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_E 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 0.908 123.739 122.820 0.017 0.000 2.279 10 A HA 0.759 5.081 4.320 0.003 0.000 0.306 10 A C 0.016 177.623 177.584 0.039 0.000 1.300 10 A CA -0.098 51.955 52.037 0.026 0.000 0.925 10 A CB -0.338 18.680 19.000 0.029 0.000 1.152 10 A HN 1.316 nan 8.150 nan 0.000 0.544 11 A N 2.567 125.411 122.820 0.040 0.000 2.357 11 A HA 0.790 5.112 4.320 0.003 0.000 0.295 11 A C 0.307 177.926 177.584 0.059 0.000 1.121 11 A CA 0.004 52.068 52.037 0.045 0.000 0.742 11 A CB 0.427 19.445 19.000 0.030 0.000 1.181 11 A HN 2.687 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 4.071 3.960 0.003 0.000 0.684 12 G HA3 0.109 4.071 3.960 0.003 0.000 0.684 12 G C -0.797 174.200 174.900 0.161 0.000 1.156 12 G CA -0.415 44.742 45.100 0.095 0.000 1.048 12 G HN 1.839 nan 8.290 nan 0.000 0.462 13 Y N 4.197 124.523 120.300 0.043 0.000 2.436 13 Y HA 0.602 5.154 4.550 0.003 0.000 0.343 13 Y C 0.353 176.272 175.900 0.032 0.000 1.008 13 Y CA -1.300 56.836 58.100 0.060 0.000 1.241 13 Y CB 1.068 39.589 38.460 0.102 0.000 1.153 13 Y HN 0.534 nan 8.280 nan 0.000 0.521 14 K N 6.662 126.956 120.400 -0.178 0.000 2.507 14 K HA 0.670 4.992 4.320 0.003 0.000 0.253 14 K C -1.228 175.109 176.600 -0.439 0.000 0.969 14 K CA -0.418 55.672 56.287 -0.328 0.000 0.908 14 K CB 0.844 33.270 32.500 -0.123 0.000 1.127 14 K HN 0.785 nan 8.250 nan 0.000 0.437 15 A N 2.506 124.915 122.820 -0.685 0.000 2.425 15 A HA 0.602 4.924 4.320 0.003 0.000 0.242 15 A C 0.544 178.017 177.584 -0.184 0.000 1.077 15 A CA 0.821 52.611 52.037 -0.411 0.000 0.781 15 A CB -0.132 18.660 19.000 -0.346 0.000 1.020 15 A HN 1.204 nan 8.150 nan 0.000 0.494 16 G N -0.991 107.737 108.800 -0.120 0.000 2.392 16 G HA2 0.297 4.259 3.960 0.003 0.000 0.677 16 G HA3 0.297 4.259 3.960 0.003 0.000 0.677 16 G C -0.828 174.007 174.900 -0.108 0.000 1.334 16 G CA -0.496 44.544 45.100 -0.099 0.000 0.961 16 G HN 1.466 nan 8.290 nan 0.000 0.616 17 V N 1.886 121.754 119.914 -0.076 0.000 2.470 17 V HA 0.360 4.482 4.120 0.003 0.000 0.276 17 V C 0.829 176.885 176.094 -0.065 0.000 1.040 17 V CA 0.257 62.516 62.300 -0.069 0.000 1.008 17 V CB 0.709 32.550 31.823 0.030 0.000 0.990 17 V HN 0.720 nan 8.190 nan 0.000 0.477 18 K N 2.744 123.088 120.400 -0.093 0.000 2.280 18 K HA 0.508 4.830 4.320 0.003 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 1.077 33.551 32.500 -0.042 0.000 1.194 18 K HN 0.439 nan 8.250 nan 0.000 0.458 19 D N 0.644 121.008 120.400 -0.060 0.000 2.389 19 D HA 0.021 4.663 4.640 0.003 0.000 0.247 19 D C 0.801 177.111 176.300 0.017 0.000 1.128 19 D CA 0.264 54.242 54.000 -0.038 0.000 0.884 19 D CB 0.395 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 1.513 121.876 120.300 0.104 0.000 2.224 20 Y HA -0.208 4.344 4.550 0.003 0.000 0.289 20 Y C 2.305 178.320 175.900 0.191 0.000 1.146 20 Y CA 1.131 59.328 58.100 0.161 0.000 1.182 20 Y CB -0.300 38.193 38.460 0.055 0.000 0.983 20 Y HN 0.459 nan 8.280 nan 0.000 0.524 21 K N 0.252 120.813 120.400 0.269 0.000 2.442 21 K HA -0.096 4.226 4.320 0.003 0.000 0.198 21 K C 1.578 178.302 176.600 0.207 0.000 1.042 21 K CA 1.241 57.668 56.287 0.234 0.000 0.958 21 K CB -0.558 32.020 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 4.252 4.340 0.003 0.000 0.208 22 L C 1.889 178.777 176.870 0.030 0.000 1.085 22 L CA 1.430 56.318 54.840 0.080 0.000 0.755 22 L CB -0.378 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 -2.693 111.868 114.554 0.012 0.000 3.042 23 T HA 0.016 4.368 4.350 0.003 0.000 0.245 23 T C 1.278 175.755 174.700 -0.371 0.000 1.029 23 T CA 0.508 62.472 62.100 -0.227 0.000 1.120 23 T CB 0.088 68.723 68.868 -0.388 0.000 0.917 23 T HN 0.139 nan 8.240 nan 0.000 0.467 24 Y N -0.620 119.726 120.300 0.077 0.000 2.498 24 Y HA 0.373 4.925 4.550 0.003 0.000 0.259 24 Y C 0.335 176.284 175.900 0.082 0.000 1.086 24 Y CA -1.086 57.039 58.100 0.042 0.000 1.287 24 Y CB 0.336 38.807 38.460 0.020 0.000 1.146 24 Y HN 0.144 nan 8.280 nan 0.000 0.523 25 Y N 2.560 122.915 120.300 0.092 0.000 2.452 25 Y HA 0.340 4.891 4.550 0.003 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 0.407 38.896 38.460 0.048 0.000 1.136 25 Y HN 0.025 nan 8.280 nan 0.000 0.523 26 T N 6.026 120.425 114.554 -0.259 0.000 3.317 26 T HA 0.279 4.631 4.350 0.003 0.000 0.361 26 T C -2.325 172.262 174.700 -0.187 0.000 1.499 26 T CA -1.764 60.206 62.100 -0.216 0.000 1.529 26 T CB 1.100 69.937 68.868 -0.053 0.000 0.997 26 T HN 0.474 nan 8.240 nan 0.000 0.624 27 P HA 0.078 nan 4.420 nan 0.000 0.234 27 P C 0.349 177.654 177.300 0.008 0.000 1.167 27 P CA 0.544 63.521 63.100 -0.205 0.000 0.763 27 P CB 0.278 31.787 31.700 -0.319 0.000 0.835 28 D N -1.783 118.618 120.400 0.001 0.000 2.339 28 D HA -0.004 4.638 4.640 0.003 0.000 0.217 28 D C 0.270 176.608 176.300 0.063 0.000 1.050 28 D CA -0.147 53.872 54.000 0.032 0.000 0.856 28 D CB -0.386 40.417 40.800 0.005 0.000 0.922 28 D HN 0.150 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 0.119 4.671 4.550 0.003 0.000 0.330 29 Y C 0.006 175.870 175.900 -0.060 0.000 1.129 29 Y CA 0.161 58.250 58.100 -0.019 0.000 1.365 29 Y CB 0.648 39.108 38.460 0.001 0.000 1.233 29 Y HN -0.338 nan 8.280 nan 0.000 0.529 30 T N 9.444 123.467 114.554 -0.884 0.000 2.772 30 T HA 0.311 4.663 4.350 0.003 0.000 0.288 30 T C -2.635 171.419 174.700 -1.078 0.000 0.994 30 T CA -1.451 60.213 62.100 -0.727 0.000 0.951 30 T CB 0.999 69.630 68.868 -0.396 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 -0.120 177.014 177.300 -0.276 0.000 1.193 31 P CA -0.266 62.559 63.100 -0.458 0.000 0.763 31 P CB 0.538 32.013 31.700 -0.374 0.000 0.810 32 K N 1.886 122.210 120.400 -0.125 0.000 2.138 32 K HA 0.086 4.408 4.320 0.003 0.000 0.251 32 K C 0.979 177.550 176.600 -0.049 0.000 1.015 32 K CA -0.185 56.059 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 0.340 120.716 120.400 -0.040 0.000 2.348 33 D HA -0.094 4.548 4.640 0.003 0.000 0.216 33 D C 1.196 177.488 176.300 -0.013 0.000 0.970 33 D CA 1.169 55.151 54.000 -0.031 0.000 0.889 33 D CB 0.026 40.811 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 0.049 4.401 4.350 0.003 0.000 0.250 34 T C 0.504 175.240 174.700 0.060 0.000 1.074 34 T CA -0.508 61.612 62.100 0.034 0.000 0.988 34 T CB 0.397 69.291 68.868 0.044 0.000 0.988 34 T HN -0.243 nan 8.240 nan 0.000 0.530 35 D N 1.732 122.161 120.400 0.048 0.000 2.382 35 D HA 0.274 4.916 4.640 0.003 0.000 0.245 35 D C -0.315 176.005 176.300 0.034 0.000 1.120 35 D CA -0.398 53.652 54.000 0.083 0.000 0.890 35 D CB 1.175 42.022 40.800 0.078 0.000 1.201 35 D HN 0.290 nan 8.370 nan 0.000 0.433 36 L N 2.944 124.224 121.223 0.096 0.000 2.281 36 L HA 0.305 4.647 4.340 0.003 0.000 0.285 36 L C -0.912 175.964 176.870 0.010 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 5.694 126.770 121.223 -0.245 0.000 2.317 37 L HA 0.798 5.140 4.340 0.003 0.000 0.281 37 L C -0.130 176.546 176.870 -0.322 0.000 1.024 37 L CA -0.575 54.111 54.840 -0.256 0.000 0.810 37 L CB 1.607 43.270 42.059 -0.660 0.000 1.240 37 L HN 0.700 nan 8.230 nan 0.000 0.427 38 A N 2.250 125.118 122.820 0.080 0.000 2.365 38 A HA 0.884 5.206 4.320 0.003 0.000 0.318 38 A C -0.668 177.022 177.584 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 0.056 0.000 1.248 38 A HN 0.754 nan 8.150 nan 0.000 0.442 39 A N 1.719 124.507 122.820 -0.053 0.000 2.273 39 A HA 0.747 5.069 4.320 0.003 0.000 0.315 39 A C -1.081 176.214 177.584 -0.481 0.000 1.256 39 A CA -0.283 51.494 52.037 -0.434 0.000 0.851 39 A CB -0.052 18.410 19.000 -0.895 0.000 1.172 39 A HN 0.629 nan 8.150 nan 0.000 0.508 40 F N 1.270 121.108 119.950 -0.187 0.000 2.450 40 F HA 0.565 5.093 4.527 0.003 0.000 0.332 40 F C 0.815 176.725 175.800 0.182 0.000 1.093 40 F CA -0.404 57.582 58.000 -0.023 0.000 1.003 40 F CB 1.816 40.794 39.000 -0.037 0.000 1.151 40 F HN 0.577 nan 8.300 nan 0.000 0.474 41 R N 4.487 125.208 120.500 0.368 0.000 2.265 41 R HA 0.524 4.866 4.340 0.003 0.000 0.328 41 R C -1.714 174.716 176.300 0.216 0.000 0.969 41 R CA -0.394 55.844 56.100 0.230 0.000 0.832 41 R CB 0.612 31.015 30.300 0.171 0.000 1.139 41 R HN 0.655 nan 8.270 nan 0.000 0.457 42 F N 0.035 119.989 119.950 0.005 0.000 2.613 42 F HA 0.601 5.130 4.527 0.003 0.000 0.314 42 F C -1.290 174.541 175.800 0.052 0.000 1.075 42 F CA -1.001 57.000 58.000 0.002 0.000 0.945 42 F CB 1.998 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 3.108 118.897 115.700 0.148 0.000 2.596 43 S HA 0.580 5.052 4.470 0.003 0.000 0.318 43 S C -2.814 171.925 174.600 0.233 0.000 1.097 43 S CA -1.298 56.963 58.200 0.101 0.000 1.080 43 S CB 1.566 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 0.160 nan 4.420 nan 0.000 0.275 44 P C -0.474 176.900 177.300 0.124 0.000 1.228 44 P CA -0.608 62.618 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 2.025 121.883 119.800 0.097 0.000 2.428 45 Q HA 0.094 4.436 4.340 0.003 0.000 0.276 45 Q C -1.966 174.067 176.000 0.055 0.000 1.059 45 Q CA -1.103 54.739 55.803 0.065 0.000 0.923 45 Q CB -0.818 27.952 28.738 0.053 0.000 1.283 45 Q HN 0.343 nan 8.270 nan 0.000 0.447 46 P HA -0.051 nan 4.420 nan 0.000 0.260 46 P C 0.480 177.797 177.300 0.029 0.000 1.185 46 P CA 1.214 64.334 63.100 0.034 0.000 0.763 46 P CB 0.149 31.864 31.700 0.024 0.000 0.776 47 G N 1.650 110.467 108.800 0.028 0.000 2.176 47 G HA2 -0.201 3.761 3.960 0.003 0.000 0.253 47 G HA3 -0.201 3.761 3.960 0.003 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 0.022 0.000 0.641 47 G HN 0.516 nan 8.290 nan 0.000 0.530 48 V N 3.280 123.212 119.914 0.030 0.000 2.333 48 V HA 0.473 4.595 4.120 0.003 0.000 0.274 48 V C -1.302 174.796 176.094 0.005 0.000 1.028 48 V CA -1.548 60.769 62.300 0.029 0.000 0.851 48 V CB 1.407 33.261 31.823 0.051 0.000 1.000 48 V HN 0.245 nan 8.190 nan 0.000 0.456 49 P HA 0.177 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 -0.134 62.920 63.100 -0.075 0.000 0.780 49 P CB 1.383 33.040 31.700 -0.071 0.000 0.901 50 A N 3.568 126.235 122.820 -0.257 0.000 1.917 50 A HA -0.251 4.071 4.320 0.003 0.000 0.219 50 A C 1.663 179.099 177.584 -0.247 0.000 1.182 50 A CA 2.364 54.187 52.037 -0.356 0.000 0.633 50 A CB -1.379 17.060 19.000 -0.934 0.000 0.819 50 A HN 0.649 nan 8.150 nan 0.000 0.448 51 D N -0.526 119.656 120.400 -0.362 0.000 2.224 51 D HA -0.133 4.509 4.640 0.003 0.000 0.205 51 D C 1.617 177.669 176.300 -0.414 0.000 0.965 51 D CA 1.398 55.035 54.000 -0.605 0.000 0.852 51 D CB -0.500 39.725 40.800 -0.959 0.000 0.947 51 D HN 0.513 nan 8.370 nan 0.000 0.494 52 E N 0.757 120.821 120.200 -0.226 0.000 2.158 52 E HA 0.061 4.413 4.350 0.003 0.000 0.191 52 E C 1.975 178.503 176.600 -0.120 0.000 0.982 52 E CA 1.238 57.586 56.400 -0.087 0.000 0.823 52 E CB -0.432 29.262 29.700 -0.011 0.000 0.766 52 E HN 0.258 nan 8.360 nan 0.000 0.468 53 A N 0.234 122.936 122.820 -0.196 0.000 1.898 53 A HA 0.027 4.349 4.320 0.003 0.000 0.216 53 A C 2.446 179.654 177.584 -0.627 0.000 1.181 53 A CA 1.559 53.395 52.037 -0.335 0.000 0.620 53 A CB -1.269 17.597 19.000 -0.224 0.000 0.819 53 A HN 0.399 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 3.998 3.960 0.003 0.000 0.218 54 G HA3 0.035 3.998 3.960 0.003 0.000 0.218 54 G C 1.677 176.348 174.900 -0.381 0.000 1.146 54 G CA 1.335 46.094 45.100 -0.569 0.000 0.769 54 G HN 0.776 nan 8.290 nan 0.000 0.547 55 A N 0.960 123.635 122.820 -0.242 0.000 1.968 55 A HA 0.416 4.738 4.320 0.003 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 0.120 0.000 0.812 55 A HN 0.675 nan 8.150 nan 0.000 0.446 56 A N 0.118 122.596 122.820 -0.569 0.000 1.933 56 A HA -0.071 4.251 4.320 0.003 0.000 0.218 56 A C 2.079 179.011 177.584 -1.086 0.000 1.175 56 A CA 1.499 52.843 52.037 -1.154 0.000 0.628 56 A CB -0.552 17.967 19.000 -0.802 0.000 0.814 56 A HN 0.490 nan 8.150 nan 0.000 0.444 57 I N -0.310 119.754 120.570 -0.843 0.000 2.202 57 I HA -0.253 3.919 4.170 0.003 0.000 0.242 57 I C 2.970 178.739 176.117 -0.580 0.000 1.091 57 I CA 1.086 61.907 61.300 -0.799 0.000 1.368 57 I CB -0.334 37.118 38.000 -0.914 0.000 1.058 57 I HN 0.334 nan 8.210 nan 0.000 0.410 58 A N 0.629 123.172 122.820 -0.461 0.000 1.933 58 A HA -0.162 4.160 4.320 0.003 0.000 0.218 58 A C 2.481 179.819 177.584 -0.411 0.000 1.175 58 A CA 1.926 53.784 52.037 -0.299 0.000 0.628 58 A CB -0.779 18.125 19.000 -0.160 0.000 0.814 58 A HN 0.450 nan 8.150 nan 0.000 0.444 59 A N -0.298 122.046 122.820 -0.795 0.000 1.840 59 A HA -0.079 4.243 4.320 0.003 0.000 0.214 59 A C 1.950 179.147 177.584 -0.645 0.000 1.198 59 A CA 1.874 53.151 52.037 -1.268 0.000 0.608 59 A CB -0.489 17.676 19.000 -1.391 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 4.286 4.350 0.003 0.000 0.198 60 E C 1.650 178.140 176.600 -0.185 0.000 1.046 60 E CA 1.190 57.391 56.400 -0.332 0.000 0.870 60 E CB -0.215 29.227 29.700 -0.430 0.000 0.818 60 E HN 0.625 nan 8.360 nan 0.000 0.527 61 S N -1.812 113.792 115.700 -0.160 0.000 2.540 61 S HA 0.140 4.612 4.470 0.003 0.000 0.218 61 S C 1.341 176.016 174.600 0.125 0.000 0.977 61 S CA 0.277 58.489 58.200 0.019 0.000 0.918 61 S CB 0.253 63.520 63.200 0.111 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 0.062 0.000 3.600 62 S HA 0.193 4.665 4.470 0.003 0.000 0.179 62 S C 1.468 176.086 174.600 0.030 0.000 0.816 62 S CA 0.612 58.875 58.200 0.105 0.000 0.916 62 S CB -0.305 63.009 63.200 0.190 0.000 1.164 62 S HN 0.506 nan 8.310 nan 0.000 0.709 63 T N -1.101 113.481 114.554 0.046 0.000 2.969 63 T HA 0.452 4.804 4.350 0.003 0.000 0.258 63 T C 0.861 175.598 174.700 0.062 0.000 0.962 63 T CA 0.329 62.469 62.100 0.067 0.000 0.903 63 T CB -0.073 68.889 68.868 0.157 0.000 1.177 63 T HN 0.676 nan 8.240 nan 0.000 0.511 64 G N 0.462 109.258 108.800 -0.006 0.000 2.451 64 G HA2 0.543 4.505 3.960 0.003 0.000 0.303 64 G HA3 0.543 4.505 3.960 0.003 0.000 0.303 64 G C -0.715 174.218 174.900 0.055 0.000 1.166 64 G CA -0.185 44.936 45.100 0.035 0.000 0.884 64 G HN 0.267 nan 8.290 nan 0.000 0.514 65 T N -0.770 113.860 114.554 0.127 0.000 2.676 65 T HA 0.441 4.793 4.350 0.003 0.000 0.269 65 T C 0.762 175.607 174.700 0.243 0.000 0.952 65 T CA -0.424 61.794 62.100 0.197 0.000 1.040 65 T CB 0.777 69.710 68.868 0.108 0.000 1.352 65 T HN 0.674 nan 8.240 nan 0.000 0.554 66 W N 1.190 122.590 121.300 0.167 0.000 2.658 66 W HA 0.225 4.886 4.660 0.003 0.000 0.263 66 W C 0.144 176.660 176.519 -0.006 0.000 1.274 66 W CA 0.609 58.017 57.345 0.106 0.000 1.343 66 W CB -1.489 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 -0.444 113.559 114.554 -0.919 0.000 2.927 67 T HA 0.407 4.759 4.350 0.003 0.000 0.286 67 T C -0.215 174.285 174.700 -0.333 0.000 1.040 67 T CA -0.550 61.145 62.100 -0.674 0.000 1.010 67 T CB 1.895 70.185 68.868 -0.964 0.000 1.177 67 T HN -0.218 nan 8.240 nan 0.000 0.546 68 T N 2.090 116.539 114.554 -0.174 0.000 2.814 68 T HA 0.504 4.856 4.350 0.003 0.000 0.297 68 T C 0.298 175.051 174.700 0.088 0.000 0.956 68 T CA -0.621 61.476 62.100 -0.006 0.000 1.123 68 T CB 0.260 69.167 68.868 0.065 0.000 0.902 68 T HN 0.755 nan 8.240 nan 0.000 0.528 69 V N 2.657 122.591 119.914 0.032 0.000 2.581 69 V HA 0.492 4.614 4.120 0.003 0.000 0.303 69 V C 1.118 177.080 176.094 -0.220 0.000 1.041 69 V CA -1.179 61.075 62.300 -0.076 0.000 0.907 69 V CB 1.396 33.091 31.823 -0.213 0.000 0.994 69 V HN 1.038 nan 8.190 nan 0.000 0.442 70 W N 2.391 123.316 121.300 -0.626 0.000 2.465 70 W HA -0.076 4.586 4.660 0.003 0.000 0.268 70 W C 1.395 177.705 176.519 -0.349 0.000 1.242 70 W CA 1.347 58.180 57.345 -0.853 0.000 1.248 70 W CB -1.714 26.960 29.460 -1.309 0.000 1.118 70 W HN 0.755 nan 8.180 nan 0.000 0.587 71 T N -0.914 112.949 114.554 -1.151 0.000 2.962 71 T HA -0.209 4.143 4.350 0.003 0.000 0.270 71 T C 1.115 175.550 174.700 -0.441 0.000 1.088 71 T CA 1.593 63.065 62.100 -1.048 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 1.818 122.045 120.400 -0.288 0.000 2.158 72 D HA -0.054 4.588 4.640 0.003 0.000 0.197 72 D C 1.773 178.031 176.300 -0.069 0.000 0.995 72 D CA 0.892 54.817 54.000 -0.125 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 -0.099 121.094 121.223 -0.051 0.000 2.552 73 L HA 0.039 4.381 4.340 0.003 0.000 0.227 73 L C 2.059 178.941 176.870 0.020 0.000 1.146 73 L CA 0.042 54.891 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 -1.113 120.097 121.223 -0.022 0.000 2.395 74 L HA -0.016 4.326 4.340 0.003 0.000 0.218 74 L C 1.343 178.211 176.870 -0.003 0.000 1.130 74 L CA 0.645 55.480 54.840 -0.008 0.000 0.826 74 L CB -0.134 41.889 42.059 -0.060 0.000 0.941 74 L HN 0.223 nan 8.230 nan 0.000 0.451 75 T N -2.070 112.482 114.554 -0.003 0.000 2.807 75 T HA 0.182 4.534 4.350 0.003 0.000 0.277 75 T C -1.212 173.531 174.700 0.071 0.000 1.006 75 T CA -0.625 61.505 62.100 0.050 0.000 1.006 75 T CB 1.806 70.705 68.868 0.052 0.000 1.274 75 T HN -0.132 nan 8.240 nan 0.000 0.569 76 D N 2.275 122.750 120.400 0.126 0.000 2.485 76 D HA 0.248 4.890 4.640 0.003 0.000 0.229 76 D C 1.159 177.495 176.300 0.060 0.000 1.101 76 D CA -0.393 53.635 54.000 0.047 0.000 0.906 76 D CB 0.248 41.035 40.800 -0.023 0.000 1.019 76 D HN 0.311 nan 8.370 nan 0.000 0.516 77 M N 1.308 120.938 119.600 0.051 0.000 2.374 77 M HA -0.080 4.402 4.480 0.003 0.000 0.264 77 M C 0.789 177.076 176.300 -0.023 0.000 1.067 77 M CA 0.809 56.143 55.300 0.058 0.000 1.103 77 M CB -0.238 32.370 32.600 0.012 0.000 1.402 77 M HN 0.300 nan 8.290 nan 0.000 0.444 78 D N 0.555 120.911 120.400 -0.074 0.000 2.178 78 D HA -0.144 4.498 4.640 0.003 0.000 0.201 78 D C 1.917 178.130 176.300 -0.145 0.000 0.980 78 D CA 1.001 54.935 54.000 -0.111 0.000 0.842 78 D CB -0.069 40.676 40.800 -0.091 0.000 0.948 78 D HN 0.433 nan 8.370 nan 0.000 0.472 79 R N -1.185 119.185 120.500 -0.216 0.000 2.317 79 R HA 0.055 4.397 4.340 0.003 0.000 0.208 79 R C 0.820 176.848 176.300 -0.453 0.000 0.914 79 R CA 0.816 56.706 56.100 -0.349 0.000 1.060 79 R CB -0.299 29.730 30.300 -0.453 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 -0.043 0.000 2.467 80 Y HA 0.273 4.825 4.550 0.003 0.000 0.259 80 Y C 0.035 175.929 175.900 -0.011 0.000 1.084 80 Y CA -0.728 57.352 58.100 -0.032 0.000 1.275 80 Y CB 0.322 38.763 38.460 -0.032 0.000 1.208 80 Y HN 0.024 nan 8.280 nan 0.000 0.511 81 K N 0.981 121.448 120.400 0.112 0.000 2.295 81 K HA 0.427 4.749 4.320 0.003 0.000 0.270 81 K C 0.632 177.269 176.600 0.061 0.000 1.011 81 K CA -0.103 56.271 56.287 0.146 0.000 0.953 81 K CB 0.785 33.295 32.500 0.017 0.000 0.956 81 K HN 0.112 nan 8.250 nan 0.000 0.477 82 G N 2.058 110.926 108.800 0.115 0.000 2.491 82 G HA2 0.147 4.109 3.960 0.003 0.000 0.242 82 G HA3 0.147 4.109 3.960 0.003 0.000 0.242 82 G C -0.973 173.873 174.900 -0.090 0.000 1.266 82 G CA -0.684 44.332 45.100 -0.140 0.000 0.844 82 G HN 0.565 nan 8.290 nan 0.000 0.571 83 K N 1.173 121.438 120.400 -0.225 0.000 2.572 83 K HA 0.251 4.573 4.320 0.003 0.000 0.244 83 K C -0.517 176.122 176.600 0.066 0.000 0.965 83 K CA -0.503 55.706 56.287 -0.131 0.000 0.943 83 K CB 1.532 33.772 32.500 -0.434 0.000 1.154 83 K HN 0.454 nan 8.250 nan 0.000 0.447 84 C N 5.230 124.591 119.300 0.101 0.000 2.663 84 C HA 0.077 4.539 4.460 0.003 0.000 0.379 84 C C 1.061 176.200 174.990 0.249 0.000 1.255 84 C CA -0.302 58.818 59.018 0.169 0.000 1.503 84 C CB -1.522 26.317 27.740 0.165 0.000 2.187 84 C HN 0.936 nan 8.230 nan 0.000 0.580 85 Y N 2.654 123.097 120.300 0.238 0.000 2.449 85 Y HA 0.442 4.993 4.550 0.003 0.000 0.254 85 Y C 0.756 176.845 175.900 0.315 0.000 1.140 85 Y CA -0.110 58.127 58.100 0.229 0.000 1.272 85 Y CB -0.487 38.170 38.460 0.328 0.000 1.114 85 Y HN 0.758 nan 8.280 nan 0.000 0.525 86 H N 0.388 119.371 119.070 -0.145 0.000 3.086 86 H HA 0.516 5.074 4.556 0.003 0.000 0.353 86 H C -1.988 173.502 175.328 0.269 0.000 1.134 86 H CA -0.912 55.150 56.048 0.024 0.000 1.248 86 H CB 1.828 31.467 29.762 -0.205 0.000 1.878 86 H HN 0.152 nan 8.280 nan 0.000 0.527 87 I N 4.286 124.618 120.570 -0.397 0.000 2.533 87 I HA 0.221 4.393 4.170 0.003 0.000 0.290 87 I C -0.758 175.216 176.117 -0.238 0.000 1.056 87 I CA -0.647 60.606 61.300 -0.078 0.000 1.057 87 I CB 2.375 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 7.199 127.515 120.200 0.193 0.000 2.314 88 E HA 0.564 4.916 4.350 0.003 0.000 0.272 88 E C -2.951 173.811 176.600 0.271 0.000 0.884 88 E CA -2.182 54.386 56.400 0.279 0.000 0.753 88 E CB 2.648 32.650 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 -0.441 62.549 63.100 -0.184 0.000 0.781 89 P CB 1.043 32.629 31.700 -0.191 0.000 0.906 90 V N 2.033 121.696 119.914 -0.419 0.000 2.529 90 V HA 0.123 4.245 4.120 0.003 0.000 0.292 90 V C 1.456 177.443 176.094 -0.179 0.000 1.028 90 V CA 0.273 62.374 62.300 -0.331 0.000 1.074 90 V CB -0.723 30.803 31.823 -0.494 0.000 0.958 90 V HN 0.748 nan 8.190 nan 0.000 0.481 91 Q N 3.820 123.587 119.800 -0.055 0.000 2.242 91 Q HA 0.411 4.753 4.340 0.003 0.000 0.284 91 Q C 1.472 177.441 176.000 -0.051 0.000 1.130 91 Q CA 0.704 56.487 55.803 -0.033 0.000 0.940 91 Q CB -0.395 28.351 28.738 0.014 0.000 1.146 91 Q HN 2.027 nan 8.270 nan 0.000 0.388 92 G N 1.371 110.131 108.800 -0.066 0.000 2.241 92 G HA2 -0.203 3.759 3.960 0.003 0.000 0.244 92 G HA3 -0.203 3.759 3.960 0.003 0.000 0.244 92 G C 0.315 175.167 174.900 -0.080 0.000 0.998 92 G CA 0.265 45.330 45.100 -0.058 0.000 0.621 92 G HN 0.862 nan 8.290 nan 0.000 0.519 93 E N 1.733 121.859 120.200 -0.123 0.000 2.200 93 E HA 0.517 4.869 4.350 0.003 0.000 0.283 93 E C 0.487 176.969 176.600 -0.196 0.000 1.015 93 E CA -0.416 55.894 56.400 -0.150 0.000 0.819 93 E CB 0.461 30.050 29.700 -0.185 0.000 1.081 93 E HN 0.613 nan 8.360 nan 0.000 0.397 94 E N 3.115 123.225 120.200 -0.150 0.000 2.289 94 E HA 0.155 4.507 4.350 0.003 0.000 0.278 94 E C -0.241 176.248 176.600 -0.186 0.000 1.032 94 E CA -0.542 55.768 56.400 -0.150 0.000 0.854 94 E CB 0.458 30.108 29.700 -0.084 0.000 1.046 94 E HN 0.491 nan 8.360 nan 0.000 0.409 95 N N 1.203 119.762 118.700 -0.235 0.000 2.735 95 N HA -0.205 4.537 4.740 0.003 0.000 0.248 95 N C -1.742 173.563 175.510 -0.342 0.000 1.083 95 N CA 1.128 54.066 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 0.027 115.318 115.700 -0.680 0.000 2.532 96 S HA 0.740 5.212 4.470 0.003 0.000 0.299 96 S C -1.418 172.513 174.600 -1.114 0.000 1.105 96 S CA -0.451 57.339 58.200 -0.682 0.000 1.018 96 S CB 0.625 63.560 63.200 -0.442 0.000 1.021 96 S HN 0.270 nan 8.310 nan 0.000 0.483 97 Y N 1.610 121.453 120.300 -0.762 0.000 2.545 97 Y HA 0.604 5.156 4.550 0.003 0.000 0.348 97 Y C -0.805 174.728 175.900 -0.612 0.000 1.002 97 Y CA -1.137 56.533 58.100 -0.717 0.000 1.039 97 Y CB 0.902 38.845 38.460 -0.862 0.000 1.271 97 Y HN 0.494 nan 8.280 nan 0.000 0.467 98 F N 1.502 121.514 119.950 0.104 0.000 2.410 98 F HA 0.681 5.209 4.527 0.003 0.000 0.349 98 F C 0.325 176.292 175.800 0.278 0.000 1.117 98 F CA -1.128 56.956 58.000 0.140 0.000 1.104 98 F CB 1.026 40.120 39.000 0.157 0.000 1.122 98 F HN 0.513 nan 8.300 nan 0.000 0.483 99 A N 4.364 127.476 122.820 0.487 0.000 2.292 99 A HA 0.758 5.080 4.320 0.003 0.000 0.319 99 A C -1.326 176.315 177.584 0.096 0.000 1.206 99 A CA -0.396 51.853 52.037 0.352 0.000 0.835 99 A CB 0.131 19.257 19.000 0.211 0.000 1.164 99 A HN 0.523 nan 8.150 nan 0.000 0.505 100 F N 2.171 122.217 119.950 0.160 0.000 2.426 100 F HA 0.575 5.104 4.527 0.004 0.000 0.348 100 F C 0.099 175.848 175.800 -0.085 0.000 1.124 100 F CA -0.457 57.581 58.000 0.064 0.000 1.008 100 F CB 1.484 40.407 39.000 -0.128 0.000 1.139 100 F HN 0.321 nan 8.300 nan 0.000 0.452 101 I N 2.974 123.764 120.570 0.366 0.000 2.465 101 I HA 0.645 4.817 4.170 0.003 0.000 0.291 101 I C -0.439 175.853 176.117 0.293 0.000 1.014 101 I CA -1.031 60.428 61.300 0.264 0.000 1.093 101 I CB 1.926 39.974 38.000 0.080 0.000 1.267 101 I HN 0.643 nan 8.210 nan 0.000 0.431 102 A N 6.109 129.046 122.820 0.195 0.000 2.305 102 A HA 0.771 5.093 4.320 0.003 0.000 0.322 102 A C -1.520 175.943 177.584 -0.202 0.000 1.187 102 A CA -0.232 51.844 52.037 0.065 0.000 0.825 102 A CB 0.474 19.521 19.000 0.078 0.000 1.164 102 A HN 0.604 nan 8.150 nan 0.000 0.498 103 Y N 1.895 122.282 120.300 0.145 0.000 2.391 103 Y HA 0.438 4.990 4.550 0.004 0.000 0.341 103 Y C -2.357 173.663 175.900 0.199 0.000 0.965 103 Y CA -2.355 55.859 58.100 0.191 0.000 1.067 103 Y CB 1.908 40.599 38.460 0.385 0.000 1.199 103 Y HN 0.489 nan 8.280 nan 0.000 0.450 104 P HA -0.036 nan 4.420 nan 0.000 0.269 104 P C 0.730 178.184 177.300 0.257 0.000 1.209 104 P CA -0.145 63.062 63.100 0.178 0.000 0.776 104 P CB 0.913 32.664 31.700 0.086 0.000 0.876 105 L N 2.937 124.297 121.223 0.228 0.000 2.129 105 L HA -0.201 4.141 4.340 0.003 0.000 0.212 105 L C 1.245 178.250 176.870 0.226 0.000 1.087 105 L CA 2.067 57.071 54.840 0.274 0.000 0.757 105 L CB -1.007 41.152 42.059 0.167 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.434 106 D N -0.734 119.746 120.400 0.133 0.000 2.310 106 D HA -0.118 4.524 4.640 0.003 0.000 0.212 106 D C 2.153 178.445 176.300 -0.014 0.000 0.965 106 D CA 0.914 54.978 54.000 0.106 0.000 0.879 106 D CB -0.074 40.849 40.800 0.206 0.000 0.921 106 D HN 0.405 nan 8.370 nan 0.000 0.510 107 L N -0.737 120.354 121.223 -0.220 0.000 2.478 107 L HA 0.030 4.372 4.340 0.003 0.000 0.223 107 L C 0.075 176.493 176.870 -0.753 0.000 1.140 107 L CA 0.366 54.866 54.840 -0.568 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 -0.309 119.670 119.950 0.048 0.000 2.469 108 F HA 0.320 4.849 4.527 0.003 0.000 0.332 108 F C 0.616 176.424 175.800 0.013 0.000 1.103 108 F CA -1.404 56.615 58.000 0.031 0.000 0.979 108 F CB 0.992 40.028 39.000 0.058 0.000 1.137 108 F HN -0.181 nan 8.300 nan 0.000 0.463 109 E N 1.741 122.027 120.200 0.143 0.000 2.376 109 E HA 0.078 4.430 4.350 0.003 0.000 0.266 109 E C -0.717 175.895 176.600 0.021 0.000 1.009 109 E CA -0.446 55.987 56.400 0.055 0.000 0.902 109 E CB 0.562 30.276 29.700 0.023 0.000 0.972 109 E HN 0.519 nan 8.360 nan 0.000 0.439 110 E N 2.336 122.511 120.200 -0.043 0.000 2.417 110 E HA 0.177 4.529 4.350 0.003 0.000 0.261 110 E C 0.712 177.097 176.600 -0.359 0.000 1.000 110 E CA 1.300 57.608 56.400 -0.153 0.000 0.919 110 E CB 0.651 30.285 29.700 -0.111 0.000 0.955 110 E HN 0.784 nan 8.360 nan 0.000 0.455 111 G N 2.696 110.984 108.800 -0.854 0.000 2.160 111 G HA2 -0.306 3.656 3.960 0.003 0.000 0.251 111 G HA3 -0.306 3.656 3.960 0.003 0.000 0.251 111 G C 0.200 174.646 174.900 -0.757 0.000 1.008 111 G CA 0.408 44.669 45.100 -1.398 0.000 0.724 111 G HN 0.514 nan 8.290 nan 0.000 0.514 112 S N -0.808 114.682 115.700 -0.349 0.000 2.669 112 S HA 0.554 5.026 4.470 0.003 0.000 0.315 112 S C 1.329 176.044 174.600 0.191 0.000 1.106 112 S CA 0.061 58.269 58.200 0.013 0.000 1.107 112 S CB 1.529 64.736 63.200 0.012 0.000 0.990 112 S HN 0.534 nan 8.310 nan 0.000 0.471 113 V N 4.833 124.867 119.914 0.200 0.000 2.453 113 V HA -0.086 4.036 4.120 0.003 0.000 0.247 113 V C 2.516 178.531 176.094 -0.131 0.000 1.048 113 V CA 2.234 64.496 62.300 -0.063 0.000 1.049 113 V CB -0.893 30.668 31.823 -0.437 0.000 0.672 113 V HN 0.871 nan 8.190 nan 0.000 0.457 114 T N 0.270 114.806 114.554 -0.030 0.000 2.653 114 T HA -0.291 4.061 4.350 0.003 0.000 0.268 114 T C 1.876 176.601 174.700 0.041 0.000 1.035 114 T CA 2.151 64.271 62.100 0.033 0.000 1.154 114 T CB -0.481 68.442 68.868 0.092 0.000 0.862 114 T HN 0.581 nan 8.240 nan 0.000 0.441 115 N N 0.471 119.212 118.700 0.068 0.000 2.216 115 N HA -0.024 4.718 4.740 0.003 0.000 0.183 115 N C 2.006 177.610 175.510 0.156 0.000 1.017 115 N CA 0.845 53.955 53.050 0.100 0.000 0.861 115 N CB -0.115 38.439 38.487 0.113 0.000 0.986 115 N HN 0.374 nan 8.380 nan 0.000 0.428 116 I N 1.281 121.943 120.570 0.154 0.000 2.226 116 I HA -0.273 3.899 4.170 0.003 0.000 0.245 116 I C 2.281 178.417 176.117 0.031 0.000 1.100 116 I CA 0.890 62.254 61.300 0.107 0.000 1.374 116 I CB -0.177 37.812 38.000 -0.018 0.000 1.057 116 I HN 0.183 nan 8.210 nan 0.000 0.413 117 L N -0.121 121.094 121.223 -0.013 0.000 2.056 117 L HA -0.182 4.160 4.340 0.003 0.000 0.207 117 L C 2.614 179.494 176.870 0.017 0.000 1.078 117 L CA 1.480 56.305 54.840 -0.025 0.000 0.749 117 L CB -0.832 41.195 42.059 -0.054 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 4.196 4.350 0.003 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 0.043 0.000 1.139 118 T CB -0.027 68.868 68.868 0.044 0.000 0.867 118 T HN 0.258 nan 8.240 nan 0.000 0.454 119 S N 0.858 116.598 115.700 0.067 0.000 2.336 119 S HA 0.044 4.516 4.470 0.003 0.000 0.216 119 S C 2.052 176.678 174.600 0.044 0.000 1.032 119 S CA 0.613 58.846 58.200 0.055 0.000 0.973 119 S CB -0.205 63.050 63.200 0.091 0.000 0.888 119 S HN 0.303 nan 8.310 nan 0.000 0.455 120 I N 1.657 122.241 120.570 0.023 0.000 2.315 120 I HA -0.025 4.147 4.170 0.003 0.000 0.248 120 I C 1.899 178.172 176.117 0.261 0.000 1.117 120 I CA 1.233 62.567 61.300 0.057 0.000 1.404 120 I CB -1.207 36.757 38.000 -0.060 0.000 1.071 120 I HN 0.298 nan 8.210 nan 0.000 0.419 121 V N -2.651 117.371 119.914 0.179 0.000 3.159 121 V HA 0.537 4.659 4.120 0.003 0.000 0.333 121 V C 1.693 177.854 176.094 0.110 0.000 1.424 121 V CA 0.360 62.791 62.300 0.218 0.000 1.125 121 V CB -0.311 31.484 31.823 -0.047 0.000 1.075 121 V HN 0.186 nan 8.190 nan 0.000 0.482 122 G N 1.825 110.690 108.800 0.110 0.000 2.433 122 G HA2 -0.153 3.809 3.960 0.003 0.000 0.216 122 G HA3 -0.153 3.809 3.960 0.003 0.000 0.216 122 G C 1.198 176.165 174.900 0.112 0.000 1.186 122 G CA 1.391 46.538 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 4.735 4.740 0.003 0.000 0.220 123 N C 2.187 177.834 175.510 0.228 0.000 1.176 123 N CA 0.874 54.028 53.050 0.174 0.000 0.861 123 N CB 0.394 38.973 38.487 0.154 0.000 1.230 123 N HN 0.277 nan 8.380 nan 0.000 0.479 124 V N -1.145 118.857 119.914 0.147 0.000 2.867 124 V HA -0.013 4.109 4.120 0.003 0.000 0.260 124 V C 1.632 177.740 176.094 0.022 0.000 1.099 124 V CA 1.206 63.467 62.300 -0.066 0.000 1.122 124 V CB -1.169 30.463 31.823 -0.319 0.000 0.708 124 V HN -0.077 nan 8.190 nan 0.000 0.490 125 F N 2.367 122.352 119.950 0.058 0.000 2.558 125 F HA 0.333 4.862 4.527 0.004 0.000 0.298 125 F C 2.286 178.213 175.800 0.212 0.000 1.119 125 F CA 1.096 59.169 58.000 0.122 0.000 1.451 125 F CB -0.449 38.608 39.000 0.094 0.000 1.091 125 F HN 0.348 nan 8.300 nan 0.000 0.563 126 G N -1.822 107.185 108.800 0.345 0.000 3.277 126 G HA2 0.024 3.986 3.960 0.003 0.000 0.243 126 G HA3 0.024 3.986 3.960 0.003 0.000 0.243 126 G C 0.028 175.051 174.900 0.205 0.000 1.107 126 G CA -0.235 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 1.885 121.848 119.950 0.021 0.000 2.593 127 F HA 0.120 4.649 4.527 0.003 0.000 0.393 127 F C 1.828 177.625 175.800 -0.005 0.000 1.037 127 F CA 0.332 58.322 58.000 -0.016 0.000 1.195 127 F CB 0.866 39.823 39.000 -0.071 0.000 1.034 127 F HN -0.006 nan 8.300 nan 0.000 0.552 128 K N 3.238 123.551 120.400 -0.145 0.000 2.113 128 K HA -0.208 4.114 4.320 0.003 0.000 0.208 128 K C 1.894 178.500 176.600 0.010 0.000 1.047 128 K CA 1.421 57.662 56.287 -0.077 0.000 0.928 128 K CB -0.161 32.248 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 4.335 4.320 0.003 0.000 0.209 129 A C 0.489 178.146 177.584 0.122 0.000 1.171 129 A CA 0.539 52.645 52.037 0.116 0.000 0.768 129 A CB 0.039 19.153 19.000 0.190 0.000 0.790 129 A HN 0.064 nan 8.150 nan 0.000 0.478 130 I N -0.500 120.149 120.570 0.131 0.000 2.466 130 I HA 0.303 4.475 4.170 0.003 0.000 0.289 130 I C 0.831 177.016 176.117 0.113 0.000 1.026 130 I CA -0.406 60.965 61.300 0.118 0.000 1.078 130 I CB 1.650 39.696 38.000 0.077 0.000 1.249 130 I HN 0.254 nan 8.210 nan 0.000 0.429 131 R N 2.946 123.514 120.500 0.112 0.000 2.075 131 R HA 0.042 4.384 4.340 0.003 0.000 0.226 131 R C 0.285 176.651 176.300 0.111 0.000 1.114 131 R CA 0.765 56.918 56.100 0.088 0.000 0.972 131 R CB 0.152 30.495 30.300 0.072 0.000 0.869 131 R HN 0.745 nan 8.270 nan 0.000 0.437 132 S N -0.482 115.318 115.700 0.166 0.000 2.537 132 S HA 0.553 5.025 4.470 0.003 0.000 0.271 132 S C -1.464 173.280 174.600 0.241 0.000 1.148 132 S CA -1.101 57.269 58.200 0.284 0.000 0.868 132 S CB 2.085 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 1.315 122.675 121.223 0.229 0.000 2.482 133 L HA 0.865 5.207 4.340 0.003 0.000 0.263 133 L C -1.104 175.679 176.870 -0.144 0.000 0.957 133 L CA -0.356 54.411 54.840 -0.123 0.000 0.836 133 L CB 2.226 43.924 42.059 -0.600 0.000 1.324 133 L HN 1.084 nan 8.230 nan 0.000 0.406 134 R N 3.961 124.492 120.500 0.051 0.000 2.515 134 R HA 0.648 4.990 4.340 0.003 0.000 0.291 134 R C -2.025 174.385 176.300 0.183 0.000 1.046 134 R CA -0.671 55.548 56.100 0.199 0.000 0.914 134 R CB 1.451 31.858 30.300 0.178 0.000 1.191 134 R HN 0.658 nan 8.270 nan 0.000 0.435 135 L N 4.108 125.458 121.223 0.211 0.000 2.361 135 L HA 0.305 4.647 4.340 0.003 0.000 0.278 135 L C 0.368 177.158 176.870 -0.133 0.000 1.113 135 L CA 0.647 55.395 54.840 -0.152 0.000 0.849 135 L CB 1.086 43.058 42.059 -0.145 0.000 1.155 135 L HN 0.823 nan 8.230 nan 0.000 0.452 136 E N 2.270 122.280 120.200 -0.316 0.000 2.201 136 E HA 0.129 4.481 4.350 0.003 0.000 0.193 136 E C -0.291 176.107 176.600 -0.337 0.000 0.957 136 E CA 0.439 56.616 56.400 -0.371 0.000 0.858 136 E CB 0.421 29.578 29.700 -0.905 0.000 0.816 136 E HN 0.681 nan 8.360 nan 0.000 0.475 137 D N -0.992 119.192 120.400 -0.359 0.000 2.663 137 D HA 0.397 5.039 4.640 0.003 0.000 0.233 137 D C -1.430 174.856 176.300 -0.023 0.000 1.240 137 D CA -0.480 53.458 54.000 -0.103 0.000 0.774 137 D CB 1.667 42.456 40.800 -0.020 0.000 1.443 137 D HN -0.164 nan 8.370 nan 0.000 0.441 138 I N 1.664 122.187 120.570 -0.078 0.000 2.499 138 I HA 0.314 4.486 4.170 0.003 0.000 0.288 138 I C -0.146 175.680 176.117 -0.485 0.000 1.048 138 I CA -0.866 60.188 61.300 -0.411 0.000 1.062 138 I CB 2.065 39.576 38.000 -0.815 0.000 1.238 138 I HN 0.058 nan 8.210 nan 0.000 0.426 139 R N 6.346 126.442 120.500 -0.673 0.000 2.248 139 R HA 0.289 4.631 4.340 0.003 0.000 0.337 139 R C -1.372 174.609 176.300 -0.532 0.000 1.106 139 R CA -0.429 55.347 56.100 -0.541 0.000 0.959 139 R CB -0.047 29.843 30.300 -0.684 0.000 1.075 139 R HN 0.308 nan 8.270 nan 0.000 0.480 140 F N 6.645 126.396 119.950 -0.333 0.000 2.471 140 F HA 0.229 4.758 4.527 0.004 0.000 0.365 140 F C -1.239 174.389 175.800 -0.286 0.000 1.095 140 F CA -1.815 55.984 58.000 -0.336 0.000 1.174 140 F CB 0.553 39.301 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 0.885 178.175 177.300 -0.017 0.000 1.223 141 P CA -0.082 62.993 63.100 -0.041 0.000 0.784 141 P CB 1.470 33.165 31.700 -0.009 0.000 0.923 142 V N 2.511 122.410 119.914 -0.025 0.000 2.392 142 V HA -0.277 3.845 4.120 0.003 0.000 0.249 142 V C 2.628 178.741 176.094 0.032 0.000 1.059 142 V CA 2.759 65.054 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 -0.610 122.233 122.820 0.039 0.000 1.972 143 A HA -0.181 4.141 4.320 0.003 0.000 0.219 143 A C 2.122 179.756 177.584 0.084 0.000 1.169 143 A CA 1.985 54.055 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 -0.635 120.652 121.223 0.108 0.000 2.127 144 L HA 0.031 4.373 4.340 0.003 0.000 0.203 144 L C 2.331 179.363 176.870 0.270 0.000 1.080 144 L CA 1.364 56.312 54.840 0.180 0.000 0.768 144 L CB -0.384 41.794 42.059 0.199 0.000 0.924 144 L HN 0.118 nan 8.230 nan 0.000 0.444 145 V N 0.040 120.045 119.914 0.152 0.000 2.453 145 V HA -0.301 3.821 4.120 0.003 0.000 0.252 145 V C 2.415 178.648 176.094 0.232 0.000 1.068 145 V CA 1.638 64.011 62.300 0.121 0.000 1.070 145 V CB -0.794 31.015 31.823 -0.023 0.000 0.664 145 V HN 0.412 nan 8.190 nan 0.000 0.461 146 K N 0.242 120.738 120.400 0.160 0.000 2.486 146 K HA -0.031 4.291 4.320 0.003 0.000 0.194 146 K C 1.937 178.596 176.600 0.097 0.000 1.033 146 K CA 1.310 57.669 56.287 0.120 0.000 1.004 146 K CB -0.161 32.384 32.500 0.076 0.000 0.798 146 K HN 0.734 nan 8.250 nan 0.000 0.495 147 T N -1.948 112.665 114.554 0.098 0.000 3.107 147 T HA 0.128 4.480 4.350 0.003 0.000 0.249 147 T C 0.432 175.007 174.700 -0.208 0.000 1.096 147 T CA -0.209 61.846 62.100 -0.076 0.000 1.012 147 T CB -0.185 68.576 68.868 -0.178 0.000 0.977 147 T HN -0.177 nan 8.240 nan 0.000 0.527 148 F N 1.229 121.170 119.950 -0.014 0.000 2.470 148 F HA 0.503 5.032 4.527 0.003 0.000 0.329 148 F C 1.623 177.414 175.800 -0.015 0.000 1.072 148 F CA -1.268 56.718 58.000 -0.023 0.000 0.989 148 F CB 1.829 40.801 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 4.572 4.340 0.003 0.000 0.198 149 Q C 0.998 177.036 176.000 0.063 0.000 0.971 149 Q CA 1.247 57.096 55.803 0.076 0.000 0.833 149 Q CB -0.091 28.667 28.738 0.033 0.000 0.896 149 Q HN 1.001 nan 8.270 nan 0.000 0.434 150 G N 0.267 109.111 108.800 0.073 0.000 2.615 150 G HA2 -0.221 3.741 3.960 0.003 0.000 0.218 150 G HA3 -0.221 3.741 3.960 0.003 0.000 0.218 150 G C -2.556 172.312 174.900 -0.053 0.000 1.339 150 G CA -0.475 44.622 45.100 -0.005 0.000 0.884 150 G HN 0.311 nan 8.290 nan 0.000 0.559 151 P HA 0.178 nan 4.420 nan 0.000 0.261 151 P C -1.692 175.523 177.300 -0.142 0.000 1.173 151 P CA -0.272 62.764 63.100 -0.107 0.000 0.760 151 P CB 0.331 31.968 31.700 -0.105 0.000 0.783 152 P HA -0.201 nan 4.420 nan 0.000 0.217 152 P C 0.749 177.576 177.300 -0.788 0.000 1.151 152 P CA 1.932 64.775 63.100 -0.428 0.000 0.849 152 P CB 0.015 31.503 31.700 -0.352 0.000 0.787 153 H N -3.972 115.075 119.070 -0.039 0.000 1.855 153 H HA 0.332 4.890 4.556 0.003 0.000 0.178 153 H C 1.225 176.541 175.328 -0.020 0.000 0.923 153 H CA 0.949 56.981 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 1.256 110.107 108.800 0.085 0.000 2.756 154 G HA2 -0.215 3.747 3.960 0.003 0.000 0.678 154 G HA3 -0.215 3.747 3.960 0.003 0.000 0.678 154 G C 0.840 175.782 174.900 0.070 0.000 1.349 154 G CA -0.021 45.101 45.100 0.036 0.000 0.847 154 G HN 0.213 nan 8.290 nan 0.000 0.548 155 I N 0.191 120.789 120.570 0.047 0.000 2.127 155 I HA -0.258 3.914 4.170 0.003 0.000 0.241 155 I C 2.932 179.098 176.117 0.082 0.000 1.075 155 I CA 2.427 63.765 61.300 0.065 0.000 1.334 155 I CB -0.277 37.750 38.000 0.044 0.000 1.040 155 I HN 0.758 nan 8.210 nan 0.000 0.405 156 Q N 1.062 120.910 119.800 0.079 0.000 2.050 156 Q HA -0.182 4.160 4.340 0.003 0.000 0.202 156 Q C 2.358 178.423 176.000 0.109 0.000 0.980 156 Q CA 2.137 57.999 55.803 0.099 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 1.400 121.372 119.914 0.098 0.000 2.427 157 V HA -0.240 3.882 4.120 0.003 0.000 0.248 157 V C 2.328 178.469 176.094 0.078 0.000 1.051 157 V CA 2.170 64.531 62.300 0.102 0.000 1.048 157 V CB -0.724 31.179 31.823 0.133 0.000 0.666 157 V HN 0.500 nan 8.190 nan 0.000 0.456 158 E N 0.403 120.652 120.200 0.082 0.000 2.077 158 E HA -0.244 4.108 4.350 0.003 0.000 0.193 158 E C 2.451 179.067 176.600 0.027 0.000 0.989 158 E CA 1.383 57.813 56.400 0.050 0.000 0.800 158 E CB -0.070 29.690 29.700 0.100 0.000 0.746 158 E HN 0.528 nan 8.360 nan 0.000 0.452 159 R N 0.370 120.886 120.500 0.026 0.000 2.096 159 R HA -0.113 4.229 4.340 0.003 0.000 0.235 159 R C 1.943 178.117 176.300 -0.210 0.000 1.127 159 R CA 1.403 57.444 56.100 -0.100 0.000 0.968 159 R CB -0.204 30.092 30.300 -0.006 0.000 0.861 159 R HN 0.276 nan 8.270 nan 0.000 0.440 160 D N 0.938 121.356 120.400 0.031 0.000 2.144 160 D HA -0.117 4.525 4.640 0.003 0.000 0.199 160 D C 1.981 178.294 176.300 0.022 0.000 0.984 160 D CA 0.971 55.036 54.000 0.108 0.000 0.834 160 D CB -0.093 40.798 40.800 0.151 0.000 0.955 160 D HN 0.184 nan 8.370 nan 0.000 0.465 161 L N -0.047 121.172 121.223 -0.007 0.000 2.141 161 L HA -0.050 4.292 4.340 0.003 0.000 0.209 161 L C 2.095 178.945 176.870 -0.034 0.000 1.094 161 L CA 0.639 55.465 54.840 -0.023 0.000 0.763 161 L CB -0.013 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 -1.423 119.762 121.223 -0.064 0.000 2.616 162 L HA 0.151 4.493 4.340 0.003 0.000 0.229 162 L C 0.267 177.056 176.870 -0.135 0.000 1.110 162 L CA -0.158 54.644 54.840 -0.064 0.000 0.884 162 L CB 0.065 42.114 42.059 -0.017 0.000 1.115 162 L HN 0.266 nan 8.230 nan 0.000 0.481 163 N N 1.267 119.836 118.700 -0.218 0.000 2.740 163 N HA -0.166 4.576 4.740 0.003 0.000 0.248 163 N C -0.296 174.962 175.510 -0.419 0.000 1.062 163 N CA 0.892 53.774 53.050 -0.281 0.000 0.704 163 N CB -0.818 37.629 38.487 -0.067 0.000 0.968 163 N HN 0.171 nan 8.380 nan 0.000 0.547 164 K N 0.987 121.014 120.400 -0.623 0.000 2.389 164 K HA 0.435 4.757 4.320 0.003 0.000 0.261 164 K C -1.014 175.288 176.600 -0.495 0.000 1.014 164 K CA -0.183 55.861 56.287 -0.405 0.000 0.920 164 K CB 0.547 32.915 32.500 -0.219 0.000 1.149 164 K HN 0.091 nan 8.250 nan 0.000 0.444 165 Y N -0.110 120.200 120.300 0.017 0.000 2.512 165 Y HA 0.502 5.054 4.550 0.003 0.000 0.348 165 Y C 1.229 177.140 175.900 0.020 0.000 0.990 165 Y CA -1.010 57.103 58.100 0.022 0.000 1.033 165 Y CB 2.580 41.052 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 -0.188 3.774 3.960 0.003 0.000 0.244 166 G HA3 -0.188 3.774 3.960 0.003 0.000 0.244 166 G C -0.228 174.724 174.900 0.086 0.000 0.982 166 G CA 0.101 45.273 45.100 0.120 0.000 0.641 166 G HN 0.864 nan 8.290 nan 0.000 0.527 167 R N -1.595 118.953 120.500 0.079 0.000 2.690 167 R HA 0.616 4.958 4.340 0.003 0.000 0.269 167 R C -3.433 172.901 176.300 0.057 0.000 1.037 167 R CA -1.932 54.206 56.100 0.063 0.000 0.877 167 R CB 0.409 30.739 30.300 0.050 0.000 1.255 167 R HN 0.013 nan 8.270 nan 0.000 0.467 168 P HA -0.019 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 0.277 63.407 63.100 0.050 0.000 0.770 168 P CB 0.474 32.214 31.700 0.065 0.000 0.836 169 M N 1.925 121.548 119.600 0.038 0.000 2.291 169 M HA 0.334 4.816 4.480 0.003 0.000 0.324 169 M C -0.328 176.017 176.300 0.075 0.000 1.148 169 M CA -0.504 54.820 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 0.110 nan 8.290 nan 0.000 0.467 170 L N 1.138 122.391 121.223 0.050 0.000 2.356 170 L HA 0.760 5.102 4.340 0.003 0.000 0.277 170 L C 0.006 176.952 176.870 0.127 0.000 0.996 170 L CA 0.112 55.016 54.840 0.107 0.000 0.822 170 L CB 1.584 43.681 42.059 0.063 0.000 1.256 170 L HN 0.781 nan 8.230 nan 0.000 0.413 171 G N 1.441 110.339 108.800 0.163 0.000 3.042 171 G HA2 0.669 4.631 3.960 0.003 0.000 0.278 171 G HA3 0.669 4.631 3.960 0.003 0.000 0.278 171 G C -1.681 173.256 174.900 0.063 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 0.109 119.391 119.300 -0.030 0.000 2.832 172 C HA 0.673 5.135 4.460 0.003 0.000 0.383 172 C C -0.226 174.726 174.990 -0.064 0.000 1.046 172 C CA -0.478 58.538 59.018 -0.005 0.000 1.242 172 C CB 0.393 28.144 27.740 0.017 0.000 1.693 172 C HN 0.804 nan 8.230 nan 0.000 0.497 173 T N 7.225 121.768 114.554 -0.020 0.000 2.780 173 T HA 0.389 4.741 4.350 0.003 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 4.105 124.663 120.570 -0.020 0.000 2.648 174 I HA 0.216 4.388 4.170 0.003 0.000 0.284 174 I C 0.688 176.805 176.117 -0.000 0.000 1.153 174 I CA 0.022 61.265 61.300 -0.095 0.000 1.426 174 I CB -0.059 37.688 38.000 -0.421 0.000 1.381 174 I HN 0.449 nan 8.210 nan 0.000 0.571 175 K N 6.694 127.095 120.400 0.000 0.000 2.395 175 K HA 0.570 4.892 4.320 0.003 0.000 0.247 175 K C -2.399 174.224 176.600 0.038 0.000 0.973 175 K CA -1.645 54.669 56.287 0.045 0.000 0.828 175 K CB 1.444 33.976 32.500 0.053 0.000 1.272 175 K HN 0.303 nan 8.250 nan 0.000 0.439 176 P HA 0.092 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 -0.074 63.053 63.100 0.045 0.000 0.783 176 P CB 0.774 32.479 31.700 0.009 0.000 0.898 177 K N 0.259 120.699 120.400 0.067 0.000 2.059 177 K HA -0.098 4.224 4.320 0.003 0.000 0.212 177 K C 0.755 177.423 176.600 0.112 0.000 1.050 177 K CA 1.289 57.632 56.287 0.093 0.000 0.927 177 K CB -0.289 32.246 32.500 0.058 0.000 0.714 177 K HN 0.412 nan 8.250 nan 0.000 0.447 178 L N -2.341 118.885 121.223 0.006 0.000 2.376 178 L HA 0.415 4.757 4.340 0.003 0.000 0.258 178 L C 0.649 177.259 176.870 -0.433 0.000 1.013 178 L CA -0.359 54.387 54.840 -0.155 0.000 0.822 178 L CB 2.391 44.363 42.059 -0.145 0.000 1.388 178 L HN 0.384 nan 8.230 nan 0.000 0.413 179 G N 1.089 109.261 108.800 -1.047 0.000 2.481 179 G HA2 -0.160 3.802 3.960 0.003 0.000 0.200 179 G HA3 -0.160 3.802 3.960 0.003 0.000 0.200 179 G C -0.116 174.613 174.900 -0.285 0.000 1.012 179 G CA -0.629 44.014 45.100 -0.761 0.000 0.676 179 G HN 0.306 nan 8.290 nan 0.000 0.488 180 L N 2.864 124.081 121.223 -0.010 0.000 2.397 180 L HA 0.506 4.848 4.340 0.003 0.000 0.271 180 L C 1.590 178.630 176.870 0.283 0.000 1.148 180 L CA 0.074 55.016 54.840 0.170 0.000 0.825 180 L CB 1.277 43.503 42.059 0.279 0.000 1.117 180 L HN 0.533 nan 8.230 nan 0.000 0.456 181 S N 1.859 117.664 115.700 0.176 0.000 2.617 181 S HA 0.256 4.728 4.470 0.003 0.000 0.259 181 S C 1.104 175.741 174.600 0.062 0.000 1.301 181 S CA -0.150 58.117 58.200 0.112 0.000 0.984 181 S CB 1.346 64.556 63.200 0.015 0.000 0.954 181 S HN 0.692 nan 8.310 nan 0.000 0.572 182 A N 0.979 123.765 122.820 -0.056 0.000 1.933 182 A HA -0.076 4.246 4.320 0.003 0.000 0.218 182 A C 2.116 179.519 177.584 -0.301 0.000 1.175 182 A CA 1.957 53.939 52.037 -0.091 0.000 0.628 182 A CB -1.002 17.978 19.000 -0.034 0.000 0.814 182 A HN 0.924 nan 8.150 nan 0.000 0.444 183 K N 0.246 120.250 120.400 -0.660 0.000 2.057 183 K HA -0.106 4.216 4.320 0.003 0.000 0.206 183 K C 1.613 178.098 176.600 -0.192 0.000 1.050 183 K CA 1.823 57.683 56.287 -0.711 0.000 0.935 183 K CB -0.269 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 -0.079 0.000 2.244 184 N HA -0.141 4.601 4.740 0.003 0.000 0.183 184 N C 1.473 177.023 175.510 0.066 0.000 1.016 184 N CA 0.921 53.979 53.050 0.013 0.000 0.866 184 N CB -0.337 38.170 38.487 0.033 0.000 0.980 184 N HN 0.243 nan 8.380 nan 0.000 0.430 185 Y N 1.306 121.601 120.300 -0.007 0.000 2.097 185 Y HA -0.125 4.427 4.550 0.003 0.000 0.282 185 Y C 2.427 178.352 175.900 0.041 0.000 1.152 185 Y CA 1.923 60.047 58.100 0.040 0.000 1.136 185 Y CB -0.664 37.834 38.460 0.063 0.000 0.975 185 Y HN 0.069 nan 8.280 nan 0.000 0.498 186 G N -0.686 108.217 108.800 0.172 0.000 2.422 186 G HA2 -0.250 3.712 3.960 0.003 0.000 0.218 186 G HA3 -0.250 3.712 3.960 0.003 0.000 0.218 186 G C 1.778 176.749 174.900 0.119 0.000 1.140 186 G CA 0.680 45.863 45.100 0.139 0.000 0.775 186 G HN 0.318 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 4.278 4.340 0.003 0.000 0.236 187 R C 2.825 179.178 176.300 0.090 0.000 1.137 187 R CA 1.627 57.798 56.100 0.118 0.000 0.943 187 R CB -0.413 29.931 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 0.009 0.000 1.969 188 A HA -0.071 4.251 4.320 0.003 0.000 0.218 188 A C 2.226 179.783 177.584 -0.045 0.000 1.169 188 A CA 1.337 53.349 52.037 -0.041 0.000 0.635 188 A CB -0.277 18.655 19.000 -0.113 0.000 0.810 188 A HN 0.252 nan 8.150 nan 0.000 0.445 189 V N -1.366 118.533 119.914 -0.025 0.000 2.379 189 V HA -0.225 3.897 4.120 0.003 0.000 0.245 189 V C 2.334 178.467 176.094 0.064 0.000 1.044 189 V CA 1.926 64.238 62.300 0.020 0.000 1.036 189 V CB -0.937 30.902 31.823 0.026 0.000 0.664 189 V HN 0.745 nan 8.190 nan 0.000 0.453 190 Y N 1.538 121.837 120.300 -0.001 0.000 2.181 190 Y HA -0.186 4.366 4.550 0.003 0.000 0.288 190 Y C 2.504 178.407 175.900 0.006 0.000 1.146 190 Y CA 1.769 59.874 58.100 0.008 0.000 1.164 190 Y CB -0.275 38.197 38.460 0.020 0.000 0.982 190 Y HN 0.260 nan 8.280 nan 0.000 0.515 191 E N -0.660 119.340 120.200 -0.334 0.000 2.150 191 E HA -0.173 4.179 4.350 0.003 0.000 0.193 191 E C 2.467 178.918 176.600 -0.249 0.000 0.985 191 E CA 1.214 57.379 56.400 -0.393 0.000 0.814 191 E CB -0.784 28.814 29.700 -0.169 0.000 0.752 191 E HN 0.534 nan 8.360 nan 0.000 0.466 192 C N 0.506 119.719 119.300 -0.145 0.000 2.476 192 C HA -0.020 4.442 4.460 0.003 0.000 0.278 192 C C 2.824 177.753 174.990 -0.101 0.000 1.274 192 C CA 0.269 59.230 59.018 -0.095 0.000 1.713 192 C CB -1.020 26.690 27.740 -0.050 0.000 2.039 192 C HN 0.354 nan 8.230 nan 0.000 0.484 193 L N 1.237 122.408 121.223 -0.088 0.000 2.093 193 L HA -0.124 4.218 4.340 0.003 0.000 0.208 193 L C 2.885 179.703 176.870 -0.087 0.000 1.085 193 L CA 1.572 56.375 54.840 -0.061 0.000 0.755 193 L CB -0.711 41.349 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 -0.064 4.278 4.340 0.003 0.000 0.223 194 R C 1.946 178.172 176.300 -0.124 0.000 1.092 194 R CA 1.302 57.305 56.100 -0.162 0.000 0.989 194 R CB -0.773 29.308 30.300 -0.365 0.000 0.876 194 R HN 0.236 nan 8.270 nan 0.000 0.457 195 G N -0.470 108.248 108.800 -0.136 0.000 2.712 195 G HA2 0.218 4.180 3.960 0.003 0.000 0.212 195 G HA3 0.218 4.180 3.960 0.003 0.000 0.212 195 G C 0.934 175.784 174.900 -0.082 0.000 1.142 195 G CA 0.322 45.358 45.100 -0.106 0.000 0.789 195 G HN 0.605 nan 8.290 nan 0.000 0.535 196 G N -0.897 107.857 108.800 -0.076 0.000 2.227 196 G HA2 -0.172 3.790 3.960 0.003 0.000 0.168 196 G HA3 -0.172 3.790 3.960 0.003 0.000 0.168 196 G C 0.252 175.106 174.900 -0.076 0.000 1.006 196 G CA -0.304 44.756 45.100 -0.066 0.000 0.684 196 G HN 0.331 nan 8.290 nan 0.000 0.489 197 L N 1.224 122.400 121.223 -0.078 0.000 2.417 197 L HA 0.345 4.687 4.340 0.003 0.000 0.268 197 L C 1.136 177.923 176.870 -0.139 0.000 1.158 197 L CA -0.647 54.145 54.840 -0.080 0.000 0.819 197 L CB 0.588 42.619 42.059 -0.045 0.000 1.112 197 L HN 0.006 nan 8.230 nan 0.000 0.458 198 D N 1.456 121.715 120.400 -0.234 0.000 2.162 198 D HA 0.013 4.655 4.640 0.003 0.000 0.203 198 D C -0.113 175.833 176.300 -0.590 0.000 0.967 198 D CA 1.567 55.259 54.000 -0.513 0.000 0.840 198 D CB 0.255 40.569 40.800 -0.812 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 -0.072 0.000 2.576 199 F HA 0.315 4.844 4.527 0.003 0.000 0.313 199 F C 0.647 176.281 175.800 -0.276 0.000 1.078 199 F CA -1.080 56.802 58.000 -0.196 0.000 0.921 199 F CB 1.721 40.543 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 0.860 5.212 4.350 0.003 0.000 0.286 200 T C -1.062 173.140 174.700 -0.832 0.000 1.040 200 T CA -1.028 60.910 62.100 -0.271 0.000 1.010 200 T CB 2.487 71.377 68.868 0.036 0.000 1.177 200 T HN 0.781 nan 8.240 nan 0.000 0.546 201 K N -0.317 119.654 120.400 -0.715 0.000 2.562 201 K HA 0.466 4.788 4.320 0.003 0.000 0.267 201 K C -1.912 174.582 176.600 -0.176 0.000 0.938 201 K CA -0.909 54.912 56.287 -0.776 0.000 0.840 201 K CB 1.351 33.520 32.500 -0.553 0.000 1.390 201 K HN 0.355 nan 8.250 nan 0.000 0.428 202 D N 1.900 122.333 120.400 0.056 0.000 2.443 202 D HA 0.026 4.668 4.640 0.003 0.000 0.239 202 D C -0.326 176.085 176.300 0.185 0.000 1.136 202 D CA 0.519 54.713 54.000 0.323 0.000 0.879 202 D CB 0.665 41.636 40.800 0.284 0.000 1.195 202 D HN 0.431 nan 8.370 nan 0.000 0.443 203 D N 0.805 121.328 120.400 0.206 0.000 2.368 203 D HA -0.060 4.582 4.640 0.003 0.000 0.240 203 D C 1.486 177.770 176.300 -0.026 0.000 1.169 203 D CA -0.209 53.841 54.000 0.085 0.000 0.906 203 D CB 0.738 41.599 40.800 0.101 0.000 1.187 203 D HN 0.379 nan 8.370 nan 0.000 0.435 204 E N 1.600 121.659 120.200 -0.234 0.000 2.265 204 E HA -0.220 4.132 4.350 0.003 0.000 0.196 204 E C 0.446 176.952 176.600 -0.157 0.000 0.996 204 E CA 0.902 57.069 56.400 -0.388 0.000 0.832 204 E CB -0.288 28.889 29.700 -0.873 0.000 0.756 204 E HN 0.439 nan 8.360 nan 0.000 0.491 205 N N 0.924 119.585 118.700 -0.065 0.000 2.230 205 N HA 0.057 4.799 4.740 0.003 0.000 0.202 205 N C 0.135 175.679 175.510 0.057 0.000 1.119 205 N CA -0.256 52.791 53.050 -0.005 0.000 0.851 205 N CB 0.149 38.642 38.487 0.010 0.000 0.990 205 N HN 0.038 nan 8.380 nan 0.000 0.497 206 I N 1.716 122.330 120.570 0.073 0.000 2.363 206 I HA 0.157 4.329 4.170 0.003 0.000 0.292 206 I C 0.267 176.426 176.117 0.070 0.000 1.075 206 I CA 0.155 61.513 61.300 0.097 0.000 1.333 206 I CB -0.207 37.855 38.000 0.104 0.000 1.415 206 I HN 0.214 nan 8.210 nan 0.000 0.502 207 N N 3.341 122.069 118.700 0.046 0.000 3.420 207 N HA 0.141 4.883 4.740 0.003 0.000 0.211 207 N C -0.271 175.269 175.510 0.050 0.000 1.201 207 N CA -0.250 52.823 53.050 0.038 0.000 1.134 207 N CB 0.676 39.160 38.487 -0.005 0.000 1.366 207 N HN 0.426 nan 8.380 nan 0.000 0.606 208 S N 0.309 116.011 115.700 0.002 0.000 2.689 208 S HA 0.432 4.904 4.470 0.003 0.000 0.274 208 S C -1.909 172.622 174.600 -0.114 0.000 1.176 208 S CA -0.414 57.789 58.200 0.005 0.000 1.014 208 S CB 1.235 64.539 63.200 0.174 0.000 1.071 208 S HN 0.242 nan 8.310 nan 0.000 0.478 209 Q N 3.388 123.006 119.800 -0.302 0.000 2.495 209 Q HA 0.504 4.846 4.340 0.003 0.000 0.287 209 Q C -2.072 173.649 176.000 -0.465 0.000 1.078 209 Q CA -1.854 53.705 55.803 -0.407 0.000 0.793 209 Q CB 1.738 30.098 28.738 -0.629 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 1.490 64.508 63.100 -0.136 0.000 0.865 210 P CB 0.028 31.730 31.700 0.003 0.000 0.789 211 F N -1.694 118.256 119.950 -0.002 0.000 2.661 211 F HA 0.169 4.698 4.527 0.003 0.000 0.298 211 F C 0.751 176.543 175.800 -0.013 0.000 1.137 211 F CA 0.157 58.155 58.000 -0.004 0.000 1.454 211 F CB -0.596 38.407 39.000 0.005 0.000 1.103 211 F HN -0.103 nan 8.300 nan 0.000 0.577 212 Q N 1.650 121.097 119.800 -0.589 0.000 2.643 212 Q HA 0.198 4.540 4.340 0.003 0.000 0.225 212 Q C -1.167 174.632 176.000 -0.334 0.000 0.786 212 Q CA -0.502 55.100 55.803 -0.334 0.000 0.953 212 Q CB 1.059 29.682 28.738 -0.191 0.000 1.517 212 Q HN 0.254 nan 8.270 nan 0.000 0.457 213 R N 2.722 123.094 120.500 -0.212 0.000 2.490 213 R HA 0.163 4.505 4.340 0.003 0.000 0.278 213 R C 1.361 177.551 176.300 -0.182 0.000 1.069 213 R CA -0.162 55.826 56.100 -0.185 0.000 1.080 213 R CB 0.512 30.682 30.300 -0.216 0.000 1.030 213 R HN 0.724 nan 8.270 nan 0.000 0.491 214 W N 3.511 124.705 121.300 -0.177 0.000 2.363 214 W HA -0.109 4.553 4.660 0.003 0.000 0.296 214 W C 1.084 177.457 176.519 -0.243 0.000 1.212 214 W CA 0.603 57.831 57.345 -0.195 0.000 1.260 214 W CB -0.503 28.772 29.460 -0.309 0.000 1.131 214 W HN 0.558 nan 8.180 nan 0.000 0.530 215 R N 0.886 120.533 120.500 -1.422 0.000 2.115 215 R HA -0.123 4.219 4.340 0.003 0.000 0.230 215 R C 1.778 177.882 176.300 -0.328 0.000 1.111 215 R CA 1.800 57.157 56.100 -1.239 0.000 0.976 215 R CB -0.274 29.072 30.300 -1.591 0.000 0.870 215 R HN 0.023 nan 8.270 nan 0.000 0.445 216 D N -0.168 120.098 120.400 -0.223 0.000 2.117 216 D HA -0.185 4.457 4.640 0.003 0.000 0.198 216 D C 1.849 178.335 176.300 0.311 0.000 0.982 216 D CA 0.886 54.940 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 0.011 120.651 120.500 0.233 0.000 2.081 217 R HA -0.134 4.208 4.340 0.003 0.000 0.235 217 R C 2.172 178.722 176.300 0.417 0.000 1.131 217 R CA 0.903 57.182 56.100 0.298 0.000 0.960 217 R CB -0.361 30.058 30.300 0.199 0.000 0.856 217 R HN 0.057 nan 8.270 nan 0.000 0.436 218 F N 1.023 121.083 119.950 0.184 0.000 2.126 218 F HA -0.190 4.339 4.527 0.003 0.000 0.299 218 F C 2.224 178.082 175.800 0.097 0.000 1.096 218 F CA 0.881 58.994 58.000 0.188 0.000 1.255 218 F CB -0.842 38.384 39.000 0.378 0.000 0.997 218 F HN 0.086 nan 8.300 nan 0.000 0.479 219 L N -1.248 120.174 121.223 0.331 0.000 2.027 219 L HA -0.149 4.193 4.340 0.003 0.000 0.206 219 L C 2.138 178.978 176.870 -0.050 0.000 1.074 219 L CA 1.751 56.646 54.840 0.091 0.000 0.745 219 L CB -0.847 41.201 42.059 -0.018 0.000 0.898 219 L HN -0.014 nan 8.230 nan 0.000 0.433 220 F N -1.815 118.181 119.950 0.077 0.000 2.259 220 F HA -0.097 4.432 4.527 0.003 0.000 0.298 220 F C 2.325 178.128 175.800 0.005 0.000 1.088 220 F CA 1.112 59.139 58.000 0.045 0.000 1.358 220 F CB -0.647 38.392 39.000 0.065 0.000 1.040 220 F HN -0.167 nan 8.300 nan 0.000 0.505 221 V N -0.184 119.821 119.914 0.152 0.000 2.427 221 V HA -0.282 3.840 4.120 0.003 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 -0.037 0.000 1.048 221 V CB -1.154 30.532 31.823 -0.227 0.000 0.666 221 V HN 0.342 nan 8.190 nan 0.000 0.456 222 A N -0.099 122.642 122.820 -0.132 0.000 1.940 222 A HA -0.321 4.001 4.320 0.003 0.000 0.219 222 A C 2.022 179.338 177.584 -0.447 0.000 1.176 222 A CA 2.326 54.187 52.037 -0.293 0.000 0.631 222 A CB -0.689 18.192 19.000 -0.198 0.000 0.814 222 A HN 0.607 nan 8.150 nan 0.000 0.446 223 D N -0.551 119.751 120.400 -0.164 0.000 2.117 223 D HA 0.005 4.647 4.640 0.003 0.000 0.198 223 D C 2.051 178.319 176.300 -0.054 0.000 0.982 223 D CA 1.432 55.402 54.000 -0.051 0.000 0.828 223 D CB -0.159 40.640 40.800 -0.002 0.000 0.967 223 D HN 0.353 nan 8.370 nan 0.000 0.464 224 A N -0.074 122.730 122.820 -0.026 0.000 1.969 224 A HA -0.090 4.232 4.320 0.003 0.000 0.218 224 A C 2.289 179.909 177.584 0.060 0.000 1.169 224 A CA 0.865 52.930 52.037 0.047 0.000 0.635 224 A CB -0.665 18.402 19.000 0.112 0.000 0.810 224 A HN 0.356 nan 8.150 nan 0.000 0.445 225 I N -1.256 119.280 120.570 -0.058 0.000 2.252 225 I HA -0.250 3.922 4.170 0.003 0.000 0.245 225 I C 2.362 178.481 176.117 0.004 0.000 1.102 225 I CA 1.502 62.773 61.300 -0.049 0.000 1.385 225 I CB -0.509 37.411 38.000 -0.134 0.000 1.064 225 I HN 0.468 nan 8.210 nan 0.000 0.414 226 H N 0.207 119.297 119.070 0.034 0.000 2.353 226 H HA -0.191 4.367 4.556 0.003 0.000 0.300 226 H C 2.293 177.633 175.328 0.020 0.000 1.090 226 H CA 1.382 57.440 56.048 0.017 0.000 1.327 226 H CB 0.054 29.814 29.762 -0.004 0.000 1.383 226 H HN 0.198 nan 8.280 nan 0.000 0.508 227 K N 0.883 121.355 120.400 0.119 0.000 2.001 227 K HA -0.143 4.179 4.320 0.003 0.000 0.208 227 K C 2.491 179.183 176.600 0.153 0.000 1.048 227 K CA 1.582 57.895 56.287 0.043 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 0.185 116.041 115.700 0.261 0.000 2.423 228 S HA -0.204 4.268 4.470 0.003 0.000 0.231 228 S C 2.067 176.749 174.600 0.137 0.000 1.014 228 S CA 1.155 59.523 58.200 0.281 0.000 0.965 228 S CB -0.190 63.158 63.200 0.247 0.000 0.785 228 S HN 0.470 nan 8.310 nan 0.000 0.495 229 Q N 1.129 120.997 119.800 0.113 0.000 2.137 229 Q HA 0.135 4.477 4.340 0.003 0.000 0.198 229 Q C 2.227 178.268 176.000 0.069 0.000 0.960 229 Q CA 1.033 56.882 55.803 0.077 0.000 0.847 229 Q CB -0.508 28.280 28.738 0.084 0.000 0.915 229 Q HN 0.703 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 -0.179 4.143 4.320 0.003 0.000 0.219 230 A C 1.695 179.313 177.584 0.056 0.000 1.163 230 A CA 1.438 53.509 52.037 0.057 0.000 0.646 230 A CB -0.315 18.715 19.000 0.051 0.000 0.806 230 A HN 0.490 nan 8.150 nan 0.000 0.448 231 E N -0.935 119.312 120.200 0.078 0.000 2.122 231 E HA -0.093 4.259 4.350 0.003 0.000 0.190 231 E C 2.125 178.757 176.600 0.052 0.000 0.977 231 E CA 1.483 57.929 56.400 0.077 0.000 0.820 231 E CB -0.066 29.710 29.700 0.127 0.000 0.770 231 E HN 0.817 nan 8.360 nan 0.000 0.462 232 T N -3.535 111.046 114.554 0.045 0.000 3.040 232 T HA 0.215 4.567 4.350 0.003 0.000 0.252 232 T C 1.615 176.324 174.700 0.015 0.000 1.064 232 T CA 0.515 62.628 62.100 0.022 0.000 1.110 232 T CB 0.638 69.512 68.868 0.009 0.000 0.921 232 T HN 0.243 nan 8.240 nan 0.000 0.480 233 G N 1.282 110.094 108.800 0.019 0.000 2.148 233 G HA2 -0.208 3.754 3.960 0.003 0.000 0.254 233 G HA3 -0.208 3.754 3.960 0.003 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 -0.208 119.990 120.200 -0.004 0.000 2.238 234 E HA 0.534 4.886 4.350 0.003 0.000 0.267 234 E C 0.393 176.977 176.600 -0.026 0.000 0.887 234 E CA -1.301 55.085 56.400 -0.023 0.000 0.769 234 E CB 1.528 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 3.014 123.562 120.570 -0.037 0.000 2.741 235 I HA -0.063 4.109 4.170 0.003 0.000 0.288 235 I C 0.322 176.402 176.117 -0.062 0.000 1.192 235 I CA 0.694 61.976 61.300 -0.030 0.000 1.426 235 I CB -0.578 37.402 38.000 -0.033 0.000 1.367 235 I HN 0.337 nan 8.210 nan 0.000 0.563 236 K N 4.683 125.074 120.400 -0.014 0.000 2.281 236 K HA 0.816 5.138 4.320 0.003 0.000 0.242 236 K C 0.004 176.651 176.600 0.078 0.000 0.971 236 K CA -0.685 55.592 56.287 -0.016 0.000 0.834 236 K CB 2.503 35.012 32.500 0.014 0.000 1.181 236 K HN 0.803 nan 8.250 nan 0.000 0.435 237 G N 0.297 109.198 108.800 0.169 0.000 2.704 237 G HA2 0.380 4.342 3.960 0.003 0.000 0.293 237 G HA3 0.380 4.342 3.960 0.003 0.000 0.293 237 G C -1.917 173.173 174.900 0.317 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 0.679 119.814 119.070 0.108 0.000 3.018 238 H HA 0.303 4.861 4.556 0.003 0.000 0.334 238 H C -1.069 174.272 175.328 0.022 0.000 0.983 238 H CA -0.596 55.436 56.048 -0.027 0.000 1.363 238 H CB 1.203 30.951 29.762 -0.022 0.000 1.668 238 H HN 0.385 nan 8.280 nan 0.000 0.513 239 Y N 5.715 125.823 120.300 -0.320 0.000 2.730 239 Y HA 0.093 4.645 4.550 0.003 0.000 0.357 239 Y C 0.729 176.583 175.900 -0.076 0.000 1.167 239 Y CA -0.561 57.411 58.100 -0.213 0.000 1.579 239 Y CB -0.769 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 3.671 124.978 121.223 0.140 0.000 2.361 240 L HA 0.114 4.456 4.340 0.003 0.000 0.278 240 L C 0.793 177.724 176.870 0.101 0.000 1.113 240 L CA 0.138 54.977 54.840 -0.001 0.000 0.849 240 L CB 0.265 41.955 42.059 -0.616 0.000 1.155 240 L HN 0.619 nan 8.230 nan 0.000 0.452 241 N N 2.240 121.066 118.700 0.210 0.000 2.420 241 N HA 0.117 4.859 4.740 0.003 0.000 0.262 241 N C 0.724 176.394 175.510 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 0.427 120.454 119.914 0.188 0.000 3.483 242 V HA 0.175 4.297 4.120 0.003 0.000 0.301 242 V C 0.611 176.714 176.094 0.016 0.000 1.389 242 V CA -0.264 62.080 62.300 0.072 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 3.135 117.770 114.554 0.136 0.000 2.908 243 T HA 0.549 4.901 4.350 0.003 0.000 0.301 243 T C 0.173 174.867 174.700 -0.010 0.000 1.019 243 T CA 1.125 63.307 62.100 0.137 0.000 1.152 243 T CB 0.673 69.565 68.868 0.041 0.000 0.966 243 T HN 1.083 nan 8.240 nan 0.000 0.540 244 A N 4.730 127.535 122.820 -0.025 0.000 2.602 244 A HA 0.751 5.073 4.320 0.003 0.000 0.290 244 A C -1.817 175.727 177.584 -0.066 0.000 1.114 244 A CA -1.279 50.700 52.037 -0.097 0.000 0.683 244 A CB 0.703 19.594 19.000 -0.181 0.000 1.281 244 A HN 0.533 nan 8.150 nan 0.000 0.416 245 P HA 0.016 nan 4.420 nan 0.000 0.219 245 P C 0.598 177.869 177.300 -0.048 0.000 1.150 245 P CA 1.985 65.053 63.100 -0.055 0.000 0.814 245 P CB -0.056 31.612 31.700 -0.053 0.000 0.787 246 T N -4.898 109.617 114.554 -0.064 0.000 2.864 246 T HA 0.321 4.673 4.350 0.003 0.000 0.299 246 T C 1.050 175.705 174.700 -0.074 0.000 1.166 246 T CA -0.674 61.392 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 0.800 120.064 119.300 -0.061 0.000 2.413 247 C HA -0.061 4.401 4.460 0.003 0.000 0.276 247 C C 2.643 177.565 174.990 -0.114 0.000 1.236 247 C CA 1.171 60.141 59.018 -0.080 0.000 1.735 247 C CB -1.417 26.292 27.740 -0.052 0.000 2.031 247 C HN 1.026 nan 8.230 nan 0.000 0.474 248 E N 0.919 121.064 120.200 -0.093 0.000 2.097 248 E HA -0.219 4.133 4.350 0.003 0.000 0.196 248 E C 2.022 178.536 176.600 -0.144 0.000 1.000 248 E CA 1.558 57.898 56.400 -0.099 0.000 0.804 248 E CB -0.331 29.328 29.700 -0.068 0.000 0.740 248 E HN 0.624 nan 8.360 nan 0.000 0.454 249 E N 0.053 120.157 120.200 -0.159 0.000 2.158 249 E HA -0.050 4.302 4.350 0.003 0.000 0.191 249 E C 1.852 178.251 176.600 -0.334 0.000 0.982 249 E CA 0.759 57.023 56.400 -0.227 0.000 0.823 249 E CB -0.109 29.475 29.700 -0.194 0.000 0.766 249 E HN 0.303 nan 8.360 nan 0.000 0.468 250 M N -0.661 118.776 119.600 -0.272 0.000 2.132 250 M HA -0.150 4.332 4.480 0.003 0.000 0.263 250 M C 1.475 177.546 176.300 -0.381 0.000 1.065 250 M CA 1.279 56.397 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 0.420 119.811 119.600 -0.349 0.000 2.132 251 M HA -0.167 4.315 4.480 0.003 0.000 0.263 251 M C 2.104 178.180 176.300 -0.373 0.000 1.065 251 M CA 1.573 56.616 55.300 -0.428 0.000 1.122 251 M CB -1.327 31.100 32.600 -0.287 0.000 1.365 251 M HN 0.332 nan 8.290 nan 0.000 0.411 252 K N 0.334 120.570 120.400 -0.273 0.000 2.020 252 K HA -0.214 4.108 4.320 0.003 0.000 0.212 252 K C 2.081 178.529 176.600 -0.252 0.000 1.050 252 K CA 1.760 57.931 56.287 -0.194 0.000 0.929 252 K CB -0.018 32.375 32.500 -0.179 0.000 0.714 252 K HN 0.269 nan 8.250 nan 0.000 0.443 253 R N -0.237 119.914 120.500 -0.581 0.000 2.075 253 R HA -0.082 4.260 4.340 0.003 0.000 0.232 253 R C 2.432 178.683 176.300 -0.082 0.000 1.126 253 R CA 1.214 56.891 56.100 -0.705 0.000 0.963 253 R CB -0.375 29.346 30.300 -0.965 0.000 0.858 253 R HN 0.259 nan 8.270 nan 0.000 0.435 254 A N 0.986 123.640 122.820 -0.277 0.000 1.933 254 A HA -0.219 4.103 4.320 0.003 0.000 0.218 254 A C 1.973 179.416 177.584 -0.236 0.000 1.175 254 A CA 1.584 53.376 52.037 -0.409 0.000 0.628 254 A CB -0.296 18.041 19.000 -1.105 0.000 0.814 254 A HN 0.247 nan 8.150 nan 0.000 0.444 255 E N -1.341 118.774 120.200 -0.141 0.000 2.072 255 E HA -0.103 4.249 4.350 0.003 0.000 0.191 255 E C 1.582 178.392 176.600 0.350 0.000 0.985 255 E CA 1.077 57.587 56.400 0.183 0.000 0.801 255 E CB -0.286 29.495 29.700 0.135 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 4.562 4.527 0.003 0.000 0.298 256 F C 1.918 177.954 175.800 0.394 0.000 1.088 256 F CA 1.122 59.315 58.000 0.322 0.000 1.358 256 F CB -0.612 38.635 39.000 0.412 0.000 1.040 256 F HN 0.062 nan 8.300 nan 0.000 0.505 257 A N 0.244 123.310 122.820 0.409 0.000 1.908 257 A HA -0.244 4.078 4.320 0.003 0.000 0.218 257 A C 2.410 180.076 177.584 0.138 0.000 1.181 257 A CA 1.866 54.028 52.037 0.209 0.000 0.627 257 A CB -0.818 18.316 19.000 0.224 0.000 0.818 257 A HN 0.378 nan 8.150 nan 0.000 0.445 258 K N -0.446 120.114 120.400 0.267 0.000 2.057 258 K HA -0.184 4.138 4.320 0.003 0.000 0.207 258 K C 2.064 178.743 176.600 0.132 0.000 1.049 258 K CA 1.621 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 0.492 120.766 120.200 0.124 0.000 2.118 259 E HA -0.168 4.184 4.350 0.003 0.000 0.195 259 E C 1.784 178.369 176.600 -0.024 0.000 0.992 259 E CA 0.912 57.357 56.400 0.076 0.000 0.804 259 E CB 0.041 29.835 29.700 0.156 0.000 0.741 259 E HN 0.304 nan 8.360 nan 0.000 0.458 260 L N -0.656 120.483 121.223 -0.140 0.000 2.599 260 L HA 0.138 4.480 4.340 0.003 0.000 0.230 260 L C 1.300 178.170 176.870 -0.000 0.000 1.141 260 L CA 0.377 55.136 54.840 -0.133 0.000 0.877 260 L CB 0.121 42.011 42.059 -0.282 0.000 1.009 260 L HN 0.347 nan 8.230 nan 0.000 0.447 261 G N 0.186 108.999 108.800 0.023 0.000 2.198 261 G HA2 -0.259 3.703 3.960 0.003 0.000 0.257 261 G HA3 -0.259 3.703 3.960 0.003 0.000 0.257 261 G C 0.250 175.184 174.900 0.056 0.000 1.042 261 G CA -0.219 44.913 45.100 0.054 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 4.678 4.480 0.003 0.000 0.354 262 M C -0.557 175.776 176.300 0.055 0.000 1.342 262 M CA -2.061 53.256 55.300 0.028 0.000 1.117 262 M CB 0.746 33.335 32.600 -0.017 0.000 1.670 262 M HN 0.039 nan 8.290 nan 0.000 0.466 263 P HA 0.150 nan 4.420 nan 0.000 0.231 263 P C 0.081 177.403 177.300 0.037 0.000 1.168 263 P CA 0.803 63.932 63.100 0.050 0.000 0.779 263 P CB 0.872 32.617 31.700 0.076 0.000 0.844 264 I N -0.177 120.431 120.570 0.063 0.000 2.722 264 I HA 0.364 4.536 4.170 0.003 0.000 0.292 264 I C -1.007 175.145 176.117 0.060 0.000 1.267 264 I CA -1.497 59.820 61.300 0.029 0.000 1.036 264 I CB 2.247 40.249 38.000 0.002 0.000 1.281 264 I HN -0.251 nan 8.210 nan 0.000 0.423 265 I N 3.698 124.295 120.570 0.044 0.000 3.294 265 I HA 0.671 4.843 4.170 0.003 0.000 0.311 265 I C -1.398 174.759 176.117 0.068 0.000 1.111 265 I CA -0.965 60.378 61.300 0.071 0.000 0.976 265 I CB 2.222 40.280 38.000 0.097 0.000 1.260 265 I HN 0.692 nan 8.210 nan 0.000 0.474 266 M N 1.886 121.562 119.600 0.125 0.000 2.446 266 M HA 0.475 4.957 4.480 0.003 0.000 0.294 266 M C -2.016 174.418 176.300 0.222 0.000 1.158 266 M CA -0.355 55.054 55.300 0.181 0.000 0.899 266 M CB 2.226 34.972 32.600 0.243 0.000 1.687 266 M HN 0.837 nan 8.290 nan 0.000 0.455 267 H N 2.362 121.471 119.070 0.066 0.000 2.954 267 H HA 0.292 4.850 4.556 0.003 0.000 0.361 267 H C -1.662 173.708 175.328 0.070 0.000 1.122 267 H CA -0.664 55.409 56.048 0.041 0.000 1.217 267 H CB 1.958 31.729 29.762 0.015 0.000 1.776 267 H HN 0.699 nan 8.280 nan 0.000 0.533 268 D N 5.681 125.837 120.400 -0.406 0.000 2.441 268 D HA 0.007 4.649 4.640 0.003 0.000 0.221 268 D C 1.108 177.118 176.300 -0.484 0.000 1.156 268 D CA -0.146 53.675 54.000 -0.299 0.000 0.896 268 D CB 0.371 41.027 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 -0.459 0.000 2.407 269 F HA 0.023 4.552 4.527 0.003 0.000 0.299 269 F C 1.303 176.798 175.800 -0.508 0.000 1.097 269 F CA 0.466 58.182 58.000 -0.474 0.000 1.422 269 F CB -0.270 38.489 39.000 -0.401 0.000 1.067 269 F HN 0.182 nan 8.300 nan 0.000 0.539 270 L N 0.530 121.122 121.223 -1.052 0.000 2.168 270 L HA -0.029 4.313 4.340 0.003 0.000 0.203 270 L C 2.670 179.279 176.870 -0.434 0.000 1.078 270 L CA 1.385 55.702 54.840 -0.872 0.000 0.780 270 L CB -0.819 40.726 42.059 -0.857 0.000 0.939 270 L HN 0.361 nan 8.230 nan 0.000 0.451 271 T N -3.103 111.246 114.554 -0.341 0.000 3.023 271 T HA 0.070 4.422 4.350 0.003 0.000 0.266 271 T C 1.728 176.322 174.700 -0.178 0.000 1.093 271 T CA 0.749 62.721 62.100 -0.213 0.000 1.129 271 T CB 0.092 68.859 68.868 -0.168 0.000 0.899 271 T HN 0.235 nan 8.240 nan 0.000 0.491 272 A N 1.488 124.174 122.820 -0.223 0.000 1.887 272 A HA 0.656 4.978 4.320 0.003 0.000 0.212 272 A C 1.457 178.999 177.584 -0.070 0.000 1.198 272 A CA 0.696 52.660 52.037 -0.122 0.000 0.628 272 A CB -0.658 18.261 19.000 -0.134 0.000 0.847 272 A HN 1.423 nan 8.150 nan 0.000 0.449 273 G N -3.162 105.560 108.800 -0.131 0.000 2.406 273 G HA2 0.111 4.073 3.960 0.003 0.000 0.680 273 G HA3 0.111 4.073 3.960 0.003 0.000 0.680 273 G C -0.095 174.799 174.900 -0.009 0.000 1.338 273 G CA -0.250 44.801 45.100 -0.082 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 4.590 4.527 0.003 0.000 0.299 274 F C 3.031 178.901 175.800 0.116 0.000 1.090 274 F CA 2.157 60.242 58.000 0.140 0.000 1.392 274 F CB -0.147 38.929 39.000 0.126 0.000 1.053 274 F HN 0.524 nan 8.300 nan 0.000 0.521 275 T N -0.448 114.259 114.554 0.256 0.000 2.777 275 T HA -0.133 4.219 4.350 0.003 0.000 0.266 275 T C 2.314 177.088 174.700 0.123 0.000 1.040 275 T CA 1.296 63.493 62.100 0.162 0.000 1.141 275 T CB -0.532 68.402 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 -0.100 4.222 4.320 0.003 0.000 0.217 276 A C 2.256 179.884 177.584 0.072 0.000 1.175 276 A CA 1.402 53.486 52.037 0.078 0.000 0.627 276 A CB -0.713 18.347 19.000 0.099 0.000 0.815 276 A HN 0.508 nan 8.150 nan 0.000 0.443 277 N N -0.420 118.399 118.700 0.197 0.000 2.120 277 N HA -0.137 4.605 4.740 0.003 0.000 0.188 277 N C 1.577 177.166 175.510 0.131 0.000 1.024 277 N CA 1.977 55.149 53.050 0.204 0.000 0.852 277 N CB -0.131 38.523 38.487 0.277 0.000 1.003 277 N HN 0.419 nan 8.380 nan 0.000 0.424 278 T N -0.108 114.547 114.554 0.169 0.000 2.821 278 T HA -0.075 4.277 4.350 0.003 0.000 0.267 278 T C 1.824 176.579 174.700 0.092 0.000 1.046 278 T CA 1.478 63.664 62.100 0.144 0.000 1.139 278 T CB -0.553 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 2.248 116.845 114.554 0.071 0.000 2.665 279 T HA -0.089 4.263 4.350 0.003 0.000 0.268 279 T C 1.853 176.594 174.700 0.067 0.000 1.035 279 T CA 1.045 63.176 62.100 0.053 0.000 1.151 279 T CB -0.454 68.424 68.868 0.016 0.000 0.862 279 T HN 0.110 nan 8.240 nan 0.000 0.438 280 L N 1.005 122.230 121.223 0.003 0.000 2.056 280 L HA 0.175 4.517 4.340 0.003 0.000 0.207 280 L C 2.576 179.524 176.870 0.129 0.000 1.078 280 L CA 1.710 56.552 54.840 0.003 0.000 0.749 280 L CB -0.972 40.947 42.059 -0.233 0.000 0.901 280 L HN 0.218 nan 8.230 nan 0.000 0.433 281 A N -0.755 122.112 122.820 0.080 0.000 1.933 281 A HA -0.173 4.149 4.320 0.003 0.000 0.218 281 A C 2.266 179.884 177.584 0.057 0.000 1.175 281 A CA 1.515 53.591 52.037 0.065 0.000 0.628 281 A CB -0.425 18.601 19.000 0.044 0.000 0.814 281 A HN 0.372 nan 8.150 nan 0.000 0.444 282 K N -1.383 119.063 120.400 0.076 0.000 2.002 282 K HA -0.202 4.120 4.320 0.003 0.000 0.209 282 K C 1.763 178.401 176.600 0.063 0.000 1.048 282 K CA 1.444 57.762 56.287 0.053 0.000 0.930 282 K CB -0.612 31.926 32.500 0.063 0.000 0.714 282 K HN 0.727 nan 8.250 nan 0.000 0.438 283 W N 1.847 123.133 121.300 -0.023 0.000 2.301 283 W HA -0.335 4.327 4.660 0.003 0.000 0.325 283 W C 2.319 178.836 176.519 -0.002 0.000 1.250 283 W CA 1.950 59.287 57.345 -0.014 0.000 1.261 283 W CB -0.739 28.708 29.460 -0.021 0.000 1.157 283 W HN 0.083 nan 8.180 nan 0.000 0.473 284 C N 0.142 119.546 119.300 0.172 0.000 2.396 284 C HA -0.251 4.211 4.460 0.003 0.000 0.277 284 C C 2.677 177.598 174.990 -0.115 0.000 1.231 284 C CA 1.595 60.626 59.018 0.022 0.000 1.775 284 C CB -1.689 26.162 27.740 0.186 0.000 2.036 284 C HN 0.470 nan 8.230 nan 0.000 0.484 285 R N 1.384 121.795 120.500 -0.149 0.000 2.075 285 R HA -0.074 4.268 4.340 0.003 0.000 0.232 285 R C 1.598 177.791 176.300 -0.179 0.000 1.126 285 R CA 1.817 57.788 56.100 -0.215 0.000 0.963 285 R CB -0.708 29.484 30.300 -0.180 0.000 0.858 285 R HN 0.444 nan 8.270 nan 0.000 0.435 286 D N -0.382 119.884 120.400 -0.223 0.000 2.317 286 D HA -0.025 4.617 4.640 0.003 0.000 0.211 286 D C 0.425 176.539 176.300 -0.311 0.000 0.966 286 D CA 0.786 54.648 54.000 -0.231 0.000 0.876 286 D CB 0.066 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 -0.576 117.838 118.700 -0.477 0.000 2.177 287 N HA 0.093 4.835 4.740 0.003 0.000 0.218 287 N C 0.881 176.221 175.510 -0.282 0.000 1.182 287 N CA 0.306 53.045 53.050 -0.520 0.000 0.882 287 N CB 1.782 39.585 38.487 -1.140 0.000 1.052 287 N HN 0.046 nan 8.380 nan 0.000 0.519 288 G N 1.289 110.020 108.800 -0.115 0.000 2.225 288 G HA2 -0.256 3.706 3.960 0.003 0.000 0.267 288 G HA3 -0.256 3.706 3.960 0.003 0.000 0.267 288 G C -0.063 174.812 174.900 -0.042 0.000 1.024 288 G CA 0.308 45.427 45.100 0.031 0.000 0.784 288 G HN 0.167 nan 8.290 nan 0.000 0.507 289 V N 0.834 120.755 119.914 0.012 0.000 2.472 289 V HA 0.570 4.692 4.120 0.003 0.000 0.290 289 V C 1.032 177.183 176.094 0.095 0.000 1.037 289 V CA -0.849 61.479 62.300 0.046 0.000 0.908 289 V CB 1.724 33.657 31.823 0.183 0.000 0.985 289 V HN 0.327 nan 8.190 nan 0.000 0.454 290 L N 4.544 125.739 121.223 -0.047 0.000 2.417 290 L HA 0.383 4.725 4.340 0.003 0.000 0.268 290 L C -0.396 176.434 176.870 -0.066 0.000 1.158 290 L CA -0.304 54.494 54.840 -0.070 0.000 0.819 290 L CB 0.862 42.803 42.059 -0.198 0.000 1.112 290 L HN 0.434 nan 8.230 nan 0.000 0.458 291 L N 2.822 123.980 121.223 -0.108 0.000 2.353 291 L HA 0.322 4.664 4.340 0.003 0.000 0.270 291 L C -0.547 176.162 176.870 -0.268 0.000 1.003 291 L CA -0.288 54.485 54.840 -0.111 0.000 0.862 291 L CB 0.740 42.788 42.059 -0.018 0.000 1.221 291 L HN 0.442 nan 8.230 nan 0.000 0.430 292 H N 5.358 124.167 119.070 -0.435 0.000 2.742 292 H HA 0.448 5.006 4.556 0.003 0.000 0.302 292 H C -0.663 174.569 175.328 -0.160 0.000 1.069 292 H CA -0.305 55.460 56.048 -0.472 0.000 1.446 292 H CB 0.563 29.815 29.762 -0.850 0.000 1.462 292 H HN 0.462 nan 8.280 nan 0.000 0.499 293 I N 6.237 126.508 120.570 -0.499 0.000 2.307 293 I HA 0.083 4.255 4.170 0.003 0.000 0.289 293 I C 0.495 176.416 176.117 -0.326 0.000 1.021 293 I CA -0.305 60.815 61.300 -0.300 0.000 1.224 293 I CB 0.343 38.154 38.000 -0.315 0.000 1.376 293 I HN 0.707 nan 8.210 nan 0.000 0.470 294 H N 7.579 126.511 119.070 -0.231 0.000 2.562 294 H HA 0.243 4.801 4.556 0.003 0.000 0.352 294 H C 0.621 175.894 175.328 -0.093 0.000 1.125 294 H CA -0.033 55.826 56.048 -0.316 0.000 1.379 294 H CB 1.430 31.056 29.762 -0.226 0.000 1.464 294 H HN 0.531 nan 8.280 nan 0.000 0.563 295 R N 2.880 123.221 120.500 -0.265 0.000 2.696 295 R HA 0.346 4.688 4.340 0.003 0.000 0.355 295 R C -0.469 175.821 176.300 -0.016 0.000 1.138 295 R CA -0.559 55.551 56.100 0.017 0.000 1.059 295 R CB -0.123 30.122 30.300 -0.092 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 0.092 0.000 2.565 296 A HA 0.129 4.451 4.320 0.003 0.000 0.237 296 A C 0.958 178.531 177.584 -0.017 0.000 1.053 296 A CA 0.786 52.877 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 0.602 120.209 119.600 0.011 0.000 3.019 297 M HA -0.286 4.196 4.480 0.003 0.000 0.214 297 M C 0.885 177.143 176.300 -0.070 0.000 0.577 297 M CA 1.869 57.135 55.300 -0.058 0.000 0.816 297 M CB -2.125 30.411 32.600 -0.106 0.000 2.911 297 M HN 1.236 nan 8.290 nan 0.000 0.302 298 H N -0.982 118.028 119.070 -0.100 0.000 2.421 298 H HA 0.304 4.862 4.556 0.003 0.000 0.298 298 H C 1.738 177.048 175.328 -0.031 0.000 1.087 298 H CA 1.700 57.720 56.048 -0.046 0.000 1.330 298 H CB -0.373 29.413 29.762 0.040 0.000 1.388 298 H HN 0.496 nan 8.280 nan 0.000 0.526 299 A N 1.154 123.440 122.820 -0.890 0.000 2.119 299 A HA 0.028 4.350 4.320 0.003 0.000 0.217 299 A C 2.420 179.845 177.584 -0.264 0.000 1.153 299 A CA 0.895 52.551 52.037 -0.635 0.000 0.692 299 A CB -0.617 18.040 19.000 -0.572 0.000 0.799 299 A HN 0.351 nan 8.150 nan 0.000 0.458 300 V N -0.169 119.632 119.914 -0.189 0.000 2.490 300 V HA -0.238 3.884 4.120 0.003 0.000 0.250 300 V C 2.172 178.227 176.094 -0.066 0.000 1.061 300 V CA 2.086 64.326 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 0.390 120.911 120.570 -0.081 0.000 3.172 301 I HA 0.008 4.180 4.170 0.003 0.000 0.278 301 I C 1.706 177.810 176.117 -0.022 0.000 1.174 301 I CA 0.986 62.260 61.300 -0.043 0.000 1.445 301 I CB -0.062 37.910 38.000 -0.047 0.000 1.175 301 I HN 0.437 nan 8.210 nan 0.000 0.447 302 D N -0.162 120.205 120.400 -0.054 0.000 2.398 302 D HA -0.032 4.610 4.640 0.003 0.000 0.210 302 D C 1.802 178.074 176.300 -0.047 0.000 1.094 302 D CA -0.032 53.948 54.000 -0.034 0.000 0.839 302 D CB 0.024 40.830 40.800 0.010 0.000 0.963 302 D HN -0.000 nan 8.370 nan 0.000 0.506 303 R N 0.231 120.699 120.500 -0.054 0.000 2.055 303 R HA 0.029 4.371 4.340 0.003 0.000 0.228 303 R C 0.451 176.771 176.300 0.033 0.000 1.143 303 R CA 1.033 57.114 56.100 -0.032 0.000 0.945 303 R CB -0.077 30.187 30.300 -0.059 0.000 0.841 303 R HN 0.025 nan 8.270 nan 0.000 0.429 304 Q N 1.058 120.891 119.800 0.055 0.000 2.288 304 Q HA 0.044 4.386 4.340 0.003 0.000 0.254 304 Q C 0.339 176.415 176.000 0.126 0.000 0.932 304 Q CA 0.094 55.950 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 0.483 nan 8.270 nan 0.000 0.415 305 R N 1.378 121.957 120.500 0.132 0.000 2.313 305 R HA -0.013 4.329 4.340 0.003 0.000 0.199 305 R C 0.670 177.061 176.300 0.151 0.000 0.958 305 R CA 0.742 56.939 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 0.046 118.833 118.700 0.146 0.000 2.415 306 N HA -0.105 4.637 4.740 0.003 0.000 0.174 306 N C -0.453 175.196 175.510 0.232 0.000 1.048 306 N CA 0.423 53.562 53.050 0.148 0.000 0.895 306 N CB 0.066 38.622 38.487 0.116 0.000 1.036 306 N HN 0.389 nan 8.380 nan 0.000 0.449 307 H N -1.035 118.120 119.070 0.142 0.000 2.966 307 H HA 0.577 5.135 4.556 0.003 0.000 0.347 307 H C -0.010 175.450 175.328 0.219 0.000 1.048 307 H CA 0.438 56.606 56.048 0.201 0.000 1.295 307 H CB 1.436 31.299 29.762 0.168 0.000 1.744 307 H HN 0.402 nan 8.280 nan 0.000 0.513 308 G N 2.754 111.580 108.800 0.043 0.000 2.250 308 G HA2 0.021 3.983 3.960 0.003 0.000 0.252 308 G HA3 0.021 3.983 3.960 0.003 0.000 0.252 308 G C -1.623 173.342 174.900 0.108 0.000 1.325 308 G CA -0.364 44.767 45.100 0.053 0.000 1.091 308 G HN 0.619 nan 8.290 nan 0.000 0.476 309 I N 1.069 121.661 120.570 0.035 0.000 2.466 309 I HA 0.321 4.493 4.170 0.003 0.000 0.289 309 I C 0.161 176.324 176.117 0.076 0.000 1.026 309 I CA -0.871 60.458 61.300 0.049 0.000 1.078 309 I CB 1.933 39.919 38.000 -0.025 0.000 1.249 309 I HN 0.646 nan 8.210 nan 0.000 0.429 310 H N 5.045 124.148 119.070 0.055 0.000 2.815 310 H HA -0.019 4.540 4.556 0.004 0.000 0.350 310 H C 0.475 175.858 175.328 0.092 0.000 1.080 310 H CA 0.667 56.779 56.048 0.106 0.000 1.433 310 H CB 1.019 30.846 29.762 0.109 0.000 1.432 310 H HN 0.638 nan 8.280 nan 0.000 0.592 311 F N 5.407 125.132 119.950 -0.374 0.000 2.192 311 F HA -0.224 4.305 4.527 0.003 0.000 0.301 311 F C 2.594 178.338 175.800 -0.094 0.000 1.079 311 F CA 1.790 59.667 58.000 -0.205 0.000 1.303 311 F CB -0.075 38.709 39.000 -0.361 0.000 1.024 311 F HN 0.675 nan 8.300 nan 0.000 0.494 312 R N -0.442 120.134 120.500 0.127 0.000 2.189 312 R HA -0.079 4.263 4.340 0.003 0.000 0.223 312 R C 1.689 177.987 176.300 -0.004 0.000 1.092 312 R CA 1.630 57.774 56.100 0.073 0.000 0.989 312 R CB -1.179 29.371 30.300 0.416 0.000 0.876 312 R HN 0.308 nan 8.270 nan 0.000 0.457 313 V N 1.915 121.833 119.914 0.008 0.000 2.323 313 V HA -0.160 3.962 4.120 0.003 0.000 0.244 313 V C 2.486 178.551 176.094 -0.049 0.000 1.041 313 V CA 1.421 63.727 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 0.270 121.393 121.223 -0.167 0.000 2.127 314 L HA -0.168 4.174 4.340 0.003 0.000 0.211 314 L C 2.686 179.398 176.870 -0.264 0.000 1.089 314 L CA 1.560 56.336 54.840 -0.106 0.000 0.757 314 L CB -0.849 41.149 42.059 -0.102 0.000 0.899 314 L HN 0.384 nan 8.230 nan 0.000 0.434 315 A N 0.316 122.744 122.820 -0.653 0.000 1.897 315 A HA -0.167 4.155 4.320 0.003 0.000 0.215 315 A C 2.331 179.788 177.584 -0.212 0.000 1.181 315 A CA 1.323 53.036 52.037 -0.540 0.000 0.620 315 A CB -0.235 18.399 19.000 -0.609 0.000 0.821 315 A HN 0.294 nan 8.150 nan 0.000 0.443 316 K N -0.761 119.612 120.400 -0.045 0.000 2.097 316 K HA -0.119 4.203 4.320 0.003 0.000 0.206 316 K C 1.986 178.552 176.600 -0.056 0.000 1.049 316 K CA 1.373 57.753 56.287 0.155 0.000 0.933 316 K CB -0.447 32.292 32.500 0.399 0.000 0.717 316 K HN 0.536 nan 8.250 nan 0.000 0.442 317 C N 0.612 119.860 119.300 -0.087 0.000 2.440 317 C HA -0.055 4.407 4.460 0.003 0.000 0.278 317 C C 2.523 177.441 174.990 -0.119 0.000 1.295 317 C CA 0.273 59.158 59.018 -0.221 0.000 1.738 317 C CB -0.605 27.037 27.740 -0.163 0.000 1.987 317 C HN 0.451 nan 8.230 nan 0.000 0.492 318 L N 1.213 122.413 121.223 -0.039 0.000 2.109 318 L HA -0.052 4.290 4.340 0.003 0.000 0.207 318 L C 2.712 179.455 176.870 -0.210 0.000 1.086 318 L CA 1.656 56.406 54.840 -0.149 0.000 0.760 318 L CB -0.567 41.147 42.059 -0.575 0.000 0.910 318 L HN 0.244 nan 8.230 nan 0.000 0.437 319 R N -0.475 119.872 120.500 -0.256 0.000 2.127 319 R HA -0.162 4.180 4.340 0.003 0.000 0.238 319 R C 2.000 178.153 176.300 -0.243 0.000 1.134 319 R CA 1.813 57.725 56.100 -0.312 0.000 0.975 319 R CB -0.430 29.538 30.300 -0.554 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 -0.048 4.294 4.340 0.003 0.000 0.204 320 L C 2.603 179.392 176.870 -0.135 0.000 1.076 320 L CA 1.413 56.006 54.840 -0.413 0.000 0.753 320 L CB -0.595 40.811 42.059 -1.089 0.000 0.910 320 L HN 0.283 nan 8.230 nan 0.000 0.439 321 S N -0.700 114.968 115.700 -0.053 0.000 2.368 321 S HA 0.023 4.495 4.470 0.003 0.000 0.225 321 S C 0.855 175.511 174.600 0.093 0.000 1.030 321 S CA 1.077 59.365 58.200 0.147 0.000 0.999 321 S CB -0.232 63.161 63.200 0.321 0.000 0.844 321 S HN 0.587 nan 8.310 nan 0.000 0.459 322 G N -1.432 107.368 108.800 -0.000 0.000 3.088 322 G HA2 0.425 4.387 3.960 0.003 0.000 0.620 322 G HA3 0.425 4.387 3.960 0.003 0.000 0.620 322 G C -0.358 174.497 174.900 -0.076 0.000 1.375 322 G CA -0.445 44.633 45.100 -0.037 0.000 1.016 322 G HN 0.974 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 4.576 3.960 0.003 0.000 0.296 323 G HA3 0.614 4.576 3.960 0.003 0.000 0.296 323 G C -0.131 174.693 174.900 -0.126 0.000 1.463 323 G CA 0.100 45.118 45.100 -0.137 0.000 0.890 323 G HN 0.308 nan 8.290 nan 0.000 0.534 324 D N -0.406 119.919 120.400 -0.124 0.000 2.240 324 D HA 0.077 4.719 4.640 0.003 0.000 0.206 324 D C 0.399 176.717 176.300 0.030 0.000 0.963 324 D CA 1.036 54.992 54.000 -0.074 0.000 0.863 324 D CB 0.311 41.052 40.800 -0.098 0.000 0.973 324 D HN 0.573 nan 8.370 nan 0.000 0.501 325 H N -0.696 118.260 119.070 -0.190 0.000 2.621 325 H HA 0.568 5.126 4.556 0.003 0.000 0.360 325 H C -0.979 174.162 175.328 -0.311 0.000 1.163 325 H CA -1.083 54.823 56.048 -0.237 0.000 1.194 325 H CB 2.596 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 1.685 122.834 121.223 -0.124 0.000 2.505 326 L HA 0.198 4.540 4.340 0.003 0.000 0.266 326 L C -0.822 175.995 176.870 -0.088 0.000 0.954 326 L CA -0.376 54.372 54.840 -0.153 0.000 0.852 326 L CB 1.420 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 2.948 121.843 119.070 -0.293 0.000 3.125 327 H HA 0.090 4.648 4.556 0.003 0.000 0.310 327 H C 0.369 175.535 175.328 -0.270 0.000 0.980 327 H CA 0.957 56.826 56.048 -0.299 0.000 1.422 327 H CB 0.838 30.340 29.762 -0.433 0.000 1.432 327 H HN 0.769 nan 8.280 nan 0.000 0.577 328 S N 2.029 117.658 115.700 -0.118 0.000 2.666 328 S HA 0.303 4.775 4.470 0.003 0.000 0.239 328 S C 0.952 175.601 174.600 0.083 0.000 1.031 328 S CA 0.078 58.322 58.200 0.073 0.000 1.015 328 S CB 1.088 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 1.262 110.010 108.800 -0.086 0.000 2.756 329 G HA2 -0.112 3.850 3.960 0.003 0.000 0.678 329 G HA3 -0.112 3.850 3.960 0.003 0.000 0.678 329 G C 0.321 175.245 174.900 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 -3.280 111.287 114.554 0.021 0.000 2.969 330 T HA 0.429 4.781 4.350 0.003 0.000 0.250 330 T C 1.918 176.681 174.700 0.105 0.000 1.021 330 T CA 1.490 63.618 62.100 0.047 0.000 1.003 330 T CB 0.352 69.142 68.868 -0.129 0.000 1.040 330 T HN 2.286 nan 8.240 nan 0.000 0.492 331 V N 0.808 120.757 119.914 0.058 0.000 0.481 331 V HA -0.333 3.789 4.120 0.003 0.000 0.092 331 V C 2.114 178.222 176.094 0.022 0.000 2.400 331 V CA 2.010 64.329 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 -0.857 119.048 119.914 -0.015 0.000 3.608 332 V HA 0.640 4.762 4.120 0.003 0.000 0.269 332 V C 1.237 177.276 176.094 -0.092 0.000 1.245 332 V CA 1.469 63.756 62.300 -0.022 0.000 1.138 332 V CB -0.106 31.702 31.823 -0.026 0.000 0.841 332 V HN 0.946 nan 8.190 nan 0.000 0.451 333 G N 1.293 109.985 108.800 -0.179 0.000 2.574 333 G HA2 0.293 4.255 3.960 0.003 0.000 0.248 333 G HA3 0.293 4.255 3.960 0.003 0.000 0.248 333 G C 0.703 175.309 174.900 -0.490 0.000 1.422 333 G CA -0.007 44.895 45.100 -0.330 0.000 1.051 333 G HN 0.492 nan 8.290 nan 0.000 0.560 334 K N -1.239 118.615 120.400 -0.911 0.000 2.366 334 K HA 0.174 4.496 4.320 0.003 0.000 0.198 334 K C 0.399 176.788 176.600 -0.352 0.000 1.044 334 K CA 0.454 56.157 56.287 -0.973 0.000 0.973 334 K CB -0.188 31.740 32.500 -0.954 0.000 0.767 334 K HN 0.215 nan 8.250 nan 0.000 0.475 335 L N 1.663 122.743 121.223 -0.237 0.000 2.330 335 L HA 0.329 4.671 4.340 0.003 0.000 0.271 335 L C -0.149 176.690 176.870 -0.052 0.000 1.013 335 L CA -1.150 53.620 54.840 -0.118 0.000 0.816 335 L CB 1.839 43.847 42.059 -0.086 0.000 1.287 335 L HN 0.122 nan 8.230 nan 0.000 0.435 336 E N 0.742 120.932 120.200 -0.017 0.000 2.360 336 E HA 0.425 4.777 4.350 0.003 0.000 0.269 336 E C -0.436 176.197 176.600 0.054 0.000 1.022 336 E CA -0.150 56.267 56.400 0.028 0.000 0.887 336 E CB 0.937 30.652 29.700 0.026 0.000 0.990 336 E HN 0.735 nan 8.360 nan 0.000 0.426 337 G N 3.814 112.659 108.800 0.075 0.000 2.413 337 G HA2 0.122 4.084 3.960 0.003 0.000 0.285 337 G HA3 0.122 4.084 3.960 0.003 0.000 0.285 337 G C -1.577 173.376 174.900 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 4.852 4.640 0.003 0.000 0.252 338 D C 1.500 177.812 176.300 0.019 0.000 1.150 338 D CA -0.396 53.655 54.000 0.084 0.000 0.870 338 D CB 1.210 42.088 40.800 0.129 0.000 1.153 338 D HN 0.227 nan 8.370 nan 0.000 0.457 339 K N 3.262 123.652 120.400 -0.017 0.000 2.057 339 K HA -0.182 4.140 4.320 0.003 0.000 0.207 339 K C 1.630 178.161 176.600 -0.115 0.000 1.049 339 K CA 1.153 57.390 56.287 -0.085 0.000 0.931 339 K CB -0.169 32.287 32.500 -0.074 0.000 0.714 339 K HN 0.579 nan 8.250 nan 0.000 0.440 340 A N 1.088 123.868 122.820 -0.066 0.000 1.858 340 A HA -0.165 4.157 4.320 0.003 0.000 0.216 340 A C 2.164 179.698 177.584 -0.083 0.000 1.190 340 A CA 2.460 54.455 52.037 -0.070 0.000 0.617 340 A CB -0.779 18.200 19.000 -0.035 0.000 0.827 340 A HN 0.558 nan 8.150 nan 0.000 0.443 341 S N -1.466 114.215 115.700 -0.032 0.000 2.461 341 S HA -0.084 4.388 4.470 0.003 0.000 0.228 341 S C 1.743 176.206 174.600 -0.228 0.000 1.005 341 S CA 1.631 59.835 58.200 0.007 0.000 0.942 341 S CB -0.868 62.451 63.200 0.199 0.000 0.776 341 S HN 0.457 nan 8.310 nan 0.000 0.514 342 T N 3.031 117.338 114.554 -0.411 0.000 2.821 342 T HA 0.161 4.513 4.350 0.003 0.000 0.267 342 T C 1.639 175.880 174.700 -0.765 0.000 1.046 342 T CA 1.300 62.807 62.100 -0.987 0.000 1.139 342 T CB -0.453 68.142 68.868 -0.455 0.000 0.871 342 T HN 0.337 nan 8.240 nan 0.000 0.454 343 L N 0.642 121.624 121.223 -0.402 0.000 2.141 343 L HA 0.034 4.376 4.340 0.003 0.000 0.209 343 L C 2.931 179.694 176.870 -0.177 0.000 1.094 343 L CA 1.091 55.772 54.840 -0.265 0.000 0.763 343 L CB -0.973 40.969 42.059 -0.195 0.000 0.908 343 L HN 0.331 nan 8.230 nan 0.000 0.437 344 G N 1.338 110.041 108.800 -0.162 0.000 2.453 344 G HA2 -0.322 3.640 3.960 0.003 0.000 0.215 344 G HA3 -0.322 3.640 3.960 0.003 0.000 0.215 344 G C 1.296 176.250 174.900 0.090 0.000 1.201 344 G CA 1.061 46.145 45.100 -0.027 0.000 0.784 344 G HN 0.473 nan 8.290 nan 0.000 0.545 345 F N 0.556 120.595 119.950 0.148 0.000 2.558 345 F HA 0.260 4.789 4.527 0.003 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 -0.804 38.355 39.000 0.265 0.000 1.091 345 F HN -0.001 nan 8.300 nan 0.000 0.563 346 V N 1.047 121.091 119.914 0.216 0.000 2.427 346 V HA -0.223 3.899 4.120 0.003 0.000 0.248 346 V C 2.019 178.191 176.094 0.130 0.000 1.051 346 V CA 2.193 64.617 62.300 0.207 0.000 1.048 346 V CB -0.649 31.238 31.823 0.108 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 -0.079 4.563 4.640 0.003 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 -0.173 40.663 40.800 0.060 0.000 0.961 347 D HN 0.314 nan 8.370 nan 0.000 0.470 348 L N 0.464 121.796 121.223 0.181 0.000 2.141 348 L HA -0.078 4.264 4.340 0.003 0.000 0.209 348 L C 2.336 179.246 176.870 0.068 0.000 1.094 348 L CA 0.830 55.828 54.840 0.264 0.000 0.763 348 L CB -0.368 41.892 42.059 0.335 0.000 0.908 348 L HN 0.163 nan 8.230 nan 0.000 0.437 349 M N -2.534 117.073 119.600 0.012 0.000 2.502 349 M HA 0.053 4.535 4.480 0.003 0.000 0.243 349 M C 1.825 177.996 176.300 -0.214 0.000 1.130 349 M CA 1.038 56.240 55.300 -0.163 0.000 1.055 349 M CB 0.242 32.824 32.600 -0.031 0.000 1.457 349 M HN 0.020 nan 8.290 nan 0.000 0.488 350 R N 0.248 120.673 120.500 -0.125 0.000 2.243 350 R HA 0.284 4.626 4.340 0.003 0.000 0.193 350 R C 0.245 176.492 176.300 -0.088 0.000 0.933 350 R CA 0.159 56.207 56.100 -0.088 0.000 1.105 350 R CB 0.601 30.901 30.300 -0.001 0.000 1.169 350 R HN 0.338 nan 8.270 nan 0.000 0.599 351 E N 0.502 120.678 120.200 -0.038 0.000 2.292 351 E HA 0.017 4.369 4.350 0.003 0.000 0.258 351 E C -0.079 176.582 176.600 0.102 0.000 1.115 351 E CA 0.104 56.531 56.400 0.045 0.000 0.929 351 E CB 1.160 30.918 29.700 0.096 0.000 1.161 351 E HN 0.004 nan 8.360 nan 0.000 0.453 352 D N -1.073 119.441 120.400 0.190 0.000 2.301 352 D HA -0.076 4.566 4.640 0.003 0.000 0.206 352 D C -0.269 176.280 176.300 0.414 0.000 0.979 352 D CA 0.664 54.846 54.000 0.304 0.000 0.874 352 D CB 0.447 41.372 40.800 0.208 0.000 0.968 352 D HN 0.289 nan 8.370 nan 0.000 0.510 353 H N -0.339 118.864 119.070 0.222 0.000 2.934 353 H HA 0.382 4.940 4.556 0.003 0.000 0.340 353 H C -1.623 173.794 175.328 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 30.515 29.762 0.097 0.000 1.670 353 H HN -0.136 nan 8.280 nan 0.000 0.516 354 I N 5.076 125.413 120.570 -0.389 0.000 2.439 354 I HA 0.109 4.281 4.170 0.003 0.000 0.283 354 I C 0.155 176.069 176.117 -0.339 0.000 1.023 354 I CA -0.540 60.630 61.300 -0.217 0.000 1.100 354 I CB 1.563 39.578 38.000 0.026 0.000 1.238 354 I HN 0.411 nan 8.210 nan 0.000 0.445 355 E N 3.917 123.966 120.200 -0.252 0.000 2.398 355 E HA 0.316 4.668 4.350 0.003 0.000 0.263 355 E C 0.174 176.738 176.600 -0.060 0.000 1.046 355 E CA -0.216 56.115 56.400 -0.115 0.000 0.908 355 E CB 0.972 30.673 29.700 0.001 0.000 0.963 355 E HN 0.644 nan 8.360 nan 0.000 0.431 356 A N 2.598 125.399 122.820 -0.032 0.000 2.511 356 A HA 0.085 4.407 4.320 0.003 0.000 0.242 356 A C 0.061 177.597 177.584 -0.080 0.000 1.069 356 A CA 0.204 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 1.091 121.418 120.400 -0.120 0.000 2.312 357 D HA 0.176 4.818 4.640 0.003 0.000 0.229 357 D C 0.692 176.871 176.300 -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 0.392 nan 8.370 nan 0.000 0.547 358 R N 1.107 121.443 120.500 -0.273 0.000 2.235 358 R HA -0.028 4.314 4.340 0.003 0.000 0.213 358 R C 1.705 177.852 176.300 -0.255 0.000 1.059 358 R CA 0.885 56.741 56.100 -0.407 0.000 0.997 358 R CB -0.215 29.816 30.300 -0.449 0.000 0.884 358 R HN 0.479 nan 8.270 nan 0.000 0.462 359 S N 0.176 115.780 115.700 -0.160 0.000 2.489 359 S HA 0.013 4.485 4.470 0.003 0.000 0.228 359 S C 1.574 176.123 174.600 -0.086 0.000 0.995 359 S CA 0.330 58.469 58.200 -0.102 0.000 0.934 359 S CB 0.144 63.297 63.200 -0.078 0.000 0.771 359 S HN 0.147 nan 8.310 nan 0.000 0.522 360 R N 0.329 120.771 120.500 -0.097 0.000 2.432 360 R HA 0.277 4.619 4.340 0.003 0.000 0.260 360 R C 1.434 177.700 176.300 -0.057 0.000 0.935 360 R CA 0.531 56.590 56.100 -0.070 0.000 1.080 360 R CB 0.062 30.325 30.300 -0.061 0.000 1.155 360 R HN 0.595 nan 8.270 nan 0.000 0.531 361 G N 1.130 109.866 108.800 -0.106 0.000 2.162 361 G HA2 -0.260 3.702 3.960 0.003 0.000 0.260 361 G HA3 -0.260 3.702 3.960 0.003 0.000 0.260 361 G C 0.205 175.099 174.900 -0.009 0.000 0.976 361 G CA 0.275 45.328 45.100 -0.077 0.000 0.655 361 G HN 0.160 nan 8.290 nan 0.000 0.533 362 V N 1.723 121.590 119.914 -0.079 0.000 2.338 362 V HA 0.423 4.545 4.120 0.003 0.000 0.255 362 V C 1.406 177.430 176.094 -0.117 0.000 1.082 362 V CA -0.196 62.104 62.300 -0.000 0.000 0.951 362 V CB 0.121 31.945 31.823 0.001 0.000 1.102 362 V HN 0.226 nan 8.190 nan 0.000 0.489 363 F N 3.416 123.211 119.950 -0.258 0.000 2.293 363 F HA 0.217 4.746 4.527 0.003 0.000 0.297 363 F C 0.741 176.188 175.800 -0.587 0.000 1.089 363 F CA 0.781 58.477 58.000 -0.508 0.000 1.377 363 F CB -0.051 38.467 39.000 -0.803 0.000 1.051 363 F HN 0.310 nan 8.300 nan 0.000 0.511 364 F N -1.219 118.829 119.950 0.163 0.000 2.563 364 F HA 0.380 4.909 4.527 0.003 0.000 0.316 364 F C 0.444 176.249 175.800 0.008 0.000 1.076 364 F CA -1.677 56.370 58.000 0.078 0.000 0.921 364 F CB 0.740 39.778 39.000 0.062 0.000 1.209 364 F HN -0.526 nan 8.300 nan 0.000 0.462 365 T N 1.982 116.642 114.554 0.175 0.000 2.853 365 T HA 0.191 4.543 4.350 0.003 0.000 0.298 365 T C -0.345 174.355 174.700 0.000 0.000 0.978 365 T CA 0.045 62.165 62.100 0.033 0.000 1.152 365 T CB 0.416 69.311 68.868 0.045 0.000 0.914 365 T HN 0.423 nan 8.240 nan 0.000 0.539 366 Q N 2.897 122.642 119.800 -0.091 0.000 2.331 366 Q HA 0.316 4.658 4.340 0.003 0.000 0.267 366 Q C -1.166 174.701 176.000 -0.222 0.000 1.006 366 Q CA -0.497 55.200 55.803 -0.177 0.000 0.818 366 Q CB 1.069 29.711 28.738 -0.160 0.000 1.276 366 Q HN 0.531 nan 8.270 nan 0.000 0.450 367 D N 2.864 123.118 120.400 -0.244 0.000 2.185 367 D HA 0.211 4.853 4.640 0.003 0.000 0.247 367 D C -0.378 175.716 176.300 -0.342 0.000 1.027 367 D CA -0.170 53.765 54.000 -0.108 0.000 0.861 367 D CB 0.920 41.748 40.800 0.046 0.000 1.202 367 D HN 0.750 nan 8.370 nan 0.000 0.453 368 W N 0.509 121.848 121.300 0.065 0.000 2.870 368 W HA 0.300 4.962 4.660 0.004 0.000 0.358 368 W C 1.003 177.540 176.519 0.029 0.000 1.043 368 W CA -0.390 56.972 57.345 0.029 0.000 1.692 368 W CB 0.354 29.823 29.460 0.015 0.000 1.100 368 W HN 0.577 nan 8.180 nan 0.000 0.557 369 A N 0.785 123.717 122.820 0.187 0.000 2.596 369 A HA -0.247 4.075 4.320 0.003 0.000 0.300 369 A C 1.265 178.930 177.584 0.135 0.000 1.495 369 A CA 1.287 53.401 52.037 0.129 0.000 0.769 369 A CB -1.834 17.221 19.000 0.091 0.000 1.047 369 A HN 0.683 nan 8.150 nan 0.000 0.436 370 S N -3.257 112.534 115.700 0.153 0.000 3.490 370 S HA -0.253 4.219 4.470 0.003 0.000 0.301 370 S C 0.302 174.961 174.600 0.099 0.000 1.233 370 S CA 1.393 59.660 58.200 0.112 0.000 0.914 370 S CB -1.862 61.384 63.200 0.077 0.000 1.047 370 S HN 1.748 nan 8.310 nan 0.000 0.602 371 M N 2.204 121.889 119.600 0.142 0.000 2.219 371 M HA 0.256 4.738 4.480 0.003 0.000 0.353 371 M C -2.374 173.922 176.300 -0.007 0.000 1.304 371 M CA -1.448 53.905 55.300 0.089 0.000 1.115 371 M CB 0.556 33.257 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 -0.380 176.831 177.300 -0.148 0.000 1.200 372 P CA -0.104 62.959 63.100 -0.063 0.000 0.772 372 P CB 0.405 32.080 31.700 -0.042 0.000 0.855 373 G N 0.785 109.508 108.800 -0.128 0.000 2.599 373 G HA2 0.418 4.380 3.960 0.003 0.000 0.264 373 G HA3 0.418 4.380 3.960 0.003 0.000 0.264 373 G C -0.901 173.918 174.900 -0.134 0.000 1.200 373 G CA -0.389 44.605 45.100 -0.176 0.000 0.896 373 G HN 0.367 nan 8.290 nan 0.000 0.536 374 V N 1.479 121.303 119.914 -0.149 0.000 2.384 374 V HA 0.198 4.321 4.120 0.003 0.000 0.287 374 V C -0.073 175.993 176.094 -0.046 0.000 1.020 374 V CA -0.901 61.340 62.300 -0.098 0.000 0.850 374 V CB 1.399 33.132 31.823 -0.151 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 0.254 4.596 4.340 0.003 0.000 0.271 375 L C -1.871 174.945 176.870 -0.091 0.000 1.178 375 L CA -1.267 53.550 54.840 -0.038 0.000 0.907 375 L CB 0.254 42.277 42.059 -0.061 0.000 1.164 375 L HN 0.443 nan 8.230 nan 0.000 0.482 376 P HA 0.110 nan 4.420 nan 0.000 0.276 376 P C -1.018 176.100 177.300 -0.304 0.000 1.230 376 P CA -0.208 62.822 63.100 -0.116 0.000 0.776 376 P CB 1.137 32.844 31.700 0.012 0.000 0.888 377 V N 3.032 122.735 119.914 -0.352 0.000 2.350 377 V HA 0.471 4.593 4.120 0.003 0.000 0.285 377 V C 0.474 176.222 176.094 -0.576 0.000 1.014 377 V CA -0.846 61.169 62.300 -0.476 0.000 0.831 377 V CB 1.189 32.727 31.823 -0.476 0.000 1.000 377 V HN 0.671 nan 8.190 nan 0.000 0.433 378 A N 3.883 126.312 122.820 -0.652 0.000 2.269 378 A HA 0.773 5.095 4.320 0.003 0.000 0.302 378 A C 0.148 177.440 177.584 -0.487 0.000 1.266 378 A CA -0.142 51.543 52.037 -0.586 0.000 0.894 378 A CB 0.764 19.342 19.000 -0.704 0.000 1.147 378 A HN 0.866 nan 8.150 nan 0.000 0.537 379 S N 1.910 117.377 115.700 -0.390 0.000 2.566 379 S HA 0.718 5.190 4.470 0.003 0.000 0.273 379 S C -0.531 173.942 174.600 -0.212 0.000 1.157 379 S CA 0.368 58.375 58.200 -0.322 0.000 0.938 379 S CB 1.079 64.110 63.200 -0.283 0.000 1.087 379 S HN 2.532 nan 8.310 nan 0.000 0.474 380 G N 2.057 110.724 108.800 -0.222 0.000 2.781 380 G HA2 0.456 4.418 3.960 0.003 0.000 0.468 380 G HA3 0.456 4.418 3.960 0.003 0.000 0.468 380 G C 0.789 175.517 174.900 -0.287 0.000 1.186 380 G CA 0.274 45.258 45.100 -0.194 0.000 1.220 380 G HN 2.117 nan 8.290 nan 0.000 0.564 381 G N 0.243 108.895 108.800 -0.246 0.000 2.160 381 G HA2 -0.045 3.917 3.960 0.003 0.000 0.251 381 G HA3 -0.045 3.917 3.960 0.003 0.000 0.251 381 G C 0.596 175.420 174.900 -0.128 0.000 1.008 381 G CA 1.003 45.936 45.100 -0.279 0.000 0.724 381 G HN 2.233 nan 8.290 nan 0.000 0.514 382 I N -1.968 118.507 120.570 -0.159 0.000 2.577 382 I HA 0.947 5.119 4.170 0.003 0.000 0.305 382 I C 0.253 176.521 176.117 0.252 0.000 0.986 382 I CA -1.357 59.892 61.300 -0.086 0.000 1.189 382 I CB 1.578 39.399 38.000 -0.297 0.000 1.355 382 I HN 0.314 nan 8.210 nan 0.000 0.476 383 H N 1.510 120.929 119.070 0.580 0.000 2.959 383 H HA 0.474 5.032 4.556 0.003 0.000 0.296 383 H C 0.668 176.155 175.328 0.265 0.000 1.421 383 H CA -0.442 55.761 56.048 0.258 0.000 1.206 383 H CB 0.423 30.052 29.762 -0.220 0.000 1.891 383 H HN 0.325 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 3.870 4.120 0.003 0.000 0.251 384 V C 1.459 177.586 176.094 0.055 0.000 1.063 384 V CA 1.873 64.172 62.300 -0.001 0.000 1.055 384 V CB -1.298 30.412 31.823 -0.188 0.000 0.657 384 V HN 0.778 nan 8.190 nan 0.000 0.455 385 W N -0.334 121.123 121.300 0.261 0.000 2.421 385 W HA -0.017 4.645 4.660 0.003 0.000 0.270 385 W C 2.636 179.142 176.519 -0.022 0.000 1.233 385 W CA 1.153 58.551 57.345 0.087 0.000 1.226 385 W CB -0.378 29.148 29.460 0.109 0.000 1.121 385 W HN 0.353 nan 8.180 nan 0.000 0.579 386 H N -0.888 118.352 119.070 0.284 0.000 2.548 386 H HA -0.002 4.556 4.556 0.003 0.000 0.268 386 H C 1.885 177.328 175.328 0.191 0.000 0.975 386 H CA 0.992 57.143 56.048 0.172 0.000 1.195 386 H CB -0.307 29.493 29.762 0.063 0.000 1.397 386 H HN 0.186 nan 8.280 nan 0.000 0.572 387 M N 1.446 121.219 119.600 0.288 0.000 2.108 387 M HA -0.060 4.422 4.480 0.003 0.000 0.261 387 M C -0.996 175.415 176.300 0.185 0.000 1.066 387 M CA 1.538 56.973 55.300 0.226 0.000 1.107 387 M CB -0.723 31.944 32.600 0.111 0.000 1.356 387 M HN 0.046 nan 8.290 nan 0.000 0.406 388 P HA 0.004 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 1.888 65.075 63.100 0.145 0.000 0.828 388 P CB -0.267 31.513 31.700 0.134 0.000 0.788 389 A N -0.444 122.488 122.820 0.186 0.000 1.898 389 A HA -0.124 4.198 4.320 0.003 0.000 0.216 389 A C 2.185 179.862 177.584 0.155 0.000 1.181 389 A CA 1.255 53.394 52.037 0.170 0.000 0.620 389 A CB -1.626 17.492 19.000 0.196 0.000 0.819 389 A HN 0.085 nan 8.150 nan 0.000 0.442 390 L N -0.409 120.942 121.223 0.213 0.000 2.046 390 L HA -0.174 4.168 4.340 0.003 0.000 0.208 390 L C 2.498 179.541 176.870 0.288 0.000 1.077 390 L CA 1.159 56.174 54.840 0.292 0.000 0.747 390 L CB -0.582 41.638 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 3.869 4.120 0.003 0.000 0.248 391 V C 2.438 178.605 176.094 0.122 0.000 1.051 391 V CA 1.717 64.115 62.300 0.162 0.000 1.048 391 V CB -0.404 31.496 31.823 0.129 0.000 0.666 391 V HN 0.463 nan 8.190 nan 0.000 0.456 392 E N 0.030 120.288 120.200 0.096 0.000 2.047 392 E HA -0.180 4.172 4.350 0.003 0.000 0.191 392 E C 2.239 178.829 176.600 -0.016 0.000 0.987 392 E CA 1.395 57.825 56.400 0.051 0.000 0.799 392 E CB -0.081 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 -0.212 120.311 120.570 -0.079 0.000 2.179 393 I HA -0.249 3.923 4.170 0.003 0.000 0.242 393 I C 1.740 177.633 176.117 -0.373 0.000 1.088 393 I CA 1.185 62.299 61.300 -0.309 0.000 1.357 393 I CB -0.109 37.557 38.000 -0.555 0.000 1.051 393 I HN 0.106 nan 8.210 nan 0.000 0.409 394 F N 0.174 120.123 119.950 -0.002 0.000 2.582 394 F HA 0.340 4.869 4.527 0.004 0.000 0.290 394 F C 1.571 177.374 175.800 0.005 0.000 1.115 394 F CA 0.568 58.564 58.000 -0.007 0.000 1.445 394 F CB -0.524 38.467 39.000 -0.014 0.000 1.126 394 F HN 0.140 nan 8.300 nan 0.000 0.574 395 G N 0.755 109.658 108.800 0.172 0.000 2.698 395 G HA2 -0.293 3.669 3.960 0.003 0.000 0.233 395 G HA3 -0.293 3.669 3.960 0.003 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 0.140 nan 8.290 nan 0.000 0.567 396 D N 0.441 120.897 120.400 0.092 0.000 2.117 396 D HA 0.011 4.653 4.640 0.003 0.000 0.197 396 D C 1.104 177.449 176.300 0.074 0.000 0.987 396 D CA 1.455 55.504 54.000 0.082 0.000 0.829 396 D CB -0.173 40.674 40.800 0.079 0.000 0.961 396 D HN 0.394 nan 8.370 nan 0.000 0.460 397 D N 0.632 121.078 120.400 0.075 0.000 2.608 397 D HA 0.165 4.807 4.640 0.003 0.000 0.224 397 D C -0.068 176.254 176.300 0.038 0.000 1.123 397 D CA 0.102 54.136 54.000 0.058 0.000 1.030 397 D CB -0.171 40.665 40.800 0.060 0.000 1.093 397 D HN 0.038 nan 8.370 nan 0.000 0.497 398 S N -1.294 114.406 115.700 0.001 0.000 2.587 398 S HA 0.599 5.071 4.470 0.003 0.000 0.269 398 S C -1.046 173.483 174.600 -0.118 0.000 1.154 398 S CA -0.920 57.227 58.200 -0.089 0.000 0.824 398 S CB 1.697 64.843 63.200 -0.091 0.000 1.118 398 S HN -0.095 nan 8.310 nan 0.000 0.462 399 V N 1.821 121.604 119.914 -0.219 0.000 2.444 399 V HA 0.504 4.626 4.120 0.003 0.000 0.294 399 V C -0.778 175.183 176.094 -0.223 0.000 1.022 399 V CA -0.610 61.596 62.300 -0.157 0.000 0.850 399 V CB 1.148 32.848 31.823 -0.205 0.000 0.992 399 V HN 0.823 nan 8.190 nan 0.000 0.426 400 L N 4.747 125.895 121.223 -0.124 0.000 2.296 400 L HA 0.634 4.976 4.340 0.003 0.000 0.286 400 L C -0.253 176.473 176.870 -0.239 0.000 1.023 400 L CA -0.345 54.365 54.840 -0.218 0.000 0.812 400 L CB 1.513 43.561 42.059 -0.019 0.000 1.223 400 L HN 0.608 nan 8.230 nan 0.000 0.421 401 Q N 2.793 122.281 119.800 -0.520 0.000 2.330 401 Q HA 0.552 4.894 4.340 0.003 0.000 0.269 401 Q C -1.645 173.977 176.000 -0.630 0.000 1.022 401 Q CA -0.452 55.127 55.803 -0.373 0.000 0.796 401 Q CB 2.171 30.770 28.738 -0.233 0.000 1.271 401 Q HN 0.411 nan 8.270 nan 0.000 0.450 402 F N 1.500 121.418 119.950 -0.053 0.000 2.430 402 F HA 0.401 4.930 4.527 0.003 0.000 0.362 402 F C 0.850 176.625 175.800 -0.042 0.000 1.103 402 F CA -0.642 57.324 58.000 -0.057 0.000 1.045 402 F CB 1.431 40.401 39.000 -0.051 0.000 1.276 402 F HN 0.725 nan 8.300 nan 0.000 0.444 403 G N 1.661 110.497 108.800 0.060 0.000 2.624 403 G HA2 0.066 4.028 3.960 0.003 0.000 0.216 403 G HA3 0.066 4.028 3.960 0.003 0.000 0.216 403 G C 1.739 176.684 174.900 0.075 0.000 1.274 403 G CA 0.593 45.726 45.100 0.055 0.000 0.856 403 G HN 0.767 nan 8.290 nan 0.000 0.555 404 G N 0.577 109.412 108.800 0.058 0.000 2.448 404 G HA2 0.111 4.073 3.960 0.003 0.000 0.219 404 G HA3 0.111 4.073 3.960 0.003 0.000 0.219 404 G C 1.610 176.538 174.900 0.048 0.000 1.127 404 G CA 1.249 46.398 45.100 0.081 0.000 0.766 404 G HN 0.682 nan 8.290 nan 0.000 0.552 405 G N -0.739 108.028 108.800 -0.055 0.000 2.776 405 G HA2 0.196 4.158 3.960 0.003 0.000 0.209 405 G HA3 0.196 4.158 3.960 0.003 0.000 0.209 405 G C 1.286 176.232 174.900 0.077 0.000 1.145 405 G CA 1.414 46.376 45.100 -0.230 0.000 0.791 405 G HN 0.395 nan 8.290 nan 0.000 0.530 406 T N -0.040 114.613 114.554 0.166 0.000 3.174 406 T HA 0.095 4.447 4.350 0.003 0.000 0.252 406 T C 1.959 176.775 174.700 0.195 0.000 0.984 406 T CA -0.131 62.066 62.100 0.161 0.000 1.113 406 T CB -0.007 68.917 68.868 0.093 0.000 1.088 406 T HN 0.058 nan 8.240 nan 0.000 0.442 407 L N 1.517 122.837 121.223 0.161 0.000 2.478 407 L HA 0.290 4.632 4.340 0.003 0.000 0.223 407 L C 2.216 179.206 176.870 0.200 0.000 1.140 407 L CA 0.883 55.808 54.840 0.142 0.000 0.842 407 L CB -0.219 41.893 42.059 0.088 0.000 0.953 407 L HN 0.370 nan 8.230 nan 0.000 0.452 408 G N -2.809 106.175 108.800 0.308 0.000 3.284 408 G HA2 -0.066 3.896 3.960 0.003 0.000 0.236 408 G HA3 -0.066 3.896 3.960 0.003 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 1.326 120.532 119.070 0.227 0.000 2.897 409 H HA 0.073 4.631 4.556 0.003 0.000 0.347 409 H C -1.387 173.894 175.328 -0.080 0.000 1.068 409 H CA -0.990 55.041 56.048 -0.028 0.000 1.426 409 H CB 1.882 31.635 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 0.616 178.104 177.300 0.315 0.000 1.148 410 P CA 1.243 64.256 63.100 -0.145 0.000 0.822 410 P CB 0.078 31.562 31.700 -0.360 0.000 0.784 411 W N -0.758 120.700 121.300 0.265 0.000 3.220 411 W HA 0.532 5.194 4.660 0.004 0.000 0.328 411 W C 1.147 177.740 176.519 0.122 0.000 1.205 411 W CA 0.573 58.030 57.345 0.186 0.000 1.773 411 W CB -0.917 28.652 29.460 0.181 0.000 1.086 411 W HN -0.008 nan 8.180 nan 0.000 0.622 412 G N 1.001 110.005 108.800 0.340 0.000 2.500 412 G HA2 -0.296 3.666 3.960 0.003 0.000 0.209 412 G HA3 -0.296 3.666 3.960 0.003 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 0.143 118.861 118.700 0.031 0.000 2.148 413 N HA 0.149 4.891 4.740 0.003 0.000 0.186 413 N C 2.698 178.159 175.510 -0.080 0.000 1.031 413 N CA 2.564 55.603 53.050 -0.017 0.000 0.848 413 N CB -0.728 37.740 38.487 -0.032 0.000 1.005 413 N HN 1.050 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 4.298 4.320 0.003 0.000 0.216 414 A C -0.284 177.218 177.584 -0.137 0.000 1.186 414 A CA 1.308 53.272 52.037 -0.122 0.000 0.620 414 A CB -1.502 17.425 19.000 -0.123 0.000 0.822 414 A HN 0.224 nan 8.150 nan 0.000 0.443 415 P HA -0.072 nan 4.420 nan 0.000 0.217 415 P C 1.712 178.622 177.300 -0.649 0.000 1.150 415 P CA 1.651 64.568 63.100 -0.305 0.000 0.832 415 P CB -0.348 31.256 31.700 -0.159 0.000 0.787 416 G N 0.084 108.526 108.800 -0.597 0.000 2.422 416 G HA2 -0.241 3.721 3.960 0.003 0.000 0.218 416 G HA3 -0.241 3.721 3.960 0.003 0.000 0.218 416 G C 1.619 176.403 174.900 -0.193 0.000 1.146 416 G CA 0.935 45.820 45.100 -0.358 0.000 0.769 416 G HN 0.326 nan 8.290 nan 0.000 0.547 417 A N 0.043 122.764 122.820 -0.165 0.000 1.897 417 A HA 0.064 4.386 4.320 0.003 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 0.374 114.839 114.554 -0.149 0.000 2.746 418 T HA -0.059 4.293 4.350 0.003 0.000 0.267 418 T C 2.231 176.839 174.700 -0.153 0.000 1.039 418 T CA 1.633 63.660 62.100 -0.122 0.000 1.142 418 T CB -0.477 68.333 68.868 -0.096 0.000 0.866 418 T HN 0.593 nan 8.240 nan 0.000 0.444 419 A N 2.002 124.696 122.820 -0.209 0.000 1.873 419 A HA -0.238 4.084 4.320 0.003 0.000 0.218 419 A C 2.128 179.579 177.584 -0.222 0.000 1.193 419 A CA 2.317 54.226 52.037 -0.213 0.000 0.629 419 A CB -1.030 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 -1.319 117.233 118.700 -0.248 0.000 2.120 420 N HA -0.170 4.572 4.740 0.003 0.000 0.188 420 N C 1.964 177.340 175.510 -0.223 0.000 1.024 420 N CA 1.405 54.244 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 1.070 121.483 120.500 -0.146 0.000 2.092 421 R HA 0.012 4.354 4.340 0.003 0.000 0.231 421 R C 1.650 177.924 176.300 -0.043 0.000 1.119 421 R CA 0.982 57.037 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 0.019 nan 8.270 nan 0.000 0.440 422 V N 0.781 120.659 119.914 -0.061 0.000 2.307 422 V HA -0.136 3.986 4.120 0.003 0.000 0.245 422 V C 2.339 178.398 176.094 -0.058 0.000 1.045 422 V CA 1.821 64.109 62.300 -0.021 0.000 1.024 422 V CB -0.849 30.904 31.823 -0.117 0.000 0.651 422 V HN 0.546 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 -0.248 4.074 4.320 0.003 0.000 0.219 423 A C 2.175 179.725 177.584 -0.057 0.000 1.182 423 A CA 2.364 54.316 52.037 -0.141 0.000 0.633 423 A CB -0.629 18.250 19.000 -0.202 0.000 0.819 423 A HN 0.476 nan 8.150 nan 0.000 0.448 424 L N -0.028 121.169 121.223 -0.043 0.000 1.994 424 L HA -0.148 4.194 4.340 0.003 0.000 0.208 424 L C 2.231 179.123 176.870 0.037 0.000 1.071 424 L CA 2.550 57.398 54.840 0.013 0.000 0.745 424 L CB -0.706 41.364 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 4.144 4.350 0.003 0.000 0.194 425 E C 2.122 178.772 176.600 0.082 0.000 0.988 425 E CA 1.007 57.444 56.400 0.063 0.000 0.811 425 E CB -0.284 29.460 29.700 0.073 0.000 0.746 425 E HN 0.686 nan 8.360 nan 0.000 0.466 426 A N 1.036 123.915 122.820 0.098 0.000 1.877 426 A HA -0.208 4.114 4.320 0.003 0.000 0.216 426 A C 2.481 180.112 177.584 0.078 0.000 1.186 426 A CA 1.320 53.426 52.037 0.115 0.000 0.620 426 A CB -0.937 18.129 19.000 0.109 0.000 0.822 426 A HN 0.357 nan 8.150 nan 0.000 0.443 427 C N -1.259 118.076 119.300 0.059 0.000 2.425 427 C HA -0.054 4.408 4.460 0.003 0.000 0.277 427 C C 2.756 177.786 174.990 0.067 0.000 1.280 427 C CA 1.079 60.134 59.018 0.063 0.000 1.744 427 C CB -1.235 26.545 27.740 0.066 0.000 1.989 427 C HN 0.458 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 3.881 4.120 0.003 0.000 0.245 428 V C 2.489 178.616 176.094 0.056 0.000 1.044 428 V CA 2.001 64.338 62.300 0.062 0.000 1.036 428 V CB -0.809 31.050 31.823 0.060 0.000 0.664 428 V HN 0.612 nan 8.190 nan 0.000 0.453 429 Q N 0.011 119.844 119.800 0.056 0.000 2.050 429 Q HA -0.213 4.129 4.340 0.003 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 -0.279 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 1.283 124.137 122.820 0.056 0.000 1.908 430 A HA -0.240 4.082 4.320 0.003 0.000 0.218 430 A C 2.126 179.740 177.584 0.051 0.000 1.181 430 A CA 1.658 53.728 52.037 0.054 0.000 0.627 430 A CB -0.716 18.320 19.000 0.060 0.000 0.818 430 A HN 0.431 nan 8.150 nan 0.000 0.445 431 R N -0.465 120.068 120.500 0.055 0.000 2.073 431 R HA -0.165 4.177 4.340 0.003 0.000 0.234 431 R C 1.709 178.036 176.300 0.045 0.000 1.134 431 R CA 1.797 57.929 56.100 0.053 0.000 0.952 431 R CB -0.324 30.011 30.300 0.058 0.000 0.850 431 R HN 0.502 nan 8.270 nan 0.000 0.433 432 N N 0.809 119.534 118.700 0.042 0.000 2.244 432 N HA -0.133 4.609 4.740 0.003 0.000 0.183 432 N C 1.121 176.649 175.510 0.030 0.000 1.016 432 N CA 1.216 54.287 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 -0.955 119.264 120.200 0.032 0.000 2.371 433 E HA 0.110 4.462 4.350 0.003 0.000 0.194 433 E C 0.759 177.376 176.600 0.029 0.000 1.012 433 E CA 0.471 56.887 56.400 0.028 0.000 0.860 433 E CB 0.182 29.898 29.700 0.028 0.000 0.811 433 E HN 0.418 nan 8.360 nan 0.000 0.502 434 G N 1.417 110.237 108.800 0.033 0.000 2.192 434 G HA2 -0.198 3.764 3.960 0.003 0.000 0.193 434 G HA3 -0.198 3.764 3.960 0.003 0.000 0.193 434 G C 0.105 175.028 174.900 0.039 0.000 0.999 434 G CA -0.548 44.572 45.100 0.034 0.000 0.659 434 G HN -0.003 nan 8.290 nan 0.000 0.503 435 R N 0.662 121.188 120.500 0.043 0.000 2.643 435 R HA 0.302 4.644 4.340 0.003 0.000 0.270 435 R C -0.566 175.769 176.300 0.059 0.000 1.061 435 R CA -0.150 55.979 56.100 0.049 0.000 1.107 435 R CB 0.535 30.864 30.300 0.049 0.000 0.999 435 R HN 0.272 nan 8.270 nan 0.000 0.460 436 D N 2.543 122.984 120.400 0.067 0.000 2.339 436 D HA 0.072 4.714 4.640 0.003 0.000 0.241 436 D C 1.133 177.494 176.300 0.103 0.000 1.183 436 D CA -0.168 53.888 54.000 0.093 0.000 0.859 436 D CB 0.668 41.534 40.800 0.112 0.000 1.067 436 D HN 0.402 nan 8.370 nan 0.000 0.484 437 L N 3.566 124.857 121.223 0.112 0.000 2.127 437 L HA -0.178 4.164 4.340 0.003 0.000 0.211 437 L C 1.742 178.697 176.870 0.143 0.000 1.089 437 L CA 0.877 55.787 54.840 0.115 0.000 0.757 437 L CB -0.509 41.619 42.059 0.116 0.000 0.899 437 L HN 0.576 nan 8.230 nan 0.000 0.434 438 Y N 0.869 121.197 120.300 0.046 0.000 2.114 438 Y HA -0.276 4.277 4.550 0.004 0.000 0.284 438 Y C 2.882 178.809 175.900 0.045 0.000 1.143 438 Y CA 1.817 59.943 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 -0.034 nan 8.280 nan 0.000 0.499 439 R N 0.148 120.600 120.500 -0.080 0.000 2.075 439 R HA -0.052 4.290 4.340 0.003 0.000 0.226 439 R C 1.314 177.561 176.300 -0.089 0.000 1.114 439 R CA 1.704 57.703 56.100 -0.169 0.000 0.972 439 R CB -0.057 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 -1.177 119.017 120.200 -0.010 0.000 2.501 440 E HA 0.108 4.460 4.350 0.003 0.000 0.201 440 E C 1.321 177.944 176.600 0.039 0.000 1.016 440 E CA 0.166 56.576 56.400 0.017 0.000 0.920 440 E CB 1.028 30.748 29.700 0.034 0.000 1.023 440 E HN 0.456 nan 8.360 nan 0.000 0.474 441 G N 1.728 110.554 108.800 0.044 0.000 2.459 441 G HA2 -0.281 3.681 3.960 0.003 0.000 0.217 441 G HA3 -0.281 3.681 3.960 0.003 0.000 0.217 441 G C 1.528 176.494 174.900 0.110 0.000 1.183 441 G CA 0.882 46.030 45.100 0.080 0.000 0.776 441 G HN 0.385 nan 8.290 nan 0.000 0.552 442 G N 0.242 109.136 108.800 0.156 0.000 2.432 442 G HA2 -0.131 3.831 3.960 0.003 0.000 0.219 442 G HA3 -0.131 3.831 3.960 0.003 0.000 0.219 442 G C 1.481 176.483 174.900 0.169 0.000 1.135 442 G CA 1.224 46.497 45.100 0.288 0.000 0.767 442 G HN 0.356 nan 8.290 nan 0.000 0.550 443 D N 0.609 121.065 120.400 0.093 0.000 2.123 443 D HA -0.037 4.605 4.640 0.003 0.000 0.200 443 D C 2.596 178.921 176.300 0.042 0.000 0.976 443 D CA 0.431 54.467 54.000 0.061 0.000 0.831 443 D CB -0.015 40.812 40.800 0.045 0.000 0.974 443 D HN 0.343 nan 8.370 nan 0.000 0.469 444 I N 1.049 121.644 120.570 0.042 0.000 2.208 444 I HA -0.258 3.914 4.170 0.003 0.000 0.245 444 I C 2.497 178.607 176.117 -0.012 0.000 1.097 444 I CA 0.784 62.104 61.300 0.035 0.000 1.363 444 I CB -0.151 37.876 38.000 0.044 0.000 1.051 444 I HN -0.028 nan 8.210 nan 0.000 0.413 445 L N -0.094 121.097 121.223 -0.054 0.000 2.056 445 L HA -0.166 4.176 4.340 0.003 0.000 0.207 445 L C 2.758 179.496 176.870 -0.220 0.000 1.078 445 L CA 1.329 56.055 54.840 -0.189 0.000 0.749 445 L CB -0.477 41.388 42.059 -0.323 0.000 0.901 445 L HN 0.155 nan 8.230 nan 0.000 0.433 446 R N -0.104 120.330 120.500 -0.109 0.000 2.092 446 R HA -0.142 4.200 4.340 0.003 0.000 0.231 446 R C 2.168 178.422 176.300 -0.076 0.000 1.119 446 R CA 1.159 57.214 56.100 -0.076 0.000 0.970 446 R CB -0.138 30.176 30.300 0.024 0.000 0.864 446 R HN 0.411 nan 8.270 nan 0.000 0.440 447 E N 0.420 120.603 120.200 -0.028 0.000 2.058 447 E HA -0.204 4.149 4.350 0.003 0.000 0.194 447 E C 2.007 178.593 176.600 -0.022 0.000 0.997 447 E CA 1.417 57.835 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 0.869 123.603 122.820 -0.143 0.000 1.969 448 A HA -0.065 4.257 4.320 0.003 0.000 0.218 448 A C 2.369 179.346 177.584 -1.012 0.000 1.169 448 A CA 1.475 53.167 52.037 -0.575 0.000 0.635 448 A CB -0.869 17.909 19.000 -0.370 0.000 0.810 448 A HN 0.360 nan 8.150 nan 0.000 0.445 449 G N -0.614 107.862 108.800 -0.540 0.000 2.509 449 G HA2 -0.155 3.807 3.960 0.003 0.000 0.218 449 G HA3 -0.155 3.807 3.960 0.003 0.000 0.218 449 G C 1.544 176.250 174.900 -0.324 0.000 1.124 449 G CA 1.005 45.839 45.100 -0.442 0.000 0.776 449 G HN 0.552 nan 8.290 nan 0.000 0.547 450 K N -0.080 120.171 120.400 -0.249 0.000 2.097 450 K HA -0.029 4.293 4.320 0.003 0.000 0.205 450 K C 1.985 178.595 176.600 0.017 0.000 1.050 450 K CA 1.514 57.765 56.287 -0.060 0.000 0.938 450 K CB -0.133 32.402 32.500 0.059 0.000 0.718 450 K HN 0.740 nan 8.250 nan 0.000 0.442 451 W N -1.618 119.675 121.300 -0.012 0.000 3.127 451 W HA 0.377 5.039 4.660 0.003 0.000 0.344 451 W C -0.067 176.450 176.519 -0.003 0.000 1.151 451 W CA -0.408 56.934 57.345 -0.005 0.000 1.765 451 W CB -0.016 29.440 29.460 -0.007 0.000 1.085 451 W HN -0.166 nan 8.180 nan 0.000 0.596 452 S N 3.605 119.053 115.700 -0.420 0.000 2.622 452 S HA 0.333 4.805 4.470 0.003 0.000 0.283 452 S C -1.062 173.410 174.600 -0.213 0.000 1.197 452 S CA -1.398 56.602 58.200 -0.334 0.000 1.146 452 S CB 1.180 63.960 63.200 -0.700 0.000 1.007 452 S HN -0.249 nan 8.310 nan 0.000 0.478 453 P HA -0.145 nan 4.420 nan 0.000 0.218 453 P C 1.207 178.416 177.300 -0.152 0.000 1.149 453 P CA 1.095 64.213 63.100 0.031 0.000 0.817 453 P CB 0.133 31.992 31.700 0.265 0.000 0.785 454 E N 0.068 120.168 120.200 -0.166 0.000 2.152 454 E HA -0.125 4.227 4.350 0.003 0.000 0.192 454 E C 2.108 178.547 176.600 -0.268 0.000 0.983 454 E CA 0.663 56.827 56.400 -0.392 0.000 0.818 454 E CB -1.366 28.193 29.700 -0.237 0.000 0.758 454 E HN 0.189 nan 8.360 nan 0.000 0.467 455 L N 1.684 122.741 121.223 -0.277 0.000 2.046 455 L HA 0.011 4.353 4.340 0.003 0.000 0.208 455 L C 2.446 179.118 176.870 -0.329 0.000 1.077 455 L CA 2.020 56.676 54.840 -0.306 0.000 0.747 455 L CB -0.882 40.940 42.059 -0.395 0.000 0.896 455 L HN 0.126 nan 8.230 nan 0.000 0.432 456 A N -0.388 122.243 122.820 -0.315 0.000 1.902 456 A HA -0.113 4.209 4.320 0.003 0.000 0.217 456 A C 2.443 179.846 177.584 -0.301 0.000 1.181 456 A CA 1.816 53.692 52.037 -0.270 0.000 0.623 456 A CB -1.166 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 -0.477 122.091 122.820 -0.420 0.000 1.969 457 A HA 0.224 4.546 4.320 0.003 0.000 0.218 457 A C 2.397 179.587 177.584 -0.656 0.000 1.169 457 A CA 1.901 53.586 52.037 -0.587 0.000 0.635 457 A CB -0.717 17.653 19.000 -1.050 0.000 0.810 457 A HN 0.962 nan 8.150 nan 0.000 0.445 458 A N -0.320 122.183 122.820 -0.530 0.000 1.898 458 A HA 0.142 4.464 4.320 0.003 0.000 0.214 458 A C 2.099 179.508 177.584 -0.291 0.000 1.183 458 A CA 1.065 52.830 52.037 -0.452 0.000 0.622 458 A CB -0.511 18.455 19.000 -0.057 0.000 0.824 458 A HN 0.423 nan 8.150 nan 0.000 0.444 459 L N -0.210 120.833 121.223 -0.299 0.000 2.012 459 L HA -0.236 4.106 4.340 0.003 0.000 0.210 459 L C 2.180 179.121 176.870 0.119 0.000 1.073 459 L CA 1.609 56.296 54.840 -0.255 0.000 0.748 459 L CB -0.727 41.069 42.059 -0.439 0.000 0.891 459 L HN 0.355 nan 8.230 nan 0.000 0.431 460 D N 0.007 120.355 120.400 -0.087 0.000 2.104 460 D HA -0.207 4.435 4.640 0.003 0.000 0.194 460 D C 2.113 178.310 176.300 -0.171 0.000 0.994 460 D CA 1.322 55.265 54.000 -0.094 0.000 0.830 460 D CB -0.107 40.591 40.800 -0.171 0.000 0.959 460 D HN 0.149 nan 8.370 nan 0.000 0.452 461 L N -0.374 120.608 121.223 -0.400 0.000 2.093 461 L HA -0.110 4.232 4.340 0.003 0.000 0.208 461 L C 1.318 177.871 176.870 -0.530 0.000 1.085 461 L CA 1.374 55.832 54.840 -0.637 0.000 0.755 461 L CB -0.265 41.067 42.059 -1.212 0.000 0.904 461 L HN 0.155 nan 8.230 nan 0.000 0.435 462 W N -0.700 120.542 121.300 -0.096 0.000 2.991 462 W HA 0.235 4.897 4.660 0.003 0.000 0.391 462 W C 1.890 178.318 176.519 -0.152 0.000 1.054 462 W CA -0.521 56.685 57.345 -0.233 0.000 1.856 462 W CB -0.321 28.763 29.460 -0.626 0.000 1.132 462 W HN 0.218 nan 8.180 nan 0.000 0.601 463 K N 1.129 121.601 120.400 0.120 0.000 2.089 463 K HA -0.206 4.116 4.320 0.003 0.000 0.210 463 K C 1.302 177.714 176.600 -0.314 0.000 1.048 463 K CA 1.579 57.734 56.287 -0.220 0.000 0.926 463 K CB 0.273 32.707 32.500 -0.110 0.000 0.714 463 K HN -0.084 nan 8.250 nan 0.000 0.448 464 E N 0.184 120.295 120.200 -0.148 0.000 2.479 464 E HA 0.011 4.363 4.350 0.003 0.000 0.193 464 E C -0.111 176.428 176.600 -0.103 0.000 1.049 464 E CA 0.127 56.446 56.400 -0.135 0.000 0.870 464 E CB 0.441 30.085 29.700 -0.094 0.000 0.944 464 E HN 0.233 nan 8.360 nan 0.000 0.492 465 I N 2.281 122.826 120.570 -0.042 0.000 2.281 465 I HA 0.177 4.349 4.170 0.003 0.000 0.293 465 I C 0.107 176.179 176.117 -0.076 0.000 1.085 465 I CA -0.204 61.077 61.300 -0.031 0.000 1.257 465 I CB 0.070 38.148 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 -0.282 0.000 2.328 466 K HA 0.660 4.982 4.320 0.003 0.000 0.246 466 K C -1.173 175.103 176.600 -0.541 0.000 0.955 466 K CA -0.383 55.750 56.287 -0.257 0.000 0.817 466 K CB 2.146 34.578 32.500 -0.115 0.000 1.208 466 K HN 0.135 nan 8.250 nan 0.000 0.432 467 F N 1.203 121.244 119.950 0.152 0.000 2.430 467 F HA 0.339 4.868 4.527 0.003 0.000 0.362 467 F C -0.282 175.578 175.800 0.100 0.000 1.103 467 F CA -0.505 57.604 58.000 0.181 0.000 1.045 467 F CB 1.586 40.725 39.000 0.232 0.000 1.276 467 F HN 0.373 nan 8.300 nan 0.000 0.444 468 E N 3.675 123.842 120.200 -0.055 0.000 2.518 468 E HA 0.451 4.803 4.350 0.003 0.000 0.240 468 E C -1.363 175.009 176.600 -0.379 0.000 0.996 468 E CA -0.236 56.090 56.400 -0.123 0.000 0.768 468 E CB 0.928 30.537 29.700 -0.151 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 0.326 4.854 4.527 0.003 0.000 0.328 469 F C 0.566 176.401 175.800 0.058 0.000 1.067 469 F CA -1.061 56.981 58.000 0.070 0.000 0.969 469 F CB 1.127 40.172 39.000 0.076 0.000 1.332 469 F HN 0.107 nan 8.300 nan 0.000 0.490 470 E N 0.926 121.279 120.200 0.254 0.000 2.366 470 E HA 0.024 4.376 4.350 0.003 0.000 0.266 470 E C -0.482 176.205 176.600 0.145 0.000 1.015 470 E CA -0.050 56.443 56.400 0.154 0.000 0.906 470 E CB 0.881 30.654 29.700 0.120 0.000 0.979 470 E HN 0.615 nan 8.360 nan 0.000 0.443 471 T N 5.272 119.896 114.554 0.117 0.000 2.761 471 T HA 0.087 4.439 4.350 0.003 0.000 0.296 471 T C 1.510 176.263 174.700 0.089 0.000 0.934 471 T CA -0.792 61.370 62.100 0.104 0.000 1.091 471 T CB 0.428 69.357 68.868 0.102 0.000 0.896 471 T HN 0.468 nan 8.240 nan 0.000 0.515 472 M N 3.099 122.745 119.600 0.077 0.000 2.175 472 M HA 0.038 4.520 4.480 0.003 0.000 0.264 472 M C 1.191 177.544 176.300 0.088 0.000 1.063 472 M CA 0.954 56.297 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 2.539 123.000 120.400 0.103 0.000 2.688 473 D HA 0.112 4.754 4.640 0.003 0.000 0.228 473 D C -0.474 175.924 176.300 0.164 0.000 1.116 473 D CA 0.038 54.125 54.000 0.144 0.000 1.023 473 D CB -0.098 40.793 40.800 0.153 0.000 1.100 473 D HN 0.191 nan 8.370 nan 0.000 0.487 474 K N 1.198 121.679 120.400 0.135 0.000 2.270 474 K HA 0.248 4.570 4.320 0.003 0.000 0.276 474 K C 0.701 177.388 176.600 0.146 0.000 1.023 474 K CA -0.652 55.707 56.287 0.121 0.000 0.955 474 K CB 1.517 34.072 32.500 0.091 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 4.342 4.340 0.003 0.000 0.249 475 L CA 0.000 54.922 54.840 0.137 0.000 0.813 475 L CB 0.000 42.108 42.059 0.082 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502