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 2whi_1_C DATA FIRST_RESID 3 DATA SEQUENCE EKTPDDVFKL AKDEKVEYVD VRFCDLPGIM QHFTIPASAF DKSVFDDGLA DATA SEQUENCE FDGSSIRGFQ SIHESDMLLL PDPETARIDP FRAAKTLNIN FFVHDPFTLE DATA SEQUENCE PYSRDPRNIA RKAENYLIST GIADTAYFGA EAEFYIFDSV SFDSRANGSF DATA SEQUENCE YEVDAISGWW NTGAATEADG SPNRGYKVRH KGGYFPVAPN DQYVDLRDKM DATA SEQUENCE LTNLINSGFI LEKGHHEVGS GGQAEINYQF NSLLHAADDM QLYKYIIKNT DATA SEQUENCE AWQNGKTVTF MPKPLFGDNG SGMHCHQSLW KDGAPLMYDE TGYAGLSDTA DATA SEQUENCE RHYIGGLLHH APSLLAFTNP TVNSYKRLVP GYEAPINLVY SQRNRSACVR DATA SEQUENCE IPITGSNPKA KRLEFRSPDS SGNPYLAFSA MLMAGLDGIK NKIEPQAPVD DATA SEQUENCE KDLYELPPEE AASIPQTPTQ LSDVIDRLEA DHEYLTEGGV FTNDLIETWI DATA SEQUENCE SFKRENEIEP VNIRPHPYEF ALYYDV 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 0.000 176.607 176.600 0.011 0.000 1.382 3 E CA 0.000 56.418 56.400 0.030 0.000 0.976 3 E CB 0.000 29.715 29.700 0.024 0.000 0.812 4 K N 2.149 122.551 120.400 0.003 0.000 2.414 4 K HA 0.157 4.479 4.320 0.004 0.000 0.272 4 K C 0.502 177.097 176.600 -0.009 0.000 0.993 4 K CA 0.728 57.010 56.287 -0.010 0.000 0.964 4 K CB 0.647 33.137 32.500 -0.017 0.000 0.925 4 K HN 0.137 nan 8.250 nan 0.000 0.487 5 T N -0.589 113.943 114.554 -0.037 0.000 2.950 5 T HA 0.282 4.635 4.350 0.004 0.000 0.288 5 T C -2.074 172.524 174.700 -0.170 0.000 1.035 5 T CA -2.176 59.880 62.100 -0.074 0.000 1.028 5 T CB 1.669 70.495 68.868 -0.070 0.000 1.109 5 T HN 0.179 nan 8.240 nan 0.000 0.514 6 P HA -0.099 nan 4.420 nan 0.000 0.216 6 P C 0.846 177.768 177.300 -0.631 0.000 1.154 6 P CA 1.179 63.740 63.100 -0.899 0.000 0.865 6 P CB -0.019 30.965 31.700 -1.194 0.000 0.789 7 D N -1.313 118.952 120.400 -0.224 0.000 2.178 7 D HA -0.121 4.522 4.640 0.004 0.000 0.202 7 D C 1.547 177.854 176.300 0.011 0.000 0.974 7 D CA 0.877 54.891 54.000 0.022 0.000 0.841 7 D CB -0.707 40.108 40.800 0.024 0.000 0.953 7 D HN 0.145 nan 8.370 nan 0.000 0.478 8 D N -0.185 120.186 120.400 -0.048 0.000 2.117 8 D HA -0.104 4.539 4.640 0.004 0.000 0.197 8 D C 2.204 178.501 176.300 -0.005 0.000 0.987 8 D CA 0.563 54.551 54.000 -0.019 0.000 0.829 8 D CB -0.116 40.667 40.800 -0.029 0.000 0.961 8 D HN 0.109 nan 8.370 nan 0.000 0.460 9 V N 0.757 120.637 119.914 -0.057 0.000 2.379 9 V HA -0.201 3.921 4.120 0.004 0.000 0.245 9 V C 2.195 178.350 176.094 0.103 0.000 1.044 9 V CA 1.095 63.395 62.300 0.000 0.000 1.036 9 V CB -0.593 31.249 31.823 0.031 0.000 0.664 9 V HN 0.018 nan 8.190 nan 0.000 0.453 10 F N 0.855 120.884 119.950 0.133 0.000 2.126 10 F HA -0.160 4.370 4.527 0.005 0.000 0.299 10 F C 2.400 178.247 175.800 0.079 0.000 1.096 10 F CA 1.813 59.878 58.000 0.108 0.000 1.255 10 F CB -0.663 38.311 39.000 -0.042 0.000 0.997 10 F HN 0.088 nan 8.300 nan 0.000 0.479 11 K N 0.285 120.815 120.400 0.217 0.000 2.057 11 K HA -0.180 4.142 4.320 0.004 0.000 0.206 11 K C 2.170 178.830 176.600 0.101 0.000 1.050 11 K CA 1.066 57.428 56.287 0.125 0.000 0.935 11 K CB -0.456 32.089 32.500 0.075 0.000 0.715 11 K HN 0.204 nan 8.250 nan 0.000 0.439 12 L N 1.177 122.455 121.223 0.091 0.000 2.042 12 L HA -0.127 4.216 4.340 0.004 0.000 0.210 12 L C 2.197 179.116 176.870 0.081 0.000 1.076 12 L CA 2.140 57.019 54.840 0.065 0.000 0.749 12 L CB -0.718 41.366 42.059 0.042 0.000 0.893 12 L HN 0.223 nan 8.230 nan 0.000 0.432 13 A N -0.766 122.137 122.820 0.138 0.000 1.902 13 A HA -0.252 4.070 4.320 0.004 0.000 0.217 13 A C 2.475 180.132 177.584 0.122 0.000 1.181 13 A CA 1.985 54.112 52.037 0.149 0.000 0.623 13 A CB -0.594 18.580 19.000 0.291 0.000 0.818 13 A HN 0.504 nan 8.150 nan 0.000 0.443 14 K N -0.610 119.868 120.400 0.131 0.000 2.025 14 K HA -0.168 4.155 4.320 0.004 0.000 0.207 14 K C 1.373 178.005 176.600 0.054 0.000 1.049 14 K CA 1.568 57.906 56.287 0.086 0.000 0.933 14 K CB -0.182 32.366 32.500 0.080 0.000 0.714 14 K HN 0.365 nan 8.250 nan 0.000 0.438 15 D N 0.857 121.288 120.400 0.051 0.000 2.144 15 D HA -0.135 4.507 4.640 0.004 0.000 0.199 15 D C 1.530 177.844 176.300 0.024 0.000 0.984 15 D CA 1.016 55.035 54.000 0.032 0.000 0.834 15 D CB 0.003 40.820 40.800 0.028 0.000 0.955 15 D HN 0.233 nan 8.370 nan 0.000 0.465 16 E N 0.512 120.728 120.200 0.028 0.000 2.502 16 E HA -0.016 4.337 4.350 0.004 0.000 0.194 16 E C 0.063 176.672 176.600 0.015 0.000 1.062 16 E CA 0.055 56.466 56.400 0.017 0.000 0.867 16 E CB 0.161 29.869 29.700 0.014 0.000 0.888 16 E HN 0.354 nan 8.360 nan 0.000 0.510 17 K N 0.292 120.704 120.400 0.020 0.000 3.257 17 K HA -0.147 4.175 4.320 0.004 0.000 0.270 17 K C -0.287 176.313 176.600 0.000 0.000 0.984 17 K CA 0.113 56.407 56.287 0.011 0.000 0.739 17 K CB -2.082 30.422 32.500 0.005 0.000 1.351 17 K HN -0.047 nan 8.250 nan 0.000 0.463 18 V N 1.481 121.400 119.914 0.008 0.000 2.585 18 V HA -0.075 4.048 4.120 0.004 0.000 0.296 18 V C 1.738 177.796 176.094 -0.061 0.000 1.035 18 V CA 0.673 62.968 62.300 -0.008 0.000 1.084 18 V CB 1.119 32.948 31.823 0.010 0.000 0.953 18 V HN 0.377 nan 8.190 nan 0.000 0.483 19 E N 3.015 123.140 120.200 -0.125 0.000 2.166 19 E HA 0.102 4.454 4.350 0.004 0.000 0.192 19 E C -0.821 175.397 176.600 -0.637 0.000 0.967 19 E CA 0.702 56.872 56.400 -0.383 0.000 0.840 19 E CB 0.417 29.858 29.700 -0.432 0.000 0.795 19 E HN 0.705 nan 8.360 nan 0.000 0.470 20 Y N -0.771 119.538 120.300 0.015 0.000 2.553 20 Y HA 0.407 4.959 4.550 0.004 0.000 0.347 20 Y C -0.568 175.297 175.900 -0.059 0.000 1.019 20 Y CA -1.174 56.925 58.100 -0.001 0.000 1.032 20 Y CB 1.692 40.157 38.460 0.008 0.000 1.284 20 Y HN -0.347 nan 8.280 nan 0.000 0.466 21 V N 1.706 121.664 119.914 0.072 0.000 2.409 21 V HA 0.272 4.395 4.120 0.004 0.000 0.291 21 V C -1.068 174.957 176.094 -0.115 0.000 1.020 21 V CA -0.806 61.419 62.300 -0.125 0.000 0.848 21 V CB 1.618 33.214 31.823 -0.378 0.000 0.990 21 V HN 0.706 nan 8.190 nan 0.000 0.430 22 D N 3.548 123.866 120.400 -0.136 0.000 2.359 22 D HA 0.395 5.037 4.640 0.004 0.000 0.230 22 D C -0.429 175.707 176.300 -0.273 0.000 1.118 22 D CA -0.062 53.839 54.000 -0.167 0.000 0.844 22 D CB 1.468 42.212 40.800 -0.093 0.000 1.059 22 D HN 0.296 nan 8.370 nan 0.000 0.493 23 V N 5.635 125.228 119.914 -0.534 0.000 2.408 23 V HA 0.361 4.483 4.120 0.004 0.000 0.267 23 V C 0.528 176.271 176.094 -0.586 0.000 1.047 23 V CA -0.231 61.595 62.300 -0.790 0.000 0.937 23 V CB 0.599 31.474 31.823 -1.580 0.000 0.999 23 V HN 0.451 nan 8.190 nan 0.000 0.472 24 R N 5.000 125.337 120.500 -0.272 0.000 2.670 24 R HA 0.809 5.151 4.340 0.004 0.000 0.289 24 R C -1.053 175.241 176.300 -0.010 0.000 0.965 24 R CA -0.510 55.474 56.100 -0.194 0.000 0.899 24 R CB 2.427 32.611 30.300 -0.193 0.000 1.173 24 R HN 0.697 nan 8.270 nan 0.000 0.456 25 F N -1.712 118.124 119.950 -0.190 0.000 2.711 25 F HA 0.569 5.098 4.527 0.003 0.000 0.313 25 F C -1.113 174.607 175.800 -0.133 0.000 1.141 25 F CA -1.395 56.511 58.000 -0.157 0.000 0.941 25 F CB 0.857 39.757 39.000 -0.167 0.000 1.349 25 F HN 0.447 nan 8.300 nan 0.000 0.464 26 C N 3.124 122.466 119.300 0.070 0.000 2.330 26 C HA 0.567 5.030 4.460 0.004 0.000 0.344 26 C C -0.196 174.857 174.990 0.104 0.000 1.273 26 C CA -0.360 58.659 59.018 0.003 0.000 1.879 26 C CB -0.449 27.285 27.740 -0.009 0.000 2.376 26 C HN 0.928 nan 8.230 nan 0.000 0.534 27 D N 3.522 123.871 120.400 -0.085 0.000 2.433 27 D HA 0.072 4.714 4.640 0.004 0.000 0.255 27 D C 0.866 177.206 176.300 0.067 0.000 1.226 27 D CA -0.637 53.258 54.000 -0.175 0.000 1.015 27 D CB 0.336 40.950 40.800 -0.311 0.000 1.091 27 D HN 0.349 nan 8.370 nan 0.000 0.527 28 L N 0.064 121.348 121.223 0.102 0.000 2.027 28 L HA 0.066 4.408 4.340 0.004 0.000 0.206 28 L C -0.978 176.049 176.870 0.263 0.000 1.074 28 L CA 1.483 56.470 54.840 0.244 0.000 0.745 28 L CB -1.487 40.740 42.059 0.281 0.000 0.898 28 L HN 0.391 nan 8.230 nan 0.000 0.433 29 P HA -0.027 nan 4.420 nan 0.000 0.218 29 P C 0.538 177.942 177.300 0.172 0.000 1.148 29 P CA 1.936 65.045 63.100 0.015 0.000 0.822 29 P CB -0.022 31.545 31.700 -0.223 0.000 0.784 30 G N -3.159 105.702 108.800 0.102 0.000 2.174 30 G HA2 -0.092 3.871 3.960 0.004 0.000 0.140 30 G HA3 -0.092 3.871 3.960 0.004 0.000 0.140 30 G C -0.248 174.669 174.900 0.028 0.000 1.031 30 G CA -0.640 44.523 45.100 0.104 0.000 0.728 30 G HN 0.069 nan 8.290 nan 0.000 0.496 31 I N 2.107 122.664 120.570 -0.022 0.000 2.353 31 I HA 0.473 4.645 4.170 0.004 0.000 0.293 31 I C 0.737 176.780 176.117 -0.124 0.000 0.992 31 I CA -0.808 60.451 61.300 -0.068 0.000 1.268 31 I CB 1.247 39.201 38.000 -0.077 0.000 1.387 31 I HN -0.011 nan 8.210 nan 0.000 0.478 32 M N 5.414 124.930 119.600 -0.140 0.000 2.233 32 M HA 0.212 4.694 4.480 0.004 0.000 0.350 32 M C 0.102 176.212 176.300 -0.317 0.000 1.176 32 M CA -0.152 55.012 55.300 -0.226 0.000 1.150 32 M CB 0.470 32.948 32.600 -0.203 0.000 1.530 32 M HN 0.404 nan 8.290 nan 0.000 0.459 33 Q N 2.108 121.584 119.800 -0.541 0.000 2.301 33 Q HA 0.602 4.945 4.340 0.004 0.000 0.267 33 Q C -0.790 174.908 176.000 -0.502 0.000 1.035 33 Q CA -0.517 54.915 55.803 -0.619 0.000 0.856 33 Q CB 2.342 30.387 28.738 -1.154 0.000 1.337 33 Q HN 0.890 nan 8.270 nan 0.000 0.450 34 H N -1.224 117.597 119.070 -0.414 0.000 3.046 34 H HA 0.752 5.310 4.556 0.004 0.000 0.361 34 H C -1.347 173.934 175.328 -0.077 0.000 1.235 34 H CA -0.968 54.893 56.048 -0.312 0.000 1.146 34 H CB 1.264 30.846 29.762 -0.301 0.000 1.859 34 H HN 0.506 nan 8.280 nan 0.000 0.548 35 F N -0.842 118.905 119.950 -0.338 0.000 2.643 35 F HA 0.773 5.303 4.527 0.005 0.000 0.314 35 F C -1.533 174.154 175.800 -0.188 0.000 1.096 35 F CA -1.008 56.784 58.000 -0.346 0.000 0.953 35 F CB 1.849 40.719 39.000 -0.215 0.000 1.345 35 F HN 0.626 nan 8.300 nan 0.000 0.468 36 T N 3.067 117.632 114.554 0.019 0.000 2.829 36 T HA 0.696 5.049 4.350 0.004 0.000 0.280 36 T C -0.499 174.269 174.700 0.114 0.000 0.999 36 T CA -0.513 61.575 62.100 -0.019 0.000 0.983 36 T CB 1.413 70.243 68.868 -0.063 0.000 0.968 36 T HN 0.782 nan 8.240 nan 0.000 0.446 37 I N 0.885 121.521 120.570 0.111 0.000 2.646 37 I HA 0.758 4.930 4.170 0.004 0.000 0.299 37 I C -2.810 173.471 176.117 0.273 0.000 1.036 37 I CA -3.245 58.174 61.300 0.198 0.000 1.074 37 I CB 2.408 40.529 38.000 0.202 0.000 1.258 37 I HN 0.299 nan 8.210 nan 0.000 0.430 38 P HA 0.130 nan 4.420 nan 0.000 0.274 38 P C 0.495 177.883 177.300 0.146 0.000 1.231 38 P CA -0.185 63.061 63.100 0.243 0.000 0.790 38 P CB 1.379 33.188 31.700 0.182 0.000 0.951 39 A N 2.843 125.683 122.820 0.032 0.000 1.927 39 A HA -0.238 4.085 4.320 0.004 0.000 0.220 39 A C 2.242 179.928 177.584 0.169 0.000 1.185 39 A CA 2.714 54.814 52.037 0.104 0.000 0.639 39 A CB -1.911 17.099 19.000 0.015 0.000 0.820 39 A HN 0.688 nan 8.150 nan 0.000 0.451 40 S N -0.411 115.348 115.700 0.098 0.000 2.442 40 S HA 0.127 4.600 4.470 0.004 0.000 0.236 40 S C 1.666 176.340 174.600 0.124 0.000 1.007 40 S CA 1.174 59.428 58.200 0.090 0.000 0.965 40 S CB -0.423 62.809 63.200 0.054 0.000 0.773 40 S HN 1.026 nan 8.310 nan 0.000 0.504 41 A N -0.016 122.909 122.820 0.174 0.000 2.308 41 A HA 0.453 4.775 4.320 0.004 0.000 0.217 41 A C 0.384 178.146 177.584 0.296 0.000 1.216 41 A CA -0.420 51.733 52.037 0.194 0.000 0.864 41 A CB -0.398 18.712 19.000 0.184 0.000 0.902 41 A HN 0.507 nan 8.150 nan 0.000 0.499 42 F N 2.826 122.877 119.950 0.170 0.000 2.406 42 F HA 0.449 4.978 4.527 0.003 0.000 0.358 42 F C -0.377 175.639 175.800 0.360 0.000 1.161 42 F CA -1.843 56.318 58.000 0.268 0.000 1.185 42 F CB -0.109 39.052 39.000 0.268 0.000 1.421 42 F HN 0.351 nan 8.300 nan 0.000 0.576 43 D N 2.725 123.156 120.400 0.052 0.000 2.758 43 D HA 0.290 4.932 4.640 0.004 0.000 0.279 43 D C 0.588 176.987 176.300 0.165 0.000 1.111 43 D CA -0.734 53.232 54.000 -0.057 0.000 1.109 43 D CB 0.728 41.498 40.800 -0.050 0.000 1.428 43 D HN 0.184 nan 8.370 nan 0.000 0.586 44 K N -0.488 119.950 120.400 0.064 0.000 2.209 44 K HA -0.106 4.216 4.320 0.004 0.000 0.204 44 K C 1.783 178.516 176.600 0.222 0.000 1.048 44 K CA 1.070 57.482 56.287 0.208 0.000 0.940 44 K CB -0.170 32.348 32.500 0.030 0.000 0.729 44 K HN 0.324 nan 8.250 nan 0.000 0.451 45 S N 0.723 116.506 115.700 0.139 0.000 2.399 45 S HA -0.108 4.364 4.470 0.004 0.000 0.231 45 S C 1.927 176.620 174.600 0.154 0.000 1.022 45 S CA 0.905 59.178 58.200 0.122 0.000 0.983 45 S CB -0.112 63.138 63.200 0.084 0.000 0.803 45 S HN 0.072 nan 8.310 nan 0.000 0.480 46 V N 0.851 120.883 119.914 0.197 0.000 2.343 46 V HA -0.123 3.999 4.120 0.004 0.000 0.247 46 V C 1.996 178.127 176.094 0.062 0.000 1.051 46 V CA 1.900 64.304 62.300 0.174 0.000 1.036 46 V CB -0.853 31.113 31.823 0.239 0.000 0.654 46 V HN 0.517 nan 8.190 nan 0.000 0.451 47 F N 0.138 120.131 119.950 0.072 0.000 2.234 47 F HA -0.051 4.478 4.527 0.003 0.000 0.296 47 F C 2.246 178.053 175.800 0.012 0.000 1.089 47 F CA 1.373 59.384 58.000 0.017 0.000 1.343 47 F CB -0.339 38.653 39.000 -0.013 0.000 1.040 47 F HN 0.189 nan 8.300 nan 0.000 0.498 48 D N -0.285 120.234 120.400 0.197 0.000 2.149 48 D HA -0.094 4.549 4.640 0.004 0.000 0.206 48 D C 1.592 177.926 176.300 0.056 0.000 0.967 48 D CA 1.354 55.416 54.000 0.104 0.000 0.848 48 D CB -0.256 40.596 40.800 0.087 0.000 0.998 48 D HN 0.227 nan 8.370 nan 0.000 0.474 49 D N -0.544 119.894 120.400 0.062 0.000 2.379 49 D HA 0.225 4.868 4.640 0.004 0.000 0.218 49 D C 1.390 177.712 176.300 0.037 0.000 1.006 49 D CA 0.918 54.940 54.000 0.038 0.000 0.893 49 D CB 1.248 42.072 40.800 0.041 0.000 1.019 49 D HN 0.229 nan 8.370 nan 0.000 0.503 50 G N 0.594 109.437 108.800 0.072 0.000 2.698 50 G HA2 -0.151 3.811 3.960 0.004 0.000 0.225 50 G HA3 -0.151 3.811 3.960 0.004 0.000 0.225 50 G C -0.968 174.012 174.900 0.134 0.000 1.345 50 G CA -0.562 44.604 45.100 0.111 0.000 0.871 50 G HN 0.184 nan 8.290 nan 0.000 0.540 51 L N -0.292 121.029 121.223 0.164 0.000 2.371 51 L HA 0.814 5.156 4.340 0.004 0.000 0.262 51 L C 0.661 177.616 176.870 0.141 0.000 1.006 51 L CA -0.587 54.351 54.840 0.164 0.000 0.818 51 L CB 2.156 44.370 42.059 0.258 0.000 1.354 51 L HN 1.384 nan 8.230 nan 0.000 0.415 52 A N 1.476 124.334 122.820 0.063 0.000 2.294 52 A HA 0.950 5.272 4.320 0.004 0.000 0.330 52 A C -0.973 176.632 177.584 0.036 0.000 1.133 52 A CA -0.303 51.735 52.037 0.002 0.000 0.836 52 A CB 1.082 20.022 19.000 -0.101 0.000 1.190 52 A HN 0.648 nan 8.150 nan 0.000 0.492 53 F N -1.088 118.745 119.950 -0.195 0.000 2.745 53 F HA 0.635 5.165 4.527 0.005 0.000 0.316 53 F C -1.109 174.614 175.800 -0.129 0.000 1.155 53 F CA -1.146 56.738 58.000 -0.193 0.000 0.937 53 F CB 1.206 40.144 39.000 -0.102 0.000 1.361 53 F HN 0.419 nan 8.300 nan 0.000 0.472 54 D N 0.855 121.222 120.400 -0.056 0.000 2.441 54 D HA 0.309 4.951 4.640 0.004 0.000 0.221 54 D C 1.127 177.382 176.300 -0.075 0.000 1.156 54 D CA 0.036 53.958 54.000 -0.131 0.000 0.896 54 D CB 1.192 41.978 40.800 -0.023 0.000 1.028 54 D HN 0.869 nan 8.370 nan 0.000 0.509 55 G N 2.194 110.781 108.800 -0.355 0.000 2.470 55 G HA2 -0.227 3.736 3.960 0.004 0.000 0.220 55 G HA3 -0.227 3.736 3.960 0.004 0.000 0.220 55 G C 1.380 176.354 174.900 0.123 0.000 1.121 55 G CA 0.905 45.959 45.100 -0.077 0.000 0.766 55 G HN 0.537 nan 8.290 nan 0.000 0.553 56 S N -0.379 115.343 115.700 0.037 0.000 2.489 56 S HA 0.092 4.564 4.470 0.004 0.000 0.228 56 S C 2.020 176.673 174.600 0.088 0.000 0.995 56 S CA 1.139 59.380 58.200 0.069 0.000 0.934 56 S CB 0.064 63.281 63.200 0.028 0.000 0.771 56 S HN 0.098 nan 8.310 nan 0.000 0.522 57 S N 1.008 116.763 115.700 0.092 0.000 2.575 57 S HA 0.400 4.872 4.470 0.004 0.000 0.215 57 S C 0.215 174.859 174.600 0.074 0.000 0.966 57 S CA -0.266 57.982 58.200 0.080 0.000 0.911 57 S CB -0.095 63.145 63.200 0.068 0.000 0.780 57 S HN 0.438 nan 8.310 nan 0.000 0.514 58 I N 2.601 123.224 120.570 0.089 0.000 2.359 58 I HA 0.336 4.509 4.170 0.004 0.000 0.294 58 I C 0.432 176.503 176.117 -0.076 0.000 0.987 58 I CA -0.624 60.637 61.300 -0.065 0.000 1.225 58 I CB 0.964 38.832 38.000 -0.219 0.000 1.366 58 I HN -0.051 nan 8.210 nan 0.000 0.466 59 R N 3.367 123.798 120.500 -0.114 0.000 2.489 59 R HA 0.329 4.671 4.340 0.004 0.000 0.287 59 R C 1.095 177.388 176.300 -0.012 0.000 1.053 59 R CA 0.690 56.771 56.100 -0.031 0.000 1.036 59 R CB 0.222 30.472 30.300 -0.084 0.000 0.966 59 R HN 0.992 nan 8.270 nan 0.000 0.432 60 G N 1.831 110.712 108.800 0.136 0.000 2.162 60 G HA2 -0.293 3.670 3.960 0.004 0.000 0.260 60 G HA3 -0.293 3.670 3.960 0.004 0.000 0.260 60 G C 0.034 175.258 174.900 0.541 0.000 0.976 60 G CA 0.077 45.335 45.100 0.264 0.000 0.655 60 G HN 0.461 nan 8.290 nan 0.000 0.533 61 F N 0.244 120.317 119.950 0.205 0.000 2.646 61 F HA 0.524 5.053 4.527 0.003 0.000 0.180 61 F C 1.424 177.361 175.800 0.229 0.000 1.185 61 F CA -0.098 58.084 58.000 0.304 0.000 0.926 61 F CB -0.741 38.441 39.000 0.304 0.000 1.668 61 F HN 0.017 nan 8.300 nan 0.000 0.658 62 Q N 0.454 120.464 119.800 0.349 0.000 2.193 62 Q HA 0.349 4.691 4.340 0.004 0.000 0.246 62 Q C -0.199 175.853 176.000 0.085 0.000 0.959 62 Q CA -0.470 55.413 55.803 0.134 0.000 0.904 62 Q CB 1.535 30.265 28.738 -0.013 0.000 1.238 62 Q HN 0.499 nan 8.270 nan 0.000 0.469 63 S N -0.658 115.039 115.700 -0.005 0.000 2.669 63 S HA 0.307 4.780 4.470 0.004 0.000 0.270 63 S C 1.183 175.747 174.600 -0.061 0.000 1.225 63 S CA -0.715 57.479 58.200 -0.009 0.000 0.991 63 S CB 0.567 63.761 63.200 -0.010 0.000 0.987 63 S HN 0.716 nan 8.310 nan 0.000 0.552 64 I N 1.180 121.779 120.570 0.048 0.000 2.361 64 I HA -0.207 3.966 4.170 0.004 0.000 0.251 64 I C 2.333 178.480 176.117 0.049 0.000 1.133 64 I CA 1.475 62.808 61.300 0.055 0.000 1.413 64 I CB -0.226 37.828 38.000 0.090 0.000 1.073 64 I HN 0.886 nan 8.210 nan 0.000 0.424 65 H N -0.111 118.969 119.070 0.017 0.000 2.548 65 H HA 0.103 4.662 4.556 0.004 0.000 0.268 65 H C 0.389 175.728 175.328 0.019 0.000 0.975 65 H CA 0.377 56.435 56.048 0.016 0.000 1.195 65 H CB -0.301 29.473 29.762 0.020 0.000 1.397 65 H HN 0.479 nan 8.280 nan 0.000 0.572 66 E N 1.407 121.395 120.200 -0.355 0.000 2.989 66 E HA 0.092 4.444 4.350 0.004 0.000 0.207 66 E C 0.970 177.463 176.600 -0.177 0.000 0.989 66 E CA 0.075 56.340 56.400 -0.225 0.000 1.186 66 E CB 0.881 30.415 29.700 -0.277 0.000 1.141 66 E HN 0.464 nan 8.360 nan 0.000 0.454 67 S N -0.168 115.442 115.700 -0.151 0.000 2.345 67 S HA -0.123 4.349 4.470 0.004 0.000 0.220 67 S C 0.764 175.196 174.600 -0.279 0.000 1.031 67 S CA 0.451 58.550 58.200 -0.168 0.000 0.996 67 S CB -0.326 62.807 63.200 -0.112 0.000 0.882 67 S HN 0.119 nan 8.310 nan 0.000 0.445 68 D N 2.623 122.858 120.400 -0.275 0.000 2.586 68 D HA 0.270 4.913 4.640 0.004 0.000 0.234 68 D C -0.008 175.997 176.300 -0.493 0.000 1.132 68 D CA 0.980 54.758 54.000 -0.369 0.000 0.860 68 D CB 0.083 40.699 40.800 -0.308 0.000 1.159 68 D HN 0.212 nan 8.370 nan 0.000 0.490 69 M N 1.317 120.493 119.600 -0.706 0.000 2.691 69 M HA 0.526 5.008 4.480 0.004 0.000 0.293 69 M C -0.790 175.242 176.300 -0.448 0.000 1.259 69 M CA -0.974 53.898 55.300 -0.714 0.000 0.827 69 M CB 1.741 33.700 32.600 -1.069 0.000 1.753 69 M HN 0.277 nan 8.290 nan 0.000 0.465 70 L N 1.078 122.197 121.223 -0.172 0.000 2.341 70 L HA 0.785 5.127 4.340 0.004 0.000 0.267 70 L C -1.813 175.167 176.870 0.185 0.000 1.009 70 L CA -0.391 54.461 54.840 0.020 0.000 0.819 70 L CB 1.850 43.900 42.059 -0.016 0.000 1.323 70 L HN 0.635 nan 8.230 nan 0.000 0.425 71 L N 4.671 126.017 121.223 0.205 0.000 2.386 71 L HA 0.597 4.940 4.340 0.004 0.000 0.271 71 L C -1.251 175.838 176.870 0.365 0.000 0.993 71 L CA -0.513 54.494 54.840 0.278 0.000 0.819 71 L CB 1.966 44.105 42.059 0.133 0.000 1.294 71 L HN 0.463 nan 8.230 nan 0.000 0.414 72 L N 4.411 125.857 121.223 0.373 0.000 2.385 72 L HA 0.567 4.910 4.340 0.004 0.000 0.273 72 L C -2.309 174.469 176.870 -0.153 0.000 0.990 72 L CA -1.841 53.066 54.840 0.111 0.000 0.821 72 L CB 2.524 44.517 42.059 -0.109 0.000 1.279 72 L HN 0.299 nan 8.230 nan 0.000 0.412 73 P HA 0.027 nan 4.420 nan 0.000 0.272 73 P C -1.240 175.749 177.300 -0.519 0.000 1.223 73 P CA -0.144 62.118 63.100 -1.396 0.000 0.784 73 P CB 1.046 31.815 31.700 -1.551 0.000 0.923 74 D N 2.846 122.979 120.400 -0.444 0.000 2.464 74 D HA 0.185 4.827 4.640 0.004 0.000 0.243 74 D C -1.508 174.738 176.300 -0.089 0.000 1.104 74 D CA -2.585 51.352 54.000 -0.105 0.000 0.883 74 D CB 0.814 41.534 40.800 -0.134 0.000 1.050 74 D HN 0.089 nan 8.370 nan 0.000 0.524 75 P HA -0.142 nan 4.420 nan 0.000 0.221 75 P C 0.852 178.157 177.300 0.008 0.000 1.145 75 P CA 0.777 63.911 63.100 0.057 0.000 0.795 75 P CB 0.528 32.300 31.700 0.120 0.000 0.775 76 E N -0.242 119.967 120.200 0.015 0.000 2.265 76 E HA -0.101 4.252 4.350 0.004 0.000 0.196 76 E C 1.516 178.078 176.600 -0.063 0.000 0.996 76 E CA 1.727 58.119 56.400 -0.014 0.000 0.832 76 E CB -0.617 29.113 29.700 0.050 0.000 0.756 76 E HN 0.443 nan 8.360 nan 0.000 0.491 77 T N -2.073 112.444 114.554 -0.061 0.000 3.105 77 T HA 0.425 4.778 4.350 0.004 0.000 0.253 77 T C 0.631 175.278 174.700 -0.088 0.000 1.047 77 T CA -0.073 61.977 62.100 -0.082 0.000 0.944 77 T CB 0.333 69.151 68.868 -0.083 0.000 1.016 77 T HN 0.058 nan 8.240 nan 0.000 0.544 78 A N 2.532 125.307 122.820 -0.076 0.000 2.451 78 A HA 0.637 4.960 4.320 0.004 0.000 0.266 78 A C 0.187 177.728 177.584 -0.071 0.000 1.119 78 A CA -0.503 51.491 52.037 -0.071 0.000 0.786 78 A CB 0.167 19.140 19.000 -0.044 0.000 1.061 78 A HN 0.394 nan 8.150 nan 0.000 0.503 79 R N 2.259 122.716 120.500 -0.070 0.000 2.698 79 R HA 0.391 4.734 4.340 0.004 0.000 0.275 79 R C -0.961 175.311 176.300 -0.048 0.000 1.001 79 R CA -0.944 55.122 56.100 -0.057 0.000 0.896 79 R CB 1.128 31.398 30.300 -0.050 0.000 1.218 79 R HN 0.600 nan 8.270 nan 0.000 0.462 80 I N 1.820 122.367 120.570 -0.037 0.000 2.556 80 I HA 0.018 4.190 4.170 0.004 0.000 0.284 80 I C 0.902 176.997 176.117 -0.036 0.000 1.114 80 I CA 0.013 61.292 61.300 -0.034 0.000 1.418 80 I CB 0.283 38.264 38.000 -0.031 0.000 1.394 80 I HN 0.398 nan 8.210 nan 0.000 0.552 81 D N 8.961 129.349 120.400 -0.020 0.000 2.383 81 D HA 0.111 4.754 4.640 0.004 0.000 0.252 81 D C -1.677 174.554 176.300 -0.115 0.000 1.166 81 D CA -1.160 52.840 54.000 -0.000 0.000 0.879 81 D CB 1.927 42.777 40.800 0.083 0.000 1.164 81 D HN 0.274 nan 8.370 nan 0.000 0.462 82 P HA 0.060 nan 4.420 nan 0.000 0.241 82 P C 0.526 177.485 177.300 -0.568 0.000 1.191 82 P CA 0.477 63.237 63.100 -0.568 0.000 0.771 82 P CB 0.110 31.284 31.700 -0.877 0.000 0.929 83 F N -0.698 119.270 119.950 0.030 0.000 2.553 83 F HA 0.261 4.790 4.527 0.005 0.000 0.282 83 F C 1.295 177.114 175.800 0.033 0.000 1.089 83 F CA -0.270 57.737 58.000 0.012 0.000 1.411 83 F CB -0.657 38.325 39.000 -0.030 0.000 1.125 83 F HN -0.377 nan 8.300 nan 0.000 0.610 84 R N 0.912 121.534 120.500 0.202 0.000 2.442 84 R HA 0.355 4.697 4.340 0.004 0.000 0.291 84 R C 1.270 177.636 176.300 0.110 0.000 1.069 84 R CA 0.308 56.497 56.100 0.148 0.000 1.022 84 R CB 0.874 31.256 30.300 0.136 0.000 0.976 84 R HN 0.201 nan 8.270 nan 0.000 0.443 85 A N 3.448 126.329 122.820 0.103 0.000 1.933 85 A HA -0.067 4.255 4.320 0.004 0.000 0.218 85 A C 1.026 178.666 177.584 0.095 0.000 1.175 85 A CA 1.522 53.611 52.037 0.086 0.000 0.628 85 A CB -0.138 18.909 19.000 0.079 0.000 0.814 85 A HN 0.734 nan 8.150 nan 0.000 0.444 86 A N 0.024 122.922 122.820 0.131 0.000 2.354 86 A HA 0.493 4.815 4.320 0.004 0.000 0.281 86 A C 0.193 177.876 177.584 0.166 0.000 1.174 86 A CA -0.515 51.630 52.037 0.180 0.000 0.828 86 A CB -0.001 19.203 19.000 0.340 0.000 1.099 86 A HN 0.251 nan 8.150 nan 0.000 0.516 87 K N 2.102 122.562 120.400 0.101 0.000 2.466 87 K HA 0.186 4.508 4.320 0.004 0.000 0.278 87 K C -0.371 176.279 176.600 0.084 0.000 1.048 87 K CA 1.074 57.401 56.287 0.065 0.000 1.088 87 K CB -0.133 32.382 32.500 0.026 0.000 0.884 87 K HN 0.640 nan 8.250 nan 0.000 0.478 88 T N 4.845 119.443 114.554 0.075 0.000 2.861 88 T HA 0.406 4.758 4.350 0.004 0.000 0.287 88 T C -1.383 173.322 174.700 0.009 0.000 1.003 88 T CA -0.741 61.404 62.100 0.075 0.000 0.977 88 T CB 1.043 69.975 68.868 0.105 0.000 0.996 88 T HN 0.411 nan 8.240 nan 0.000 0.448 89 L N 3.981 125.184 121.223 -0.033 0.000 2.287 89 L HA 0.560 4.902 4.340 0.004 0.000 0.287 89 L C -0.714 176.085 176.870 -0.118 0.000 1.022 89 L CA -0.470 54.321 54.840 -0.083 0.000 0.814 89 L CB 0.778 42.762 42.059 -0.125 0.000 1.217 89 L HN 0.447 nan 8.230 nan 0.000 0.420 90 N N 6.383 125.021 118.700 -0.104 0.000 2.479 90 N HA 0.563 5.305 4.740 0.004 0.000 0.285 90 N C -0.993 174.451 175.510 -0.111 0.000 1.075 90 N CA -0.024 52.951 53.050 -0.125 0.000 0.967 90 N CB 1.705 40.103 38.487 -0.148 0.000 1.137 90 N HN 0.538 nan 8.380 nan 0.000 0.472 91 I N 1.372 121.897 120.570 -0.075 0.000 2.569 91 I HA 0.238 4.411 4.170 0.004 0.000 0.290 91 I C -0.525 175.642 176.117 0.084 0.000 1.088 91 I CA -0.952 60.332 61.300 -0.028 0.000 1.047 91 I CB 1.861 39.835 38.000 -0.042 0.000 1.237 91 I HN 0.181 nan 8.210 nan 0.000 0.421 92 N N 4.731 123.422 118.700 -0.014 0.000 2.530 92 N HA 0.543 5.285 4.740 0.004 0.000 0.277 92 N C -1.150 174.349 175.510 -0.018 0.000 1.168 92 N CA 0.157 53.214 53.050 0.011 0.000 0.979 92 N CB 0.779 39.201 38.487 -0.109 0.000 1.141 92 N HN 0.330 nan 8.380 nan 0.000 0.459 93 F N 0.352 120.175 119.950 -0.212 0.000 2.561 93 F HA 0.490 5.020 4.527 0.005 0.000 0.321 93 F C -0.171 175.487 175.800 -0.237 0.000 1.065 93 F CA -1.007 56.891 58.000 -0.169 0.000 0.934 93 F CB 1.276 40.237 39.000 -0.066 0.000 1.215 93 F HN 0.227 nan 8.300 nan 0.000 0.471 94 F N 1.446 121.503 119.950 0.178 0.000 2.399 94 F HA 0.506 5.034 4.527 0.002 0.000 0.334 94 F C -0.053 175.878 175.800 0.219 0.000 1.097 94 F CA -0.927 57.160 58.000 0.145 0.000 1.076 94 F CB 1.118 40.211 39.000 0.155 0.000 1.162 94 F HN -0.069 nan 8.300 nan 0.000 0.495 95 V N 3.670 123.744 119.914 0.267 0.000 2.498 95 V HA 0.267 4.389 4.120 0.004 0.000 0.279 95 V C -0.042 176.078 176.094 0.042 0.000 1.048 95 V CA -0.488 61.902 62.300 0.150 0.000 0.967 95 V CB 0.553 32.412 31.823 0.058 0.000 0.988 95 V HN 0.680 nan 8.190 nan 0.000 0.473 96 H N 1.869 120.947 119.070 0.014 0.000 2.865 96 H HA 0.293 4.851 4.556 0.003 0.000 0.372 96 H C -0.757 174.508 175.328 -0.105 0.000 1.173 96 H CA -0.775 55.267 56.048 -0.010 0.000 1.147 96 H CB 2.384 32.154 29.762 0.013 0.000 1.805 96 H HN 0.689 nan 8.280 nan 0.000 0.553 97 D N 2.775 123.197 120.400 0.037 0.000 2.425 97 D HA -0.012 4.630 4.640 0.004 0.000 0.247 97 D C -1.611 174.658 176.300 -0.051 0.000 1.147 97 D CA -1.202 52.781 54.000 -0.027 0.000 0.879 97 D CB 1.635 42.470 40.800 0.058 0.000 1.179 97 D HN 0.281 nan 8.370 nan 0.000 0.456 98 P HA -0.050 nan 4.420 nan 0.000 0.229 98 P C 1.018 178.122 177.300 -0.328 0.000 1.160 98 P CA 0.625 63.541 63.100 -0.308 0.000 0.777 98 P CB 0.112 31.515 31.700 -0.494 0.000 0.814 99 F N 0.843 120.774 119.950 -0.032 0.000 2.243 99 F HA 0.010 4.540 4.527 0.004 0.000 0.287 99 F C 2.560 178.356 175.800 -0.006 0.000 1.067 99 F CA 1.870 59.858 58.000 -0.019 0.000 1.304 99 F CB -1.587 37.401 39.000 -0.021 0.000 1.087 99 F HN -0.083 nan 8.300 nan 0.000 0.513 100 T N -2.223 112.453 114.554 0.204 0.000 3.065 100 T HA 0.139 4.491 4.350 0.004 0.000 0.252 100 T C 1.149 175.904 174.700 0.092 0.000 1.099 100 T CA 0.403 62.576 62.100 0.123 0.000 1.063 100 T CB -0.482 68.446 68.868 0.100 0.000 0.948 100 T HN 0.270 nan 8.240 nan 0.000 0.506 101 L N -0.691 120.587 121.223 0.092 0.000 4.625 101 L HA -0.152 4.191 4.340 0.004 0.000 0.428 101 L C -0.111 176.894 176.870 0.225 0.000 1.129 101 L CA 0.456 55.361 54.840 0.108 0.000 0.978 101 L CB -2.078 40.002 42.059 0.034 0.000 2.043 101 L HN 0.361 nan 8.230 nan 0.000 0.847 102 E N 1.063 121.355 120.200 0.154 0.000 2.373 102 E HA 0.273 4.625 4.350 0.004 0.000 0.267 102 E C -1.941 174.673 176.600 0.024 0.000 1.032 102 E CA -1.759 54.704 56.400 0.105 0.000 0.889 102 E CB 0.486 30.214 29.700 0.047 0.000 0.984 102 E HN -0.001 nan 8.360 nan 0.000 0.425 103 P HA -0.086 nan 4.420 nan 0.000 0.266 103 P C -0.505 176.691 177.300 -0.172 0.000 1.195 103 P CA 0.245 63.075 63.100 -0.451 0.000 0.768 103 P CB 0.137 31.614 31.700 -0.373 0.000 0.838 104 Y N 2.371 122.477 120.300 -0.322 0.000 2.377 104 Y HA 0.074 4.626 4.550 0.004 0.000 0.330 104 Y C 1.676 177.438 175.900 -0.230 0.000 1.108 104 Y CA -0.345 57.605 58.100 -0.249 0.000 1.308 104 Y CB 0.525 38.808 38.460 -0.294 0.000 1.216 104 Y HN 0.421 nan 8.280 nan 0.000 0.518 105 S N 4.457 119.886 115.700 -0.452 0.000 2.474 105 S HA -0.037 4.436 4.470 0.004 0.000 0.235 105 S C 1.071 175.328 174.600 -0.572 0.000 0.997 105 S CA 0.834 58.772 58.200 -0.437 0.000 0.949 105 S CB -0.121 62.892 63.200 -0.312 0.000 0.766 105 S HN 0.799 nan 8.310 nan 0.000 0.517 106 R N 0.978 120.860 120.500 -1.031 0.000 2.586 106 R HA 0.277 4.619 4.340 0.004 0.000 0.336 106 R C -0.892 175.141 176.300 -0.446 0.000 1.060 106 R CA -0.120 55.552 56.100 -0.713 0.000 1.079 106 R CB 0.142 30.049 30.300 -0.655 0.000 1.317 106 R HN 0.308 nan 8.270 nan 0.000 0.568 107 D N 1.287 121.497 120.400 -0.317 0.000 2.339 107 D HA 0.120 4.763 4.640 0.004 0.000 0.241 107 D C -1.699 174.541 176.300 -0.100 0.000 1.183 107 D CA -2.498 51.479 54.000 -0.038 0.000 0.859 107 D CB 1.726 42.552 40.800 0.043 0.000 1.067 107 D HN -0.138 nan 8.370 nan 0.000 0.484 108 P HA -0.126 nan 4.420 nan 0.000 0.216 108 P C 1.099 178.201 177.300 -0.331 0.000 1.150 108 P CA 1.132 64.127 63.100 -0.174 0.000 0.843 108 P CB 0.225 31.874 31.700 -0.085 0.000 0.787 109 R N -1.189 119.023 120.500 -0.479 0.000 2.148 109 R HA -0.093 4.249 4.340 0.004 0.000 0.227 109 R C 2.057 178.384 176.300 0.045 0.000 1.103 109 R CA 1.165 57.014 56.100 -0.417 0.000 0.983 109 R CB -0.781 29.195 30.300 -0.540 0.000 0.874 109 R HN 0.210 nan 8.270 nan 0.000 0.451 110 N N 1.014 119.731 118.700 0.028 0.000 2.216 110 N HA -0.101 4.641 4.740 0.004 0.000 0.183 110 N C 1.596 177.025 175.510 -0.135 0.000 1.017 110 N CA 0.999 54.030 53.050 -0.031 0.000 0.861 110 N CB 0.044 38.464 38.487 -0.112 0.000 0.986 110 N HN -0.001 nan 8.380 nan 0.000 0.428 111 I N 0.995 121.431 120.570 -0.224 0.000 2.163 111 I HA -0.188 3.984 4.170 0.004 0.000 0.243 111 I C 2.299 178.275 176.117 -0.235 0.000 1.085 111 I CA 1.187 62.272 61.300 -0.358 0.000 1.347 111 I CB -1.878 35.766 38.000 -0.595 0.000 1.044 111 I HN 0.152 nan 8.210 nan 0.000 0.408 112 A N 0.620 123.375 122.820 -0.109 0.000 1.902 112 A HA -0.218 4.104 4.320 0.004 0.000 0.217 112 A C 2.555 180.143 177.584 0.008 0.000 1.181 112 A CA 1.454 53.488 52.037 -0.005 0.000 0.623 112 A CB -0.645 18.435 19.000 0.133 0.000 0.818 112 A HN 0.293 nan 8.150 nan 0.000 0.443 113 R N -0.168 120.343 120.500 0.018 0.000 2.080 113 R HA -0.165 4.178 4.340 0.004 0.000 0.236 113 R C 2.208 178.485 176.300 -0.037 0.000 1.137 113 R CA 2.019 58.115 56.100 -0.006 0.000 0.943 113 R CB -0.283 29.983 30.300 -0.056 0.000 0.846 113 R HN 0.542 nan 8.270 nan 0.000 0.431 114 K N -0.397 119.959 120.400 -0.073 0.000 2.057 114 K HA -0.106 4.216 4.320 0.004 0.000 0.207 114 K C 2.098 178.699 176.600 0.000 0.000 1.049 114 K CA 1.288 57.538 56.287 -0.062 0.000 0.931 114 K CB -0.142 32.282 32.500 -0.127 0.000 0.714 114 K HN 0.181 nan 8.250 nan 0.000 0.440 115 A N 1.853 124.664 122.820 -0.015 0.000 1.883 115 A HA -0.228 4.094 4.320 0.004 0.000 0.217 115 A C 1.949 179.613 177.584 0.133 0.000 1.186 115 A CA 1.586 53.665 52.037 0.070 0.000 0.624 115 A CB -0.433 18.595 19.000 0.048 0.000 0.822 115 A HN 0.301 nan 8.150 nan 0.000 0.444 116 E N -0.289 119.957 120.200 0.076 0.000 2.077 116 E HA -0.180 4.172 4.350 0.004 0.000 0.193 116 E C 1.738 178.372 176.600 0.056 0.000 0.989 116 E CA 1.124 57.562 56.400 0.062 0.000 0.800 116 E CB -0.200 29.511 29.700 0.017 0.000 0.746 116 E HN 0.550 nan 8.360 nan 0.000 0.452 117 N N 0.154 118.885 118.700 0.052 0.000 2.216 117 N HA -0.148 4.595 4.740 0.004 0.000 0.183 117 N C 1.688 177.242 175.510 0.073 0.000 1.017 117 N CA 0.744 53.820 53.050 0.042 0.000 0.861 117 N CB -0.295 38.205 38.487 0.023 0.000 0.986 117 N HN 0.228 nan 8.380 nan 0.000 0.428 118 Y N 1.872 122.172 120.300 -0.000 0.000 2.145 118 Y HA -0.183 4.369 4.550 0.004 0.000 0.286 118 Y C 2.327 178.244 175.900 0.029 0.000 1.145 118 Y CA 1.089 59.197 58.100 0.012 0.000 1.148 118 Y CB -0.574 37.895 38.460 0.014 0.000 0.981 118 Y HN -0.035 nan 8.280 nan 0.000 0.507 119 L N 0.611 121.847 121.223 0.022 0.000 2.013 119 L HA -0.259 4.084 4.340 0.004 0.000 0.212 119 L C 2.219 179.032 176.870 -0.095 0.000 1.073 119 L CA 2.097 56.914 54.840 -0.038 0.000 0.753 119 L CB -0.982 41.128 42.059 0.085 0.000 0.890 119 L HN 0.385 nan 8.230 nan 0.000 0.432 120 I N -0.450 120.090 120.570 -0.050 0.000 2.208 120 I HA -0.317 3.855 4.170 0.004 0.000 0.245 120 I C 2.592 178.659 176.117 -0.083 0.000 1.097 120 I CA 1.589 62.863 61.300 -0.044 0.000 1.363 120 I CB -0.564 37.427 38.000 -0.016 0.000 1.051 120 I HN 0.538 nan 8.210 nan 0.000 0.413 121 S N -0.193 115.430 115.700 -0.128 0.000 2.474 121 S HA -0.152 4.320 4.470 0.004 0.000 0.235 121 S C 1.976 176.458 174.600 -0.197 0.000 0.997 121 S CA 1.338 59.455 58.200 -0.139 0.000 0.949 121 S CB -0.918 62.214 63.200 -0.114 0.000 0.766 121 S HN 0.608 nan 8.310 nan 0.000 0.517 122 T N -3.093 111.288 114.554 -0.288 0.000 3.067 122 T HA 0.402 4.755 4.350 0.004 0.000 0.261 122 T C 1.862 176.494 174.700 -0.114 0.000 1.110 122 T CA 1.016 62.969 62.100 -0.244 0.000 1.113 122 T CB -0.687 67.994 68.868 -0.312 0.000 0.917 122 T HN 1.183 nan 8.240 nan 0.000 0.499 123 G N 1.367 110.117 108.800 -0.083 0.000 2.245 123 G HA2 -0.321 3.642 3.960 0.004 0.000 0.264 123 G HA3 -0.321 3.642 3.960 0.004 0.000 0.264 123 G C 0.898 175.787 174.900 -0.019 0.000 0.985 123 G CA 0.419 45.495 45.100 -0.039 0.000 0.625 123 G HN 0.574 nan 8.290 nan 0.000 0.536 124 I N 0.920 121.477 120.570 -0.022 0.000 2.163 124 I HA 0.208 4.380 4.170 0.004 0.000 0.243 124 I C 1.667 177.801 176.117 0.029 0.000 1.085 124 I CA 1.806 63.113 61.300 0.011 0.000 1.347 124 I CB -0.299 37.717 38.000 0.027 0.000 1.044 124 I HN 0.703 nan 8.210 nan 0.000 0.408 125 A N 0.161 123.000 122.820 0.032 0.000 2.581 125 A HA 0.430 4.753 4.320 0.004 0.000 0.290 125 A C -0.826 176.785 177.584 0.045 0.000 1.119 125 A CA -0.142 51.928 52.037 0.056 0.000 0.670 125 A CB 0.777 19.829 19.000 0.088 0.000 1.280 125 A HN 0.219 nan 8.150 nan 0.000 0.425 126 D N -1.457 118.980 120.400 0.062 0.000 2.479 126 D HA 0.265 4.908 4.640 0.004 0.000 0.216 126 D C 0.064 176.375 176.300 0.018 0.000 1.110 126 D CA 0.721 54.746 54.000 0.040 0.000 0.841 126 D CB 0.634 41.461 40.800 0.045 0.000 1.040 126 D HN 0.351 nan 8.370 nan 0.000 0.505 127 T N 0.192 114.755 114.554 0.015 0.000 2.991 127 T HA 0.726 5.078 4.350 0.004 0.000 0.303 127 T C -1.061 173.557 174.700 -0.137 0.000 1.015 127 T CA -0.806 61.214 62.100 -0.133 0.000 1.007 127 T CB 1.878 70.558 68.868 -0.312 0.000 1.034 127 T HN 0.203 nan 8.240 nan 0.000 0.446 128 A N 2.906 125.655 122.820 -0.118 0.000 2.273 128 A HA 0.719 5.042 4.320 0.004 0.000 0.315 128 A C -1.225 176.351 177.584 -0.014 0.000 1.256 128 A CA -0.617 51.430 52.037 0.017 0.000 0.851 128 A CB 0.201 19.365 19.000 0.275 0.000 1.172 128 A HN 0.773 nan 8.150 nan 0.000 0.508 129 Y N 1.195 121.533 120.300 0.063 0.000 2.313 129 Y HA 0.510 5.065 4.550 0.009 0.000 0.332 129 Y C -0.405 175.445 175.900 -0.083 0.000 1.071 129 Y CA -0.158 57.980 58.100 0.064 0.000 1.169 129 Y CB 1.039 39.434 38.460 -0.109 0.000 1.192 129 Y HN 0.575 nan 8.280 nan 0.000 0.487 130 F N 1.536 121.573 119.950 0.144 0.000 2.449 130 F HA 0.624 5.152 4.527 0.001 0.000 0.342 130 F C 0.553 176.378 175.800 0.042 0.000 1.127 130 F CA -0.901 57.060 58.000 -0.066 0.000 0.975 130 F CB 1.914 40.645 39.000 -0.447 0.000 1.146 130 F HN 0.576 nan 8.300 nan 0.000 0.444 131 G N 1.930 110.808 108.800 0.130 0.000 2.478 131 G HA2 0.709 4.672 3.960 0.004 0.000 0.317 131 G HA3 0.709 4.672 3.960 0.004 0.000 0.317 131 G C -1.538 173.417 174.900 0.091 0.000 1.259 131 G CA -0.681 44.484 45.100 0.108 0.000 0.933 131 G HN 0.844 nan 8.290 nan 0.000 0.478 132 A N 2.420 125.245 122.820 0.007 0.000 2.413 132 A HA 0.850 5.172 4.320 0.004 0.000 0.307 132 A C -0.480 177.081 177.584 -0.040 0.000 1.087 132 A CA -0.816 51.271 52.037 0.083 0.000 0.750 132 A CB 1.522 20.660 19.000 0.231 0.000 1.296 132 A HN 0.608 nan 8.150 nan 0.000 0.423 133 E N 1.325 121.563 120.200 0.062 0.000 2.346 133 E HA 0.463 4.815 4.350 0.004 0.000 0.239 133 E C -0.553 176.077 176.600 0.050 0.000 0.943 133 E CA -0.454 55.956 56.400 0.017 0.000 0.751 133 E CB 1.624 31.363 29.700 0.066 0.000 1.241 133 E HN 0.703 nan 8.360 nan 0.000 0.423 134 A N 3.801 126.702 122.820 0.134 0.000 2.527 134 A HA 0.177 4.500 4.320 0.004 0.000 0.313 134 A C 0.087 177.979 177.584 0.513 0.000 1.410 134 A CA -0.404 51.855 52.037 0.371 0.000 1.060 134 A CB 0.013 19.326 19.000 0.522 0.000 1.137 134 A HN 0.519 nan 8.150 nan 0.000 0.542 135 E N 0.960 121.301 120.200 0.236 0.000 2.374 135 E HA 0.547 4.899 4.350 0.004 0.000 0.260 135 E C -0.547 176.050 176.600 -0.005 0.000 1.101 135 E CA 0.140 56.541 56.400 0.002 0.000 0.907 135 E CB 0.816 30.435 29.700 -0.135 0.000 1.014 135 E HN 0.690 nan 8.360 nan 0.000 0.427 136 F N -1.409 118.289 119.950 -0.420 0.000 2.711 136 F HA 0.507 5.036 4.527 0.003 0.000 0.313 136 F C -1.622 173.772 175.800 -0.677 0.000 1.141 136 F CA -1.316 56.272 58.000 -0.686 0.000 0.941 136 F CB 0.871 39.108 39.000 -1.271 0.000 1.349 136 F HN 0.244 nan 8.300 nan 0.000 0.464 137 Y N 1.704 121.749 120.300 -0.425 0.000 2.352 137 Y HA 0.624 5.177 4.550 0.005 0.000 0.339 137 Y C -0.094 175.434 175.900 -0.620 0.000 0.992 137 Y CA -0.828 56.858 58.100 -0.690 0.000 1.100 137 Y CB 1.873 39.644 38.460 -1.148 0.000 1.192 137 Y HN 0.471 nan 8.280 nan 0.000 0.458 138 I N 5.602 125.912 120.570 -0.433 0.000 2.276 138 I HA 0.158 4.330 4.170 0.004 0.000 0.290 138 I C -0.803 175.247 176.117 -0.113 0.000 1.109 138 I CA -0.178 60.961 61.300 -0.270 0.000 1.229 138 I CB -0.345 37.445 38.000 -0.350 0.000 1.452 138 I HN 0.358 nan 8.210 nan 0.000 0.497 139 F N 3.390 123.414 119.950 0.124 0.000 2.375 139 F HA 0.257 4.788 4.527 0.005 0.000 0.317 139 F C 1.431 177.323 175.800 0.153 0.000 1.124 139 F CA -0.608 57.494 58.000 0.170 0.000 1.050 139 F CB 0.491 39.593 39.000 0.170 0.000 1.314 139 F HN 0.330 nan 8.300 nan 0.000 0.511 140 D N -0.908 119.725 120.400 0.388 0.000 2.324 140 D HA 0.082 4.724 4.640 0.004 0.000 0.212 140 D C 0.077 176.468 176.300 0.152 0.000 0.984 140 D CA 0.883 55.015 54.000 0.219 0.000 0.885 140 D CB 0.328 41.241 40.800 0.188 0.000 0.996 140 D HN 0.366 nan 8.370 nan 0.000 0.505 141 S N -1.036 114.767 115.700 0.171 0.000 2.565 141 S HA 0.617 5.089 4.470 0.004 0.000 0.269 141 S C -1.335 173.331 174.600 0.111 0.000 1.153 141 S CA -0.861 57.409 58.200 0.117 0.000 0.835 141 S CB 2.381 65.628 63.200 0.077 0.000 1.122 141 S HN -0.071 nan 8.310 nan 0.000 0.462 142 V N 1.335 121.323 119.914 0.124 0.000 2.969 142 V HA 0.903 5.025 4.120 0.004 0.000 0.304 142 V C -1.309 174.856 176.094 0.118 0.000 1.192 142 V CA 0.451 62.837 62.300 0.144 0.000 0.962 142 V CB 1.919 33.882 31.823 0.233 0.000 1.045 142 V HN 1.847 nan 8.190 nan 0.000 0.428 143 S N 5.351 121.128 115.700 0.129 0.000 2.550 143 S HA 0.984 5.457 4.470 0.004 0.000 0.270 143 S C -1.119 173.380 174.600 -0.168 0.000 1.145 143 S CA -0.624 57.552 58.200 -0.040 0.000 0.852 143 S CB 1.993 65.272 63.200 0.132 0.000 1.119 143 S HN 1.974 nan 8.310 nan 0.000 0.465 144 F N -1.072 118.564 119.950 -0.522 0.000 2.725 144 F HA 0.839 5.369 4.527 0.004 0.000 0.309 144 F C -1.613 173.762 175.800 -0.709 0.000 1.132 144 F CA -0.820 56.593 58.000 -0.978 0.000 0.957 144 F CB 0.688 39.441 39.000 -0.413 0.000 1.286 144 F HN 0.825 nan 8.300 nan 0.000 0.440 145 D N 0.113 120.224 120.400 -0.482 0.000 2.677 145 D HA 0.678 5.320 4.640 0.004 0.000 0.298 145 D C -1.682 174.629 176.300 0.018 0.000 1.250 145 D CA -0.738 53.223 54.000 -0.065 0.000 0.888 145 D CB 1.665 42.482 40.800 0.028 0.000 1.397 145 D HN 0.732 nan 8.370 nan 0.000 0.461 146 S N -0.740 114.992 115.700 0.053 0.000 2.706 146 S HA 0.612 5.085 4.470 0.004 0.000 0.270 146 S C -1.232 173.396 174.600 0.046 0.000 1.163 146 S CA -0.679 57.548 58.200 0.045 0.000 1.042 146 S CB 0.318 63.537 63.200 0.033 0.000 1.079 146 S HN 0.511 nan 8.310 nan 0.000 0.474 147 R N 1.732 122.260 120.500 0.047 0.000 2.960 147 R HA 0.758 5.100 4.340 0.004 0.000 0.249 147 R C 1.317 177.639 176.300 0.037 0.000 1.192 147 R CA -0.401 55.723 56.100 0.040 0.000 1.035 147 R CB 0.527 30.851 30.300 0.040 0.000 1.234 147 R HN 0.556 nan 8.270 nan 0.000 0.493 148 A N 1.020 123.861 122.820 0.035 0.000 1.902 148 A HA -0.178 4.145 4.320 0.004 0.000 0.217 148 A C 1.200 178.813 177.584 0.048 0.000 1.181 148 A CA 1.917 53.978 52.037 0.041 0.000 0.623 148 A CB -0.509 18.512 19.000 0.035 0.000 0.818 148 A HN 0.790 nan 8.150 nan 0.000 0.443 149 N N -1.056 117.662 118.700 0.030 0.000 2.187 149 N HA 0.320 5.062 4.740 0.004 0.000 0.212 149 N C 0.328 175.815 175.510 -0.039 0.000 1.152 149 N CA 0.910 53.971 53.050 0.018 0.000 0.872 149 N CB 0.605 39.102 38.487 0.016 0.000 1.025 149 N HN 0.453 nan 8.380 nan 0.000 0.514 150 G N -1.078 107.702 108.800 -0.032 0.000 2.489 150 G HA2 0.446 4.409 3.960 0.004 0.000 0.291 150 G HA3 0.446 4.409 3.960 0.004 0.000 0.291 150 G C -2.123 172.780 174.900 0.004 0.000 1.487 150 G CA -0.418 44.641 45.100 -0.069 0.000 0.795 150 G HN 0.162 nan 8.290 nan 0.000 0.513 151 S N -1.071 114.640 115.700 0.019 0.000 2.547 151 S HA 0.868 5.340 4.470 0.004 0.000 0.270 151 S C -1.542 173.156 174.600 0.164 0.000 1.150 151 S CA -0.544 57.705 58.200 0.083 0.000 0.850 151 S CB 1.187 64.407 63.200 0.033 0.000 1.118 151 S HN 1.888 nan 8.310 nan 0.000 0.461 152 F N 2.268 122.232 119.950 0.022 0.000 2.668 152 F HA 0.854 5.384 4.527 0.004 0.000 0.309 152 F C -1.749 174.142 175.800 0.151 0.000 1.117 152 F CA -1.113 56.894 58.000 0.012 0.000 0.951 152 F CB 0.812 39.779 39.000 -0.054 0.000 1.323 152 F HN 0.710 nan 8.300 nan 0.000 0.451 153 Y N -0.207 120.052 120.300 -0.069 0.000 2.588 153 Y HA 0.812 5.364 4.550 0.004 0.000 0.343 153 Y C -1.739 174.224 175.900 0.105 0.000 1.065 153 Y CA -1.094 56.920 58.100 -0.144 0.000 1.038 153 Y CB 2.134 40.511 38.460 -0.138 0.000 1.297 153 Y HN 0.982 nan 8.280 nan 0.000 0.467 154 E N 2.409 122.672 120.200 0.104 0.000 2.343 154 E HA 0.500 4.852 4.350 0.004 0.000 0.286 154 E C -1.879 174.721 176.600 -0.001 0.000 0.915 154 E CA -0.864 55.501 56.400 -0.058 0.000 0.784 154 E CB 2.629 32.329 29.700 0.001 0.000 1.251 154 E HN 0.873 nan 8.360 nan 0.000 0.407 155 V N 0.584 120.396 119.914 -0.169 0.000 2.732 155 V HA 0.796 4.919 4.120 0.004 0.000 0.310 155 V C -0.438 175.445 176.094 -0.353 0.000 1.053 155 V CA -0.504 61.575 62.300 -0.369 0.000 0.957 155 V CB 1.867 33.180 31.823 -0.849 0.000 1.018 155 V HN 0.671 nan 8.190 nan 0.000 0.452 156 D N 1.016 121.303 120.400 -0.187 0.000 2.602 156 D HA 0.854 5.496 4.640 0.004 0.000 0.236 156 D C -0.993 175.493 176.300 0.311 0.000 1.209 156 D CA 0.294 54.406 54.000 0.187 0.000 0.831 156 D CB 2.361 43.278 40.800 0.195 0.000 1.478 156 D HN 1.282 nan 8.370 nan 0.000 0.438 157 A N 2.220 125.311 122.820 0.452 0.000 2.555 157 A HA 0.351 4.673 4.320 0.004 0.000 0.297 157 A C 0.576 178.267 177.584 0.178 0.000 1.060 157 A CA -0.660 51.607 52.037 0.384 0.000 0.710 157 A CB 0.676 20.020 19.000 0.573 0.000 1.282 157 A HN 0.636 nan 8.150 nan 0.000 0.399 158 I N 1.881 122.545 120.570 0.157 0.000 2.248 158 I HA -0.232 3.940 4.170 0.004 0.000 0.248 158 I C 2.015 178.117 176.117 -0.026 0.000 1.107 158 I CA 2.542 63.867 61.300 0.040 0.000 1.373 158 I CB 0.221 38.234 38.000 0.023 0.000 1.055 158 I HN 0.752 nan 8.210 nan 0.000 0.418 159 S N 0.121 115.861 115.700 0.067 0.000 2.593 159 S HA 0.178 4.650 4.470 0.004 0.000 0.217 159 S C 1.153 175.678 174.600 -0.125 0.000 0.966 159 S CA -0.024 58.210 58.200 0.057 0.000 0.914 159 S CB -0.784 62.595 63.200 0.299 0.000 0.776 159 S HN 0.460 nan 8.310 nan 0.000 0.523 160 G N 0.692 109.206 108.800 -0.476 0.000 2.343 160 G HA2 0.118 4.080 3.960 0.004 0.000 0.254 160 G HA3 0.118 4.080 3.960 0.004 0.000 0.254 160 G C 0.392 174.668 174.900 -1.039 0.000 1.277 160 G CA -0.663 43.614 45.100 -1.371 0.000 0.909 160 G HN 0.511 nan 8.290 nan 0.000 0.502 161 W N 2.919 123.716 121.300 -0.839 0.000 2.392 161 W HA -0.117 4.545 4.660 0.004 0.000 0.279 161 W C 1.587 177.974 176.519 -0.219 0.000 1.225 161 W CA 1.053 58.135 57.345 -0.439 0.000 1.233 161 W CB 0.069 29.269 29.460 -0.433 0.000 1.122 161 W HN 0.914 nan 8.180 nan 0.000 0.561 162 W N 0.678 122.021 121.300 0.071 0.000 2.721 162 W HA -0.027 4.635 4.660 0.004 0.000 0.245 162 W C 1.049 177.526 176.519 -0.069 0.000 1.276 162 W CA 0.840 58.207 57.345 0.037 0.000 1.342 162 W CB -1.526 28.001 29.460 0.112 0.000 1.135 162 W HN -0.242 nan 8.180 nan 0.000 0.654 163 N N 0.584 119.065 118.700 -0.365 0.000 2.230 163 N HA -0.041 4.701 4.740 0.004 0.000 0.202 163 N C 1.620 176.951 175.510 -0.299 0.000 1.119 163 N CA 1.337 54.239 53.050 -0.247 0.000 0.851 163 N CB -0.223 38.101 38.487 -0.271 0.000 0.990 163 N HN 0.394 nan 8.380 nan 0.000 0.497 164 T N -2.764 111.505 114.554 -0.476 0.000 2.803 164 T HA -0.089 4.264 4.350 0.004 0.000 0.269 164 T C 1.807 176.319 174.700 -0.313 0.000 1.052 164 T CA 1.364 63.145 62.100 -0.533 0.000 1.136 164 T CB -0.408 67.898 68.868 -0.937 0.000 0.864 164 T HN 0.149 nan 8.240 nan 0.000 0.467 165 G N 0.782 109.446 108.800 -0.226 0.000 3.042 165 G HA2 0.513 4.475 3.960 0.004 0.000 0.212 165 G HA3 0.513 4.475 3.960 0.004 0.000 0.212 165 G C 0.520 175.365 174.900 -0.091 0.000 1.166 165 G CA -0.021 44.998 45.100 -0.134 0.000 0.767 165 G HN 0.845 nan 8.290 nan 0.000 0.546 166 A N 0.317 123.081 122.820 -0.094 0.000 2.520 166 A HA 0.591 4.914 4.320 0.004 0.000 0.245 166 A C 1.755 179.306 177.584 -0.054 0.000 1.072 166 A CA 0.508 52.510 52.037 -0.058 0.000 0.761 166 A CB 0.607 19.577 19.000 -0.051 0.000 1.004 166 A HN 0.671 nan 8.150 nan 0.000 0.499 167 A N 2.460 125.257 122.820 -0.038 0.000 1.898 167 A HA 0.261 4.583 4.320 0.004 0.000 0.216 167 A C 1.402 178.967 177.584 -0.032 0.000 1.181 167 A CA 2.069 54.086 52.037 -0.034 0.000 0.620 167 A CB -0.567 18.417 19.000 -0.026 0.000 0.819 167 A HN 1.677 nan 8.150 nan 0.000 0.442 168 T N -4.054 110.484 114.554 -0.028 0.000 2.841 168 T HA 0.551 4.904 4.350 0.004 0.000 0.296 168 T C -0.836 173.850 174.700 -0.023 0.000 1.166 168 T CA -0.987 61.099 62.100 -0.025 0.000 1.007 168 T CB 1.498 70.354 68.868 -0.019 0.000 1.253 168 T HN 0.081 nan 8.240 nan 0.000 0.511 169 E N 0.033 120.220 120.200 -0.021 0.000 2.376 169 E HA 0.494 4.847 4.350 0.004 0.000 0.254 169 E C 1.577 178.173 176.600 -0.007 0.000 1.213 169 E CA 0.000 56.391 56.400 -0.015 0.000 0.945 169 E CB 0.632 30.322 29.700 -0.016 0.000 1.057 169 E HN 0.847 nan 8.360 nan 0.000 0.479 170 A N 1.415 124.237 122.820 0.003 0.000 1.978 170 A HA -0.210 4.113 4.320 0.004 0.000 0.220 170 A C 1.293 178.875 177.584 -0.003 0.000 1.170 170 A CA 2.100 54.140 52.037 0.006 0.000 0.636 170 A CB -0.469 18.542 19.000 0.018 0.000 0.810 170 A HN 0.591 nan 8.150 nan 0.000 0.448 171 D N -2.295 118.101 120.400 -0.007 0.000 2.349 171 D HA 0.257 4.899 4.640 0.004 0.000 0.224 171 D C 1.181 177.473 176.300 -0.013 0.000 1.029 171 D CA 1.011 55.005 54.000 -0.011 0.000 0.879 171 D CB -0.522 40.270 40.800 -0.014 0.000 0.906 171 D HN 0.815 nan 8.370 nan 0.000 0.528 172 G N 0.310 109.103 108.800 -0.012 0.000 2.195 172 G HA2 -0.290 3.673 3.960 0.004 0.000 0.246 172 G HA3 -0.290 3.673 3.960 0.004 0.000 0.246 172 G C 0.436 175.326 174.900 -0.015 0.000 0.984 172 G CA 0.393 45.485 45.100 -0.014 0.000 0.633 172 G HN 0.812 nan 8.290 nan 0.000 0.525 173 S N 0.692 116.383 115.700 -0.016 0.000 2.600 173 S HA 0.637 5.110 4.470 0.004 0.000 0.265 173 S C -2.040 172.549 174.600 -0.019 0.000 1.325 173 S CA -0.865 57.325 58.200 -0.017 0.000 1.002 173 S CB 1.617 64.806 63.200 -0.018 0.000 0.921 173 S HN 0.177 nan 8.310 nan 0.000 0.554 174 P HA 0.184 nan 4.420 nan 0.000 0.269 174 P C -0.543 176.743 177.300 -0.023 0.000 1.209 174 P CA -0.375 62.713 63.100 -0.020 0.000 0.776 174 P CB 0.260 31.951 31.700 -0.016 0.000 0.876 175 N N 2.478 121.160 118.700 -0.030 0.000 2.431 175 N HA 0.018 4.760 4.740 0.004 0.000 0.265 175 N C 0.380 175.875 175.510 -0.026 0.000 1.184 175 N CA 0.284 53.310 53.050 -0.040 0.000 0.943 175 N CB 0.017 38.468 38.487 -0.060 0.000 1.080 175 N HN 0.240 nan 8.380 nan 0.000 0.477 176 R N 2.552 123.047 120.500 -0.009 0.000 2.468 176 R HA 0.213 4.555 4.340 0.004 0.000 0.280 176 R C 1.061 177.408 176.300 0.080 0.000 0.963 176 R CA 0.112 56.230 56.100 0.031 0.000 1.083 176 R CB -0.029 30.292 30.300 0.036 0.000 1.200 176 R HN 0.823 nan 8.270 nan 0.000 0.541 177 G N 0.950 109.756 108.800 0.009 0.000 2.569 177 G HA2 -0.387 3.576 3.960 0.004 0.000 0.259 177 G HA3 -0.387 3.576 3.960 0.004 0.000 0.259 177 G C -0.172 174.784 174.900 0.093 0.000 1.263 177 G CA 0.077 45.160 45.100 -0.028 0.000 0.928 177 G HN 0.416 nan 8.290 nan 0.000 0.572 178 Y N -0.437 119.858 120.300 -0.008 0.000 4.079 178 Y HA -0.212 4.340 4.550 0.004 0.000 0.223 178 Y C 1.490 177.410 175.900 0.034 0.000 1.155 178 Y CA 1.615 59.727 58.100 0.019 0.000 1.805 178 Y CB -1.568 36.889 38.460 -0.005 0.000 1.571 178 Y HN 0.661 nan 8.280 nan 0.000 0.654 179 K N -0.120 120.353 120.400 0.121 0.000 2.138 179 K HA 0.530 4.852 4.320 0.004 0.000 0.251 179 K C 0.181 176.952 176.600 0.285 0.000 1.015 179 K CA -0.616 55.746 56.287 0.125 0.000 0.917 179 K CB 1.154 33.627 32.500 -0.045 0.000 1.021 179 K HN -0.094 nan 8.250 nan 0.000 0.485 180 V N 3.061 123.109 119.914 0.224 0.000 2.432 180 V HA 0.159 4.282 4.120 0.004 0.000 0.275 180 V C 0.434 176.589 176.094 0.101 0.000 1.043 180 V CA -0.504 61.882 62.300 0.143 0.000 0.925 180 V CB 0.817 32.706 31.823 0.109 0.000 0.985 180 V HN 0.634 nan 8.190 nan 0.000 0.466 181 R N 3.184 123.556 120.500 -0.214 0.000 2.694 181 R HA 0.184 4.526 4.340 0.004 0.000 0.268 181 R C 0.117 176.220 176.300 -0.328 0.000 1.061 181 R CA -0.537 55.134 56.100 -0.715 0.000 1.133 181 R CB 0.242 30.058 30.300 -0.807 0.000 1.020 181 R HN 0.665 nan 8.270 nan 0.000 0.475 182 H N 3.660 122.591 119.070 -0.233 0.000 3.001 182 H HA -0.045 4.514 4.556 0.004 0.000 0.334 182 H C 0.567 175.882 175.328 -0.021 0.000 1.034 182 H CA 0.615 56.661 56.048 -0.004 0.000 1.420 182 H CB 0.590 30.374 29.762 0.038 0.000 1.405 182 H HN 0.527 nan 8.280 nan 0.000 0.593 183 K N 1.216 121.740 120.400 0.205 0.000 3.274 183 K HA -0.166 4.157 4.320 0.004 0.000 0.300 183 K C 0.963 177.595 176.600 0.053 0.000 1.230 183 K CA 1.037 57.401 56.287 0.128 0.000 0.884 183 K CB -1.681 30.871 32.500 0.086 0.000 1.242 183 K HN 0.859 nan 8.250 nan 0.000 0.467 184 G N -0.251 108.566 108.800 0.028 0.000 3.651 184 G HA2 0.336 4.298 3.960 0.004 0.000 0.279 184 G HA3 0.336 4.298 3.960 0.004 0.000 0.279 184 G C 1.044 175.944 174.900 0.000 0.000 1.024 184 G CA 0.366 45.453 45.100 -0.021 0.000 0.813 184 G HN 0.291 nan 8.290 nan 0.000 0.518 185 G N -0.345 108.492 108.800 0.062 0.000 2.880 185 G HA2 0.096 4.058 3.960 0.004 0.000 0.209 185 G HA3 0.096 4.058 3.960 0.004 0.000 0.209 185 G C 0.069 175.019 174.900 0.083 0.000 1.157 185 G CA -0.165 44.923 45.100 -0.020 0.000 0.779 185 G HN 0.381 nan 8.290 nan 0.000 0.539 186 Y N 1.844 122.140 120.300 -0.006 0.000 2.491 186 Y HA 0.505 5.056 4.550 0.003 0.000 0.334 186 Y C -1.169 174.566 175.900 -0.275 0.000 0.969 186 Y CA -1.861 56.172 58.100 -0.112 0.000 1.241 186 Y CB 0.408 38.731 38.460 -0.228 0.000 1.105 186 Y HN 0.068 nan 8.280 nan 0.000 0.503 187 F N 6.107 126.046 119.950 -0.018 0.000 2.971 187 F HA 0.471 5.000 4.527 0.003 0.000 0.373 187 F C -2.986 172.758 175.800 -0.093 0.000 1.288 187 F CA -3.715 54.202 58.000 -0.139 0.000 1.204 187 F CB -1.222 37.583 39.000 -0.326 0.000 1.852 187 F HN 0.194 nan 8.300 nan 0.000 0.624 188 P HA 0.222 nan 4.420 nan 0.000 0.269 188 P C 0.267 177.593 177.300 0.043 0.000 1.215 188 P CA -0.112 63.038 63.100 0.084 0.000 0.780 188 P CB 1.660 33.392 31.700 0.053 0.000 0.898 189 V N -0.890 119.040 119.914 0.027 0.000 3.237 189 V HA 0.426 4.548 4.120 0.004 0.000 0.305 189 V C 0.619 176.709 176.094 -0.007 0.000 1.096 189 V CA -0.802 61.496 62.300 -0.003 0.000 1.130 189 V CB -0.786 31.029 31.823 -0.014 0.000 1.048 189 V HN 0.784 nan 8.190 nan 0.000 0.484 190 A N 2.916 125.717 122.820 -0.031 0.000 2.507 190 A HA 0.470 4.792 4.320 0.004 0.000 0.235 190 A C -0.804 176.706 177.584 -0.123 0.000 1.070 190 A CA -0.322 51.675 52.037 -0.066 0.000 0.768 190 A CB -0.627 18.330 19.000 -0.071 0.000 1.011 190 A HN 0.948 nan 8.150 nan 0.000 0.502 191 P HA 0.016 nan 4.420 nan 0.000 0.249 191 P C 0.934 178.168 177.300 -0.111 0.000 1.229 191 P CA 0.058 62.993 63.100 -0.276 0.000 0.788 191 P CB 0.118 31.485 31.700 -0.554 0.000 1.072 192 N N 0.623 119.344 118.700 0.034 0.000 2.061 192 N HA -0.140 4.602 4.740 0.004 0.000 0.193 192 N C 0.415 175.954 175.510 0.048 0.000 1.030 192 N CA 1.310 54.439 53.050 0.132 0.000 0.856 192 N CB -0.540 38.025 38.487 0.129 0.000 1.023 192 N HN 0.162 nan 8.380 nan 0.000 0.424 193 D N 1.278 121.692 120.400 0.024 0.000 2.352 193 D HA 0.061 4.704 4.640 0.004 0.000 0.245 193 D C 0.263 176.594 176.300 0.053 0.000 1.224 193 D CA 0.160 54.214 54.000 0.091 0.000 0.879 193 D CB 0.445 41.301 40.800 0.094 0.000 1.057 193 D HN 0.173 nan 8.370 nan 0.000 0.491 194 Q N 2.807 122.608 119.800 0.000 0.000 2.280 194 Q HA 0.011 4.353 4.340 0.004 0.000 0.201 194 Q C -0.085 175.604 176.000 -0.518 0.000 0.890 194 Q CA 0.187 55.798 55.803 -0.320 0.000 0.947 194 Q CB 0.524 28.969 28.738 -0.488 0.000 1.081 194 Q HN 0.624 nan 8.270 nan 0.000 0.502 195 Y N -1.674 118.678 120.300 0.086 0.000 2.682 195 Y HA 0.119 4.672 4.550 0.004 0.000 0.251 195 Y C 1.553 177.474 175.900 0.035 0.000 1.172 195 Y CA -0.321 57.810 58.100 0.052 0.000 1.186 195 Y CB 0.514 38.992 38.460 0.030 0.000 1.216 195 Y HN -0.133 nan 8.280 nan 0.000 0.540 196 V N -0.018 119.963 119.914 0.112 0.000 2.255 196 V HA -0.292 3.831 4.120 0.004 0.000 0.247 196 V C 1.757 177.883 176.094 0.053 0.000 1.051 196 V CA 2.344 64.686 62.300 0.070 0.000 1.018 196 V CB -0.199 31.640 31.823 0.026 0.000 0.641 196 V HN 0.343 nan 8.190 nan 0.000 0.445 197 D N -0.285 120.135 120.400 0.033 0.000 2.117 197 D HA -0.136 4.507 4.640 0.004 0.000 0.197 197 D C 1.921 178.248 176.300 0.046 0.000 0.987 197 D CA 1.089 55.105 54.000 0.026 0.000 0.829 197 D CB -0.314 40.490 40.800 0.007 0.000 0.961 197 D HN 0.322 nan 8.370 nan 0.000 0.460 198 L N 1.015 122.282 121.223 0.074 0.000 2.056 198 L HA -0.075 4.267 4.340 0.004 0.000 0.207 198 L C 2.073 178.995 176.870 0.087 0.000 1.078 198 L CA 1.630 56.524 54.840 0.090 0.000 0.749 198 L CB -0.265 41.880 42.059 0.143 0.000 0.901 198 L HN -0.131 nan 8.230 nan 0.000 0.433 199 R N -0.519 120.041 120.500 0.100 0.000 2.115 199 R HA -0.132 4.211 4.340 0.004 0.000 0.230 199 R C 1.814 178.150 176.300 0.060 0.000 1.111 199 R CA 1.222 57.373 56.100 0.085 0.000 0.976 199 R CB -0.411 29.933 30.300 0.075 0.000 0.870 199 R HN 0.433 nan 8.270 nan 0.000 0.445 200 D N 0.688 121.117 120.400 0.048 0.000 2.144 200 D HA -0.127 4.515 4.640 0.004 0.000 0.199 200 D C 1.634 177.951 176.300 0.029 0.000 0.984 200 D CA 1.286 55.306 54.000 0.033 0.000 0.834 200 D CB 0.045 40.859 40.800 0.024 0.000 0.955 200 D HN 0.169 nan 8.370 nan 0.000 0.465 201 K N -0.218 120.202 120.400 0.033 0.000 2.097 201 K HA -0.018 4.304 4.320 0.004 0.000 0.205 201 K C 2.247 178.861 176.600 0.023 0.000 1.050 201 K CA 0.756 57.060 56.287 0.028 0.000 0.938 201 K CB -0.052 32.471 32.500 0.038 0.000 0.718 201 K HN 0.135 nan 8.250 nan 0.000 0.442 202 M N 0.615 120.229 119.600 0.024 0.000 2.086 202 M HA -0.181 4.301 4.480 0.004 0.000 0.261 202 M C 2.109 178.401 176.300 -0.013 0.000 1.067 202 M CA 1.596 56.894 55.300 -0.004 0.000 1.116 202 M CB -0.327 32.273 32.600 -0.000 0.000 1.348 202 M HN 0.103 nan 8.290 nan 0.000 0.407 203 L N -0.745 120.490 121.223 0.019 0.000 2.046 203 L HA -0.203 4.139 4.340 0.004 0.000 0.208 203 L C 2.491 179.369 176.870 0.014 0.000 1.077 203 L CA 1.304 56.159 54.840 0.026 0.000 0.747 203 L CB -0.888 41.197 42.059 0.043 0.000 0.896 203 L HN 0.329 nan 8.230 nan 0.000 0.432 204 T N -0.812 113.747 114.554 0.008 0.000 2.777 204 T HA -0.116 4.237 4.350 0.004 0.000 0.266 204 T C 1.706 176.397 174.700 -0.015 0.000 1.040 204 T CA 1.240 63.341 62.100 0.002 0.000 1.141 204 T CB -0.228 68.641 68.868 0.001 0.000 0.868 204 T HN 0.262 nan 8.240 nan 0.000 0.444 205 N N 1.263 119.942 118.700 -0.035 0.000 2.166 205 N HA 0.022 4.764 4.740 0.004 0.000 0.186 205 N C 1.816 177.291 175.510 -0.058 0.000 1.019 205 N CA 0.789 53.792 53.050 -0.078 0.000 0.856 205 N CB -0.502 37.928 38.487 -0.096 0.000 0.993 205 N HN 0.350 nan 8.380 nan 0.000 0.426 206 L N 0.349 121.532 121.223 -0.066 0.000 2.027 206 L HA -0.055 4.287 4.340 0.004 0.000 0.206 206 L C 2.123 179.069 176.870 0.125 0.000 1.074 206 L CA 0.767 55.554 54.840 -0.089 0.000 0.745 206 L CB -0.341 41.547 42.059 -0.284 0.000 0.898 206 L HN 0.084 nan 8.230 nan 0.000 0.433 207 I N 0.212 120.829 120.570 0.078 0.000 2.163 207 I HA -0.311 3.862 4.170 0.004 0.000 0.243 207 I C 1.872 178.032 176.117 0.072 0.000 1.085 207 I CA 1.234 62.589 61.300 0.091 0.000 1.347 207 I CB -0.397 37.636 38.000 0.054 0.000 1.044 207 I HN 0.350 nan 8.210 nan 0.000 0.408 208 N N 0.223 118.945 118.700 0.036 0.000 2.573 208 N HA -0.064 4.678 4.740 0.004 0.000 0.187 208 N C 1.236 176.757 175.510 0.018 0.000 1.107 208 N CA 0.694 53.750 53.050 0.010 0.000 0.918 208 N CB -0.038 38.434 38.487 -0.025 0.000 0.966 208 N HN 0.187 nan 8.380 nan 0.000 0.448 209 S N -0.925 114.824 115.700 0.082 0.000 2.582 209 S HA 0.316 4.789 4.470 0.004 0.000 0.234 209 S C 1.257 175.901 174.600 0.073 0.000 0.961 209 S CA 0.161 58.425 58.200 0.106 0.000 0.953 209 S CB 0.488 63.819 63.200 0.219 0.000 0.800 209 S HN 0.504 nan 8.310 nan 0.000 0.471 210 G N 1.235 110.067 108.800 0.053 0.000 2.159 210 G HA2 -0.261 3.702 3.960 0.004 0.000 0.256 210 G HA3 -0.261 3.702 3.960 0.004 0.000 0.256 210 G C -0.018 174.837 174.900 -0.076 0.000 0.977 210 G CA -0.432 44.644 45.100 -0.039 0.000 0.652 210 G HN 0.449 nan 8.290 nan 0.000 0.531 211 F N 0.371 120.295 119.950 -0.044 0.000 2.471 211 F HA 0.533 5.063 4.527 0.005 0.000 0.353 211 F C 1.312 177.116 175.800 0.006 0.000 1.113 211 F CA -0.249 57.731 58.000 -0.032 0.000 1.262 211 F CB 0.647 39.620 39.000 -0.045 0.000 1.146 211 F HN -0.023 nan 8.300 nan 0.000 0.578 212 I N 4.919 125.602 120.570 0.188 0.000 2.297 212 I HA 0.127 4.299 4.170 0.004 0.000 0.291 212 I C -0.574 175.655 176.117 0.185 0.000 1.033 212 I CA -0.373 61.001 61.300 0.123 0.000 1.253 212 I CB 0.457 38.472 38.000 0.024 0.000 1.396 212 I HN 0.205 nan 8.210 nan 0.000 0.476 213 L N 6.868 128.185 121.223 0.156 0.000 2.357 213 L HA 0.342 4.684 4.340 0.004 0.000 0.273 213 L C 0.981 177.917 176.870 0.110 0.000 1.080 213 L CA 0.390 55.328 54.840 0.162 0.000 0.803 213 L CB 1.389 43.527 42.059 0.133 0.000 1.174 213 L HN 0.704 nan 8.230 nan 0.000 0.443 214 E N 1.393 121.660 120.200 0.111 0.000 2.378 214 E HA 0.106 4.459 4.350 0.004 0.000 0.200 214 E C -0.414 176.233 176.600 0.079 0.000 0.882 214 E CA 0.116 56.563 56.400 0.078 0.000 1.061 214 E CB 1.109 30.847 29.700 0.063 0.000 1.049 214 E HN 0.587 nan 8.360 nan 0.000 0.494 215 K N -0.578 119.882 120.400 0.100 0.000 2.607 215 K HA 0.642 4.965 4.320 0.004 0.000 0.287 215 K C -0.961 175.708 176.600 0.115 0.000 0.996 215 K CA -1.067 55.285 56.287 0.107 0.000 0.876 215 K CB 1.866 34.445 32.500 0.131 0.000 1.496 215 K HN 0.061 nan 8.250 nan 0.000 0.415 216 G N 0.859 109.717 108.800 0.097 0.000 2.682 216 G HA2 0.715 4.677 3.960 0.004 0.000 0.300 216 G HA3 0.715 4.677 3.960 0.004 0.000 0.300 216 G C -1.770 173.165 174.900 0.058 0.000 1.391 216 G CA -0.599 44.525 45.100 0.040 0.000 0.990 216 G HN 0.992 nan 8.290 nan 0.000 0.501 217 H N -1.128 117.933 119.070 -0.014 0.000 3.003 217 H HA 0.536 5.093 4.556 0.003 0.000 0.327 217 H C -1.129 174.196 175.328 -0.005 0.000 1.353 217 H CA -1.049 54.980 56.048 -0.033 0.000 1.142 217 H CB 0.984 30.709 29.762 -0.061 0.000 1.864 217 H HN 0.508 nan 8.280 nan 0.000 0.529 218 H N 1.153 120.287 119.070 0.107 0.000 2.732 218 H HA 0.185 4.743 4.556 0.004 0.000 0.351 218 H C -0.257 175.192 175.328 0.202 0.000 1.090 218 H CA 0.410 56.495 56.048 0.062 0.000 1.431 218 H CB 0.942 30.776 29.762 0.121 0.000 1.447 218 H HN 0.670 nan 8.280 nan 0.000 0.582 219 E N 2.462 122.778 120.200 0.195 0.000 2.284 219 E HA 0.089 4.442 4.350 0.004 0.000 0.255 219 E C 1.497 178.319 176.600 0.369 0.000 1.052 219 E CA -0.765 55.815 56.400 0.300 0.000 0.904 219 E CB 1.697 31.391 29.700 -0.010 0.000 1.217 219 E HN 0.407 nan 8.360 nan 0.000 0.438 220 V N 0.482 120.568 119.914 0.286 0.000 2.392 220 V HA -0.176 3.946 4.120 0.004 0.000 0.249 220 V C 1.303 177.533 176.094 0.226 0.000 1.059 220 V CA 1.942 64.374 62.300 0.220 0.000 1.051 220 V CB -0.743 31.151 31.823 0.118 0.000 0.658 220 V HN 0.642 nan 8.190 nan 0.000 0.455 221 G N -0.079 108.849 108.800 0.213 0.000 2.398 221 G HA2 0.285 4.247 3.960 0.004 0.000 0.246 221 G HA3 0.285 4.247 3.960 0.004 0.000 0.246 221 G C 0.132 175.289 174.900 0.430 0.000 1.289 221 G CA 0.306 45.618 45.100 0.354 0.000 0.869 221 G HN 0.313 nan 8.290 nan 0.000 0.543 222 S N 0.536 116.504 115.700 0.447 0.000 2.584 222 S HA 0.437 4.909 4.470 0.004 0.000 0.270 222 S C 1.549 176.454 174.600 0.508 0.000 1.346 222 S CA 1.046 59.458 58.200 0.354 0.000 1.018 222 S CB 0.259 63.530 63.200 0.118 0.000 0.899 222 S HN 2.246 nan 8.310 nan 0.000 0.542 223 G N 1.228 110.236 108.800 0.346 0.000 2.198 223 G HA2 0.082 4.044 3.960 0.004 0.000 0.257 223 G HA3 0.082 4.044 3.960 0.004 0.000 0.257 223 G C 1.025 176.210 174.900 0.474 0.000 1.042 223 G CA 0.478 45.856 45.100 0.464 0.000 0.791 223 G HN 2.136 nan 8.290 nan 0.000 0.502 224 G N -1.451 107.480 108.800 0.218 0.000 2.165 224 G HA2 -0.137 3.825 3.960 0.004 0.000 0.226 224 G HA3 -0.137 3.825 3.960 0.004 0.000 0.226 224 G C 0.156 174.616 174.900 -0.732 0.000 1.035 224 G CA 0.976 45.770 45.100 -0.509 0.000 0.744 224 G HN 1.311 nan 8.290 nan 0.000 0.501 225 Q N -0.246 119.156 119.800 -0.665 0.000 2.392 225 Q HA 0.607 4.949 4.340 0.004 0.000 0.262 225 Q C 0.367 175.760 176.000 -1.013 0.000 1.003 225 Q CA 0.704 55.867 55.803 -1.067 0.000 0.888 225 Q CB 0.780 28.906 28.738 -1.019 0.000 1.260 225 Q HN 1.259 nan 8.270 nan 0.000 0.435 226 A N 3.279 125.435 122.820 -1.107 0.000 2.594 226 A HA 0.667 4.990 4.320 0.004 0.000 0.291 226 A C -1.616 175.312 177.584 -1.094 0.000 1.105 226 A CA -0.604 50.777 52.037 -1.092 0.000 0.694 226 A CB 2.116 20.367 19.000 -1.249 0.000 1.291 226 A HN 0.772 nan 8.150 nan 0.000 0.410 227 E N 0.314 120.051 120.200 -0.772 0.000 2.335 227 E HA 0.620 4.972 4.350 0.004 0.000 0.280 227 E C -2.084 174.373 176.600 -0.237 0.000 0.918 227 E CA -0.409 55.714 56.400 -0.462 0.000 0.765 227 E CB 1.615 31.049 29.700 -0.442 0.000 1.218 227 E HN 0.580 nan 8.360 nan 0.000 0.425 228 I N 3.273 123.933 120.570 0.151 0.000 2.498 228 I HA 0.354 4.526 4.170 0.004 0.000 0.290 228 I C -0.744 175.496 176.117 0.205 0.000 1.032 228 I CA -0.718 60.719 61.300 0.228 0.000 1.073 228 I CB 2.129 40.370 38.000 0.402 0.000 1.251 228 I HN 0.451 nan 8.210 nan 0.000 0.426 229 N N 5.585 124.362 118.700 0.129 0.000 2.372 229 N HA 0.546 5.289 4.740 0.004 0.000 0.291 229 N C -1.553 174.021 175.510 0.107 0.000 1.024 229 N CA -0.690 52.372 53.050 0.021 0.000 0.873 229 N CB 1.634 40.133 38.487 0.020 0.000 1.206 229 N HN 0.427 nan 8.380 nan 0.000 0.486 230 Y N -0.863 119.471 120.300 0.058 0.000 2.562 230 Y HA 0.378 4.928 4.550 0.000 0.000 0.343 230 Y C 0.110 176.061 175.900 0.085 0.000 1.025 230 Y CA -1.415 56.753 58.100 0.113 0.000 1.082 230 Y CB 0.626 39.238 38.460 0.253 0.000 1.264 230 Y HN 0.378 nan 8.280 nan 0.000 0.478 231 Q N 2.191 122.090 119.800 0.165 0.000 2.333 231 Q HA 0.129 4.472 4.340 0.004 0.000 0.299 231 Q C -0.490 175.484 176.000 -0.044 0.000 1.067 231 Q CA -0.288 55.488 55.803 -0.045 0.000 0.943 231 Q CB 0.284 28.916 28.738 -0.178 0.000 1.233 231 Q HN 0.644 nan 8.270 nan 0.000 0.401 232 F N 2.016 121.960 119.950 -0.011 0.000 2.532 232 F HA 0.403 4.929 4.527 -0.003 0.000 0.323 232 F C 0.143 176.018 175.800 0.125 0.000 1.234 232 F CA -0.581 57.439 58.000 0.034 0.000 1.323 232 F CB 0.368 39.350 39.000 -0.029 0.000 1.183 232 F HN 0.504 nan 8.300 nan 0.000 0.589 233 N N -1.448 117.524 118.700 0.453 0.000 3.106 233 N HA 0.259 5.001 4.740 0.004 0.000 0.253 233 N C -1.627 174.232 175.510 0.582 0.000 1.506 233 N CA -0.182 53.136 53.050 0.446 0.000 0.876 233 N CB 1.904 40.570 38.487 0.298 0.000 1.452 233 N HN 0.867 nan 8.380 nan 0.000 0.542 234 S N 0.117 116.060 115.700 0.405 0.000 2.593 234 S HA 0.188 4.660 4.470 0.004 0.000 0.269 234 S C 1.852 176.561 174.600 0.182 0.000 1.334 234 S CA -0.509 57.780 58.200 0.148 0.000 1.015 234 S CB 0.674 63.845 63.200 -0.049 0.000 0.912 234 S HN 0.604 nan 8.310 nan 0.000 0.541 235 L N 1.006 122.326 121.223 0.161 0.000 1.987 235 L HA -0.218 4.125 4.340 0.004 0.000 0.230 235 L C 2.489 179.425 176.870 0.110 0.000 1.089 235 L CA 2.193 57.087 54.840 0.090 0.000 0.802 235 L CB -0.548 41.522 42.059 0.018 0.000 0.905 235 L HN 0.819 nan 8.230 nan 0.000 0.441 236 L N -0.688 120.562 121.223 0.045 0.000 1.989 236 L HA -0.285 4.058 4.340 0.004 0.000 0.211 236 L C 2.579 179.546 176.870 0.162 0.000 1.071 236 L CA 1.940 56.835 54.840 0.093 0.000 0.749 236 L CB -1.014 41.072 42.059 0.046 0.000 0.890 236 L HN 0.370 nan 8.230 nan 0.000 0.431 237 H N -0.037 119.116 119.070 0.137 0.000 2.352 237 H HA -0.077 4.479 4.556 0.001 0.000 0.299 237 H C 2.211 177.618 175.328 0.132 0.000 1.097 237 H CA 1.435 57.547 56.048 0.107 0.000 1.311 237 H CB -0.898 28.917 29.762 0.089 0.000 1.377 237 H HN 0.534 nan 8.280 nan 0.000 0.504 238 A N 0.927 123.951 122.820 0.341 0.000 1.933 238 A HA -0.075 4.247 4.320 0.004 0.000 0.218 238 A C 2.677 180.487 177.584 0.376 0.000 1.175 238 A CA 1.860 54.143 52.037 0.410 0.000 0.628 238 A CB -0.794 18.488 19.000 0.471 0.000 0.814 238 A HN 0.455 nan 8.150 nan 0.000 0.444 239 A N -0.382 122.535 122.820 0.161 0.000 1.929 239 A HA -0.119 4.204 4.320 0.004 0.000 0.216 239 A C 1.804 179.135 177.584 -0.422 0.000 1.176 239 A CA 1.622 53.417 52.037 -0.403 0.000 0.628 239 A CB -0.435 18.104 19.000 -0.770 0.000 0.816 239 A HN 0.451 nan 8.150 nan 0.000 0.444 240 D N 0.306 120.663 120.400 -0.072 0.000 2.117 240 D HA -0.129 4.513 4.640 0.004 0.000 0.197 240 D C 1.244 177.556 176.300 0.019 0.000 0.987 240 D CA 1.353 55.379 54.000 0.043 0.000 0.829 240 D CB -0.325 40.552 40.800 0.128 0.000 0.961 240 D HN 0.334 nan 8.370 nan 0.000 0.460 241 D N 0.207 120.637 120.400 0.050 0.000 2.104 241 D HA -0.159 4.484 4.640 0.004 0.000 0.194 241 D C 1.979 178.399 176.300 0.201 0.000 0.994 241 D CA 0.659 54.695 54.000 0.059 0.000 0.830 241 D CB -0.278 40.595 40.800 0.122 0.000 0.959 241 D HN 0.114 nan 8.370 nan 0.000 0.452 242 M N 0.821 120.538 119.600 0.194 0.000 2.065 242 M HA -0.184 4.299 4.480 0.004 0.000 0.259 242 M C 1.793 178.151 176.300 0.097 0.000 1.069 242 M CA 1.563 56.970 55.300 0.178 0.000 1.110 242 M CB -0.447 32.177 32.600 0.039 0.000 1.328 242 M HN -0.151 nan 8.290 nan 0.000 0.405 243 Q N -0.344 119.442 119.800 -0.023 0.000 2.084 243 Q HA -0.151 4.192 4.340 0.004 0.000 0.202 243 Q C 2.225 178.257 176.000 0.053 0.000 0.978 243 Q CA 1.645 57.433 55.803 -0.027 0.000 0.844 243 Q CB -1.048 27.673 28.738 -0.030 0.000 0.898 243 Q HN 0.552 nan 8.270 nan 0.000 0.426 244 L N -0.109 121.190 121.223 0.127 0.000 2.056 244 L HA -0.154 4.189 4.340 0.004 0.000 0.207 244 L C 2.309 179.335 176.870 0.259 0.000 1.078 244 L CA 1.572 56.541 54.840 0.216 0.000 0.749 244 L CB -0.881 41.328 42.059 0.249 0.000 0.901 244 L HN 0.193 nan 8.230 nan 0.000 0.433 245 Y N 0.570 120.919 120.300 0.082 0.000 2.128 245 Y HA -0.316 4.238 4.550 0.005 0.000 0.284 245 Y C 2.391 178.222 175.900 -0.114 0.000 1.154 245 Y CA 2.316 60.308 58.100 -0.179 0.000 1.149 245 Y CB -0.206 38.125 38.460 -0.216 0.000 0.976 245 Y HN 0.166 nan 8.280 nan 0.000 0.505 246 K N -0.970 119.372 120.400 -0.096 0.000 2.097 246 K HA -0.247 4.075 4.320 0.004 0.000 0.206 246 K C 1.998 178.487 176.600 -0.186 0.000 1.049 246 K CA 1.740 57.819 56.287 -0.347 0.000 0.933 246 K CB -0.636 31.563 32.500 -0.501 0.000 0.717 246 K HN 0.468 nan 8.250 nan 0.000 0.442 247 Y N 1.630 121.821 120.300 -0.181 0.000 2.145 247 Y HA -0.197 4.355 4.550 0.003 0.000 0.286 247 Y C 1.812 177.644 175.900 -0.114 0.000 1.145 247 Y CA 1.375 59.389 58.100 -0.142 0.000 1.148 247 Y CB -0.136 38.276 38.460 -0.081 0.000 0.981 247 Y HN -0.057 nan 8.280 nan 0.000 0.507 248 I N -0.575 119.937 120.570 -0.096 0.000 2.252 248 I HA -0.284 3.888 4.170 0.004 0.000 0.245 248 I C 2.011 178.006 176.117 -0.204 0.000 1.102 248 I CA 0.602 61.886 61.300 -0.027 0.000 1.385 248 I CB -0.316 37.681 38.000 -0.006 0.000 1.064 248 I HN 0.240 nan 8.210 nan 0.000 0.414 249 I N 1.096 121.420 120.570 -0.409 0.000 2.142 249 I HA -0.271 3.902 4.170 0.004 0.000 0.240 249 I C 2.435 178.313 176.117 -0.399 0.000 1.078 249 I CA 1.707 62.693 61.300 -0.524 0.000 1.343 249 I CB -1.250 36.210 38.000 -0.901 0.000 1.046 249 I HN 0.212 nan 8.210 nan 0.000 0.405 250 K N 0.535 120.742 120.400 -0.321 0.000 2.063 250 K HA -0.161 4.161 4.320 0.004 0.000 0.208 250 K C 1.811 178.233 176.600 -0.297 0.000 1.048 250 K CA 1.397 57.542 56.287 -0.237 0.000 0.928 250 K CB -0.117 32.273 32.500 -0.183 0.000 0.713 250 K HN 0.385 nan 8.250 nan 0.000 0.442 251 N N -0.270 118.075 118.700 -0.592 0.000 2.395 251 N HA -0.037 4.706 4.740 0.004 0.000 0.175 251 N C 1.527 176.629 175.510 -0.679 0.000 1.029 251 N CA 0.910 53.433 53.050 -0.879 0.000 0.897 251 N CB 0.180 37.563 38.487 -1.839 0.000 0.991 251 N HN 0.138 nan 8.380 nan 0.000 0.441 252 T N 1.419 115.762 114.554 -0.351 0.000 2.708 252 T HA -0.069 4.284 4.350 0.004 0.000 0.266 252 T C 2.104 176.790 174.700 -0.025 0.000 1.037 252 T CA 1.317 63.418 62.100 0.002 0.000 1.146 252 T CB -0.225 68.684 68.868 0.069 0.000 0.865 252 T HN 0.275 nan 8.240 nan 0.000 0.435 253 A N 1.421 124.205 122.820 -0.059 0.000 1.883 253 A HA -0.158 4.164 4.320 0.004 0.000 0.217 253 A C 2.180 179.783 177.584 0.031 0.000 1.186 253 A CA 1.497 53.531 52.037 -0.005 0.000 0.624 253 A CB -1.192 17.797 19.000 -0.017 0.000 0.822 253 A HN 0.721 nan 8.150 nan 0.000 0.444 254 W N 0.605 121.807 121.300 -0.163 0.000 2.335 254 W HA -0.200 4.462 4.660 0.003 0.000 0.311 254 W C 2.127 178.584 176.519 -0.102 0.000 1.213 254 W CA 2.059 59.321 57.345 -0.138 0.000 1.274 254 W CB -0.339 28.997 29.460 -0.206 0.000 1.148 254 W HN 0.507 nan 8.180 nan 0.000 0.498 255 Q N -0.677 119.163 119.800 0.066 0.000 2.364 255 Q HA -0.126 4.217 4.340 0.004 0.000 0.207 255 Q C 0.874 176.867 176.000 -0.012 0.000 0.970 255 Q CA 0.808 56.633 55.803 0.037 0.000 0.888 255 Q CB -0.205 28.584 28.738 0.086 0.000 0.951 255 Q HN 0.291 nan 8.270 nan 0.000 0.469 256 N N -0.948 117.735 118.700 -0.028 0.000 2.275 256 N HA 0.101 4.843 4.740 0.004 0.000 0.236 256 N C 0.297 175.773 175.510 -0.057 0.000 1.154 256 N CA 0.637 53.673 53.050 -0.023 0.000 0.866 256 N CB 1.638 40.133 38.487 0.014 0.000 1.093 256 N HN 0.285 nan 8.380 nan 0.000 0.515 257 G N 0.901 109.617 108.800 -0.141 0.000 2.143 257 G HA2 -0.243 3.720 3.960 0.004 0.000 0.249 257 G HA3 -0.243 3.720 3.960 0.004 0.000 0.249 257 G C 0.223 175.036 174.900 -0.145 0.000 0.981 257 G CA 0.306 45.300 45.100 -0.176 0.000 0.665 257 G HN 0.158 nan 8.290 nan 0.000 0.528 258 K N -0.533 119.803 120.400 -0.107 0.000 2.303 258 K HA 0.845 5.168 4.320 0.004 0.000 0.233 258 K C -0.390 176.205 176.600 -0.008 0.000 1.046 258 K CA -0.237 56.044 56.287 -0.010 0.000 0.895 258 K CB 1.472 34.018 32.500 0.076 0.000 1.220 258 K HN 0.230 nan 8.250 nan 0.000 0.470 259 T N -0.093 114.527 114.554 0.110 0.000 2.991 259 T HA 0.425 4.777 4.350 0.004 0.000 0.303 259 T C -1.432 173.376 174.700 0.180 0.000 1.015 259 T CA -0.551 61.677 62.100 0.214 0.000 1.007 259 T CB 0.873 69.899 68.868 0.263 0.000 1.034 259 T HN 0.123 nan 8.240 nan 0.000 0.446 260 V N 4.162 124.148 119.914 0.120 0.000 2.547 260 V HA 0.757 4.879 4.120 0.004 0.000 0.299 260 V C 0.495 176.609 176.094 0.033 0.000 1.040 260 V CA -0.540 61.753 62.300 -0.012 0.000 0.913 260 V CB 1.934 33.654 31.823 -0.172 0.000 0.992 260 V HN 0.978 nan 8.190 nan 0.000 0.449 261 T N 3.388 117.923 114.554 -0.031 0.000 2.861 261 T HA 0.554 4.906 4.350 0.004 0.000 0.287 261 T C -0.212 174.468 174.700 -0.032 0.000 1.003 261 T CA -0.243 61.896 62.100 0.066 0.000 0.977 261 T CB 0.748 69.722 68.868 0.177 0.000 0.996 261 T HN 0.385 nan 8.240 nan 0.000 0.448 262 F N 3.542 123.555 119.950 0.105 0.000 2.641 262 F HA 0.345 4.874 4.527 0.003 0.000 0.302 262 F C 1.289 177.157 175.800 0.114 0.000 1.098 262 F CA -0.685 57.392 58.000 0.128 0.000 1.318 262 F CB 0.166 39.228 39.000 0.104 0.000 1.035 262 F HN 0.511 nan 8.300 nan 0.000 0.551 263 M N -0.021 119.715 119.600 0.225 0.000 2.249 263 M HA 0.195 4.678 4.480 0.004 0.000 0.340 263 M C -2.005 174.378 176.300 0.140 0.000 1.166 263 M CA -1.246 54.142 55.300 0.147 0.000 1.115 263 M CB 0.286 32.931 32.600 0.075 0.000 1.606 263 M HN -0.221 nan 8.290 nan 0.000 0.448 264 P HA -0.090 nan 4.420 nan 0.000 0.215 264 P C -0.213 177.132 177.300 0.075 0.000 1.153 264 P CA 1.682 64.830 63.100 0.080 0.000 0.853 264 P CB 0.144 31.861 31.700 0.028 0.000 0.788 265 K N -1.333 119.092 120.400 0.043 0.000 2.895 265 K HA 0.214 4.536 4.320 0.004 0.000 0.191 265 K C -2.289 174.302 176.600 -0.015 0.000 1.117 265 K CA -1.495 54.804 56.287 0.020 0.000 0.988 265 K CB 0.461 32.956 32.500 -0.007 0.000 1.181 265 K HN -0.109 nan 8.250 nan 0.000 0.598 266 P HA 0.011 nan 4.420 nan 0.000 0.230 266 P C -0.311 176.962 177.300 -0.045 0.000 1.168 266 P CA 0.369 63.447 63.100 -0.037 0.000 0.793 266 P CB 0.575 32.320 31.700 0.075 0.000 0.851 267 L N -0.216 120.977 121.223 -0.049 0.000 2.322 267 L HA 0.432 4.774 4.340 0.004 0.000 0.281 267 L C -0.156 176.741 176.870 0.046 0.000 1.014 267 L CA -1.336 53.503 54.840 -0.002 0.000 0.815 267 L CB 1.440 43.516 42.059 0.028 0.000 1.247 267 L HN -0.177 nan 8.230 nan 0.000 0.421 268 F N 2.392 122.291 119.950 -0.085 0.000 2.420 268 F HA 0.560 5.090 4.527 0.004 0.000 0.352 268 F C 0.996 176.711 175.800 -0.140 0.000 1.108 268 F CA -0.127 57.807 58.000 -0.110 0.000 1.162 268 F CB 1.061 40.025 39.000 -0.060 0.000 1.118 268 F HN 0.682 nan 8.300 nan 0.000 0.510 269 G N 3.452 111.834 108.800 -0.696 0.000 2.136 269 G HA2 -0.196 3.766 3.960 0.004 0.000 0.242 269 G HA3 -0.196 3.766 3.960 0.004 0.000 0.242 269 G C -0.518 174.223 174.900 -0.265 0.000 0.989 269 G CA 0.174 44.918 45.100 -0.592 0.000 0.682 269 G HN 0.832 nan 8.290 nan 0.000 0.522 270 D N -0.933 119.303 120.400 -0.274 0.000 2.596 270 D HA 0.394 5.037 4.640 0.004 0.000 0.262 270 D C -0.169 176.048 176.300 -0.138 0.000 1.210 270 D CA -0.741 53.267 54.000 0.013 0.000 0.873 270 D CB 0.789 41.746 40.800 0.262 0.000 1.408 270 D HN -0.055 nan 8.370 nan 0.000 0.441 271 N N -0.423 118.367 118.700 0.151 0.000 2.407 271 N HA 0.337 5.079 4.740 0.004 0.000 0.250 271 N C 0.326 175.914 175.510 0.131 0.000 1.236 271 N CA 0.441 53.575 53.050 0.140 0.000 0.879 271 N CB 0.628 39.239 38.487 0.206 0.000 1.088 271 N HN 0.372 nan 8.380 nan 0.000 0.450 272 G N -0.161 108.677 108.800 0.065 0.000 2.588 272 G HA2 0.334 4.297 3.960 0.004 0.000 0.281 272 G HA3 0.334 4.297 3.960 0.004 0.000 0.281 272 G C -0.682 174.299 174.900 0.134 0.000 1.236 272 G CA -0.466 44.700 45.100 0.111 0.000 0.969 272 G HN 0.450 nan 8.290 nan 0.000 0.504 273 S N -0.704 115.076 115.700 0.134 0.000 2.438 273 S HA 0.631 5.103 4.470 0.004 0.000 0.316 273 S C 0.537 175.179 174.600 0.069 0.000 1.084 273 S CA -0.358 57.887 58.200 0.074 0.000 1.107 273 S CB 1.354 64.611 63.200 0.094 0.000 0.981 273 S HN 0.930 nan 8.310 nan 0.000 0.466 274 G N 1.451 110.254 108.800 0.004 0.000 2.521 274 G HA2 0.641 4.604 3.960 0.004 0.000 0.323 274 G HA3 0.641 4.604 3.960 0.004 0.000 0.323 274 G C -0.699 174.171 174.900 -0.050 0.000 1.211 274 G CA -0.725 44.361 45.100 -0.024 0.000 0.979 274 G HN 0.627 nan 8.290 nan 0.000 0.490 275 M N 1.724 121.328 119.600 0.007 0.000 2.389 275 M HA 0.273 4.756 4.480 0.004 0.000 0.206 275 M C -0.715 175.667 176.300 0.138 0.000 0.976 275 M CA -0.497 54.849 55.300 0.077 0.000 0.648 275 M CB -0.106 32.600 32.600 0.177 0.000 1.474 275 M HN 0.710 nan 8.290 nan 0.000 0.398 276 H N 0.671 119.819 119.070 0.129 0.000 3.001 276 H HA 0.063 4.621 4.556 0.003 0.000 0.334 276 H C -0.436 174.995 175.328 0.172 0.000 1.034 276 H CA -0.201 55.911 56.048 0.106 0.000 1.420 276 H CB 0.536 30.361 29.762 0.105 0.000 1.405 276 H HN 0.525 nan 8.280 nan 0.000 0.593 277 C N 5.045 124.512 119.300 0.279 0.000 2.294 277 C HA 0.150 4.612 4.460 0.004 0.000 0.319 277 C C 0.266 175.330 174.990 0.124 0.000 1.164 277 C CA -0.799 58.363 59.018 0.241 0.000 1.497 277 C CB -0.795 27.126 27.740 0.301 0.000 2.061 277 C HN 0.828 nan 8.230 nan 0.000 0.438 278 H N 2.576 121.656 119.070 0.017 0.000 2.803 278 H HA 0.232 4.792 4.556 0.006 0.000 0.330 278 H C -0.196 174.989 175.328 -0.237 0.000 1.057 278 H CA 0.549 56.554 56.048 -0.073 0.000 1.458 278 H CB 0.944 30.666 29.762 -0.067 0.000 1.470 278 H HN 0.644 nan 8.280 nan 0.000 0.560 279 Q N 1.606 121.275 119.800 -0.219 0.000 2.331 279 Q HA 0.404 4.747 4.340 0.004 0.000 0.272 279 Q C -1.058 174.724 176.000 -0.363 0.000 1.062 279 Q CA -0.872 54.648 55.803 -0.473 0.000 0.806 279 Q CB 2.757 31.114 28.738 -0.634 0.000 1.312 279 Q HN 0.760 nan 8.270 nan 0.000 0.431 280 S N 1.556 117.090 115.700 -0.278 0.000 2.541 280 S HA 0.689 5.161 4.470 0.004 0.000 0.271 280 S C -1.292 173.353 174.600 0.075 0.000 1.133 280 S CA -0.826 57.322 58.200 -0.086 0.000 0.876 280 S CB 0.992 64.270 63.200 0.131 0.000 1.105 280 S HN 0.509 nan 8.310 nan 0.000 0.470 281 L N 1.821 123.095 121.223 0.084 0.000 2.317 281 L HA 0.681 5.023 4.340 0.004 0.000 0.281 281 L C -1.223 175.833 176.870 0.310 0.000 1.024 281 L CA -0.496 54.450 54.840 0.177 0.000 0.810 281 L CB 1.220 43.321 42.059 0.069 0.000 1.240 281 L HN 0.725 nan 8.230 nan 0.000 0.427 282 W N 2.314 123.640 121.300 0.044 0.000 2.864 282 W HA 0.637 5.301 4.660 0.006 0.000 0.343 282 W C -0.421 176.126 176.519 0.047 0.000 1.109 282 W CA -0.726 56.669 57.345 0.083 0.000 1.192 282 W CB 1.765 31.352 29.460 0.212 0.000 1.426 282 W HN 0.198 nan 8.180 nan 0.000 0.529 283 K N 1.791 122.326 120.400 0.225 0.000 2.535 283 K HA 0.191 4.514 4.320 0.004 0.000 0.251 283 K C -0.769 175.913 176.600 0.136 0.000 0.942 283 K CA -0.384 55.989 56.287 0.144 0.000 0.798 283 K CB 1.303 33.845 32.500 0.070 0.000 1.267 283 K HN 0.590 nan 8.250 nan 0.000 0.434 284 D N 2.872 123.351 120.400 0.130 0.000 2.751 284 D HA -0.196 4.446 4.640 0.004 0.000 0.233 284 D C 0.538 176.932 176.300 0.156 0.000 1.149 284 D CA 1.813 55.881 54.000 0.114 0.000 0.682 284 D CB -1.129 39.713 40.800 0.071 0.000 1.068 284 D HN 1.109 nan 8.370 nan 0.000 0.429 285 G N -1.377 107.576 108.800 0.256 0.000 2.143 285 G HA2 -0.044 3.919 3.960 0.004 0.000 0.248 285 G HA3 -0.044 3.919 3.960 0.004 0.000 0.248 285 G C 0.274 175.421 174.900 0.411 0.000 0.991 285 G CA 0.693 46.009 45.100 0.359 0.000 0.689 285 G HN 1.241 nan 8.290 nan 0.000 0.522 286 A N 0.239 123.203 122.820 0.239 0.000 2.365 286 A HA 0.922 5.245 4.320 0.004 0.000 0.318 286 A C -2.389 174.846 177.584 -0.582 0.000 1.091 286 A CA -1.552 50.415 52.037 -0.116 0.000 0.763 286 A CB 2.283 21.233 19.000 -0.084 0.000 1.248 286 A HN 0.146 nan 8.150 nan 0.000 0.442 287 P HA 0.321 nan 4.420 nan 0.000 0.278 287 P C -0.119 176.801 177.300 -0.632 0.000 1.238 287 P CA -0.109 62.073 63.100 -1.529 0.000 0.794 287 P CB 1.023 31.913 31.700 -1.349 0.000 0.955 288 L N 1.327 122.275 121.223 -0.459 0.000 2.858 288 L HA 0.196 4.539 4.340 0.004 0.000 0.251 288 L C 1.857 178.644 176.870 -0.138 0.000 1.149 288 L CA 0.173 54.888 54.840 -0.209 0.000 0.955 288 L CB -0.216 41.771 42.059 -0.120 0.000 1.289 288 L HN 0.211 nan 8.230 nan 0.000 0.542 289 M N -0.733 118.780 119.600 -0.144 0.000 2.541 289 M HA 0.092 4.574 4.480 0.004 0.000 0.252 289 M C 0.188 176.473 176.300 -0.026 0.000 1.125 289 M CA 0.567 55.816 55.300 -0.085 0.000 1.091 289 M CB -0.547 32.004 32.600 -0.083 0.000 1.420 289 M HN 0.038 nan 8.290 nan 0.000 0.486 290 Y N 1.536 121.748 120.300 -0.147 0.000 2.330 290 Y HA 0.400 4.957 4.550 0.010 0.000 0.336 290 Y C -0.857 174.985 175.900 -0.096 0.000 1.036 290 Y CA -0.932 57.099 58.100 -0.115 0.000 1.125 290 Y CB 0.762 39.148 38.460 -0.122 0.000 1.194 290 Y HN -0.009 nan 8.280 nan 0.000 0.469 291 D N 5.204 125.187 120.400 -0.696 0.000 2.602 291 D HA 0.077 4.719 4.640 0.004 0.000 0.245 291 D C 0.439 176.271 176.300 -0.779 0.000 1.325 291 D CA -0.307 53.349 54.000 -0.575 0.000 0.952 291 D CB 1.458 42.092 40.800 -0.275 0.000 1.317 291 D HN 0.890 nan 8.370 nan 0.000 0.577 292 E N 1.563 121.325 120.200 -0.729 0.000 2.233 292 E HA -0.223 4.130 4.350 0.004 0.000 0.199 292 E C 1.163 177.625 176.600 -0.229 0.000 1.004 292 E CA 1.853 58.011 56.400 -0.404 0.000 0.819 292 E CB 0.387 30.034 29.700 -0.089 0.000 0.738 292 E HN 0.541 nan 8.360 nan 0.000 0.478 293 T N -3.213 111.225 114.554 -0.193 0.000 3.060 293 T HA 0.236 4.588 4.350 0.004 0.000 0.249 293 T C 0.810 175.454 174.700 -0.094 0.000 1.079 293 T CA 0.069 62.102 62.100 -0.112 0.000 1.013 293 T CB 0.626 69.448 68.868 -0.077 0.000 0.975 293 T HN 0.129 nan 8.240 nan 0.000 0.518 294 G N 0.432 109.153 108.800 -0.131 0.000 2.572 294 G HA2 0.417 4.379 3.960 0.004 0.000 0.261 294 G HA3 0.417 4.379 3.960 0.004 0.000 0.261 294 G C -0.795 174.091 174.900 -0.024 0.000 1.197 294 G CA -0.935 44.126 45.100 -0.065 0.000 0.870 294 G HN 0.449 nan 8.290 nan 0.000 0.548 295 Y N 1.204 121.477 120.300 -0.044 0.000 2.712 295 Y HA 0.225 4.778 4.550 0.005 0.000 0.333 295 Y C 1.164 177.058 175.900 -0.010 0.000 1.225 295 Y CA 0.754 58.840 58.100 -0.024 0.000 1.499 295 Y CB 0.439 38.898 38.460 -0.002 0.000 1.288 295 Y HN 1.362 nan 8.280 nan 0.000 0.575 296 A N 3.825 126.142 122.820 -0.838 0.000 2.790 296 A HA -0.174 4.148 4.320 0.004 0.000 0.277 296 A C 1.556 178.993 177.584 -0.244 0.000 1.435 296 A CA 1.514 53.199 52.037 -0.586 0.000 0.877 296 A CB -2.408 16.230 19.000 -0.604 0.000 1.007 296 A HN 2.623 nan 8.150 nan 0.000 0.613 297 G N -2.692 105.973 108.800 -0.225 0.000 2.221 297 G HA2 -0.173 3.790 3.960 0.004 0.000 0.265 297 G HA3 -0.173 3.790 3.960 0.004 0.000 0.265 297 G C -0.078 174.647 174.900 -0.291 0.000 1.041 297 G CA 0.542 45.478 45.100 -0.274 0.000 0.807 297 G HN 1.461 nan 8.290 nan 0.000 0.502 298 L N 1.341 122.460 121.223 -0.173 0.000 2.295 298 L HA 0.578 4.921 4.340 0.004 0.000 0.285 298 L C 1.334 178.114 176.870 -0.150 0.000 1.035 298 L CA -0.320 54.448 54.840 -0.120 0.000 0.806 298 L CB 1.646 43.691 42.059 -0.023 0.000 1.214 298 L HN 0.412 nan 8.230 nan 0.000 0.426 299 S N 0.599 116.207 115.700 -0.153 0.000 2.606 299 S HA 0.071 4.544 4.470 0.004 0.000 0.257 299 S C 0.652 175.158 174.600 -0.158 0.000 1.327 299 S CA -0.543 57.571 58.200 -0.144 0.000 0.984 299 S CB 0.858 63.990 63.200 -0.114 0.000 0.941 299 S HN 0.618 nan 8.310 nan 0.000 0.576 300 D N 1.033 121.331 120.400 -0.170 0.000 2.117 300 D HA -0.050 4.592 4.640 0.004 0.000 0.197 300 D C 2.047 178.161 176.300 -0.310 0.000 0.987 300 D CA 1.735 55.555 54.000 -0.299 0.000 0.829 300 D CB -1.023 39.670 40.800 -0.179 0.000 0.961 300 D HN 0.694 nan 8.370 nan 0.000 0.460 301 T N 0.905 115.402 114.554 -0.096 0.000 2.684 301 T HA -0.164 4.188 4.350 0.004 0.000 0.267 301 T C 2.005 176.711 174.700 0.011 0.000 1.036 301 T CA 1.740 63.848 62.100 0.014 0.000 1.148 301 T CB -0.314 68.566 68.868 0.019 0.000 0.863 301 T HN 0.207 nan 8.240 nan 0.000 0.436 302 A N 1.424 124.207 122.820 -0.062 0.000 1.877 302 A HA -0.107 4.216 4.320 0.004 0.000 0.216 302 A C 2.304 179.837 177.584 -0.085 0.000 1.186 302 A CA 1.805 53.796 52.037 -0.077 0.000 0.620 302 A CB -0.605 18.332 19.000 -0.106 0.000 0.822 302 A HN 0.408 nan 8.150 nan 0.000 0.443 303 R N -1.232 119.165 120.500 -0.172 0.000 2.096 303 R HA -0.166 4.176 4.340 0.004 0.000 0.235 303 R C 1.955 178.151 176.300 -0.174 0.000 1.127 303 R CA 1.818 57.772 56.100 -0.243 0.000 0.968 303 R CB -0.364 29.777 30.300 -0.264 0.000 0.861 303 R HN 0.808 nan 8.270 nan 0.000 0.440 304 H N -2.130 116.912 119.070 -0.048 0.000 2.428 304 H HA -0.126 4.432 4.556 0.004 0.000 0.296 304 H C 1.598 176.915 175.328 -0.018 0.000 1.062 304 H CA 1.273 57.295 56.048 -0.042 0.000 1.350 304 H CB -0.016 29.731 29.762 -0.024 0.000 1.403 304 H HN 0.258 nan 8.280 nan 0.000 0.533 305 Y N 1.279 121.586 120.300 0.011 0.000 2.128 305 Y HA -0.260 4.294 4.550 0.007 0.000 0.284 305 Y C 2.184 178.022 175.900 -0.104 0.000 1.154 305 Y CA 1.478 59.558 58.100 -0.033 0.000 1.149 305 Y CB -0.171 38.260 38.460 -0.048 0.000 0.976 305 Y HN 0.082 nan 8.280 nan 0.000 0.505 306 I N -0.364 120.249 120.570 0.072 0.000 2.208 306 I HA -0.310 3.863 4.170 0.004 0.000 0.245 306 I C 2.694 178.729 176.117 -0.137 0.000 1.097 306 I CA 1.422 62.657 61.300 -0.108 0.000 1.363 306 I CB -1.050 36.740 38.000 -0.350 0.000 1.051 306 I HN 0.374 nan 8.210 nan 0.000 0.413 307 G N 0.580 109.314 108.800 -0.111 0.000 2.469 307 G HA2 -0.241 3.722 3.960 0.004 0.000 0.219 307 G HA3 -0.241 3.722 3.960 0.004 0.000 0.219 307 G C 1.716 176.569 174.900 -0.079 0.000 1.150 307 G CA 0.971 46.026 45.100 -0.075 0.000 0.763 307 G HN 0.513 nan 8.290 nan 0.000 0.561 308 G N 0.674 109.419 108.800 -0.092 0.000 2.418 308 G HA2 -0.118 3.844 3.960 0.004 0.000 0.217 308 G HA3 -0.118 3.844 3.960 0.004 0.000 0.217 308 G C 1.824 176.669 174.900 -0.091 0.000 1.158 308 G CA 0.744 45.792 45.100 -0.086 0.000 0.771 308 G HN 0.428 nan 8.290 nan 0.000 0.545 309 L N -0.169 120.950 121.223 -0.174 0.000 2.017 309 L HA -0.005 4.337 4.340 0.004 0.000 0.208 309 L C 2.889 179.672 176.870 -0.145 0.000 1.073 309 L CA 0.760 55.446 54.840 -0.256 0.000 0.745 309 L CB -0.360 41.404 42.059 -0.491 0.000 0.894 309 L HN 0.186 nan 8.230 nan 0.000 0.432 310 L N -1.394 119.777 121.223 -0.085 0.000 2.156 310 L HA -0.186 4.157 4.340 0.004 0.000 0.208 310 L C 2.598 179.463 176.870 -0.008 0.000 1.095 310 L CA 0.798 55.640 54.840 0.003 0.000 0.770 310 L CB -0.647 41.434 42.059 0.036 0.000 0.914 310 L HN 0.323 nan 8.230 nan 0.000 0.439 311 H N -0.672 118.300 119.070 -0.163 0.000 2.363 311 H HA -0.124 4.434 4.556 0.004 0.000 0.301 311 H C 2.113 177.249 175.328 -0.321 0.000 1.074 311 H CA 1.609 57.499 56.048 -0.263 0.000 1.354 311 H CB 0.143 29.668 29.762 -0.394 0.000 1.397 311 H HN 0.232 nan 8.280 nan 0.000 0.516 312 H N -0.347 118.541 119.070 -0.305 0.000 2.548 312 H HA 0.257 4.815 4.556 0.004 0.000 0.265 312 H C 2.179 177.407 175.328 -0.166 0.000 0.969 312 H CA 0.636 56.427 56.048 -0.428 0.000 1.155 312 H CB -0.158 29.174 29.762 -0.718 0.000 1.394 312 H HN 0.547 nan 8.280 nan 0.000 0.570 313 A N 2.237 125.078 122.820 0.036 0.000 1.915 313 A HA -0.184 4.138 4.320 0.004 0.000 0.220 313 A C -0.115 177.563 177.584 0.157 0.000 1.198 313 A CA 1.748 53.879 52.037 0.156 0.000 0.647 313 A CB -1.446 17.662 19.000 0.179 0.000 0.825 313 A HN 0.303 nan 8.150 nan 0.000 0.456 314 P HA -0.155 nan 4.420 nan 0.000 0.218 314 P C 1.694 179.068 177.300 0.124 0.000 1.146 314 P CA 2.073 65.227 63.100 0.089 0.000 0.813 314 P CB -0.073 31.643 31.700 0.027 0.000 0.778 315 S N -2.240 113.554 115.700 0.157 0.000 2.545 315 S HA 0.046 4.518 4.470 0.004 0.000 0.232 315 S C 1.728 176.488 174.600 0.267 0.000 1.070 315 S CA -0.067 58.258 58.200 0.208 0.000 0.923 315 S CB -1.353 62.007 63.200 0.266 0.000 0.806 315 S HN -0.024 nan 8.310 nan 0.000 0.506 316 L N 2.390 123.807 121.223 0.323 0.000 2.081 316 L HA 0.091 4.433 4.340 0.004 0.000 0.212 316 L C 2.090 179.174 176.870 0.357 0.000 1.080 316 L CA 1.688 56.754 54.840 0.377 0.000 0.754 316 L CB -0.835 41.433 42.059 0.349 0.000 0.893 316 L HN 0.396 nan 8.230 nan 0.000 0.433 317 L N -0.580 120.834 121.223 0.319 0.000 2.353 317 L HA -0.169 4.174 4.340 0.004 0.000 0.220 317 L C 2.567 179.617 176.870 0.299 0.000 1.133 317 L CA 0.873 55.903 54.840 0.317 0.000 0.798 317 L CB -1.138 41.119 42.059 0.329 0.000 0.922 317 L HN 0.438 nan 8.230 nan 0.000 0.445 318 A N -0.222 122.729 122.820 0.219 0.000 2.019 318 A HA -0.166 4.157 4.320 0.004 0.000 0.219 318 A C 1.874 179.505 177.584 0.078 0.000 1.164 318 A CA 1.493 53.604 52.037 0.122 0.000 0.644 318 A CB -0.451 18.524 19.000 -0.041 0.000 0.805 318 A HN 0.411 nan 8.150 nan 0.000 0.449 319 F N -1.028 119.067 119.950 0.242 0.000 2.694 319 F HA 0.040 4.570 4.527 0.005 0.000 0.292 319 F C 2.539 178.464 175.800 0.209 0.000 1.121 319 F CA 1.010 59.089 58.000 0.132 0.000 1.352 319 F CB 0.331 39.275 39.000 -0.093 0.000 1.107 319 F HN 0.284 nan 8.300 nan 0.000 0.597 320 T N -3.519 111.267 114.554 0.386 0.000 3.040 320 T HA 0.137 4.489 4.350 0.004 0.000 0.252 320 T C 0.474 175.301 174.700 0.211 0.000 1.064 320 T CA 0.334 62.622 62.100 0.314 0.000 1.110 320 T CB -0.266 68.806 68.868 0.339 0.000 0.921 320 T HN -0.040 nan 8.240 nan 0.000 0.480 321 N N 2.378 121.197 118.700 0.198 0.000 2.765 321 N HA 0.343 5.085 4.740 0.004 0.000 0.277 321 N C -2.597 173.019 175.510 0.178 0.000 1.750 321 N CA -1.334 51.760 53.050 0.074 0.000 0.827 321 N CB 1.951 40.362 38.487 -0.127 0.000 1.200 321 N HN 0.247 nan 8.380 nan 0.000 0.494 322 P HA 0.043 nan 4.420 nan 0.000 0.262 322 P C -0.285 177.133 177.300 0.196 0.000 1.304 322 P CA 0.391 63.671 63.100 0.301 0.000 0.859 322 P CB 0.201 32.179 31.700 0.464 0.000 1.310 323 T N -4.648 110.014 114.554 0.181 0.000 2.930 323 T HA 0.372 4.724 4.350 0.004 0.000 0.290 323 T C 1.171 175.992 174.700 0.201 0.000 1.052 323 T CA -0.668 61.510 62.100 0.131 0.000 1.017 323 T CB 1.316 70.230 68.868 0.077 0.000 1.137 323 T HN -0.295 nan 8.240 nan 0.000 0.511 324 V N 1.537 121.526 119.914 0.125 0.000 2.343 324 V HA -0.162 3.960 4.120 0.004 0.000 0.247 324 V C 2.867 179.057 176.094 0.160 0.000 1.051 324 V CA 2.121 64.507 62.300 0.144 0.000 1.036 324 V CB -1.008 30.841 31.823 0.044 0.000 0.654 324 V HN 1.008 nan 8.190 nan 0.000 0.451 325 N N 0.061 118.801 118.700 0.067 0.000 2.272 325 N HA -0.172 4.571 4.740 0.004 0.000 0.185 325 N C 1.919 177.439 175.510 0.018 0.000 1.014 325 N CA 1.455 54.520 53.050 0.025 0.000 0.870 325 N CB 0.032 38.505 38.487 -0.023 0.000 0.975 325 N HN 0.452 nan 8.380 nan 0.000 0.433 326 S N -0.130 115.563 115.700 -0.011 0.000 2.392 326 S HA -0.162 4.311 4.470 0.004 0.000 0.232 326 S C 1.172 175.555 174.600 -0.362 0.000 1.041 326 S CA 1.216 59.285 58.200 -0.218 0.000 1.026 326 S CB -0.339 62.629 63.200 -0.386 0.000 0.845 326 S HN 0.503 nan 8.310 nan 0.000 0.465 327 Y N 0.590 120.918 120.300 0.047 0.000 2.511 327 Y HA 0.213 4.765 4.550 0.004 0.000 0.279 327 Y C 1.985 177.912 175.900 0.044 0.000 1.157 327 Y CA 0.231 58.361 58.100 0.050 0.000 1.300 327 Y CB 0.023 38.510 38.460 0.045 0.000 1.052 327 Y HN 0.016 nan 8.280 nan 0.000 0.529 328 K N 0.239 120.699 120.400 0.100 0.000 2.296 328 K HA -0.025 4.298 4.320 0.004 0.000 0.200 328 K C 2.080 178.701 176.600 0.035 0.000 1.048 328 K CA 0.494 56.821 56.287 0.066 0.000 0.966 328 K CB 0.042 32.564 32.500 0.036 0.000 0.754 328 K HN 0.159 nan 8.250 nan 0.000 0.466 329 R N 0.303 120.807 120.500 0.008 0.000 2.127 329 R HA 0.091 4.433 4.340 0.004 0.000 0.217 329 R C 0.215 176.543 176.300 0.046 0.000 1.074 329 R CA 0.525 56.628 56.100 0.005 0.000 0.991 329 R CB 0.097 30.396 30.300 -0.003 0.000 0.895 329 R HN 0.080 nan 8.270 nan 0.000 0.450 330 L N 3.561 124.810 121.223 0.043 0.000 2.511 330 L HA 0.170 4.512 4.340 0.004 0.000 0.239 330 L C -0.479 176.468 176.870 0.128 0.000 1.400 330 L CA -0.507 54.387 54.840 0.090 0.000 1.226 330 L CB 0.201 42.311 42.059 0.084 0.000 1.475 330 L HN 0.060 nan 8.230 nan 0.000 0.428 331 V N -1.642 118.349 119.914 0.129 0.000 2.962 331 V HA 0.711 4.833 4.120 0.004 0.000 0.313 331 V C -2.561 173.574 176.094 0.069 0.000 1.099 331 V CA -2.310 60.067 62.300 0.128 0.000 0.971 331 V CB 1.887 33.801 31.823 0.153 0.000 1.028 331 V HN 0.060 nan 8.190 nan 0.000 0.430 332 P HA 0.465 nan 4.420 nan 0.000 0.275 332 P C 0.688 177.552 177.300 -0.727 0.000 1.228 332 P CA 1.178 64.014 63.100 -0.440 0.000 0.786 332 P CB 1.253 32.842 31.700 -0.184 0.000 0.927 333 G N 1.290 109.213 108.800 -1.462 0.000 2.168 333 G HA2 -0.213 3.750 3.960 0.004 0.000 0.197 333 G HA3 -0.213 3.750 3.960 0.004 0.000 0.197 333 G C -0.153 174.113 174.900 -1.058 0.000 0.997 333 G CA -0.348 44.052 45.100 -1.166 0.000 0.658 333 G HN 0.486 nan 8.290 nan 0.000 0.513 334 Y N 0.249 120.355 120.300 -0.322 0.000 2.721 334 Y HA 0.453 5.005 4.550 0.004 0.000 0.251 334 Y C 1.028 176.944 175.900 0.028 0.000 1.136 334 Y CA -0.240 57.808 58.100 -0.086 0.000 1.142 334 Y CB 0.191 38.619 38.460 -0.053 0.000 1.212 334 Y HN 0.388 nan 8.280 nan 0.000 0.565 335 E N -0.564 119.757 120.200 0.201 0.000 2.971 335 E HA -0.213 4.139 4.350 0.004 0.000 0.278 335 E C 0.122 176.873 176.600 0.251 0.000 1.009 335 E CA 0.516 57.063 56.400 0.245 0.000 0.862 335 E CB -1.246 28.537 29.700 0.138 0.000 1.436 335 E HN 0.402 nan 8.360 nan 0.000 0.434 336 A N 0.441 123.430 122.820 0.282 0.000 2.356 336 A HA 0.690 5.013 4.320 0.004 0.000 0.323 336 A C -2.573 175.171 177.584 0.267 0.000 1.119 336 A CA -1.596 50.578 52.037 0.229 0.000 0.790 336 A CB 1.019 20.128 19.000 0.180 0.000 1.273 336 A HN -0.142 nan 8.150 nan 0.000 0.452 337 P HA 0.274 nan 4.420 nan 0.000 0.268 337 P C 0.235 177.660 177.300 0.208 0.000 1.205 337 P CA 0.122 63.327 63.100 0.175 0.000 0.771 337 P CB 0.342 32.110 31.700 0.114 0.000 0.858 338 I N -1.221 119.483 120.570 0.225 0.000 4.240 338 I HA 0.376 4.548 4.170 0.004 0.000 0.331 338 I C -0.217 175.989 176.117 0.150 0.000 1.381 338 I CA -0.256 61.165 61.300 0.201 0.000 1.136 338 I CB -0.007 38.144 38.000 0.251 0.000 1.137 338 I HN 0.188 nan 8.210 nan 0.000 0.411 339 N N 0.775 119.551 118.700 0.127 0.000 3.020 339 N HA 0.397 5.140 4.740 0.004 0.000 0.248 339 N C -1.157 174.418 175.510 0.109 0.000 1.480 339 N CA -0.931 52.181 53.050 0.104 0.000 0.874 339 N CB 0.822 39.354 38.487 0.076 0.000 1.433 339 N HN 0.077 nan 8.380 nan 0.000 0.530 340 L N 0.567 121.852 121.223 0.104 0.000 2.512 340 L HA 0.494 4.837 4.340 0.004 0.000 0.247 340 L C -0.038 176.900 176.870 0.114 0.000 1.204 340 L CA -0.818 54.096 54.840 0.123 0.000 1.153 340 L CB -0.248 41.878 42.059 0.111 0.000 1.415 340 L HN 0.526 nan 8.230 nan 0.000 0.406 341 V N -0.522 119.460 119.914 0.113 0.000 2.864 341 V HA 0.612 4.734 4.120 0.004 0.000 0.314 341 V C -0.809 175.391 176.094 0.177 0.000 1.073 341 V CA -0.719 61.647 62.300 0.110 0.000 0.956 341 V CB 1.922 33.755 31.823 0.016 0.000 1.023 341 V HN 0.433 nan 8.190 nan 0.000 0.435 342 Y N 2.303 122.614 120.300 0.018 0.000 2.420 342 Y HA 0.890 5.442 4.550 0.004 0.000 0.334 342 Y C -0.134 175.790 175.900 0.039 0.000 1.094 342 Y CA -0.241 57.882 58.100 0.039 0.000 1.126 342 Y CB 1.966 40.457 38.460 0.053 0.000 1.217 342 Y HN 1.027 nan 8.280 nan 0.000 0.462 343 S N 2.772 118.470 115.700 -0.004 0.000 2.560 343 S HA 0.214 4.686 4.470 0.004 0.000 0.283 343 S C -1.563 173.081 174.600 0.073 0.000 1.141 343 S CA -0.991 57.188 58.200 -0.036 0.000 0.902 343 S CB 1.098 64.256 63.200 -0.071 0.000 1.104 343 S HN 1.023 nan 8.310 nan 0.000 0.454 344 Q N 3.330 123.196 119.800 0.110 0.000 2.340 344 Q HA 0.532 4.874 4.340 0.004 0.000 0.249 344 Q C 0.550 176.545 176.000 -0.008 0.000 0.957 344 Q CA -0.386 55.422 55.803 0.009 0.000 0.882 344 Q CB 0.437 29.095 28.738 -0.133 0.000 1.235 344 Q HN 0.845 nan 8.270 nan 0.000 0.439 345 R N 0.322 120.811 120.500 -0.017 0.000 4.016 345 R HA -0.216 4.127 4.340 0.004 0.000 0.385 345 R C -0.860 175.422 176.300 -0.030 0.000 1.158 345 R CA 1.065 57.153 56.100 -0.020 0.000 1.117 345 R CB -1.018 29.267 30.300 -0.025 0.000 1.635 345 R HN 0.883 nan 8.270 nan 0.000 0.560 346 N N 0.657 119.337 118.700 -0.033 0.000 2.527 346 N HA 0.167 4.910 4.740 0.004 0.000 0.236 346 N C 0.337 175.806 175.510 -0.068 0.000 0.999 346 N CA -0.230 52.787 53.050 -0.056 0.000 0.935 346 N CB 0.747 39.197 38.487 -0.060 0.000 1.132 346 N HN 0.204 nan 8.380 nan 0.000 0.511 347 R N 0.548 121.005 120.500 -0.071 0.000 2.313 347 R HA 0.014 4.356 4.340 0.004 0.000 0.199 347 R C 1.266 177.536 176.300 -0.050 0.000 0.958 347 R CA 0.521 56.583 56.100 -0.062 0.000 1.047 347 R CB 0.221 30.494 30.300 -0.044 0.000 0.955 347 R HN 0.520 nan 8.270 nan 0.000 0.481 348 S N -1.050 114.563 115.700 -0.145 0.000 2.556 348 S HA 0.251 4.723 4.470 0.004 0.000 0.216 348 S C 0.703 175.171 174.600 -0.220 0.000 0.970 348 S CA -0.375 57.626 58.200 -0.332 0.000 0.912 348 S CB 0.566 63.273 63.200 -0.820 0.000 0.790 348 S HN 0.191 nan 8.310 nan 0.000 0.504 349 A N 0.097 122.854 122.820 -0.105 0.000 2.269 349 A HA 0.624 4.947 4.320 0.004 0.000 0.319 349 A C 1.347 178.949 177.584 0.031 0.000 1.110 349 A CA -0.397 51.618 52.037 -0.036 0.000 0.847 349 A CB 0.511 19.499 19.000 -0.020 0.000 1.161 349 A HN 0.399 nan 8.150 nan 0.000 0.497 350 C N -0.066 119.290 119.300 0.093 0.000 2.486 350 C HA 0.263 4.725 4.460 0.004 0.000 0.279 350 C C 0.647 175.780 174.990 0.237 0.000 1.302 350 C CA 0.856 59.973 59.018 0.165 0.000 1.720 350 C CB -0.692 27.183 27.740 0.225 0.000 2.030 350 C HN 0.506 nan 8.230 nan 0.000 0.490 351 V N 2.505 122.557 119.914 0.230 0.000 2.407 351 V HA 0.394 4.516 4.120 0.004 0.000 0.291 351 V C -0.179 176.004 176.094 0.149 0.000 1.018 351 V CA -0.419 62.015 62.300 0.223 0.000 0.842 351 V CB 1.224 33.188 31.823 0.235 0.000 0.996 351 V HN 0.418 nan 8.190 nan 0.000 0.426 352 R N 5.500 126.032 120.500 0.053 0.000 2.407 352 R HA 0.584 4.927 4.340 0.004 0.000 0.303 352 R C -1.086 175.229 176.300 0.024 0.000 0.981 352 R CA -0.711 55.401 56.100 0.020 0.000 0.905 352 R CB 1.152 31.420 30.300 -0.053 0.000 1.099 352 R HN 0.547 nan 8.270 nan 0.000 0.459 353 I N 6.459 127.061 120.570 0.054 0.000 2.307 353 I HA 0.300 4.472 4.170 0.004 0.000 0.289 353 I C -2.046 174.076 176.117 0.009 0.000 1.021 353 I CA -3.046 58.275 61.300 0.036 0.000 1.224 353 I CB 0.824 38.858 38.000 0.056 0.000 1.376 353 I HN 0.547 nan 8.210 nan 0.000 0.470 354 P HA 0.122 nan 4.420 nan 0.000 0.269 354 P C -0.311 177.005 177.300 0.027 0.000 1.209 354 P CA -0.291 62.835 63.100 0.044 0.000 0.776 354 P CB 1.025 32.792 31.700 0.113 0.000 0.876 355 I N 3.349 123.931 120.570 0.021 0.000 2.347 355 I HA 0.051 4.223 4.170 0.004 0.000 0.294 355 I C 1.592 177.721 176.117 0.020 0.000 1.090 355 I CA 0.522 61.827 61.300 0.008 0.000 1.314 355 I CB -0.587 37.414 38.000 0.001 0.000 1.423 355 I HN 0.453 nan 8.210 nan 0.000 0.503 356 T N 1.225 115.790 114.554 0.020 0.000 3.003 356 T HA 0.476 4.829 4.350 0.004 0.000 0.261 356 T C 0.913 175.618 174.700 0.008 0.000 1.003 356 T CA 0.178 62.289 62.100 0.018 0.000 0.917 356 T CB 0.639 69.520 68.868 0.021 0.000 1.084 356 T HN 0.871 nan 8.240 nan 0.000 0.522 357 G N 2.019 110.828 108.800 0.015 0.000 2.527 357 G HA2 -0.238 3.725 3.960 0.004 0.000 0.227 357 G HA3 -0.238 3.725 3.960 0.004 0.000 0.227 357 G C 0.805 175.721 174.900 0.026 0.000 1.291 357 G CA 0.433 45.541 45.100 0.013 0.000 0.904 357 G HN 1.109 nan 8.290 nan 0.000 0.577 358 S N -0.285 115.408 115.700 -0.011 0.000 2.535 358 S HA 0.206 4.678 4.470 0.004 0.000 0.214 358 S C 0.799 175.225 174.600 -0.290 0.000 0.980 358 S CA 0.967 59.143 58.200 -0.039 0.000 0.907 358 S CB 0.130 63.337 63.200 0.011 0.000 0.790 358 S HN 1.035 nan 8.310 nan 0.000 0.510 359 N N 3.837 122.399 118.700 -0.229 0.000 2.427 359 N HA 0.197 4.939 4.740 0.004 0.000 0.269 359 N C -1.928 173.312 175.510 -0.450 0.000 1.235 359 N CA -1.774 51.113 53.050 -0.272 0.000 0.934 359 N CB 1.071 39.482 38.487 -0.127 0.000 1.121 359 N HN 0.046 nan 8.380 nan 0.000 0.480 360 P HA -0.084 nan 4.420 nan 0.000 0.220 360 P C 0.688 177.809 177.300 -0.297 0.000 1.148 360 P CA 1.283 63.948 63.100 -0.725 0.000 0.803 360 P CB 0.319 31.688 31.700 -0.552 0.000 0.782 361 K N -0.274 120.026 120.400 -0.166 0.000 2.148 361 K HA 0.001 4.324 4.320 0.004 0.000 0.204 361 K C 1.972 178.643 176.600 0.117 0.000 1.050 361 K CA 1.368 57.692 56.287 0.062 0.000 0.942 361 K CB -0.452 32.172 32.500 0.208 0.000 0.724 361 K HN 0.063 nan 8.250 nan 0.000 0.446 362 A N 1.355 124.178 122.820 0.004 0.000 2.208 362 A HA -0.017 4.305 4.320 0.004 0.000 0.209 362 A C 0.722 178.307 177.584 0.003 0.000 1.161 362 A CA 0.205 52.242 52.037 -0.000 0.000 0.782 362 A CB -0.032 18.961 19.000 -0.012 0.000 0.816 362 A HN 0.003 nan 8.150 nan 0.000 0.477 363 K N 1.563 121.970 120.400 0.011 0.000 2.412 363 K HA 0.280 4.602 4.320 0.004 0.000 0.281 363 K C 0.301 176.909 176.600 0.013 0.000 1.027 363 K CA 0.217 56.532 56.287 0.046 0.000 0.989 363 K CB 0.120 32.700 32.500 0.134 0.000 0.935 363 K HN 0.649 nan 8.250 nan 0.000 0.475 364 R N 2.473 122.974 120.500 0.001 0.000 2.728 364 R HA 0.391 4.734 4.340 0.004 0.000 0.274 364 R C -1.559 174.715 176.300 -0.043 0.000 1.032 364 R CA -1.141 54.935 56.100 -0.040 0.000 0.866 364 R CB 0.092 30.373 30.300 -0.030 0.000 1.263 364 R HN 0.351 nan 8.270 nan 0.000 0.475 365 L N -1.617 119.548 121.223 -0.097 0.000 2.331 365 L HA 0.642 4.984 4.340 0.004 0.000 0.275 365 L C -0.317 176.472 176.870 -0.136 0.000 1.022 365 L CA -0.491 54.300 54.840 -0.082 0.000 0.812 365 L CB 1.724 43.733 42.059 -0.083 0.000 1.257 365 L HN 0.770 nan 8.230 nan 0.000 0.435 366 E N 2.247 122.348 120.200 -0.166 0.000 2.073 366 E HA 0.238 4.590 4.350 0.004 0.000 0.269 366 E C -1.649 174.944 176.600 -0.011 0.000 0.917 366 E CA -0.755 55.460 56.400 -0.309 0.000 0.757 366 E CB 0.856 30.225 29.700 -0.552 0.000 1.111 366 E HN 0.622 nan 8.360 nan 0.000 0.410 367 F N 5.040 124.936 119.950 -0.089 0.000 2.434 367 F HA 0.255 4.784 4.527 0.003 0.000 0.358 367 F C 0.737 176.574 175.800 0.062 0.000 1.136 367 F CA -0.601 57.414 58.000 0.026 0.000 1.157 367 F CB 0.399 39.461 39.000 0.102 0.000 1.167 367 F HN 0.539 nan 8.300 nan 0.000 0.539 368 R N 2.004 122.457 120.500 -0.078 0.000 2.297 368 R HA -0.030 4.313 4.340 0.004 0.000 0.197 368 R C 2.281 178.510 176.300 -0.119 0.000 0.943 368 R CA 0.703 56.726 56.100 -0.129 0.000 1.038 368 R CB 0.104 30.270 30.300 -0.223 0.000 0.957 368 R HN 0.617 nan 8.270 nan 0.000 0.484 369 S N 1.178 116.594 115.700 -0.473 0.000 2.368 369 S HA 0.019 4.491 4.470 0.004 0.000 0.224 369 S C -1.611 172.834 174.600 -0.259 0.000 1.029 369 S CA 0.333 58.302 58.200 -0.384 0.000 0.988 369 S CB -0.520 62.396 63.200 -0.474 0.000 0.838 369 S HN 0.069 nan 8.310 nan 0.000 0.462 370 P HA 0.223 nan 4.420 nan 0.000 0.270 370 P C -0.858 176.466 177.300 0.040 0.000 1.223 370 P CA -0.013 63.059 63.100 -0.046 0.000 0.785 370 P CB 0.446 32.191 31.700 0.073 0.000 0.923 371 D N -1.777 118.668 120.400 0.075 0.000 2.585 371 D HA 0.316 4.959 4.640 0.004 0.000 0.254 371 D C -0.198 176.184 176.300 0.135 0.000 1.067 371 D CA -0.722 53.335 54.000 0.095 0.000 1.090 371 D CB 0.177 41.014 40.800 0.062 0.000 1.408 371 D HN -0.007 nan 8.370 nan 0.000 0.554 372 S N -1.127 114.670 115.700 0.162 0.000 2.660 372 S HA 0.062 4.535 4.470 0.004 0.000 0.227 372 S C 1.097 175.772 174.600 0.124 0.000 0.948 372 S CA 0.040 58.332 58.200 0.154 0.000 0.948 372 S CB -0.479 62.867 63.200 0.243 0.000 0.779 372 S HN 0.531 nan 8.310 nan 0.000 0.487 373 S N 0.488 116.266 115.700 0.129 0.000 2.631 373 S HA 0.383 4.856 4.470 0.004 0.000 0.217 373 S C 0.955 175.632 174.600 0.128 0.000 0.958 373 S CA 0.074 58.345 58.200 0.119 0.000 0.920 373 S CB 0.310 63.571 63.200 0.102 0.000 0.776 373 S HN 0.475 nan 8.310 nan 0.000 0.517 374 G N 1.140 110.027 108.800 0.146 0.000 3.382 374 G HA2 0.377 4.339 3.960 0.004 0.000 0.183 374 G HA3 0.377 4.339 3.960 0.004 0.000 0.183 374 G C -1.273 173.725 174.900 0.163 0.000 1.246 374 G CA -0.537 44.691 45.100 0.213 0.000 0.828 374 G HN 0.299 nan 8.290 nan 0.000 0.728 375 N N 1.258 120.076 118.700 0.198 0.000 2.483 375 N HA 0.364 5.106 4.740 0.004 0.000 0.267 375 N C -1.834 173.636 175.510 -0.066 0.000 0.998 375 N CA -1.855 51.262 53.050 0.111 0.000 0.918 375 N CB 2.903 41.521 38.487 0.219 0.000 1.215 375 N HN -0.010 nan 8.380 nan 0.000 0.500 376 P HA -0.073 nan 4.420 nan 0.000 0.219 376 P C 0.835 177.608 177.300 -0.879 0.000 1.150 376 P CA 1.026 63.658 63.100 -0.780 0.000 0.814 376 P CB 0.250 31.373 31.700 -0.962 0.000 0.787 377 Y N 0.376 120.445 120.300 -0.385 0.000 2.145 377 Y HA -0.136 4.416 4.550 0.004 0.000 0.286 377 Y C 2.729 178.491 175.900 -0.230 0.000 1.145 377 Y CA 1.135 59.070 58.100 -0.275 0.000 1.148 377 Y CB -1.558 36.798 38.460 -0.174 0.000 0.981 377 Y HN -0.196 nan 8.280 nan 0.000 0.507 378 L N -1.000 120.203 121.223 -0.034 0.000 2.072 378 L HA -0.130 4.212 4.340 0.004 0.000 0.205 378 L C 2.683 179.548 176.870 -0.008 0.000 1.079 378 L CA 0.917 55.688 54.840 -0.115 0.000 0.752 378 L CB -0.925 41.021 42.059 -0.188 0.000 0.906 378 L HN 0.226 nan 8.230 nan 0.000 0.436 379 A N 0.378 123.228 122.820 0.050 0.000 1.858 379 A HA -0.195 4.128 4.320 0.004 0.000 0.216 379 A C 2.071 179.870 177.584 0.358 0.000 1.190 379 A CA 1.423 53.593 52.037 0.221 0.000 0.617 379 A CB -0.696 18.441 19.000 0.229 0.000 0.827 379 A HN 0.260 nan 8.150 nan 0.000 0.443 380 F N 0.990 120.931 119.950 -0.015 0.000 2.134 380 F HA -0.115 4.415 4.527 0.005 0.000 0.299 380 F C 2.876 178.611 175.800 -0.108 0.000 1.097 380 F CA 0.971 58.822 58.000 -0.248 0.000 1.264 380 F CB -1.386 37.137 39.000 -0.795 0.000 1.001 380 F HN 0.167 nan 8.300 nan 0.000 0.479 381 S N 0.276 116.057 115.700 0.135 0.000 2.359 381 S HA -0.172 4.300 4.470 0.004 0.000 0.224 381 S C 2.395 177.150 174.600 0.260 0.000 1.035 381 S CA 1.207 59.496 58.200 0.149 0.000 1.018 381 S CB -0.747 62.457 63.200 0.006 0.000 0.876 381 S HN 0.353 nan 8.310 nan 0.000 0.448 382 A N 1.502 124.461 122.820 0.233 0.000 1.902 382 A HA -0.094 4.228 4.320 0.004 0.000 0.217 382 A C 2.162 179.871 177.584 0.208 0.000 1.181 382 A CA 1.595 53.673 52.037 0.068 0.000 0.623 382 A CB -0.670 18.276 19.000 -0.089 0.000 0.818 382 A HN 0.479 nan 8.150 nan 0.000 0.443 383 M N -1.329 118.467 119.600 0.326 0.000 2.108 383 M HA -0.162 4.321 4.480 0.004 0.000 0.261 383 M C 2.205 178.665 176.300 0.267 0.000 1.066 383 M CA 1.647 57.156 55.300 0.348 0.000 1.107 383 M CB -0.450 32.489 32.600 0.565 0.000 1.356 383 M HN 0.478 nan 8.290 nan 0.000 0.406 384 L N 0.423 121.882 121.223 0.392 0.000 2.017 384 L HA -0.180 4.162 4.340 0.004 0.000 0.208 384 L C 2.303 179.266 176.870 0.156 0.000 1.073 384 L CA 1.845 56.897 54.840 0.353 0.000 0.745 384 L CB -0.490 41.834 42.059 0.442 0.000 0.894 384 L HN 0.247 nan 8.230 nan 0.000 0.432 385 M N -0.515 119.186 119.600 0.168 0.000 2.149 385 M HA -0.137 4.345 4.480 0.004 0.000 0.261 385 M C 2.401 178.789 176.300 0.147 0.000 1.064 385 M CA 1.753 57.133 55.300 0.133 0.000 1.102 385 M CB -1.860 30.766 32.600 0.042 0.000 1.369 385 M HN 0.453 nan 8.290 nan 0.000 0.408 386 A N 0.160 123.057 122.820 0.128 0.000 1.898 386 A HA 0.052 4.374 4.320 0.004 0.000 0.216 386 A C 2.473 179.967 177.584 -0.150 0.000 1.181 386 A CA 1.838 53.876 52.037 0.001 0.000 0.620 386 A CB -1.383 17.612 19.000 -0.008 0.000 0.819 386 A HN 0.495 nan 8.150 nan 0.000 0.442 387 G N -0.224 108.291 108.800 -0.476 0.000 2.418 387 G HA2 -0.138 3.824 3.960 0.004 0.000 0.217 387 G HA3 -0.138 3.824 3.960 0.004 0.000 0.217 387 G C 1.548 176.143 174.900 -0.508 0.000 1.158 387 G CA 0.993 45.422 45.100 -1.118 0.000 0.771 387 G HN 0.415 nan 8.290 nan 0.000 0.545 388 L N 0.182 121.284 121.223 -0.201 0.000 2.093 388 L HA -0.034 4.308 4.340 0.004 0.000 0.208 388 L C 2.508 179.412 176.870 0.056 0.000 1.085 388 L CA 1.375 56.233 54.840 0.029 0.000 0.755 388 L CB -0.368 41.795 42.059 0.173 0.000 0.904 388 L HN 0.198 nan 8.230 nan 0.000 0.435 389 D N 0.061 120.503 120.400 0.070 0.000 2.144 389 D HA -0.150 4.492 4.640 0.004 0.000 0.199 389 D C 2.117 178.439 176.300 0.037 0.000 0.984 389 D CA 1.334 55.395 54.000 0.102 0.000 0.834 389 D CB 0.028 40.942 40.800 0.189 0.000 0.955 389 D HN 0.224 nan 8.370 nan 0.000 0.465 390 G N 0.148 108.941 108.800 -0.011 0.000 2.402 390 G HA2 -0.190 3.773 3.960 0.004 0.000 0.216 390 G HA3 -0.190 3.773 3.960 0.004 0.000 0.216 390 G C 1.744 176.615 174.900 -0.049 0.000 1.162 390 G CA 0.661 45.727 45.100 -0.057 0.000 0.777 390 G HN 0.339 nan 8.290 nan 0.000 0.539 391 I N 0.235 120.812 120.570 0.011 0.000 2.202 391 I HA -0.113 4.060 4.170 0.004 0.000 0.242 391 I C 2.695 178.791 176.117 -0.034 0.000 1.091 391 I CA 1.366 62.695 61.300 0.048 0.000 1.368 391 I CB -0.164 37.901 38.000 0.109 0.000 1.058 391 I HN 0.103 nan 8.210 nan 0.000 0.410 392 K N 0.803 121.196 120.400 -0.012 0.000 2.057 392 K HA -0.133 4.190 4.320 0.004 0.000 0.207 392 K C 1.418 177.981 176.600 -0.062 0.000 1.049 392 K CA 1.387 57.665 56.287 -0.016 0.000 0.931 392 K CB 0.051 32.569 32.500 0.030 0.000 0.714 392 K HN 0.280 nan 8.250 nan 0.000 0.440 393 N N 1.088 119.735 118.700 -0.088 0.000 2.314 393 N HA 0.006 4.748 4.740 0.004 0.000 0.200 393 N C -0.821 174.551 175.510 -0.230 0.000 1.135 393 N CA 0.239 53.212 53.050 -0.128 0.000 0.835 393 N CB 0.589 39.011 38.487 -0.107 0.000 0.989 393 N HN 0.119 nan 8.380 nan 0.000 0.478 394 K N 0.940 121.124 120.400 -0.360 0.000 3.311 394 K HA -0.176 4.147 4.320 0.004 0.000 0.270 394 K C -0.440 175.830 176.600 -0.550 0.000 0.927 394 K CA 0.419 56.227 56.287 -0.799 0.000 0.706 394 K CB -1.514 30.601 32.500 -0.640 0.000 1.418 394 K HN 0.354 nan 8.250 nan 0.000 0.459 395 I N 1.867 122.241 120.570 -0.326 0.000 2.517 395 I HA -0.016 4.156 4.170 0.004 0.000 0.285 395 I C 0.985 177.086 176.117 -0.026 0.000 1.106 395 I CA 0.069 61.252 61.300 -0.195 0.000 1.402 395 I CB 0.439 38.289 38.000 -0.249 0.000 1.399 395 I HN 0.074 nan 8.210 nan 0.000 0.535 396 E N 8.600 128.793 120.200 -0.011 0.000 2.200 396 E HA 0.301 4.653 4.350 0.004 0.000 0.283 396 E C -2.080 174.527 176.600 0.010 0.000 1.015 396 E CA -1.724 54.710 56.400 0.058 0.000 0.819 396 E CB 0.833 30.561 29.700 0.047 0.000 1.081 396 E HN 0.353 nan 8.360 nan 0.000 0.397 397 P HA 0.030 nan 4.420 nan 0.000 0.274 397 P C -0.285 177.065 177.300 0.083 0.000 1.231 397 P CA -0.339 62.775 63.100 0.022 0.000 0.790 397 P CB 0.656 32.317 31.700 -0.065 0.000 0.951 398 Q N 1.273 121.123 119.800 0.084 0.000 2.421 398 Q HA 0.402 4.744 4.340 0.004 0.000 0.255 398 Q C -0.081 175.962 176.000 0.072 0.000 1.013 398 Q CA -0.812 55.026 55.803 0.059 0.000 0.895 398 Q CB 0.102 28.860 28.738 0.034 0.000 1.271 398 Q HN 0.500 nan 8.270 nan 0.000 0.460 399 A N 3.282 126.094 122.820 -0.013 0.000 2.587 399 A HA 0.175 4.498 4.320 0.004 0.000 0.235 399 A C -1.848 175.588 177.584 -0.248 0.000 1.044 399 A CA -0.898 51.068 52.037 -0.117 0.000 0.754 399 A CB -0.734 18.188 19.000 -0.130 0.000 0.968 399 A HN 0.702 nan 8.150 nan 0.000 0.509 400 P HA 0.180 nan 4.420 nan 0.000 0.266 400 P C -0.753 176.292 177.300 -0.426 0.000 1.195 400 P CA 0.079 62.713 63.100 -0.777 0.000 0.768 400 P CB 0.528 31.390 31.700 -1.396 0.000 0.838 401 V N 3.364 123.104 119.914 -0.290 0.000 2.326 401 V HA 0.135 4.257 4.120 0.004 0.000 0.281 401 V C 0.077 176.087 176.094 -0.139 0.000 1.015 401 V CA -0.267 61.928 62.300 -0.176 0.000 0.823 401 V CB 1.132 32.883 31.823 -0.120 0.000 1.009 401 V HN 0.396 nan 8.190 nan 0.000 0.436 402 D N 4.843 125.178 120.400 -0.109 0.000 3.057 402 D HA 0.326 4.968 4.640 0.004 0.000 0.246 402 D C 0.195 176.457 176.300 -0.063 0.000 1.238 402 D CA 0.203 54.165 54.000 -0.064 0.000 0.949 402 D CB 0.361 41.150 40.800 -0.018 0.000 1.086 402 D HN 0.545 nan 8.370 nan 0.000 0.487 403 K N -0.254 120.097 120.400 -0.081 0.000 2.466 403 K HA 0.240 4.563 4.320 0.004 0.000 0.260 403 K C -0.687 175.843 176.600 -0.116 0.000 1.011 403 K CA -1.012 55.226 56.287 -0.081 0.000 0.871 403 K CB 1.786 34.243 32.500 -0.071 0.000 1.404 403 K HN -0.180 nan 8.250 nan 0.000 0.450 404 D N 2.012 122.343 120.400 -0.115 0.000 2.363 404 D HA 0.022 4.665 4.640 0.004 0.000 0.263 404 D C 0.580 176.757 176.300 -0.205 0.000 1.258 404 D CA 0.201 54.098 54.000 -0.171 0.000 0.907 404 D CB 0.563 41.306 40.800 -0.095 0.000 1.107 404 D HN 0.439 nan 8.370 nan 0.000 0.495 405 L N 3.784 124.793 121.223 -0.356 0.000 2.552 405 L HA -0.100 4.242 4.340 0.004 0.000 0.227 405 L C 1.045 177.812 176.870 -0.172 0.000 1.146 405 L CA 0.275 54.954 54.840 -0.268 0.000 0.858 405 L CB -0.309 41.591 42.059 -0.265 0.000 0.969 405 L HN 0.461 nan 8.230 nan 0.000 0.451 406 Y N -0.781 119.508 120.300 -0.017 0.000 2.523 406 Y HA 0.056 4.608 4.550 0.004 0.000 0.279 406 Y C 1.860 177.747 175.900 -0.023 0.000 1.139 406 Y CA -0.131 57.957 58.100 -0.021 0.000 1.296 406 Y CB -0.049 38.385 38.460 -0.043 0.000 1.045 406 Y HN 0.101 nan 8.280 nan 0.000 0.538 407 E N 0.228 120.471 120.200 0.073 0.000 2.558 407 E HA 0.213 4.565 4.350 0.004 0.000 0.205 407 E C -0.145 176.463 176.600 0.013 0.000 1.006 407 E CA -0.026 56.398 56.400 0.040 0.000 0.961 407 E CB 0.314 30.027 29.700 0.022 0.000 1.044 407 E HN 0.358 nan 8.360 nan 0.000 0.465 408 L N 3.474 124.703 121.223 0.009 0.000 2.456 408 L HA 0.131 4.473 4.340 0.004 0.000 0.272 408 L C -1.707 175.167 176.870 0.006 0.000 1.189 408 L CA -1.425 53.414 54.840 -0.002 0.000 0.846 408 L CB -0.111 41.944 42.059 -0.008 0.000 1.111 408 L HN -0.161 nan 8.230 nan 0.000 0.475 409 P HA 0.041 nan 4.420 nan 0.000 0.266 409 P C -2.211 175.093 177.300 0.007 0.000 1.193 409 P CA -1.125 61.977 63.100 0.003 0.000 0.770 409 P CB -0.000 31.699 31.700 -0.002 0.000 0.836 410 P HA -0.212 nan 4.420 nan 0.000 0.217 410 P C 1.421 178.727 177.300 0.011 0.000 1.158 410 P CA 1.773 64.880 63.100 0.013 0.000 0.887 410 P CB 0.028 31.735 31.700 0.012 0.000 0.792 411 E N -0.954 119.250 120.200 0.006 0.000 2.107 411 E HA -0.174 4.179 4.350 0.004 0.000 0.191 411 E C 2.119 178.720 176.600 0.002 0.000 0.982 411 E CA 0.682 57.085 56.400 0.004 0.000 0.809 411 E CB -0.226 29.475 29.700 0.002 0.000 0.756 411 E HN 0.399 nan 8.360 nan 0.000 0.459 412 E N 0.621 120.820 120.200 -0.001 0.000 2.106 412 E HA -0.146 4.207 4.350 0.004 0.000 0.192 412 E C 1.987 178.587 176.600 -0.001 0.000 0.984 412 E CA 0.778 57.175 56.400 -0.005 0.000 0.806 412 E CB 0.024 29.717 29.700 -0.012 0.000 0.750 412 E HN 0.183 nan 8.360 nan 0.000 0.458 413 A N 1.160 123.984 122.820 0.006 0.000 1.902 413 A HA -0.077 4.245 4.320 0.004 0.000 0.217 413 A C 2.289 179.885 177.584 0.020 0.000 1.181 413 A CA 1.673 53.719 52.037 0.015 0.000 0.623 413 A CB -0.616 18.399 19.000 0.024 0.000 0.818 413 A HN 0.362 nan 8.150 nan 0.000 0.443 414 A N -0.053 122.778 122.820 0.018 0.000 2.235 414 A HA 0.193 4.515 4.320 0.004 0.000 0.208 414 A C 2.022 179.616 177.584 0.016 0.000 1.172 414 A CA 1.363 53.411 52.037 0.020 0.000 0.786 414 A CB -0.630 18.381 19.000 0.018 0.000 0.804 414 A HN 0.916 nan 8.150 nan 0.000 0.479 415 S N -0.820 114.887 115.700 0.011 0.000 2.575 415 S HA 0.355 4.827 4.470 0.004 0.000 0.215 415 S C 0.256 174.862 174.600 0.010 0.000 0.966 415 S CA -0.276 57.928 58.200 0.008 0.000 0.911 415 S CB -0.438 62.763 63.200 0.001 0.000 0.780 415 S HN 0.328 nan 8.310 nan 0.000 0.514 416 I N 2.234 122.813 120.570 0.015 0.000 2.433 416 I HA 0.446 4.618 4.170 0.004 0.000 0.292 416 I C -2.725 173.411 176.117 0.033 0.000 1.001 416 I CA -2.924 58.389 61.300 0.021 0.000 1.119 416 I CB 1.916 39.926 38.000 0.018 0.000 1.289 416 I HN -0.093 nan 8.210 nan 0.000 0.438 417 P HA 0.037 nan 4.420 nan 0.000 0.264 417 P C -0.883 176.453 177.300 0.060 0.000 1.193 417 P CA -0.183 62.944 63.100 0.045 0.000 0.763 417 P CB 0.334 32.060 31.700 0.045 0.000 0.810 418 Q N 1.236 121.074 119.800 0.064 0.000 2.317 418 Q HA 0.216 4.559 4.340 0.004 0.000 0.229 418 Q C 0.472 176.532 176.000 0.100 0.000 0.984 418 Q CA -0.069 55.784 55.803 0.082 0.000 0.911 418 Q CB 0.133 28.917 28.738 0.077 0.000 1.217 418 Q HN 0.476 nan 8.270 nan 0.000 0.501 419 T N -1.015 113.614 114.554 0.125 0.000 2.900 419 T HA 0.320 4.672 4.350 0.004 0.000 0.307 419 T C -2.206 172.589 174.700 0.158 0.000 1.065 419 T CA -1.372 60.822 62.100 0.156 0.000 1.105 419 T CB -0.147 68.828 68.868 0.178 0.000 0.979 419 T HN 0.239 nan 8.240 nan 0.000 0.544 420 P HA 0.165 nan 4.420 nan 0.000 0.267 420 P C 0.846 178.229 177.300 0.138 0.000 1.200 420 P CA -0.248 62.928 63.100 0.126 0.000 0.772 420 P CB 0.279 32.050 31.700 0.119 0.000 0.855 421 T N 0.167 114.738 114.554 0.028 0.000 2.896 421 T HA -0.050 4.303 4.350 0.004 0.000 0.263 421 T C 0.623 175.282 174.700 -0.069 0.000 1.050 421 T CA 1.004 63.124 62.100 0.033 0.000 1.140 421 T CB -0.109 68.765 68.868 0.009 0.000 0.877 421 T HN 0.632 nan 8.240 nan 0.000 0.457 422 Q N -0.709 118.879 119.800 -0.354 0.000 2.482 422 Q HA 0.475 4.817 4.340 0.004 0.000 0.286 422 Q C 0.254 175.751 176.000 -0.839 0.000 1.007 422 Q CA -0.797 54.684 55.803 -0.537 0.000 0.801 422 Q CB 1.130 29.746 28.738 -0.203 0.000 1.455 422 Q HN -0.013 nan 8.270 nan 0.000 0.398 423 L N 2.015 122.811 121.223 -0.712 0.000 2.079 423 L HA -0.194 4.148 4.340 0.004 0.000 0.210 423 L C 2.304 179.050 176.870 -0.206 0.000 1.081 423 L CA 3.037 57.637 54.840 -0.400 0.000 0.752 423 L CB -0.584 41.440 42.059 -0.058 0.000 0.896 423 L HN 0.925 nan 8.230 nan 0.000 0.433 424 S N -1.605 113.997 115.700 -0.163 0.000 2.400 424 S HA -0.204 4.268 4.470 0.004 0.000 0.232 424 S C 1.727 176.277 174.600 -0.083 0.000 1.025 424 S CA 1.240 59.382 58.200 -0.096 0.000 0.993 424 S CB -0.759 62.396 63.200 -0.075 0.000 0.808 424 S HN 0.521 nan 8.310 nan 0.000 0.478 425 D N 1.760 122.089 120.400 -0.118 0.000 2.097 425 D HA -0.077 4.566 4.640 0.004 0.000 0.195 425 D C 2.331 178.606 176.300 -0.042 0.000 0.989 425 D CA 1.700 55.654 54.000 -0.077 0.000 0.827 425 D CB -0.664 40.082 40.800 -0.091 0.000 0.966 425 D HN 0.553 nan 8.370 nan 0.000 0.456 426 V N -0.886 118.993 119.914 -0.058 0.000 2.548 426 V HA -0.119 4.003 4.120 0.004 0.000 0.249 426 V C 2.218 178.338 176.094 0.043 0.000 1.055 426 V CA 0.773 63.090 62.300 0.028 0.000 1.065 426 V CB -0.456 31.427 31.823 0.099 0.000 0.681 426 V HN 0.008 nan 8.190 nan 0.000 0.462 427 I N 1.320 121.899 120.570 0.015 0.000 2.202 427 I HA -0.136 4.036 4.170 0.004 0.000 0.242 427 I C 2.430 178.569 176.117 0.036 0.000 1.091 427 I CA 1.847 63.162 61.300 0.025 0.000 1.368 427 I CB -1.375 36.623 38.000 -0.004 0.000 1.058 427 I HN 0.324 nan 8.210 nan 0.000 0.410 428 D N 0.483 120.895 120.400 0.021 0.000 2.123 428 D HA -0.223 4.420 4.640 0.004 0.000 0.196 428 D C 2.300 178.633 176.300 0.055 0.000 0.992 428 D CA 1.218 55.236 54.000 0.031 0.000 0.833 428 D CB -0.202 40.606 40.800 0.013 0.000 0.954 428 D HN 0.081 nan 8.370 nan 0.000 0.455 429 R N 0.362 120.896 120.500 0.057 0.000 2.092 429 R HA -0.022 4.320 4.340 0.004 0.000 0.231 429 R C 2.088 178.461 176.300 0.122 0.000 1.119 429 R CA 0.528 56.674 56.100 0.077 0.000 0.970 429 R CB -0.831 29.510 30.300 0.068 0.000 0.864 429 R HN 0.186 nan 8.270 nan 0.000 0.440 430 L N 0.923 122.221 121.223 0.125 0.000 2.046 430 L HA -0.090 4.252 4.340 0.004 0.000 0.208 430 L C 2.076 179.089 176.870 0.237 0.000 1.077 430 L CA 2.114 57.050 54.840 0.160 0.000 0.747 430 L CB -0.622 41.485 42.059 0.079 0.000 0.896 430 L HN 0.385 nan 8.230 nan 0.000 0.432 431 E N -0.725 119.579 120.200 0.173 0.000 2.077 431 E HA -0.220 4.132 4.350 0.004 0.000 0.193 431 E C 2.023 178.773 176.600 0.249 0.000 0.989 431 E CA 1.112 57.631 56.400 0.198 0.000 0.800 431 E CB -0.132 29.634 29.700 0.110 0.000 0.746 431 E HN 0.628 nan 8.360 nan 0.000 0.452 432 A N 0.244 123.158 122.820 0.157 0.000 1.970 432 A HA -0.062 4.261 4.320 0.004 0.000 0.216 432 A C 0.647 178.259 177.584 0.046 0.000 1.170 432 A CA 1.160 53.252 52.037 0.091 0.000 0.645 432 A CB 0.212 19.251 19.000 0.065 0.000 0.816 432 A HN 0.287 nan 8.150 nan 0.000 0.447 433 D N -1.238 119.215 120.400 0.090 0.000 2.386 433 D HA 0.265 4.908 4.640 0.004 0.000 0.247 433 D C -0.307 176.075 176.300 0.137 0.000 1.336 433 D CA -0.447 53.579 54.000 0.044 0.000 0.976 433 D CB 0.360 41.219 40.800 0.099 0.000 1.257 433 D HN 0.435 nan 8.370 nan 0.000 0.570 434 H N 2.027 121.142 119.070 0.076 0.000 2.865 434 H HA 0.274 4.832 4.556 0.004 0.000 0.247 434 H C 0.089 175.311 175.328 -0.177 0.000 1.181 434 H CA -0.351 55.652 56.048 -0.075 0.000 0.975 434 H CB 0.374 30.073 29.762 -0.104 0.000 1.899 434 H HN 0.201 nan 8.280 nan 0.000 0.651 435 E N 1.594 121.738 120.200 -0.094 0.000 2.150 435 E HA -0.145 4.208 4.350 0.004 0.000 0.193 435 E C 1.704 178.276 176.600 -0.045 0.000 0.985 435 E CA 1.231 57.595 56.400 -0.060 0.000 0.814 435 E CB -0.396 29.294 29.700 -0.016 0.000 0.752 435 E HN 0.786 nan 8.360 nan 0.000 0.466 436 Y N -0.195 120.025 120.300 -0.134 0.000 2.333 436 Y HA -0.061 4.491 4.550 0.003 0.000 0.290 436 Y C 2.092 177.870 175.900 -0.203 0.000 1.144 436 Y CA 0.713 58.696 58.100 -0.195 0.000 1.228 436 Y CB -0.742 37.453 38.460 -0.440 0.000 0.985 436 Y HN -0.103 nan 8.280 nan 0.000 0.542 437 L N 0.718 121.429 121.223 -0.853 0.000 2.179 437 L HA -0.072 4.270 4.340 0.004 0.000 0.208 437 L C 2.453 179.168 176.870 -0.258 0.000 1.096 437 L CA 1.523 55.930 54.840 -0.721 0.000 0.779 437 L CB -0.676 40.713 42.059 -1.117 0.000 0.922 437 L HN 0.453 nan 8.230 nan 0.000 0.443 438 T N -3.845 110.604 114.554 -0.176 0.000 3.148 438 T HA 0.039 4.391 4.350 0.004 0.000 0.253 438 T C 0.723 175.352 174.700 -0.118 0.000 1.134 438 T CA -0.219 61.839 62.100 -0.070 0.000 1.051 438 T CB -0.248 68.624 68.868 0.007 0.000 0.959 438 T HN 0.071 nan 8.240 nan 0.000 0.525 439 E N 1.651 121.740 120.200 -0.185 0.000 2.465 439 E HA 0.266 4.619 4.350 0.004 0.000 0.260 439 E C 1.445 177.778 176.600 -0.444 0.000 0.980 439 E CA 0.934 57.189 56.400 -0.242 0.000 0.927 439 E CB 0.303 29.856 29.700 -0.244 0.000 0.934 439 E HN 0.564 nan 8.360 nan 0.000 0.459 440 G N 2.939 111.616 108.800 -0.205 0.000 2.186 440 G HA2 -0.343 3.620 3.960 0.004 0.000 0.266 440 G HA3 -0.343 3.620 3.960 0.004 0.000 0.266 440 G C 0.940 175.781 174.900 -0.098 0.000 0.982 440 G CA 0.665 45.712 45.100 -0.087 0.000 0.670 440 G HN 1.211 nan 8.290 nan 0.000 0.533 441 G N -2.276 106.452 108.800 -0.119 0.000 2.179 441 G HA2 -0.163 3.799 3.960 0.004 0.000 0.257 441 G HA3 -0.163 3.799 3.960 0.004 0.000 0.257 441 G C 1.333 176.154 174.900 -0.132 0.000 1.010 441 G CA 1.163 46.206 45.100 -0.094 0.000 0.736 441 G HN 1.465 nan 8.290 nan 0.000 0.513 442 V N -0.969 118.838 119.914 -0.179 0.000 2.237 442 V HA 0.072 4.194 4.120 0.004 0.000 0.245 442 V C 1.544 177.453 176.094 -0.308 0.000 1.046 442 V CA 1.903 64.074 62.300 -0.214 0.000 1.007 442 V CB -0.429 31.277 31.823 -0.196 0.000 0.638 442 V HN 0.357 nan 8.190 nan 0.000 0.445 443 F N 0.209 120.001 119.950 -0.262 0.000 2.422 443 F HA 0.494 5.023 4.527 0.003 0.000 0.333 443 F C 0.662 176.351 175.800 -0.186 0.000 1.095 443 F CA -0.566 57.281 58.000 -0.256 0.000 1.038 443 F CB 1.444 40.252 39.000 -0.320 0.000 1.156 443 F HN 0.027 nan 8.300 nan 0.000 0.483 444 T N -1.487 113.063 114.554 -0.006 0.000 2.950 444 T HA 0.292 4.644 4.350 0.004 0.000 0.288 444 T C 0.736 175.438 174.700 0.004 0.000 1.035 444 T CA -0.945 61.144 62.100 -0.018 0.000 1.028 444 T CB 1.325 70.154 68.868 -0.066 0.000 1.109 444 T HN 0.395 nan 8.240 nan 0.000 0.514 445 N N 1.466 120.171 118.700 0.007 0.000 2.166 445 N HA -0.130 4.613 4.740 0.004 0.000 0.186 445 N C 1.676 177.187 175.510 0.001 0.000 1.019 445 N CA 1.524 54.577 53.050 0.004 0.000 0.856 445 N CB -0.406 38.106 38.487 0.042 0.000 0.993 445 N HN 0.854 nan 8.380 nan 0.000 0.426 446 D N 0.802 121.202 120.400 -0.001 0.000 2.144 446 D HA -0.164 4.478 4.640 0.004 0.000 0.199 446 D C 2.070 178.383 176.300 0.022 0.000 0.984 446 D CA 0.496 54.499 54.000 0.005 0.000 0.834 446 D CB -0.576 40.211 40.800 -0.021 0.000 0.955 446 D HN 0.268 nan 8.370 nan 0.000 0.465 447 L N 0.212 121.440 121.223 0.008 0.000 2.027 447 L HA -0.097 4.246 4.340 0.004 0.000 0.206 447 L C 2.741 179.723 176.870 0.187 0.000 1.074 447 L CA 0.888 55.767 54.840 0.065 0.000 0.745 447 L CB -0.173 41.891 42.059 0.007 0.000 0.898 447 L HN -0.082 nan 8.230 nan 0.000 0.433 448 I N -0.162 120.487 120.570 0.132 0.000 2.226 448 I HA -0.316 3.856 4.170 0.004 0.000 0.245 448 I C 2.347 178.536 176.117 0.119 0.000 1.100 448 I CA 1.503 62.875 61.300 0.119 0.000 1.374 448 I CB -0.272 37.629 38.000 -0.166 0.000 1.057 448 I HN 0.316 nan 8.210 nan 0.000 0.413 449 E N 0.068 120.305 120.200 0.061 0.000 2.150 449 E HA -0.163 4.189 4.350 0.004 0.000 0.193 449 E C 2.111 178.792 176.600 0.135 0.000 0.985 449 E CA 1.665 58.111 56.400 0.077 0.000 0.814 449 E CB -0.043 29.688 29.700 0.053 0.000 0.752 449 E HN 0.446 nan 8.360 nan 0.000 0.466 450 T N 0.486 115.143 114.554 0.172 0.000 2.777 450 T HA -0.166 4.187 4.350 0.004 0.000 0.266 450 T C 1.228 176.102 174.700 0.289 0.000 1.040 450 T CA 0.735 62.961 62.100 0.210 0.000 1.141 450 T CB -0.278 68.709 68.868 0.199 0.000 0.868 450 T HN 0.402 nan 8.240 nan 0.000 0.444 451 W N 1.705 123.078 121.300 0.121 0.000 2.333 451 W HA -0.132 4.531 4.660 0.005 0.000 0.316 451 W C 1.883 178.459 176.519 0.095 0.000 1.215 451 W CA 1.043 58.459 57.345 0.119 0.000 1.278 451 W CB -0.540 28.987 29.460 0.113 0.000 1.154 451 W HN 0.227 nan 8.180 nan 0.000 0.486 452 I N 0.371 121.074 120.570 0.221 0.000 2.163 452 I HA -0.371 3.802 4.170 0.004 0.000 0.243 452 I C 2.844 178.981 176.117 0.033 0.000 1.085 452 I CA 1.846 63.196 61.300 0.084 0.000 1.347 452 I CB -0.930 37.121 38.000 0.086 0.000 1.044 452 I HN -0.106 nan 8.210 nan 0.000 0.408 453 S N 0.296 116.041 115.700 0.074 0.000 2.356 453 S HA -0.233 4.240 4.470 0.004 0.000 0.223 453 S C 2.049 176.667 174.600 0.029 0.000 1.032 453 S CA 1.430 59.663 58.200 0.054 0.000 1.005 453 S CB -0.444 62.808 63.200 0.087 0.000 0.867 453 S HN 0.425 nan 8.310 nan 0.000 0.449 454 F N 2.355 122.261 119.950 -0.074 0.000 2.095 454 F HA -0.094 4.435 4.527 0.005 0.000 0.298 454 F C 2.233 177.921 175.800 -0.187 0.000 1.104 454 F CA 1.652 59.578 58.000 -0.122 0.000 1.232 454 F CB -0.189 38.720 39.000 -0.151 0.000 0.987 454 F HN 0.091 nan 8.300 nan 0.000 0.475 455 K N 0.362 120.689 120.400 -0.122 0.000 2.057 455 K HA -0.107 4.216 4.320 0.004 0.000 0.206 455 K C 2.210 178.696 176.600 -0.190 0.000 1.050 455 K CA 1.316 57.483 56.287 -0.201 0.000 0.935 455 K CB -0.516 31.838 32.500 -0.244 0.000 0.715 455 K HN 0.342 nan 8.250 nan 0.000 0.439 456 R N 0.938 121.354 120.500 -0.141 0.000 2.066 456 R HA -0.104 4.238 4.340 0.004 0.000 0.232 456 R C 2.275 178.492 176.300 -0.137 0.000 1.131 456 R CA 1.503 57.537 56.100 -0.110 0.000 0.955 456 R CB -0.093 30.168 30.300 -0.065 0.000 0.851 456 R HN 0.312 nan 8.270 nan 0.000 0.432 457 E N -0.259 119.837 120.200 -0.173 0.000 2.112 457 E HA -0.024 4.328 4.350 0.004 0.000 0.190 457 E C 1.363 177.813 176.600 -0.249 0.000 0.979 457 E CA 0.649 56.943 56.400 -0.176 0.000 0.814 457 E CB 0.198 29.810 29.700 -0.147 0.000 0.762 457 E HN 0.314 nan 8.360 nan 0.000 0.460 458 N N -0.146 118.302 118.700 -0.419 0.000 2.282 458 N HA 0.035 4.777 4.740 0.004 0.000 0.185 458 N C 0.859 176.165 175.510 -0.341 0.000 1.099 458 N CA 0.481 53.238 53.050 -0.488 0.000 0.878 458 N CB 0.729 38.613 38.487 -1.005 0.000 0.993 458 N HN 0.208 nan 8.380 nan 0.000 0.481 459 E N 0.142 120.178 120.200 -0.272 0.000 2.905 459 E HA 0.243 4.596 4.350 0.004 0.000 0.197 459 E C 1.630 178.163 176.600 -0.112 0.000 1.016 459 E CA -0.199 56.101 56.400 -0.166 0.000 1.307 459 E CB 0.452 30.070 29.700 -0.136 0.000 1.255 459 E HN -0.023 nan 8.360 nan 0.000 0.527 460 I N 2.103 122.608 120.570 -0.108 0.000 2.142 460 I HA -0.252 3.921 4.170 0.004 0.000 0.240 460 I C 2.684 178.762 176.117 -0.064 0.000 1.078 460 I CA 1.484 62.740 61.300 -0.075 0.000 1.343 460 I CB -0.075 37.881 38.000 -0.073 0.000 1.046 460 I HN 0.165 nan 8.210 nan 0.000 0.405 461 E N 0.994 121.149 120.200 -0.075 0.000 2.047 461 E HA -0.193 4.159 4.350 0.004 0.000 0.191 461 E C -0.563 176.006 176.600 -0.051 0.000 0.987 461 E CA 1.318 57.683 56.400 -0.058 0.000 0.799 461 E CB -0.688 28.975 29.700 -0.062 0.000 0.752 461 E HN 0.266 nan 8.360 nan 0.000 0.449 462 P HA -0.165 nan 4.420 nan 0.000 0.216 462 P C 1.343 178.620 177.300 -0.038 0.000 1.150 462 P CA 1.102 64.169 63.100 -0.056 0.000 0.843 462 P CB 0.071 31.723 31.700 -0.079 0.000 0.787 463 V N -0.404 119.486 119.914 -0.039 0.000 2.488 463 V HA -0.155 3.968 4.120 0.004 0.000 0.246 463 V C 2.053 178.151 176.094 0.006 0.000 1.046 463 V CA 1.717 64.005 62.300 -0.019 0.000 1.053 463 V CB -1.196 30.613 31.823 -0.022 0.000 0.679 463 V HN 0.089 nan 8.190 nan 0.000 0.458 464 N N 0.812 119.510 118.700 -0.003 0.000 2.223 464 N HA -0.099 4.643 4.740 0.004 0.000 0.185 464 N C 1.721 177.240 175.510 0.016 0.000 1.016 464 N CA 1.796 54.850 53.050 0.007 0.000 0.863 464 N CB -0.312 38.170 38.487 -0.009 0.000 0.983 464 N HN 0.727 nan 8.380 nan 0.000 0.429 465 I N -2.480 118.095 120.570 0.009 0.000 3.226 465 I HA 0.122 4.294 4.170 0.004 0.000 0.277 465 I C 0.115 176.254 176.117 0.035 0.000 1.243 465 I CA 0.212 61.521 61.300 0.015 0.000 1.459 465 I CB 0.072 38.074 38.000 0.004 0.000 1.093 465 I HN -0.201 nan 8.210 nan 0.000 0.453 466 R N 2.882 123.408 120.500 0.042 0.000 2.202 466 R HA 0.404 4.746 4.340 0.004 0.000 0.334 466 R C -2.263 174.104 176.300 0.112 0.000 1.036 466 R CA -1.782 54.357 56.100 0.065 0.000 0.878 466 R CB 0.337 30.662 30.300 0.040 0.000 1.067 466 R HN 0.072 nan 8.270 nan 0.000 0.457 467 P HA -0.133 nan 4.420 nan 0.000 0.264 467 P C -0.769 176.713 177.300 0.302 0.000 1.183 467 P CA 0.399 63.648 63.100 0.248 0.000 0.763 467 P CB 0.411 32.322 31.700 0.353 0.000 0.807 468 H N 5.146 124.349 119.070 0.222 0.000 2.548 468 H HA 0.150 4.709 4.556 0.004 0.000 0.331 468 H C -1.603 173.918 175.328 0.322 0.000 1.093 468 H CA -2.046 54.127 56.048 0.209 0.000 1.367 468 H CB 1.076 30.932 29.762 0.158 0.000 1.455 468 H HN 0.228 nan 8.280 nan 0.000 0.519 469 P HA -0.209 nan 4.420 nan 0.000 0.217 469 P C 1.069 178.672 177.300 0.504 0.000 1.151 469 P CA 1.282 64.587 63.100 0.342 0.000 0.849 469 P CB -0.130 31.649 31.700 0.132 0.000 0.787 470 Y N 0.680 121.288 120.300 0.514 0.000 2.421 470 Y HA -0.125 4.428 4.550 0.004 0.000 0.292 470 Y C 1.979 177.917 175.900 0.063 0.000 1.136 470 Y CA 1.205 59.421 58.100 0.194 0.000 1.255 470 Y CB -0.534 37.926 38.460 0.000 0.000 0.991 470 Y HN 0.055 nan 8.280 nan 0.000 0.552 471 E N -1.103 119.203 120.200 0.177 0.000 2.204 471 E HA -0.197 4.155 4.350 0.004 0.000 0.195 471 E C 1.624 178.155 176.600 -0.114 0.000 0.990 471 E CA 1.191 57.605 56.400 0.023 0.000 0.821 471 E CB -0.283 29.519 29.700 0.170 0.000 0.750 471 E HN 0.487 nan 8.360 nan 0.000 0.477 472 F N 0.487 120.455 119.950 0.030 0.000 2.234 472 F HA -0.005 4.525 4.527 0.004 0.000 0.296 472 F C 2.410 178.170 175.800 -0.066 0.000 1.089 472 F CA 0.670 58.702 58.000 0.054 0.000 1.343 472 F CB -0.251 38.791 39.000 0.071 0.000 1.040 472 F HN -0.002 nan 8.300 nan 0.000 0.498 473 A N 0.341 123.124 122.820 -0.062 0.000 1.908 473 A HA -0.147 4.176 4.320 0.004 0.000 0.218 473 A C 2.173 179.516 177.584 -0.401 0.000 1.181 473 A CA 1.552 53.425 52.037 -0.274 0.000 0.627 473 A CB -1.023 17.667 19.000 -0.517 0.000 0.818 473 A HN 0.396 nan 8.150 nan 0.000 0.445 474 L N -2.871 117.965 121.223 -0.645 0.000 2.131 474 L HA -0.074 4.269 4.340 0.004 0.000 0.206 474 L C 1.732 178.266 176.870 -0.560 0.000 1.087 474 L CA 1.037 55.400 54.840 -0.794 0.000 0.767 474 L CB -0.166 41.064 42.059 -1.382 0.000 0.917 474 L HN 0.531 nan 8.230 nan 0.000 0.441 475 Y N -4.089 116.144 120.300 -0.112 0.000 2.527 475 Y HA 0.076 4.629 4.550 0.004 0.000 0.247 475 Y C 1.707 177.559 175.900 -0.080 0.000 1.138 475 Y CA -1.261 56.774 58.100 -0.109 0.000 1.228 475 Y CB -0.598 37.762 38.460 -0.167 0.000 1.252 475 Y HN -0.030 nan 8.280 nan 0.000 0.531 476 Y N 2.670 122.970 120.300 -0.000 0.000 2.207 476 Y HA -0.238 4.314 4.550 0.004 0.000 0.287 476 Y C 1.525 177.441 175.900 0.027 0.000 1.156 476 Y CA 2.156 60.271 58.100 0.025 0.000 1.182 476 Y CB 0.047 38.563 38.460 0.094 0.000 0.979 476 Y HN 0.229 nan 8.280 nan 0.000 0.521 477 D N 0.092 120.550 120.400 0.097 0.000 2.395 477 D HA 0.055 4.697 4.640 0.004 0.000 0.226 477 D C 0.617 176.914 176.300 -0.004 0.000 1.146 477 D CA 0.402 54.424 54.000 0.037 0.000 0.830 477 D CB -1.362 39.500 40.800 0.103 0.000 0.958 477 D HN 0.220 nan 8.370 nan 0.000 0.501 478 V N 0.000 119.904 119.914 -0.017 0.000 2.409 478 V HA 0.000 4.122 4.120 0.004 0.000 0.244 478 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 478 V CB 0.000 31.816 31.823 -0.013 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556