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 1t90_1_B DATA FIRST_RESID 3 DATA SEQUENCE EIRKLKNYIN GEWVESKTDQ YEDVVNPATK EVLCQVPIST KEDIDYAAQT DATA SEQUENCE AAEAFKTWSK VAVPRRARIL FNFQQLLSQH KEELAHLITI ENGKNTKEAL DATA SEQUENCE GEVGRGIENV EFAAGAPSLM MGDSLASIAT DVEAANYRYP IGVVGGIAPF DATA SEQUENCE NFPMMVPCWM FPMAIALGNT FILKPSERTP LLTEKLVELF EKAGLPKGVF DATA SEQUENCE NVVYGAHDVV NGILEHPEIK AISFVGSKPV GEYVYKKGSE NLKRVQSLTG DATA SEQUENCE AKNHTIVLND ANLEDTVTNI VGAAFGSAGE RCMACAVVTV EEGIADEFMA DATA SEQUENCE KLQEKVADIK IGNGLDDGVF LGPVIREDNK KRTLSYIEKG LEEGARLVCD DATA SEQUENCE GRENVSDDGY FVGPTIFDNV TTEMTIWKDE IFAPVLSVIR VKNLKEAIEI DATA SEQUENCE ANKSEFANGA CLFTSNSNAI RYFRENIDAG MLGINLGVPA PMAFFPFSGW DATA SEQUENCE KSSFFGTLHA NGKDSVDFYT RKKVVTARYP APDF 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.574 176.600 -0.044 0.000 1.382 3 E CA 0.000 56.376 56.400 -0.040 0.000 0.976 3 E CB 0.000 29.680 29.700 -0.032 0.000 0.812 4 I N 3.832 124.371 120.570 -0.051 0.000 2.294 4 I HA 0.191 4.360 4.170 -0.001 0.000 0.295 4 I C 0.910 176.987 176.117 -0.066 0.000 1.098 4 I CA -0.162 61.107 61.300 -0.052 0.000 1.277 4 I CB -0.093 37.879 38.000 -0.047 0.000 1.434 4 I HN 0.094 nan 8.210 nan 0.000 0.498 5 R N 6.225 126.689 120.500 -0.060 0.000 2.523 5 R HA -0.055 4.284 4.340 -0.001 0.000 0.281 5 R C -0.238 176.021 176.300 -0.068 0.000 0.969 5 R CA 0.427 56.486 56.100 -0.068 0.000 1.093 5 R CB 0.442 30.701 30.300 -0.068 0.000 0.917 5 R HN 0.463 nan 8.270 nan 0.000 0.408 6 K N 4.337 124.694 120.400 -0.071 0.000 2.183 6 K HA 0.203 4.523 4.320 -0.001 0.000 0.274 6 K C -0.620 175.992 176.600 0.019 0.000 1.009 6 K CA -0.814 55.460 56.287 -0.021 0.000 0.888 6 K CB 1.103 33.541 32.500 -0.103 0.000 1.078 6 K HN 0.267 nan 8.250 nan 0.000 0.459 7 L N 2.931 124.180 121.223 0.043 0.000 2.418 7 L HA 0.248 4.588 4.340 -0.001 0.000 0.265 7 L C 0.387 177.342 176.870 0.141 0.000 1.143 7 L CA 0.366 55.191 54.840 -0.024 0.000 0.809 7 L CB 0.461 42.383 42.059 -0.229 0.000 1.124 7 L HN 0.499 nan 8.230 nan 0.000 0.456 8 K N 1.128 121.646 120.400 0.198 0.000 2.280 8 K HA 0.475 4.795 4.320 -0.001 0.000 0.234 8 K C -0.675 176.312 176.600 0.644 0.000 1.028 8 K CA -0.842 55.669 56.287 0.375 0.000 0.882 8 K CB 1.161 33.889 32.500 0.380 0.000 1.194 8 K HN 0.510 nan 8.250 nan 0.000 0.458 9 N N -0.090 118.913 118.700 0.506 0.000 2.482 9 N HA 0.183 4.923 4.740 -0.001 0.000 0.279 9 N C -1.517 174.141 175.510 0.246 0.000 1.182 9 N CA -0.529 52.733 53.050 0.354 0.000 0.969 9 N CB 0.735 39.312 38.487 0.151 0.000 1.201 9 N HN 0.370 nan 8.380 nan 0.000 0.523 10 Y N 1.973 122.076 120.300 -0.329 0.000 2.464 10 Y HA 0.485 5.035 4.550 -0.001 0.000 0.326 10 Y C -1.240 174.342 175.900 -0.531 0.000 0.969 10 Y CA -0.524 57.127 58.100 -0.748 0.000 1.270 10 Y CB 0.175 37.833 38.460 -1.337 0.000 1.103 10 Y HN 0.333 nan 8.280 nan 0.000 0.491 11 I N 5.143 125.314 120.570 -0.665 0.000 2.498 11 I HA 0.218 4.387 4.170 -0.001 0.000 0.290 11 I C -0.093 175.626 176.117 -0.664 0.000 1.032 11 I CA -1.249 59.680 61.300 -0.618 0.000 1.073 11 I CB 1.824 39.497 38.000 -0.546 0.000 1.251 11 I HN 0.671 nan 8.210 nan 0.000 0.426 12 N N 4.634 122.972 118.700 -0.604 0.000 2.738 12 N HA -0.176 4.564 4.740 -0.001 0.000 0.249 12 N C 0.744 175.951 175.510 -0.505 0.000 1.047 12 N CA 1.196 53.974 53.050 -0.453 0.000 0.707 12 N CB -0.768 37.526 38.487 -0.322 0.000 0.937 12 N HN 1.166 nan 8.380 nan 0.000 0.545 13 G N -1.110 107.222 108.800 -0.780 0.000 2.203 13 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.263 13 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.263 13 G C -0.139 174.334 174.900 -0.711 0.000 1.012 13 G CA 0.882 45.553 45.100 -0.716 0.000 0.749 13 G HN 0.756 nan 8.290 nan 0.000 0.512 14 E N -1.623 117.995 120.200 -0.970 0.000 2.356 14 E HA 0.600 4.949 4.350 -0.001 0.000 0.275 14 E C -0.996 175.351 176.600 -0.422 0.000 0.904 14 E CA -1.015 55.114 56.400 -0.453 0.000 0.757 14 E CB 0.793 30.375 29.700 -0.195 0.000 1.232 14 E HN 0.243 nan 8.360 nan 0.000 0.442 15 W N 4.471 125.785 121.300 0.024 0.000 2.416 15 W HA 0.401 5.060 4.660 -0.001 0.000 0.318 15 W C -0.341 176.218 176.519 0.067 0.000 1.150 15 W CA -0.646 56.767 57.345 0.113 0.000 1.392 15 W CB 0.830 30.389 29.460 0.166 0.000 1.311 15 W HN 0.269 nan 8.180 nan 0.000 0.436 16 V N 0.873 120.954 119.914 0.278 0.000 2.581 16 V HA 0.475 4.595 4.120 -0.001 0.000 0.303 16 V C -0.092 176.140 176.094 0.230 0.000 1.041 16 V CA -1.406 61.019 62.300 0.209 0.000 0.907 16 V CB 1.672 33.595 31.823 0.167 0.000 0.994 16 V HN 0.517 nan 8.190 nan 0.000 0.442 17 E N 2.598 122.907 120.200 0.182 0.000 2.383 17 E HA 0.331 4.680 4.350 -0.001 0.000 0.264 17 E C 0.154 176.852 176.600 0.163 0.000 1.050 17 E CA -0.182 56.328 56.400 0.183 0.000 0.896 17 E CB 1.170 30.958 29.700 0.147 0.000 0.982 17 E HN 0.998 nan 8.360 nan 0.000 0.424 18 S N 2.577 118.382 115.700 0.174 0.000 2.565 18 S HA 0.105 4.575 4.470 -0.001 0.000 0.276 18 S C -0.117 174.544 174.600 0.102 0.000 1.326 18 S CA -0.485 57.786 58.200 0.117 0.000 1.045 18 S CB 0.446 63.678 63.200 0.054 0.000 0.918 18 S HN 0.456 nan 8.310 nan 0.000 0.505 19 K N 3.118 123.559 120.400 0.068 0.000 3.006 19 K HA 0.140 4.460 4.320 -0.001 0.000 0.265 19 K C 0.055 176.684 176.600 0.047 0.000 1.279 19 K CA -0.111 56.208 56.287 0.053 0.000 1.229 19 K CB 0.016 32.533 32.500 0.028 0.000 1.555 19 K HN 0.447 nan 8.250 nan 0.000 0.300 20 T N -0.839 113.752 114.554 0.061 0.000 2.906 20 T HA 0.192 4.541 4.350 -0.001 0.000 0.295 20 T C -0.145 174.628 174.700 0.121 0.000 1.075 20 T CA -0.756 61.365 62.100 0.034 0.000 1.005 20 T CB 1.475 70.295 68.868 -0.079 0.000 1.136 20 T HN 0.137 nan 8.240 nan 0.000 0.498 21 D N 1.012 121.473 120.400 0.102 0.000 2.380 21 D HA 0.067 4.707 4.640 -0.001 0.000 0.212 21 D C 0.587 177.014 176.300 0.213 0.000 1.021 21 D CA 0.254 54.348 54.000 0.157 0.000 0.884 21 D CB 0.459 41.310 40.800 0.086 0.000 1.001 21 D HN 0.564 nan 8.370 nan 0.000 0.506 22 Q N 0.247 120.107 119.800 0.099 0.000 2.286 22 Q HA 0.230 4.570 4.340 -0.001 0.000 0.257 22 Q C -1.358 174.636 176.000 -0.010 0.000 0.941 22 Q CA -0.002 55.843 55.803 0.071 0.000 0.912 22 Q CB 0.604 29.339 28.738 -0.004 0.000 1.192 22 Q HN 0.015 nan 8.270 nan 0.000 0.410 23 Y N 1.538 121.836 120.300 -0.002 0.000 2.634 23 Y HA 0.439 4.989 4.550 -0.001 0.000 0.340 23 Y C -0.735 175.157 175.900 -0.014 0.000 1.058 23 Y CA -0.954 57.143 58.100 -0.005 0.000 1.081 23 Y CB 2.391 40.845 38.460 -0.010 0.000 1.295 23 Y HN 0.614 nan 8.280 nan 0.000 0.487 24 E N 0.600 120.876 120.200 0.127 0.000 2.272 24 E HA 0.284 4.634 4.350 -0.001 0.000 0.269 24 E C -2.005 174.628 176.600 0.054 0.000 0.877 24 E CA -0.698 55.736 56.400 0.057 0.000 0.755 24 E CB 1.197 30.902 29.700 0.009 0.000 1.192 24 E HN 0.366 nan 8.360 nan 0.000 0.422 25 D N 1.564 121.985 120.400 0.033 0.000 2.351 25 D HA 0.201 4.840 4.640 -0.001 0.000 0.251 25 D C -1.014 175.291 176.300 0.009 0.000 1.137 25 D CA 0.072 54.084 54.000 0.021 0.000 0.879 25 D CB 1.382 42.193 40.800 0.017 0.000 1.181 25 D HN 0.132 nan 8.370 nan 0.000 0.448 26 V N 4.417 124.330 119.914 -0.000 0.000 2.378 26 V HA 0.573 4.692 4.120 -0.001 0.000 0.288 26 V C -0.318 175.773 176.094 -0.004 0.000 1.016 26 V CA -0.508 61.789 62.300 -0.006 0.000 0.840 26 V CB 1.149 32.957 31.823 -0.025 0.000 0.994 26 V HN 0.330 nan 8.190 nan 0.000 0.431 27 V N 3.672 123.591 119.914 0.008 0.000 3.193 27 V HA 0.622 4.742 4.120 -0.001 0.000 0.320 27 V C 0.009 176.089 176.094 -0.022 0.000 1.112 27 V CA -0.855 61.445 62.300 -0.001 0.000 1.026 27 V CB 1.799 33.637 31.823 0.026 0.000 1.128 27 V HN 0.982 nan 8.190 nan 0.000 0.452 28 N N 1.358 120.022 118.700 -0.060 0.000 2.462 28 N HA 0.399 5.138 4.740 -0.001 0.000 0.242 28 N C -1.958 173.448 175.510 -0.174 0.000 1.010 28 N CA -1.662 51.334 53.050 -0.090 0.000 0.939 28 N CB 1.678 40.116 38.487 -0.082 0.000 1.127 28 N HN 0.485 nan 8.380 nan 0.000 0.509 29 P HA -0.214 nan 4.420 nan 0.000 0.218 29 P C 0.390 177.362 177.300 -0.547 0.000 1.147 29 P CA 1.120 64.055 63.100 -0.275 0.000 0.827 29 P CB 0.238 31.869 31.700 -0.115 0.000 0.778 30 A N -1.712 120.892 122.820 -0.360 0.000 2.195 30 A HA 0.086 4.406 4.320 -0.001 0.000 0.210 30 A C 1.670 179.172 177.584 -0.136 0.000 1.165 30 A CA 1.549 53.407 52.037 -0.299 0.000 0.806 30 A CB -0.710 18.303 19.000 0.022 0.000 0.847 30 A HN 0.319 nan 8.150 nan 0.000 0.482 31 T N -5.608 108.830 114.554 -0.194 0.000 3.130 31 T HA 0.235 4.585 4.350 -0.001 0.000 0.288 31 T C 0.546 175.146 174.700 -0.166 0.000 0.936 31 T CA 0.516 62.544 62.100 -0.119 0.000 0.897 31 T CB -0.254 68.583 68.868 -0.050 0.000 1.178 31 T HN 0.351 nan 8.240 nan 0.000 0.543 32 K N 0.851 121.084 120.400 -0.279 0.000 3.426 32 K HA -0.202 4.118 4.320 -0.001 0.000 0.315 32 K C 0.099 176.647 176.600 -0.086 0.000 1.293 32 K CA 1.159 57.319 56.287 -0.212 0.000 0.955 32 K CB -1.336 31.062 32.500 -0.169 0.000 1.238 32 K HN 0.749 nan 8.250 nan 0.000 0.441 33 E N 1.839 121.991 120.200 -0.080 0.000 2.366 33 E HA 0.094 4.444 4.350 -0.001 0.000 0.266 33 E C -0.375 176.205 176.600 -0.033 0.000 1.015 33 E CA -0.212 56.162 56.400 -0.044 0.000 0.906 33 E CB 0.689 30.366 29.700 -0.038 0.000 0.979 33 E HN 0.046 nan 8.360 nan 0.000 0.443 34 V N 7.083 126.985 119.914 -0.020 0.000 2.521 34 V HA -0.034 4.086 4.120 -0.001 0.000 0.286 34 V C 1.292 177.375 176.094 -0.019 0.000 1.034 34 V CA 0.251 62.542 62.300 -0.015 0.000 1.045 34 V CB 0.919 32.735 31.823 -0.010 0.000 0.974 34 V HN 0.761 nan 8.190 nan 0.000 0.480 35 L N 4.437 125.648 121.223 -0.020 0.000 2.316 35 L HA 0.232 4.572 4.340 -0.001 0.000 0.207 35 L C 0.934 177.786 176.870 -0.030 0.000 1.070 35 L CA 0.702 55.528 54.840 -0.023 0.000 0.820 35 L CB 0.290 42.335 42.059 -0.024 0.000 0.992 35 L HN 0.905 nan 8.230 nan 0.000 0.466 36 C N -3.190 116.091 119.300 -0.032 0.000 3.260 36 C HA 0.452 4.912 4.460 -0.001 0.000 0.366 36 C C -1.365 173.611 174.990 -0.024 0.000 1.537 36 C CA -1.006 57.988 59.018 -0.040 0.000 1.160 36 C CB 1.637 29.339 27.740 -0.063 0.000 1.760 36 C HN 0.211 nan 8.230 nan 0.000 0.432 37 Q N 0.739 120.534 119.800 -0.009 0.000 2.325 37 Q HA 0.670 5.010 4.340 -0.001 0.000 0.270 37 Q C -1.192 174.881 176.000 0.123 0.000 1.020 37 Q CA -0.441 55.406 55.803 0.072 0.000 0.785 37 Q CB 2.346 31.128 28.738 0.073 0.000 1.259 37 Q HN 0.649 nan 8.270 nan 0.000 0.452 38 V N 4.695 124.648 119.914 0.064 0.000 2.439 38 V HA 0.414 4.533 4.120 -0.001 0.000 0.282 38 V C -2.089 173.936 176.094 -0.115 0.000 1.039 38 V CA -1.769 60.493 62.300 -0.063 0.000 0.913 38 V CB 1.072 32.819 31.823 -0.126 0.000 0.983 38 V HN 0.659 nan 8.190 nan 0.000 0.460 39 P HA 0.319 nan 4.420 nan 0.000 0.284 39 P C -0.694 176.432 177.300 -0.290 0.000 1.253 39 P CA -0.324 62.356 63.100 -0.700 0.000 0.800 39 P CB 1.377 32.722 31.700 -0.591 0.000 0.961 40 I N 1.815 122.207 120.570 -0.297 0.000 2.234 40 I HA 0.098 4.268 4.170 -0.001 0.000 0.287 40 I C 0.825 176.887 176.117 -0.092 0.000 1.131 40 I CA -0.237 60.991 61.300 -0.120 0.000 1.335 40 I CB -1.430 36.510 38.000 -0.100 0.000 1.511 40 I HN 0.225 nan 8.210 nan 0.000 0.588 41 S N 3.087 118.757 115.700 -0.050 0.000 2.537 41 S HA 0.038 4.508 4.470 -0.001 0.000 0.280 41 S C 1.038 175.643 174.600 0.009 0.000 1.335 41 S CA 0.153 58.347 58.200 -0.011 0.000 1.025 41 S CB 0.309 63.531 63.200 0.036 0.000 0.836 41 S HN 0.739 nan 8.310 nan 0.000 0.523 42 T N -0.715 113.851 114.554 0.020 0.000 2.936 42 T HA 0.417 4.767 4.350 -0.001 0.000 0.282 42 T C 0.702 175.430 174.700 0.047 0.000 1.003 42 T CA -1.036 61.081 62.100 0.030 0.000 1.005 42 T CB 0.813 69.696 68.868 0.025 0.000 1.097 42 T HN 0.473 nan 8.240 nan 0.000 0.532 43 K N -0.042 120.388 120.400 0.050 0.000 2.519 43 K HA -0.101 4.218 4.320 -0.001 0.000 0.196 43 K C 1.979 178.621 176.600 0.071 0.000 1.041 43 K CA 0.941 57.265 56.287 0.063 0.000 0.954 43 K CB -0.008 32.526 32.500 0.056 0.000 0.774 43 K HN 0.747 nan 8.250 nan 0.000 0.480 44 E N 1.080 121.315 120.200 0.059 0.000 2.051 44 E HA -0.156 4.193 4.350 -0.001 0.000 0.189 44 E C 1.222 177.877 176.600 0.092 0.000 0.979 44 E CA 0.960 57.398 56.400 0.062 0.000 0.803 44 E CB 0.273 29.996 29.700 0.037 0.000 0.761 44 E HN 0.219 nan 8.360 nan 0.000 0.451 45 D N 0.930 121.382 120.400 0.087 0.000 2.104 45 D HA -0.180 4.460 4.640 -0.001 0.000 0.194 45 D C 1.992 178.356 176.300 0.107 0.000 0.994 45 D CA 0.778 54.848 54.000 0.117 0.000 0.830 45 D CB -0.101 40.750 40.800 0.085 0.000 0.959 45 D HN 0.238 nan 8.370 nan 0.000 0.452 46 I N 1.770 122.382 120.570 0.070 0.000 2.226 46 I HA -0.210 3.960 4.170 -0.001 0.000 0.245 46 I C 1.712 177.852 176.117 0.040 0.000 1.100 46 I CA 1.302 62.623 61.300 0.035 0.000 1.374 46 I CB -0.767 37.264 38.000 0.051 0.000 1.057 46 I HN -0.083 nan 8.210 nan 0.000 0.413 47 D N -0.398 120.077 120.400 0.126 0.000 2.117 47 D HA -0.253 4.387 4.640 -0.001 0.000 0.197 47 D C 2.078 178.466 176.300 0.146 0.000 0.987 47 D CA 1.167 55.281 54.000 0.191 0.000 0.829 47 D CB -0.490 40.426 40.800 0.194 0.000 0.961 47 D HN 0.440 nan 8.370 nan 0.000 0.460 48 Y N 1.264 121.561 120.300 -0.006 0.000 2.145 48 Y HA -0.252 4.297 4.550 -0.001 0.000 0.286 48 Y C 2.361 178.215 175.900 -0.077 0.000 1.145 48 Y CA 1.587 59.667 58.100 -0.033 0.000 1.148 48 Y CB 0.019 38.459 38.460 -0.034 0.000 0.981 48 Y HN -0.032 nan 8.280 nan 0.000 0.507 49 A N 0.773 123.463 122.820 -0.215 0.000 1.865 49 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 49 A C 2.364 179.768 177.584 -0.300 0.000 1.191 49 A CA 2.056 53.884 52.037 -0.349 0.000 0.623 49 A CB -1.568 17.288 19.000 -0.239 0.000 0.826 49 A HN 0.650 nan 8.150 nan 0.000 0.444 50 A N -0.624 122.021 122.820 -0.292 0.000 1.883 50 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 50 A C 2.133 179.549 177.584 -0.279 0.000 1.186 50 A CA 1.832 53.618 52.037 -0.418 0.000 0.624 50 A CB -0.736 17.674 19.000 -0.984 0.000 0.822 50 A HN 0.677 nan 8.150 nan 0.000 0.444 51 Q N -1.010 118.695 119.800 -0.159 0.000 2.124 51 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 51 Q C 2.185 178.145 176.000 -0.067 0.000 0.977 51 Q CA 1.870 57.650 55.803 -0.038 0.000 0.850 51 Q CB -0.482 28.295 28.738 0.065 0.000 0.901 51 Q HN 0.671 nan 8.270 nan 0.000 0.429 52 T N 0.937 115.396 114.554 -0.158 0.000 2.737 52 T HA -0.142 4.208 4.350 -0.001 0.000 0.265 52 T C 1.967 176.576 174.700 -0.150 0.000 1.038 52 T CA 1.285 63.262 62.100 -0.205 0.000 1.144 52 T CB -0.327 68.273 68.868 -0.446 0.000 0.866 52 T HN 0.416 nan 8.240 nan 0.000 0.434 53 A N 1.333 124.052 122.820 -0.169 0.000 1.933 53 A HA 0.156 4.475 4.320 -0.001 0.000 0.218 53 A C 2.594 180.174 177.584 -0.005 0.000 1.175 53 A CA 1.821 53.796 52.037 -0.104 0.000 0.628 53 A CB -0.994 17.921 19.000 -0.142 0.000 0.814 53 A HN 0.507 nan 8.150 nan 0.000 0.444 54 A N -0.423 122.384 122.820 -0.022 0.000 1.930 54 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 54 A C 1.968 179.633 177.584 0.136 0.000 1.175 54 A CA 2.028 54.100 52.037 0.058 0.000 0.627 54 A CB -0.393 18.615 19.000 0.014 0.000 0.815 54 A HN 0.518 nan 8.150 nan 0.000 0.443 55 E N 0.529 120.768 120.200 0.064 0.000 2.031 55 E HA -0.058 4.291 4.350 -0.001 0.000 0.193 55 E C 2.028 178.670 176.600 0.070 0.000 0.994 55 E CA 1.749 58.183 56.400 0.058 0.000 0.800 55 E CB -0.580 29.132 29.700 0.019 0.000 0.752 55 E HN 0.421 nan 8.360 nan 0.000 0.447 56 A N -0.113 122.741 122.820 0.055 0.000 2.019 56 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 56 A C 2.220 179.896 177.584 0.153 0.000 1.164 56 A CA 1.283 53.359 52.037 0.065 0.000 0.644 56 A CB -1.054 17.949 19.000 0.004 0.000 0.805 56 A HN 0.510 nan 8.150 nan 0.000 0.449 57 F N 0.825 120.815 119.950 0.066 0.000 2.250 57 F HA -0.177 4.350 4.527 -0.001 0.000 0.301 57 F C 2.008 177.874 175.800 0.110 0.000 1.077 57 F CA 1.914 59.986 58.000 0.121 0.000 1.348 57 F CB -0.053 38.993 39.000 0.077 0.000 1.040 57 F HN 0.144 nan 8.300 nan 0.000 0.509 58 K N -0.269 120.062 120.400 -0.115 0.000 2.097 58 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 58 K C 2.002 178.489 176.600 -0.188 0.000 1.049 58 K CA 2.025 58.191 56.287 -0.200 0.000 0.933 58 K CB -0.456 32.017 32.500 -0.044 0.000 0.717 58 K HN 0.464 nan 8.250 nan 0.000 0.442 59 T N -2.056 112.453 114.554 -0.075 0.000 2.983 59 T HA -0.090 4.260 4.350 -0.001 0.000 0.250 59 T C 1.625 176.318 174.700 -0.011 0.000 1.037 59 T CA -0.131 61.947 62.100 -0.037 0.000 1.142 59 T CB -0.559 68.322 68.868 0.022 0.000 0.876 59 T HN 0.416 nan 8.240 nan 0.000 0.455 60 W N 3.130 124.352 121.300 -0.130 0.000 2.338 60 W HA -0.222 4.438 4.660 -0.001 0.000 0.304 60 W C 2.257 178.704 176.519 -0.120 0.000 1.212 60 W CA 1.821 59.110 57.345 -0.092 0.000 1.264 60 W CB -0.279 29.163 29.460 -0.031 0.000 1.142 60 W HN 0.498 nan 8.180 nan 0.000 0.512 61 S N 0.144 115.661 115.700 -0.305 0.000 2.507 61 S HA -0.109 4.360 4.470 -0.001 0.000 0.235 61 S C 1.385 175.784 174.600 -0.334 0.000 0.988 61 S CA 0.922 58.883 58.200 -0.397 0.000 0.944 61 S CB -0.356 62.431 63.200 -0.689 0.000 0.762 61 S HN 0.295 nan 8.310 nan 0.000 0.526 62 K N 0.817 121.038 120.400 -0.297 0.000 2.374 62 K HA 0.255 4.575 4.320 -0.001 0.000 0.196 62 K C -0.555 175.911 176.600 -0.223 0.000 1.023 62 K CA -0.032 56.127 56.287 -0.212 0.000 1.103 62 K CB 0.586 32.993 32.500 -0.155 0.000 0.848 62 K HN 0.235 nan 8.250 nan 0.000 0.528 63 V N 2.694 122.403 119.914 -0.340 0.000 2.389 63 V HA 0.170 4.289 4.120 -0.001 0.000 0.264 63 V C 0.393 176.270 176.094 -0.361 0.000 1.049 63 V CA -0.907 61.184 62.300 -0.348 0.000 0.932 63 V CB 0.447 31.966 31.823 -0.507 0.000 1.011 63 V HN 0.229 nan 8.190 nan 0.000 0.475 64 A N 4.552 127.239 122.820 -0.222 0.000 2.603 64 A HA 0.112 4.431 4.320 -0.001 0.000 0.235 64 A C 1.565 179.037 177.584 -0.187 0.000 1.035 64 A CA 0.771 52.702 52.037 -0.176 0.000 0.755 64 A CB 0.255 19.188 19.000 -0.112 0.000 0.954 64 A HN 1.078 nan 8.150 nan 0.000 0.511 65 V N 4.130 123.948 119.914 -0.159 0.000 2.370 65 V HA -0.168 3.951 4.120 -0.001 0.000 0.252 65 V C -0.432 175.629 176.094 -0.055 0.000 1.068 65 V CA 2.726 64.955 62.300 -0.118 0.000 1.061 65 V CB -1.070 30.705 31.823 -0.080 0.000 0.656 65 V HN 0.873 nan 8.190 nan 0.000 0.455 66 P HA -0.114 nan 4.420 nan 0.000 0.217 66 P C 1.737 179.043 177.300 0.009 0.000 1.150 66 P CA 1.440 64.537 63.100 -0.005 0.000 0.832 66 P CB -0.142 31.547 31.700 -0.019 0.000 0.787 67 R N -0.581 119.902 120.500 -0.028 0.000 2.090 67 R HA 0.033 4.373 4.340 -0.001 0.000 0.228 67 R C 2.363 178.680 176.300 0.028 0.000 1.110 67 R CA 0.990 57.085 56.100 -0.009 0.000 0.973 67 R CB -0.333 29.938 30.300 -0.048 0.000 0.869 67 R HN 0.241 nan 8.270 nan 0.000 0.440 68 R N 0.416 120.887 120.500 -0.047 0.000 2.075 68 R HA -0.029 4.310 4.340 -0.001 0.000 0.232 68 R C 2.310 178.732 176.300 0.203 0.000 1.126 68 R CA 1.308 57.429 56.100 0.037 0.000 0.963 68 R CB -0.370 29.829 30.300 -0.169 0.000 0.858 68 R HN 0.149 nan 8.270 nan 0.000 0.435 69 A N 1.244 124.161 122.820 0.161 0.000 1.972 69 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 69 A C 2.143 179.970 177.584 0.405 0.000 1.169 69 A CA 1.345 53.528 52.037 0.244 0.000 0.635 69 A CB -0.426 18.715 19.000 0.234 0.000 0.810 69 A HN 0.188 nan 8.150 nan 0.000 0.446 70 R N -0.310 120.380 120.500 0.317 0.000 2.105 70 R HA -0.085 4.255 4.340 -0.001 0.000 0.239 70 R C 1.838 178.350 176.300 0.352 0.000 1.135 70 R CA 1.751 58.037 56.100 0.310 0.000 0.967 70 R CB -0.419 29.965 30.300 0.140 0.000 0.861 70 R HN 0.623 nan 8.270 nan 0.000 0.442 71 I N 0.241 121.003 120.570 0.320 0.000 2.394 71 I HA -0.264 3.905 4.170 -0.001 0.000 0.251 71 I C 1.767 178.133 176.117 0.415 0.000 1.136 71 I CA 0.637 62.142 61.300 0.342 0.000 1.425 71 I CB -0.216 37.983 38.000 0.332 0.000 1.079 71 I HN 0.210 nan 8.210 nan 0.000 0.425 72 L N -0.115 121.333 121.223 0.376 0.000 2.093 72 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 72 L C 2.539 179.507 176.870 0.163 0.000 1.085 72 L CA 2.055 57.056 54.840 0.268 0.000 0.755 72 L CB -1.135 40.992 42.059 0.114 0.000 0.904 72 L HN 0.187 nan 8.230 nan 0.000 0.435 73 F N 0.774 120.821 119.950 0.161 0.000 2.102 73 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 73 F C 2.403 178.281 175.800 0.130 0.000 1.105 73 F CA 1.647 59.716 58.000 0.114 0.000 1.239 73 F CB -0.609 38.444 39.000 0.088 0.000 0.991 73 F HN 0.277 nan 8.300 nan 0.000 0.474 74 N N -0.525 118.390 118.700 0.358 0.000 2.120 74 N HA -0.239 4.500 4.740 -0.001 0.000 0.188 74 N C 1.977 177.662 175.510 0.293 0.000 1.024 74 N CA 1.205 54.426 53.050 0.285 0.000 0.852 74 N CB -0.473 38.178 38.487 0.273 0.000 1.003 74 N HN 0.220 nan 8.380 nan 0.000 0.424 75 F N 2.219 122.238 119.950 0.115 0.000 2.095 75 F HA -0.259 4.268 4.527 -0.001 0.000 0.298 75 F C 2.941 178.712 175.800 -0.048 0.000 1.104 75 F CA 1.055 59.051 58.000 -0.006 0.000 1.232 75 F CB 0.006 38.868 39.000 -0.230 0.000 0.987 75 F HN 0.056 nan 8.300 nan 0.000 0.475 76 Q N 0.568 120.322 119.800 -0.078 0.000 2.112 76 Q HA -0.303 4.037 4.340 -0.001 0.000 0.206 76 Q C 2.047 177.985 176.000 -0.104 0.000 0.987 76 Q CA 2.130 57.819 55.803 -0.191 0.000 0.858 76 Q CB -0.339 28.316 28.738 -0.138 0.000 0.905 76 Q HN 0.496 nan 8.270 nan 0.000 0.420 77 Q N -0.518 119.291 119.800 0.015 0.000 2.049 77 Q HA -0.055 4.285 4.340 -0.001 0.000 0.198 77 Q C 2.051 178.081 176.000 0.050 0.000 0.971 77 Q CA 0.816 56.646 55.803 0.046 0.000 0.833 77 Q CB -0.189 28.609 28.738 0.100 0.000 0.896 77 Q HN 0.276 nan 8.270 nan 0.000 0.434 78 L N -0.045 121.233 121.223 0.092 0.000 2.012 78 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 78 L C 2.076 179.041 176.870 0.159 0.000 1.073 78 L CA 1.397 56.343 54.840 0.177 0.000 0.748 78 L CB -1.509 40.685 42.059 0.225 0.000 0.891 78 L HN 0.317 nan 8.230 nan 0.000 0.431 79 L N -0.486 120.693 121.223 -0.073 0.000 1.990 79 L HA -0.213 4.126 4.340 -0.001 0.000 0.213 79 L C 2.675 179.530 176.870 -0.026 0.000 1.072 79 L CA 1.659 56.417 54.840 -0.135 0.000 0.755 79 L CB -1.465 40.351 42.059 -0.405 0.000 0.889 79 L HN 0.240 nan 8.230 nan 0.000 0.432 80 S N -1.036 114.635 115.700 -0.047 0.000 2.400 80 S HA -0.233 4.236 4.470 -0.001 0.000 0.232 80 S C 1.768 176.356 174.600 -0.020 0.000 1.025 80 S CA 1.028 59.211 58.200 -0.027 0.000 0.993 80 S CB -0.259 62.926 63.200 -0.024 0.000 0.808 80 S HN 0.540 nan 8.310 nan 0.000 0.478 81 Q N -0.297 119.490 119.800 -0.021 0.000 2.472 81 Q HA 0.033 4.372 4.340 -0.001 0.000 0.208 81 Q C 0.453 176.259 176.000 -0.323 0.000 0.958 81 Q CA 0.646 56.362 55.803 -0.145 0.000 0.932 81 Q CB 0.117 28.755 28.738 -0.166 0.000 1.007 81 Q HN 0.646 nan 8.270 nan 0.000 0.508 82 H N -1.099 117.971 119.070 -0.000 0.000 2.567 82 H HA 0.198 4.754 4.556 -0.001 0.000 0.267 82 H C 0.757 176.090 175.328 0.009 0.000 1.148 82 H CA -0.120 55.934 56.048 0.011 0.000 1.031 82 H CB 0.664 30.440 29.762 0.022 0.000 1.691 82 H HN 0.132 nan 8.280 nan 0.000 0.588 83 K N 0.840 121.278 120.400 0.063 0.000 2.074 83 K HA -0.184 4.136 4.320 -0.001 0.000 0.209 83 K C 1.970 178.606 176.600 0.060 0.000 1.048 83 K CA 1.196 57.510 56.287 0.046 0.000 0.926 83 K CB 0.380 32.890 32.500 0.017 0.000 0.713 83 K HN 0.202 nan 8.250 nan 0.000 0.444 84 E N 1.492 121.723 120.200 0.052 0.000 2.051 84 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 84 E C 1.811 178.472 176.600 0.100 0.000 0.991 84 E CA 1.462 57.898 56.400 0.060 0.000 0.799 84 E CB 0.132 29.849 29.700 0.030 0.000 0.748 84 E HN 0.340 nan 8.360 nan 0.000 0.449 85 E N 0.305 120.572 120.200 0.113 0.000 2.051 85 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 85 E C 2.446 179.140 176.600 0.157 0.000 0.991 85 E CA 1.002 57.486 56.400 0.140 0.000 0.799 85 E CB -0.114 29.686 29.700 0.167 0.000 0.748 85 E HN 0.238 nan 8.360 nan 0.000 0.449 86 L N 0.574 121.874 121.223 0.128 0.000 2.012 86 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 86 L C 2.608 179.532 176.870 0.090 0.000 1.073 86 L CA 1.106 56.006 54.840 0.100 0.000 0.748 86 L CB -0.506 41.598 42.059 0.075 0.000 0.891 86 L HN 0.158 nan 8.230 nan 0.000 0.431 87 A N -0.765 122.107 122.820 0.088 0.000 1.933 87 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 87 A C 2.086 179.714 177.584 0.073 0.000 1.175 87 A CA 1.885 53.962 52.037 0.068 0.000 0.628 87 A CB -0.813 18.224 19.000 0.061 0.000 0.814 87 A HN 0.527 nan 8.150 nan 0.000 0.444 88 H N -0.651 118.436 119.070 0.029 0.000 2.321 88 H HA -0.076 4.480 4.556 -0.001 0.000 0.300 88 H C 1.675 177.018 175.328 0.025 0.000 1.087 88 H CA 1.897 57.960 56.048 0.025 0.000 1.319 88 H CB -0.157 29.622 29.762 0.028 0.000 1.379 88 H HN 0.296 nan 8.280 nan 0.000 0.501 89 L N 0.253 121.507 121.223 0.052 0.000 2.046 89 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 89 L C 2.504 179.356 176.870 -0.030 0.000 1.077 89 L CA 1.381 56.225 54.840 0.006 0.000 0.747 89 L CB -0.775 41.327 42.059 0.073 0.000 0.896 89 L HN 0.426 nan 8.230 nan 0.000 0.432 90 I N -1.251 119.316 120.570 -0.005 0.000 2.163 90 I HA -0.356 3.814 4.170 -0.001 0.000 0.243 90 I C 2.305 178.397 176.117 -0.042 0.000 1.085 90 I CA 1.707 63.004 61.300 -0.007 0.000 1.347 90 I CB -0.694 37.311 38.000 0.008 0.000 1.044 90 I HN 0.273 nan 8.210 nan 0.000 0.408 91 T N 1.390 115.900 114.554 -0.074 0.000 2.652 91 T HA -0.132 4.218 4.350 -0.001 0.000 0.267 91 T C 1.982 176.614 174.700 -0.114 0.000 1.039 91 T CA 1.246 63.291 62.100 -0.091 0.000 1.153 91 T CB -0.155 68.650 68.868 -0.106 0.000 0.863 91 T HN 0.106 nan 8.240 nan 0.000 0.428 92 I N 2.051 122.506 120.570 -0.191 0.000 2.151 92 I HA -0.179 3.991 4.170 -0.001 0.000 0.243 92 I C 2.574 178.638 176.117 -0.088 0.000 1.080 92 I CA 1.750 62.947 61.300 -0.172 0.000 1.339 92 I CB -1.173 36.687 38.000 -0.235 0.000 1.039 92 I HN 0.592 nan 8.210 nan 0.000 0.409 93 E N -0.295 119.872 120.200 -0.055 0.000 2.364 93 E HA -0.094 4.256 4.350 -0.001 0.000 0.196 93 E C 1.830 178.439 176.600 0.015 0.000 0.990 93 E CA 0.376 56.766 56.400 -0.015 0.000 0.886 93 E CB -0.249 29.454 29.700 0.007 0.000 0.866 93 E HN 0.461 nan 8.360 nan 0.000 0.493 94 N N 0.405 119.114 118.700 0.015 0.000 2.436 94 N HA -0.003 4.737 4.740 -0.001 0.000 0.178 94 N C 1.421 176.948 175.510 0.027 0.000 1.026 94 N CA 1.757 54.843 53.050 0.060 0.000 0.880 94 N CB 1.140 39.650 38.487 0.040 0.000 1.061 94 N HN 0.320 nan 8.380 nan 0.000 0.434 95 G N 1.497 110.286 108.800 -0.019 0.000 2.612 95 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.200 95 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.200 95 G C -0.192 174.695 174.900 -0.022 0.000 1.053 95 G CA 0.212 45.295 45.100 -0.029 0.000 0.707 95 G HN 0.648 nan 8.290 nan 0.000 0.497 96 K N 2.231 122.606 120.400 -0.041 0.000 2.518 96 K HA 0.148 4.467 4.320 -0.001 0.000 0.276 96 K C 0.870 177.440 176.600 -0.050 0.000 0.974 96 K CA 0.518 56.768 56.287 -0.063 0.000 0.986 96 K CB 0.119 32.559 32.500 -0.101 0.000 0.901 96 K HN 0.778 nan 8.250 nan 0.000 0.497 97 N N 0.709 119.373 118.700 -0.059 0.000 2.260 97 N HA -0.119 4.620 4.740 -0.001 0.000 0.230 97 N C 0.908 176.398 175.510 -0.033 0.000 1.323 97 N CA -0.012 53.014 53.050 -0.040 0.000 0.897 97 N CB 0.444 38.900 38.487 -0.052 0.000 1.146 97 N HN 0.811 nan 8.380 nan 0.000 0.460 98 T N -2.511 112.036 114.554 -0.012 0.000 2.951 98 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 98 T C 1.681 176.381 174.700 0.001 0.000 1.073 98 T CA 0.987 63.089 62.100 0.004 0.000 1.134 98 T CB -0.199 68.685 68.868 0.027 0.000 0.884 98 T HN 0.654 nan 8.240 nan 0.000 0.479 99 K N 0.919 121.312 120.400 -0.012 0.000 2.002 99 K HA -0.128 4.192 4.320 -0.001 0.000 0.209 99 K C 2.420 179.011 176.600 -0.015 0.000 1.048 99 K CA 1.671 57.952 56.287 -0.011 0.000 0.930 99 K CB -0.164 32.324 32.500 -0.020 0.000 0.714 99 K HN 0.493 nan 8.250 nan 0.000 0.438 100 E N -0.075 120.101 120.200 -0.040 0.000 2.110 100 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 100 E C 1.980 178.578 176.600 -0.002 0.000 0.988 100 E CA 0.917 57.298 56.400 -0.033 0.000 0.804 100 E CB -0.087 29.566 29.700 -0.079 0.000 0.745 100 E HN 0.449 nan 8.360 nan 0.000 0.458 101 A N 1.385 124.199 122.820 -0.009 0.000 1.877 101 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 101 A C 2.112 179.711 177.584 0.024 0.000 1.186 101 A CA 1.012 53.054 52.037 0.007 0.000 0.620 101 A CB -0.480 18.521 19.000 0.000 0.000 0.822 101 A HN 0.126 nan 8.150 nan 0.000 0.443 102 L N -0.047 121.188 121.223 0.020 0.000 2.079 102 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 102 L C 2.690 179.573 176.870 0.022 0.000 1.081 102 L CA 1.959 56.813 54.840 0.023 0.000 0.752 102 L CB -1.887 40.183 42.059 0.020 0.000 0.896 102 L HN 0.443 nan 8.230 nan 0.000 0.433 103 G N -1.227 107.589 108.800 0.025 0.000 2.440 103 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.218 103 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.218 103 G C 1.583 176.509 174.900 0.044 0.000 1.154 103 G CA 0.765 45.884 45.100 0.032 0.000 0.767 103 G HN 0.472 nan 8.290 nan 0.000 0.552 104 E N 0.226 120.466 120.200 0.067 0.000 2.077 104 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 104 E C 2.819 179.438 176.600 0.032 0.000 0.989 104 E CA 1.504 57.958 56.400 0.091 0.000 0.800 104 E CB -0.124 29.670 29.700 0.156 0.000 0.746 104 E HN 0.372 nan 8.360 nan 0.000 0.452 105 V N -1.252 118.675 119.914 0.021 0.000 2.407 105 V HA -0.073 4.046 4.120 -0.001 0.000 0.248 105 V C 2.192 178.269 176.094 -0.028 0.000 1.055 105 V CA 2.043 64.340 62.300 -0.006 0.000 1.049 105 V CB -1.273 30.552 31.823 0.003 0.000 0.662 105 V HN 0.286 nan 8.190 nan 0.000 0.455 106 G N 0.512 109.304 108.800 -0.014 0.000 2.446 106 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 106 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 106 G C 1.745 176.625 174.900 -0.033 0.000 1.168 106 G CA 0.930 46.018 45.100 -0.021 0.000 0.771 106 G HN 0.481 nan 8.290 nan 0.000 0.551 107 R N 0.576 121.060 120.500 -0.027 0.000 2.096 107 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 107 R C 2.826 179.096 176.300 -0.049 0.000 1.127 107 R CA 1.198 57.276 56.100 -0.038 0.000 0.968 107 R CB -1.232 29.046 30.300 -0.036 0.000 0.861 107 R HN 0.369 nan 8.270 nan 0.000 0.440 108 G N 1.163 109.923 108.800 -0.066 0.000 2.422 108 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 108 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 108 G C 1.570 176.386 174.900 -0.139 0.000 1.140 108 G CA 0.257 45.297 45.100 -0.099 0.000 0.775 108 G HN 0.210 nan 8.290 nan 0.000 0.545 109 I N 0.320 120.811 120.570 -0.131 0.000 2.439 109 I HA -0.070 4.100 4.170 -0.001 0.000 0.251 109 I C 2.637 178.688 176.117 -0.110 0.000 1.139 109 I CA 0.768 61.970 61.300 -0.162 0.000 1.438 109 I CB -0.199 37.721 38.000 -0.133 0.000 1.085 109 I HN 0.240 nan 8.210 nan 0.000 0.427 110 E N 0.992 121.151 120.200 -0.067 0.000 2.085 110 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 110 E C 1.866 178.461 176.600 -0.009 0.000 0.994 110 E CA 1.110 57.490 56.400 -0.033 0.000 0.801 110 E CB -0.179 29.487 29.700 -0.057 0.000 0.743 110 E HN 0.486 nan 8.360 nan 0.000 0.453 111 N N 0.552 119.237 118.700 -0.025 0.000 2.104 111 N HA -0.144 4.596 4.740 -0.001 0.000 0.190 111 N C 2.021 177.529 175.510 -0.003 0.000 1.024 111 N CA 1.203 54.266 53.050 0.022 0.000 0.853 111 N CB -0.147 38.348 38.487 0.014 0.000 1.008 111 N HN 0.035 nan 8.380 nan 0.000 0.424 112 V N 1.789 121.639 119.914 -0.107 0.000 2.427 112 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 112 V C 2.048 178.063 176.094 -0.133 0.000 1.051 112 V CA 1.522 63.733 62.300 -0.148 0.000 1.048 112 V CB -0.520 31.149 31.823 -0.257 0.000 0.666 112 V HN 0.294 nan 8.190 nan 0.000 0.456 113 E N -0.337 119.802 120.200 -0.102 0.000 2.077 113 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 113 E C 2.029 178.623 176.600 -0.010 0.000 0.989 113 E CA 1.622 57.957 56.400 -0.109 0.000 0.800 113 E CB -0.277 29.403 29.700 -0.034 0.000 0.746 113 E HN 0.670 nan 8.360 nan 0.000 0.452 114 F N 1.296 121.206 119.950 -0.068 0.000 2.102 114 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 114 F C 2.274 178.054 175.800 -0.033 0.000 1.105 114 F CA 1.154 59.145 58.000 -0.015 0.000 1.239 114 F CB -0.003 39.005 39.000 0.013 0.000 0.991 114 F HN -0.009 nan 8.300 nan 0.000 0.474 115 A N 0.363 123.092 122.820 -0.152 0.000 2.019 115 A HA -0.065 4.254 4.320 -0.001 0.000 0.219 115 A C 2.155 179.625 177.584 -0.191 0.000 1.164 115 A CA 1.285 53.180 52.037 -0.237 0.000 0.644 115 A CB -1.317 17.622 19.000 -0.101 0.000 0.805 115 A HN 0.496 nan 8.150 nan 0.000 0.449 116 A N -0.722 121.967 122.820 -0.217 0.000 2.216 116 A HA 0.275 4.594 4.320 -0.001 0.000 0.214 116 A C 1.774 179.288 177.584 -0.115 0.000 1.160 116 A CA 1.177 53.044 52.037 -0.283 0.000 0.725 116 A CB -0.669 17.818 19.000 -0.855 0.000 0.784 116 A HN 0.747 nan 8.150 nan 0.000 0.472 117 G N -1.517 107.207 108.800 -0.127 0.000 3.523 117 G HA2 0.374 4.333 3.960 -0.001 0.000 0.270 117 G HA3 0.374 4.333 3.960 -0.001 0.000 0.270 117 G C 1.139 175.982 174.900 -0.095 0.000 1.134 117 G CA 0.709 45.778 45.100 -0.050 0.000 0.825 117 G HN 0.531 nan 8.290 nan 0.000 0.534 118 A N 1.972 124.731 122.820 -0.101 0.000 1.948 118 A HA -0.024 4.296 4.320 -0.001 0.000 0.220 118 A C 0.597 178.155 177.584 -0.044 0.000 1.177 118 A CA 1.727 53.712 52.037 -0.088 0.000 0.636 118 A CB -0.923 18.053 19.000 -0.040 0.000 0.815 118 A HN 0.368 nan 8.150 nan 0.000 0.449 119 P HA -0.134 nan 4.420 nan 0.000 0.214 119 P C 1.744 179.033 177.300 -0.018 0.000 1.163 119 P CA 1.957 65.050 63.100 -0.011 0.000 0.889 119 P CB -0.133 31.573 31.700 0.010 0.000 0.790 120 S N -1.234 114.457 115.700 -0.014 0.000 2.428 120 S HA -0.004 4.465 4.470 -0.001 0.000 0.230 120 S C 1.729 176.316 174.600 -0.022 0.000 1.014 120 S CA 0.786 58.977 58.200 -0.015 0.000 0.957 120 S CB -0.913 62.284 63.200 -0.005 0.000 0.784 120 S HN 0.089 nan 8.310 nan 0.000 0.499 121 L N 0.513 121.711 121.223 -0.041 0.000 2.291 121 L HA 0.067 4.407 4.340 -0.001 0.000 0.214 121 L C 2.134 178.992 176.870 -0.019 0.000 1.120 121 L CA 0.822 55.637 54.840 -0.042 0.000 0.799 121 L CB -0.371 41.616 42.059 -0.120 0.000 0.925 121 L HN 0.356 nan 8.230 nan 0.000 0.446 122 M N -1.258 118.328 119.600 -0.023 0.000 2.514 122 M HA 0.053 4.532 4.480 -0.001 0.000 0.258 122 M C 0.654 176.939 176.300 -0.024 0.000 1.119 122 M CA 0.259 55.549 55.300 -0.017 0.000 1.111 122 M CB 0.117 32.699 32.600 -0.030 0.000 1.390 122 M HN 0.149 nan 8.290 nan 0.000 0.475 123 M N 1.015 120.598 119.600 -0.029 0.000 2.255 123 M HA 0.013 4.493 4.480 -0.001 0.000 0.356 123 M C 0.794 177.060 176.300 -0.058 0.000 1.338 123 M CA 0.170 55.444 55.300 -0.043 0.000 0.962 123 M CB -0.153 32.425 32.600 -0.036 0.000 1.877 123 M HN 0.157 nan 8.290 nan 0.000 0.463 124 G N 2.242 110.976 108.800 -0.110 0.000 2.642 124 G HA2 0.422 4.382 3.960 -0.001 0.000 0.291 124 G HA3 0.422 4.382 3.960 -0.001 0.000 0.291 124 G C -1.015 173.798 174.900 -0.145 0.000 1.345 124 G CA -0.701 44.318 45.100 -0.135 0.000 1.043 124 G HN 0.643 nan 8.290 nan 0.000 0.528 125 D N 0.057 120.373 120.400 -0.141 0.000 2.175 125 D HA 0.508 5.148 4.640 -0.001 0.000 0.248 125 D C -0.105 176.110 176.300 -0.140 0.000 1.047 125 D CA 0.100 54.035 54.000 -0.109 0.000 0.883 125 D CB 1.726 42.488 40.800 -0.062 0.000 1.180 125 D HN 0.399 nan 8.370 nan 0.000 0.438 126 S N 1.211 116.851 115.700 -0.099 0.000 2.547 126 S HA 0.679 5.149 4.470 -0.001 0.000 0.281 126 S C -1.083 173.496 174.600 -0.035 0.000 1.118 126 S CA -0.892 57.260 58.200 -0.080 0.000 0.947 126 S CB 1.752 64.903 63.200 -0.082 0.000 1.053 126 S HN 0.182 nan 8.310 nan 0.000 0.482 127 L N 2.018 123.232 121.223 -0.015 0.000 2.409 127 L HA 0.739 5.079 4.340 -0.001 0.000 0.272 127 L C 0.948 177.828 176.870 0.016 0.000 0.980 127 L CA -0.498 54.341 54.840 -0.001 0.000 0.826 127 L CB 1.576 43.634 42.059 -0.002 0.000 1.268 127 L HN 1.000 nan 8.230 nan 0.000 0.407 128 A N 2.257 125.089 122.820 0.020 0.000 1.969 128 A HA 0.157 4.477 4.320 -0.001 0.000 0.218 128 A C 0.510 178.115 177.584 0.036 0.000 1.169 128 A CA 1.036 53.093 52.037 0.034 0.000 0.635 128 A CB -0.066 18.952 19.000 0.030 0.000 0.810 128 A HN 0.601 nan 8.150 nan 0.000 0.445 129 S N -1.400 114.314 115.700 0.023 0.000 2.689 129 S HA 0.416 4.886 4.470 -0.001 0.000 0.274 129 S C 0.279 174.885 174.600 0.011 0.000 1.176 129 S CA -0.255 57.957 58.200 0.020 0.000 1.014 129 S CB 1.277 64.490 63.200 0.021 0.000 1.071 129 S HN 0.504 nan 8.310 nan 0.000 0.478 130 I N -0.642 119.932 120.570 0.006 0.000 4.070 130 I HA 0.765 4.935 4.170 -0.001 0.000 0.328 130 I C 0.465 176.582 176.117 0.000 0.000 1.298 130 I CA -0.239 61.062 61.300 0.002 0.000 1.173 130 I CB 0.270 38.270 38.000 -0.000 0.000 1.051 130 I HN 0.530 nan 8.210 nan 0.000 0.409 131 A N 0.912 123.732 122.820 -0.000 0.000 2.601 131 A HA 0.523 4.843 4.320 -0.001 0.000 0.291 131 A C -0.135 177.450 177.584 0.002 0.000 1.075 131 A CA -0.089 51.947 52.037 -0.002 0.000 0.671 131 A CB 0.590 19.585 19.000 -0.008 0.000 1.277 131 A HN 0.202 nan 8.150 nan 0.000 0.417 132 T N 0.139 114.695 114.554 0.004 0.000 2.871 132 T HA 0.358 4.708 4.350 -0.001 0.000 0.296 132 T C 0.276 174.981 174.700 0.008 0.000 0.998 132 T CA 1.571 63.677 62.100 0.009 0.000 1.162 132 T CB -0.340 68.534 68.868 0.010 0.000 0.947 132 T HN 0.881 nan 8.240 nan 0.000 0.536 133 D N 1.232 121.645 120.400 0.020 0.000 3.028 133 D HA -0.138 4.502 4.640 -0.001 0.000 0.207 133 D C -0.297 176.004 176.300 0.003 0.000 1.100 133 D CA 1.065 55.081 54.000 0.027 0.000 0.995 133 D CB -1.482 39.332 40.800 0.023 0.000 1.108 133 D HN 0.548 nan 8.370 nan 0.000 0.421 134 V N 1.022 120.930 119.914 -0.010 0.000 2.495 134 V HA 0.501 4.621 4.120 -0.001 0.000 0.298 134 V C 0.422 176.509 176.094 -0.012 0.000 1.031 134 V CA -0.673 61.602 62.300 -0.042 0.000 0.871 134 V CB 2.189 33.985 31.823 -0.045 0.000 0.988 134 V HN 0.134 nan 8.190 nan 0.000 0.432 135 E N 3.811 124.002 120.200 -0.014 0.000 2.312 135 E HA 0.899 5.249 4.350 -0.001 0.000 0.267 135 E C -1.029 175.584 176.600 0.021 0.000 0.894 135 E CA -1.118 55.298 56.400 0.028 0.000 0.773 135 E CB 2.783 32.534 29.700 0.085 0.000 1.241 135 E HN 0.749 nan 8.360 nan 0.000 0.432 136 A N 0.970 123.807 122.820 0.029 0.000 2.520 136 A HA 0.828 5.147 4.320 -0.001 0.000 0.298 136 A C -1.420 176.175 177.584 0.017 0.000 1.051 136 A CA -0.151 51.904 52.037 0.030 0.000 0.690 136 A CB 1.880 20.888 19.000 0.014 0.000 1.281 136 A HN 0.955 nan 8.150 nan 0.000 0.402 137 A N 2.040 124.875 122.820 0.024 0.000 2.604 137 A HA 0.794 5.113 4.320 -0.001 0.000 0.295 137 A C -1.189 176.329 177.584 -0.110 0.000 1.067 137 A CA -0.563 51.420 52.037 -0.090 0.000 0.683 137 A CB 1.292 20.200 19.000 -0.154 0.000 1.281 137 A HN 1.587 nan 8.150 nan 0.000 0.407 138 N N -0.294 118.255 118.700 -0.251 0.000 2.362 138 N HA 0.788 5.528 4.740 -0.001 0.000 0.299 138 N C -1.490 173.805 175.510 -0.360 0.000 1.170 138 N CA -0.392 52.596 53.050 -0.104 0.000 0.825 138 N CB 0.961 39.454 38.487 0.010 0.000 1.299 138 N HN 0.484 nan 8.380 nan 0.000 0.502 139 Y N -1.265 119.097 120.300 0.103 0.000 2.581 139 Y HA 0.529 5.078 4.550 -0.001 0.000 0.345 139 Y C 0.210 176.152 175.900 0.069 0.000 1.036 139 Y CA -0.936 57.188 58.100 0.040 0.000 1.042 139 Y CB 1.854 40.321 38.460 0.011 0.000 1.289 139 Y HN 0.241 nan 8.280 nan 0.000 0.471 140 R N 0.992 121.532 120.500 0.067 0.000 2.604 140 R HA 0.642 4.982 4.340 -0.001 0.000 0.287 140 R C -1.741 174.489 176.300 -0.117 0.000 0.970 140 R CA -0.936 55.211 56.100 0.078 0.000 0.946 140 R CB 1.415 31.745 30.300 0.050 0.000 1.127 140 R HN 0.649 nan 8.270 nan 0.000 0.473 141 Y N 0.939 121.306 120.300 0.111 0.000 2.562 141 Y HA 0.356 4.906 4.550 -0.001 0.000 0.345 141 Y C -2.113 173.869 175.900 0.136 0.000 1.045 141 Y CA -2.561 55.605 58.100 0.110 0.000 1.028 141 Y CB 1.812 40.333 38.460 0.102 0.000 1.297 141 Y HN 0.461 nan 8.280 nan 0.000 0.463 142 P HA 0.186 nan 4.420 nan 0.000 0.273 142 P C 0.481 177.938 177.300 0.261 0.000 1.250 142 P CA 0.041 63.326 63.100 0.309 0.000 0.793 142 P CB 1.327 33.288 31.700 0.435 0.000 1.011 143 I N -3.715 116.911 120.570 0.093 0.000 3.708 143 I HA 0.388 4.557 4.170 -0.001 0.000 0.302 143 I C 1.026 176.949 176.117 -0.324 0.000 1.255 143 I CA 0.262 61.537 61.300 -0.041 0.000 1.362 143 I CB -0.073 37.897 38.000 -0.051 0.000 1.100 143 I HN 0.524 nan 8.210 nan 0.000 0.434 144 G N 1.407 109.812 108.800 -0.658 0.000 2.249 144 G HA2 0.003 3.963 3.960 -0.001 0.000 0.089 144 G HA3 0.003 3.963 3.960 -0.001 0.000 0.089 144 G C -1.005 173.483 174.900 -0.686 0.000 1.206 144 G CA -0.180 44.136 45.100 -1.306 0.000 1.190 144 G HN -0.026 nan 8.290 nan 0.000 0.454 145 V N 1.373 121.034 119.914 -0.421 0.000 2.432 145 V HA 0.586 4.706 4.120 -0.001 0.000 0.275 145 V C 0.423 176.395 176.094 -0.203 0.000 1.043 145 V CA -0.495 61.661 62.300 -0.239 0.000 0.925 145 V CB 1.077 32.772 31.823 -0.213 0.000 0.985 145 V HN 0.694 nan 8.190 nan 0.000 0.466 146 V N 3.661 123.452 119.914 -0.205 0.000 2.547 146 V HA 0.756 4.876 4.120 -0.001 0.000 0.299 146 V C 0.700 176.454 176.094 -0.566 0.000 1.040 146 V CA -0.407 61.753 62.300 -0.233 0.000 0.913 146 V CB 1.837 33.607 31.823 -0.088 0.000 0.992 146 V HN 0.947 nan 8.190 nan 0.000 0.449 147 G N 1.741 110.335 108.800 -0.344 0.000 2.372 147 G HA2 0.631 4.591 3.960 -0.001 0.000 0.323 147 G HA3 0.631 4.591 3.960 -0.001 0.000 0.323 147 G C -0.232 174.557 174.900 -0.186 0.000 1.152 147 G CA -0.430 44.456 45.100 -0.358 0.000 0.906 147 G HN 1.083 nan 8.290 nan 0.000 0.460 148 G N 0.708 109.402 108.800 -0.176 0.000 2.544 148 G HA2 0.577 4.537 3.960 -0.001 0.000 0.313 148 G HA3 0.577 4.537 3.960 -0.001 0.000 0.313 148 G C -0.739 174.333 174.900 0.286 0.000 1.316 148 G CA -0.585 44.714 45.100 0.332 0.000 0.944 148 G HN 0.642 nan 8.290 nan 0.000 0.489 149 I N 2.110 122.844 120.570 0.272 0.000 2.411 149 I HA 0.531 4.701 4.170 -0.001 0.000 0.284 149 I C 0.401 176.545 176.117 0.044 0.000 1.012 149 I CA -0.687 60.741 61.300 0.213 0.000 1.119 149 I CB 1.920 40.153 38.000 0.388 0.000 1.261 149 I HN 0.558 nan 8.210 nan 0.000 0.448 150 A N 8.786 131.639 122.820 0.055 0.000 2.311 150 A HA 0.953 5.273 4.320 -0.001 0.000 0.334 150 A C -2.592 174.967 177.584 -0.042 0.000 1.139 150 A CA -1.516 50.500 52.037 -0.034 0.000 0.830 150 A CB 1.111 20.128 19.000 0.030 0.000 1.234 150 A HN 0.432 nan 8.150 nan 0.000 0.483 151 P HA 0.354 nan 4.420 nan 0.000 0.297 151 P C 0.142 177.451 177.300 0.016 0.000 1.307 151 P CA -0.346 62.722 63.100 -0.054 0.000 0.773 151 P CB 0.556 32.157 31.700 -0.164 0.000 1.265 152 F N -0.040 119.924 119.950 0.022 0.000 2.619 152 F HA 0.120 4.646 4.527 -0.001 0.000 0.293 152 F C 1.606 177.399 175.800 -0.012 0.000 1.119 152 F CA 0.361 58.377 58.000 0.026 0.000 1.445 152 F CB -1.410 37.614 39.000 0.040 0.000 1.119 152 F HN 0.071 nan 8.300 nan 0.000 0.573 153 N N 0.656 118.679 118.700 -1.128 0.000 2.453 153 N HA -0.151 4.589 4.740 -0.001 0.000 0.183 153 N C -0.352 174.641 175.510 -0.862 0.000 1.041 153 N CA 0.784 53.232 53.050 -1.004 0.000 0.900 153 N CB -0.617 37.343 38.487 -0.879 0.000 0.961 153 N HN 0.428 nan 8.380 nan 0.000 0.443 154 F N 0.661 120.454 119.950 -0.262 0.000 2.872 154 F HA 0.374 4.901 4.527 -0.001 0.000 0.365 154 F C -1.701 174.000 175.800 -0.164 0.000 1.296 154 F CA -1.871 55.998 58.000 -0.217 0.000 1.199 154 F CB 1.943 40.748 39.000 -0.325 0.000 1.687 154 F HN -0.183 nan 8.300 nan 0.000 0.604 155 P HA -0.230 nan 4.420 nan 0.000 0.218 155 P C 1.403 178.754 177.300 0.085 0.000 1.146 155 P CA 1.646 64.790 63.100 0.074 0.000 0.813 155 P CB 0.489 32.237 31.700 0.080 0.000 0.778 156 M N -2.458 117.184 119.600 0.070 0.000 2.738 156 M HA 0.122 4.602 4.480 -0.001 0.000 0.256 156 M C 2.415 178.695 176.300 -0.035 0.000 1.253 156 M CA 0.544 55.878 55.300 0.056 0.000 1.223 156 M CB -0.259 32.372 32.600 0.052 0.000 1.263 156 M HN -0.292 nan 8.290 nan 0.000 0.521 157 M N 0.455 119.999 119.600 -0.093 0.000 2.084 157 M HA -0.207 4.273 4.480 -0.001 0.000 0.259 157 M C 1.841 177.757 176.300 -0.641 0.000 1.072 157 M CA 2.159 57.280 55.300 -0.297 0.000 1.107 157 M CB -0.293 32.080 32.600 -0.378 0.000 1.299 157 M HN 0.267 nan 8.290 nan 0.000 0.413 158 V N 1.072 120.460 119.914 -0.876 0.000 2.282 158 V HA -0.234 3.886 4.120 -0.001 0.000 0.249 158 V C -0.661 175.117 176.094 -0.526 0.000 1.057 158 V CA 2.300 63.849 62.300 -1.252 0.000 1.032 158 V CB -2.232 29.044 31.823 -0.913 0.000 0.645 158 V HN 0.387 nan 8.190 nan 0.000 0.447 159 P HA -0.122 nan 4.420 nan 0.000 0.216 159 P C 1.684 178.936 177.300 -0.080 0.000 1.150 159 P CA 1.539 64.693 63.100 0.089 0.000 0.837 159 P CB -0.205 31.674 31.700 0.300 0.000 0.786 160 C N -2.852 116.311 119.300 -0.227 0.000 2.449 160 C HA -0.034 4.425 4.460 -0.001 0.000 0.283 160 C C 2.057 176.941 174.990 -0.176 0.000 1.453 160 C CA 0.077 58.844 59.018 -0.417 0.000 1.779 160 C CB -2.068 25.514 27.740 -0.263 0.000 1.779 160 C HN 0.348 nan 8.230 nan 0.000 0.546 161 W N 0.318 121.486 121.300 -0.220 0.000 2.584 161 W HA 0.133 4.792 4.660 -0.001 0.000 0.264 161 W C 2.058 178.564 176.519 -0.022 0.000 1.264 161 W CA 0.508 57.776 57.345 -0.127 0.000 1.306 161 W CB -0.902 28.482 29.460 -0.128 0.000 1.110 161 W HN 0.396 nan 8.180 nan 0.000 0.606 162 M N -1.337 118.354 119.600 0.153 0.000 2.731 162 M HA 0.058 4.537 4.480 -0.001 0.000 0.231 162 M C 2.119 178.268 176.300 -0.253 0.000 1.295 162 M CA 1.061 56.470 55.300 0.182 0.000 1.283 162 M CB -1.305 31.515 32.600 0.367 0.000 1.146 162 M HN -0.145 nan 8.290 nan 0.000 0.523 163 F N 0.867 120.361 119.950 -0.761 0.000 2.171 163 F HA 0.071 4.597 4.527 -0.001 0.000 0.300 163 F C -0.995 174.541 175.800 -0.441 0.000 1.090 163 F CA 0.609 57.971 58.000 -1.064 0.000 1.293 163 F CB -2.903 35.303 39.000 -1.322 0.000 1.013 163 F HN 0.023 nan 8.300 nan 0.000 0.486 164 P HA -0.228 nan 4.420 nan 0.000 0.214 164 P C 1.979 179.217 177.300 -0.103 0.000 1.163 164 P CA 1.979 64.848 63.100 -0.385 0.000 0.883 164 P CB -0.158 31.258 31.700 -0.475 0.000 0.788 165 M N -0.250 119.308 119.600 -0.071 0.000 2.117 165 M HA -0.059 4.420 4.480 -0.001 0.000 0.262 165 M C 1.924 178.273 176.300 0.082 0.000 1.065 165 M CA 1.864 57.202 55.300 0.062 0.000 1.114 165 M CB -1.427 31.297 32.600 0.206 0.000 1.361 165 M HN -0.151 nan 8.290 nan 0.000 0.408 166 A N 0.567 123.328 122.820 -0.099 0.000 1.877 166 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 166 A C 2.088 179.710 177.584 0.063 0.000 1.186 166 A CA 1.851 53.723 52.037 -0.275 0.000 0.620 166 A CB -0.995 17.676 19.000 -0.549 0.000 0.822 166 A HN 0.545 nan 8.150 nan 0.000 0.443 167 I N 0.093 120.733 120.570 0.116 0.000 2.127 167 I HA -0.285 3.884 4.170 -0.001 0.000 0.241 167 I C 2.990 179.388 176.117 0.467 0.000 1.075 167 I CA 1.670 63.135 61.300 0.275 0.000 1.334 167 I CB -1.680 36.407 38.000 0.145 0.000 1.040 167 I HN 0.374 nan 8.210 nan 0.000 0.405 168 A N 0.725 123.726 122.820 0.302 0.000 1.978 168 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 168 A C 2.291 179.971 177.584 0.161 0.000 1.170 168 A CA 1.357 53.541 52.037 0.245 0.000 0.636 168 A CB -0.870 18.209 19.000 0.130 0.000 0.810 168 A HN 0.478 nan 8.150 nan 0.000 0.448 169 L N -1.807 119.514 121.223 0.164 0.000 2.610 169 L HA 0.162 4.501 4.340 -0.001 0.000 0.232 169 L C 1.778 178.733 176.870 0.141 0.000 1.149 169 L CA 0.603 55.521 54.840 0.130 0.000 0.872 169 L CB -0.129 42.032 42.059 0.170 0.000 0.992 169 L HN 0.618 nan 8.230 nan 0.000 0.447 170 G N -0.769 108.156 108.800 0.210 0.000 2.231 170 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.206 170 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.206 170 G C 0.084 175.299 174.900 0.524 0.000 0.996 170 G CA -0.178 45.032 45.100 0.185 0.000 0.645 170 G HN 0.434 nan 8.290 nan 0.000 0.498 171 N N 0.965 119.950 118.700 0.475 0.000 2.347 171 N HA 0.571 5.310 4.740 -0.001 0.000 0.253 171 N C 0.418 176.193 175.510 0.442 0.000 1.274 171 N CA 0.637 53.941 53.050 0.423 0.000 0.941 171 N CB 0.657 39.240 38.487 0.161 0.000 1.200 171 N HN 0.415 nan 8.380 nan 0.000 0.514 172 T N -2.469 112.255 114.554 0.283 0.000 2.940 172 T HA 0.614 4.963 4.350 -0.001 0.000 0.288 172 T C -0.962 173.834 174.700 0.161 0.000 1.033 172 T CA -0.680 61.521 62.100 0.168 0.000 1.033 172 T CB 0.785 69.731 68.868 0.131 0.000 1.079 172 T HN 0.301 nan 8.240 nan 0.000 0.496 173 F N 0.406 120.356 119.950 0.001 0.000 2.563 173 F HA 0.728 5.254 4.527 -0.001 0.000 0.316 173 F C -1.203 174.607 175.800 0.017 0.000 1.076 173 F CA -1.471 56.562 58.000 0.054 0.000 0.921 173 F CB 1.706 40.816 39.000 0.184 0.000 1.209 173 F HN 0.529 nan 8.300 nan 0.000 0.462 174 I N 6.366 126.756 120.570 -0.300 0.000 2.439 174 I HA 0.293 4.462 4.170 -0.001 0.000 0.283 174 I C -1.529 174.502 176.117 -0.142 0.000 1.023 174 I CA -0.849 60.344 61.300 -0.180 0.000 1.100 174 I CB 1.742 39.601 38.000 -0.235 0.000 1.238 174 I HN 0.315 nan 8.210 nan 0.000 0.445 175 L N 7.571 128.883 121.223 0.150 0.000 2.317 175 L HA 0.468 4.807 4.340 -0.001 0.000 0.281 175 L C -0.339 176.565 176.870 0.057 0.000 1.024 175 L CA -0.099 54.920 54.840 0.299 0.000 0.810 175 L CB 1.221 43.565 42.059 0.476 0.000 1.240 175 L HN 0.447 nan 8.230 nan 0.000 0.427 176 K N 7.412 127.878 120.400 0.110 0.000 2.499 176 K HA 0.429 4.749 4.320 -0.001 0.000 0.215 176 K C -2.550 174.126 176.600 0.126 0.000 1.041 176 K CA -1.833 54.498 56.287 0.073 0.000 1.031 176 K CB 0.855 33.420 32.500 0.108 0.000 1.479 176 K HN 0.478 nan 8.250 nan 0.000 0.518 177 P HA -0.052 nan 4.420 nan 0.000 0.274 177 P C -0.210 177.223 177.300 0.221 0.000 1.264 177 P CA -0.311 62.899 63.100 0.184 0.000 0.795 177 P CB 0.626 32.464 31.700 0.229 0.000 1.064 178 S N 0.266 116.091 115.700 0.208 0.000 2.531 178 S HA 0.013 4.482 4.470 -0.001 0.000 0.279 178 S C 1.500 176.223 174.600 0.205 0.000 1.305 178 S CA -0.525 57.797 58.200 0.203 0.000 1.058 178 S CB -0.186 63.143 63.200 0.215 0.000 0.899 178 S HN 0.448 nan 8.310 nan 0.000 0.493 179 E N 5.666 125.969 120.200 0.172 0.000 2.409 179 E HA -0.149 4.200 4.350 -0.001 0.000 0.198 179 E C 1.184 177.826 176.600 0.070 0.000 1.024 179 E CA 0.896 57.367 56.400 0.118 0.000 0.861 179 E CB -0.117 29.635 29.700 0.086 0.000 0.788 179 E HN 0.712 nan 8.360 nan 0.000 0.521 180 R N 0.538 121.093 120.500 0.092 0.000 2.223 180 R HA 0.049 4.389 4.340 -0.001 0.000 0.198 180 R C 0.658 177.005 176.300 0.078 0.000 0.984 180 R CA 1.343 57.477 56.100 0.056 0.000 1.018 180 R CB 0.329 30.639 30.300 0.017 0.000 0.945 180 R HN 0.264 nan 8.270 nan 0.000 0.479 181 T N -1.856 112.773 114.554 0.125 0.000 3.428 181 T HA 0.258 4.607 4.350 -0.001 0.000 0.301 181 T C -2.325 172.457 174.700 0.137 0.000 1.323 181 T CA -1.354 60.817 62.100 0.119 0.000 1.647 181 T CB 1.712 70.671 68.868 0.151 0.000 0.871 181 T HN -0.093 nan 8.240 nan 0.000 0.627 182 P HA 0.197 nan 4.420 nan 0.000 0.252 182 P C 1.523 178.911 177.300 0.147 0.000 1.218 182 P CA -0.215 62.984 63.100 0.166 0.000 0.807 182 P CB 0.289 31.886 31.700 -0.172 0.000 1.072 183 L N 0.072 121.330 121.223 0.059 0.000 2.012 183 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 183 L C 2.562 179.501 176.870 0.115 0.000 1.073 183 L CA 1.418 56.292 54.840 0.056 0.000 0.748 183 L CB -2.001 40.072 42.059 0.024 0.000 0.891 183 L HN 0.057 nan 8.230 nan 0.000 0.431 184 L N 0.063 121.361 121.223 0.124 0.000 2.013 184 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 184 L C 2.406 179.384 176.870 0.181 0.000 1.073 184 L CA 2.092 57.013 54.840 0.135 0.000 0.753 184 L CB -1.037 41.095 42.059 0.122 0.000 0.890 184 L HN 0.294 nan 8.230 nan 0.000 0.432 185 T N -0.395 114.295 114.554 0.227 0.000 2.803 185 T HA -0.247 4.103 4.350 -0.001 0.000 0.269 185 T C 1.741 176.596 174.700 0.259 0.000 1.052 185 T CA 1.624 63.871 62.100 0.244 0.000 1.136 185 T CB -0.093 68.920 68.868 0.241 0.000 0.864 185 T HN 0.417 nan 8.240 nan 0.000 0.467 186 E N 0.402 120.784 120.200 0.304 0.000 2.085 186 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 186 E C 2.314 179.058 176.600 0.241 0.000 0.994 186 E CA 0.905 57.500 56.400 0.325 0.000 0.801 186 E CB 0.088 29.863 29.700 0.126 0.000 0.743 186 E HN 0.079 nan 8.360 nan 0.000 0.453 187 K N 0.373 120.872 120.400 0.165 0.000 2.103 187 K HA -0.066 4.254 4.320 -0.001 0.000 0.204 187 K C 2.156 178.852 176.600 0.160 0.000 1.052 187 K CA 0.658 57.017 56.287 0.121 0.000 0.945 187 K CB -0.227 32.322 32.500 0.082 0.000 0.722 187 K HN 0.243 nan 8.250 nan 0.000 0.443 188 L N 0.358 121.714 121.223 0.222 0.000 2.046 188 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 188 L C 2.375 179.447 176.870 0.337 0.000 1.077 188 L CA 0.780 55.824 54.840 0.339 0.000 0.747 188 L CB -0.555 41.748 42.059 0.406 0.000 0.896 188 L HN -0.116 nan 8.230 nan 0.000 0.432 189 V N 0.084 120.122 119.914 0.205 0.000 2.295 189 V HA -0.279 3.840 4.120 -0.001 0.000 0.246 189 V C 2.394 178.462 176.094 -0.045 0.000 1.049 189 V CA 1.884 64.156 62.300 -0.047 0.000 1.024 189 V CB -0.543 30.958 31.823 -0.538 0.000 0.648 189 V HN 0.478 nan 8.190 nan 0.000 0.447 190 E N 0.274 120.520 120.200 0.077 0.000 2.023 190 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 190 E C 2.244 178.923 176.600 0.132 0.000 1.003 190 E CA 1.593 58.057 56.400 0.106 0.000 0.809 190 E CB -0.353 29.416 29.700 0.115 0.000 0.755 190 E HN 0.477 nan 8.360 nan 0.000 0.449 191 L N 0.178 121.507 121.223 0.176 0.000 2.079 191 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 191 L C 2.475 179.591 176.870 0.411 0.000 1.081 191 L CA 1.104 56.102 54.840 0.263 0.000 0.752 191 L CB -0.392 41.826 42.059 0.265 0.000 0.896 191 L HN 0.185 nan 8.230 nan 0.000 0.433 192 F N 0.334 120.338 119.950 0.091 0.000 2.259 192 F HA -0.178 4.348 4.527 -0.000 0.000 0.298 192 F C 2.616 178.332 175.800 -0.140 0.000 1.088 192 F CA 0.630 58.440 58.000 -0.317 0.000 1.358 192 F CB 0.278 38.844 39.000 -0.723 0.000 1.040 192 F HN 0.147 nan 8.300 nan 0.000 0.505 193 E N 0.657 120.921 120.200 0.107 0.000 2.047 193 E HA -0.216 4.134 4.350 -0.001 0.000 0.191 193 E C 1.984 178.635 176.600 0.086 0.000 0.987 193 E CA 1.027 57.449 56.400 0.036 0.000 0.799 193 E CB 0.095 29.822 29.700 0.045 0.000 0.752 193 E HN 0.399 nan 8.360 nan 0.000 0.449 194 K N 0.135 120.617 120.400 0.137 0.000 2.097 194 K HA -0.082 4.238 4.320 -0.001 0.000 0.206 194 K C 2.052 178.755 176.600 0.170 0.000 1.049 194 K CA 0.903 57.277 56.287 0.144 0.000 0.933 194 K CB -0.097 32.496 32.500 0.154 0.000 0.717 194 K HN 0.055 nan 8.250 nan 0.000 0.442 195 A N 0.579 123.542 122.820 0.239 0.000 2.131 195 A HA -0.048 4.271 4.320 -0.001 0.000 0.220 195 A C 1.621 179.325 177.584 0.199 0.000 1.158 195 A CA 1.620 53.827 52.037 0.283 0.000 0.665 195 A CB -0.520 18.759 19.000 0.465 0.000 0.795 195 A HN 0.498 nan 8.150 nan 0.000 0.460 196 G N -2.732 106.139 108.800 0.119 0.000 2.192 196 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.193 196 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.193 196 G C 0.010 174.902 174.900 -0.014 0.000 0.999 196 G CA -0.014 45.129 45.100 0.071 0.000 0.659 196 G HN 0.747 nan 8.290 nan 0.000 0.503 197 L N 3.467 124.595 121.223 -0.160 0.000 2.513 197 L HA 0.474 4.813 4.340 -0.001 0.000 0.272 197 L C -0.925 175.776 176.870 -0.283 0.000 1.187 197 L CA -1.261 53.332 54.840 -0.411 0.000 0.895 197 L CB 0.075 41.583 42.059 -0.918 0.000 1.147 197 L HN 0.124 nan 8.230 nan 0.000 0.483 198 P HA 0.131 nan 4.420 nan 0.000 0.274 198 P C -1.362 175.813 177.300 -0.208 0.000 1.237 198 P CA -0.705 62.305 63.100 -0.151 0.000 0.793 198 P CB 0.416 32.097 31.700 -0.031 0.000 0.977 199 K N 0.036 120.350 120.400 -0.143 0.000 2.469 199 K HA 0.236 4.556 4.320 -0.001 0.000 0.274 199 K C 0.952 177.430 176.600 -0.202 0.000 0.983 199 K CA 0.301 56.481 56.287 -0.179 0.000 0.974 199 K CB -0.791 31.615 32.500 -0.157 0.000 0.913 199 K HN 0.734 nan 8.250 nan 0.000 0.493 200 G N 1.039 109.684 108.800 -0.259 0.000 2.184 200 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.264 200 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.264 200 G C 0.600 175.378 174.900 -0.204 0.000 0.975 200 G CA 0.273 45.228 45.100 -0.241 0.000 0.642 200 G HN 0.444 nan 8.290 nan 0.000 0.536 201 V N -0.799 118.957 119.914 -0.263 0.000 2.725 201 V HA 0.397 4.517 4.120 -0.001 0.000 0.247 201 V C 0.814 176.815 176.094 -0.155 0.000 1.058 201 V CA 1.590 63.682 62.300 -0.347 0.000 1.080 201 V CB 0.006 31.327 31.823 -0.836 0.000 0.713 201 V HN 0.465 nan 8.190 nan 0.000 0.465 202 F N 2.634 122.391 119.950 -0.322 0.000 2.532 202 F HA 0.525 5.051 4.527 -0.001 0.000 0.365 202 F C -0.374 175.359 175.800 -0.112 0.000 1.112 202 F CA -1.701 56.162 58.000 -0.228 0.000 1.082 202 F CB 0.354 39.126 39.000 -0.380 0.000 1.319 202 F HN 0.050 nan 8.300 nan 0.000 0.457 203 N N 4.497 123.048 118.700 -0.249 0.000 2.405 203 N HA 0.556 5.296 4.740 -0.001 0.000 0.299 203 N C -1.379 173.847 175.510 -0.473 0.000 1.075 203 N CA -0.525 52.303 53.050 -0.369 0.000 0.884 203 N CB 2.911 41.219 38.487 -0.297 0.000 1.194 203 N HN 0.234 nan 8.380 nan 0.000 0.491 204 V N 1.867 121.492 119.914 -0.481 0.000 2.444 204 V HA 0.328 4.448 4.120 -0.001 0.000 0.294 204 V C -0.300 175.573 176.094 -0.367 0.000 1.022 204 V CA -0.725 61.283 62.300 -0.486 0.000 0.850 204 V CB 1.875 33.317 31.823 -0.635 0.000 0.992 204 V HN 0.351 nan 8.190 nan 0.000 0.426 205 V N 5.803 125.540 119.914 -0.295 0.000 2.349 205 V HA 0.424 4.543 4.120 -0.001 0.000 0.284 205 V C -0.655 175.367 176.094 -0.120 0.000 1.014 205 V CA -0.819 61.386 62.300 -0.159 0.000 0.826 205 V CB 0.943 32.719 31.823 -0.078 0.000 1.009 205 V HN 0.726 nan 8.190 nan 0.000 0.431 206 Y N 3.034 123.367 120.300 0.054 0.000 2.336 206 Y HA 0.686 5.235 4.550 -0.001 0.000 0.331 206 Y C 1.196 177.110 175.900 0.024 0.000 1.211 206 Y CA 1.313 59.444 58.100 0.052 0.000 1.346 206 Y CB 1.520 40.014 38.460 0.057 0.000 1.271 206 Y HN 0.853 nan 8.280 nan 0.000 0.538 207 G N -0.434 108.491 108.800 0.208 0.000 2.398 207 G HA2 0.457 4.416 3.960 -0.001 0.000 0.251 207 G HA3 0.457 4.416 3.960 -0.001 0.000 0.251 207 G C -1.072 173.900 174.900 0.120 0.000 1.277 207 G CA -0.054 45.112 45.100 0.110 0.000 0.927 207 G HN 0.903 nan 8.290 nan 0.000 0.477 208 A N -2.056 120.830 122.820 0.110 0.000 2.770 208 A HA 0.684 5.003 4.320 -0.001 0.000 0.183 208 A C 1.183 178.928 177.584 0.268 0.000 1.077 208 A CA 1.009 53.151 52.037 0.176 0.000 1.468 208 A CB -0.853 18.188 19.000 0.067 0.000 2.037 208 A HN 0.817 nan 8.150 nan 0.000 0.730 209 H N 0.100 119.206 119.070 0.058 0.000 2.321 209 H HA -0.131 4.425 4.556 -0.001 0.000 0.300 209 H C 1.271 176.636 175.328 0.062 0.000 1.087 209 H CA 1.231 57.312 56.048 0.055 0.000 1.319 209 H CB 0.030 29.803 29.762 0.019 0.000 1.379 209 H HN 0.500 nan 8.280 nan 0.000 0.501 210 D N 0.592 121.098 120.400 0.176 0.000 2.116 210 D HA -0.137 4.502 4.640 -0.001 0.000 0.193 210 D C 2.361 178.725 176.300 0.106 0.000 0.998 210 D CA 0.888 54.956 54.000 0.112 0.000 0.836 210 D CB -0.441 40.399 40.800 0.067 0.000 0.951 210 D HN 0.121 nan 8.370 nan 0.000 0.449 211 V N 0.408 120.386 119.914 0.106 0.000 2.427 211 V HA -0.187 3.932 4.120 -0.001 0.000 0.248 211 V C 2.591 178.750 176.094 0.107 0.000 1.051 211 V CA 0.907 63.263 62.300 0.094 0.000 1.048 211 V CB -0.374 31.501 31.823 0.087 0.000 0.666 211 V HN 0.062 nan 8.190 nan 0.000 0.456 212 V N 0.617 120.616 119.914 0.142 0.000 2.261 212 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 212 V C 2.306 178.473 176.094 0.123 0.000 1.047 212 V CA 2.263 64.654 62.300 0.151 0.000 1.015 212 V CB -0.820 31.112 31.823 0.181 0.000 0.642 212 V HN 0.593 nan 8.190 nan 0.000 0.446 213 N N 0.564 119.340 118.700 0.126 0.000 2.223 213 N HA -0.134 4.605 4.740 -0.001 0.000 0.185 213 N C 1.868 177.424 175.510 0.077 0.000 1.016 213 N CA 1.601 54.712 53.050 0.102 0.000 0.863 213 N CB -0.370 38.183 38.487 0.110 0.000 0.983 213 N HN 0.570 nan 8.380 nan 0.000 0.429 214 G N 1.568 110.419 108.800 0.085 0.000 2.418 214 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.217 214 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.217 214 G C 1.670 176.629 174.900 0.100 0.000 1.158 214 G CA 0.259 45.416 45.100 0.094 0.000 0.771 214 G HN 0.226 nan 8.290 nan 0.000 0.545 215 I N 0.278 120.890 120.570 0.071 0.000 2.226 215 I HA -0.122 4.048 4.170 -0.001 0.000 0.245 215 I C 2.665 178.810 176.117 0.046 0.000 1.100 215 I CA 0.716 62.043 61.300 0.045 0.000 1.374 215 I CB -0.153 37.873 38.000 0.043 0.000 1.057 215 I HN 0.132 nan 8.210 nan 0.000 0.413 216 L N 0.022 121.269 121.223 0.040 0.000 2.109 216 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 216 L C 2.257 179.124 176.870 -0.005 0.000 1.086 216 L CA 1.370 56.210 54.840 0.001 0.000 0.760 216 L CB -0.382 41.656 42.059 -0.035 0.000 0.910 216 L HN 0.217 nan 8.230 nan 0.000 0.437 217 E N -1.990 118.220 120.200 0.017 0.000 2.250 217 E HA -0.045 4.304 4.350 -0.001 0.000 0.192 217 E C 0.578 177.178 176.600 0.000 0.000 0.986 217 E CA -0.109 56.289 56.400 -0.003 0.000 0.849 217 E CB 0.213 29.908 29.700 -0.008 0.000 0.797 217 E HN 0.281 nan 8.360 nan 0.000 0.482 218 H N 2.252 121.307 119.070 -0.025 0.000 2.975 218 H HA -0.001 4.554 4.556 -0.001 0.000 0.303 218 H C -1.543 173.762 175.328 -0.039 0.000 1.023 218 H CA -1.477 54.554 56.048 -0.029 0.000 1.473 218 H CB 1.168 30.912 29.762 -0.030 0.000 1.498 218 H HN 0.022 nan 8.280 nan 0.000 0.549 219 P HA -0.110 nan 4.420 nan 0.000 0.226 219 P C 1.056 178.420 177.300 0.107 0.000 1.153 219 P CA 0.734 63.864 63.100 0.050 0.000 0.777 219 P CB 0.604 32.294 31.700 -0.017 0.000 0.794 220 E N 0.144 120.518 120.200 0.290 0.000 2.285 220 E HA 0.047 4.397 4.350 -0.001 0.000 0.194 220 E C 0.875 177.449 176.600 -0.044 0.000 0.997 220 E CA 0.259 56.719 56.400 0.100 0.000 0.845 220 E CB -0.618 29.118 29.700 0.059 0.000 0.782 220 E HN 0.298 nan 8.360 nan 0.000 0.491 221 I N 1.561 122.116 120.570 -0.024 0.000 2.256 221 I HA 0.082 4.252 4.170 -0.001 0.000 0.294 221 I C 0.796 176.877 176.117 -0.059 0.000 1.127 221 I CA -0.239 61.011 61.300 -0.084 0.000 1.247 221 I CB 0.795 38.749 38.000 -0.076 0.000 1.460 221 I HN -0.203 nan 8.210 nan 0.000 0.511 222 K N 4.019 124.364 120.400 -0.092 0.000 2.439 222 K HA 0.187 4.507 4.320 -0.001 0.000 0.197 222 K C 0.330 176.888 176.600 -0.069 0.000 1.041 222 K CA 0.227 56.464 56.287 -0.083 0.000 0.970 222 K CB 0.225 32.655 32.500 -0.117 0.000 0.773 222 K HN 0.689 nan 8.250 nan 0.000 0.479 223 A N 0.152 122.948 122.820 -0.039 0.000 2.520 223 A HA 0.665 4.985 4.320 -0.001 0.000 0.298 223 A C -1.334 176.345 177.584 0.159 0.000 1.051 223 A CA -0.710 51.343 52.037 0.027 0.000 0.690 223 A CB 1.156 20.127 19.000 -0.048 0.000 1.281 223 A HN 0.074 nan 8.150 nan 0.000 0.402 224 I N 1.528 122.280 120.570 0.303 0.000 2.447 224 I HA 0.356 4.525 4.170 -0.001 0.000 0.287 224 I C -0.204 176.204 176.117 0.485 0.000 1.023 224 I CA -0.350 61.145 61.300 0.325 0.000 1.083 224 I CB 2.308 40.436 38.000 0.214 0.000 1.245 224 I HN 0.500 nan 8.210 nan 0.000 0.434 225 S N 6.325 122.316 115.700 0.486 0.000 2.438 225 S HA 0.517 4.986 4.470 -0.001 0.000 0.316 225 S C -0.822 174.037 174.600 0.431 0.000 1.084 225 S CA -0.408 58.074 58.200 0.470 0.000 1.107 225 S CB 0.765 64.311 63.200 0.577 0.000 0.981 225 S HN 0.417 nan 8.310 nan 0.000 0.466 226 F N 4.088 124.198 119.950 0.267 0.000 2.507 226 F HA 0.696 5.222 4.527 -0.001 0.000 0.325 226 F C -1.075 174.867 175.800 0.238 0.000 1.116 226 F CA -0.702 57.441 58.000 0.238 0.000 0.930 226 F CB 1.134 40.265 39.000 0.219 0.000 1.146 226 F HN 0.267 nan 8.300 nan 0.000 0.447 227 V N 6.157 125.587 119.914 -0.807 0.000 2.419 227 V HA 0.857 4.977 4.120 -0.001 0.000 0.287 227 V C -0.095 175.485 176.094 -0.856 0.000 1.017 227 V CA 0.027 62.017 62.300 -0.516 0.000 0.844 227 V CB 0.584 32.295 31.823 -0.187 0.000 1.011 227 V HN 1.147 nan 8.190 nan 0.000 0.429 228 G N 2.828 111.265 108.800 -0.606 0.000 2.500 228 G HA2 0.533 4.493 3.960 -0.001 0.000 0.299 228 G HA3 0.533 4.493 3.960 -0.001 0.000 0.299 228 G C -0.342 174.669 174.900 0.185 0.000 1.242 228 G CA 0.083 45.064 45.100 -0.197 0.000 0.859 228 G HN 0.836 nan 8.290 nan 0.000 0.481 229 S N -0.146 115.687 115.700 0.220 0.000 2.580 229 S HA 0.173 4.642 4.470 -0.001 0.000 0.266 229 S C 1.426 176.197 174.600 0.285 0.000 1.354 229 S CA 0.731 59.023 58.200 0.154 0.000 1.008 229 S CB 1.521 64.783 63.200 0.104 0.000 0.898 229 S HN 0.861 nan 8.310 nan 0.000 0.555 230 K N 1.554 122.101 120.400 0.245 0.000 2.025 230 K HA -0.043 4.277 4.320 -0.001 0.000 0.207 230 K C -0.762 176.009 176.600 0.285 0.000 1.049 230 K CA 1.285 57.776 56.287 0.340 0.000 0.933 230 K CB -1.388 31.368 32.500 0.426 0.000 0.714 230 K HN 0.577 nan 8.250 nan 0.000 0.438 231 P HA -0.149 nan 4.420 nan 0.000 0.215 231 P C 1.688 179.040 177.300 0.086 0.000 1.157 231 P CA 1.312 64.484 63.100 0.121 0.000 0.874 231 P CB -0.127 31.623 31.700 0.084 0.000 0.790 232 V N 0.415 120.375 119.914 0.077 0.000 2.358 232 V HA -0.124 3.996 4.120 -0.001 0.000 0.246 232 V C 2.936 178.893 176.094 -0.228 0.000 1.047 232 V CA 2.366 64.651 62.300 -0.025 0.000 1.035 232 V CB -2.008 29.846 31.823 0.052 0.000 0.658 232 V HN 0.174 nan 8.190 nan 0.000 0.452 233 G N -0.323 108.383 108.800 -0.156 0.000 2.421 233 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.216 233 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.216 233 G C 1.525 176.429 174.900 0.007 0.000 1.171 233 G CA 0.990 45.969 45.100 -0.203 0.000 0.775 233 G HN 0.588 nan 8.290 nan 0.000 0.543 234 E N -0.743 119.509 120.200 0.087 0.000 2.160 234 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 234 E C 1.986 178.488 176.600 -0.164 0.000 0.991 234 E CA 1.006 57.252 56.400 -0.256 0.000 0.810 234 E CB -0.322 29.265 29.700 -0.189 0.000 0.742 234 E HN 0.619 nan 8.360 nan 0.000 0.466 235 Y N 0.200 120.389 120.300 -0.186 0.000 2.153 235 Y HA -0.164 4.385 4.550 -0.001 0.000 0.289 235 Y C 2.044 177.834 175.900 -0.184 0.000 1.127 235 Y CA 1.555 59.549 58.100 -0.176 0.000 1.131 235 Y CB -0.249 38.109 38.460 -0.170 0.000 0.995 235 Y HN -0.099 nan 8.280 nan 0.000 0.505 236 V N 0.086 119.800 119.914 -0.334 0.000 2.490 236 V HA -0.296 3.824 4.120 -0.001 0.000 0.250 236 V C 2.015 177.960 176.094 -0.248 0.000 1.061 236 V CA 2.138 64.211 62.300 -0.377 0.000 1.064 236 V CB -1.072 30.525 31.823 -0.376 0.000 0.670 236 V HN 0.602 nan 8.190 nan 0.000 0.461 237 Y N 1.087 121.223 120.300 -0.274 0.000 2.200 237 Y HA -0.191 4.359 4.550 -0.001 0.000 0.290 237 Y C 2.468 178.222 175.900 -0.242 0.000 1.137 237 Y CA 1.754 59.730 58.100 -0.206 0.000 1.163 237 Y CB -0.087 38.229 38.460 -0.241 0.000 0.988 237 Y HN 0.168 nan 8.280 nan 0.000 0.518 238 K N -0.146 120.101 120.400 -0.256 0.000 2.001 238 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 238 K C 2.128 178.524 176.600 -0.341 0.000 1.048 238 K CA 1.576 57.688 56.287 -0.291 0.000 0.932 238 K CB -0.225 32.144 32.500 -0.218 0.000 0.715 238 K HN 0.033 nan 8.250 nan 0.000 0.437 239 K N 0.969 121.108 120.400 -0.435 0.000 2.063 239 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 239 K C 2.025 178.450 176.600 -0.292 0.000 1.048 239 K CA 1.863 57.907 56.287 -0.405 0.000 0.928 239 K CB -0.705 31.414 32.500 -0.635 0.000 0.713 239 K HN 0.232 nan 8.250 nan 0.000 0.442 240 G N -0.794 107.829 108.800 -0.295 0.000 2.408 240 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 240 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 240 G C 1.498 176.259 174.900 -0.232 0.000 1.150 240 G CA 0.954 45.925 45.100 -0.214 0.000 0.776 240 G HN 0.374 nan 8.290 nan 0.000 0.542 241 S N 0.266 115.764 115.700 -0.338 0.000 2.406 241 S HA -0.031 4.439 4.470 -0.001 0.000 0.228 241 S C 2.094 176.572 174.600 -0.203 0.000 1.020 241 S CA 1.242 59.253 58.200 -0.314 0.000 0.965 241 S CB -0.059 62.871 63.200 -0.450 0.000 0.798 241 S HN 0.462 nan 8.310 nan 0.000 0.488 242 E N 2.168 122.250 120.200 -0.196 0.000 2.153 242 E HA -0.021 4.328 4.350 -0.001 0.000 0.194 242 E C 1.294 177.826 176.600 -0.114 0.000 0.988 242 E CA 0.821 57.136 56.400 -0.141 0.000 0.811 242 E CB -0.092 29.524 29.700 -0.141 0.000 0.746 242 E HN 0.289 nan 8.360 nan 0.000 0.466 243 N N 0.208 118.835 118.700 -0.122 0.000 2.370 243 N HA -0.022 4.718 4.740 -0.001 0.000 0.198 243 N C -0.406 175.055 175.510 -0.081 0.000 1.156 243 N CA 0.142 53.137 53.050 -0.092 0.000 0.839 243 N CB 0.376 38.811 38.487 -0.086 0.000 0.989 243 N HN 0.070 nan 8.380 nan 0.000 0.468 244 L N 0.086 121.253 121.223 -0.093 0.000 3.597 244 L HA -0.273 4.067 4.340 -0.001 0.000 0.440 244 L C 0.052 176.881 176.870 -0.068 0.000 1.277 244 L CA 1.233 56.026 54.840 -0.078 0.000 0.852 244 L CB -1.908 40.116 42.059 -0.059 0.000 1.708 244 L HN 0.357 nan 8.230 nan 0.000 0.885 245 K N -0.578 119.774 120.400 -0.079 0.000 2.426 245 K HA 0.755 5.075 4.320 -0.001 0.000 0.251 245 K C 0.133 176.706 176.600 -0.044 0.000 0.941 245 K CA -1.271 54.982 56.287 -0.057 0.000 0.808 245 K CB 1.865 34.338 32.500 -0.044 0.000 1.265 245 K HN 0.228 nan 8.250 nan 0.000 0.432 246 R N 0.713 121.201 120.500 -0.020 0.000 2.537 246 R HA 0.345 4.685 4.340 -0.001 0.000 0.280 246 R C -0.367 176.071 176.300 0.231 0.000 1.058 246 R CA -0.763 55.377 56.100 0.067 0.000 1.057 246 R CB 0.886 31.162 30.300 -0.040 0.000 0.973 246 R HN 0.479 nan 8.270 nan 0.000 0.438 247 V N 2.209 122.343 119.914 0.367 0.000 3.049 247 V HA 0.402 4.522 4.120 -0.001 0.000 0.309 247 V C -1.702 174.668 176.094 0.460 0.000 1.148 247 V CA -0.758 61.809 62.300 0.445 0.000 0.990 247 V CB 2.293 34.211 31.823 0.159 0.000 1.039 247 V HN 1.076 nan 8.190 nan 0.000 0.430 248 Q N 3.000 122.973 119.800 0.288 0.000 2.274 248 Q HA 0.698 5.038 4.340 -0.001 0.000 0.268 248 Q C -1.574 174.592 176.000 0.277 0.000 1.015 248 Q CA -0.589 55.274 55.803 0.101 0.000 0.775 248 Q CB 2.138 30.632 28.738 -0.406 0.000 1.256 248 Q HN 0.597 nan 8.270 nan 0.000 0.442 249 S N 3.573 119.436 115.700 0.272 0.000 2.566 249 S HA 0.412 4.882 4.470 -0.001 0.000 0.324 249 S C -0.839 173.989 174.600 0.381 0.000 1.081 249 S CA -0.573 57.886 58.200 0.431 0.000 1.105 249 S CB 0.477 63.972 63.200 0.493 0.000 0.981 249 S HN 0.526 nan 8.310 nan 0.000 0.464 250 L N 4.334 125.816 121.223 0.433 0.000 2.255 250 L HA 0.423 4.762 4.340 -0.001 0.000 0.289 250 L C 1.104 178.158 176.870 0.307 0.000 1.046 250 L CA 0.101 55.179 54.840 0.396 0.000 0.816 250 L CB 0.531 42.836 42.059 0.410 0.000 1.197 250 L HN 0.722 nan 8.230 nan 0.000 0.427 251 T N -0.411 114.282 114.554 0.231 0.000 2.855 251 T HA 0.741 5.090 4.350 -0.001 0.000 0.275 251 T C 0.711 175.486 174.700 0.126 0.000 1.022 251 T CA -0.409 61.816 62.100 0.210 0.000 0.977 251 T CB 0.517 69.509 68.868 0.207 0.000 1.559 251 T HN 0.556 nan 8.240 nan 0.000 0.600 252 G N -0.325 108.521 108.800 0.076 0.000 2.771 252 G HA2 0.466 4.426 3.960 -0.001 0.000 0.242 252 G HA3 0.466 4.426 3.960 -0.001 0.000 0.242 252 G C -0.223 174.480 174.900 -0.329 0.000 1.233 252 G CA -0.138 44.861 45.100 -0.170 0.000 0.858 252 G HN 1.209 nan 8.290 nan 0.000 0.591 253 A N 0.100 122.571 122.820 -0.582 0.000 2.594 253 A HA 0.807 5.127 4.320 -0.001 0.000 0.291 253 A C -0.406 176.882 177.584 -0.494 0.000 1.105 253 A CA -0.644 51.135 52.037 -0.430 0.000 0.694 253 A CB 2.061 21.022 19.000 -0.065 0.000 1.291 253 A HN 0.473 nan 8.150 nan 0.000 0.410 254 K N 1.869 122.158 120.400 -0.185 0.000 3.157 254 K HA 0.182 4.501 4.320 -0.001 0.000 0.173 254 K C -1.008 175.637 176.600 0.075 0.000 1.127 254 K CA -0.386 55.842 56.287 -0.099 0.000 0.849 254 K CB 0.119 32.592 32.500 -0.045 0.000 1.038 254 K HN 0.772 nan 8.250 nan 0.000 0.603 255 N N 1.831 120.561 118.700 0.049 0.000 2.447 255 N HA 0.006 4.746 4.740 -0.001 0.000 0.263 255 N C -0.085 175.488 175.510 0.105 0.000 1.226 255 N CA 0.394 53.518 53.050 0.124 0.000 0.906 255 N CB 0.430 38.961 38.487 0.073 0.000 1.060 255 N HN 0.283 nan 8.380 nan 0.000 0.468 256 H N 0.675 119.803 119.070 0.097 0.000 2.467 256 H HA 0.326 4.881 4.556 -0.001 0.000 0.331 256 H C -0.137 175.265 175.328 0.123 0.000 1.120 256 H CA -0.094 56.031 56.048 0.127 0.000 1.270 256 H CB 1.463 31.331 29.762 0.176 0.000 1.466 256 H HN 0.305 nan 8.280 nan 0.000 0.504 257 T N 4.134 118.795 114.554 0.178 0.000 2.841 257 T HA 0.369 4.719 4.350 -0.001 0.000 0.285 257 T C 0.277 175.032 174.700 0.092 0.000 0.991 257 T CA -0.628 61.559 62.100 0.145 0.000 0.966 257 T CB 0.803 69.755 68.868 0.140 0.000 0.962 257 T HN 0.343 nan 8.240 nan 0.000 0.438 258 I N 3.147 123.743 120.570 0.043 0.000 2.354 258 I HA 0.461 4.630 4.170 -0.001 0.000 0.292 258 I C -0.469 175.625 176.117 -0.039 0.000 0.989 258 I CA -1.013 60.271 61.300 -0.026 0.000 1.188 258 I CB 1.662 39.605 38.000 -0.094 0.000 1.342 258 I HN 0.229 nan 8.210 nan 0.000 0.457 259 V N 7.453 127.287 119.914 -0.132 0.000 2.326 259 V HA 0.377 4.496 4.120 -0.001 0.000 0.281 259 V C 0.290 176.293 176.094 -0.152 0.000 1.015 259 V CA -0.465 61.717 62.300 -0.196 0.000 0.823 259 V CB 1.165 32.649 31.823 -0.565 0.000 1.009 259 V HN 0.531 nan 8.190 nan 0.000 0.436 260 L N 3.147 124.321 121.223 -0.082 0.000 2.454 260 L HA 0.449 4.788 4.340 -0.001 0.000 0.256 260 L C 1.485 178.323 176.870 -0.054 0.000 1.136 260 L CA -0.670 54.131 54.840 -0.065 0.000 0.804 260 L CB 0.574 42.602 42.059 -0.052 0.000 1.181 260 L HN 0.486 nan 8.230 nan 0.000 0.469 261 N N 1.039 119.716 118.700 -0.039 0.000 2.348 261 N HA -0.162 4.577 4.740 -0.001 0.000 0.185 261 N C 0.832 176.335 175.510 -0.012 0.000 1.019 261 N CA 1.132 54.167 53.050 -0.024 0.000 0.880 261 N CB -0.254 38.222 38.487 -0.018 0.000 0.965 261 N HN 0.629 nan 8.380 nan 0.000 0.437 262 D N -0.414 119.979 120.400 -0.011 0.000 2.342 262 D HA 0.096 4.736 4.640 -0.001 0.000 0.221 262 D C 0.151 176.458 176.300 0.013 0.000 1.101 262 D CA -0.267 53.733 54.000 -0.001 0.000 0.837 262 D CB -0.259 40.538 40.800 -0.005 0.000 0.938 262 D HN -0.012 nan 8.370 nan 0.000 0.508 263 A N 1.008 123.838 122.820 0.017 0.000 2.425 263 A HA 0.130 4.450 4.320 -0.001 0.000 0.249 263 A C 0.506 178.124 177.584 0.057 0.000 1.084 263 A CA -0.501 51.569 52.037 0.054 0.000 0.781 263 A CB 0.163 19.192 19.000 0.048 0.000 1.019 263 A HN 0.246 nan 8.150 nan 0.000 0.490 264 N N 3.054 121.806 118.700 0.086 0.000 2.448 264 N HA 0.082 4.822 4.740 -0.001 0.000 0.250 264 N C 0.825 176.379 175.510 0.074 0.000 1.136 264 N CA -0.076 53.018 53.050 0.073 0.000 0.953 264 N CB 0.235 38.770 38.487 0.080 0.000 1.251 264 N HN 0.665 nan 8.380 nan 0.000 0.502 265 L N 2.568 123.827 121.223 0.060 0.000 2.081 265 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 265 L C 1.707 178.607 176.870 0.051 0.000 1.080 265 L CA 1.357 56.239 54.840 0.070 0.000 0.754 265 L CB -0.169 41.941 42.059 0.084 0.000 0.893 265 L HN 0.484 nan 8.230 nan 0.000 0.433 266 E N 0.387 120.612 120.200 0.042 0.000 2.013 266 E HA -0.245 4.105 4.350 -0.001 0.000 0.202 266 E C 1.854 178.477 176.600 0.039 0.000 1.018 266 E CA 1.799 58.219 56.400 0.033 0.000 0.834 266 E CB -0.377 29.344 29.700 0.034 0.000 0.770 266 E HN 0.419 nan 8.360 nan 0.000 0.459 267 D N -0.050 120.389 120.400 0.064 0.000 2.123 267 D HA -0.122 4.517 4.640 -0.001 0.000 0.196 267 D C 2.003 178.346 176.300 0.072 0.000 0.992 267 D CA 1.703 55.761 54.000 0.096 0.000 0.833 267 D CB -0.673 40.215 40.800 0.146 0.000 0.954 267 D HN 0.189 nan 8.370 nan 0.000 0.455 268 T N 1.221 115.770 114.554 -0.009 0.000 2.622 268 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 268 T C 2.359 176.903 174.700 -0.260 0.000 1.047 268 T CA 1.292 63.148 62.100 -0.407 0.000 1.159 268 T CB -0.623 67.995 68.868 -0.417 0.000 0.863 268 T HN -0.032 nan 8.240 nan 0.000 0.422 269 V N 1.610 121.501 119.914 -0.040 0.000 2.252 269 V HA -0.250 3.869 4.120 -0.001 0.000 0.249 269 V C 2.834 178.915 176.094 -0.022 0.000 1.056 269 V CA 2.339 64.632 62.300 -0.012 0.000 1.022 269 V CB -1.352 30.442 31.823 -0.048 0.000 0.641 269 V HN 0.555 nan 8.190 nan 0.000 0.445 270 T N -0.008 114.546 114.554 0.000 0.000 2.720 270 T HA -0.200 4.149 4.350 -0.001 0.000 0.268 270 T C 1.841 176.585 174.700 0.073 0.000 1.037 270 T CA 1.730 63.854 62.100 0.039 0.000 1.144 270 T CB -0.420 68.481 68.868 0.055 0.000 0.864 270 T HN 0.486 nan 8.240 nan 0.000 0.444 271 N N 0.802 119.540 118.700 0.063 0.000 2.084 271 N HA -0.001 4.739 4.740 -0.001 0.000 0.190 271 N C 1.971 177.527 175.510 0.077 0.000 1.030 271 N CA 1.126 54.245 53.050 0.115 0.000 0.849 271 N CB -0.223 38.413 38.487 0.247 0.000 1.012 271 N HN 0.379 nan 8.380 nan 0.000 0.423 272 I N 0.912 121.468 120.570 -0.023 0.000 2.252 272 I HA -0.196 3.974 4.170 -0.001 0.000 0.245 272 I C 2.225 178.342 176.117 0.001 0.000 1.102 272 I CA 0.690 61.979 61.300 -0.019 0.000 1.385 272 I CB -0.262 37.725 38.000 -0.022 0.000 1.064 272 I HN -0.103 nan 8.210 nan 0.000 0.414 273 V N 1.182 121.131 119.914 0.059 0.000 2.332 273 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 273 V C 2.569 178.831 176.094 0.279 0.000 1.055 273 V CA 2.261 64.661 62.300 0.167 0.000 1.038 273 V CB -1.390 30.501 31.823 0.113 0.000 0.651 273 V HN 0.585 nan 8.190 nan 0.000 0.450 274 G N -0.845 108.117 108.800 0.271 0.000 2.421 274 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.217 274 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.217 274 G C 1.695 176.672 174.900 0.128 0.000 1.143 274 G CA 0.898 46.181 45.100 0.305 0.000 0.784 274 G HN 0.603 nan 8.290 nan 0.000 0.541 275 A N 0.892 123.747 122.820 0.059 0.000 1.930 275 A HA 0.473 4.793 4.320 -0.001 0.000 0.215 275 A C 2.703 180.223 177.584 -0.106 0.000 1.176 275 A CA 1.842 53.880 52.037 0.002 0.000 0.632 275 A CB -0.496 18.522 19.000 0.030 0.000 0.819 275 A HN 0.591 nan 8.150 nan 0.000 0.445 276 A N -1.359 121.312 122.820 -0.248 0.000 1.898 276 A HA 0.237 4.556 4.320 -0.001 0.000 0.214 276 A C 1.582 178.755 177.584 -0.684 0.000 1.183 276 A CA 1.318 53.001 52.037 -0.592 0.000 0.622 276 A CB -0.406 17.994 19.000 -1.000 0.000 0.824 276 A HN 0.466 nan 8.150 nan 0.000 0.444 277 F N -0.210 119.807 119.950 0.112 0.000 2.724 277 F HA 0.315 4.842 4.527 -0.001 0.000 0.306 277 F C 1.583 177.466 175.800 0.138 0.000 1.100 277 F CA -0.656 57.436 58.000 0.153 0.000 1.255 277 F CB -0.562 38.576 39.000 0.230 0.000 1.072 277 F HN 0.155 nan 8.300 nan 0.000 0.589 278 G N -0.278 108.621 108.800 0.165 0.000 2.491 278 G HA2 0.269 4.229 3.960 -0.001 0.000 0.238 278 G HA3 0.269 4.229 3.960 -0.001 0.000 0.238 278 G C 0.677 175.525 174.900 -0.086 0.000 1.277 278 G CA 0.164 45.218 45.100 -0.076 0.000 0.851 278 G HN 0.185 nan 8.290 nan 0.000 0.573 279 S N -0.203 115.417 115.700 -0.133 0.000 3.614 279 S HA -0.134 4.335 4.470 -0.001 0.000 0.360 279 S C 1.499 176.036 174.600 -0.105 0.000 1.023 279 S CA 1.284 59.401 58.200 -0.138 0.000 1.114 279 S CB -1.670 61.399 63.200 -0.218 0.000 0.907 279 S HN 2.632 nan 8.310 nan 0.000 0.470 280 A N -1.359 121.455 122.820 -0.010 0.000 2.798 280 A HA 0.051 4.371 4.320 -0.001 0.000 0.282 280 A C 2.228 179.792 177.584 -0.034 0.000 1.464 280 A CA 1.584 53.646 52.037 0.041 0.000 0.844 280 A CB -2.233 16.792 19.000 0.042 0.000 1.006 280 A HN 2.588 nan 8.150 nan 0.000 0.577 281 G N -1.723 107.025 108.800 -0.086 0.000 2.186 281 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.266 281 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.266 281 G C -0.068 174.515 174.900 -0.530 0.000 0.982 281 G CA 0.907 45.881 45.100 -0.210 0.000 0.670 281 G HN 1.255 nan 8.290 nan 0.000 0.533 282 E N 0.200 120.033 120.200 -0.612 0.000 1.892 282 E HA 0.462 4.812 4.350 -0.001 0.000 0.271 282 E C 0.456 176.430 176.600 -1.044 0.000 1.146 282 E CA -0.141 55.501 56.400 -1.262 0.000 1.096 282 E CB 0.362 29.821 29.700 -0.401 0.000 1.155 282 E HN 0.423 nan 8.360 nan 0.000 0.458 283 R N 0.728 120.655 120.500 -0.954 0.000 2.566 283 R HA 0.130 4.470 4.340 -0.001 0.000 0.271 283 R C 0.568 176.980 176.300 0.186 0.000 1.071 283 R CA -0.491 55.507 56.100 -0.170 0.000 0.915 283 R CB 0.661 30.906 30.300 -0.090 0.000 1.228 283 R HN 0.593 nan 8.270 nan 0.000 0.449 284 C N 3.096 122.637 119.300 0.402 0.000 2.449 284 C HA 0.173 4.632 4.460 -0.001 0.000 0.283 284 C C 1.314 176.452 174.990 0.247 0.000 1.453 284 C CA -0.091 59.136 59.018 0.349 0.000 1.779 284 C CB -0.303 27.653 27.740 0.361 0.000 1.779 284 C HN 0.624 nan 8.230 nan 0.000 0.546 285 M N 1.030 120.772 119.600 0.236 0.000 2.404 285 M HA 0.348 4.827 4.480 -0.001 0.000 0.271 285 M C 1.028 177.378 176.300 0.083 0.000 1.128 285 M CA -0.045 55.349 55.300 0.156 0.000 0.982 285 M CB -0.347 32.369 32.600 0.193 0.000 1.445 285 M HN 0.460 nan 8.290 nan 0.000 0.495 286 A N 0.601 123.446 122.820 0.043 0.000 2.425 286 A HA 0.163 4.482 4.320 -0.001 0.000 0.242 286 A C 0.234 177.794 177.584 -0.042 0.000 1.077 286 A CA -0.229 51.787 52.037 -0.035 0.000 0.781 286 A CB 0.235 19.160 19.000 -0.125 0.000 1.020 286 A HN 0.552 nan 8.150 nan 0.000 0.494 287 C N 2.760 122.016 119.300 -0.074 0.000 2.322 287 C HA 0.575 5.035 4.460 -0.001 0.000 0.343 287 C C 1.309 176.221 174.990 -0.131 0.000 1.190 287 C CA 0.019 58.994 59.018 -0.072 0.000 1.704 287 C CB -0.944 26.763 27.740 -0.055 0.000 2.293 287 C HN 0.923 nan 8.230 nan 0.000 0.523 288 A N 4.778 127.526 122.820 -0.120 0.000 2.115 288 A HA 0.439 4.759 4.320 -0.001 0.000 0.211 288 A C 0.442 177.946 177.584 -0.135 0.000 1.169 288 A CA 0.550 52.506 52.037 -0.134 0.000 0.787 288 A CB 0.207 19.122 19.000 -0.142 0.000 0.858 288 A HN 0.755 nan 8.150 nan 0.000 0.474 289 V N 0.219 120.014 119.914 -0.198 0.000 2.686 289 V HA 0.435 4.555 4.120 -0.001 0.000 0.306 289 V C -1.065 174.979 176.094 -0.085 0.000 1.065 289 V CA -0.654 61.531 62.300 -0.192 0.000 0.894 289 V CB 1.812 33.317 31.823 -0.529 0.000 1.004 289 V HN -0.030 nan 8.190 nan 0.000 0.424 290 V N 3.403 123.336 119.914 0.031 0.000 2.417 290 V HA 0.552 4.671 4.120 -0.001 0.000 0.291 290 V C 0.231 176.375 176.094 0.083 0.000 1.024 290 V CA -0.369 61.968 62.300 0.061 0.000 0.861 290 V CB 2.324 34.212 31.823 0.107 0.000 0.985 290 V HN 1.036 nan 8.190 nan 0.000 0.436 291 T N 2.440 117.040 114.554 0.077 0.000 2.801 291 T HA 0.657 5.006 4.350 -0.001 0.000 0.306 291 T C -0.561 174.126 174.700 -0.021 0.000 1.020 291 T CA -0.604 61.542 62.100 0.077 0.000 0.948 291 T CB 0.907 69.858 68.868 0.138 0.000 0.962 291 T HN 0.257 nan 8.240 nan 0.000 0.465 292 V N 2.934 122.821 119.914 -0.046 0.000 2.427 292 V HA 0.380 4.499 4.120 -0.001 0.000 0.286 292 V C 0.692 176.750 176.094 -0.061 0.000 1.034 292 V CA -1.041 61.180 62.300 -0.132 0.000 0.893 292 V CB 1.265 33.005 31.823 -0.139 0.000 0.982 292 V HN 0.930 nan 8.190 nan 0.000 0.452 293 E N 1.949 122.103 120.200 -0.076 0.000 2.392 293 E HA 0.001 4.350 4.350 -0.001 0.000 0.264 293 E C 0.910 177.498 176.600 -0.019 0.000 1.024 293 E CA -0.121 56.256 56.400 -0.039 0.000 0.903 293 E CB 0.813 30.487 29.700 -0.044 0.000 0.963 293 E HN 0.739 nan 8.360 nan 0.000 0.432 294 E N 3.113 123.310 120.200 -0.005 0.000 2.086 294 E HA -0.209 4.141 4.350 -0.001 0.000 0.200 294 E C 1.693 178.299 176.600 0.011 0.000 1.012 294 E CA 2.099 58.504 56.400 0.008 0.000 0.812 294 E CB -0.595 29.109 29.700 0.006 0.000 0.743 294 E HN 0.745 nan 8.360 nan 0.000 0.453 295 G N 0.522 109.324 108.800 0.003 0.000 2.476 295 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 295 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 295 G C 1.686 176.595 174.900 0.016 0.000 1.164 295 G CA 0.924 46.028 45.100 0.006 0.000 0.768 295 G HN 0.424 nan 8.290 nan 0.000 0.560 296 I N 0.864 121.443 120.570 0.014 0.000 3.883 296 I HA 0.294 4.463 4.170 -0.001 0.000 0.326 296 I C 2.727 178.891 176.117 0.079 0.000 1.283 296 I CA 0.567 61.888 61.300 0.035 0.000 1.161 296 I CB 0.086 38.095 38.000 0.015 0.000 1.012 296 I HN 0.218 nan 8.210 nan 0.000 0.421 297 A N 0.923 123.784 122.820 0.068 0.000 1.884 297 A HA -0.291 4.028 4.320 -0.001 0.000 0.219 297 A C 1.934 179.615 177.584 0.161 0.000 1.197 297 A CA 2.417 54.528 52.037 0.122 0.000 0.637 297 A CB -0.661 18.387 19.000 0.080 0.000 0.827 297 A HN 0.462 nan 8.150 nan 0.000 0.450 298 D N -1.128 119.329 120.400 0.095 0.000 2.097 298 D HA -0.159 4.480 4.640 -0.001 0.000 0.195 298 D C 1.954 178.290 176.300 0.059 0.000 0.989 298 D CA 1.524 55.565 54.000 0.067 0.000 0.827 298 D CB -0.373 40.451 40.800 0.040 0.000 0.966 298 D HN 0.751 nan 8.370 nan 0.000 0.456 299 E N -0.073 120.168 120.200 0.069 0.000 2.085 299 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 299 E C 2.072 178.713 176.600 0.067 0.000 0.994 299 E CA 0.581 57.013 56.400 0.054 0.000 0.801 299 E CB -0.176 29.559 29.700 0.058 0.000 0.743 299 E HN 0.145 nan 8.360 nan 0.000 0.453 300 F N 0.945 120.883 119.950 -0.020 0.000 2.126 300 F HA -0.226 4.301 4.527 -0.001 0.000 0.299 300 F C 2.098 177.883 175.800 -0.026 0.000 1.096 300 F CA 1.410 59.392 58.000 -0.031 0.000 1.255 300 F CB -0.164 38.816 39.000 -0.033 0.000 0.997 300 F HN 0.070 nan 8.300 nan 0.000 0.479 301 M N 0.358 119.878 119.600 -0.132 0.000 2.175 301 M HA -0.089 4.391 4.480 -0.001 0.000 0.264 301 M C 2.515 178.696 176.300 -0.198 0.000 1.063 301 M CA 1.546 56.718 55.300 -0.212 0.000 1.119 301 M CB -2.016 30.564 32.600 -0.034 0.000 1.377 301 M HN 0.323 nan 8.290 nan 0.000 0.415 302 A N 0.185 122.932 122.820 -0.122 0.000 1.898 302 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 302 A C 2.298 179.802 177.584 -0.134 0.000 1.181 302 A CA 1.553 53.530 52.037 -0.101 0.000 0.620 302 A CB -0.452 18.514 19.000 -0.057 0.000 0.819 302 A HN 0.466 nan 8.150 nan 0.000 0.442 303 K N -0.968 119.336 120.400 -0.160 0.000 2.103 303 K HA -0.022 4.297 4.320 -0.001 0.000 0.204 303 K C 1.915 178.376 176.600 -0.232 0.000 1.052 303 K CA 1.149 57.339 56.287 -0.161 0.000 0.945 303 K CB -0.275 32.154 32.500 -0.117 0.000 0.722 303 K HN 0.399 nan 8.250 nan 0.000 0.443 304 L N 1.531 122.519 121.223 -0.391 0.000 2.027 304 L HA -0.170 4.170 4.340 -0.001 0.000 0.206 304 L C 2.484 179.213 176.870 -0.234 0.000 1.074 304 L CA 1.746 56.346 54.840 -0.399 0.000 0.745 304 L CB -0.525 41.114 42.059 -0.699 0.000 0.898 304 L HN 0.149 nan 8.230 nan 0.000 0.433 305 Q N 0.253 119.926 119.800 -0.211 0.000 2.061 305 Q HA -0.301 4.038 4.340 -0.001 0.000 0.204 305 Q C 2.146 178.058 176.000 -0.145 0.000 0.984 305 Q CA 2.392 58.103 55.803 -0.153 0.000 0.846 305 Q CB -0.274 28.389 28.738 -0.125 0.000 0.902 305 Q HN 0.798 nan 8.270 nan 0.000 0.421 306 E N 0.098 120.216 120.200 -0.137 0.000 2.038 306 E HA -0.246 4.103 4.350 -0.001 0.000 0.195 306 E C 2.012 178.532 176.600 -0.133 0.000 1.000 306 E CA 1.671 57.999 56.400 -0.120 0.000 0.803 306 E CB -0.097 29.542 29.700 -0.102 0.000 0.750 306 E HN 0.106 nan 8.360 nan 0.000 0.448 307 K N 0.106 120.420 120.400 -0.143 0.000 2.097 307 K HA -0.095 4.225 4.320 -0.001 0.000 0.206 307 K C 1.956 178.434 176.600 -0.203 0.000 1.049 307 K CA 1.304 57.498 56.287 -0.154 0.000 0.933 307 K CB -0.180 32.238 32.500 -0.136 0.000 0.717 307 K HN 0.091 nan 8.250 nan 0.000 0.442 308 V N 0.523 120.317 119.914 -0.200 0.000 2.548 308 V HA -0.123 3.997 4.120 -0.001 0.000 0.249 308 V C 2.137 178.059 176.094 -0.287 0.000 1.055 308 V CA 1.698 63.837 62.300 -0.269 0.000 1.065 308 V CB -0.467 31.209 31.823 -0.245 0.000 0.681 308 V HN 0.455 nan 8.190 nan 0.000 0.462 309 A N -0.573 122.118 122.820 -0.215 0.000 2.119 309 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 309 A C 1.754 179.235 177.584 -0.172 0.000 1.153 309 A CA 1.424 53.351 52.037 -0.185 0.000 0.692 309 A CB -0.345 18.569 19.000 -0.142 0.000 0.799 309 A HN 0.502 nan 8.150 nan 0.000 0.458 310 D N -0.296 119.994 120.400 -0.183 0.000 2.340 310 D HA 0.129 4.768 4.640 -0.001 0.000 0.220 310 D C 0.401 176.587 176.300 -0.190 0.000 1.039 310 D CA 0.063 53.966 54.000 -0.162 0.000 0.866 310 D CB -0.103 40.611 40.800 -0.145 0.000 0.913 310 D HN 0.442 nan 8.370 nan 0.000 0.523 311 I N 1.626 122.038 120.570 -0.264 0.000 2.668 311 I HA -0.091 4.079 4.170 -0.001 0.000 0.285 311 I C 0.722 176.767 176.117 -0.120 0.000 1.168 311 I CA 0.460 61.590 61.300 -0.284 0.000 1.424 311 I CB 0.398 38.173 38.000 -0.375 0.000 1.377 311 I HN -0.387 nan 8.210 nan 0.000 0.560 312 K N 7.653 128.039 120.400 -0.024 0.000 2.227 312 K HA 0.523 4.843 4.320 -0.001 0.000 0.280 312 K C -0.660 175.956 176.600 0.028 0.000 1.041 312 K CA -0.372 55.911 56.287 -0.006 0.000 0.905 312 K CB 1.184 33.692 32.500 0.013 0.000 1.068 312 K HN 0.468 nan 8.250 nan 0.000 0.470 313 I N 2.095 122.634 120.570 -0.051 0.000 2.336 313 I HA 0.480 4.650 4.170 -0.001 0.000 0.292 313 I C 0.675 176.637 176.117 -0.257 0.000 0.991 313 I CA -0.314 60.932 61.300 -0.089 0.000 1.227 313 I CB 1.602 39.528 38.000 -0.124 0.000 1.366 313 I HN 0.824 nan 8.210 nan 0.000 0.466 314 G N 5.098 113.760 108.800 -0.229 0.000 2.450 314 G HA2 0.045 4.004 3.960 -0.001 0.000 0.273 314 G HA3 0.045 4.004 3.960 -0.001 0.000 0.273 314 G C -1.616 173.308 174.900 0.039 0.000 1.221 314 G CA -0.629 44.283 45.100 -0.313 0.000 0.900 314 G HN 0.474 nan 8.290 nan 0.000 0.483 315 N N 0.832 119.570 118.700 0.063 0.000 2.458 315 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 315 N C 1.616 177.175 175.510 0.082 0.000 1.102 315 N CA 0.666 53.799 53.050 0.138 0.000 0.967 315 N CB 1.441 39.977 38.487 0.081 0.000 1.078 315 N HN 0.719 nan 8.380 nan 0.000 0.471 316 G N 3.827 112.673 108.800 0.076 0.000 2.475 316 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.220 316 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.220 316 G C 1.380 176.291 174.900 0.018 0.000 1.125 316 G CA 0.432 45.551 45.100 0.032 0.000 0.755 316 G HN 0.548 nan 8.290 nan 0.000 0.565 317 L N 0.834 122.069 121.223 0.021 0.000 2.201 317 L HA 0.073 4.413 4.340 -0.001 0.000 0.212 317 L C 1.006 177.897 176.870 0.036 0.000 1.105 317 L CA 0.590 55.451 54.840 0.034 0.000 0.775 317 L CB -0.994 41.096 42.059 0.052 0.000 0.913 317 L HN 0.204 nan 8.230 nan 0.000 0.440 318 D N 1.890 122.308 120.400 0.030 0.000 2.346 318 D HA -0.015 4.625 4.640 -0.001 0.000 0.260 318 D C -0.313 176.001 176.300 0.022 0.000 1.252 318 D CA -0.281 53.732 54.000 0.023 0.000 0.895 318 D CB 0.820 41.628 40.800 0.013 0.000 1.097 318 D HN 0.212 nan 8.370 nan 0.000 0.489 319 D N 1.977 122.390 120.400 0.022 0.000 2.414 319 D HA 0.315 4.954 4.640 -0.001 0.000 0.242 319 D C 1.211 177.525 176.300 0.024 0.000 1.129 319 D CA 0.220 54.234 54.000 0.023 0.000 0.885 319 D CB 1.077 41.890 40.800 0.022 0.000 1.198 319 D HN 0.552 nan 8.370 nan 0.000 0.437 320 G N 0.805 109.626 108.800 0.034 0.000 2.259 320 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.217 320 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.217 320 G C 0.095 175.030 174.900 0.057 0.000 1.001 320 G CA -0.025 45.099 45.100 0.039 0.000 0.627 320 G HN 0.707 nan 8.290 nan 0.000 0.501 321 V N 2.454 122.398 119.914 0.050 0.000 2.455 321 V HA 0.509 4.629 4.120 -0.001 0.000 0.273 321 V C 1.145 177.304 176.094 0.108 0.000 1.045 321 V CA 0.535 62.875 62.300 0.066 0.000 0.976 321 V CB 1.041 32.888 31.823 0.040 0.000 0.993 321 V HN 0.374 nan 8.190 nan 0.000 0.475 322 F N 5.647 125.600 119.950 0.005 0.000 2.208 322 F HA 0.295 4.822 4.527 -0.000 0.000 0.282 322 F C 0.802 176.626 175.800 0.039 0.000 1.071 322 F CA 0.516 58.528 58.000 0.020 0.000 1.228 322 F CB 0.344 39.351 39.000 0.012 0.000 1.088 322 F HN 0.357 nan 8.300 nan 0.000 0.512 323 L N 1.753 123.210 121.223 0.390 0.000 2.265 323 L HA 0.546 4.885 4.340 -0.001 0.000 0.288 323 L C 0.229 177.219 176.870 0.199 0.000 1.058 323 L CA -0.165 54.838 54.840 0.272 0.000 0.809 323 L CB 0.520 42.767 42.059 0.312 0.000 1.179 323 L HN 0.245 nan 8.230 nan 0.000 0.429 324 G N 5.146 114.045 108.800 0.164 0.000 2.583 324 G HA2 0.615 4.575 3.960 -0.001 0.000 0.280 324 G HA3 0.615 4.575 3.960 -0.001 0.000 0.280 324 G C -2.767 172.292 174.900 0.266 0.000 1.376 324 G CA -1.003 44.241 45.100 0.239 0.000 1.043 324 G HN 0.604 nan 8.290 nan 0.000 0.538 325 P HA 0.347 nan 4.420 nan 0.000 0.280 325 P C -0.306 176.949 177.300 -0.075 0.000 1.272 325 P CA -0.416 62.520 63.100 -0.274 0.000 0.819 325 P CB 1.790 32.928 31.700 -0.936 0.000 1.122 326 V N 2.043 121.938 119.914 -0.032 0.000 2.953 326 V HA -0.024 4.096 4.120 -0.001 0.000 0.304 326 V C 2.131 178.237 176.094 0.020 0.000 1.073 326 V CA 0.086 62.406 62.300 0.033 0.000 1.064 326 V CB 0.752 32.608 31.823 0.054 0.000 1.047 326 V HN 0.523 nan 8.190 nan 0.000 0.478 327 I N 2.728 123.274 120.570 -0.041 0.000 2.127 327 I HA -0.085 4.084 4.170 -0.001 0.000 0.241 327 I C 1.430 177.474 176.117 -0.122 0.000 1.075 327 I CA 1.778 62.975 61.300 -0.171 0.000 1.334 327 I CB -0.189 37.365 38.000 -0.743 0.000 1.040 327 I HN 0.569 nan 8.210 nan 0.000 0.405 328 R N -0.569 119.758 120.500 -0.289 0.000 3.029 328 R HA 0.238 4.578 4.340 -0.001 0.000 0.239 328 R C 1.098 176.836 176.300 -0.935 0.000 1.351 328 R CA -0.394 55.376 56.100 -0.549 0.000 1.052 328 R CB 0.373 30.442 30.300 -0.384 0.000 1.354 328 R HN -0.041 nan 8.270 nan 0.000 0.499 329 E N 0.671 120.208 120.200 -1.105 0.000 2.158 329 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 329 E C 0.685 177.084 176.600 -0.334 0.000 0.982 329 E CA 1.452 57.380 56.400 -0.787 0.000 0.823 329 E CB 0.099 29.468 29.700 -0.551 0.000 0.766 329 E HN 0.404 nan 8.360 nan 0.000 0.468 330 D N 0.278 120.517 120.400 -0.269 0.000 2.084 330 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 330 D C 1.469 177.716 176.300 -0.089 0.000 0.990 330 D CA 1.296 55.213 54.000 -0.139 0.000 0.826 330 D CB -0.359 40.374 40.800 -0.112 0.000 0.971 330 D HN 0.211 nan 8.370 nan 0.000 0.453 331 N N 0.924 119.561 118.700 -0.105 0.000 2.205 331 N HA -0.157 4.583 4.740 -0.001 0.000 0.186 331 N C 1.607 177.127 175.510 0.017 0.000 1.015 331 N CA 0.802 53.843 53.050 -0.015 0.000 0.862 331 N CB -0.107 38.362 38.487 -0.029 0.000 0.986 331 N HN 0.236 nan 8.380 nan 0.000 0.429 332 K N 1.202 121.579 120.400 -0.039 0.000 2.025 332 K HA -0.065 4.255 4.320 -0.001 0.000 0.207 332 K C 1.466 178.088 176.600 0.036 0.000 1.049 332 K CA 1.152 57.449 56.287 0.017 0.000 0.933 332 K CB 0.085 32.589 32.500 0.008 0.000 0.714 332 K HN 0.061 nan 8.250 nan 0.000 0.438 333 K N 0.347 120.747 120.400 0.001 0.000 2.057 333 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 333 K C 2.369 178.982 176.600 0.022 0.000 1.050 333 K CA 1.298 57.590 56.287 0.008 0.000 0.935 333 K CB -0.169 32.320 32.500 -0.018 0.000 0.715 333 K HN 0.128 nan 8.250 nan 0.000 0.439 334 R N 0.827 121.344 120.500 0.029 0.000 2.105 334 R HA -0.132 4.208 4.340 -0.001 0.000 0.239 334 R C 1.870 178.257 176.300 0.145 0.000 1.135 334 R CA 1.870 57.993 56.100 0.038 0.000 0.967 334 R CB -0.227 30.129 30.300 0.093 0.000 0.861 334 R HN 0.145 nan 8.270 nan 0.000 0.442 335 T N 1.461 116.139 114.554 0.207 0.000 2.737 335 T HA -0.104 4.246 4.350 -0.001 0.000 0.265 335 T C 1.635 176.472 174.700 0.229 0.000 1.038 335 T CA 0.899 63.167 62.100 0.280 0.000 1.144 335 T CB -0.113 68.876 68.868 0.201 0.000 0.866 335 T HN 0.059 nan 8.240 nan 0.000 0.434 336 L N 1.310 122.618 121.223 0.141 0.000 2.079 336 L HA -0.018 4.322 4.340 -0.001 0.000 0.210 336 L C 2.727 179.660 176.870 0.105 0.000 1.081 336 L CA 1.384 56.292 54.840 0.113 0.000 0.752 336 L CB -1.434 40.669 42.059 0.073 0.000 0.896 336 L HN 0.243 nan 8.230 nan 0.000 0.433 337 S N -1.798 113.934 115.700 0.053 0.000 2.382 337 S HA -0.198 4.271 4.470 -0.001 0.000 0.228 337 S C 2.128 176.720 174.600 -0.014 0.000 1.027 337 S CA 0.932 59.118 58.200 -0.023 0.000 0.991 337 S CB -0.265 62.859 63.200 -0.126 0.000 0.823 337 S HN 0.471 nan 8.310 nan 0.000 0.469 338 Y N 1.243 121.608 120.300 0.109 0.000 2.242 338 Y HA 0.040 4.589 4.550 -0.001 0.000 0.291 338 Y C 2.160 178.172 175.900 0.188 0.000 1.137 338 Y CA 1.291 59.467 58.100 0.127 0.000 1.181 338 Y CB -0.127 38.416 38.460 0.137 0.000 0.989 338 Y HN 0.270 nan 8.280 nan 0.000 0.527 339 I N -0.400 120.409 120.570 0.400 0.000 2.179 339 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 339 I C 2.265 178.624 176.117 0.403 0.000 1.088 339 I CA 1.400 62.994 61.300 0.490 0.000 1.357 339 I CB -0.326 37.844 38.000 0.283 0.000 1.051 339 I HN 0.140 nan 8.210 nan 0.000 0.409 340 E N 1.178 121.515 120.200 0.228 0.000 2.085 340 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 340 E C 2.133 178.809 176.600 0.127 0.000 0.994 340 E CA 1.277 57.769 56.400 0.153 0.000 0.801 340 E CB -0.040 29.712 29.700 0.087 0.000 0.743 340 E HN 0.087 nan 8.360 nan 0.000 0.453 341 K N -0.404 120.061 120.400 0.109 0.000 2.057 341 K HA -0.051 4.269 4.320 -0.001 0.000 0.207 341 K C 2.042 178.661 176.600 0.032 0.000 1.049 341 K CA 1.268 57.595 56.287 0.067 0.000 0.931 341 K CB -0.772 31.771 32.500 0.071 0.000 0.714 341 K HN 0.278 nan 8.250 nan 0.000 0.440 342 G N 1.366 110.157 108.800 -0.015 0.000 2.459 342 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 342 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 342 G C 1.740 176.552 174.900 -0.147 0.000 1.183 342 G CA 0.738 45.619 45.100 -0.365 0.000 0.776 342 G HN 0.256 nan 8.290 nan 0.000 0.552 343 L N 0.145 121.456 121.223 0.148 0.000 2.079 343 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 343 L C 2.780 179.706 176.870 0.094 0.000 1.081 343 L CA 1.592 56.551 54.840 0.199 0.000 0.752 343 L CB -0.319 41.874 42.059 0.223 0.000 0.896 343 L HN 0.373 nan 8.230 nan 0.000 0.433 344 E N 0.388 120.627 120.200 0.066 0.000 2.107 344 E HA -0.213 4.136 4.350 -0.001 0.000 0.191 344 E C 1.791 178.407 176.600 0.026 0.000 0.982 344 E CA 0.942 57.368 56.400 0.044 0.000 0.809 344 E CB 0.127 29.851 29.700 0.040 0.000 0.756 344 E HN 0.514 nan 8.360 nan 0.000 0.459 345 E N -1.122 119.082 120.200 0.007 0.000 2.478 345 E HA -0.020 4.330 4.350 -0.001 0.000 0.198 345 E C 0.890 177.488 176.600 -0.004 0.000 1.046 345 E CA 0.418 56.817 56.400 -0.002 0.000 0.870 345 E CB 0.344 30.034 29.700 -0.016 0.000 0.818 345 E HN 0.490 nan 8.360 nan 0.000 0.527 346 G N 0.612 109.416 108.800 0.005 0.000 2.184 346 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.206 346 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.206 346 G C 0.324 175.240 174.900 0.028 0.000 0.995 346 G CA -0.134 44.978 45.100 0.020 0.000 0.651 346 G HN 0.432 nan 8.290 nan 0.000 0.511 347 A N 0.171 122.984 122.820 -0.013 0.000 2.366 347 A HA 0.760 5.080 4.320 -0.001 0.000 0.249 347 A C 0.649 178.377 177.584 0.241 0.000 1.084 347 A CA 0.160 52.207 52.037 0.016 0.000 0.794 347 A CB 0.330 19.106 19.000 -0.373 0.000 1.034 347 A HN 0.515 nan 8.150 nan 0.000 0.491 348 R N 0.973 121.669 120.500 0.327 0.000 2.387 348 R HA 0.463 4.803 4.340 -0.001 0.000 0.314 348 R C -1.139 175.339 176.300 0.296 0.000 0.958 348 R CA -0.509 55.759 56.100 0.280 0.000 0.846 348 R CB 1.349 31.740 30.300 0.152 0.000 1.147 348 R HN 0.648 nan 8.270 nan 0.000 0.447 349 L N 2.857 124.153 121.223 0.121 0.000 2.380 349 L HA 0.106 4.446 4.340 -0.001 0.000 0.273 349 L C 0.878 177.701 176.870 -0.079 0.000 1.138 349 L CA -0.120 54.633 54.840 -0.146 0.000 0.832 349 L CB 1.284 43.224 42.059 -0.199 0.000 1.124 349 L HN 0.562 nan 8.230 nan 0.000 0.454 350 V N 1.004 120.849 119.914 -0.115 0.000 3.359 350 V HA 0.081 4.200 4.120 -0.001 0.000 0.245 350 V C 0.061 176.090 176.094 -0.108 0.000 1.247 350 V CA 0.370 62.626 62.300 -0.074 0.000 1.145 350 V CB 1.171 32.970 31.823 -0.040 0.000 0.906 350 V HN 0.773 nan 8.190 nan 0.000 0.464 351 C N 0.920 120.127 119.300 -0.155 0.000 2.516 351 C HA 0.466 4.926 4.460 -0.001 0.000 0.338 351 C C -0.825 174.044 174.990 -0.200 0.000 1.132 351 C CA -1.001 57.918 59.018 -0.166 0.000 1.310 351 C CB 1.066 28.698 27.740 -0.180 0.000 1.898 351 C HN 0.379 nan 8.230 nan 0.000 0.452 352 D N 1.631 121.934 120.400 -0.162 0.000 2.380 352 D HA 0.310 4.950 4.640 -0.001 0.000 0.230 352 D C 1.148 177.379 176.300 -0.114 0.000 1.154 352 D CA 0.159 54.070 54.000 -0.147 0.000 0.859 352 D CB 1.394 42.133 40.800 -0.101 0.000 1.045 352 D HN 0.831 nan 8.370 nan 0.000 0.495 353 G N 3.412 112.148 108.800 -0.107 0.000 2.679 353 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.212 353 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.212 353 G C 1.459 176.348 174.900 -0.018 0.000 1.137 353 G CA 0.084 45.147 45.100 -0.063 0.000 0.787 353 G HN 0.430 nan 8.290 nan 0.000 0.534 354 R N 0.624 121.114 120.500 -0.017 0.000 2.119 354 R HA 0.057 4.397 4.340 -0.001 0.000 0.222 354 R C 0.976 177.276 176.300 0.000 0.000 1.088 354 R CA 0.603 56.707 56.100 0.008 0.000 0.984 354 R CB -0.060 30.248 30.300 0.013 0.000 0.884 354 R HN 0.625 nan 8.270 nan 0.000 0.447 355 E N 1.688 121.876 120.200 -0.021 0.000 2.343 355 E HA 0.060 4.409 4.350 -0.001 0.000 0.269 355 E C -0.907 175.677 176.600 -0.028 0.000 1.047 355 E CA -0.576 55.810 56.400 -0.024 0.000 0.874 355 E CB 0.294 29.972 29.700 -0.036 0.000 1.033 355 E HN 0.092 nan 8.360 nan 0.000 0.409 356 N N -0.165 118.520 118.700 -0.024 0.000 2.536 356 N HA -0.179 4.560 4.740 -0.001 0.000 0.299 356 N C -1.258 174.235 175.510 -0.029 0.000 1.309 356 N CA 0.529 53.560 53.050 -0.032 0.000 0.696 356 N CB -0.745 37.713 38.487 -0.048 0.000 0.965 356 N HN 0.517 nan 8.380 nan 0.000 0.530 357 V N -0.994 118.915 119.914 -0.009 0.000 2.752 357 V HA 0.537 4.657 4.120 -0.001 0.000 0.302 357 V C 0.374 176.487 176.094 0.032 0.000 1.133 357 V CA -1.026 61.284 62.300 0.017 0.000 0.919 357 V CB 1.656 33.524 31.823 0.074 0.000 1.026 357 V HN 0.430 nan 8.190 nan 0.000 0.429 358 S N 1.635 117.329 115.700 -0.010 0.000 2.572 358 S HA 0.169 4.639 4.470 -0.001 0.000 0.267 358 S C 0.606 175.299 174.600 0.156 0.000 1.361 358 S CA 1.191 59.403 58.200 0.019 0.000 1.009 358 S CB 0.960 64.090 63.200 -0.117 0.000 0.888 358 S HN 1.169 nan 8.310 nan 0.000 0.553 359 D N -0.591 119.883 120.400 0.123 0.000 2.469 359 D HA 0.212 4.852 4.640 -0.001 0.000 0.213 359 D C 0.624 176.987 176.300 0.105 0.000 1.135 359 D CA -0.076 53.997 54.000 0.121 0.000 0.834 359 D CB 0.095 40.940 40.800 0.074 0.000 1.009 359 D HN 0.462 nan 8.370 nan 0.000 0.507 360 D N -0.031 120.449 120.400 0.134 0.000 2.144 360 D HA 0.034 4.673 4.640 -0.001 0.000 0.199 360 D C 1.164 177.480 176.300 0.026 0.000 0.984 360 D CA 1.109 55.166 54.000 0.095 0.000 0.834 360 D CB 0.068 40.945 40.800 0.129 0.000 0.955 360 D HN 0.311 nan 8.370 nan 0.000 0.465 361 G N -1.611 107.238 108.800 0.081 0.000 3.022 361 G HA2 0.388 4.348 3.960 -0.001 0.000 0.284 361 G HA3 0.388 4.348 3.960 -0.001 0.000 0.284 361 G C -1.121 173.525 174.900 -0.425 0.000 1.375 361 G CA -0.870 43.956 45.100 -0.456 0.000 0.902 361 G HN 0.096 nan 8.290 nan 0.000 0.538 362 Y N 0.490 120.541 120.300 -0.414 0.000 2.971 362 Y HA 0.304 4.853 4.550 -0.001 0.000 0.384 362 Y C -0.133 175.596 175.900 -0.285 0.000 1.166 362 Y CA -0.732 57.215 58.100 -0.256 0.000 1.973 362 Y CB -0.591 37.742 38.460 -0.212 0.000 2.082 362 Y HN 0.052 nan 8.280 nan 0.000 0.420 363 F N 0.411 120.419 119.950 0.097 0.000 2.412 363 F HA 0.401 4.928 4.527 -0.000 0.000 0.348 363 F C 0.152 175.989 175.800 0.061 0.000 1.102 363 F CA -0.884 57.152 58.000 0.060 0.000 1.196 363 F CB 0.872 39.884 39.000 0.020 0.000 1.144 363 F HN -0.215 nan 8.300 nan 0.000 0.541 364 V N 2.574 122.644 119.914 0.260 0.000 2.612 364 V HA 0.527 4.647 4.120 -0.001 0.000 0.301 364 V C 0.303 176.466 176.094 0.114 0.000 1.059 364 V CA -1.145 61.248 62.300 0.155 0.000 0.886 364 V CB 1.464 33.365 31.823 0.130 0.000 1.007 364 V HN 0.951 nan 8.190 nan 0.000 0.426 365 G N 5.012 113.843 108.800 0.050 0.000 2.636 365 G HA2 0.442 4.401 3.960 -0.001 0.000 0.246 365 G HA3 0.442 4.401 3.960 -0.001 0.000 0.246 365 G C -2.407 172.446 174.900 -0.077 0.000 1.216 365 G CA -0.862 44.224 45.100 -0.025 0.000 0.854 365 G HN 0.538 nan 8.290 nan 0.000 0.572 366 P HA 0.194 nan 4.420 nan 0.000 0.276 366 P C -0.237 176.873 177.300 -0.316 0.000 1.230 366 P CA 0.137 62.974 63.100 -0.438 0.000 0.776 366 P CB 1.391 32.452 31.700 -1.065 0.000 0.888 367 T N 2.277 116.752 114.554 -0.131 0.000 2.876 367 T HA 0.639 4.989 4.350 -0.001 0.000 0.289 367 T C -0.924 173.783 174.700 0.011 0.000 1.014 367 T CA -0.785 61.250 62.100 -0.109 0.000 0.986 367 T CB 0.784 69.586 68.868 -0.110 0.000 1.021 367 T HN 0.307 nan 8.240 nan 0.000 0.458 368 I N 3.565 124.079 120.570 -0.093 0.000 2.533 368 I HA 0.748 4.918 4.170 -0.001 0.000 0.290 368 I C -2.025 174.040 176.117 -0.085 0.000 1.056 368 I CA -1.069 60.250 61.300 0.032 0.000 1.057 368 I CB 1.270 39.334 38.000 0.105 0.000 1.240 368 I HN 0.719 nan 8.210 nan 0.000 0.423 369 F N 5.447 125.456 119.950 0.098 0.000 2.483 369 F HA 0.661 5.188 4.527 -0.001 0.000 0.329 369 F C -0.103 175.746 175.800 0.082 0.000 1.064 369 F CA -0.153 57.898 58.000 0.084 0.000 0.986 369 F CB 1.546 40.603 39.000 0.094 0.000 1.218 369 F HN 0.657 nan 8.300 nan 0.000 0.484 370 D N -0.168 120.416 120.400 0.308 0.000 2.570 370 D HA 0.257 4.896 4.640 -0.001 0.000 0.244 370 D C -0.974 175.422 176.300 0.161 0.000 1.178 370 D CA -0.937 53.179 54.000 0.193 0.000 0.881 370 D CB 1.467 42.349 40.800 0.137 0.000 1.453 370 D HN 0.604 nan 8.370 nan 0.000 0.447 371 N N -1.387 117.380 118.700 0.112 0.000 2.815 371 N HA -0.148 4.591 4.740 -0.001 0.000 0.248 371 N C -0.185 175.359 175.510 0.056 0.000 1.110 371 N CA 1.024 54.119 53.050 0.075 0.000 0.699 371 N CB -1.481 37.050 38.487 0.074 0.000 1.040 371 N HN 0.596 nan 8.380 nan 0.000 0.555 372 V N -2.015 117.934 119.914 0.059 0.000 2.837 372 V HA 0.907 5.027 4.120 -0.001 0.000 0.310 372 V C 0.793 176.874 176.094 -0.021 0.000 1.059 372 V CA 0.396 62.710 62.300 0.023 0.000 1.004 372 V CB 1.963 33.818 31.823 0.054 0.000 1.045 372 V HN 0.293 nan 8.190 nan 0.000 0.465 373 T N -0.544 113.972 114.554 -0.062 0.000 2.888 373 T HA 0.421 4.771 4.350 -0.001 0.000 0.288 373 T C 0.853 175.359 174.700 -0.324 0.000 1.063 373 T CA 0.139 62.136 62.100 -0.171 0.000 1.010 373 T CB 1.118 69.914 68.868 -0.120 0.000 1.214 373 T HN 1.271 nan 8.240 nan 0.000 0.533 374 T N -1.993 112.201 114.554 -0.601 0.000 3.163 374 T HA 0.096 4.445 4.350 -0.001 0.000 0.260 374 T C 0.841 175.371 174.700 -0.284 0.000 1.156 374 T CA 0.564 62.029 62.100 -1.058 0.000 1.072 374 T CB -0.487 67.638 68.868 -1.239 0.000 0.937 374 T HN 0.755 nan 8.240 nan 0.000 0.528 375 E N 0.227 120.362 120.200 -0.108 0.000 2.481 375 E HA 0.263 4.613 4.350 -0.001 0.000 0.198 375 E C 0.048 176.701 176.600 0.088 0.000 1.027 375 E CA -0.107 56.306 56.400 0.022 0.000 0.900 375 E CB 0.241 29.934 29.700 -0.011 0.000 0.993 375 E HN 0.605 nan 8.360 nan 0.000 0.482 376 M N 0.455 120.127 119.600 0.119 0.000 2.264 376 M HA 0.155 4.634 4.480 -0.001 0.000 0.352 376 M C 1.123 177.548 176.300 0.209 0.000 1.173 376 M CA -0.122 55.253 55.300 0.124 0.000 1.075 376 M CB 1.460 34.098 32.600 0.063 0.000 1.621 376 M HN -0.193 nan 8.290 nan 0.000 0.457 377 T N 1.933 116.588 114.554 0.167 0.000 2.849 377 T HA -0.090 4.259 4.350 -0.001 0.000 0.270 377 T C 1.653 176.476 174.700 0.205 0.000 1.066 377 T CA 1.053 63.277 62.100 0.206 0.000 1.130 377 T CB -0.084 68.909 68.868 0.208 0.000 0.864 377 T HN 0.484 nan 8.240 nan 0.000 0.481 378 I N -0.556 120.102 120.570 0.146 0.000 2.567 378 I HA -0.081 4.088 4.170 -0.001 0.000 0.257 378 I C 1.795 177.976 176.117 0.107 0.000 1.184 378 I CA 0.817 62.157 61.300 0.066 0.000 1.451 378 I CB -0.726 37.209 38.000 -0.108 0.000 1.089 378 I HN 0.479 nan 8.210 nan 0.000 0.441 379 W N 1.569 122.878 121.300 0.015 0.000 2.699 379 W HA 0.002 4.662 4.660 -0.001 0.000 0.265 379 W C 2.321 178.905 176.519 0.108 0.000 1.210 379 W CA 0.396 57.772 57.345 0.052 0.000 1.414 379 W CB 0.018 29.518 29.460 0.067 0.000 1.043 379 W HN -0.157 nan 8.180 nan 0.000 0.599 380 K N 0.182 120.667 120.400 0.142 0.000 2.097 380 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 380 K C -0.070 176.546 176.600 0.027 0.000 1.050 380 K CA 1.028 57.320 56.287 0.008 0.000 0.938 380 K CB -0.360 32.258 32.500 0.197 0.000 0.718 380 K HN -0.041 nan 8.250 nan 0.000 0.442 381 D N 1.122 121.554 120.400 0.054 0.000 2.294 381 D HA 0.051 4.691 4.640 -0.001 0.000 0.250 381 D C -0.660 175.580 176.300 -0.099 0.000 1.058 381 D CA -0.267 53.769 54.000 0.060 0.000 0.950 381 D CB 1.013 41.883 40.800 0.117 0.000 1.158 381 D HN 0.005 nan 8.370 nan 0.000 0.453 382 E N 1.899 122.040 120.200 -0.100 0.000 2.001 382 E HA 0.062 4.411 4.350 -0.001 0.000 0.279 382 E C 0.886 177.397 176.600 -0.149 0.000 1.045 382 E CA -0.517 55.770 56.400 -0.187 0.000 0.833 382 E CB 0.310 29.836 29.700 -0.291 0.000 1.077 382 E HN 0.271 nan 8.360 nan 0.000 0.397 383 I N 4.213 124.638 120.570 -0.243 0.000 2.252 383 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 383 I C 1.206 177.378 176.117 0.090 0.000 1.102 383 I CA 0.894 62.016 61.300 -0.296 0.000 1.385 383 I CB -0.934 36.896 38.000 -0.283 0.000 1.064 383 I HN 0.771 nan 8.210 nan 0.000 0.414 384 F N 0.820 120.721 119.950 -0.082 0.000 2.983 384 F HA -0.181 4.346 4.527 -0.000 0.000 0.288 384 F C 0.238 176.075 175.800 0.060 0.000 0.980 384 F CA 0.240 58.238 58.000 -0.004 0.000 0.965 384 F CB -0.824 38.198 39.000 0.037 0.000 0.967 384 F HN 0.298 nan 8.300 nan 0.000 0.800 385 A N 0.789 123.611 122.820 0.003 0.000 2.536 385 A HA 0.748 5.067 4.320 -0.001 0.000 0.293 385 A C -2.758 174.874 177.584 0.080 0.000 1.119 385 A CA -0.743 51.325 52.037 0.050 0.000 0.654 385 A CB 1.163 20.244 19.000 0.134 0.000 1.291 385 A HN -0.051 nan 8.150 nan 0.000 0.439 386 P HA 0.311 nan 4.420 nan 0.000 0.231 386 P C -0.911 176.629 177.300 0.400 0.000 1.756 386 P CA 0.365 63.685 63.100 0.367 0.000 0.990 386 P CB -0.296 31.624 31.700 0.367 0.000 1.973 387 V N 3.460 123.536 119.914 0.269 0.000 2.443 387 V HA 0.321 4.440 4.120 -0.001 0.000 0.293 387 V C 0.024 176.229 176.094 0.185 0.000 1.021 387 V CA -0.694 61.764 62.300 0.264 0.000 0.848 387 V CB 2.695 34.652 31.823 0.222 0.000 0.998 387 V HN 0.289 nan 8.190 nan 0.000 0.424 388 L N 4.071 125.437 121.223 0.239 0.000 2.333 388 L HA 0.674 5.014 4.340 -0.001 0.000 0.280 388 L C -0.274 176.719 176.870 0.205 0.000 1.004 388 L CA 0.062 54.971 54.840 0.117 0.000 0.820 388 L CB 2.159 44.230 42.059 0.020 0.000 1.247 388 L HN 0.664 nan 8.230 nan 0.000 0.416 389 S N 3.719 119.517 115.700 0.164 0.000 2.475 389 S HA 0.592 5.062 4.470 -0.001 0.000 0.298 389 S C -0.563 174.136 174.600 0.166 0.000 1.119 389 S CA -0.494 57.834 58.200 0.212 0.000 1.085 389 S CB 2.151 65.469 63.200 0.196 0.000 1.028 389 S HN 0.512 nan 8.310 nan 0.000 0.489 390 V N 3.687 123.712 119.914 0.185 0.000 2.769 390 V HA 0.762 4.881 4.120 -0.001 0.000 0.312 390 V C -1.427 174.753 176.094 0.144 0.000 1.061 390 V CA -0.765 61.636 62.300 0.168 0.000 0.931 390 V CB 1.438 33.387 31.823 0.211 0.000 1.010 390 V HN 0.870 nan 8.190 nan 0.000 0.433 391 I N 4.970 125.613 120.570 0.122 0.000 2.569 391 I HA 0.564 4.734 4.170 -0.001 0.000 0.290 391 I C -0.105 176.054 176.117 0.070 0.000 1.088 391 I CA -0.787 60.565 61.300 0.087 0.000 1.047 391 I CB 2.243 40.288 38.000 0.076 0.000 1.237 391 I HN 0.605 nan 8.210 nan 0.000 0.421 392 R N 4.588 125.121 120.500 0.055 0.000 2.390 392 R HA 0.609 4.948 4.340 -0.001 0.000 0.291 392 R C -0.620 175.695 176.300 0.025 0.000 1.070 392 R CA -0.533 55.591 56.100 0.040 0.000 1.014 392 R CB 1.606 31.930 30.300 0.040 0.000 1.007 392 R HN 0.513 nan 8.270 nan 0.000 0.466 393 V N -0.859 119.066 119.914 0.017 0.000 2.962 393 V HA 0.313 4.433 4.120 -0.001 0.000 0.313 393 V C 0.899 176.995 176.094 0.004 0.000 1.099 393 V CA -1.027 61.281 62.300 0.013 0.000 0.971 393 V CB 2.218 34.055 31.823 0.023 0.000 1.028 393 V HN 0.796 nan 8.190 nan 0.000 0.430 394 K N 2.092 122.493 120.400 0.002 0.000 2.057 394 K HA 0.032 4.351 4.320 -0.001 0.000 0.206 394 K C 0.603 177.196 176.600 -0.011 0.000 1.050 394 K CA 1.780 58.065 56.287 -0.005 0.000 0.935 394 K CB 0.057 32.553 32.500 -0.006 0.000 0.715 394 K HN 1.026 nan 8.250 nan 0.000 0.439 395 N N -2.025 116.669 118.700 -0.009 0.000 3.277 395 N HA -0.035 4.705 4.740 -0.001 0.000 0.278 395 N C 0.328 175.836 175.510 -0.004 0.000 1.544 395 N CA -0.607 52.431 53.050 -0.020 0.000 0.869 395 N CB 0.547 39.010 38.487 -0.040 0.000 1.584 395 N HN -0.117 nan 8.380 nan 0.000 0.564 396 L N 1.109 122.323 121.223 -0.016 0.000 2.127 396 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 396 L C 2.463 179.396 176.870 0.105 0.000 1.089 396 L CA 1.894 56.753 54.840 0.032 0.000 0.757 396 L CB -0.650 41.416 42.059 0.013 0.000 0.899 396 L HN 0.788 nan 8.230 nan 0.000 0.434 397 K N -0.546 119.887 120.400 0.055 0.000 2.057 397 K HA -0.237 4.082 4.320 -0.001 0.000 0.206 397 K C 2.166 178.834 176.600 0.113 0.000 1.050 397 K CA 1.674 58.041 56.287 0.135 0.000 0.935 397 K CB -0.173 32.355 32.500 0.046 0.000 0.715 397 K HN 0.549 nan 8.250 nan 0.000 0.439 398 E N -0.208 120.029 120.200 0.063 0.000 2.107 398 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 398 E C 1.757 178.397 176.600 0.066 0.000 0.982 398 E CA 0.830 57.259 56.400 0.049 0.000 0.809 398 E CB -0.071 29.644 29.700 0.025 0.000 0.756 398 E HN 0.418 nan 8.360 nan 0.000 0.459 399 A N 1.332 124.201 122.820 0.081 0.000 1.865 399 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 399 A C 2.155 179.816 177.584 0.129 0.000 1.191 399 A CA 1.442 53.543 52.037 0.107 0.000 0.623 399 A CB -0.691 18.367 19.000 0.096 0.000 0.826 399 A HN 0.332 nan 8.150 nan 0.000 0.444 400 I N -0.311 120.351 120.570 0.154 0.000 2.286 400 I HA -0.261 3.909 4.170 -0.001 0.000 0.248 400 I C 2.427 178.596 176.117 0.086 0.000 1.115 400 I CA 1.538 62.928 61.300 0.151 0.000 1.392 400 I CB -0.488 37.627 38.000 0.191 0.000 1.065 400 I HN 0.464 nan 8.210 nan 0.000 0.418 401 E N 0.975 121.224 120.200 0.081 0.000 2.077 401 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 401 E C 2.291 178.918 176.600 0.044 0.000 0.989 401 E CA 1.220 57.652 56.400 0.054 0.000 0.800 401 E CB -0.070 29.656 29.700 0.044 0.000 0.746 401 E HN 0.503 nan 8.360 nan 0.000 0.452 402 I N 1.296 121.893 120.570 0.045 0.000 2.142 402 I HA -0.266 3.904 4.170 -0.001 0.000 0.240 402 I C 2.631 178.796 176.117 0.079 0.000 1.078 402 I CA 1.006 62.340 61.300 0.056 0.000 1.343 402 I CB -0.378 37.674 38.000 0.086 0.000 1.046 402 I HN 0.082 nan 8.210 nan 0.000 0.405 403 A N 0.907 123.646 122.820 -0.134 0.000 1.908 403 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 403 A C 1.967 179.468 177.584 -0.137 0.000 1.181 403 A CA 2.131 53.852 52.037 -0.527 0.000 0.627 403 A CB -0.772 18.056 19.000 -0.288 0.000 0.818 403 A HN 0.415 nan 8.150 nan 0.000 0.445 404 N N -0.490 118.203 118.700 -0.012 0.000 2.443 404 N HA -0.097 4.642 4.740 -0.001 0.000 0.184 404 N C 1.466 177.025 175.510 0.082 0.000 1.037 404 N CA 1.202 54.272 53.050 0.034 0.000 0.896 404 N CB -0.260 38.246 38.487 0.031 0.000 0.959 404 N HN 0.654 nan 8.380 nan 0.000 0.442 405 K N 0.170 120.663 120.400 0.154 0.000 2.366 405 K HA 0.077 4.397 4.320 -0.001 0.000 0.198 405 K C 0.505 177.323 176.600 0.362 0.000 1.044 405 K CA 0.043 56.478 56.287 0.246 0.000 0.973 405 K CB 0.090 32.736 32.500 0.243 0.000 0.767 405 K HN 0.002 nan 8.250 nan 0.000 0.475 406 S N 0.959 116.828 115.700 0.281 0.000 2.585 406 S HA -0.020 4.450 4.470 -0.001 0.000 0.273 406 S C 0.877 175.437 174.600 -0.066 0.000 1.339 406 S CA -0.305 57.889 58.200 -0.009 0.000 1.028 406 S CB 1.036 64.180 63.200 -0.092 0.000 0.906 406 S HN 0.416 nan 8.310 nan 0.000 0.528 407 E N 2.620 122.670 120.200 -0.250 0.000 2.427 407 E HA 0.062 4.412 4.350 -0.001 0.000 0.196 407 E C -0.410 175.936 176.600 -0.423 0.000 1.028 407 E CA 0.431 56.615 56.400 -0.360 0.000 0.864 407 E CB -0.147 29.248 29.700 -0.509 0.000 0.813 407 E HN 0.575 nan 8.360 nan 0.000 0.514 408 F N 1.004 120.916 119.950 -0.063 0.000 2.399 408 F HA 0.544 5.071 4.527 -0.001 0.000 0.334 408 F C 0.409 176.201 175.800 -0.014 0.000 1.097 408 F CA -0.873 57.098 58.000 -0.048 0.000 1.076 408 F CB 1.827 40.800 39.000 -0.045 0.000 1.162 408 F HN -0.041 nan 8.300 nan 0.000 0.495 409 A N 2.641 125.580 122.820 0.199 0.000 3.448 409 A HA 0.218 4.538 4.320 -0.001 0.000 0.232 409 A C 0.060 177.722 177.584 0.129 0.000 1.018 409 A CA -0.509 51.619 52.037 0.152 0.000 0.996 409 A CB -0.434 18.671 19.000 0.175 0.000 1.283 409 A HN 0.924 nan 8.150 nan 0.000 0.586 410 N N 0.474 119.237 118.700 0.105 0.000 2.255 410 N HA 0.154 4.894 4.740 -0.001 0.000 0.192 410 N C 0.933 176.412 175.510 -0.051 0.000 1.049 410 N CA 1.115 54.184 53.050 0.032 0.000 0.886 410 N CB 0.257 38.779 38.487 0.058 0.000 1.064 410 N HN 0.534 nan 8.380 nan 0.000 0.457 411 G N -0.668 108.126 108.800 -0.011 0.000 2.569 411 G HA2 0.725 4.685 3.960 -0.001 0.000 0.300 411 G HA3 0.725 4.685 3.960 -0.001 0.000 0.300 411 G C -1.851 173.086 174.900 0.061 0.000 1.269 411 G CA -0.328 44.754 45.100 -0.031 0.000 0.959 411 G HN 0.463 nan 8.290 nan 0.000 0.478 412 A N -0.832 122.043 122.820 0.092 0.000 2.574 412 A HA 0.695 5.015 4.320 -0.001 0.000 0.297 412 A C -0.926 176.833 177.584 0.292 0.000 1.062 412 A CA -0.515 51.664 52.037 0.236 0.000 0.686 412 A CB 1.046 20.227 19.000 0.303 0.000 1.285 412 A HN 1.212 nan 8.150 nan 0.000 0.403 413 C N 0.668 120.098 119.300 0.217 0.000 2.802 413 C HA 0.879 5.339 4.460 -0.001 0.000 0.307 413 C C -0.850 173.993 174.990 -0.246 0.000 1.222 413 C CA -0.569 58.466 59.018 0.027 0.000 1.580 413 C CB 1.362 29.146 27.740 0.073 0.000 2.119 413 C HN 0.983 nan 8.230 nan 0.000 0.479 414 L N 1.496 122.408 121.223 -0.517 0.000 2.438 414 L HA 0.704 5.044 4.340 -0.001 0.000 0.270 414 L C -1.644 174.913 176.870 -0.523 0.000 0.972 414 L CA -0.094 54.381 54.840 -0.608 0.000 0.831 414 L CB 0.937 42.350 42.059 -1.076 0.000 1.273 414 L HN 0.632 nan 8.230 nan 0.000 0.405 415 F N 4.205 124.019 119.950 -0.227 0.000 2.347 415 F HA 0.744 5.271 4.527 -0.000 0.000 0.366 415 F C 0.463 176.182 175.800 -0.134 0.000 1.107 415 F CA -0.105 57.806 58.000 -0.149 0.000 1.058 415 F CB 1.767 40.691 39.000 -0.127 0.000 1.236 415 F HN 0.592 nan 8.300 nan 0.000 0.456 416 T N 0.633 115.159 114.554 -0.045 0.000 2.722 416 T HA 0.282 4.631 4.350 -0.001 0.000 0.314 416 T C -0.338 174.336 174.700 -0.043 0.000 1.675 416 T CA -0.452 61.627 62.100 -0.035 0.000 1.003 416 T CB 1.421 70.250 68.868 -0.064 0.000 1.602 416 T HN 0.219 nan 8.240 nan 0.000 0.496 417 S N 1.310 116.994 115.700 -0.025 0.000 2.749 417 S HA 0.297 4.766 4.470 -0.001 0.000 0.246 417 S C -0.023 174.565 174.600 -0.019 0.000 1.023 417 S CA -0.405 57.782 58.200 -0.022 0.000 1.012 417 S CB -0.267 62.928 63.200 -0.008 0.000 0.942 417 S HN 0.597 nan 8.310 nan 0.000 0.531 418 N N 0.900 119.587 118.700 -0.022 0.000 2.462 418 N HA 0.251 4.991 4.740 -0.001 0.000 0.242 418 N C 0.938 176.445 175.510 -0.005 0.000 1.010 418 N CA -0.045 52.997 53.050 -0.014 0.000 0.939 418 N CB 0.702 39.179 38.487 -0.017 0.000 1.127 418 N HN -0.147 nan 8.380 nan 0.000 0.509 419 S N 2.691 118.390 115.700 -0.001 0.000 2.387 419 S HA -0.197 4.273 4.470 -0.001 0.000 0.230 419 S C 1.305 175.921 174.600 0.027 0.000 1.035 419 S CA 1.397 59.602 58.200 0.009 0.000 1.014 419 S CB -0.370 62.832 63.200 0.004 0.000 0.836 419 S HN 0.715 nan 8.310 nan 0.000 0.466 420 N N 1.217 119.931 118.700 0.023 0.000 2.142 420 N HA -0.022 4.718 4.740 -0.001 0.000 0.186 420 N C 1.982 177.538 175.510 0.077 0.000 1.023 420 N CA 0.930 54.004 53.050 0.040 0.000 0.852 420 N CB -0.245 38.249 38.487 0.012 0.000 0.998 420 N HN 0.409 nan 8.380 nan 0.000 0.424 421 A N 1.381 124.231 122.820 0.050 0.000 1.898 421 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 421 A C 2.130 179.804 177.584 0.151 0.000 1.181 421 A CA 0.947 53.030 52.037 0.078 0.000 0.620 421 A CB -0.620 18.386 19.000 0.009 0.000 0.819 421 A HN 0.168 nan 8.150 nan 0.000 0.442 422 I N -0.873 119.754 120.570 0.095 0.000 2.127 422 I HA -0.289 3.881 4.170 -0.001 0.000 0.241 422 I C 2.742 178.962 176.117 0.170 0.000 1.075 422 I CA 1.916 63.292 61.300 0.126 0.000 1.334 422 I CB -0.403 37.627 38.000 0.050 0.000 1.040 422 I HN 0.401 nan 8.210 nan 0.000 0.405 423 R N 0.362 120.930 120.500 0.112 0.000 2.083 423 R HA -0.266 4.073 4.340 -0.001 0.000 0.237 423 R C 2.603 178.957 176.300 0.089 0.000 1.137 423 R CA 1.970 58.114 56.100 0.073 0.000 0.951 423 R CB -0.655 29.678 30.300 0.055 0.000 0.851 423 R HN 0.299 nan 8.270 nan 0.000 0.434 424 Y N 0.562 120.888 120.300 0.044 0.000 2.151 424 Y HA -0.316 4.233 4.550 -0.000 0.000 0.284 424 Y C 1.976 177.922 175.900 0.077 0.000 1.166 424 Y CA 2.161 60.288 58.100 0.045 0.000 1.163 424 Y CB -0.589 37.901 38.460 0.050 0.000 0.974 424 Y HN 0.200 nan 8.280 nan 0.000 0.511 425 F N 1.083 121.074 119.950 0.067 0.000 2.046 425 F HA -0.224 4.303 4.527 -0.000 0.000 0.297 425 F C 2.683 178.420 175.800 -0.105 0.000 1.123 425 F CA 2.333 60.328 58.000 -0.008 0.000 1.199 425 F CB -0.823 38.187 39.000 0.017 0.000 0.972 425 F HN -0.042 nan 8.300 nan 0.000 0.474 426 R N 0.358 120.702 120.500 -0.260 0.000 2.096 426 R HA -0.150 4.190 4.340 -0.001 0.000 0.235 426 R C 2.024 178.115 176.300 -0.349 0.000 1.127 426 R CA 1.711 57.566 56.100 -0.409 0.000 0.968 426 R CB -0.387 29.791 30.300 -0.205 0.000 0.861 426 R HN 0.354 nan 8.270 nan 0.000 0.440 427 E N 0.174 120.210 120.200 -0.274 0.000 2.152 427 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 427 E C 1.298 177.716 176.600 -0.304 0.000 0.983 427 E CA 1.161 57.404 56.400 -0.262 0.000 0.818 427 E CB -0.140 29.430 29.700 -0.217 0.000 0.758 427 E HN 0.494 nan 8.360 nan 0.000 0.467 428 N N -0.111 118.358 118.700 -0.386 0.000 2.322 428 N HA 0.058 4.798 4.740 -0.001 0.000 0.181 428 N C 0.476 175.835 175.510 -0.251 0.000 1.088 428 N CA -0.209 52.637 53.050 -0.340 0.000 0.885 428 N CB 0.569 38.762 38.487 -0.489 0.000 1.013 428 N HN 0.028 nan 8.380 nan 0.000 0.472 429 I N 0.991 121.366 120.570 -0.325 0.000 2.754 429 I HA -0.055 4.115 4.170 -0.001 0.000 0.285 429 I C 0.586 176.573 176.117 -0.218 0.000 1.166 429 I CA 0.232 61.360 61.300 -0.287 0.000 1.417 429 I CB 0.732 38.380 38.000 -0.588 0.000 1.382 429 I HN 0.038 nan 8.210 nan 0.000 0.588 430 D N 5.187 125.528 120.400 -0.099 0.000 2.213 430 D HA 0.125 4.764 4.640 -0.001 0.000 0.205 430 D C 0.666 176.965 176.300 -0.001 0.000 0.961 430 D CA 0.829 54.828 54.000 -0.001 0.000 0.853 430 D CB -0.249 40.615 40.800 0.106 0.000 0.967 430 D HN 0.652 nan 8.370 nan 0.000 0.496 431 A N 0.135 122.929 122.820 -0.042 0.000 2.507 431 A HA 0.386 4.705 4.320 -0.001 0.000 0.235 431 A C 1.500 178.983 177.584 -0.168 0.000 1.070 431 A CA 0.712 52.720 52.037 -0.048 0.000 0.768 431 A CB 0.278 19.252 19.000 -0.043 0.000 1.011 431 A HN 0.249 nan 8.150 nan 0.000 0.502 432 G N 0.026 108.719 108.800 -0.177 0.000 3.020 432 G HA2 0.368 4.327 3.960 -0.001 0.000 0.217 432 G HA3 0.368 4.327 3.960 -0.001 0.000 0.217 432 G C 0.305 174.987 174.900 -0.363 0.000 1.144 432 G CA -0.152 44.766 45.100 -0.302 0.000 0.760 432 G HN 0.561 nan 8.290 nan 0.000 0.548 433 M N 1.730 121.130 119.600 -0.334 0.000 2.018 433 M HA 0.429 4.908 4.480 -0.001 0.000 0.311 433 M C -1.569 174.584 176.300 -0.244 0.000 0.928 433 M CA -0.552 54.522 55.300 -0.376 0.000 0.911 433 M CB 2.176 34.462 32.600 -0.523 0.000 1.447 433 M HN -0.179 nan 8.290 nan 0.000 0.407 434 L N 2.016 123.106 121.223 -0.222 0.000 2.331 434 L HA 0.900 5.239 4.340 -0.001 0.000 0.275 434 L C 0.411 177.242 176.870 -0.065 0.000 1.022 434 L CA -0.460 54.326 54.840 -0.089 0.000 0.812 434 L CB 1.937 43.922 42.059 -0.124 0.000 1.257 434 L HN 0.680 nan 8.230 nan 0.000 0.435 435 G N 2.970 111.779 108.800 0.015 0.000 2.643 435 G HA2 0.652 4.612 3.960 -0.001 0.000 0.305 435 G HA3 0.652 4.612 3.960 -0.001 0.000 0.305 435 G C -1.210 173.599 174.900 -0.152 0.000 1.387 435 G CA -0.286 44.766 45.100 -0.080 0.000 0.982 435 G HN 0.290 nan 8.290 nan 0.000 0.501 436 I N 2.496 122.949 120.570 -0.195 0.000 2.328 436 I HA 0.286 4.456 4.170 -0.001 0.000 0.287 436 I C 0.052 175.924 176.117 -0.408 0.000 1.012 436 I CA -0.754 60.370 61.300 -0.295 0.000 1.195 436 I CB 0.860 38.762 38.000 -0.164 0.000 1.350 436 I HN 0.609 nan 8.210 nan 0.000 0.464 437 N N 4.723 122.936 118.700 -0.811 0.000 2.776 437 N HA -0.169 4.571 4.740 -0.001 0.000 0.249 437 N C -0.847 174.383 175.510 -0.467 0.000 1.111 437 N CA 0.716 53.238 53.050 -0.879 0.000 0.711 437 N CB -1.046 37.255 38.487 -0.309 0.000 1.065 437 N HN 0.553 nan 8.380 nan 0.000 0.556 438 L N -1.288 119.659 121.223 -0.461 0.000 2.431 438 L HA 0.521 4.860 4.340 -0.001 0.000 0.266 438 L C 1.638 178.580 176.870 0.120 0.000 0.978 438 L CA -0.547 54.262 54.840 -0.052 0.000 0.822 438 L CB 1.911 43.930 42.059 -0.067 0.000 1.310 438 L HN 0.040 nan 8.230 nan 0.000 0.409 439 G N 2.024 110.981 108.800 0.263 0.000 2.403 439 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.216 439 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.216 439 G C 0.432 175.412 174.900 0.134 0.000 1.154 439 G CA 0.492 45.745 45.100 0.255 0.000 0.784 439 G HN 0.265 nan 8.290 nan 0.000 0.538 440 V N 2.681 122.649 119.914 0.089 0.000 2.313 440 V HA 0.271 4.391 4.120 -0.001 0.000 0.278 440 V C -1.506 174.598 176.094 0.017 0.000 1.017 440 V CA -1.235 61.101 62.300 0.060 0.000 0.823 440 V CB 2.048 33.916 31.823 0.075 0.000 1.010 440 V HN 0.172 nan 8.190 nan 0.000 0.443 441 P HA 0.138 nan 4.420 nan 0.000 0.258 441 P C 0.342 177.552 177.300 -0.150 0.000 1.403 441 P CA -0.010 63.039 63.100 -0.085 0.000 0.826 441 P CB 0.281 31.929 31.700 -0.086 0.000 1.414 442 A N 2.889 125.663 122.820 -0.077 0.000 2.484 442 A HA 0.347 4.666 4.320 -0.001 0.000 0.268 442 A C -1.594 175.929 177.584 -0.101 0.000 1.114 442 A CA -0.978 51.027 52.037 -0.053 0.000 0.780 442 A CB -0.670 18.419 19.000 0.148 0.000 1.061 442 A HN 0.206 nan 8.150 nan 0.000 0.505 443 P HA 0.216 nan 4.420 nan 0.000 0.277 443 P C -0.122 177.086 177.300 -0.154 0.000 1.240 443 P CA -0.293 62.679 63.100 -0.213 0.000 0.798 443 P CB 0.641 32.140 31.700 -0.335 0.000 0.979 444 M N 1.405 120.869 119.600 -0.227 0.000 2.245 444 M HA 0.109 4.588 4.480 -0.001 0.000 0.330 444 M C 1.818 177.682 176.300 -0.726 0.000 1.098 444 M CA -0.197 54.782 55.300 -0.534 0.000 1.172 444 M CB 0.535 32.586 32.600 -0.914 0.000 1.467 444 M HN 0.490 nan 8.290 nan 0.000 0.454 445 A N 2.658 125.082 122.820 -0.660 0.000 1.985 445 A HA -0.214 4.106 4.320 -0.001 0.000 0.223 445 A C 1.406 178.453 177.584 -0.896 0.000 1.189 445 A CA 2.152 53.850 52.037 -0.564 0.000 0.658 445 A CB -1.079 17.744 19.000 -0.296 0.000 0.820 445 A HN 0.854 nan 8.150 nan 0.000 0.464 446 F N -3.312 116.093 119.950 -0.909 0.000 2.771 446 F HA 0.457 4.984 4.527 -0.001 0.000 0.299 446 F C 0.272 175.496 175.800 -0.959 0.000 1.177 446 F CA -0.666 56.440 58.000 -1.489 0.000 1.450 446 F CB -0.969 37.386 39.000 -1.074 0.000 1.114 446 F HN 0.047 nan 8.300 nan 0.000 0.587 447 F N 2.393 122.083 119.950 -0.434 0.000 2.508 447 F HA 0.497 5.024 4.527 -0.001 0.000 0.325 447 F C -2.179 173.465 175.800 -0.261 0.000 1.090 447 F CA -3.054 54.800 58.000 -0.243 0.000 0.945 447 F CB 1.759 40.620 39.000 -0.232 0.000 1.156 447 F HN -0.334 nan 8.300 nan 0.000 0.463 448 P HA -0.039 nan 4.420 nan 0.000 0.271 448 P C -0.518 176.673 177.300 -0.182 0.000 1.216 448 P CA -0.011 63.053 63.100 -0.061 0.000 0.776 448 P CB 0.620 32.324 31.700 0.006 0.000 0.881 449 F N 3.038 122.729 119.950 -0.431 0.000 2.661 449 F HA 0.071 4.598 4.527 -0.001 0.000 0.356 449 F C 0.599 176.001 175.800 -0.663 0.000 1.244 449 F CA -0.138 57.539 58.000 -0.539 0.000 1.290 449 F CB -0.449 38.097 39.000 -0.757 0.000 1.677 449 F HN 0.138 nan 8.300 nan 0.000 0.649 450 S N 2.186 117.371 115.700 -0.858 0.000 2.494 450 S HA 0.577 5.047 4.470 -0.001 0.000 0.312 450 S C 0.595 174.672 174.600 -0.872 0.000 1.121 450 S CA -0.434 56.920 58.200 -1.411 0.000 1.068 450 S CB 0.455 63.087 63.200 -0.948 0.000 1.141 450 S HN 0.592 nan 8.310 nan 0.000 0.527 451 G N 2.030 110.435 108.800 -0.659 0.000 2.557 451 G HA2 0.597 4.556 3.960 -0.001 0.000 0.302 451 G HA3 0.597 4.556 3.960 -0.001 0.000 0.302 451 G C -1.186 173.849 174.900 0.225 0.000 1.311 451 G CA -1.138 43.876 45.100 -0.143 0.000 1.030 451 G HN 0.726 nan 8.290 nan 0.000 0.509 452 W N -0.679 120.621 121.300 -0.000 0.000 3.025 452 W HA 0.372 5.031 4.660 -0.001 0.000 0.343 452 W C -0.212 176.319 176.519 0.020 0.000 1.246 452 W CA -0.637 56.744 57.345 0.060 0.000 1.178 452 W CB 1.427 30.882 29.460 -0.007 0.000 1.463 452 W HN 0.788 nan 8.180 nan 0.000 0.578 453 K N -0.005 120.028 120.400 -0.611 0.000 1.844 453 K HA -0.271 4.048 4.320 -0.001 0.000 0.160 453 K C 0.818 177.175 176.600 -0.405 0.000 1.448 453 K CA 1.661 57.649 56.287 -0.500 0.000 0.446 453 K CB -1.685 30.664 32.500 -0.252 0.000 0.635 453 K HN 0.406 nan 8.250 nan 0.000 0.848 454 S N 0.780 116.304 115.700 -0.293 0.000 2.653 454 S HA 0.003 4.472 4.470 -0.001 0.000 0.233 454 S C 1.324 175.779 174.600 -0.241 0.000 0.970 454 S CA 1.008 59.020 58.200 -0.313 0.000 0.947 454 S CB -0.098 62.893 63.200 -0.348 0.000 0.771 454 S HN 0.400 nan 8.310 nan 0.000 0.538 455 S N 0.315 115.929 115.700 -0.143 0.000 2.503 455 S HA 0.338 4.808 4.470 -0.001 0.000 0.215 455 S C -0.108 174.468 174.600 -0.039 0.000 1.003 455 S CA -0.211 57.999 58.200 0.016 0.000 0.910 455 S CB 0.218 63.501 63.200 0.139 0.000 0.790 455 S HN 0.555 nan 8.310 nan 0.000 0.514 456 F N 0.934 120.618 119.950 -0.444 0.000 2.581 456 F HA 0.599 5.125 4.527 -0.001 0.000 0.311 456 F C -2.206 173.215 175.800 -0.632 0.000 1.113 456 F CA -1.983 55.818 58.000 -0.333 0.000 0.935 456 F CB 1.067 40.099 39.000 0.055 0.000 1.232 456 F HN -0.076 nan 8.300 nan 0.000 0.445 457 F N 4.800 124.054 119.950 -1.159 0.000 2.539 457 F HA 0.704 5.231 4.527 -0.001 0.000 0.328 457 F C 0.466 175.291 175.800 -1.625 0.000 1.148 457 F CA -0.244 56.956 58.000 -1.333 0.000 0.940 457 F CB 1.779 40.156 39.000 -1.038 0.000 1.194 457 F HN 0.890 nan 8.300 nan 0.000 0.438 458 G N 1.782 109.883 108.800 -1.165 0.000 2.278 458 G HA2 0.063 4.022 3.960 -0.001 0.000 0.265 458 G HA3 0.063 4.022 3.960 -0.001 0.000 0.265 458 G C -0.176 174.701 174.900 -0.039 0.000 1.329 458 G CA -0.071 44.794 45.100 -0.392 0.000 1.017 458 G HN 0.429 nan 8.290 nan 0.000 0.472 459 T N -0.165 114.550 114.554 0.269 0.000 3.138 459 T HA 0.387 4.737 4.350 -0.001 0.000 0.245 459 T C 0.934 175.754 174.700 0.199 0.000 0.982 459 T CA 0.507 62.783 62.100 0.292 0.000 1.134 459 T CB 0.028 69.028 68.868 0.220 0.000 1.032 459 T HN 0.397 nan 8.240 nan 0.000 0.442 460 L N 2.416 123.732 121.223 0.156 0.000 2.309 460 L HA 0.469 4.809 4.340 -0.001 0.000 0.282 460 L C 0.320 177.026 176.870 -0.274 0.000 1.036 460 L CA -1.049 53.739 54.840 -0.086 0.000 0.806 460 L CB 1.168 43.276 42.059 0.083 0.000 1.220 460 L HN 0.315 nan 8.230 nan 0.000 0.429 461 H N 1.165 120.081 119.070 -0.257 0.000 2.417 461 H HA 0.478 5.034 4.556 -0.001 0.000 0.325 461 H C -0.032 175.150 175.328 -0.243 0.000 1.549 461 H CA -0.586 55.241 56.048 -0.369 0.000 1.476 461 H CB 0.945 30.418 29.762 -0.482 0.000 1.732 461 H HN 0.666 nan 8.280 nan 0.000 0.695 462 A N -0.030 122.747 122.820 -0.072 0.000 2.286 462 A HA 0.337 4.656 4.320 -0.001 0.000 0.286 462 A C 0.182 177.639 177.584 -0.212 0.000 1.097 462 A CA -0.173 51.766 52.037 -0.164 0.000 0.821 462 A CB -0.310 18.529 19.000 -0.268 0.000 1.076 462 A HN 0.961 nan 8.150 nan 0.000 0.490 463 N N -1.123 117.491 118.700 -0.144 0.000 6.481 463 N HA -0.010 4.730 4.740 -0.001 0.000 0.407 463 N C 0.508 176.040 175.510 0.037 0.000 0.969 463 N CA 0.904 53.906 53.050 -0.079 0.000 1.867 463 N CB -0.738 37.555 38.487 -0.324 0.000 0.742 463 N HN 2.382 nan 8.380 nan 0.000 0.489 464 G N -0.271 108.550 108.800 0.036 0.000 2.692 464 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.248 464 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.248 464 G C 0.237 175.339 174.900 0.336 0.000 1.340 464 G CA 0.692 45.824 45.100 0.053 0.000 0.896 464 G HN 0.733 nan 8.290 nan 0.000 0.570 465 K N -0.033 120.513 120.400 0.243 0.000 2.365 465 K HA 0.010 4.330 4.320 -0.001 0.000 0.199 465 K C 1.800 178.488 176.600 0.146 0.000 1.045 465 K CA 1.206 57.620 56.287 0.211 0.000 0.962 465 K CB -0.065 32.523 32.500 0.146 0.000 0.759 465 K HN 0.434 nan 8.250 nan 0.000 0.469 466 D N 0.801 121.270 120.400 0.116 0.000 2.097 466 D HA -0.154 4.486 4.640 -0.001 0.000 0.195 466 D C 2.074 178.422 176.300 0.081 0.000 0.989 466 D CA 1.780 55.828 54.000 0.079 0.000 0.827 466 D CB -0.225 40.597 40.800 0.038 0.000 0.966 466 D HN 0.173 nan 8.370 nan 0.000 0.456 467 S N -0.187 115.555 115.700 0.070 0.000 2.400 467 S HA -0.142 4.327 4.470 -0.001 0.000 0.232 467 S C 2.198 176.851 174.600 0.090 0.000 1.025 467 S CA 1.044 59.248 58.200 0.006 0.000 0.993 467 S CB -0.717 62.537 63.200 0.089 0.000 0.808 467 S HN 0.103 nan 8.310 nan 0.000 0.478 468 V N 2.729 122.736 119.914 0.155 0.000 2.295 468 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 468 V C 2.519 178.709 176.094 0.161 0.000 1.049 468 V CA 2.205 64.602 62.300 0.161 0.000 1.024 468 V CB -0.772 31.113 31.823 0.105 0.000 0.648 468 V HN 0.474 nan 8.190 nan 0.000 0.447 469 D N -0.842 119.643 120.400 0.142 0.000 2.183 469 D HA -0.121 4.519 4.640 -0.001 0.000 0.203 469 D C 1.875 178.268 176.300 0.154 0.000 0.969 469 D CA 1.002 55.084 54.000 0.137 0.000 0.842 469 D CB -0.131 40.744 40.800 0.125 0.000 0.957 469 D HN 0.455 nan 8.370 nan 0.000 0.484 470 F N 0.276 120.219 119.950 -0.011 0.000 2.234 470 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 470 F C 1.446 177.273 175.800 0.046 0.000 1.087 470 F CA 1.090 59.060 58.000 -0.050 0.000 1.340 470 F CB -0.209 38.664 39.000 -0.211 0.000 1.031 470 F HN -0.015 nan 8.300 nan 0.000 0.500 471 Y N 0.077 120.459 120.300 0.137 0.000 2.532 471 Y HA 0.178 4.728 4.550 -0.001 0.000 0.283 471 Y C 0.572 176.508 175.900 0.061 0.000 1.181 471 Y CA -0.173 57.973 58.100 0.078 0.000 1.256 471 Y CB -0.154 38.428 38.460 0.203 0.000 1.112 471 Y HN -0.037 nan 8.280 nan 0.000 0.521 472 T N -1.368 113.291 114.554 0.176 0.000 2.787 472 T HA 0.759 5.108 4.350 -0.001 0.000 0.297 472 T C -0.902 173.866 174.700 0.113 0.000 1.221 472 T CA -1.138 61.056 62.100 0.157 0.000 1.006 472 T CB 2.667 71.632 68.868 0.161 0.000 1.328 472 T HN 0.242 nan 8.240 nan 0.000 0.509 473 R N -0.267 120.322 120.500 0.148 0.000 2.774 473 R HA 0.800 5.140 4.340 -0.001 0.000 0.272 473 R C -1.497 174.918 176.300 0.191 0.000 1.000 473 R CA -1.072 55.104 56.100 0.127 0.000 0.906 473 R CB 1.375 31.727 30.300 0.088 0.000 1.227 473 R HN 0.705 nan 8.270 nan 0.000 0.468 474 K N 1.094 121.590 120.400 0.159 0.000 2.221 474 K HA 0.512 4.831 4.320 -0.001 0.000 0.243 474 K C -0.969 175.742 176.600 0.184 0.000 0.968 474 K CA -1.139 55.271 56.287 0.205 0.000 0.846 474 K CB 2.131 34.719 32.500 0.146 0.000 1.141 474 K HN 0.442 nan 8.250 nan 0.000 0.434 475 K N 1.286 121.842 120.400 0.260 0.000 2.471 475 K HA 0.329 4.648 4.320 -0.001 0.000 0.252 475 K C -1.475 175.276 176.600 0.251 0.000 0.938 475 K CA -0.769 55.632 56.287 0.190 0.000 0.796 475 K CB 2.479 35.054 32.500 0.126 0.000 1.161 475 K HN 0.293 nan 8.250 nan 0.000 0.425 476 V N 3.723 123.734 119.914 0.161 0.000 2.483 476 V HA 0.474 4.594 4.120 -0.001 0.000 0.295 476 V C -1.029 175.152 176.094 0.144 0.000 1.035 476 V CA -0.512 61.878 62.300 0.150 0.000 0.896 476 V CB 1.621 33.494 31.823 0.083 0.000 0.986 476 V HN 0.474 nan 8.190 nan 0.000 0.447 477 V N 5.814 125.836 119.914 0.180 0.000 2.407 477 V HA 0.466 4.586 4.120 -0.001 0.000 0.291 477 V C 0.062 176.212 176.094 0.093 0.000 1.018 477 V CA -0.333 62.053 62.300 0.144 0.000 0.842 477 V CB 1.855 33.803 31.823 0.209 0.000 0.996 477 V HN 0.978 nan 8.190 nan 0.000 0.426 478 T N 4.747 119.323 114.554 0.037 0.000 2.758 478 T HA 0.771 5.120 4.350 -0.001 0.000 0.285 478 T C 0.011 174.673 174.700 -0.063 0.000 0.981 478 T CA -0.236 61.861 62.100 -0.005 0.000 0.965 478 T CB 1.484 70.345 68.868 -0.011 0.000 0.927 478 T HN 0.893 nan 8.240 nan 0.000 0.448 479 A N 3.370 126.112 122.820 -0.130 0.000 2.413 479 A HA 0.865 5.185 4.320 -0.001 0.000 0.307 479 A C -0.464 176.840 177.584 -0.467 0.000 1.087 479 A CA -1.028 50.799 52.037 -0.351 0.000 0.750 479 A CB 1.464 20.163 19.000 -0.503 0.000 1.296 479 A HN 0.763 nan 8.150 nan 0.000 0.423 480 R N 1.315 121.474 120.500 -0.568 0.000 2.388 480 R HA 0.548 4.887 4.340 -0.001 0.000 0.314 480 R C -2.123 173.915 176.300 -0.436 0.000 0.959 480 R CA -0.254 55.619 56.100 -0.378 0.000 0.851 480 R CB 0.643 30.836 30.300 -0.179 0.000 1.168 480 R HN 0.729 nan 8.270 nan 0.000 0.472 481 Y N 5.234 125.541 120.300 0.012 0.000 2.686 481 Y HA 0.329 4.879 4.550 -0.001 0.000 0.331 481 Y C -1.892 174.012 175.900 0.006 0.000 0.996 481 Y CA -2.521 55.585 58.100 0.010 0.000 1.293 481 Y CB 1.458 39.928 38.460 0.016 0.000 1.092 481 Y HN 0.520 nan 8.280 nan 0.000 0.524 482 P HA -0.026 nan 4.420 nan 0.000 0.264 482 P C -0.273 177.061 177.300 0.056 0.000 1.183 482 P CA 0.056 63.191 63.100 0.060 0.000 0.763 482 P CB 0.745 32.462 31.700 0.028 0.000 0.807 483 A N 5.677 128.524 122.820 0.045 0.000 2.491 483 A HA 0.310 4.630 4.320 -0.001 0.000 0.261 483 A C -1.505 176.058 177.584 -0.035 0.000 1.101 483 A CA -0.840 51.223 52.037 0.044 0.000 0.772 483 A CB -1.007 18.035 19.000 0.070 0.000 1.043 483 A HN 0.443 nan 8.150 nan 0.000 0.501 484 P HA 0.198 nan 4.420 nan 0.000 0.272 484 P C -0.907 176.055 177.300 -0.564 0.000 1.230 484 P CA -0.242 62.648 63.100 -0.351 0.000 0.788 484 P CB 0.707 32.132 31.700 -0.459 0.000 0.949 485 D N 0.815 120.905 120.400 -0.517 0.000 2.193 485 D HA 0.429 5.069 4.640 -0.001 0.000 0.249 485 D C 0.033 175.971 176.300 -0.603 0.000 1.034 485 D CA 0.212 53.989 54.000 -0.372 0.000 0.902 485 D CB 0.787 41.492 40.800 -0.159 0.000 1.182 485 D HN 0.238 nan 8.370 nan 0.000 0.436 486 F N 0.000 119.953 119.950 0.006 0.000 2.286 486 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 486 F CA 0.000 58.002 58.000 0.004 0.000 1.383 486 F CB 0.000 39.002 39.000 0.003 0.000 1.145 486 F HN 0.000 nan 8.300 nan 0.000 0.574