 0.203 198 D C -0.115 175.830 176.300 -0.591 0.000 0.967 198 D CA 1.565 55.257 54.000 -0.513 0.000 0.840 198 D CB 0.257 40.570 40.800 -0.811 0.000 0.972 198 D HN 0.142 nan 8.370 nan 0.000 0.482 199 F N -0.022 119.884 119.950 -0.073 0.000 2.576 199 F HA 0.315 4.841 4.527 -0.001 0.000 0.313 199 F C 0.646 176.280 175.800 -0.277 0.000 1.078 199 F CA -1.080 56.803 58.000 -0.196 0.000 0.921 199 F CB 1.722 40.544 39.000 -0.297 0.000 1.232 199 F HN -0.349 nan 8.300 nan 0.000 0.459 200 T N -1.010 113.461 114.554 -0.138 0.000 2.927 200 T HA 0.861 5.210 4.350 -0.001 0.000 0.286 200 T C -1.062 173.138 174.700 -0.833 0.000 1.040 200 T CA -1.028 60.909 62.100 -0.271 0.000 1.010 200 T CB 2.488 71.377 68.868 0.035 0.000 1.177 200 T HN 0.781 nan 8.240 nan 0.000 0.546 201 K N -0.318 119.653 120.400 -0.715 0.000 2.562 201 K HA 0.466 4.786 4.320 -0.001 0.000 0.267 201 K C -1.913 174.582 176.600 -0.175 0.000 0.938 201 K CA -0.910 54.913 56.287 -0.775 0.000 0.840 201 K CB 1.350 33.518 32.500 -0.554 0.000 1.390 201 K HN 0.355 nan 8.250 nan 0.000 0.428 202 D N 1.904 122.338 120.400 0.057 0.000 2.443 202 D HA 0.026 4.665 4.640 -0.001 0.000 0.239 202 D C -0.325 176.086 176.300 0.186 0.000 1.136 202 D CA 0.522 54.716 54.000 0.324 0.000 0.879 202 D CB 0.664 41.634 40.800 0.285 0.000 1.195 202 D HN 0.431 nan 8.370 nan 0.000 0.443 203 D N 0.808 121.331 120.400 0.206 0.000 2.368 203 D HA -0.060 4.579 4.640 -0.001 0.000 0.240 203 D C 1.486 177.770 176.300 -0.027 0.000 1.169 203 D CA -0.210 53.841 54.000 0.084 0.000 0.906 203 D CB 0.738 41.599 40.800 0.101 0.000 1.187 203 D HN 0.380 nan 8.370 nan 0.000 0.435 204 E N 1.599 121.658 120.200 -0.235 0.000 2.265 204 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 204 E C 0.448 176.953 176.600 -0.158 0.000 0.996 204 E CA 0.901 57.068 56.400 -0.389 0.000 0.832 204 E CB -0.288 28.886 29.700 -0.876 0.000 0.756 204 E HN 0.439 nan 8.360 nan 0.000 0.491 205 N N 0.927 119.588 118.700 -0.066 0.000 2.230 205 N HA 0.057 4.796 4.740 -0.001 0.000 0.202 205 N C 0.137 175.681 175.510 0.056 0.000 1.119 205 N CA -0.254 52.792 53.050 -0.006 0.000 0.851 205 N CB 0.147 38.640 38.487 0.009 0.000 0.990 205 N HN 0.038 nan 8.380 nan 0.000 0.497 206 I N 1.719 122.333 120.570 0.073 0.000 2.363 206 I HA 0.156 4.326 4.170 -0.001 0.000 0.292 206 I C 0.268 176.427 176.117 0.069 0.000 1.075 206 I CA 0.157 61.514 61.300 0.096 0.000 1.333 206 I CB -0.214 37.848 38.000 0.103 0.000 1.415 206 I HN 0.214 nan 8.210 nan 0.000 0.502 207 N N 3.342 122.069 118.700 0.045 0.000 3.420 207 N HA 0.140 4.880 4.740 -0.001 0.000 0.211 207 N C -0.268 175.272 175.510 0.050 0.000 1.201 207 N CA -0.249 52.823 53.050 0.038 0.000 1.134 207 N CB 0.674 39.158 38.487 -0.005 0.000 1.366 207 N HN 0.425 nan 8.380 nan 0.000 0.606 208 S N 0.308 116.009 115.700 0.002 0.000 2.689 208 S HA 0.431 4.901 4.470 -0.001 0.000 0.274 208 S C -1.909 172.623 174.600 -0.114 0.000 1.176 208 S CA -0.414 57.788 58.200 0.004 0.000 1.014 208 S CB 1.234 64.538 63.200 0.173 0.000 1.071 208 S HN 0.242 nan 8.310 nan 0.000 0.478 209 Q N 3.388 123.007 119.800 -0.302 0.000 2.495 209 Q HA 0.504 4.843 4.340 -0.001 0.000 0.287 209 Q C -2.072 173.650 176.000 -0.463 0.000 1.078 209 Q CA -1.853 53.707 55.803 -0.406 0.000 0.793 209 Q CB 1.738 30.098 28.738 -0.630 0.000 1.459 209 Q HN 0.272 nan 8.270 nan 0.000 0.422 210 P HA -0.198 nan 4.420 nan 0.000 0.216 210 P C 0.587 177.795 177.300 -0.153 0.000 1.154 210 P CA 1.489 64.507 63.100 -0.136 0.000 0.865 210 P CB 0.028 31.730 31.700 0.002 0.000 0.789 211 F N -1.690 118.259 119.950 -0.002 0.000 2.661 211 F HA 0.168 4.694 4.527 -0.001 0.000 0.298 211 F C 0.750 176.542 175.800 -0.014 0.000 1.137 211 F CA 0.159 58.157 58.000 -0.004 0.000 1.454 211 F CB -0.597 38.406 39.000 0.005 0.000 1.103 211 F HN -0.103 nan 8.300 nan 0.000 0.577 212 Q N 1.649 121.097 119.800 -0.586 0.000 2.643 212 Q HA 0.198 4.538 4.340 -0.001 0.000 0.225 212 Q C -1.167 174.633 176.000 -0.333 0.000 0.786 212 Q CA -0.503 55.100 55.803 -0.333 0.000 0.953 212 Q CB 1.061 29.684 28.738 -0.192 0.000 1.517 212 Q HN 0.254 nan 8.270 nan 0.000 0.457 213 R N 2.723 123.096 120.500 -0.212 0.000 2.490 213 R HA 0.164 4.503 4.340 -0.001 0.000 0.278 213 R C 1.359 177.550 176.300 -0.182 0.000 1.069 213 R CA -0.164 55.825 56.100 -0.185 0.000 1.080 213 R CB 0.513 30.683 30.300 -0.217 0.000 1.030 213 R HN 0.724 nan 8.270 nan 0.000 0.491 214 W N 3.509 124.702 121.300 -0.177 0.000 2.363 214 W HA -0.108 4.551 4.660 -0.001 0.000 0.296 214 W C 1.085 177.457 176.519 -0.244 0.000 1.212 214 W CA 0.601 57.829 57.345 -0.196 0.000 1.260 214 W CB -0.503 28.771 29.460 -0.310 0.000 1.131 214 W HN 0.558 nan 8.180 nan 0.000 0.530 215 R N 0.887 120.532 120.500 -1.425 0.000 2.115 215 R HA -0.123 4.216 4.340 -0.001 0.000 0.230 215 R C 1.777 177.881 176.300 -0.328 0.000 1.111 215 R CA 1.804 57.160 56.100 -1.241 0.000 0.976 215 R CB -0.274 29.071 30.300 -1.592 0.000 0.870 215 R HN 0.024 nan 8.270 nan 0.000 0.445 216 D N -0.173 120.093 120.400 -0.224 0.000 2.117 216 D HA -0.184 4.455 4.640 -0.001 0.000 0.198 216 D C 1.849 178.336 176.300 0.311 0.000 0.982 216 D CA 0.884 54.937 54.000 0.089 0.000 0.828 216 D CB -0.200 40.648 40.800 0.080 0.000 0.967 216 D HN 0.207 nan 8.370 nan 0.000 0.464 217 R N 0.013 120.653 120.500 0.233 0.000 2.081 217 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 217 R C 2.170 178.721 176.300 0.417 0.000 1.131 217 R CA 0.904 57.184 56.100 0.299 0.000 0.960 217 R CB -0.361 30.060 30.300 0.200 0.000 0.856 217 R HN 0.057 nan 8.270 nan 0.000 0.436 218 F N 1.022 121.083 119.950 0.184 0.000 2.126 218 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 218 F C 2.224 178.083 175.800 0.098 0.000 1.096 218 F CA 0.879 58.992 58.000 0.188 0.000 1.255 218 F CB -0.845 38.382 39.000 0.378 0.000 0.997 218 F HN 0.086 nan 8.300 nan 0.000 0.479 219 L N -1.247 120.175 121.223 0.331 0.000 2.027 219 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 219 L C 2.138 178.977 176.870 -0.052 0.000 1.074 219 L CA 1.752 56.647 54.840 0.091 0.000 0.745 219 L CB -0.846 41.202 42.059 -0.018 0.000 0.898 219 L HN -0.014 nan 8.230 nan 0.000 0.433 220 F N -1.822 118.174 119.950 0.077 0.000 2.259 220 F HA -0.096 4.430 4.527 -0.001 0.000 0.298 220 F C 2.325 178.128 175.800 0.005 0.000 1.088 220 F CA 1.109 59.136 58.000 0.044 0.000 1.358 220 F CB -0.646 38.393 39.000 0.065 0.000 1.040 220 F HN -0.167 nan 8.300 nan 0.000 0.505 221 V N -0.182 119.823 119.914 0.152 0.000 2.427 221 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 221 V C 2.553 178.580 176.094 -0.112 0.000 1.051 221 V CA 1.688 63.966 62.300 -0.036 0.000 1.048 221 V CB -1.153 30.534 31.823 -0.226 0.000 0.666 221 V HN 0.342 nan 8.190 nan 0.000 0.456 222 A N -0.098 122.643 122.820 -0.131 0.000 1.940 222 A HA -0.322 3.998 4.320 -0.001 0.000 0.219 222 A C 2.023 179.338 177.584 -0.448 0.000 1.176 222 A CA 2.329 54.190 52.037 -0.293 0.000 0.631 222 A CB -0.690 18.191 19.000 -0.198 0.000 0.814 222 A HN 0.607 nan 8.150 nan 0.000 0.446 223 D N -0.555 119.747 120.400 -0.164 0.000 2.117 223 D HA 0.005 4.644 4.640 -0.001 0.000 0.198 223 D C 2.051 178.318 176.300 -0.054 0.000 0.982 223 D CA 1.431 55.400 54.000 -0.052 0.000 0.828 223 D CB -0.159 40.640 40.800 -0.003 0.000 0.967 223 D HN 0.353 nan 8.370 nan 0.000 0.464 224 A N -0.076 122.729 122.820 -0.026 0.000 1.969 224 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 224 A C 2.288 179.909 177.584 0.061 0.000 1.169 224 A CA 0.862 52.927 52.037 0.047 0.000 0.635 224 A CB -0.663 18.404 19.000 0.112 0.000 0.810 224 A HN 0.356 nan 8.150 nan 0.000 0.445 225 I N -1.255 119.281 120.570 -0.057 0.000 2.252 225 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 225 I C 2.361 178.481 176.117 0.004 0.000 1.102 225 I CA 1.500 62.771 61.300 -0.048 0.000 1.385 225 I CB -0.510 37.411 38.000 -0.133 0.000 1.064 225 I HN 0.468 nan 8.210 nan 0.000 0.414 226 H N 0.209 119.299 119.070 0.034 0.000 2.353 226 H HA -0.191 4.364 4.556 -0.001 0.000 0.300 226 H C 2.293 177.633 175.328 0.020 0.000 1.090 226 H CA 1.385 57.443 56.048 0.017 0.000 1.327 226 H CB 0.054 29.813 29.762 -0.004 0.000 1.383 226 H HN 0.198 nan 8.280 nan 0.000 0.508 227 K N 0.882 121.353 120.400 0.119 0.000 2.001 227 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 227 K C 2.492 179.184 176.600 0.153 0.000 1.048 227 K CA 1.581 57.893 56.287 0.042 0.000 0.932 227 K CB 0.010 32.398 32.500 -0.186 0.000 0.715 227 K HN 0.300 nan 8.250 nan 0.000 0.437 228 S N 0.190 116.046 115.700 0.260 0.000 2.423 228 S HA -0.204 4.265 4.470 -0.001 0.000 0.231 228 S C 2.068 176.750 174.600 0.138 0.000 1.014 228 S CA 1.158 59.527 58.200 0.282 0.000 0.965 228 S CB -0.192 63.156 63.200 0.247 0.000 0.785 228 S HN 0.469 nan 8.310 nan 0.000 0.495 229 Q N 1.134 121.002 119.800 0.113 0.000 2.137 229 Q HA 0.134 4.473 4.340 -0.001 0.000 0.198 229 Q C 2.228 178.270 176.000 0.069 0.000 0.960 229 Q CA 1.036 56.885 55.803 0.077 0.000 0.847 229 Q CB -0.510 28.279 28.738 0.084 0.000 0.915 229 Q HN 0.702 nan 8.270 nan 0.000 0.448 230 A N 0.606 123.474 122.820 0.080 0.000 2.015 230 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 230 A C 1.695 179.313 177.584 0.056 0.000 1.163 230 A CA 1.442 53.513 52.037 0.057 0.000 0.646 230 A CB -0.317 18.714 19.000 0.051 0.000 0.806 230 A HN 0.490 nan 8.150 nan 0.000 0.448 231 E N -0.939 119.308 120.200 0.078 0.000 2.122 231 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 231 E C 2.126 178.758 176.600 0.052 0.000 0.977 231 E CA 1.482 57.928 56.400 0.077 0.000 0.820 231 E CB -0.066 29.711 29.700 0.127 0.000 0.770 231 E HN 0.817 nan 8.360 nan 0.000 0.462 232 T N -3.531 111.050 114.554 0.045 0.000 3.040 232 T HA 0.214 4.564 4.350 -0.001 0.000 0.252 232 T C 1.616 176.325 174.700 0.015 0.000 1.064 232 T CA 0.515 62.629 62.100 0.023 0.000 1.110 232 T CB 0.636 69.510 68.868 0.009 0.000 0.921 232 T HN 0.244 nan 8.240 nan 0.000 0.480 233 G N 1.285 110.097 108.800 0.019 0.000 2.148 233 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.254 233 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.254 233 G C -0.305 174.597 174.900 0.004 0.000 0.981 233 G CA 0.202 45.310 45.100 0.013 0.000 0.670 233 G HN 0.679 nan 8.290 nan 0.000 0.528 234 E N -0.204 119.994 120.200 -0.004 0.000 2.238 234 E HA 0.534 4.883 4.350 -0.001 0.000 0.267 234 E C 0.395 176.979 176.600 -0.026 0.000 0.887 234 E CA -1.300 55.086 56.400 -0.023 0.000 0.769 234 E CB 1.529 31.203 29.700 -0.043 0.000 1.187 234 E HN 0.059 nan 8.360 nan 0.000 0.416 235 I N 3.017 123.565 120.570 -0.037 0.000 2.741 235 I HA -0.064 4.106 4.170 -0.001 0.000 0.288 235 I C 0.322 176.402 176.117 -0.062 0.000 1.192 235 I CA 0.696 61.978 61.300 -0.030 0.000 1.426 235 I CB -0.576 37.404 38.000 -0.033 0.000 1.367 235 I HN 0.337 nan 8.210 nan 0.000 0.563 236 K N 4.677 125.069 120.400 -0.014 0.000 2.281 236 K HA 0.816 5.135 4.320 -0.001 0.000 0.242 236 K C 0.002 176.649 176.600 0.078 0.000 0.971 236 K CA -0.685 55.592 56.287 -0.016 0.000 0.834 236 K CB 2.504 35.013 32.500 0.015 0.000 1.181 236 K HN 0.803 nan 8.250 nan 0.000 0.435 237 G N 0.295 109.197 108.800 0.170 0.000 2.704 237 G HA2 0.380 4.340 3.960 -0.001 0.000 0.293 237 G HA3 0.380 4.340 3.960 -0.001 0.000 0.293 237 G C -1.918 173.173 174.900 0.318 0.000 1.421 237 G CA -0.276 45.020 45.100 0.327 0.000 0.870 237 G HN 0.545 nan 8.290 nan 0.000 0.492 238 H N 0.674 119.809 119.070 0.109 0.000 3.018 238 H HA 0.303 4.859 4.556 -0.001 0.000 0.334 238 H C -1.071 174.271 175.328 0.023 0.000 0.983 238 H CA -0.596 55.437 56.048 -0.026 0.000 1.363 238 H CB 1.206 30.955 29.762 -0.022 0.000 1.668 238 H HN 0.385 nan 8.280 nan 0.000 0.513 239 Y N 5.713 125.820 120.300 -0.322 0.000 2.730 239 Y HA 0.093 4.643 4.550 -0.001 0.000 0.357 239 Y C 0.729 176.583 175.900 -0.076 0.000 1.167 239 Y CA -0.563 57.409 58.100 -0.213 0.000 1.579 239 Y CB -0.768 37.504 38.460 -0.313 0.000 1.262 239 Y HN 0.334 nan 8.280 nan 0.000 0.510 240 L N 3.673 124.981 121.223 0.141 0.000 2.361 240 L HA 0.113 4.452 4.340 -0.001 0.000 0.278 240 L C 0.793 177.724 176.870 0.102 0.000 1.113 240 L CA 0.140 54.980 54.840 -0.000 0.000 0.849 240 L CB 0.262 41.952 42.059 -0.616 0.000 1.155 240 L HN 0.619 nan 8.230 nan 0.000 0.452 241 N N 2.243 121.069 118.700 0.210 0.000 2.420 241 N HA 0.118 4.857 4.740 -0.001 0.000 0.262 241 N C 0.725 176.395 175.510 0.266 0.000 1.144 241 N CA -0.409 52.772 53.050 0.217 0.000 0.952 241 N CB 0.932 39.525 38.487 0.176 0.000 1.081 241 N HN 0.531 nan 8.380 nan 0.000 0.480 242 V N 0.426 120.453 119.914 0.188 0.000 3.483 242 V HA 0.175 4.294 4.120 -0.001 0.000 0.301 242 V C 0.612 176.715 176.094 0.016 0.000 1.389 242 V CA -0.264 62.080 62.300 0.073 0.000 1.101 242 V CB -0.157 31.658 31.823 -0.013 0.000 0.971 242 V HN 0.403 nan 8.190 nan 0.000 0.434 243 T N 3.134 117.770 114.554 0.136 0.000 2.908 243 T HA 0.549 4.898 4.350 -0.001 0.000 0.301 243 T C 0.173 174.867 174.700 -0.009 0.000 1.019 243 T CA 1.126 63.308 62.100 0.137 0.000 1.152 243 T CB 0.672 69.565 68.868 0.041 0.000 0.966 243 T HN 1.084 nan 8.240 nan 0.000 0.540 244 A N 4.724 127.530 122.820 -0.024 0.000 2.602 244 A HA 0.750 5.070 4.320 -0.001 0.000 0.290 244 A C -1.818 175.727 177.584 -0.066 0.000 1.114 244 A CA -1.278 50.701 52.037 -0.097 0.000 0.683 244 A CB 0.704 19.595 19.000 -0.181 0.000 1.281 244 A HN 0.534 nan 8.150 nan 0.000 0.416 245 P HA 0.017 nan 4.420 nan 0.000 0.219 245 P C 0.597 177.868 177.300 -0.048 0.000 1.150 245 P CA 1.981 65.048 63.100 -0.054 0.000 0.814 245 P CB -0.055 31.613 31.700 -0.053 0.000 0.787 246 T N -4.893 109.623 114.554 -0.064 0.000 2.864 246 T HA 0.321 4.670 4.350 -0.001 0.000 0.299 246 T C 1.049 175.704 174.700 -0.074 0.000 1.166 246 T CA -0.673 61.393 62.100 -0.056 0.000 1.007 246 T CB 1.046 69.881 68.868 -0.055 0.000 1.219 246 T HN -0.087 nan 8.240 nan 0.000 0.506 247 C N 0.800 120.063 119.300 -0.061 0.000 2.413 247 C HA -0.061 4.399 4.460 -0.001 0.000 0.276 247 C C 2.643 177.565 174.990 -0.114 0.000 1.236 247 C CA 1.168 60.138 59.018 -0.080 0.000 1.735 247 C CB -1.416 26.293 27.740 -0.052 0.000 2.031 247 C HN 1.026 nan 8.230 nan 0.000 0.474 248 E N 0.919 121.063 120.200 -0.093 0.000 2.097 248 E HA -0.219 4.130 4.350 -0.001 0.000 0.196 248 E C 2.022 178.536 176.600 -0.144 0.000 1.000 248 E CA 1.555 57.895 56.400 -0.099 0.000 0.804 248 E CB -0.330 29.329 29.700 -0.068 0.000 0.740 248 E HN 0.624 nan 8.360 nan 0.000 0.454 249 E N 0.054 120.159 120.200 -0.159 0.000 2.158 249 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 249 E C 1.852 178.252 176.600 -0.335 0.000 0.982 249 E CA 0.761 57.025 56.400 -0.227 0.000 0.823 249 E CB -0.110 29.474 29.700 -0.194 0.000 0.766 249 E HN 0.302 nan 8.360 nan 0.000 0.468 250 M N -0.660 118.777 119.600 -0.272 0.000 2.132 250 M HA -0.151 4.328 4.480 -0.001 0.000 0.263 250 M C 1.474 177.545 176.300 -0.382 0.000 1.065 250 M CA 1.281 56.399 55.300 -0.304 0.000 1.122 250 M CB -0.016 32.444 32.600 -0.233 0.000 1.365 250 M HN 0.153 nan 8.290 nan 0.000 0.411 251 M N 0.416 119.806 119.600 -0.350 0.000 2.132 251 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 251 M C 2.103 178.179 176.300 -0.375 0.000 1.065 251 M CA 1.571 56.614 55.300 -0.429 0.000 1.122 251 M CB -1.328 31.099 32.600 -0.288 0.000 1.365 251 M HN 0.332 nan 8.290 nan 0.000 0.411 252 K N 0.337 120.573 120.400 -0.274 0.000 2.020 252 K HA -0.213 4.106 4.320 -0.001 0.000 0.212 252 K C 2.081 178.529 176.600 -0.253 0.000 1.050 252 K CA 1.759 57.929 56.287 -0.194 0.000 0.929 252 K CB -0.017 32.376 32.500 -0.179 0.000 0.714 252 K HN 0.269 nan 8.250 nan 0.000 0.443 253 R N -0.234 119.916 120.500 -0.583 0.000 2.075 253 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 253 R C 2.433 178.682 176.300 -0.084 0.000 1.126 253 R CA 1.219 56.894 56.100 -0.709 0.000 0.963 253 R CB -0.377 29.342 30.300 -0.968 0.000 0.858 253 R HN 0.259 nan 8.270 nan 0.000 0.435 254 A N 0.983 123.636 122.820 -0.279 0.000 1.933 254 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 254 A C 1.974 179.415 177.584 -0.237 0.000 1.175 254 A CA 1.583 53.374 52.037 -0.411 0.000 0.628 254 A CB -0.296 18.040 19.000 -1.107 0.000 0.814 254 A HN 0.247 nan 8.150 nan 0.000 0.444 255 E N -1.341 118.773 120.200 -0.143 0.000 2.072 255 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 255 E C 1.582 178.392 176.600 0.350 0.000 0.985 255 E CA 1.076 57.586 56.400 0.183 0.000 0.801 255 E CB -0.286 29.495 29.700 0.136 0.000 0.750 255 E HN 0.577 nan 8.360 nan 0.000 0.452 256 F N 0.508 120.599 119.950 0.235 0.000 2.259 256 F HA 0.033 4.559 4.527 -0.001 0.000 0.298 256 F C 1.919 177.955 175.800 0.394 0.000 1.088 256 F CA 1.123 59.316 58.000 0.322 0.000 1.358 256 F CB -0.613 38.634 39.000 0.412 0.000 1.040 256 F HN 0.062 nan 8.300 nan 0.000 0.505 257 A N 0.246 123.311 122.820 0.409 0.000 1.908 257 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 257 A C 2.410 180.076 177.584 0.138 0.000 1.181 257 A CA 1.869 54.031 52.037 0.210 0.000 0.627 257 A CB -0.819 18.316 19.000 0.224 0.000 0.818 257 A HN 0.379 nan 8.150 nan 0.000 0.445 258 K N -0.448 120.112 120.400 0.267 0.000 2.057 258 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 258 K C 2.065 178.744 176.600 0.131 0.000 1.049 258 K CA 1.622 58.054 56.287 0.243 0.000 0.931 258 K CB -0.183 32.549 32.500 0.387 0.000 0.714 258 K HN 0.656 nan 8.250 nan 0.000 0.440 259 E N 0.492 120.767 120.200 0.124 0.000 2.118 259 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 259 E C 1.785 178.370 176.600 -0.025 0.000 0.992 259 E CA 0.911 57.356 56.400 0.075 0.000 0.804 259 E CB 0.041 29.834 29.700 0.156 0.000 0.741 259 E HN 0.304 nan 8.360 nan 0.000 0.458 260 L N -0.656 120.482 121.223 -0.142 0.000 2.599 260 L HA 0.138 4.477 4.340 -0.001 0.000 0.230 260 L C 1.301 178.171 176.870 -0.001 0.000 1.141 260 L CA 0.377 55.137 54.840 -0.134 0.000 0.877 260 L CB 0.120 42.009 42.059 -0.283 0.000 1.009 260 L HN 0.347 nan 8.230 nan 0.000 0.447 261 G N 0.186 109.000 108.800 0.022 0.000 2.198 261 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.257 261 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.257 261 G C 0.250 175.183 174.900 0.056 0.000 1.042 261 G CA -0.219 44.913 45.100 0.053 0.000 0.791 261 G HN 0.102 nan 8.290 nan 0.000 0.502 262 M N 0.443 120.063 119.600 0.034 0.000 2.188 262 M HA 0.196 4.676 4.480 -0.001 0.000 0.354 262 M C -0.556 175.777 176.300 0.055 0.000 1.342 262 M CA -2.062 53.255 55.300 0.028 0.000 1.117 262 M CB 0.748 33.337 32.600 -0.018 0.000 1.670 262 M HN 0.040 nan 8.290 nan 0.000 0.466 263 P HA 0.150 nan 4.420 nan 0.000 0.231 263 P C 0.080 177.402 177.300 0.036 0.000 1.168 263 P CA 0.802 63.931 63.100 0.049 0.000 0.779 263 P CB 0.874 32.619 31.700 0.075 0.000 0.844 264 I N -0.172 120.436 120.570 0.062 0.000 2.722 264 I HA 0.364 4.533 4.170 -0.001 0.000 0.292 264 I C -1.003 175.150 176.117 0.059 0.000 1.267 264 I CA -1.497 59.820 61.300 0.029 0.000 1.036 264 I CB 2.246 40.247 38.000 0.002 0.000 1.281 264 I HN -0.251 nan 8.210 nan 0.000 0.423 265 I N 3.704 124.301 120.570 0.044 0.000 3.294 265 I HA 0.671 4.840 4.170 -0.001 0.000 0.311 265 I C -1.396 174.761 176.117 0.067 0.000 1.111 265 I CA -0.965 60.377 61.300 0.071 0.000 0.976 265 I CB 2.221 40.279 38.000 0.097 0.000 1.260 265 I HN 0.693 nan 8.210 nan 0.000 0.474 266 M N 1.881 121.556 119.600 0.125 0.000 2.446 266 M HA 0.475 4.954 4.480 -0.001 0.000 0.294 266 M C -2.016 174.417 176.300 0.222 0.000 1.158 266 M CA -0.356 55.053 55.300 0.181 0.000 0.899 266 M CB 2.229 34.975 32.600 0.243 0.000 1.687 266 M HN 0.837 nan 8.290 nan 0.000 0.455 267 H N 2.356 121.465 119.070 0.066 0.000 2.954 267 H HA 0.293 4.848 4.556 -0.001 0.000 0.361 267 H C -1.664 173.706 175.328 0.070 0.000 1.122 267 H CA -0.663 55.410 56.048 0.041 0.000 1.217 267 H CB 1.959 31.730 29.762 0.015 0.000 1.776 267 H HN 0.699 nan 8.280 nan 0.000 0.533 268 D N 5.677 125.834 120.400 -0.405 0.000 2.441 268 D HA 0.007 4.647 4.640 -0.001 0.000 0.221 268 D C 1.107 177.118 176.300 -0.481 0.000 1.156 268 D CA -0.146 53.675 54.000 -0.297 0.000 0.896 268 D CB 0.373 41.029 40.800 -0.240 0.000 1.028 268 D HN 0.454 nan 8.370 nan 0.000 0.509 269 F N 1.531 121.206 119.950 -0.458 0.000 2.407 269 F HA 0.024 4.550 4.527 -0.001 0.000 0.299 269 F C 1.303 176.798 175.800 -0.510 0.000 1.097 269 F CA 0.463 58.178 58.000 -0.474 0.000 1.422 269 F CB -0.270 38.489 39.000 -0.402 0.000 1.067 269 F HN 0.182 nan 8.300 nan 0.000 0.539 270 L N 0.532 121.122 121.223 -1.055 0.000 2.168 270 L HA -0.029 4.310 4.340 -0.001 0.000 0.203 270 L C 2.671 179.280 176.870 -0.435 0.000 1.078 270 L CA 1.388 55.704 54.840 -0.874 0.000 0.780 270 L CB -0.821 40.724 42.059 -0.858 0.000 0.939 270 L HN 0.361 nan 8.230 nan 0.000 0.451 271 T N -3.105 111.244 114.554 -0.342 0.000 3.023 271 T HA 0.070 4.419 4.350 -0.001 0.000 0.266 271 T C 1.730 176.323 174.700 -0.178 0.000 1.093 271 T CA 0.748 62.720 62.100 -0.214 0.000 1.129 271 T CB 0.092 68.858 68.868 -0.169 0.000 0.899 271 T HN 0.235 nan 8.240 nan 0.000 0.491 272 A N 1.492 124.178 122.820 -0.224 0.000 1.887 272 A HA 0.655 4.975 4.320 -0.001 0.000 0.212 272 A C 1.458 179.000 177.584 -0.070 0.000 1.198 272 A CA 0.698 52.661 52.037 -0.123 0.000 0.628 272 A CB -0.663 18.256 19.000 -0.135 0.000 0.847 272 A HN 1.424 nan 8.150 nan 0.000 0.449 273 G N -3.166 105.555 108.800 -0.131 0.000 2.406 273 G HA2 0.111 4.070 3.960 -0.001 0.000 0.680 273 G HA3 0.111 4.070 3.960 -0.001 0.000 0.680 273 G C -0.095 174.799 174.900 -0.009 0.000 1.338 273 G CA -0.249 44.801 45.100 -0.083 0.000 0.941 273 G HN 0.192 nan 8.290 nan 0.000 0.633 274 F N 0.399 120.407 119.950 0.097 0.000 2.325 274 F HA 0.061 4.587 4.527 -0.001 0.000 0.299 274 F C 3.031 178.901 175.800 0.117 0.000 1.090 274 F CA 2.157 60.242 58.000 0.140 0.000 1.392 274 F CB -0.147 38.928 39.000 0.126 0.000 1.053 274 F HN 0.524 nan 8.300 nan 0.000 0.521 275 T N -0.451 114.257 114.554 0.256 0.000 2.777 275 T HA -0.133 4.217 4.350 -0.001 0.000 0.266 275 T C 2.314 177.087 174.700 0.123 0.000 1.040 275 T CA 1.294 63.492 62.100 0.162 0.000 1.141 275 T CB -0.530 68.404 68.868 0.110 0.000 0.868 275 T HN 0.261 nan 8.240 nan 0.000 0.444 276 A N 1.912 124.801 122.820 0.115 0.000 1.930 276 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 276 A C 2.256 179.883 177.584 0.072 0.000 1.175 276 A CA 1.399 53.482 52.037 0.077 0.000 0.627 276 A CB -0.713 18.347 19.000 0.099 0.000 0.815 276 A HN 0.507 nan 8.150 nan 0.000 0.443 277 N N -0.416 118.402 118.700 0.197 0.000 2.120 277 N HA -0.137 4.602 4.740 -0.001 0.000 0.188 277 N C 1.576 177.165 175.510 0.131 0.000 1.024 277 N CA 1.978 55.150 53.050 0.204 0.000 0.852 277 N CB -0.130 38.524 38.487 0.278 0.000 1.003 277 N HN 0.420 nan 8.380 nan 0.000 0.424 278 T N -0.114 114.542 114.554 0.169 0.000 2.821 278 T HA -0.074 4.275 4.350 -0.001 0.000 0.267 278 T C 1.824 176.580 174.700 0.092 0.000 1.046 278 T CA 1.474 63.661 62.100 0.144 0.000 1.139 278 T CB -0.552 68.415 68.868 0.166 0.000 0.871 278 T HN 0.298 nan 8.240 nan 0.000 0.454 279 T N 2.250 116.847 114.554 0.071 0.000 2.665 279 T HA -0.089 4.260 4.350 -0.001 0.000 0.268 279 T C 1.853 176.593 174.700 0.067 0.000 1.035 279 T CA 1.042 63.174 62.100 0.053 0.000 1.151 279 T CB -0.453 68.424 68.868 0.016 0.000 0.862 279 T HN 0.109 nan 8.240 nan 0.000 0.438 280 L N 1.006 122.231 121.223 0.003 0.000 2.093 280 L HA 0.176 4.515 4.340 -0.001 0.000 0.208 280 L C 2.577 179.524 176.870 0.129 0.000 1.085 280 L CA 1.709 56.550 54.840 0.003 0.000 0.755 280 L CB -0.974 40.946 42.059 -0.232 0.000 0.904 280 L HN 0.218 nan 8.230 nan 0.000 0.435 281 A N -0.751 122.117 122.820 0.079 0.000 1.933 281 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 281 A C 2.266 179.885 177.584 0.057 0.000 1.175 281 A CA 1.519 53.595 52.037 0.065 0.000 0.628 281 A CB -0.426 18.601 19.000 0.044 0.000 0.814 281 A HN 0.373 nan 8.150 nan 0.000 0.444 282 K N -1.382 119.063 120.400 0.076 0.000 2.002 282 K HA -0.203 4.116 4.320 -0.001 0.000 0.209 282 K C 1.764 178.402 176.600 0.063 0.000 1.048 282 K CA 1.448 57.767 56.287 0.053 0.000 0.930 282 K CB -0.614 31.924 32.500 0.064 0.000 0.714 282 K HN 0.727 nan 8.250 nan 0.000 0.438 283 W N 1.848 123.134 121.300 -0.023 0.000 2.301 283 W HA -0.335 4.325 4.660 -0.001 0.000 0.325 283 W C 2.319 178.837 176.519 -0.002 0.000 1.250 283 W CA 1.950 59.286 57.345 -0.013 0.000 1.261 283 W CB -0.739 28.709 29.460 -0.021 0.000 1.157 283 W HN 0.084 nan 8.180 nan 0.000 0.473 284 C N 0.143 119.548 119.300 0.174 0.000 2.396 284 C HA -0.251 4.208 4.460 -0.001 0.000 0.277 284 C C 2.677 177.598 174.990 -0.115 0.000 1.231 284 C CA 1.594 60.626 59.018 0.023 0.000 1.775 284 C CB -1.689 26.163 27.740 0.187 0.000 2.036 284 C HN 0.470 nan 8.230 nan 0.000 0.484 285 R N 1.385 121.796 120.500 -0.149 0.000 2.075 285 R HA -0.074 4.265 4.340 -0.001 0.000 0.232 285 R C 1.598 177.791 176.300 -0.180 0.000 1.126 285 R CA 1.817 57.788 56.100 -0.215 0.000 0.963 285 R CB -0.709 29.483 30.300 -0.180 0.000 0.858 285 R HN 0.444 nan 8.270 nan 0.000 0.435 286 D N -0.380 119.886 120.400 -0.224 0.000 2.317 286 D HA -0.025 4.614 4.640 -0.001 0.000 0.211 286 D C 0.424 176.537 176.300 -0.312 0.000 0.966 286 D CA 0.786 54.647 54.000 -0.232 0.000 0.876 286 D CB 0.067 40.734 40.800 -0.221 0.000 0.927 286 D HN 0.320 nan 8.370 nan 0.000 0.519 287 N N -0.578 117.835 118.700 -0.479 0.000 2.177 287 N HA 0.094 4.833 4.740 -0.001 0.000 0.218 287 N C 0.879 176.219 175.510 -0.283 0.000 1.182 287 N CA 0.305 53.043 53.050 -0.521 0.000 0.882 287 N CB 1.783 39.586 38.487 -1.140 0.000 1.052 287 N HN 0.045 nan 8.380 nan 0.000 0.519 288 G N 1.290 110.021 108.800 -0.116 0.000 2.225 288 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.267 288 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.267 288 G C -0.065 174.810 174.900 -0.042 0.000 1.024 288 G CA 0.308 45.426 45.100 0.031 0.000 0.784 288 G HN 0.167 nan 8.290 nan 0.000 0.507 289 V N 0.832 120.754 119.914 0.013 0.000 2.472 289 V HA 0.570 4.690 4.120 -0.001 0.000 0.290 289 V C 1.032 177.183 176.094 0.095 0.000 1.037 289 V CA -0.851 61.477 62.300 0.047 0.000 0.908 289 V CB 1.725 33.658 31.823 0.184 0.000 0.985 289 V HN 0.327 nan 8.190 nan 0.000 0.454 290 L N 4.542 125.736 121.223 -0.047 0.000 2.417 290 L HA 0.382 4.721 4.340 -0.001 0.000 0.268 290 L C -0.396 176.435 176.870 -0.065 0.000 1.158 290 L CA -0.303 54.495 54.840 -0.069 0.000 0.819 290 L CB 0.858 42.799 42.059 -0.197 0.000 1.112 290 L HN 0.434 nan 8.230 nan 0.000 0.458 291 L N 2.821 123.980 121.223 -0.107 0.000 2.353 291 L HA 0.322 4.662 4.340 -0.001 0.000 0.270 291 L C -0.547 176.161 176.870 -0.269 0.000 1.003 291 L CA -0.288 54.486 54.840 -0.111 0.000 0.862 291 L CB 0.741 42.789 42.059 -0.018 0.000 1.221 291 L HN 0.442 nan 8.230 nan 0.000 0.430 292 H N 5.357 124.166 119.070 -0.435 0.000 2.742 292 H HA 0.449 5.004 4.556 -0.001 0.000 0.302 292 H C -0.665 174.567 175.328 -0.161 0.000 1.069 292 H CA -0.305 55.460 56.048 -0.473 0.000 1.446 292 H CB 0.564 29.816 29.762 -0.851 0.000 1.462 292 H HN 0.462 nan 8.280 nan 0.000 0.499 293 I N 6.234 126.504 120.570 -0.500 0.000 2.307 293 I HA 0.083 4.253 4.170 -0.001 0.000 0.289 293 I C 0.493 176.415 176.117 -0.325 0.000 1.021 293 I CA -0.306 60.814 61.300 -0.300 0.000 1.224 293 I CB 0.348 38.160 38.000 -0.315 0.000 1.376 293 I HN 0.707 nan 8.210 nan 0.000 0.470 294 H N 7.578 126.510 119.070 -0.230 0.000 2.562 294 H HA 0.244 4.799 4.556 -0.001 0.000 0.352 294 H C 0.619 175.893 175.328 -0.091 0.000 1.125 294 H CA -0.035 55.825 56.048 -0.314 0.000 1.379 294 H CB 1.432 31.059 29.762 -0.225 0.000 1.464 294 H HN 0.531 nan 8.280 nan 0.000 0.563 295 R N 2.879 123.220 120.500 -0.264 0.000 2.696 295 R HA 0.346 4.685 4.340 -0.001 0.000 0.355 295 R C -0.470 175.821 176.300 -0.015 0.000 1.138 295 R CA -0.559 55.552 56.100 0.019 0.000 1.059 295 R CB -0.124 30.122 30.300 -0.090 0.000 1.380 295 R HN 0.379 nan 8.270 nan 0.000 0.578 296 A N 1.607 124.483 122.820 0.093 0.000 2.565 296 A HA 0.129 4.448 4.320 -0.001 0.000 0.237 296 A C 0.958 178.531 177.584 -0.017 0.000 1.053 296 A CA 0.787 52.878 52.037 0.089 0.000 0.755 296 A CB -0.089 18.947 19.000 0.060 0.000 0.980 296 A HN 0.849 nan 8.150 nan 0.000 0.506 297 M N 0.600 120.206 119.600 0.012 0.000 3.019 297 M HA -0.286 4.194 4.480 -0.001 0.000 0.214 297 M C 0.885 177.143 176.300 -0.069 0.000 0.577 297 M CA 1.868 57.133 55.300 -0.058 0.000 0.816 297 M CB -2.125 30.412 32.600 -0.106 0.000 2.911 297 M HN 1.236 nan 8.290 nan 0.000 0.302 298 H N -0.980 118.031 119.070 -0.100 0.000 2.421 298 H HA 0.305 4.861 4.556 -0.001 0.000 0.298 298 H C 1.738 177.047 175.328 -0.031 0.000 1.087 298 H CA 1.700 57.720 56.048 -0.046 0.000 1.330 298 H CB -0.372 29.414 29.762 0.040 0.000 1.388 298 H HN 0.495 nan 8.280 nan 0.000 0.526 299 A N 1.154 123.439 122.820 -0.891 0.000 2.119 299 A HA 0.028 4.347 4.320 -0.001 0.000 0.217 299 A C 2.420 179.845 177.584 -0.264 0.000 1.153 299 A CA 0.896 52.552 52.037 -0.634 0.000 0.692 299 A CB -0.618 18.038 19.000 -0.573 0.000 0.799 299 A HN 0.351 nan 8.150 nan 0.000 0.458 300 V N -0.167 119.633 119.914 -0.190 0.000 2.490 300 V HA -0.238 3.881 4.120 -0.001 0.000 0.250 300 V C 2.173 178.228 176.094 -0.066 0.000 1.061 300 V CA 2.087 64.327 62.300 -0.100 0.000 1.064 300 V CB -0.508 31.267 31.823 -0.081 0.000 0.670 300 V HN 0.617 nan 8.190 nan 0.000 0.461 301 I N 0.392 120.913 120.570 -0.081 0.000 3.172 301 I HA 0.008 4.177 4.170 -0.001 0.000 0.278 301 I C 1.707 177.811 176.117 -0.022 0.000 1.174 301 I CA 0.987 62.261 61.300 -0.043 0.000 1.445 301 I CB -0.063 37.908 38.000 -0.047 0.000 1.175 301 I HN 0.437 nan 8.210 nan 0.000 0.447 302 D N -0.161 120.206 120.400 -0.054 0.000 2.398 302 D HA -0.032 4.607 4.640 -0.001 0.000 0.210 302 D C 1.803 178.075 176.300 -0.047 0.000 1.094 302 D CA -0.031 53.949 54.000 -0.034 0.000 0.839 302 D CB 0.024 40.830 40.800 0.009 0.000 0.963 302 D HN -0.000 nan 8.370 nan 0.000 0.506 303 R N 0.230 120.697 120.500 -0.054 0.000 2.057 303 R HA 0.029 4.368 4.340 -0.001 0.000 0.229 303 R C 0.452 176.772 176.300 0.033 0.000 1.136 303 R CA 1.032 57.112 56.100 -0.032 0.000 0.952 303 R CB -0.077 30.188 30.300 -0.059 0.000 0.848 303 R HN 0.024 nan 8.270 nan 0.000 0.430 304 Q N 1.055 120.888 119.800 0.055 0.000 2.288 304 Q HA 0.044 4.383 4.340 -0.001 0.000 0.254 304 Q C 0.339 176.414 176.000 0.126 0.000 0.932 304 Q CA 0.094 55.949 55.803 0.087 0.000 0.902 304 Q CB 1.336 30.129 28.738 0.092 0.000 1.203 304 Q HN 0.482 nan 8.270 nan 0.000 0.415 305 R N 1.371 121.950 120.500 0.132 0.000 2.313 305 R HA -0.012 4.327 4.340 -0.001 0.000 0.199 305 R C 0.670 177.061 176.300 0.151 0.000 0.958 305 R CA 0.737 56.934 56.100 0.161 0.000 1.047 305 R CB 0.077 30.473 30.300 0.161 0.000 0.955 305 R HN 0.493 nan 8.270 nan 0.000 0.481 306 N N 0.048 118.836 118.700 0.145 0.000 2.415 306 N HA -0.105 4.634 4.740 -0.001 0.000 0.174 306 N C -0.453 175.196 175.510 0.232 0.000 1.048 306 N CA 0.424 53.562 53.050 0.147 0.000 0.895 306 N CB 0.066 38.622 38.487 0.115 0.000 1.036 306 N HN 0.390 nan 8.380 nan 0.000 0.449 307 H N -1.038 118.117 119.070 0.141 0.000 2.966 307 H HA 0.577 5.132 4.556 -0.001 0.000 0.347 307 H C -0.009 175.450 175.328 0.219 0.000 1.048 307 H CA 0.437 56.605 56.048 0.200 0.000 1.295 307 H CB 1.438 31.300 29.762 0.168 0.000 1.744 307 H HN 0.402 nan 8.280 nan 0.000 0.513 308 G N 2.753 111.578 108.800 0.043 0.000 2.250 308 G HA2 0.021 3.980 3.960 -0.001 0.000 0.252 308 G HA3 0.021 3.980 3.960 -0.001 0.000 0.252 308 G C -1.622 173.343 174.900 0.107 0.000 1.325 308 G CA -0.364 44.768 45.100 0.053 0.000 1.091 308 G HN 0.619 nan 8.290 nan 0.000 0.476 309 I N 1.074 121.665 120.570 0.035 0.000 2.466 309 I HA 0.321 4.490 4.170 -0.001 0.000 0.289 309 I C 0.163 176.326 176.117 0.076 0.000 1.026 309 I CA -0.871 60.459 61.300 0.049 0.000 1.078 309 I CB 1.930 39.916 38.000 -0.025 0.000 1.249 309 I HN 0.646 nan 8.210 nan 0.000 0.429 310 H N 5.044 124.147 119.070 0.055 0.000 2.815 310 H HA -0.019 4.537 4.556 -0.001 0.000 0.350 310 H C 0.475 175.858 175.328 0.092 0.000 1.080 310 H CA 0.668 56.779 56.048 0.106 0.000 1.433 310 H CB 1.019 30.847 29.762 0.109 0.000 1.432 310 H HN 0.638 nan 8.280 nan 0.000 0.592 311 F N 5.400 125.127 119.950 -0.372 0.000 2.192 311 F HA -0.224 4.302 4.527 -0.001 0.000 0.301 311 F C 2.595 178.339 175.800 -0.093 0.000 1.079 311 F CA 1.790 59.668 58.000 -0.204 0.000 1.303 311 F CB -0.075 38.709 39.000 -0.360 0.000 1.024 311 F HN 0.675 nan 8.300 nan 0.000 0.494 312 R N -0.440 120.136 120.500 0.126 0.000 2.189 312 R HA -0.079 4.260 4.340 -0.001 0.000 0.223 312 R C 1.689 177.986 176.300 -0.005 0.000 1.092 312 R CA 1.628 57.771 56.100 0.072 0.000 0.989 312 R CB -1.179 29.370 30.300 0.416 0.000 0.876 312 R HN 0.308 nan 8.270 nan 0.000 0.457 313 V N 1.913 121.832 119.914 0.007 0.000 2.323 313 V HA -0.160 3.959 4.120 -0.001 0.000 0.244 313 V C 2.486 178.551 176.094 -0.049 0.000 1.041 313 V CA 1.421 63.726 62.300 0.009 0.000 1.025 313 V CB -0.391 31.430 31.823 -0.004 0.000 0.656 313 V HN 0.272 nan 8.190 nan 0.000 0.451 314 L N 0.269 121.392 121.223 -0.167 0.000 2.127 314 L HA -0.167 4.172 4.340 -0.001 0.000 0.211 314 L C 2.687 179.399 176.870 -0.263 0.000 1.089 314 L CA 1.557 56.333 54.840 -0.105 0.000 0.757 314 L CB -0.849 41.149 42.059 -0.101 0.000 0.899 314 L HN 0.384 nan 8.230 nan 0.000 0.434 315 A N 0.319 122.748 122.820 -0.652 0.000 1.897 315 A HA -0.167 4.152 4.320 -0.001 0.000 0.215 315 A C 2.331 179.788 177.584 -0.212 0.000 1.181 315 A CA 1.323 53.037 52.037 -0.539 0.000 0.620 315 A CB -0.235 18.399 19.000 -0.610 0.000 0.821 315 A HN 0.294 nan 8.150 nan 0.000 0.443 316 K N -0.759 119.614 120.400 -0.045 0.000 2.097 316 K HA -0.120 4.199 4.320 -0.001 0.000 0.206 316 K C 1.987 178.553 176.600 -0.056 0.000 1.049 316 K CA 1.374 57.755 56.287 0.156 0.000 0.933 316 K CB -0.448 32.291 32.500 0.399 0.000 0.717 316 K HN 0.536 nan 8.250 nan 0.000 0.442 317 C N 0.616 119.864 119.300 -0.087 0.000 2.440 317 C HA -0.056 4.404 4.460 -0.001 0.000 0.278 317 C C 2.523 177.442 174.990 -0.119 0.000 1.295 317 C CA 0.276 59.161 59.018 -0.221 0.000 1.738 317 C CB -0.607 27.035 27.740 -0.163 0.000 1.987 317 C HN 0.451 nan 8.230 nan 0.000 0.492 318 L N 1.212 122.411 121.223 -0.039 0.000 2.109 318 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 318 L C 2.712 179.455 176.870 -0.211 0.000 1.086 318 L CA 1.656 56.406 54.840 -0.150 0.000 0.760 318 L CB -0.568 41.145 42.059 -0.578 0.000 0.910 318 L HN 0.244 nan 8.230 nan 0.000 0.437 319 R N -0.472 119.874 120.500 -0.257 0.000 2.127 319 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 319 R C 2.000 178.154 176.300 -0.244 0.000 1.134 319 R CA 1.817 57.730 56.100 -0.313 0.000 0.975 319 R CB -0.432 29.534 30.300 -0.557 0.000 0.865 319 R HN 0.453 nan 8.270 nan 0.000 0.447 320 L N -0.635 120.421 121.223 -0.278 0.000 2.068 320 L HA -0.049 4.291 4.340 -0.001 0.000 0.204 320 L C 2.604 179.392 176.870 -0.136 0.000 1.076 320 L CA 1.416 56.008 54.840 -0.413 0.000 0.753 320 L CB -0.596 40.811 42.059 -1.088 0.000 0.910 320 L HN 0.283 nan 8.230 nan 0.000 0.439 321 S N -0.702 114.966 115.700 -0.053 0.000 2.368 321 S HA 0.024 4.493 4.470 -0.001 0.000 0.225 321 S C 0.855 175.511 174.600 0.094 0.000 1.030 321 S CA 1.077 59.366 58.200 0.147 0.000 0.999 321 S CB -0.231 63.162 63.200 0.322 0.000 0.844 321 S HN 0.587 nan 8.310 nan 0.000 0.459 322 G N -1.434 107.367 108.800 0.000 0.000 3.088 322 G HA2 0.425 4.384 3.960 -0.001 0.000 0.620 322 G HA3 0.425 4.384 3.960 -0.001 0.000 0.620 322 G C -0.358 174.496 174.900 -0.076 0.000 1.375 322 G CA -0.445 44.633 45.100 -0.037 0.000 1.016 322 G HN 0.973 nan 8.290 nan 0.000 0.590 323 G N 0.531 109.259 108.800 -0.120 0.000 2.702 323 G HA2 0.614 4.573 3.960 -0.001 0.000 0.296 323 G HA3 0.614 4.573 3.960 -0.001 0.000 0.296 323 G C -0.131 174.693 174.900 -0.127 0.000 1.463 323 G CA 0.099 45.117 45.100 -0.137 0.000 0.890 323 G HN 0.308 nan 8.290 nan 0.000 0.534 324 D N -0.406 119.920 120.400 -0.124 0.000 2.240 324 D HA 0.077 4.716 4.640 -0.001 0.000 0.206 324 D C 0.400 176.718 176.300 0.030 0.000 0.963 324 D CA 1.037 54.992 54.000 -0.075 0.000 0.863 324 D CB 0.310 41.051 40.800 -0.099 0.000 0.973 324 D HN 0.573 nan 8.370 nan 0.000 0.501 325 H N -0.699 118.257 119.070 -0.190 0.000 2.621 325 H HA 0.569 5.124 4.556 -0.001 0.000 0.360 325 H C -0.979 174.161 175.328 -0.313 0.000 1.163 325 H CA -1.084 54.822 56.048 -0.238 0.000 1.194 325 H CB 2.597 32.204 29.762 -0.257 0.000 1.649 325 H HN -0.127 nan 8.280 nan 0.000 0.532 326 L N 1.681 122.829 121.223 -0.125 0.000 2.505 326 L HA 0.198 4.537 4.340 -0.001 0.000 0.266 326 L C -0.823 175.994 176.870 -0.088 0.000 0.954 326 L CA -0.375 54.372 54.840 -0.154 0.000 0.852 326 L CB 1.421 43.398 42.059 -0.135 0.000 1.282 326 L HN 0.720 nan 8.230 nan 0.000 0.403 327 H N 2.946 121.841 119.070 -0.293 0.000 3.125 327 H HA 0.090 4.646 4.556 -0.001 0.000 0.310 327 H C 0.370 175.536 175.328 -0.270 0.000 0.980 327 H CA 0.956 56.825 56.048 -0.299 0.000 1.422 327 H CB 0.840 30.342 29.762 -0.433 0.000 1.432 327 H HN 0.769 nan 8.280 nan 0.000 0.577 328 S N 2.030 117.659 115.700 -0.118 0.000 2.666 328 S HA 0.303 4.772 4.470 -0.001 0.000 0.239 328 S C 0.952 175.601 174.600 0.083 0.000 1.031 328 S CA 0.079 58.323 58.200 0.073 0.000 1.015 328 S CB 1.087 64.462 63.200 0.291 0.000 0.981 328 S HN 1.082 nan 8.310 nan 0.000 0.547 329 G N 1.257 110.005 108.800 -0.086 0.000 2.756 329 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.678 329 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.678 329 G C 0.319 175.243 174.900 0.040 0.000 1.349 329 G CA 0.181 45.264 45.100 -0.030 0.000 0.847 329 G HN 1.006 nan 8.290 nan 0.000 0.548 330 T N -3.280 111.286 114.554 0.021 0.000 2.969 330 T HA 0.430 4.779 4.350 -0.001 0.000 0.250 330 T C 1.918 176.680 174.700 0.105 0.000 1.021 330 T CA 1.489 63.617 62.100 0.047 0.000 1.003 330 T CB 0.352 69.143 68.868 -0.128 0.000 1.040 330 T HN 2.286 nan 8.240 nan 0.000 0.492 331 V N 0.811 120.759 119.914 0.058 0.000 0.481 331 V HA -0.333 3.786 4.120 -0.001 0.000 0.092 331 V C 2.114 178.221 176.094 0.022 0.000 2.400 331 V CA 2.011 64.330 62.300 0.031 0.000 3.646 331 V CB -1.991 29.829 31.823 -0.006 0.000 0.927 331 V HN 0.734 nan 8.190 nan 0.000 0.973 332 V N -0.859 119.046 119.914 -0.015 0.000 3.608 332 V HA 0.640 4.759 4.120 -0.001 0.000 0.269 332 V C 1.238 177.277 176.094 -0.092 0.000 1.245 332 V CA 1.466 63.752 62.300 -0.023 0.000 1.138 332 V CB -0.108 31.699 31.823 -0.028 0.000 0.841 332 V HN 0.945 nan 8.190 nan 0.000 0.451 333 G N 1.297 109.989 108.800 -0.180 0.000 2.574 333 G HA2 0.293 4.252 3.960 -0.001 0.000 0.248 333 G HA3 0.293 4.252 3.960 -0.001 0.000 0.248 333 G C 0.705 175.309 174.900 -0.493 0.000 1.422 333 G CA -0.006 44.895 45.100 -0.331 0.000 1.051 333 G HN 0.492 nan 8.290 nan 0.000 0.560 334 K N -1.239 118.614 120.400 -0.912 0.000 2.366 334 K HA 0.174 4.493 4.320 -0.001 0.000 0.198 334 K C 0.401 176.790 176.600 -0.352 0.000 1.044 334 K CA 0.451 56.154 56.287 -0.973 0.000 0.973 334 K CB -0.187 31.741 32.500 -0.952 0.000 0.767 334 K HN 0.215 nan 8.250 nan 0.000 0.475 335 L N 1.669 122.749 121.223 -0.237 0.000 2.330 335 L HA 0.329 4.668 4.340 -0.001 0.000 0.271 335 L C -0.145 176.694 176.870 -0.052 0.000 1.013 335 L CA -1.148 53.621 54.840 -0.118 0.000 0.816 335 L CB 1.835 43.843 42.059 -0.086 0.000 1.287 335 L HN 0.122 nan 8.230 nan 0.000 0.435 336 E N 0.743 120.933 120.200 -0.017 0.000 2.360 336 E HA 0.425 4.775 4.350 -0.001 0.000 0.269 336 E C -0.435 176.197 176.600 0.054 0.000 1.022 336 E CA -0.151 56.266 56.400 0.028 0.000 0.887 336 E CB 0.937 30.653 29.700 0.026 0.000 0.990 336 E HN 0.735 nan 8.360 nan 0.000 0.426 337 G N 3.812 112.657 108.800 0.075 0.000 2.413 337 G HA2 0.122 4.081 3.960 -0.001 0.000 0.285 337 G HA3 0.122 4.081 3.960 -0.001 0.000 0.285 337 G C -1.578 173.375 174.900 0.089 0.000 1.337 337 G CA -0.828 44.334 45.100 0.103 0.000 1.324 337 G HN 0.622 nan 8.290 nan 0.000 0.611 338 D N 1.678 122.147 120.400 0.115 0.000 2.312 338 D HA 0.210 4.850 4.640 -0.001 0.000 0.252 338 D C 1.500 177.812 176.300 0.019 0.000 1.150 338 D CA -0.398 53.653 54.000 0.085 0.000 0.870 338 D CB 1.211 42.089 40.800 0.129 0.000 1.153 338 D HN 0.227 nan 8.370 nan 0.000 0.457 339 K N 3.261 123.651 120.400 -0.016 0.000 2.057 339 K HA -0.183 4.137 4.320 -0.001 0.000 0.207 339 K C 1.630 178.161 176.600 -0.114 0.000 1.049 339 K CA 1.154 57.391 56.287 -0.084 0.000 0.931 339 K CB -0.169 32.287 32.500 -0.073 0.000 0.714 339 K HN 0.579 nan 8.250 nan 0.000 0.440 340 A N 1.089 123.869 122.820 -0.066 0.000 1.858 340 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 340 A C 2.164 179.699 177.584 -0.082 0.000 1.190 340 A CA 2.461 54.457 52.037 -0.069 0.000 0.617 340 A CB -0.780 18.199 19.000 -0.035 0.000 0.827 340 A HN 0.558 nan 8.150 nan 0.000 0.443 341 S N -1.467 114.214 115.700 -0.032 0.000 2.461 341 S HA -0.084 4.386 4.470 -0.001 0.000 0.228 341 S C 1.743 176.207 174.600 -0.227 0.000 1.005 341 S CA 1.632 59.837 58.200 0.008 0.000 0.942 341 S CB -0.867 62.453 63.200 0.199 0.000 0.776 341 S HN 0.457 nan 8.310 nan 0.000 0.514 342 T N 3.027 117.336 114.554 -0.409 0.000 2.821 342 T HA 0.163 4.512 4.350 -0.001 0.000 0.267 342 T C 1.639 175.880 174.700 -0.765 0.000 1.046 342 T CA 1.295 62.804 62.100 -0.984 0.000 1.139 342 T CB -0.452 68.144 68.868 -0.453 0.000 0.871 342 T HN 0.337 nan 8.240 nan 0.000 0.454 343 L N 0.646 121.627 121.223 -0.402 0.000 2.141 343 L HA 0.033 4.372 4.340 -0.001 0.000 0.209 343 L C 2.930 179.693 176.870 -0.178 0.000 1.094 343 L CA 1.093 55.773 54.840 -0.266 0.000 0.763 343 L CB -0.973 40.968 42.059 -0.195 0.000 0.908 343 L HN 0.331 nan 8.230 nan 0.000 0.437 344 G N 1.337 110.039 108.800 -0.163 0.000 2.453 344 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.215 344 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.215 344 G C 1.296 176.249 174.900 0.090 0.000 1.201 344 G CA 1.062 46.145 45.100 -0.028 0.000 0.784 344 G HN 0.473 nan 8.290 nan 0.000 0.545 345 F N 0.555 120.594 119.950 0.148 0.000 2.558 345 F HA 0.260 4.786 4.527 -0.001 0.000 0.298 345 F C 2.122 178.013 175.800 0.152 0.000 1.119 345 F CA -0.045 58.061 58.000 0.177 0.000 1.451 345 F CB -0.803 38.356 39.000 0.265 0.000 1.091 345 F HN -0.001 nan 8.300 nan 0.000 0.563 346 V N 1.048 121.092 119.914 0.216 0.000 2.427 346 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 346 V C 2.019 178.191 176.094 0.130 0.000 1.051 346 V CA 2.194 64.618 62.300 0.206 0.000 1.048 346 V CB -0.649 31.238 31.823 0.107 0.000 0.666 346 V HN 0.221 nan 8.190 nan 0.000 0.456 347 D N -0.022 120.433 120.400 0.091 0.000 2.144 347 D HA -0.080 4.560 4.640 -0.001 0.000 0.200 347 D C 2.096 178.465 176.300 0.114 0.000 0.978 347 D CA 1.051 55.099 54.000 0.080 0.000 0.833 347 D CB -0.174 40.661 40.800 0.059 0.000 0.961 347 D HN 0.314 nan 8.370 nan 0.000 0.470 348 L N 0.465 121.796 121.223 0.181 0.000 2.141 348 L HA -0.079 4.260 4.340 -0.001 0.000 0.209 348 L C 2.337 179.248 176.870 0.068 0.000 1.094 348 L CA 0.833 55.831 54.840 0.264 0.000 0.763 348 L CB -0.369 41.890 42.059 0.334 0.000 0.908 348 L HN 0.163 nan 8.230 nan 0.000 0.437 349 M N -2.536 117.071 119.600 0.012 0.000 2.502 349 M HA 0.052 4.532 4.480 -0.001 0.000 0.243 349 M C 1.827 177.998 176.300 -0.215 0.000 1.130 349 M CA 1.039 56.240 55.300 -0.164 0.000 1.055 349 M CB 0.241 32.822 32.600 -0.031 0.000 1.457 349 M HN 0.020 nan 8.290 nan 0.000 0.488 350 R N 0.253 120.677 120.500 -0.125 0.000 2.243 350 R HA 0.284 4.623 4.340 -0.001 0.000 0.193 350 R C 0.246 176.493 176.300 -0.088 0.000 0.933 350 R CA 0.161 56.208 56.100 -0.088 0.000 1.105 350 R CB 0.601 30.900 30.300 -0.001 0.000 1.169 350 R HN 0.338 nan 8.270 nan 0.000 0.599 351 E N 0.501 120.678 120.200 -0.038 0.000 2.292 351 E HA 0.017 4.366 4.350 -0.001 0.000 0.258 351 E C -0.079 176.583 176.600 0.102 0.000 1.115 351 E CA 0.105 56.532 56.400 0.045 0.000 0.929 351 E CB 1.159 30.917 29.700 0.096 0.000 1.161 351 E HN 0.004 nan 8.360 nan 0.000 0.453 352 D N -1.071 119.444 120.400 0.190 0.000 2.301 352 D HA -0.076 4.563 4.640 -0.001 0.000 0.206 352 D C -0.268 176.281 176.300 0.415 0.000 0.979 352 D CA 0.665 54.848 54.000 0.305 0.000 0.874 352 D CB 0.446 41.371 40.800 0.208 0.000 0.968 352 D HN 0.289 nan 8.370 nan 0.000 0.510 353 H N -0.342 118.861 119.070 0.222 0.000 2.934 353 H HA 0.382 4.938 4.556 -0.001 0.000 0.340 353 H C -1.624 173.793 175.328 0.148 0.000 1.008 353 H CA -0.667 55.479 56.048 0.163 0.000 1.317 353 H CB 0.695 30.516 29.762 0.097 0.000 1.670 353 H HN -0.136 nan 8.280 nan 0.000 0.516 354 I N 5.070 125.405 120.570 -0.391 0.000 2.439 354 I HA 0.109 4.278 4.170 -0.001 0.000 0.283 354 I C 0.154 176.067 176.117 -0.339 0.000 1.023 354 I CA -0.541 60.628 61.300 -0.219 0.000 1.100 354 I CB 1.566 39.581 38.000 0.025 0.000 1.238 354 I HN 0.411 nan 8.210 nan 0.000 0.445 355 E N 3.919 123.968 120.200 -0.251 0.000 2.398 355 E HA 0.317 4.667 4.350 -0.001 0.000 0.263 355 E C 0.173 176.737 176.600 -0.060 0.000 1.046 355 E CA -0.217 56.114 56.400 -0.114 0.000 0.908 355 E CB 0.975 30.676 29.700 0.002 0.000 0.963 355 E HN 0.644 nan 8.360 nan 0.000 0.431 356 A N 2.599 125.400 122.820 -0.032 0.000 2.511 356 A HA 0.086 4.405 4.320 -0.001 0.000 0.242 356 A C 0.061 177.597 177.584 -0.080 0.000 1.069 356 A CA 0.205 52.214 52.037 -0.046 0.000 0.763 356 A CB 0.160 19.137 19.000 -0.039 0.000 1.001 356 A HN 0.506 nan 8.150 nan 0.000 0.498 357 D N 1.085 121.413 120.400 -0.121 0.000 2.312 357 D HA 0.176 4.815 4.640 -0.001 0.000 0.229 357 D C 0.691 176.870 176.300 -0.201 0.000 1.337 357 D CA -0.506 53.416 54.000 -0.130 0.000 0.964 357 D CB 0.526 41.277 40.800 -0.082 0.000 1.456 357 D HN 0.391 nan 8.370 nan 0.000 0.547 358 R N 1.106 121.442 120.500 -0.273 0.000 2.235 358 R HA -0.028 4.312 4.340 -0.001 0.000 0.213 358 R C 1.704 177.851 176.300 -0.255 0.000 1.059 358 R CA 0.885 56.741 56.100 -0.407 0.000 0.997 358 R CB -0.214 29.817 30.300 -0.448 0.000 0.884 358 R HN 0.479 nan 8.270 nan 0.000 0.462 359 S N 0.170 115.774 115.700 -0.160 0.000 2.489 359 S HA 0.015 4.484 4.470 -0.001 0.000 0.228 359 S C 1.573 176.121 174.600 -0.085 0.000 0.995 359 S CA 0.326 58.465 58.200 -0.102 0.000 0.934 359 S CB 0.145 63.299 63.200 -0.078 0.000 0.771 359 S HN 0.146 nan 8.310 nan 0.000 0.522 360 R N 0.328 120.769 120.500 -0.097 0.000 2.432 360 R HA 0.277 4.617 4.340 -0.001 0.000 0.260 360 R C 1.433 177.698 176.300 -0.057 0.000 0.935 360 R CA 0.531 56.589 56.100 -0.070 0.000 1.080 360 R CB 0.064 30.328 30.300 -0.061 0.000 1.155 360 R HN 0.594 nan 8.270 nan 0.000 0.531 361 G N 1.132 109.868 108.800 -0.106 0.000 2.162 361 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.260 361 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.260 361 G C 0.205 175.099 174.900 -0.010 0.000 0.976 361 G CA 0.276 45.330 45.100 -0.077 0.000 0.655 361 G HN 0.160 nan 8.290 nan 0.000 0.533 362 V N 1.720 121.587 119.914 -0.079 0.000 2.338 362 V HA 0.423 4.542 4.120 -0.001 0.000 0.255 362 V C 1.405 177.428 176.094 -0.117 0.000 1.082 362 V CA -0.196 62.104 62.300 -0.001 0.000 0.951 362 V CB 0.126 31.950 31.823 0.001 0.000 1.102 362 V HN 0.226 nan 8.190 nan 0.000 0.489 363 F N 3.421 123.216 119.950 -0.258 0.000 2.293 363 F HA 0.218 4.745 4.527 -0.001 0.000 0.297 363 F C 0.740 176.188 175.800 -0.587 0.000 1.089 363 F CA 0.780 58.475 58.000 -0.508 0.000 1.377 363 F CB -0.050 38.470 39.000 -0.801 0.000 1.051 363 F HN 0.310 nan 8.300 nan 0.000 0.511 364 F N -1.214 118.834 119.950 0.163 0.000 2.563 364 F HA 0.380 4.907 4.527 -0.001 0.000 0.316 364 F C 0.444 176.248 175.800 0.008 0.000 1.076 364 F CA -1.676 56.371 58.000 0.079 0.000 0.921 364 F CB 0.742 39.779 39.000 0.063 0.000 1.209 364 F HN -0.526 nan 8.300 nan 0.000 0.462 365 T N 1.985 116.645 114.554 0.176 0.000 2.853 365 T HA 0.192 4.541 4.350 -0.001 0.000 0.298 365 T C -0.345 174.355 174.700 0.000 0.000 0.978 365 T CA 0.044 62.164 62.100 0.033 0.000 1.152 365 T CB 0.419 69.314 68.868 0.045 0.000 0.914 365 T HN 0.424 nan 8.240 nan 0.000 0.539 366 Q N 2.891 122.636 119.800 -0.091 0.000 2.331 366 Q HA 0.317 4.656 4.340 -0.001 0.000 0.267 366 Q C -1.169 174.698 176.000 -0.223 0.000 1.006 366 Q CA -0.498 55.199 55.803 -0.177 0.000 0.818 366 Q CB 1.072 29.715 28.738 -0.159 0.000 1.276 366 Q HN 0.531 nan 8.270 nan 0.000 0.450 367 D N 2.862 123.115 120.400 -0.245 0.000 2.185 367 D HA 0.212 4.851 4.640 -0.001 0.000 0.247 367 D C -0.378 175.714 176.300 -0.345 0.000 1.027 367 D CA -0.170 53.764 54.000 -0.110 0.000 0.861 367 D CB 0.921 41.748 40.800 0.045 0.000 1.202 367 D HN 0.750 nan 8.370 nan 0.000 0.453 368 W N 0.506 121.846 121.300 0.065 0.000 2.870 368 W HA 0.300 4.960 4.660 -0.001 0.000 0.358 368 W C 1.003 177.540 176.519 0.029 0.000 1.043 368 W CA -0.392 56.971 57.345 0.029 0.000 1.692 368 W CB 0.355 29.823 29.460 0.014 0.000 1.100 368 W HN 0.577 nan 8.180 nan 0.000 0.557 369 A N 0.784 123.716 122.820 0.187 0.000 2.596 369 A HA -0.247 4.072 4.320 -0.001 0.000 0.300 369 A C 1.265 178.930 177.584 0.135 0.000 1.495 369 A CA 1.287 53.402 52.037 0.129 0.000 0.769 369 A CB -1.834 17.220 19.000 0.091 0.000 1.047 369 A HN 0.683 nan 8.150 nan 0.000 0.436 370 S N -3.259 112.532 115.700 0.152 0.000 3.490 370 S HA -0.253 4.216 4.470 -0.001 0.000 0.301 370 S C 0.301 174.960 174.600 0.099 0.000 1.233 370 S CA 1.393 59.660 58.200 0.111 0.000 0.914 370 S CB -1.862 61.384 63.200 0.077 0.000 1.047 370 S HN 1.747 nan 8.310 nan 0.000 0.602 371 M N 2.203 121.888 119.600 0.142 0.000 2.219 371 M HA 0.257 4.736 4.480 -0.001 0.000 0.353 371 M C -2.374 173.922 176.300 -0.007 0.000 1.304 371 M CA -1.450 53.903 55.300 0.089 0.000 1.115 371 M CB 0.557 33.258 32.600 0.168 0.000 1.664 371 M HN -0.159 nan 8.290 nan 0.000 0.459 372 P HA 0.124 nan 4.420 nan 0.000 0.267 372 P C -0.381 176.831 177.300 -0.148 0.000 1.200 372 P CA -0.102 62.960 63.100 -0.063 0.000 0.772 372 P CB 0.403 32.078 31.700 -0.042 0.000 0.855 373 G N 0.785 109.508 108.800 -0.127 0.000 2.599 373 G HA2 0.418 4.378 3.960 -0.001 0.000 0.264 373 G HA3 0.418 4.378 3.960 -0.001 0.000 0.264 373 G C -0.902 173.917 174.900 -0.135 0.000 1.200 373 G CA -0.389 44.606 45.100 -0.176 0.000 0.896 373 G HN 0.367 nan 8.290 nan 0.000 0.536 374 V N 1.480 121.305 119.914 -0.150 0.000 2.384 374 V HA 0.198 4.318 4.120 -0.001 0.000 0.287 374 V C -0.072 175.993 176.094 -0.047 0.000 1.020 374 V CA -0.902 61.339 62.300 -0.099 0.000 0.850 374 V CB 1.399 33.131 31.823 -0.152 0.000 0.987 374 V HN 0.539 nan 8.190 nan 0.000 0.436 375 L N 9.371 130.592 121.223 -0.004 0.000 2.534 375 L HA 0.253 4.593 4.340 -0.001 0.000 0.271 375 L C -1.871 174.944 176.870 -0.091 0.000 1.178 375 L CA -1.261 53.556 54.840 -0.039 0.000 0.907 375 L CB 0.252 42.273 42.059 -0.062 0.000 1.164 375 L HN 0.443 nan 8.230 nan 0.000 0.482 376 P HA 0.111 nan 4.420 nan 0.000 0.276 376 P C -1.019 176.099 177.300 -0.303 0.000 1.230 376 P CA -0.209 62.822 63.100 -0.116 0.000 0.776 376 P CB 1.139 32.846 31.700 0.012 0.000 0.888 377 V N 3.028 122.731 119.914 -0.352 0.000 2.350 377 V HA 0.471 4.590 4.120 -0.001 0.000 0.285 377 V C 0.473 176.220 176.094 -0.577 0.000 1.014 377 V CA -0.847 61.168 62.300 -0.476 0.000 0.831 377 V CB 1.190 32.728 31.823 -0.477 0.000 1.000 377 V HN 0.671 nan 8.190 nan 0.000 0.433 378 A N 3.883 126.311 122.820 -0.653 0.000 2.269 378 A HA 0.773 5.092 4.320 -0.001 0.000 0.302 378 A C 0.148 177.440 177.584 -0.488 0.000 1.266 378 A CA -0.141 51.543 52.037 -0.588 0.000 0.894 378 A CB 0.764 19.338 19.000 -0.709 0.000 1.147 378 A HN 0.867 nan 8.150 nan 0.000 0.537 379 S N 1.909 117.376 115.700 -0.390 0.000 2.566 379 S HA 0.718 5.187 4.470 -0.001 0.000 0.273 379 S C -0.530 173.943 174.600 -0.211 0.000 1.157 379 S CA 0.368 58.375 58.200 -0.322 0.000 0.938 379 S CB 1.078 64.109 63.200 -0.282 0.000 1.087 379 S HN 2.532 nan 8.310 nan 0.000 0.474 380 G N 2.058 110.725 108.800 -0.221 0.000 2.781 380 G HA2 0.456 4.415 3.960 -0.001 0.000 0.468 380 G HA3 0.456 4.415 3.960 -0.001 0.000 0.468 380 G C 0.789 175.518 174.900 -0.286 0.000 1.186 380 G CA 0.275 45.259 45.100 -0.194 0.000 1.220 380 G HN 2.117 nan 8.290 nan 0.000 0.564 381 G N 0.239 108.892 108.800 -0.244 0.000 2.160 381 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.251 381 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.251 381 G C 0.596 175.419 174.900 -0.127 0.000 1.008 381 G CA 1.000 45.934 45.100 -0.277 0.000 0.724 381 G HN 2.233 nan 8.290 nan 0.000 0.514 382 I N -1.965 118.510 120.570 -0.158 0.000 2.577 382 I HA 0.947 5.117 4.170 -0.001 0.000 0.305 382 I C 0.251 176.519 176.117 0.252 0.000 0.986 382 I CA -1.358 59.891 61.300 -0.085 0.000 1.189 382 I CB 1.579 39.401 38.000 -0.296 0.000 1.355 382 I HN 0.313 nan 8.210 nan 0.000 0.476 383 H N 1.512 120.928 119.070 0.577 0.000 2.959 383 H HA 0.474 5.030 4.556 -0.001 0.000 0.296 383 H C 0.670 176.156 175.328 0.264 0.000 1.421 383 H CA -0.441 55.759 56.048 0.255 0.000 1.206 383 H CB 0.424 30.052 29.762 -0.224 0.000 1.891 383 H HN 0.326 nan 8.280 nan 0.000 0.573 384 V N -2.965 117.105 119.914 0.260 0.000 2.380 384 V HA -0.252 3.867 4.120 -0.001 0.000 0.251 384 V C 1.458 177.586 176.094 0.056 0.000 1.063 384 V CA 1.875 64.175 62.300 -0.000 0.000 1.055 384 V CB -1.298 30.413 31.823 -0.186 0.000 0.657 384 V HN 0.778 nan 8.190 nan 0.000 0.455 385 W N -0.336 121.121 121.300 0.262 0.000 2.421 385 W HA -0.016 4.643 4.660 -0.001 0.000 0.270 385 W C 2.636 179.141 176.519 -0.022 0.000 1.233 385 W CA 1.153 58.550 57.345 0.088 0.000 1.226 385 W CB -0.376 29.150 29.460 0.110 0.000 1.121 385 W HN 0.353 nan 8.180 nan 0.000 0.579 386 H N -0.893 118.347 119.070 0.283 0.000 2.548 386 H HA -0.001 4.555 4.556 -0.001 0.000 0.268 386 H C 1.885 177.327 175.328 0.190 0.000 0.975 386 H CA 0.987 57.138 56.048 0.171 0.000 1.195 386 H CB -0.305 29.494 29.762 0.062 0.000 1.397 386 H HN 0.186 nan 8.280 nan 0.000 0.572 387 M N 1.446 121.218 119.600 0.287 0.000 2.108 387 M HA -0.059 4.420 4.480 -0.001 0.000 0.261 387 M C -0.996 175.415 176.300 0.185 0.000 1.066 387 M CA 1.537 56.972 55.300 0.226 0.000 1.107 387 M CB -0.722 31.945 32.600 0.111 0.000 1.356 387 M HN 0.046 nan 8.290 nan 0.000 0.406 388 P HA 0.005 nan 4.420 nan 0.000 0.217 388 P C 1.036 178.432 177.300 0.160 0.000 1.151 388 P CA 1.885 65.072 63.100 0.145 0.000 0.828 388 P CB -0.267 31.514 31.700 0.134 0.000 0.788 389 A N -0.441 122.491 122.820 0.186 0.000 1.898 389 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 389 A C 2.185 179.861 177.584 0.155 0.000 1.181 389 A CA 1.257 53.397 52.037 0.171 0.000 0.620 389 A CB -1.626 17.491 19.000 0.197 0.000 0.819 389 A HN 0.085 nan 8.150 nan 0.000 0.442 390 L N -0.412 120.939 121.223 0.213 0.000 2.046 390 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 390 L C 2.499 179.542 176.870 0.288 0.000 1.077 390 L CA 1.161 56.176 54.840 0.292 0.000 0.747 390 L CB -0.583 41.637 42.059 0.268 0.000 0.896 390 L HN 0.250 nan 8.230 nan 0.000 0.432 391 V N -0.464 119.571 119.914 0.201 0.000 2.427 391 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 391 V C 2.438 178.605 176.094 0.122 0.000 1.051 391 V CA 1.716 64.113 62.300 0.162 0.000 1.048 391 V CB -0.403 31.497 31.823 0.129 0.000 0.666 391 V HN 0.463 nan 8.190 nan 0.000 0.456 392 E N 0.032 120.290 120.200 0.096 0.000 2.047 392 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 392 E C 2.239 178.829 176.600 -0.016 0.000 0.987 392 E CA 1.399 57.830 56.400 0.051 0.000 0.799 392 E CB -0.082 29.657 29.700 0.064 0.000 0.752 392 E HN 0.584 nan 8.360 nan 0.000 0.449 393 I N -0.214 120.309 120.570 -0.079 0.000 2.179 393 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 393 I C 1.739 177.631 176.117 -0.375 0.000 1.088 393 I CA 1.184 62.299 61.300 -0.309 0.000 1.357 393 I CB -0.109 37.559 38.000 -0.554 0.000 1.051 393 I HN 0.106 nan 8.210 nan 0.000 0.409 394 F N 0.172 120.121 119.950 -0.002 0.000 2.622 394 F HA 0.341 4.867 4.527 -0.001 0.000 0.288 394 F C 1.571 177.374 175.800 0.005 0.000 1.120 394 F CA 0.566 58.562 58.000 -0.007 0.000 1.423 394 F CB -0.522 38.469 39.000 -0.015 0.000 1.127 394 F HN 0.139 nan 8.300 nan 0.000 0.588 395 G N 0.758 109.661 108.800 0.172 0.000 2.698 395 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.233 395 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.233 395 G C 0.298 175.271 174.900 0.122 0.000 1.352 395 G CA 0.099 45.270 45.100 0.119 0.000 0.879 395 G HN 0.141 nan 8.290 nan 0.000 0.567 396 D N 0.440 120.895 120.400 0.092 0.000 2.117 396 D HA 0.011 4.650 4.640 -0.001 0.000 0.197 396 D C 1.103 177.448 176.300 0.074 0.000 0.987 396 D CA 1.457 55.506 54.000 0.082 0.000 0.829 396 D CB -0.172 40.675 40.800 0.078 0.000 0.961 396 D HN 0.394 nan 8.370 nan 0.000 0.460 397 D N 0.629 121.074 120.400 0.075 0.000 2.608 397 D HA 0.166 4.805 4.640 -0.001 0.000 0.224 397 D C -0.071 176.251 176.300 0.038 0.000 1.123 397 D CA 0.100 54.135 54.000 0.058 0.000 1.030 397 D CB -0.167 40.669 40.800 0.060 0.000 1.093 397 D HN 0.038 nan 8.370 nan 0.000 0.497 398 S N -1.290 114.410 115.700 0.001 0.000 2.587 398 S HA 0.598 5.067 4.470 -0.001 0.000 0.269 398 S C -1.046 173.483 174.600 -0.117 0.000 1.154 398 S CA -0.920 57.227 58.200 -0.089 0.000 0.824 398 S CB 1.696 64.842 63.200 -0.091 0.000 1.118 398 S HN -0.095 nan 8.310 nan 0.000 0.462 399 V N 1.826 121.610 119.914 -0.218 0.000 2.444 399 V HA 0.504 4.623 4.120 -0.001 0.000 0.294 399 V C -0.775 175.185 176.094 -0.222 0.000 1.022 399 V CA -0.610 61.596 62.300 -0.156 0.000 0.850 399 V CB 1.146 32.847 31.823 -0.203 0.000 0.992 399 V HN 0.823 nan 8.190 nan 0.000 0.426 400 L N 4.749 125.897 121.223 -0.125 0.000 2.296 400 L HA 0.634 4.973 4.340 -0.001 0.000 0.286 400 L C -0.253 176.474 176.870 -0.239 0.000 1.023 400 L CA -0.345 54.365 54.840 -0.218 0.000 0.812 400 L CB 1.512 43.560 42.059 -0.020 0.000 1.223 400 L HN 0.608 nan 8.230 nan 0.000 0.421 401 Q N 2.789 122.277 119.800 -0.520 0.000 2.330 401 Q HA 0.552 4.891 4.340 -0.001 0.000 0.269 401 Q C -1.646 173.977 176.000 -0.629 0.000 1.022 401 Q CA -0.453 55.127 55.803 -0.372 0.000 0.796 401 Q CB 2.174 30.772 28.738 -0.232 0.000 1.271 401 Q HN 0.411 nan 8.270 nan 0.000 0.450 402 F N 1.498 121.416 119.950 -0.053 0.000 2.430 402 F HA 0.401 4.928 4.527 -0.001 0.000 0.362 402 F C 0.849 176.624 175.800 -0.042 0.000 1.103 402 F CA -0.640 57.325 58.000 -0.057 0.000 1.045 402 F CB 1.434 40.404 39.000 -0.051 0.000 1.276 402 F HN 0.726 nan 8.300 nan 0.000 0.444 403 G N 1.660 110.496 108.800 0.060 0.000 2.624 403 G HA2 0.066 4.026 3.960 -0.001 0.000 0.216 403 G HA3 0.066 4.026 3.960 -0.001 0.000 0.216 403 G C 1.739 176.684 174.900 0.075 0.000 1.274 403 G CA 0.593 45.727 45.100 0.056 0.000 0.856 403 G HN 0.767 nan 8.290 nan 0.000 0.555 404 G N 0.576 109.411 108.800 0.059 0.000 2.448 404 G HA2 0.112 4.071 3.960 -0.001 0.000 0.219 404 G HA3 0.112 4.071 3.960 -0.001 0.000 0.219 404 G C 1.609 176.539 174.900 0.049 0.000 1.127 404 G CA 1.249 46.398 45.100 0.082 0.000 0.766 404 G HN 0.682 nan 8.290 nan 0.000 0.552 405 G N -0.737 108.031 108.800 -0.054 0.000 2.776 405 G HA2 0.195 4.155 3.960 -0.001 0.000 0.209 405 G HA3 0.195 4.155 3.960 -0.001 0.000 0.209 405 G C 1.287 176.234 174.900 0.078 0.000 1.145 405 G CA 1.414 46.377 45.100 -0.228 0.000 0.791 405 G HN 0.394 nan 8.290 nan 0.000 0.530 406 T N -0.040 114.614 114.554 0.166 0.000 3.174 406 T HA 0.096 4.445 4.350 -0.001 0.000 0.252 406 T C 1.958 176.775 174.700 0.194 0.000 0.984 406 T CA -0.130 62.067 62.100 0.161 0.000 1.113 406 T CB -0.006 68.918 68.868 0.093 0.000 1.088 406 T HN 0.058 nan 8.240 nan 0.000 0.442 407 L N 1.514 122.834 121.223 0.161 0.000 2.478 407 L HA 0.291 4.630 4.340 -0.001 0.000 0.223 407 L C 2.215 179.205 176.870 0.200 0.000 1.140 407 L CA 0.880 55.805 54.840 0.142 0.000 0.842 407 L CB -0.216 41.895 42.059 0.088 0.000 0.953 407 L HN 0.370 nan 8.230 nan 0.000 0.452 408 G N -2.808 106.176 108.800 0.308 0.000 3.284 408 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.236 408 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.236 408 G C 0.487 175.596 174.900 0.349 0.000 1.158 408 G CA -0.304 45.017 45.100 0.369 0.000 0.774 408 G HN 0.259 nan 8.290 nan 0.000 0.545 409 H N 1.325 120.531 119.070 0.228 0.000 2.897 409 H HA 0.074 4.629 4.556 -0.001 0.000 0.347 409 H C -1.387 173.894 175.328 -0.080 0.000 1.068 409 H CA -0.993 55.039 56.048 -0.027 0.000 1.426 409 H CB 1.884 31.637 29.762 -0.015 0.000 1.410 409 H HN -0.055 nan 8.280 nan 0.000 0.597 410 P HA -0.149 nan 4.420 nan 0.000 0.218 410 P C 0.614 178.103 177.300 0.314 0.000 1.148 410 P CA 1.243 64.256 63.100 -0.146 0.000 0.822 410 P CB 0.078 31.561 31.700 -0.361 0.000 0.784 411 W N -0.761 120.698 121.300 0.265 0.000 3.220 411 W HA 0.532 5.191 4.660 -0.001 0.000 0.328 411 W C 1.146 177.739 176.519 0.122 0.000 1.205 411 W CA 0.571 58.028 57.345 0.186 0.000 1.773 411 W CB -0.919 28.650 29.460 0.181 0.000 1.086 411 W HN -0.008 nan 8.180 nan 0.000 0.622 412 G N 1.003 110.007 108.800 0.340 0.000 2.500 412 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.209 412 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.209 412 G C 0.688 175.641 174.900 0.088 0.000 1.283 412 G CA -0.010 45.194 45.100 0.174 0.000 0.960 412 G HN 0.001 nan 8.290 nan 0.000 0.528 413 N N 0.141 118.860 118.700 0.031 0.000 2.148 413 N HA 0.149 4.889 4.740 -0.001 0.000 0.186 413 N C 2.698 178.160 175.510 -0.080 0.000 1.031 413 N CA 2.563 55.603 53.050 -0.017 0.000 0.848 413 N CB -0.729 37.740 38.487 -0.031 0.000 1.005 413 N HN 1.051 nan 8.380 nan 0.000 0.427 414 A N 1.381 124.144 122.820 -0.094 0.000 1.877 414 A HA -0.024 4.295 4.320 -0.001 0.000 0.216 414 A C -0.284 177.218 177.584 -0.136 0.000 1.186 414 A CA 1.309 53.273 52.037 -0.121 0.000 0.620 414 A CB -1.501 17.426 19.000 -0.122 0.000 0.822 414 A HN 0.224 nan 8.150 nan 0.000 0.443 415 P HA -0.071 nan 4.420 nan 0.000 0.217 415 P C 1.711 178.623 177.300 -0.647 0.000 1.150 415 P CA 1.649 64.567 63.100 -0.303 0.000 0.832 415 P CB -0.348 31.258 31.700 -0.157 0.000 0.787 416 G N 0.084 108.528 108.800 -0.595 0.000 2.422 416 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.218 416 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.218 416 G C 1.618 176.402 174.900 -0.193 0.000 1.146 416 G CA 0.933 45.818 45.100 -0.358 0.000 0.769 416 G HN 0.326 nan 8.290 nan 0.000 0.547 417 A N 0.046 122.767 122.820 -0.165 0.000 1.897 417 A HA 0.063 4.383 4.320 -0.001 0.000 0.215 417 A C 2.506 180.006 177.584 -0.140 0.000 1.181 417 A CA 2.250 54.212 52.037 -0.125 0.000 0.620 417 A CB -0.832 18.107 19.000 -0.102 0.000 0.821 417 A HN 0.261 nan 8.150 nan 0.000 0.443 418 T N 0.371 114.836 114.554 -0.149 0.000 2.746 418 T HA -0.058 4.292 4.350 -0.001 0.000 0.267 418 T C 2.231 176.839 174.700 -0.154 0.000 1.039 418 T CA 1.630 63.657 62.100 -0.122 0.000 1.142 418 T CB -0.477 68.334 68.868 -0.096 0.000 0.866 418 T HN 0.592 nan 8.240 nan 0.000 0.444 419 A N 2.002 124.696 122.820 -0.210 0.000 1.873 419 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 419 A C 2.128 179.579 177.584 -0.222 0.000 1.193 419 A CA 2.317 54.225 52.037 -0.214 0.000 0.629 419 A CB -1.029 17.871 19.000 -0.166 0.000 0.826 419 A HN 0.642 nan 8.150 nan 0.000 0.447 420 N N -1.319 117.232 118.700 -0.248 0.000 2.120 420 N HA -0.170 4.569 4.740 -0.001 0.000 0.188 420 N C 1.965 177.341 175.510 -0.223 0.000 1.024 420 N CA 1.405 54.245 53.050 -0.352 0.000 0.852 420 N CB -0.143 38.036 38.487 -0.513 0.000 1.003 420 N HN 0.485 nan 8.380 nan 0.000 0.424 421 R N 1.071 121.484 120.500 -0.146 0.000 2.092 421 R HA 0.012 4.352 4.340 -0.001 0.000 0.231 421 R C 1.650 177.924 176.300 -0.043 0.000 1.119 421 R CA 0.983 57.038 56.100 -0.076 0.000 0.970 421 R CB -0.622 29.644 30.300 -0.056 0.000 0.864 421 R HN 0.020 nan 8.270 nan 0.000 0.440 422 V N 0.778 120.656 119.914 -0.060 0.000 2.307 422 V HA -0.135 3.984 4.120 -0.001 0.000 0.245 422 V C 2.339 178.398 176.094 -0.058 0.000 1.045 422 V CA 1.820 64.108 62.300 -0.020 0.000 1.024 422 V CB -0.848 30.905 31.823 -0.117 0.000 0.651 422 V HN 0.545 nan 8.190 nan 0.000 0.449 423 A N -0.103 122.632 122.820 -0.141 0.000 1.917 423 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 423 A C 2.174 179.724 177.584 -0.057 0.000 1.182 423 A CA 2.362 54.315 52.037 -0.140 0.000 0.633 423 A CB -0.628 18.251 19.000 -0.202 0.000 0.819 423 A HN 0.476 nan 8.150 nan 0.000 0.448 424 L N -0.030 121.167 121.223 -0.043 0.000 1.994 424 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 424 L C 2.230 179.122 176.870 0.037 0.000 1.071 424 L CA 2.549 57.396 54.840 0.013 0.000 0.745 424 L CB -0.707 41.363 42.059 0.018 0.000 0.892 424 L HN 0.508 nan 8.230 nan 0.000 0.431 425 E N -0.285 119.940 120.200 0.041 0.000 2.153 425 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 425 E C 2.121 178.771 176.600 0.082 0.000 0.988 425 E CA 1.006 57.444 56.400 0.063 0.000 0.811 425 E CB -0.283 29.461 29.700 0.073 0.000 0.746 425 E HN 0.686 nan 8.360 nan 0.000 0.466 426 A N 1.030 123.909 122.820 0.098 0.000 1.877 426 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 426 A C 2.480 180.111 177.584 0.078 0.000 1.186 426 A CA 1.314 53.420 52.037 0.115 0.000 0.620 426 A CB -0.933 18.132 19.000 0.109 0.000 0.822 426 A HN 0.356 nan 8.150 nan 0.000 0.443 427 C N -1.258 118.077 119.300 0.059 0.000 2.425 427 C HA -0.054 4.405 4.460 -0.001 0.000 0.277 427 C C 2.757 177.787 174.990 0.067 0.000 1.280 427 C CA 1.078 60.134 59.018 0.063 0.000 1.744 427 C CB -1.232 26.547 27.740 0.066 0.000 1.989 427 C HN 0.457 nan 8.230 nan 0.000 0.491 428 V N 0.274 120.227 119.914 0.065 0.000 2.379 428 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 428 V C 2.489 178.616 176.094 0.056 0.000 1.044 428 V CA 2.004 64.341 62.300 0.062 0.000 1.036 428 V CB -0.810 31.049 31.823 0.060 0.000 0.664 428 V HN 0.612 nan 8.190 nan 0.000 0.453 429 Q N 0.007 119.840 119.800 0.056 0.000 2.050 429 Q HA -0.213 4.126 4.340 -0.001 0.000 0.202 429 Q C 2.296 178.325 176.000 0.048 0.000 0.980 429 Q CA 2.018 57.850 55.803 0.049 0.000 0.840 429 Q CB -0.280 28.489 28.738 0.051 0.000 0.898 429 Q HN 0.614 nan 8.270 nan 0.000 0.424 430 A N 1.281 124.135 122.820 0.056 0.000 1.908 430 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 430 A C 2.125 179.740 177.584 0.051 0.000 1.181 430 A CA 1.659 53.728 52.037 0.054 0.000 0.627 430 A CB -0.715 18.321 19.000 0.060 0.000 0.818 430 A HN 0.430 nan 8.150 nan 0.000 0.445 431 R N -0.468 120.065 120.500 0.055 0.000 2.073 431 R HA -0.164 4.175 4.340 -0.001 0.000 0.234 431 R C 1.707 178.034 176.300 0.045 0.000 1.134 431 R CA 1.791 57.922 56.100 0.053 0.000 0.952 431 R CB -0.323 30.012 30.300 0.058 0.000 0.850 431 R HN 0.501 nan 8.270 nan 0.000 0.433 432 N N 0.812 119.537 118.700 0.042 0.000 2.244 432 N HA -0.133 4.606 4.740 -0.001 0.000 0.183 432 N C 1.121 176.649 175.510 0.030 0.000 1.016 432 N CA 1.215 54.286 53.050 0.035 0.000 0.866 432 N CB -0.015 38.492 38.487 0.033 0.000 0.980 432 N HN 0.417 nan 8.380 nan 0.000 0.430 433 E N -0.952 119.266 120.200 0.032 0.000 2.371 433 E HA 0.110 4.459 4.350 -0.001 0.000 0.194 433 E C 0.759 177.376 176.600 0.029 0.000 1.012 433 E CA 0.471 56.888 56.400 0.027 0.000 0.860 433 E CB 0.182 29.899 29.700 0.028 0.000 0.811 433 E HN 0.418 nan 8.360 nan 0.000 0.502 434 G N 1.418 110.238 108.800 0.033 0.000 2.175 434 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.182 434 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.182 434 G C 0.104 175.028 174.900 0.039 0.000 1.003 434 G CA -0.548 44.572 45.100 0.034 0.000 0.666 434 G HN -0.003 nan 8.290 nan 0.000 0.506 435 R N 0.661 121.187 120.500 0.043 0.000 2.643 435 R HA 0.302 4.641 4.340 -0.001 0.000 0.270 435 R C -0.566 175.770 176.300 0.059 0.000 1.061 435 R CA -0.153 55.976 56.100 0.049 0.000 1.107 435 R CB 0.535 30.865 30.300 0.049 0.000 0.999 435 R HN 0.271 nan 8.270 nan 0.000 0.460 436 D N 2.547 122.988 120.400 0.067 0.000 2.339 436 D HA 0.072 4.711 4.640 -0.001 0.000 0.241 436 D C 1.134 177.495 176.300 0.103 0.000 1.183 436 D CA -0.166 53.889 54.000 0.093 0.000 0.859 436 D CB 0.665 41.532 40.800 0.112 0.000 1.067 436 D HN 0.402 nan 8.370 nan 0.000 0.484 437 L N 3.566 124.856 121.223 0.112 0.000 2.127 437 L HA -0.178 4.161 4.340 -0.001 0.000 0.211 437 L C 1.742 178.698 176.870 0.143 0.000 1.089 437 L CA 0.878 55.787 54.840 0.115 0.000 0.757 437 L CB -0.509 41.619 42.059 0.115 0.000 0.899 437 L HN 0.575 nan 8.230 nan 0.000 0.434 438 Y N 0.868 121.196 120.300 0.046 0.000 2.114 438 Y HA -0.276 4.274 4.550 -0.001 0.000 0.284 438 Y C 2.882 178.809 175.900 0.045 0.000 1.143 438 Y CA 1.819 59.945 58.100 0.043 0.000 1.135 438 Y CB -0.250 38.227 38.460 0.028 0.000 0.980 438 Y HN -0.035 nan 8.280 nan 0.000 0.499 439 R N 0.146 120.598 120.500 -0.080 0.000 2.075 439 R HA -0.052 4.288 4.340 -0.001 0.000 0.226 439 R C 1.313 177.559 176.300 -0.089 0.000 1.114 439 R CA 1.703 57.702 56.100 -0.168 0.000 0.972 439 R CB -0.056 30.239 30.300 -0.008 0.000 0.869 439 R HN 0.491 nan 8.270 nan 0.000 0.437 440 E N -1.179 119.015 120.200 -0.010 0.000 2.501 440 E HA 0.108 4.457 4.350 -0.001 0.000 0.201 440 E C 1.320 177.943 176.600 0.039 0.000 1.016 440 E CA 0.166 56.576 56.400 0.017 0.000 0.920 440 E CB 1.030 30.750 29.700 0.034 0.000 1.023 440 E HN 0.456 nan 8.360 nan 0.000 0.474 441 G N 1.726 110.552 108.800 0.044 0.000 2.459 441 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.217 441 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.217 441 G C 1.528 176.494 174.900 0.110 0.000 1.183 441 G CA 0.881 46.029 45.100 0.081 0.000 0.776 441 G HN 0.384 nan 8.290 nan 0.000 0.552 442 G N 0.248 109.142 108.800 0.156 0.000 2.432 442 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.219 442 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.219 442 G C 1.482 176.483 174.900 0.169 0.000 1.135 442 G CA 1.225 46.498 45.100 0.289 0.000 0.767 442 G HN 0.356 nan 8.290 nan 0.000 0.550 443 D N 0.608 121.064 120.400 0.093 0.000 2.123 443 D HA -0.037 4.602 4.640 -0.001 0.000 0.200 443 D C 2.596 178.921 176.300 0.042 0.000 0.976 443 D CA 0.433 54.469 54.000 0.061 0.000 0.831 443 D CB -0.016 40.811 40.800 0.045 0.000 0.974 443 D HN 0.343 nan 8.370 nan 0.000 0.469 444 I N 1.048 121.643 120.570 0.042 0.000 2.208 444 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 444 I C 2.497 178.607 176.117 -0.012 0.000 1.097 444 I CA 0.784 62.105 61.300 0.035 0.000 1.363 444 I CB -0.150 37.877 38.000 0.044 0.000 1.051 444 I HN -0.028 nan 8.210 nan 0.000 0.413 445 L N -0.096 121.095 121.223 -0.054 0.000 2.056 445 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 445 L C 2.758 179.496 176.870 -0.219 0.000 1.078 445 L CA 1.324 56.050 54.840 -0.189 0.000 0.749 445 L CB -0.476 41.389 42.059 -0.324 0.000 0.901 445 L HN 0.154 nan 8.230 nan 0.000 0.433 446 R N -0.103 120.332 120.500 -0.109 0.000 2.092 446 R HA -0.142 4.197 4.340 -0.001 0.000 0.231 446 R C 2.168 178.422 176.300 -0.076 0.000 1.119 446 R CA 1.162 57.217 56.100 -0.076 0.000 0.970 446 R CB -0.139 30.176 30.300 0.024 0.000 0.864 446 R HN 0.410 nan 8.270 nan 0.000 0.440 447 E N 0.419 120.602 120.200 -0.028 0.000 2.058 447 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 447 E C 2.007 178.594 176.600 -0.022 0.000 0.997 447 E CA 1.416 57.834 56.400 0.030 0.000 0.801 447 E CB -0.124 29.630 29.700 0.089 0.000 0.746 447 E HN 0.357 nan 8.360 nan 0.000 0.450 448 A N 0.871 123.606 122.820 -0.142 0.000 1.969 448 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 448 A C 2.369 179.348 177.584 -1.008 0.000 1.169 448 A CA 1.475 53.170 52.037 -0.571 0.000 0.635 448 A CB -0.871 17.908 19.000 -0.369 0.000 0.810 448 A HN 0.360 nan 8.150 nan 0.000 0.445 449 G N -0.613 107.864 108.800 -0.538 0.000 2.509 449 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.218 449 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.218 449 G C 1.545 176.251 174.900 -0.323 0.000 1.124 449 G CA 1.006 45.841 45.100 -0.441 0.000 0.776 449 G HN 0.552 nan 8.290 nan 0.000 0.547 450 K N -0.082 120.169 120.400 -0.248 0.000 2.097 450 K HA -0.029 4.291 4.320 -0.001 0.000 0.205 450 K C 1.984 178.594 176.600 0.016 0.000 1.050 450 K CA 1.512 57.764 56.287 -0.060 0.000 0.938 450 K CB -0.132 32.403 32.500 0.058 0.000 0.718 450 K HN 0.740 nan 8.250 nan 0.000 0.442 451 W N -1.623 119.670 121.300 -0.012 0.000 3.127 451 W HA 0.377 5.036 4.660 -0.001 0.000 0.344 451 W C -0.069 176.448 176.519 -0.003 0.000 1.151 451 W CA -0.408 56.934 57.345 -0.005 0.000 1.765 451 W CB -0.017 29.439 29.460 -0.007 0.000 1.085 451 W HN -0.167 nan 8.180 nan 0.000 0.596 452 S N 3.606 119.052 115.700 -0.423 0.000 2.622 452 S HA 0.333 4.802 4.470 -0.001 0.000 0.283 452 S C -1.062 173.409 174.600 -0.215 0.000 1.197 452 S CA -1.397 56.601 58.200 -0.337 0.000 1.146 452 S CB 1.182 63.960 63.200 -0.703 0.000 1.007 452 S HN -0.250 nan 8.310 nan 0.000 0.478 453 P HA -0.145 nan 4.420 nan 0.000 0.218 453 P C 1.209 178.417 177.300 -0.154 0.000 1.149 453 P CA 1.094 64.212 63.100 0.030 0.000 0.817 453 P CB 0.133 31.992 31.700 0.265 0.000 0.785 454 E N 0.073 120.172 120.200 -0.168 0.000 2.152 454 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 454 E C 2.108 178.546 176.600 -0.270 0.000 0.983 454 E CA 0.668 56.831 56.400 -0.395 0.000 0.818 454 E CB -1.367 28.190 29.700 -0.238 0.000 0.758 454 E HN 0.189 nan 8.360 nan 0.000 0.467 455 L N 1.680 122.736 121.223 -0.278 0.000 2.046 455 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 455 L C 2.446 179.118 176.870 -0.330 0.000 1.077 455 L CA 2.018 56.674 54.840 -0.307 0.000 0.747 455 L CB -0.881 40.941 42.059 -0.395 0.000 0.896 455 L HN 0.126 nan 8.230 nan 0.000 0.432 456 A N -0.385 122.245 122.820 -0.315 0.000 1.902 456 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 456 A C 2.443 179.847 177.584 -0.301 0.000 1.181 456 A CA 1.818 53.693 52.037 -0.270 0.000 0.623 456 A CB -1.167 17.720 19.000 -0.189 0.000 0.818 456 A HN 0.575 nan 8.150 nan 0.000 0.443 457 A N -0.473 122.095 122.820 -0.420 0.000 1.969 457 A HA 0.222 4.541 4.320 -0.001 0.000 0.218 457 A C 2.398 179.590 177.584 -0.654 0.000 1.169 457 A CA 1.905 53.591 52.037 -0.586 0.000 0.635 457 A CB -0.720 17.651 19.000 -1.047 0.000 0.810 457 A HN 0.963 nan 8.150 nan 0.000 0.445 458 A N -0.319 122.183 122.820 -0.530 0.000 1.898 458 A HA 0.141 4.460 4.320 -0.001 0.000 0.214 458 A C 2.100 179.509 177.584 -0.292 0.000 1.183 458 A CA 1.069 52.835 52.037 -0.452 0.000 0.622 458 A CB -0.512 18.454 19.000 -0.057 0.000 0.824 458 A HN 0.424 nan 8.150 nan 0.000 0.444 459 L N -0.214 120.830 121.223 -0.300 0.000 2.012 459 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 459 L C 2.181 179.122 176.870 0.119 0.000 1.073 459 L CA 1.609 56.295 54.840 -0.256 0.000 0.748 459 L CB -0.727 41.068 42.059 -0.440 0.000 0.891 459 L HN 0.355 nan 8.230 nan 0.000 0.431 460 D N 0.008 120.356 120.400 -0.086 0.000 2.104 460 D HA -0.207 4.432 4.640 -0.001 0.000 0.194 460 D C 2.113 178.311 176.300 -0.170 0.000 0.994 460 D CA 1.321 55.265 54.000 -0.094 0.000 0.830 460 D CB -0.107 40.592 40.800 -0.170 0.000 0.959 460 D HN 0.149 nan 8.370 nan 0.000 0.452 461 L N -0.374 120.610 121.223 -0.399 0.000 2.093 461 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 461 L C 1.319 177.872 176.870 -0.528 0.000 1.085 461 L CA 1.375 55.834 54.840 -0.635 0.000 0.755 461 L CB -0.266 41.066 42.059 -1.211 0.000 0.904 461 L HN 0.156 nan 8.230 nan 0.000 0.435 462 W N -0.699 120.543 121.300 -0.096 0.000 2.991 462 W HA 0.235 4.895 4.660 -0.001 0.000 0.391 462 W C 1.889 178.317 176.519 -0.152 0.000 1.054 462 W CA -0.521 56.684 57.345 -0.233 0.000 1.856 462 W CB -0.321 28.762 29.460 -0.629 0.000 1.132 462 W HN 0.218 nan 8.180 nan 0.000 0.601 463 K N 1.130 121.602 120.400 0.120 0.000 2.089 463 K HA -0.207 4.113 4.320 -0.001 0.000 0.210 463 K C 1.301 177.712 176.600 -0.315 0.000 1.048 463 K CA 1.580 57.734 56.287 -0.222 0.000 0.926 463 K CB 0.273 32.706 32.500 -0.112 0.000 0.714 463 K HN -0.083 nan 8.250 nan 0.000 0.448 464 E N 0.183 120.294 120.200 -0.148 0.000 2.479 464 E HA 0.011 4.360 4.350 -0.001 0.000 0.193 464 E C -0.114 176.424 176.600 -0.103 0.000 1.049 464 E CA 0.125 56.444 56.400 -0.135 0.000 0.870 464 E CB 0.442 30.086 29.700 -0.094 0.000 0.944 464 E HN 0.233 nan 8.360 nan 0.000 0.492 465 I N 2.280 122.825 120.570 -0.042 0.000 2.281 465 I HA 0.178 4.347 4.170 -0.001 0.000 0.293 465 I C 0.107 176.179 176.117 -0.076 0.000 1.085 465 I CA -0.205 61.076 61.300 -0.032 0.000 1.257 465 I CB 0.071 38.149 38.000 0.129 0.000 1.430 465 I HN -0.297 nan 8.210 nan 0.000 0.489 466 K N 5.493 125.724 120.400 -0.281 0.000 2.328 466 K HA 0.660 4.979 4.320 -0.001 0.000 0.246 466 K C -1.173 175.104 176.600 -0.539 0.000 0.955 466 K CA -0.383 55.750 56.287 -0.256 0.000 0.817 466 K CB 2.146 34.578 32.500 -0.115 0.000 1.208 466 K HN 0.134 nan 8.250 nan 0.000 0.432 467 F N 1.205 121.247 119.950 0.152 0.000 2.430 467 F HA 0.339 4.865 4.527 -0.001 0.000 0.362 467 F C -0.280 175.579 175.800 0.100 0.000 1.103 467 F CA -0.505 57.604 58.000 0.181 0.000 1.045 467 F CB 1.584 40.723 39.000 0.232 0.000 1.276 467 F HN 0.373 nan 8.300 nan 0.000 0.444 468 E N 3.676 123.842 120.200 -0.056 0.000 2.518 468 E HA 0.451 4.800 4.350 -0.001 0.000 0.240 468 E C -1.363 175.008 176.600 -0.382 0.000 0.996 468 E CA -0.236 56.090 56.400 -0.124 0.000 0.768 468 E CB 0.926 30.535 29.700 -0.152 0.000 1.329 468 E HN 0.354 nan 8.360 nan 0.000 0.408 469 F N 0.255 120.259 119.950 0.090 0.000 2.631 469 F HA 0.325 4.852 4.527 -0.001 0.000 0.328 469 F C 0.568 176.403 175.800 0.058 0.000 1.067 469 F CA -1.062 56.980 58.000 0.070 0.000 0.969 469 F CB 1.127 40.173 39.000 0.076 0.000 1.332 469 F HN 0.107 nan 8.300 nan 0.000 0.490 470 E N 0.929 121.281 120.200 0.254 0.000 2.366 470 E HA 0.023 4.373 4.350 -0.001 0.000 0.266 470 E C -0.481 176.206 176.600 0.145 0.000 1.015 470 E CA -0.049 56.444 56.400 0.154 0.000 0.906 470 E CB 0.879 30.651 29.700 0.120 0.000 0.979 470 E HN 0.615 nan 8.360 nan 0.000 0.443 471 T N 5.269 119.893 114.554 0.117 0.000 2.761 471 T HA 0.087 4.436 4.350 -0.001 0.000 0.296 471 T C 1.509 176.262 174.700 0.089 0.000 0.934 471 T CA -0.792 61.370 62.100 0.104 0.000 1.091 471 T CB 0.429 69.358 68.868 0.102 0.000 0.896 471 T HN 0.467 nan 8.240 nan 0.000 0.515 472 M N 3.098 122.745 119.600 0.077 0.000 2.175 472 M HA 0.038 4.518 4.480 -0.001 0.000 0.264 472 M C 1.192 177.545 176.300 0.088 0.000 1.063 472 M CA 0.954 56.296 55.300 0.070 0.000 1.119 472 M CB -1.294 31.336 32.600 0.050 0.000 1.377 472 M HN 0.589 nan 8.290 nan 0.000 0.415 473 D N 2.540 123.001 120.400 0.103 0.000 2.688 473 D HA 0.112 4.751 4.640 -0.001 0.000 0.228 473 D C -0.474 175.924 176.300 0.163 0.000 1.116 473 D CA 0.039 54.125 54.000 0.144 0.000 1.023 473 D CB -0.100 40.791 40.800 0.153 0.000 1.100 473 D HN 0.190 nan 8.370 nan 0.000 0.487 474 K N 1.196 121.677 120.400 0.135 0.000 2.270 474 K HA 0.247 4.566 4.320 -0.001 0.000 0.276 474 K C 0.701 177.389 176.600 0.146 0.000 1.023 474 K CA -0.652 55.708 56.287 0.121 0.000 0.955 474 K CB 1.517 34.071 32.500 0.090 0.000 0.975 474 K HN 0.199 nan 8.250 nan 0.000 0.471 475 L N 0.000 121.302 121.223 0.131 0.000 2.949 475 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 475 L CA 0.000 54.923 54.840 0.138 0.000 0.813 475 L CB 0.000 42.109 42.059 0.083 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502