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 2fkp_1_A DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LCTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSCLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.479 176.300 0.299 0.000 0.893 6 R CA 0.000 56.222 56.100 0.204 0.000 0.921 6 R CB 0.000 30.370 30.300 0.117 0.000 0.687 7 M N 1.294 120.996 119.600 0.169 0.000 2.202 7 M HA 0.403 4.884 4.480 0.001 0.000 0.316 7 M C -0.492 175.940 176.300 0.220 0.000 1.138 7 M CA -0.250 55.113 55.300 0.105 0.000 1.151 7 M CB 0.326 32.878 32.600 -0.081 0.000 1.422 7 M HN 0.498 nan 8.290 nan 0.000 0.471 8 F N -0.555 119.465 119.950 0.116 0.000 2.508 8 F HA 0.707 5.235 4.527 0.001 0.000 0.325 8 F C -0.665 175.214 175.800 0.132 0.000 1.090 8 F CA -1.211 56.875 58.000 0.144 0.000 0.945 8 F CB 0.957 40.080 39.000 0.205 0.000 1.156 8 F HN 0.419 nan 8.300 nan 0.000 0.463 9 K N 4.318 124.843 120.400 0.208 0.000 2.213 9 K HA 0.559 4.880 4.320 0.001 0.000 0.270 9 K C -1.097 175.659 176.600 0.260 0.000 1.002 9 K CA -0.582 55.781 56.287 0.127 0.000 0.868 9 K CB 0.970 33.511 32.500 0.068 0.000 1.093 9 K HN 0.868 nan 8.250 nan 0.000 0.454 10 I N 5.371 126.116 120.570 0.292 0.000 2.308 10 I HA 0.030 4.201 4.170 0.001 0.000 0.293 10 I C 1.071 177.307 176.117 0.197 0.000 1.078 10 I CA -0.206 61.266 61.300 0.286 0.000 1.292 10 I CB 1.073 39.259 38.000 0.310 0.000 1.423 10 I HN 0.722 nan 8.210 nan 0.000 0.493 11 E N 5.103 125.411 120.200 0.181 0.000 2.122 11 E HA 0.172 4.523 4.350 0.001 0.000 0.190 11 E C 0.507 177.189 176.600 0.137 0.000 0.977 11 E CA 0.391 56.873 56.400 0.136 0.000 0.820 11 E CB 0.450 30.219 29.700 0.115 0.000 0.770 11 E HN 0.715 nan 8.360 nan 0.000 0.462 12 A N 0.104 123.035 122.820 0.186 0.000 2.612 12 A HA 0.718 5.039 4.320 0.001 0.000 0.293 12 A C -1.627 176.118 177.584 0.268 0.000 1.075 12 A CA -0.070 52.084 52.037 0.194 0.000 0.680 12 A CB 1.724 20.797 19.000 0.122 0.000 1.279 12 A HN 0.062 nan 8.150 nan 0.000 0.411 13 A N 0.640 123.611 122.820 0.251 0.000 2.455 13 A HA 0.760 5.080 4.320 0.001 0.000 0.300 13 A C -0.985 176.743 177.584 0.239 0.000 1.040 13 A CA -0.421 51.752 52.037 0.226 0.000 0.697 13 A CB 1.130 20.226 19.000 0.160 0.000 1.265 13 A HN 0.740 nan 8.150 nan 0.000 0.407 14 E N 1.423 121.743 120.200 0.200 0.000 2.183 14 E HA 0.571 4.921 4.350 0.001 0.000 0.271 14 E C -1.206 175.465 176.600 0.118 0.000 0.919 14 E CA -0.480 56.016 56.400 0.159 0.000 0.781 14 E CB 2.376 32.166 29.700 0.151 0.000 1.140 14 E HN 0.567 nan 8.360 nan 0.000 0.402 15 I N 2.666 123.308 120.570 0.119 0.000 2.339 15 I HA 0.265 4.435 4.170 0.001 0.000 0.290 15 I C -0.789 175.355 176.117 0.046 0.000 0.994 15 I CA -0.949 60.396 61.300 0.075 0.000 1.191 15 I CB 1.402 39.453 38.000 0.085 0.000 1.343 15 I HN 0.185 nan 8.210 nan 0.000 0.458 16 V N 7.278 127.205 119.914 0.023 0.000 2.409 16 V HA 0.360 4.481 4.120 0.001 0.000 0.291 16 V C -0.093 175.994 176.094 -0.011 0.000 1.020 16 V CA -0.720 61.582 62.300 0.002 0.000 0.848 16 V CB 1.975 33.795 31.823 -0.004 0.000 0.990 16 V HN 0.379 nan 8.190 nan 0.000 0.430 17 V N 4.393 124.297 119.914 -0.017 0.000 2.347 17 V HA 0.788 4.908 4.120 0.001 0.000 0.280 17 V C 0.498 176.569 176.094 -0.039 0.000 1.021 17 V CA -0.324 61.962 62.300 -0.023 0.000 0.847 17 V CB 1.352 33.165 31.823 -0.016 0.000 0.990 17 V HN 0.985 nan 8.190 nan 0.000 0.444 18 A N 5.147 127.937 122.820 -0.049 0.000 2.320 18 A HA 0.859 5.179 4.320 0.001 0.000 0.334 18 A C -0.078 177.482 177.584 -0.039 0.000 1.147 18 A CA -0.847 51.148 52.037 -0.069 0.000 0.820 18 A CB 1.114 20.049 19.000 -0.110 0.000 1.218 18 A HN 0.786 nan 8.150 nan 0.000 0.482 19 R N 1.828 122.313 120.500 -0.026 0.000 2.352 19 R HA 0.464 4.805 4.340 0.001 0.000 0.304 19 R C -1.879 174.507 176.300 0.144 0.000 1.104 19 R CA -0.518 55.612 56.100 0.051 0.000 0.991 19 R CB 0.556 30.853 30.300 -0.005 0.000 1.140 19 R HN 0.588 nan 8.270 nan 0.000 0.540 20 L N 6.627 127.932 121.223 0.137 0.000 2.272 20 L HA 0.527 4.867 4.340 0.001 0.000 0.289 20 L C -2.396 174.636 176.870 0.270 0.000 1.032 20 L CA -2.376 52.523 54.840 0.098 0.000 0.810 20 L CB 1.372 43.281 42.059 -0.251 0.000 1.205 20 L HN 0.480 nan 8.230 nan 0.000 0.422 21 P HA 0.133 nan 4.420 nan 0.000 0.267 21 P C -0.634 176.796 177.300 0.216 0.000 1.209 21 P CA 0.058 63.085 63.100 -0.122 0.000 0.763 21 P CB 0.418 32.054 31.700 -0.107 0.000 0.816 22 L N 2.610 123.894 121.223 0.102 0.000 2.453 22 L HA 0.253 4.594 4.340 0.001 0.000 0.261 22 L C 1.441 178.317 176.870 0.010 0.000 1.179 22 L CA -0.365 54.510 54.840 0.058 0.000 0.813 22 L CB 0.216 42.241 42.059 -0.057 0.000 1.110 22 L HN 0.357 nan 8.230 nan 0.000 0.466 35 H N 0.829 119.960 119.070 0.102 0.000 2.797 35 H HA 0.725 5.282 4.556 0.001 0.000 0.372 35 H C -1.072 174.353 175.328 0.162 0.000 1.168 35 H CA -0.773 55.361 56.048 0.142 0.000 1.163 35 H CB 2.296 32.115 29.762 0.096 0.000 1.778 35 H HN 0.380 nan 8.280 nan 0.000 0.551 36 K N 1.782 122.388 120.400 0.343 0.000 2.397 36 K HA 0.286 4.606 4.320 0.001 0.000 0.253 36 K C -1.139 175.577 176.600 0.193 0.000 0.932 36 K CA -0.673 55.782 56.287 0.280 0.000 0.795 36 K CB 2.140 34.892 32.500 0.419 0.000 1.159 36 K HN 0.261 nan 8.250 nan 0.000 0.424 37 V N 4.286 124.273 119.914 0.122 0.000 2.470 37 V HA 0.114 4.235 4.120 0.001 0.000 0.276 37 V C -0.250 175.869 176.094 0.043 0.000 1.040 37 V CA -0.366 61.971 62.300 0.062 0.000 1.008 37 V CB 1.153 32.999 31.823 0.039 0.000 0.990 37 V HN 0.434 nan 8.190 nan 0.000 0.477 38 V N 8.633 128.549 119.914 0.004 0.000 2.326 38 V HA 0.352 4.473 4.120 0.001 0.000 0.281 38 V C -2.361 173.717 176.094 -0.027 0.000 1.015 38 V CA -1.760 60.527 62.300 -0.021 0.000 0.823 38 V CB 1.684 33.456 31.823 -0.085 0.000 1.009 38 V HN 0.753 nan 8.190 nan 0.000 0.436 39 P HA 0.492 nan 4.420 nan 0.000 0.293 39 P C -0.947 176.343 177.300 -0.017 0.000 1.300 39 P CA -0.239 62.852 63.100 -0.015 0.000 0.792 39 P CB 1.067 32.761 31.700 -0.010 0.000 0.925 40 L N 3.395 124.609 121.223 -0.014 0.000 2.346 40 L HA 0.596 4.937 4.340 0.001 0.000 0.274 40 L C -0.255 176.617 176.870 0.003 0.000 1.007 40 L CA -1.152 53.682 54.840 -0.009 0.000 0.818 40 L CB 1.962 44.015 42.059 -0.011 0.000 1.284 40 L HN 0.217 nan 8.230 nan 0.000 0.424 41 L N 3.829 125.053 121.223 0.003 0.000 2.333 41 L HA 0.630 4.971 4.340 0.001 0.000 0.280 41 L C -0.927 175.941 176.870 -0.003 0.000 1.004 41 L CA 0.032 54.879 54.840 0.012 0.000 0.820 41 L CB 1.462 43.529 42.059 0.013 0.000 1.247 41 L HN 0.390 nan 8.230 nan 0.000 0.416 42 I N 6.013 126.577 120.570 -0.011 0.000 2.362 42 I HA 0.383 4.553 4.170 0.001 0.000 0.289 42 I C -0.765 175.270 176.117 -0.136 0.000 0.994 42 I CA -0.458 60.785 61.300 -0.095 0.000 1.158 42 I CB 1.506 39.435 38.000 -0.118 0.000 1.315 42 I HN 0.438 nan 8.210 nan 0.000 0.451 43 L N 6.004 127.125 121.223 -0.170 0.000 2.307 43 L HA 0.497 4.837 4.340 0.001 0.000 0.284 43 L C -0.419 176.320 176.870 -0.218 0.000 1.023 43 L CA -0.662 54.117 54.840 -0.102 0.000 0.810 43 L CB 0.948 43.000 42.059 -0.011 0.000 1.231 43 L HN 0.524 nan 8.230 nan 0.000 0.423 44 H N 2.172 121.289 119.070 0.078 0.000 2.469 44 H HA 0.731 5.287 4.556 0.001 0.000 0.342 44 H C -0.088 175.301 175.328 0.101 0.000 1.115 44 H CA -0.517 55.575 56.048 0.074 0.000 1.204 44 H CB 2.296 32.096 29.762 0.063 0.000 1.492 44 H HN 0.779 nan 8.280 nan 0.000 0.499 45 G N 1.142 110.070 108.800 0.213 0.000 2.556 45 G HA2 0.188 4.149 3.960 0.001 0.000 0.294 45 G HA3 0.188 4.149 3.960 0.001 0.000 0.294 45 G C -0.793 174.202 174.900 0.158 0.000 1.516 45 G CA -0.865 44.353 45.100 0.198 0.000 0.824 45 G HN 0.458 nan 8.290 nan 0.000 0.535 46 E N -0.744 119.544 120.200 0.146 0.000 2.586 46 E HA -0.275 4.076 4.350 0.001 0.000 0.259 46 E C 1.490 178.141 176.600 0.085 0.000 1.107 46 E CA 1.985 58.456 56.400 0.119 0.000 0.754 46 E CB -1.610 28.178 29.700 0.147 0.000 1.335 46 E HN 2.594 nan 8.360 nan 0.000 0.411 47 G N -1.722 107.129 108.800 0.085 0.000 2.184 47 G HA2 -0.363 3.598 3.960 0.001 0.000 0.264 47 G HA3 -0.363 3.598 3.960 0.001 0.000 0.264 47 G C 0.521 175.460 174.900 0.066 0.000 0.975 47 G CA 1.261 46.402 45.100 0.068 0.000 0.642 47 G HN 1.048 nan 8.290 nan 0.000 0.536 48 V N -2.869 117.087 119.914 0.069 0.000 3.181 48 V HA 0.978 5.099 4.120 0.001 0.000 0.314 48 V C -0.310 175.816 176.094 0.054 0.000 1.173 48 V CA -0.201 62.126 62.300 0.044 0.000 1.052 48 V CB 1.799 33.620 31.823 -0.003 0.000 1.123 48 V HN 1.072 nan 8.190 nan 0.000 0.454 49 Q N 0.458 120.255 119.800 -0.006 0.000 2.389 49 Q HA 0.791 5.131 4.340 0.001 0.000 0.277 49 Q C -0.605 175.338 176.000 -0.095 0.000 1.082 49 Q CA -0.623 55.120 55.803 -0.099 0.000 0.810 49 Q CB 2.232 30.863 28.738 -0.177 0.000 1.374 49 Q HN 1.257 nan 8.270 nan 0.000 0.422 50 G N 0.921 109.655 108.800 -0.110 0.000 2.461 50 G HA2 0.586 4.547 3.960 0.001 0.000 0.323 50 G HA3 0.586 4.547 3.960 0.001 0.000 0.323 50 G C -1.162 173.720 174.900 -0.030 0.000 1.229 50 G CA -0.659 44.414 45.100 -0.046 0.000 0.941 50 G HN 0.419 nan 8.290 nan 0.000 0.477 51 V N 0.816 120.755 119.914 0.042 0.000 2.540 51 V HA 0.845 4.966 4.120 0.001 0.000 0.302 51 V C 0.231 176.430 176.094 0.176 0.000 1.035 51 V CA -0.588 61.749 62.300 0.062 0.000 0.873 51 V CB 1.224 33.069 31.823 0.036 0.000 0.992 51 V HN 1.192 nan 8.190 nan 0.000 0.428 52 A N 3.370 126.228 122.820 0.063 0.000 2.479 52 A HA 0.902 5.223 4.320 0.001 0.000 0.296 52 A C -0.903 176.654 177.584 -0.044 0.000 1.121 52 A CA -0.661 51.350 52.037 -0.043 0.000 0.743 52 A CB 1.957 20.856 19.000 -0.169 0.000 1.323 52 A HN 0.829 nan 8.150 nan 0.000 0.415 53 E N 0.680 120.830 120.200 -0.083 0.000 2.210 53 E HA 0.531 4.882 4.350 0.001 0.000 0.266 53 E C 0.056 176.620 176.600 -0.060 0.000 0.883 53 E CA -0.675 55.697 56.400 -0.047 0.000 0.761 53 E CB 1.600 31.288 29.700 -0.019 0.000 1.156 53 E HN 0.927 nan 8.360 nan 0.000 0.412 54 G N 1.532 110.309 108.800 -0.037 0.000 2.403 54 G HA2 0.179 4.140 3.960 0.001 0.000 0.259 54 G HA3 0.179 4.140 3.960 0.001 0.000 0.259 54 G C 0.635 175.518 174.900 -0.028 0.000 1.244 54 G CA 0.003 45.085 45.100 -0.030 0.000 0.849 54 G HN 0.599 nan 8.290 nan 0.000 0.532 55 T N 0.428 114.963 114.554 -0.033 0.000 3.092 55 T HA 0.202 4.553 4.350 0.001 0.000 0.258 55 T C 1.086 175.774 174.700 -0.021 0.000 1.031 55 T CA -0.432 61.644 62.100 -0.040 0.000 0.925 55 T CB -0.097 68.726 68.868 -0.076 0.000 1.036 55 T HN 0.511 nan 8.240 nan 0.000 0.544 56 M N 1.107 120.706 119.600 -0.002 0.000 2.241 56 M HA 0.551 5.032 4.480 0.001 0.000 0.335 56 M C -0.533 175.771 176.300 0.007 0.000 1.122 56 M CA -0.115 55.192 55.300 0.011 0.000 1.164 56 M CB 0.408 33.014 32.600 0.009 0.000 1.459 56 M HN 0.070 nan 8.290 nan 0.000 0.461 57 E N 1.410 121.616 120.200 0.011 0.000 2.254 57 E HA 0.613 4.963 4.350 0.001 0.000 0.258 57 E C 0.881 177.483 176.600 0.004 0.000 1.033 57 E CA -0.504 55.902 56.400 0.011 0.000 0.893 57 E CB 1.224 30.933 29.700 0.016 0.000 1.204 57 E HN 0.806 nan 8.360 nan 0.000 0.425 58 A N 1.067 123.891 122.820 0.006 0.000 1.933 58 A HA -0.118 4.202 4.320 0.001 0.000 0.218 58 A C 0.907 178.487 177.584 -0.005 0.000 1.175 58 A CA 1.312 53.349 52.037 0.000 0.000 0.628 58 A CB -0.084 18.919 19.000 0.004 0.000 0.814 58 A HN 0.386 nan 8.150 nan 0.000 0.444 59 R N -0.755 119.742 120.500 -0.006 0.000 2.778 59 R HA 0.404 4.744 4.340 0.001 0.000 0.277 59 R C -2.898 173.387 176.300 -0.025 0.000 0.977 59 R CA -2.212 53.880 56.100 -0.014 0.000 0.950 59 R CB 1.183 31.476 30.300 -0.012 0.000 1.165 59 R HN 0.028 nan 8.270 nan 0.000 0.474 60 P HA 0.138 nan 4.420 nan 0.000 0.247 60 P C -0.403 176.829 177.300 -0.113 0.000 1.756 60 P CA 0.202 63.255 63.100 -0.079 0.000 1.117 60 P CB 0.441 32.088 31.700 -0.088 0.000 1.869 61 M N 0.974 120.525 119.600 -0.082 0.000 2.858 61 M HA 0.050 4.531 4.480 0.001 0.000 0.255 61 M C 1.808 178.043 176.300 -0.107 0.000 1.336 61 M CA 0.744 55.995 55.300 -0.081 0.000 1.220 61 M CB -0.250 32.338 32.600 -0.020 0.000 1.252 61 M HN 0.083 nan 8.290 nan 0.000 0.538 62 Y N 0.962 121.163 120.300 -0.165 0.000 2.243 62 Y HA 0.181 4.731 4.550 0.001 0.000 0.293 62 Y C 1.322 177.037 175.900 -0.309 0.000 1.124 62 Y CA 1.149 59.144 58.100 -0.176 0.000 1.159 62 Y CB 0.448 38.846 38.460 -0.102 0.000 1.008 62 Y HN -0.036 nan 8.280 nan 0.000 0.527 63 R N -0.886 119.376 120.500 -0.397 0.000 3.142 63 R HA 0.098 4.438 4.340 0.001 0.000 0.260 63 R C 0.934 176.999 176.300 -0.391 0.000 1.129 63 R CA 0.164 55.880 56.100 -0.640 0.000 0.976 63 R CB 0.545 30.561 30.300 -0.474 0.000 1.396 63 R HN 0.125 nan 8.270 nan 0.000 0.434 64 E N 0.889 120.917 120.200 -0.287 0.000 2.385 64 E HA 0.038 4.389 4.350 0.001 0.000 0.194 64 E C -0.606 175.957 176.600 -0.063 0.000 1.013 64 E CA 0.746 57.054 56.400 -0.153 0.000 0.866 64 E CB 0.356 30.036 29.700 -0.033 0.000 0.832 64 E HN 0.426 nan 8.360 nan 0.000 0.500 65 E N 1.306 121.484 120.200 -0.037 0.000 2.349 65 E HA 0.266 4.617 4.350 0.001 0.000 0.265 65 E C -0.190 176.400 176.600 -0.016 0.000 1.064 65 E CA 0.008 56.401 56.400 -0.011 0.000 0.886 65 E CB 1.194 30.901 29.700 0.011 0.000 1.036 65 E HN 0.260 nan 8.360 nan 0.000 0.413 66 T N -1.870 112.673 114.554 -0.017 0.000 2.906 66 T HA 0.379 4.730 4.350 0.001 0.000 0.295 66 T C 1.072 175.761 174.700 -0.018 0.000 1.075 66 T CA -0.770 61.320 62.100 -0.017 0.000 1.005 66 T CB 0.727 69.583 68.868 -0.020 0.000 1.136 66 T HN 0.390 nan 8.240 nan 0.000 0.498 67 I N 1.207 121.768 120.570 -0.014 0.000 2.163 67 I HA -0.158 4.012 4.170 0.001 0.000 0.243 67 I C 3.047 179.148 176.117 -0.027 0.000 1.085 67 I CA 1.912 63.202 61.300 -0.017 0.000 1.347 67 I CB -0.761 37.233 38.000 -0.010 0.000 1.044 67 I HN 0.898 nan 8.210 nan 0.000 0.408 68 A N 0.967 123.772 122.820 -0.026 0.000 1.883 68 A HA -0.165 4.155 4.320 0.001 0.000 0.217 68 A C 2.454 180.009 177.584 -0.048 0.000 1.186 68 A CA 2.098 54.115 52.037 -0.033 0.000 0.624 68 A CB -1.536 17.448 19.000 -0.026 0.000 0.822 68 A HN 0.479 nan 8.150 nan 0.000 0.444 69 G N -0.640 108.131 108.800 -0.049 0.000 2.421 69 G HA2 -0.015 3.945 3.960 0.001 0.000 0.216 69 G HA3 -0.015 3.945 3.960 0.001 0.000 0.216 69 G C 1.780 176.621 174.900 -0.099 0.000 1.171 69 G CA 1.638 46.698 45.100 -0.067 0.000 0.775 69 G HN 0.837 nan 8.290 nan 0.000 0.543 70 A N 0.484 123.257 122.820 -0.079 0.000 1.877 70 A HA 0.113 4.434 4.320 0.001 0.000 0.216 70 A C 2.457 179.970 177.584 -0.119 0.000 1.186 70 A CA 1.306 53.288 52.037 -0.092 0.000 0.620 70 A CB -0.416 18.559 19.000 -0.041 0.000 0.822 70 A HN 0.345 nan 8.150 nan 0.000 0.443 71 L N -0.757 120.416 121.223 -0.084 0.000 2.093 71 L HA -0.167 4.173 4.340 0.001 0.000 0.208 71 L C 2.391 179.195 176.870 -0.111 0.000 1.085 71 L CA 1.778 56.572 54.840 -0.076 0.000 0.755 71 L CB -0.669 41.366 42.059 -0.039 0.000 0.904 71 L HN 0.506 nan 8.230 nan 0.000 0.435 72 D N 0.391 120.722 120.400 -0.115 0.000 2.117 72 D HA -0.240 4.401 4.640 0.001 0.000 0.197 72 D C 2.113 178.281 176.300 -0.221 0.000 0.987 72 D CA 0.985 54.906 54.000 -0.132 0.000 0.829 72 D CB 0.101 40.837 40.800 -0.107 0.000 0.961 72 D HN 0.084 nan 8.370 nan 0.000 0.460 73 L N 0.162 121.204 121.223 -0.303 0.000 2.046 73 L HA -0.037 4.303 4.340 0.001 0.000 0.208 73 L C 2.098 178.583 176.870 -0.643 0.000 1.077 73 L CA 1.412 55.924 54.840 -0.548 0.000 0.747 73 L CB -0.527 41.133 42.059 -0.664 0.000 0.896 73 L HN 0.217 nan 8.230 nan 0.000 0.432 74 L N -0.365 120.615 121.223 -0.405 0.000 1.994 74 L HA -0.227 4.113 4.340 0.001 0.000 0.208 74 L C 2.829 179.563 176.870 -0.226 0.000 1.071 74 L CA 2.059 56.764 54.840 -0.226 0.000 0.745 74 L CB -0.673 41.327 42.059 -0.098 0.000 0.892 74 L HN 0.400 nan 8.230 nan 0.000 0.431 75 R N -0.045 120.309 120.500 -0.244 0.000 2.153 75 R HA -0.008 4.332 4.340 0.001 0.000 0.218 75 R C 1.993 178.157 176.300 -0.227 0.000 1.072 75 R CA 1.214 57.113 56.100 -0.334 0.000 0.990 75 R CB -0.626 29.545 30.300 -0.215 0.000 0.889 75 R HN 0.246 nan 8.270 nan 0.000 0.452 76 G N -0.636 108.050 108.800 -0.189 0.000 2.744 76 G HA2 0.019 3.979 3.960 0.001 0.000 0.211 76 G HA3 0.019 3.979 3.960 0.001 0.000 0.211 76 G C 0.692 175.499 174.900 -0.154 0.000 1.146 76 G CA 0.679 45.693 45.100 -0.144 0.000 0.787 76 G HN 0.359 nan 8.290 nan 0.000 0.534 77 T N -0.498 113.922 114.554 -0.224 0.000 3.388 77 T HA 0.178 4.529 4.350 0.001 0.000 0.254 77 T C 1.657 176.360 174.700 0.004 0.000 1.002 77 T CA -0.231 61.743 62.100 -0.210 0.000 1.164 77 T CB -0.064 68.492 68.868 -0.520 0.000 1.184 77 T HN -0.026 nan 8.240 nan 0.000 0.399 78 F N 2.133 121.976 119.950 -0.178 0.000 2.113 78 F HA 0.235 4.763 4.527 0.001 0.000 0.297 78 F C 2.185 177.942 175.800 -0.072 0.000 1.103 78 F CA 0.331 58.263 58.000 -0.114 0.000 1.248 78 F CB -1.224 37.709 39.000 -0.111 0.000 0.999 78 F HN 0.079 nan 8.300 nan 0.000 0.475 79 L N -0.357 120.921 121.223 0.092 0.000 2.027 79 L HA -0.124 4.217 4.340 0.001 0.000 0.206 79 L C -0.307 176.586 176.870 0.038 0.000 1.074 79 L CA 1.222 56.076 54.840 0.023 0.000 0.745 79 L CB -2.049 39.949 42.059 -0.102 0.000 0.898 79 L HN 0.040 nan 8.230 nan 0.000 0.433 80 P HA -0.158 nan 4.420 nan 0.000 0.219 80 P C 1.318 178.666 177.300 0.080 0.000 1.146 80 P CA 1.531 64.658 63.100 0.045 0.000 0.808 80 P CB 0.004 31.720 31.700 0.026 0.000 0.779 81 A N -0.463 122.421 122.820 0.106 0.000 2.014 81 A HA -0.095 4.226 4.320 0.001 0.000 0.218 81 A C 1.995 179.677 177.584 0.164 0.000 1.163 81 A CA 1.394 53.511 52.037 0.133 0.000 0.652 81 A CB -1.224 17.875 19.000 0.165 0.000 0.808 81 A HN 0.375 nan 8.150 nan 0.000 0.449 82 I N -4.409 116.263 120.570 0.170 0.000 4.139 82 I HA 0.337 4.508 4.170 0.001 0.000 0.320 82 I C 0.103 176.371 176.117 0.252 0.000 1.290 82 I CA -0.313 61.156 61.300 0.282 0.000 1.253 82 I CB -0.027 38.056 38.000 0.139 0.000 1.122 82 I HN -0.069 nan 8.210 nan 0.000 0.421 83 L N 3.586 124.903 121.223 0.157 0.000 2.499 83 L HA 0.278 4.618 4.340 0.001 0.000 0.273 83 L C 1.402 178.334 176.870 0.103 0.000 1.195 83 L CA 1.200 56.122 54.840 0.137 0.000 0.882 83 L CB 0.472 42.599 42.059 0.114 0.000 1.133 83 L HN 0.616 nan 8.230 nan 0.000 0.483 84 G N 1.524 110.380 108.800 0.093 0.000 2.179 84 G HA2 -0.209 3.751 3.960 0.001 0.000 0.260 84 G HA3 -0.209 3.751 3.960 0.001 0.000 0.260 84 G C 0.277 175.164 174.900 -0.020 0.000 0.977 84 G CA -0.350 44.774 45.100 0.040 0.000 0.641 84 G HN 0.512 nan 8.290 nan 0.000 0.533 85 Q N 0.419 120.199 119.800 -0.034 0.000 2.205 85 Q HA 0.641 4.982 4.340 0.001 0.000 0.249 85 Q C -0.206 175.499 176.000 -0.493 0.000 0.948 85 Q CA 0.044 55.669 55.803 -0.296 0.000 0.895 85 Q CB 1.471 29.965 28.738 -0.407 0.000 1.249 85 Q HN 0.207 nan 8.270 nan 0.000 0.458 86 T N 2.015 116.130 114.554 -0.731 0.000 2.797 86 T HA 0.670 5.021 4.350 0.001 0.000 0.279 86 T C -0.806 173.300 174.700 -0.990 0.000 0.991 86 T CA -0.269 61.459 62.100 -0.619 0.000 0.979 86 T CB 0.253 68.922 68.868 -0.332 0.000 0.943 86 T HN 0.237 nan 8.240 nan 0.000 0.444 87 F N 0.381 119.927 119.950 -0.672 0.000 2.563 87 F HA 0.600 5.128 4.527 0.001 0.000 0.316 87 F C 1.056 176.351 175.800 -0.842 0.000 1.076 87 F CA -1.224 56.300 58.000 -0.793 0.000 0.921 87 F CB 1.553 39.939 39.000 -1.022 0.000 1.209 87 F HN 0.634 nan 8.300 nan 0.000 0.462 88 A N 2.046 124.647 122.820 -0.365 0.000 1.930 88 A HA 0.113 4.433 4.320 0.001 0.000 0.215 88 A C 0.307 177.534 177.584 -0.594 0.000 1.176 88 A CA 1.180 53.006 52.037 -0.352 0.000 0.632 88 A CB -0.561 18.303 19.000 -0.227 0.000 0.819 88 A HN 0.861 nan 8.150 nan 0.000 0.445 89 N N -3.563 114.810 118.700 -0.545 0.000 3.046 89 N HA 0.218 4.959 4.740 0.001 0.000 0.243 89 N C -3.044 172.149 175.510 -0.529 0.000 1.452 89 N CA -1.441 51.105 53.050 -0.840 0.000 0.882 89 N CB 0.821 38.827 38.487 -0.801 0.000 1.425 89 N HN -0.305 nan 8.380 nan 0.000 0.517 90 P HA -0.079 nan 4.420 nan 0.000 0.220 90 P C 0.616 177.677 177.300 -0.398 0.000 1.148 90 P CA 1.368 64.081 63.100 -0.645 0.000 0.803 90 P CB 0.179 31.047 31.700 -1.386 0.000 0.782 91 E N -0.192 119.817 120.200 -0.318 0.000 2.077 91 E HA -0.143 4.207 4.350 0.001 0.000 0.193 91 E C 2.145 178.663 176.600 -0.136 0.000 0.989 91 E CA 1.535 57.855 56.400 -0.134 0.000 0.800 91 E CB -1.069 28.595 29.700 -0.059 0.000 0.746 91 E HN 0.153 nan 8.360 nan 0.000 0.452 92 A N 0.464 123.186 122.820 -0.163 0.000 1.933 92 A HA -0.150 4.171 4.320 0.001 0.000 0.218 92 A C 2.453 179.972 177.584 -0.108 0.000 1.175 92 A CA 1.321 53.316 52.037 -0.071 0.000 0.628 92 A CB -0.713 18.278 19.000 -0.016 0.000 0.814 92 A HN 0.143 nan 8.150 nan 0.000 0.444 93 V N 0.006 119.678 119.914 -0.403 0.000 2.255 93 V HA -0.272 3.848 4.120 0.001 0.000 0.247 93 V C 2.801 178.680 176.094 -0.358 0.000 1.051 93 V CA 2.464 64.333 62.300 -0.718 0.000 1.018 93 V CB -1.062 30.318 31.823 -0.739 0.000 0.641 93 V HN 0.564 nan 8.190 nan 0.000 0.445 94 S N -0.224 115.329 115.700 -0.245 0.000 2.359 94 S HA -0.303 4.167 4.470 0.001 0.000 0.224 94 S C 1.840 176.365 174.600 -0.126 0.000 1.035 94 S CA 1.940 60.036 58.200 -0.173 0.000 1.018 94 S CB -0.579 62.563 63.200 -0.097 0.000 0.876 94 S HN 0.804 nan 8.310 nan 0.000 0.448 95 D N 1.568 121.918 120.400 -0.084 0.000 2.149 95 D HA -0.152 4.489 4.640 0.001 0.000 0.194 95 D C 1.822 178.109 176.300 -0.021 0.000 1.001 95 D CA 1.406 55.382 54.000 -0.040 0.000 0.849 95 D CB -0.314 40.473 40.800 -0.021 0.000 0.939 95 D HN 0.363 nan 8.370 nan 0.000 0.449 96 A N -0.443 122.374 122.820 -0.006 0.000 2.125 96 A HA -0.016 4.305 4.320 0.001 0.000 0.219 96 A C 1.941 179.545 177.584 0.032 0.000 1.156 96 A CA 0.875 52.944 52.037 0.052 0.000 0.671 96 A CB -0.478 18.620 19.000 0.163 0.000 0.794 96 A HN 0.443 nan 8.150 nan 0.000 0.459 97 L N -1.632 119.561 121.223 -0.050 0.000 2.728 97 L HA 0.213 4.554 4.340 0.001 0.000 0.238 97 L C 2.136 179.041 176.870 0.058 0.000 1.143 97 L CA 0.288 55.108 54.840 -0.035 0.000 0.937 97 L CB -0.163 41.616 42.059 -0.468 0.000 1.225 97 L HN 0.342 nan 8.230 nan 0.000 0.507 98 G N 0.002 108.803 108.800 0.001 0.000 2.498 98 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 98 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 98 G C 1.533 176.410 174.900 -0.038 0.000 1.119 98 G CA 0.776 45.868 45.100 -0.014 0.000 0.766 98 G HN 0.353 nan 8.290 nan 0.000 0.552 99 S N -0.532 115.086 115.700 -0.136 0.000 2.481 99 S HA 0.108 4.578 4.470 0.001 0.000 0.231 99 S C 0.346 174.717 174.600 -0.381 0.000 0.996 99 S CA 0.248 58.246 58.200 -0.336 0.000 0.942 99 S CB -0.140 62.722 63.200 -0.563 0.000 0.768 99 S HN 0.449 nan 8.310 nan 0.000 0.520 100 Y N 1.356 121.709 120.300 0.087 0.000 2.376 100 Y HA 0.480 5.031 4.550 0.001 0.000 0.325 100 Y C 0.864 176.823 175.900 0.098 0.000 1.199 100 Y CA -0.944 57.228 58.100 0.121 0.000 1.206 100 Y CB 0.693 39.296 38.460 0.239 0.000 1.229 100 Y HN -0.168 nan 8.280 nan 0.000 0.480 101 R N 0.931 121.570 120.500 0.230 0.000 2.474 101 R HA 0.495 4.835 4.340 0.001 0.000 0.295 101 R C 0.609 176.996 176.300 0.146 0.000 0.980 101 R CA 0.063 56.247 56.100 0.140 0.000 0.934 101 R CB 1.316 31.671 30.300 0.091 0.000 1.101 101 R HN 0.972 nan 8.270 nan 0.000 0.469 102 G N 2.445 111.313 108.800 0.114 0.000 2.596 102 G HA2 -0.442 3.519 3.960 0.001 0.000 0.295 102 G HA3 -0.442 3.519 3.960 0.001 0.000 0.295 102 G C -0.291 174.689 174.900 0.132 0.000 1.240 102 G CA 0.444 45.609 45.100 0.108 0.000 0.985 102 G HN 0.885 nan 8.290 nan 0.000 0.555 103 N N -0.447 118.321 118.700 0.114 0.000 2.714 103 N HA -0.193 4.547 4.740 0.001 0.000 0.252 103 N C 1.316 176.909 175.510 0.139 0.000 1.014 103 N CA 1.237 54.358 53.050 0.119 0.000 0.735 103 N CB -0.360 38.203 38.487 0.126 0.000 0.924 103 N HN 0.687 nan 8.380 nan 0.000 0.540 104 R N -0.004 120.557 120.500 0.102 0.000 2.092 104 R HA -0.003 4.338 4.340 0.001 0.000 0.231 104 R C 1.720 178.059 176.300 0.066 0.000 1.119 104 R CA 1.503 57.651 56.100 0.081 0.000 0.970 104 R CB -0.140 30.198 30.300 0.063 0.000 0.864 104 R HN 0.508 nan 8.270 nan 0.000 0.440 105 M N 0.115 119.753 119.600 0.062 0.000 2.175 105 M HA -0.058 4.423 4.480 0.001 0.000 0.264 105 M C 2.541 178.873 176.300 0.053 0.000 1.063 105 M CA 1.553 56.877 55.300 0.039 0.000 1.119 105 M CB -0.346 32.275 32.600 0.035 0.000 1.377 105 M HN 0.168 nan 8.290 nan 0.000 0.415 106 A N 0.841 123.718 122.820 0.095 0.000 1.877 106 A HA -0.156 4.165 4.320 0.001 0.000 0.216 106 A C 2.190 179.927 177.584 0.255 0.000 1.186 106 A CA 1.572 53.699 52.037 0.150 0.000 0.620 106 A CB -0.647 18.429 19.000 0.127 0.000 0.822 106 A HN 0.406 nan 8.150 nan 0.000 0.443 107 R N -0.597 120.063 120.500 0.266 0.000 2.091 107 R HA -0.146 4.194 4.340 0.001 0.000 0.238 107 R C 2.418 178.709 176.300 -0.014 0.000 1.136 107 R CA 1.304 57.433 56.100 0.047 0.000 0.959 107 R CB -0.487 29.800 30.300 -0.022 0.000 0.856 107 R HN 0.528 nan 8.270 nan 0.000 0.437 108 A N 0.762 123.585 122.820 0.004 0.000 1.972 108 A HA -0.161 4.160 4.320 0.001 0.000 0.219 108 A C 2.121 179.673 177.584 -0.053 0.000 1.169 108 A CA 1.228 53.242 52.037 -0.039 0.000 0.635 108 A CB -0.383 18.578 19.000 -0.065 0.000 0.810 108 A HN 0.214 nan 8.150 nan 0.000 0.446 109 M N -0.746 118.842 119.600 -0.021 0.000 2.080 109 M HA -0.166 4.315 4.480 0.001 0.000 0.260 109 M C 2.111 178.402 176.300 -0.016 0.000 1.068 109 M CA 1.715 57.000 55.300 -0.025 0.000 1.109 109 M CB -0.502 32.105 32.600 0.011 0.000 1.342 109 M HN 0.288 nan 8.290 nan 0.000 0.405 110 V N -0.124 119.789 119.914 -0.002 0.000 2.270 110 V HA -0.229 3.892 4.120 0.001 0.000 0.245 110 V C 2.390 178.457 176.094 -0.045 0.000 1.043 110 V CA 1.879 64.160 62.300 -0.032 0.000 1.014 110 V CB -0.863 30.910 31.823 -0.083 0.000 0.645 110 V HN 0.487 nan 8.190 nan 0.000 0.447 111 E N 0.103 120.278 120.200 -0.043 0.000 2.077 111 E HA -0.225 4.126 4.350 0.001 0.000 0.193 111 E C 2.186 178.889 176.600 0.171 0.000 0.989 111 E CA 1.802 58.212 56.400 0.018 0.000 0.800 111 E CB -0.125 29.600 29.700 0.042 0.000 0.746 111 E HN 0.592 nan 8.360 nan 0.000 0.452 112 M N -0.110 119.563 119.600 0.120 0.000 2.156 112 M HA -0.064 4.417 4.480 0.001 0.000 0.264 112 M C 2.497 178.945 176.300 0.246 0.000 1.067 112 M CA 1.291 56.705 55.300 0.189 0.000 1.131 112 M CB -0.253 32.200 32.600 -0.244 0.000 1.368 112 M HN 0.077 nan 8.290 nan 0.000 0.416 113 A N 0.897 123.773 122.820 0.094 0.000 1.917 113 A HA -0.149 4.171 4.320 0.001 0.000 0.219 113 A C 2.418 180.046 177.584 0.073 0.000 1.182 113 A CA 2.195 54.286 52.037 0.090 0.000 0.633 113 A CB -1.063 17.951 19.000 0.022 0.000 0.819 113 A HN 0.502 nan 8.150 nan 0.000 0.448 114 A N -1.621 121.218 122.820 0.032 0.000 1.908 114 A HA -0.187 4.134 4.320 0.001 0.000 0.218 114 A C 1.988 179.531 177.584 -0.069 0.000 1.181 114 A CA 1.462 53.461 52.037 -0.062 0.000 0.627 114 A CB -0.939 17.982 19.000 -0.132 0.000 0.818 114 A HN 0.754 nan 8.150 nan 0.000 0.445 115 W N -0.114 121.236 121.300 0.084 0.000 2.335 115 W HA -0.169 4.491 4.660 0.000 0.000 0.311 115 W C 2.103 178.654 176.519 0.053 0.000 1.213 115 W CA 1.482 58.906 57.345 0.131 0.000 1.274 115 W CB -0.244 29.326 29.460 0.183 0.000 1.148 115 W HN 0.456 nan 8.180 nan 0.000 0.498 116 D N -0.109 120.458 120.400 0.279 0.000 2.097 116 D HA -0.197 4.444 4.640 0.001 0.000 0.195 116 D C 2.030 178.319 176.300 -0.017 0.000 0.989 116 D CA 1.355 55.406 54.000 0.085 0.000 0.827 116 D CB -0.473 40.388 40.800 0.102 0.000 0.966 116 D HN -0.027 nan 8.370 nan 0.000 0.456 117 L N 0.584 121.778 121.223 -0.049 0.000 1.989 117 L HA -0.094 4.247 4.340 0.001 0.000 0.211 117 L C 2.207 178.949 176.870 -0.214 0.000 1.071 117 L CA 1.913 56.667 54.840 -0.142 0.000 0.749 117 L CB -1.100 40.848 42.059 -0.185 0.000 0.890 117 L HN 0.404 nan 8.230 nan 0.000 0.431 118 W N 0.403 121.362 121.300 -0.568 0.000 2.317 118 W HA -0.339 4.322 4.660 0.002 0.000 0.318 118 W C 2.181 178.550 176.519 -0.251 0.000 1.227 118 W CA 1.953 58.936 57.345 -0.605 0.000 1.269 118 W CB -0.335 28.743 29.460 -0.636 0.000 1.155 118 W HN 0.359 nan 8.180 nan 0.000 0.484 119 A N 1.281 123.922 122.820 -0.299 0.000 1.917 119 A HA -0.265 4.056 4.320 0.001 0.000 0.219 119 A C 1.983 179.389 177.584 -0.297 0.000 1.182 119 A CA 2.241 54.071 52.037 -0.344 0.000 0.633 119 A CB -0.999 17.922 19.000 -0.131 0.000 0.819 119 A HN 0.488 nan 8.150 nan 0.000 0.448 120 R N -0.785 119.591 120.500 -0.207 0.000 2.148 120 R HA -0.064 4.277 4.340 0.001 0.000 0.223 120 R C 2.397 178.603 176.300 -0.156 0.000 1.088 120 R CA 1.539 57.545 56.100 -0.157 0.000 0.985 120 R CB -0.603 29.632 30.300 -0.108 0.000 0.880 120 R HN 0.783 nan 8.270 nan 0.000 0.451 121 T N -0.868 113.574 114.554 -0.188 0.000 2.881 121 T HA -0.065 4.286 4.350 0.001 0.000 0.270 121 T C 1.727 176.309 174.700 -0.198 0.000 1.068 121 T CA 0.983 63.000 62.100 -0.138 0.000 1.131 121 T CB -0.084 68.760 68.868 -0.040 0.000 0.871 121 T HN 0.163 nan 8.240 nan 0.000 0.479 122 L N 0.174 121.192 121.223 -0.342 0.000 2.529 122 L HA 0.383 4.724 4.340 0.001 0.000 0.223 122 L C 2.008 178.758 176.870 -0.201 0.000 1.113 122 L CA 0.340 54.987 54.840 -0.321 0.000 0.861 122 L CB -0.545 41.204 42.059 -0.517 0.000 1.012 122 L HN 0.560 nan 8.230 nan 0.000 0.461 123 G N 1.279 109.973 108.800 -0.176 0.000 2.221 123 G HA2 -0.231 3.730 3.960 0.001 0.000 0.265 123 G HA3 -0.231 3.730 3.960 0.001 0.000 0.265 123 G C -0.096 174.735 174.900 -0.115 0.000 1.041 123 G CA 0.204 45.231 45.100 -0.121 0.000 0.807 123 G HN 0.143 nan 8.290 nan 0.000 0.502 124 V N 0.311 120.137 119.914 -0.148 0.000 2.495 124 V HA 0.525 4.646 4.120 0.001 0.000 0.298 124 V C -1.829 174.201 176.094 -0.107 0.000 1.031 124 V CA -2.043 60.187 62.300 -0.118 0.000 0.871 124 V CB 2.207 33.946 31.823 -0.139 0.000 0.988 124 V HN 0.076 nan 8.190 nan 0.000 0.432 125 P HA 0.028 nan 4.420 nan 0.000 0.267 125 P C 0.654 177.910 177.300 -0.074 0.000 1.200 125 P CA -0.087 62.990 63.100 -0.038 0.000 0.772 125 P CB 0.649 32.388 31.700 0.066 0.000 0.855 126 L N 4.930 126.020 121.223 -0.222 0.000 2.046 126 L HA -0.194 4.147 4.340 0.001 0.000 0.208 126 L C 2.093 178.895 176.870 -0.113 0.000 1.077 126 L CA 1.966 56.666 54.840 -0.232 0.000 0.747 126 L CB -1.401 40.357 42.059 -0.502 0.000 0.896 126 L HN 0.551 nan 8.230 nan 0.000 0.432 127 C N -2.765 116.609 119.300 0.124 0.000 2.403 127 C HA -0.150 4.311 4.460 0.001 0.000 0.277 127 C C 2.479 177.454 174.990 -0.026 0.000 1.248 127 C CA 1.050 60.081 59.018 0.022 0.000 1.762 127 C CB -2.170 25.577 27.740 0.011 0.000 2.014 127 C HN 0.604 nan 8.230 nan 0.000 0.486 128 T N 1.995 116.554 114.554 0.008 0.000 2.746 128 T HA -0.047 4.304 4.350 0.001 0.000 0.267 128 T C 1.714 176.427 174.700 0.021 0.000 1.039 128 T CA 1.795 63.905 62.100 0.016 0.000 1.142 128 T CB -0.335 68.541 68.868 0.013 0.000 0.866 128 T HN 0.602 nan 8.240 nan 0.000 0.444 129 L N 0.335 121.571 121.223 0.022 0.000 2.291 129 L HA 0.132 4.473 4.340 0.001 0.000 0.214 129 L C 2.040 178.946 176.870 0.060 0.000 1.120 129 L CA 0.672 55.577 54.840 0.108 0.000 0.799 129 L CB -0.399 41.809 42.059 0.248 0.000 0.925 129 L HN 0.239 nan 8.230 nan 0.000 0.446 130 L N -0.623 120.534 121.223 -0.110 0.000 2.554 130 L HA 0.149 4.490 4.340 0.001 0.000 0.226 130 L C 1.465 178.284 176.870 -0.084 0.000 1.137 130 L CA 0.691 55.413 54.840 -0.197 0.000 0.863 130 L CB -0.278 41.565 42.059 -0.360 0.000 0.985 130 L HN 0.464 nan 8.230 nan 0.000 0.451 131 G N -0.427 108.360 108.800 -0.022 0.000 2.184 131 G HA2 -0.181 3.779 3.960 0.001 0.000 0.206 131 G HA3 -0.181 3.779 3.960 0.001 0.000 0.206 131 G C 0.475 175.398 174.900 0.039 0.000 0.995 131 G CA -0.364 44.754 45.100 0.030 0.000 0.651 131 G HN 0.473 nan 8.290 nan 0.000 0.511 132 G N -0.298 108.489 108.800 -0.022 0.000 2.476 132 G HA2 0.624 4.585 3.960 0.001 0.000 0.269 132 G HA3 0.624 4.585 3.960 0.001 0.000 0.269 132 G C -0.044 174.861 174.900 0.008 0.000 1.195 132 G CA 0.092 45.148 45.100 -0.073 0.000 0.843 132 G HN 1.334 nan 8.290 nan 0.000 0.545 133 H N -1.680 117.382 119.070 -0.013 0.000 2.901 133 H HA 0.444 5.000 4.556 0.001 0.000 0.227 133 H C -0.190 175.128 175.328 -0.016 0.000 1.390 133 H CA -0.723 55.317 56.048 -0.013 0.000 1.120 133 H CB 0.081 29.843 29.762 -0.001 0.000 2.131 133 H HN 0.261 nan 8.280 nan 0.000 0.549 134 K N 0.582 120.921 120.400 -0.101 0.000 2.156 134 K HA 0.265 4.586 4.320 0.001 0.000 0.254 134 K C -0.020 176.542 176.600 -0.063 0.000 0.950 134 K CA -0.701 55.540 56.287 -0.076 0.000 0.849 134 K CB 2.209 34.646 32.500 -0.105 0.000 1.100 134 K HN 0.392 nan 8.250 nan 0.000 0.434 135 E N 0.872 121.047 120.200 -0.043 0.000 2.415 135 E HA -0.002 4.348 4.350 0.001 0.000 0.197 135 E C -0.215 176.346 176.600 -0.066 0.000 1.007 135 E CA 0.425 56.794 56.400 -0.051 0.000 0.890 135 E CB 0.704 30.389 29.700 -0.025 0.000 0.891 135 E HN 0.357 nan 8.360 nan 0.000 0.496 136 Q N 0.124 119.888 119.800 -0.060 0.000 2.416 136 Q HA 0.418 4.759 4.340 0.001 0.000 0.281 136 Q C -1.495 174.473 176.000 -0.054 0.000 1.067 136 Q CA -0.848 54.922 55.803 -0.056 0.000 0.809 136 Q CB 3.286 32.002 28.738 -0.035 0.000 1.418 136 Q HN 0.025 nan 8.270 nan 0.000 0.411 137 V N -1.903 117.982 119.914 -0.049 0.000 2.769 137 V HA 0.592 4.713 4.120 0.001 0.000 0.312 137 V C -0.618 175.480 176.094 0.006 0.000 1.061 137 V CA -0.835 61.448 62.300 -0.029 0.000 0.931 137 V CB 1.901 33.688 31.823 -0.059 0.000 1.010 137 V HN 0.740 nan 8.190 nan 0.000 0.433 138 E N 1.955 122.175 120.200 0.033 0.000 2.354 138 E HA 0.535 4.886 4.350 0.001 0.000 0.269 138 E C -0.458 176.191 176.600 0.081 0.000 1.036 138 E CA -0.427 56.002 56.400 0.049 0.000 0.876 138 E CB 1.926 31.659 29.700 0.055 0.000 1.009 138 E HN 0.918 nan 8.360 nan 0.000 0.416 139 V N -0.377 119.595 119.914 0.098 0.000 2.769 139 V HA 0.869 4.990 4.120 0.001 0.000 0.312 139 V C 0.162 176.386 176.094 0.216 0.000 1.061 139 V CA -0.733 61.662 62.300 0.158 0.000 0.931 139 V CB 1.703 33.639 31.823 0.188 0.000 1.010 139 V HN 0.668 nan 8.190 nan 0.000 0.433 140 G N 0.849 109.726 108.800 0.129 0.000 2.597 140 G HA2 0.705 4.666 3.960 0.001 0.000 0.317 140 G HA3 0.705 4.666 3.960 0.001 0.000 0.317 140 G C -1.126 173.622 174.900 -0.254 0.000 1.230 140 G CA -0.681 44.414 45.100 -0.009 0.000 0.996 140 G HN 1.369 nan 8.290 nan 0.000 0.490 141 V N -0.749 118.841 119.914 -0.539 0.000 2.864 141 V HA 0.780 4.901 4.120 0.001 0.000 0.314 141 V C -0.547 175.288 176.094 -0.432 0.000 1.073 141 V CA -0.633 61.183 62.300 -0.807 0.000 0.956 141 V CB 2.345 33.223 31.823 -1.575 0.000 1.023 141 V HN 0.749 nan 8.190 nan 0.000 0.435 142 S N 6.245 121.749 115.700 -0.326 0.000 2.498 142 S HA 0.721 5.191 4.470 0.001 0.000 0.317 142 S C -0.975 173.541 174.600 -0.140 0.000 1.090 142 S CA -0.397 57.708 58.200 -0.159 0.000 1.089 142 S CB 1.238 64.411 63.200 -0.045 0.000 0.997 142 S HN 0.534 nan 8.310 nan 0.000 0.470 143 L N 2.931 124.107 121.223 -0.078 0.000 2.296 143 L HA 0.596 4.937 4.340 0.001 0.000 0.286 143 L C 1.080 177.967 176.870 0.029 0.000 1.023 143 L CA -0.021 54.812 54.840 -0.011 0.000 0.812 143 L CB 0.959 43.034 42.059 0.026 0.000 1.223 143 L HN 0.785 nan 8.230 nan 0.000 0.421 144 G N 3.106 111.929 108.800 0.038 0.000 2.653 144 G HA2 0.340 4.301 3.960 0.001 0.000 0.265 144 G HA3 0.340 4.301 3.960 0.001 0.000 0.265 144 G C 0.118 175.071 174.900 0.087 0.000 1.237 144 G CA -0.706 44.427 45.100 0.056 0.000 0.946 144 G HN 0.523 nan 8.290 nan 0.000 0.522 145 I N 1.276 121.903 120.570 0.096 0.000 2.587 145 I HA 0.032 4.202 4.170 0.001 0.000 0.284 145 I C 0.328 176.476 176.117 0.052 0.000 1.134 145 I CA -0.072 61.304 61.300 0.127 0.000 1.410 145 I CB 0.688 38.748 38.000 0.099 0.000 1.392 145 I HN 0.329 nan 8.210 nan 0.000 0.545 146 Q N 4.721 124.579 119.800 0.096 0.000 2.169 146 Q HA 0.395 4.735 4.340 0.001 0.000 0.234 146 Q C 0.899 176.819 176.000 -0.132 0.000 0.980 146 Q CA -0.476 55.340 55.803 0.022 0.000 0.941 146 Q CB 1.067 29.862 28.738 0.095 0.000 1.199 146 Q HN 0.751 nan 8.270 nan 0.000 0.496 147 A N 0.538 123.282 122.820 -0.127 0.000 1.930 147 A HA -0.113 4.208 4.320 0.001 0.000 0.217 147 A C 0.176 177.575 177.584 -0.307 0.000 1.175 147 A CA 2.179 54.085 52.037 -0.219 0.000 0.627 147 A CB -0.198 18.729 19.000 -0.122 0.000 0.815 147 A HN 0.812 nan 8.150 nan 0.000 0.443 148 D N -4.426 115.918 120.400 -0.094 0.000 2.768 148 D HA 0.295 4.935 4.640 0.001 0.000 0.327 148 D C 0.252 176.773 176.300 0.368 0.000 1.302 148 D CA -0.382 53.663 54.000 0.076 0.000 0.897 148 D CB -0.050 40.779 40.800 0.050 0.000 1.420 148 D HN -0.019 nan 8.370 nan 0.000 0.494 149 E N -1.064 119.377 120.200 0.402 0.000 2.051 149 E HA -0.232 4.119 4.350 0.001 0.000 0.192 149 E C 1.410 178.096 176.600 0.144 0.000 0.991 149 E CA 1.258 57.809 56.400 0.251 0.000 0.799 149 E CB 0.013 29.796 29.700 0.137 0.000 0.748 149 E HN 0.377 nan 8.360 nan 0.000 0.449 150 Q N 0.589 120.455 119.800 0.109 0.000 2.172 150 Q HA -0.026 4.315 4.340 0.001 0.000 0.200 150 Q C 1.789 177.831 176.000 0.069 0.000 0.964 150 Q CA 1.479 57.325 55.803 0.070 0.000 0.855 150 Q CB -0.202 28.564 28.738 0.046 0.000 0.918 150 Q HN 0.239 nan 8.270 nan 0.000 0.444 151 A N -0.898 121.967 122.820 0.076 0.000 1.930 151 A HA -0.125 4.195 4.320 0.001 0.000 0.217 151 A C 2.218 179.847 177.584 0.075 0.000 1.175 151 A CA 1.785 53.857 52.037 0.058 0.000 0.627 151 A CB -0.842 18.181 19.000 0.039 0.000 0.815 151 A HN 0.450 nan 8.150 nan 0.000 0.443 152 T N -0.199 114.429 114.554 0.123 0.000 2.652 152 T HA -0.139 4.211 4.350 0.001 0.000 0.267 152 T C 1.878 176.632 174.700 0.090 0.000 1.039 152 T CA 1.722 63.896 62.100 0.123 0.000 1.153 152 T CB -0.489 68.481 68.868 0.170 0.000 0.863 152 T HN 0.148 nan 8.240 nan 0.000 0.428 153 V N 1.700 121.674 119.914 0.100 0.000 2.343 153 V HA -0.188 3.933 4.120 0.001 0.000 0.247 153 V C 2.345 178.525 176.094 0.144 0.000 1.051 153 V CA 2.067 64.452 62.300 0.142 0.000 1.036 153 V CB -0.661 31.235 31.823 0.122 0.000 0.654 153 V HN 0.529 nan 8.190 nan 0.000 0.451 154 D N -0.451 119.998 120.400 0.081 0.000 2.117 154 D HA -0.185 4.456 4.640 0.001 0.000 0.197 154 D C 1.938 178.237 176.300 -0.000 0.000 0.987 154 D CA 1.012 55.041 54.000 0.049 0.000 0.829 154 D CB -0.066 40.748 40.800 0.023 0.000 0.961 154 D HN 0.265 nan 8.370 nan 0.000 0.460 155 L N -0.086 121.127 121.223 -0.016 0.000 2.093 155 L HA -0.036 4.305 4.340 0.001 0.000 0.208 155 L C 2.176 178.966 176.870 -0.133 0.000 1.085 155 L CA 1.136 55.917 54.840 -0.098 0.000 0.755 155 L CB -0.450 41.590 42.059 -0.033 0.000 0.904 155 L HN 0.039 nan 8.230 nan 0.000 0.435 156 V N -0.401 119.487 119.914 -0.044 0.000 2.343 156 V HA -0.278 3.843 4.120 0.001 0.000 0.247 156 V C 2.744 178.706 176.094 -0.220 0.000 1.051 156 V CA 1.935 64.162 62.300 -0.121 0.000 1.036 156 V CB -0.682 31.046 31.823 -0.158 0.000 0.654 156 V HN 0.464 nan 8.190 nan 0.000 0.451 157 R N -0.020 120.456 120.500 -0.040 0.000 2.081 157 R HA -0.197 4.143 4.340 0.001 0.000 0.235 157 R C 2.573 178.865 176.300 -0.014 0.000 1.131 157 R CA 1.860 58.022 56.100 0.103 0.000 0.960 157 R CB -0.311 30.148 30.300 0.265 0.000 0.856 157 R HN 0.450 nan 8.270 nan 0.000 0.436 158 R N -0.441 120.000 120.500 -0.099 0.000 2.080 158 R HA -0.203 4.138 4.340 0.001 0.000 0.236 158 R C 1.793 178.032 176.300 -0.101 0.000 1.137 158 R CA 2.326 58.334 56.100 -0.153 0.000 0.943 158 R CB -0.396 29.723 30.300 -0.300 0.000 0.846 158 R HN 0.495 nan 8.270 nan 0.000 0.431 159 H N -0.759 118.318 119.070 0.011 0.000 2.428 159 H HA -0.026 4.531 4.556 0.001 0.000 0.296 159 H C 2.152 177.537 175.328 0.095 0.000 1.062 159 H CA 1.081 57.194 56.048 0.108 0.000 1.350 159 H CB 0.234 30.013 29.762 0.028 0.000 1.403 159 H HN 0.000 nan 8.280 nan 0.000 0.533 160 V N 0.944 120.879 119.914 0.035 0.000 2.332 160 V HA -0.265 3.855 4.120 0.001 0.000 0.248 160 V C 2.310 178.413 176.094 0.017 0.000 1.055 160 V CA 2.147 64.422 62.300 -0.042 0.000 1.038 160 V CB -0.303 31.373 31.823 -0.244 0.000 0.651 160 V HN 0.398 nan 8.190 nan 0.000 0.450 161 E N 0.103 120.319 120.200 0.026 0.000 2.204 161 E HA -0.202 4.148 4.350 0.001 0.000 0.194 161 E C 2.153 178.755 176.600 0.004 0.000 0.989 161 E CA 1.121 57.535 56.400 0.023 0.000 0.824 161 E CB -0.196 29.518 29.700 0.024 0.000 0.756 161 E HN 0.682 nan 8.360 nan 0.000 0.477 162 Q N -1.235 118.575 119.800 0.016 0.000 2.472 162 Q HA 0.118 4.459 4.340 0.001 0.000 0.208 162 Q C 0.917 176.816 176.000 -0.169 0.000 0.958 162 Q CA 0.577 56.348 55.803 -0.053 0.000 0.932 162 Q CB 0.433 29.171 28.738 -0.001 0.000 1.007 162 Q HN 0.407 nan 8.270 nan 0.000 0.508 163 G N -0.118 108.621 108.800 -0.102 0.000 2.141 163 G HA2 -0.282 3.678 3.960 0.001 0.000 0.231 163 G HA3 -0.282 3.678 3.960 0.001 0.000 0.231 163 G C -0.344 174.477 174.900 -0.132 0.000 0.984 163 G CA -0.514 44.517 45.100 -0.114 0.000 0.660 163 G HN 0.309 nan 8.290 nan 0.000 0.525 164 Y N 0.319 120.606 120.300 -0.023 0.000 2.578 164 Y HA 0.296 4.847 4.550 0.001 0.000 0.339 164 Y C 2.004 177.873 175.900 -0.052 0.000 1.231 164 Y CA 0.048 58.123 58.100 -0.042 0.000 1.461 164 Y CB 0.535 38.956 38.460 -0.066 0.000 1.323 164 Y HN 0.024 nan 8.280 nan 0.000 0.590 165 R N 1.735 122.312 120.500 0.128 0.000 2.334 165 R HA 0.144 4.485 4.340 0.001 0.000 0.216 165 R C 0.198 176.500 176.300 0.002 0.000 0.905 165 R CA 0.209 56.336 56.100 0.044 0.000 1.064 165 R CB 0.113 30.435 30.300 0.036 0.000 1.046 165 R HN 0.507 nan 8.270 nan 0.000 0.508 166 R N 0.965 121.457 120.500 -0.012 0.000 2.604 166 R HA 0.266 4.606 4.340 0.001 0.000 0.270 166 R C -1.617 174.596 176.300 -0.146 0.000 1.052 166 R CA -0.530 55.506 56.100 -0.107 0.000 0.902 166 R CB 1.413 31.613 30.300 -0.167 0.000 1.233 166 R HN -0.153 nan 8.270 nan 0.000 0.455 167 I N 3.798 124.261 120.570 -0.179 0.000 2.362 167 I HA 0.374 4.545 4.170 0.001 0.000 0.289 167 I C 0.172 176.164 176.117 -0.210 0.000 0.994 167 I CA -0.584 60.599 61.300 -0.195 0.000 1.158 167 I CB 1.408 39.303 38.000 -0.175 0.000 1.315 167 I HN 0.468 nan 8.210 nan 0.000 0.451 168 K N 7.630 127.913 120.400 -0.196 0.000 2.235 168 K HA 0.598 4.918 4.320 0.001 0.000 0.266 168 K C -1.426 175.122 176.600 -0.088 0.000 0.980 168 K CA -0.554 55.642 56.287 -0.153 0.000 0.849 168 K CB 1.278 33.708 32.500 -0.117 0.000 1.098 168 K HN 0.550 nan 8.250 nan 0.000 0.445 169 L N 4.389 125.574 121.223 -0.063 0.000 2.282 169 L HA 0.376 4.717 4.340 0.001 0.000 0.288 169 L C 0.135 177.028 176.870 0.037 0.000 1.033 169 L CA -0.862 53.970 54.840 -0.012 0.000 0.807 169 L CB 1.397 43.438 42.059 -0.031 0.000 1.209 169 L HN 0.600 nan 8.230 nan 0.000 0.423 170 K N 4.475 124.919 120.400 0.074 0.000 2.401 170 K HA 0.418 4.739 4.320 0.001 0.000 0.278 170 K C -0.555 176.136 176.600 0.153 0.000 1.018 170 K CA -0.054 56.304 56.287 0.118 0.000 0.981 170 K CB 0.580 33.152 32.500 0.119 0.000 0.933 170 K HN 0.587 nan 8.250 nan 0.000 0.477 171 I N 0.017 120.691 120.570 0.175 0.000 3.145 171 I HA 0.620 4.791 4.170 0.001 0.000 0.313 171 I C -1.431 174.844 176.117 0.264 0.000 1.122 171 I CA -1.085 60.341 61.300 0.210 0.000 0.987 171 I CB 2.269 40.357 38.000 0.146 0.000 1.236 171 I HN 0.673 nan 8.210 nan 0.000 0.453 172 K N 1.322 121.890 120.400 0.280 0.000 2.579 172 K HA 0.619 4.940 4.320 0.001 0.000 0.284 172 K C -3.278 173.385 176.600 0.105 0.000 0.990 172 K CA -1.779 54.589 56.287 0.135 0.000 0.880 172 K CB 1.521 34.074 32.500 0.089 0.000 1.488 172 K HN 0.247 nan 8.250 nan 0.000 0.425 173 P HA -0.000 nan 4.420 nan 0.000 0.262 173 P C 0.584 177.938 177.300 0.090 0.000 1.182 173 P CA 1.801 64.859 63.100 -0.070 0.000 0.761 173 P CB 0.523 32.091 31.700 -0.219 0.000 0.795 174 G N 1.606 110.501 108.800 0.158 0.000 2.241 174 G HA2 -0.215 3.746 3.960 0.001 0.000 0.244 174 G HA3 -0.215 3.746 3.960 0.001 0.000 0.244 174 G C -0.331 174.773 174.900 0.341 0.000 0.998 174 G CA -0.236 44.980 45.100 0.192 0.000 0.621 174 G HN 0.600 nan 8.290 nan 0.000 0.519 175 W N 1.873 123.211 121.300 0.062 0.000 2.330 175 W HA 0.464 5.124 4.660 0.001 0.000 0.286 175 W C -0.070 176.499 176.519 0.084 0.000 1.019 175 W CA 0.290 57.668 57.345 0.056 0.000 1.485 175 W CB 0.658 30.140 29.460 0.036 0.000 1.457 175 W HN 0.341 nan 8.180 nan 0.000 0.359 176 D N -0.383 119.898 120.400 -0.199 0.000 2.769 176 D HA -0.028 4.612 4.640 0.001 0.000 0.155 176 D C 1.488 177.639 176.300 -0.249 0.000 1.479 176 D CA 0.240 54.151 54.000 -0.149 0.000 1.511 176 D CB 0.242 41.085 40.800 0.071 0.000 1.634 176 D HN -0.072 nan 8.370 nan 0.000 0.282 177 V N 0.996 120.814 119.914 -0.161 0.000 2.392 177 V HA -0.278 3.842 4.120 0.001 0.000 0.249 177 V C 2.372 178.280 176.094 -0.311 0.000 1.059 177 V CA 2.420 64.630 62.300 -0.150 0.000 1.051 177 V CB -0.917 30.891 31.823 -0.025 0.000 0.658 177 V HN 0.169 nan 8.190 nan 0.000 0.455 178 Q N 0.355 119.896 119.800 -0.431 0.000 1.993 178 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 178 Q C 0.098 175.730 176.000 -0.614 0.000 0.984 178 Q CA 2.177 57.666 55.803 -0.524 0.000 0.837 178 Q CB -1.746 26.641 28.738 -0.586 0.000 0.902 178 Q HN 0.546 nan 8.270 nan 0.000 0.423 179 P HA -0.101 nan 4.420 nan 0.000 0.218 179 P C 1.183 178.276 177.300 -0.345 0.000 1.149 179 P CA 1.093 63.876 63.100 -0.528 0.000 0.817 179 P CB 0.081 31.452 31.700 -0.548 0.000 0.785 180 V N 0.977 120.660 119.914 -0.385 0.000 2.307 180 V HA -0.187 3.934 4.120 0.001 0.000 0.245 180 V C 3.049 178.800 176.094 -0.572 0.000 1.045 180 V CA 1.903 63.989 62.300 -0.358 0.000 1.024 180 V CB -1.144 30.515 31.823 -0.274 0.000 0.651 180 V HN 0.067 nan 8.190 nan 0.000 0.449 181 R N 0.543 120.570 120.500 -0.790 0.000 2.094 181 R HA -0.220 4.121 4.340 0.001 0.000 0.239 181 R C 2.277 178.313 176.300 -0.439 0.000 1.137 181 R CA 2.070 57.592 56.100 -0.963 0.000 0.943 181 R CB -0.567 29.375 30.300 -0.596 0.000 0.850 181 R HN 0.458 nan 8.270 nan 0.000 0.433 182 A N -0.065 122.585 122.820 -0.284 0.000 1.902 182 A HA -0.135 4.186 4.320 0.001 0.000 0.217 182 A C 2.222 179.759 177.584 -0.078 0.000 1.181 182 A CA 2.050 54.004 52.037 -0.139 0.000 0.623 182 A CB -0.892 18.054 19.000 -0.090 0.000 0.818 182 A HN 0.529 nan 8.150 nan 0.000 0.443 183 T N -0.708 113.798 114.554 -0.079 0.000 2.737 183 T HA -0.127 4.224 4.350 0.001 0.000 0.265 183 T C 2.140 176.896 174.700 0.094 0.000 1.038 183 T CA 1.692 63.824 62.100 0.053 0.000 1.144 183 T CB -0.221 68.645 68.868 -0.002 0.000 0.866 183 T HN 0.465 nan 8.240 nan 0.000 0.434 184 R N 1.481 121.959 120.500 -0.037 0.000 2.096 184 R HA -0.015 4.326 4.340 0.001 0.000 0.235 184 R C 2.153 178.471 176.300 0.031 0.000 1.127 184 R CA 1.510 57.625 56.100 0.025 0.000 0.968 184 R CB -0.477 29.844 30.300 0.036 0.000 0.861 184 R HN 0.511 nan 8.270 nan 0.000 0.440 185 E N -0.629 119.555 120.200 -0.026 0.000 2.077 185 E HA -0.150 4.200 4.350 0.001 0.000 0.193 185 E C 1.818 178.363 176.600 -0.091 0.000 0.989 185 E CA 1.318 57.698 56.400 -0.032 0.000 0.800 185 E CB -0.163 29.512 29.700 -0.042 0.000 0.746 185 E HN 0.468 nan 8.360 nan 0.000 0.452 186 A N 0.436 123.175 122.820 -0.135 0.000 1.968 186 A HA -0.036 4.284 4.320 0.001 0.000 0.217 186 A C 0.679 177.839 177.584 -0.706 0.000 1.169 186 A CA 0.766 52.556 52.037 -0.410 0.000 0.638 186 A CB 0.033 18.782 19.000 -0.418 0.000 0.812 186 A HN 0.158 nan 8.150 nan 0.000 0.446 187 F N -1.315 118.622 119.950 -0.021 0.000 2.660 187 F HA 0.356 4.884 4.527 0.001 0.000 0.352 187 F C -2.106 173.689 175.800 -0.009 0.000 1.257 187 F CA -1.842 56.150 58.000 -0.014 0.000 1.200 187 F CB 1.487 40.477 39.000 -0.017 0.000 1.473 187 F HN -0.006 nan 8.300 nan 0.000 0.561 188 P HA -0.139 nan 4.420 nan 0.000 0.219 188 P C 0.594 177.938 177.300 0.073 0.000 1.146 188 P CA 1.567 64.707 63.100 0.068 0.000 0.808 188 P CB 0.345 32.064 31.700 0.032 0.000 0.779 189 D N -1.704 118.750 120.400 0.089 0.000 2.500 189 D HA 0.120 4.761 4.640 0.001 0.000 0.217 189 D C 1.069 177.400 176.300 0.052 0.000 1.159 189 D CA -0.086 53.950 54.000 0.061 0.000 0.828 189 D CB 0.567 41.398 40.800 0.051 0.000 1.039 189 D HN 0.253 nan 8.370 nan 0.000 0.512 190 I N -0.735 119.877 120.570 0.069 0.000 3.060 190 I HA 0.172 4.342 4.170 0.001 0.000 0.285 190 I C 0.545 176.647 176.117 -0.024 0.000 1.190 190 I CA -0.584 60.723 61.300 0.013 0.000 1.363 190 I CB 0.820 38.798 38.000 -0.036 0.000 1.396 190 I HN -0.342 nan 8.210 nan 0.000 0.607 191 R N 4.090 124.557 120.500 -0.054 0.000 2.242 191 R HA 0.444 4.785 4.340 0.001 0.000 0.334 191 R C -1.387 174.828 176.300 -0.141 0.000 1.071 191 R CA -0.533 55.514 56.100 -0.090 0.000 0.922 191 R CB 0.558 30.805 30.300 -0.089 0.000 1.023 191 R HN 0.682 nan 8.270 nan 0.000 0.458 192 L N 4.397 125.526 121.223 -0.157 0.000 2.365 192 L HA 0.548 4.889 4.340 0.001 0.000 0.273 192 L C -0.852 175.846 176.870 -0.286 0.000 1.000 192 L CA -0.034 54.694 54.840 -0.186 0.000 0.819 192 L CB 2.233 44.224 42.059 -0.113 0.000 1.284 192 L HN 0.844 nan 8.230 nan 0.000 0.418 193 T N 1.816 116.161 114.554 -0.348 0.000 2.883 193 T HA 0.843 5.193 4.350 0.001 0.000 0.296 193 T C -0.609 173.937 174.700 -0.257 0.000 1.117 193 T CA -0.340 61.462 62.100 -0.496 0.000 1.006 193 T CB 1.535 69.839 68.868 -0.940 0.000 1.191 193 T HN 0.854 nan 8.240 nan 0.000 0.508 194 V N -1.385 118.432 119.914 -0.161 0.000 3.001 194 V HA 0.828 4.949 4.120 0.001 0.000 0.314 194 V C -1.472 174.680 176.094 0.096 0.000 1.099 194 V CA -0.922 61.363 62.300 -0.025 0.000 0.989 194 V CB 1.960 33.774 31.823 -0.015 0.000 1.040 194 V HN 1.021 nan 8.190 nan 0.000 0.434 195 D N 2.140 122.617 120.400 0.128 0.000 2.414 195 D HA 0.698 5.338 4.640 0.001 0.000 0.232 195 D C 0.539 176.959 176.300 0.200 0.000 1.070 195 D CA 0.099 54.215 54.000 0.193 0.000 0.839 195 D CB 1.783 42.695 40.800 0.187 0.000 1.079 195 D HN 0.899 nan 8.370 nan 0.000 0.521 196 A N 4.074 127.032 122.820 0.229 0.000 2.238 196 A HA 0.074 4.395 4.320 0.001 0.000 0.210 196 A C 1.119 178.895 177.584 0.321 0.000 1.179 196 A CA 0.188 52.412 52.037 0.311 0.000 0.827 196 A CB -0.621 18.531 19.000 0.255 0.000 0.856 196 A HN 0.857 nan 8.150 nan 0.000 0.488 197 N N -0.040 118.808 118.700 0.247 0.000 2.727 197 N HA -0.226 4.514 4.740 0.001 0.000 0.249 197 N C -0.131 175.495 175.510 0.194 0.000 1.048 197 N CA 0.482 53.654 53.050 0.203 0.000 0.714 197 N CB -1.099 37.488 38.487 0.166 0.000 0.959 197 N HN 0.348 nan 8.380 nan 0.000 0.544 198 S N -2.609 113.233 115.700 0.236 0.000 3.462 198 S HA -0.253 4.218 4.470 0.001 0.000 0.370 198 S C 0.962 175.660 174.600 0.163 0.000 1.028 198 S CA 0.878 59.213 58.200 0.226 0.000 1.119 198 S CB -1.377 61.960 63.200 0.229 0.000 0.906 198 S HN 0.810 nan 8.310 nan 0.000 0.471 199 A N -1.429 121.480 122.820 0.149 0.000 2.308 199 A HA 0.518 4.838 4.320 0.001 0.000 0.217 199 A C 0.276 177.712 177.584 -0.246 0.000 1.216 199 A CA 0.269 52.263 52.037 -0.071 0.000 0.864 199 A CB 0.202 19.092 19.000 -0.183 0.000 0.902 199 A HN 0.537 nan 8.150 nan 0.000 0.499 200 Y N -0.756 119.574 120.300 0.051 0.000 2.650 200 Y HA 0.584 5.135 4.550 0.001 0.000 0.331 200 Y C 0.900 176.801 175.900 0.002 0.000 1.082 200 Y CA -0.111 58.005 58.100 0.028 0.000 1.171 200 Y CB 1.558 40.034 38.460 0.027 0.000 1.326 200 Y HN 0.121 nan 8.280 nan 0.000 0.513 201 T N -2.920 111.740 114.554 0.178 0.000 2.831 201 T HA 0.394 4.745 4.350 0.001 0.000 0.287 201 T C 0.392 175.126 174.700 0.056 0.000 1.070 201 T CA -0.850 61.293 62.100 0.072 0.000 1.010 201 T CB 0.713 69.607 68.868 0.043 0.000 1.264 201 T HN 0.561 nan 8.240 nan 0.000 0.532 202 L N 0.617 121.846 121.223 0.010 0.000 2.191 202 L HA 0.063 4.404 4.340 0.001 0.000 0.212 202 L C 3.078 179.958 176.870 0.017 0.000 1.103 202 L CA 1.359 56.198 54.840 -0.001 0.000 0.769 202 L CB -0.788 41.260 42.059 -0.018 0.000 0.908 202 L HN 0.947 nan 8.230 nan 0.000 0.438 203 A N -0.546 122.291 122.820 0.029 0.000 2.131 203 A HA -0.203 4.118 4.320 0.001 0.000 0.220 203 A C 1.654 179.271 177.584 0.054 0.000 1.158 203 A CA 1.625 53.683 52.037 0.035 0.000 0.665 203 A CB -0.354 18.667 19.000 0.034 0.000 0.795 203 A HN 0.369 nan 8.150 nan 0.000 0.460 204 D N -0.325 120.126 120.400 0.084 0.000 2.340 204 D HA 0.245 4.885 4.640 0.001 0.000 0.220 204 D C 1.915 178.242 176.300 0.045 0.000 1.039 204 D CA 0.779 54.852 54.000 0.120 0.000 0.866 204 D CB 0.032 41.013 40.800 0.302 0.000 0.913 204 D HN 0.439 nan 8.370 nan 0.000 0.523 205 A N 1.039 123.869 122.820 0.017 0.000 1.917 205 A HA -0.119 4.201 4.320 0.001 0.000 0.219 205 A C 2.341 179.918 177.584 -0.012 0.000 1.182 205 A CA 2.027 54.057 52.037 -0.011 0.000 0.633 205 A CB -0.950 18.044 19.000 -0.010 0.000 0.819 205 A HN 0.316 nan 8.150 nan 0.000 0.448 206 G N -0.862 107.940 108.800 0.004 0.000 2.408 206 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 206 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 206 G C 1.680 176.582 174.900 0.004 0.000 1.150 206 G CA 1.140 46.242 45.100 0.003 0.000 0.776 206 G HN 0.521 nan 8.290 nan 0.000 0.542 207 R N 0.412 120.923 120.500 0.018 0.000 2.081 207 R HA 0.126 4.466 4.340 0.001 0.000 0.235 207 R C 2.480 178.771 176.300 -0.015 0.000 1.131 207 R CA 1.090 57.205 56.100 0.025 0.000 0.960 207 R CB -0.775 29.570 30.300 0.075 0.000 0.856 207 R HN 0.385 nan 8.270 nan 0.000 0.436 208 L N -0.178 121.007 121.223 -0.063 0.000 2.141 208 L HA -0.018 4.323 4.340 0.001 0.000 0.209 208 L C 2.668 179.501 176.870 -0.063 0.000 1.094 208 L CA 1.292 56.060 54.840 -0.119 0.000 0.763 208 L CB -0.398 41.545 42.059 -0.194 0.000 0.908 208 L HN 0.226 nan 8.230 nan 0.000 0.437 209 R N 0.339 120.813 120.500 -0.042 0.000 2.120 209 R HA -0.188 4.153 4.340 0.001 0.000 0.234 209 R C 2.187 178.466 176.300 -0.035 0.000 1.123 209 R CA 1.254 57.334 56.100 -0.035 0.000 0.975 209 R CB -0.049 30.234 30.300 -0.028 0.000 0.866 209 R HN 0.447 nan 8.270 nan 0.000 0.446 210 Q N 0.084 119.873 119.800 -0.019 0.000 2.368 210 Q HA -0.143 4.198 4.340 0.001 0.000 0.210 210 Q C 1.873 177.891 176.000 0.029 0.000 0.982 210 Q CA 1.002 56.802 55.803 -0.004 0.000 0.884 210 Q CB 0.001 28.756 28.738 0.028 0.000 0.933 210 Q HN 0.430 nan 8.270 nan 0.000 0.460 211 L N 0.247 121.493 121.223 0.038 0.000 2.313 211 L HA -0.132 4.209 4.340 0.001 0.000 0.214 211 L C 1.394 178.281 176.870 0.028 0.000 1.119 211 L CA 0.366 55.272 54.840 0.110 0.000 0.809 211 L CB -0.255 41.826 42.059 0.038 0.000 0.933 211 L HN 0.130 nan 8.230 nan 0.000 0.449 212 D N 0.894 121.262 120.400 -0.053 0.000 2.133 212 D HA -0.242 4.398 4.640 0.001 0.000 0.195 212 D C 1.961 178.170 176.300 -0.151 0.000 0.997 212 D CA 1.628 55.582 54.000 -0.078 0.000 0.840 212 D CB -0.065 40.692 40.800 -0.072 0.000 0.947 212 D HN 0.577 nan 8.370 nan 0.000 0.452 213 E N -0.396 119.616 120.200 -0.313 0.000 2.409 213 E HA -0.179 4.171 4.350 0.001 0.000 0.198 213 E C 1.000 177.308 176.600 -0.486 0.000 1.024 213 E CA 0.700 56.839 56.400 -0.435 0.000 0.861 213 E CB -0.486 28.869 29.700 -0.576 0.000 0.788 213 E HN 0.448 nan 8.360 nan 0.000 0.521 214 Y N 1.384 121.661 120.300 -0.038 0.000 2.461 214 Y HA 0.089 4.640 4.550 0.001 0.000 0.277 214 Y C -0.168 175.707 175.900 -0.042 0.000 1.182 214 Y CA -0.228 57.848 58.100 -0.040 0.000 1.276 214 Y CB 0.225 38.655 38.460 -0.051 0.000 1.087 214 Y HN -0.095 nan 8.280 nan 0.000 0.519 215 D N 0.954 121.373 120.400 0.032 0.000 2.697 215 D HA -0.207 4.433 4.640 0.001 0.000 0.235 215 D C -0.432 175.868 176.300 0.000 0.000 1.167 215 D CA 0.661 54.666 54.000 0.009 0.000 0.656 215 D CB -1.232 39.572 40.800 0.007 0.000 1.025 215 D HN 0.380 nan 8.370 nan 0.000 0.419 216 L N 0.048 121.266 121.223 -0.009 0.000 2.426 216 L HA 0.061 4.402 4.340 0.001 0.000 0.271 216 L C 2.197 179.013 176.870 -0.089 0.000 1.169 216 L CA -0.119 54.679 54.840 -0.069 0.000 0.836 216 L CB 0.516 42.531 42.059 -0.073 0.000 1.112 216 L HN -0.038 nan 8.230 nan 0.000 0.465 217 T N 0.882 115.326 114.554 -0.183 0.000 2.821 217 T HA -0.063 4.287 4.350 0.001 0.000 0.267 217 T C -0.471 174.218 174.700 -0.017 0.000 1.046 217 T CA 1.423 63.441 62.100 -0.137 0.000 1.139 217 T CB -0.144 68.592 68.868 -0.220 0.000 0.871 217 T HN 0.612 nan 8.240 nan 0.000 0.454 218 Y N -2.065 118.227 120.300 -0.012 0.000 2.732 218 Y HA 0.595 5.145 4.550 0.001 0.000 0.342 218 Y C -1.953 173.961 175.900 0.022 0.000 1.203 218 Y CA -2.223 55.888 58.100 0.019 0.000 1.092 218 Y CB 0.442 38.937 38.460 0.059 0.000 1.345 218 Y HN -0.141 nan 8.280 nan 0.000 0.458 219 I N 2.116 122.846 120.570 0.265 0.000 2.378 219 I HA 0.319 4.490 4.170 0.001 0.000 0.291 219 I C -0.417 175.879 176.117 0.298 0.000 0.992 219 I CA -0.673 60.748 61.300 0.201 0.000 1.154 219 I CB 1.806 39.855 38.000 0.081 0.000 1.315 219 I HN 0.671 nan 8.210 nan 0.000 0.448 220 E N 5.747 126.146 120.200 0.332 0.000 2.229 220 E HA 0.102 4.453 4.350 0.001 0.000 0.283 220 E C -0.259 176.475 176.600 0.224 0.000 1.030 220 E CA -0.615 55.963 56.400 0.297 0.000 0.836 220 E CB 0.734 30.666 29.700 0.386 0.000 1.068 220 E HN 0.474 nan 8.360 nan 0.000 0.401 221 Q N 3.809 123.704 119.800 0.159 0.000 2.413 221 Q HA -0.174 4.166 4.340 0.001 0.000 0.364 221 Q C -1.948 174.257 176.000 0.341 0.000 1.359 221 Q CA 0.538 56.454 55.803 0.188 0.000 1.097 221 Q CB -0.123 28.691 28.738 0.126 0.000 1.286 221 Q HN 0.490 nan 8.270 nan 0.000 0.358 222 P HA -0.130 nan 4.420 nan 0.000 0.219 222 P C 0.299 177.765 177.300 0.276 0.000 1.150 222 P CA 1.110 64.389 63.100 0.297 0.000 0.814 222 P CB 0.295 32.061 31.700 0.111 0.000 0.787 223 L N -1.175 120.142 121.223 0.156 0.000 2.902 223 L HA 0.582 4.923 4.340 0.001 0.000 0.229 223 L C 0.933 177.899 176.870 0.159 0.000 1.324 223 L CA -1.518 53.296 54.840 -0.044 0.000 1.230 223 L CB -0.578 41.164 42.059 -0.527 0.000 2.134 223 L HN -0.239 nan 8.230 nan 0.000 0.567 224 A N 0.306 123.172 122.820 0.077 0.000 2.531 224 A HA -0.044 4.277 4.320 0.001 0.000 0.236 224 A C 0.857 178.520 177.584 0.133 0.000 1.062 224 A CA -0.113 51.980 52.037 0.093 0.000 0.760 224 A CB -0.186 18.787 19.000 -0.044 0.000 0.995 224 A HN 0.871 nan 8.150 nan 0.000 0.501 225 W N 2.261 123.594 121.300 0.054 0.000 2.364 225 W HA -0.142 4.519 4.660 0.001 0.000 0.281 225 W C -0.115 176.386 176.519 -0.030 0.000 1.219 225 W CA 1.402 58.743 57.345 -0.007 0.000 1.220 225 W CB -0.471 28.942 29.460 -0.078 0.000 1.127 225 W HN 0.743 nan 8.180 nan 0.000 0.556 226 D N -0.170 119.686 120.400 -0.907 0.000 2.424 226 D HA 0.028 4.669 4.640 0.001 0.000 0.220 226 D C -0.254 175.793 176.300 -0.423 0.000 1.150 226 D CA -0.184 53.267 54.000 -0.915 0.000 0.831 226 D CB -0.689 39.137 40.800 -1.623 0.000 0.981 226 D HN 0.124 nan 8.370 nan 0.000 0.500 227 D N 0.567 120.844 120.400 -0.204 0.000 2.185 227 D HA 0.223 4.864 4.640 0.001 0.000 0.247 227 D C 0.456 176.782 176.300 0.044 0.000 1.027 227 D CA -0.568 53.398 54.000 -0.056 0.000 0.861 227 D CB 2.124 42.941 40.800 0.028 0.000 1.202 227 D HN 0.007 nan 8.370 nan 0.000 0.453 228 L N 2.592 123.821 121.223 0.010 0.000 2.624 228 L HA 0.055 4.396 4.340 0.001 0.000 0.222 228 L C 2.306 179.206 176.870 0.051 0.000 1.046 228 L CA -0.072 54.778 54.840 0.017 0.000 0.872 228 L CB 0.115 42.146 42.059 -0.048 0.000 1.190 228 L HN 0.294 nan 8.230 nan 0.000 0.487 229 V N 0.491 120.413 119.914 0.014 0.000 2.295 229 V HA -0.271 3.849 4.120 0.001 0.000 0.246 229 V C 1.970 178.066 176.094 0.004 0.000 1.049 229 V CA 2.089 64.389 62.300 0.001 0.000 1.024 229 V CB -0.320 31.492 31.823 -0.018 0.000 0.648 229 V HN 0.403 nan 8.190 nan 0.000 0.447 230 D N -1.599 118.794 120.400 -0.012 0.000 2.183 230 D HA -0.112 4.528 4.640 0.001 0.000 0.203 230 D C 2.100 178.349 176.300 -0.084 0.000 0.969 230 D CA 0.939 54.902 54.000 -0.062 0.000 0.842 230 D CB -0.321 40.416 40.800 -0.105 0.000 0.957 230 D HN 0.515 nan 8.370 nan 0.000 0.484 231 H N 0.709 119.764 119.070 -0.024 0.000 2.352 231 H HA -0.070 4.486 4.556 0.001 0.000 0.299 231 H C 2.049 177.364 175.328 -0.021 0.000 1.097 231 H CA 1.418 57.455 56.048 -0.018 0.000 1.311 231 H CB -0.045 29.704 29.762 -0.023 0.000 1.377 231 H HN 0.098 nan 8.280 nan 0.000 0.504 232 A N 1.092 123.965 122.820 0.088 0.000 1.940 232 A HA -0.230 4.090 4.320 0.001 0.000 0.219 232 A C 2.382 179.975 177.584 0.016 0.000 1.176 232 A CA 2.002 54.060 52.037 0.035 0.000 0.631 232 A CB -0.328 18.680 19.000 0.014 0.000 0.814 232 A HN 0.381 nan 8.150 nan 0.000 0.446 233 E N -0.235 119.967 120.200 0.003 0.000 2.072 233 E HA -0.145 4.206 4.350 0.001 0.000 0.191 233 E C 1.793 178.386 176.600 -0.011 0.000 0.985 233 E CA 1.286 57.681 56.400 -0.008 0.000 0.801 233 E CB -0.434 29.254 29.700 -0.019 0.000 0.750 233 E HN 0.431 nan 8.360 nan 0.000 0.452 234 L N 0.321 121.533 121.223 -0.019 0.000 2.083 234 L HA 0.022 4.362 4.340 0.001 0.000 0.209 234 L C 2.166 179.036 176.870 -0.000 0.000 1.083 234 L CA 2.197 57.024 54.840 -0.021 0.000 0.752 234 L CB -0.878 41.151 42.059 -0.049 0.000 0.899 234 L HN 0.179 nan 8.230 nan 0.000 0.433 235 A N -0.523 122.308 122.820 0.018 0.000 2.070 235 A HA -0.176 4.144 4.320 0.001 0.000 0.220 235 A C 2.359 179.949 177.584 0.010 0.000 1.159 235 A CA 1.502 53.552 52.037 0.021 0.000 0.656 235 A CB -0.564 18.453 19.000 0.029 0.000 0.800 235 A HN 0.546 nan 8.150 nan 0.000 0.453 236 R N -0.902 119.600 120.500 0.005 0.000 2.193 236 R HA 0.050 4.391 4.340 0.001 0.000 0.213 236 R C 1.897 178.195 176.300 -0.003 0.000 1.055 236 R CA 0.927 57.028 56.100 0.001 0.000 0.995 236 R CB -0.071 30.229 30.300 0.000 0.000 0.893 236 R HN 0.456 nan 8.270 nan 0.000 0.459 237 R N 0.354 120.850 120.500 -0.005 0.000 2.265 237 R HA 0.211 4.551 4.340 0.001 0.000 0.194 237 R C 0.900 177.192 176.300 -0.012 0.000 0.931 237 R CA 0.376 56.470 56.100 -0.009 0.000 1.032 237 R CB 0.337 30.630 30.300 -0.011 0.000 0.980 237 R HN 0.214 nan 8.270 nan 0.000 0.497 238 I N -3.461 117.102 120.570 -0.011 0.000 3.042 238 I HA 0.375 4.546 4.170 0.001 0.000 0.310 238 I C 0.261 176.373 176.117 -0.008 0.000 1.117 238 I CA -1.136 60.155 61.300 -0.015 0.000 1.003 238 I CB 2.432 40.419 38.000 -0.022 0.000 1.228 238 I HN -0.248 nan 8.210 nan 0.000 0.443 239 R N 0.611 121.104 120.500 -0.012 0.000 2.265 239 R HA 0.190 4.531 4.340 0.001 0.000 0.194 239 R C 0.056 176.356 176.300 0.001 0.000 0.931 239 R CA 0.124 56.220 56.100 -0.007 0.000 1.032 239 R CB 0.176 30.467 30.300 -0.016 0.000 0.980 239 R HN 0.673 nan 8.270 nan 0.000 0.497 240 T N 3.960 118.515 114.554 0.000 0.000 2.853 240 T HA 0.104 4.455 4.350 0.001 0.000 0.298 240 T C -2.341 172.382 174.700 0.040 0.000 0.978 240 T CA -0.912 61.197 62.100 0.015 0.000 1.152 240 T CB 0.981 69.853 68.868 0.007 0.000 0.914 240 T HN -0.070 nan 8.240 nan 0.000 0.539 241 P HA 0.137 nan 4.420 nan 0.000 0.266 241 P C -0.457 176.917 177.300 0.123 0.000 1.195 241 P CA -0.148 63.004 63.100 0.088 0.000 0.768 241 P CB 0.408 32.176 31.700 0.113 0.000 0.838 242 L N 2.583 123.863 121.223 0.095 0.000 2.307 242 L HA 0.424 4.764 4.340 0.001 0.000 0.282 242 L C 0.341 177.246 176.870 0.058 0.000 1.051 242 L CA -0.633 54.269 54.840 0.102 0.000 0.804 242 L CB 1.295 43.413 42.059 0.098 0.000 1.197 242 L HN 0.435 nan 8.230 nan 0.000 0.431 243 C N 5.254 124.592 119.300 0.062 0.000 2.322 243 C HA 0.584 5.045 4.460 0.001 0.000 0.324 243 C C -0.120 174.818 174.990 -0.088 0.000 1.284 243 C CA -0.729 58.250 59.018 -0.066 0.000 1.606 243 C CB 0.384 27.994 27.740 -0.218 0.000 2.251 243 C HN 0.566 nan 8.230 nan 0.000 0.502 244 L N 5.549 126.673 121.223 -0.165 0.000 2.334 244 L HA 0.473 4.813 4.340 0.001 0.000 0.277 244 L C 0.574 177.344 176.870 -0.167 0.000 1.075 244 L CA 0.649 55.369 54.840 -0.200 0.000 0.804 244 L CB 1.261 43.184 42.059 -0.227 0.000 1.174 244 L HN 0.866 nan 8.230 nan 0.000 0.438 245 D N 0.707 121.044 120.400 -0.105 0.000 3.040 245 D HA -0.002 4.639 4.640 0.001 0.000 0.221 245 D C 1.235 177.534 176.300 -0.003 0.000 1.515 245 D CA 0.306 54.275 54.000 -0.053 0.000 1.379 245 D CB 0.374 41.199 40.800 0.042 0.000 0.992 245 D HN 0.436 nan 8.370 nan 0.000 0.234 246 E N 0.218 120.444 120.200 0.042 0.000 2.209 246 E HA -0.083 4.268 4.350 0.001 0.000 0.196 246 E C 1.813 178.463 176.600 0.084 0.000 0.993 246 E CA 1.492 57.923 56.400 0.051 0.000 0.819 246 E CB -0.151 29.587 29.700 0.063 0.000 0.745 246 E HN 0.305 nan 8.360 nan 0.000 0.477 247 S N -0.574 115.127 115.700 0.002 0.000 2.603 247 S HA 0.068 4.538 4.470 0.001 0.000 0.220 247 S C 0.626 175.185 174.600 -0.068 0.000 0.967 247 S CA -0.271 57.894 58.200 -0.060 0.000 0.920 247 S CB 0.274 63.397 63.200 -0.128 0.000 0.773 247 S HN -0.050 nan 8.310 nan 0.000 0.529 248 V N 2.065 121.943 119.914 -0.060 0.000 2.257 248 V HA 0.682 4.803 4.120 0.001 0.000 0.269 248 V C 0.616 176.694 176.094 -0.027 0.000 1.040 248 V CA -0.053 62.209 62.300 -0.065 0.000 0.813 248 V CB 0.288 32.048 31.823 -0.105 0.000 1.065 248 V HN 0.469 nan 8.190 nan 0.000 0.457 249 A N 3.626 126.442 122.820 -0.006 0.000 2.503 249 A HA 0.687 5.007 4.320 0.001 0.000 0.263 249 A C 0.646 178.238 177.584 0.014 0.000 1.258 249 A CA 0.465 52.513 52.037 0.018 0.000 0.936 249 A CB 0.174 19.202 19.000 0.047 0.000 1.070 249 A HN 0.920 nan 8.150 nan 0.000 0.522 250 S N -3.366 112.334 115.700 -0.000 0.000 2.615 250 S HA 0.597 5.067 4.470 0.001 0.000 0.268 250 S C 0.735 175.335 174.600 0.000 0.000 1.146 250 S CA 0.049 58.254 58.200 0.008 0.000 0.818 250 S CB 0.793 64.000 63.200 0.013 0.000 1.111 250 S HN 1.036 nan 8.310 nan 0.000 0.465 251 A N 1.560 124.389 122.820 0.015 0.000 1.930 251 A HA 0.049 4.369 4.320 0.001 0.000 0.217 251 A C 2.289 179.884 177.584 0.018 0.000 1.175 251 A CA 2.186 54.235 52.037 0.021 0.000 0.627 251 A CB -1.500 17.525 19.000 0.041 0.000 0.815 251 A HN 1.648 nan 8.150 nan 0.000 0.443 252 S N 0.115 115.826 115.700 0.017 0.000 2.402 252 S HA -0.156 4.315 4.470 0.001 0.000 0.229 252 S C 1.354 175.949 174.600 -0.008 0.000 1.021 252 S CA 1.314 59.523 58.200 0.015 0.000 0.974 252 S CB -0.451 62.759 63.200 0.016 0.000 0.800 252 S HN 0.476 nan 8.310 nan 0.000 0.484 253 D N 2.510 122.898 120.400 -0.021 0.000 2.144 253 D HA 0.079 4.720 4.640 0.001 0.000 0.199 253 D C 2.263 178.518 176.300 -0.075 0.000 0.984 253 D CA 1.403 55.375 54.000 -0.046 0.000 0.834 253 D CB -0.675 40.098 40.800 -0.045 0.000 0.955 253 D HN 0.542 nan 8.370 nan 0.000 0.465 254 A N 1.109 123.886 122.820 -0.071 0.000 1.902 254 A HA -0.192 4.129 4.320 0.001 0.000 0.217 254 A C 2.183 179.667 177.584 -0.168 0.000 1.181 254 A CA 1.406 53.373 52.037 -0.117 0.000 0.623 254 A CB -0.401 18.547 19.000 -0.086 0.000 0.818 254 A HN 0.050 nan 8.150 nan 0.000 0.443 255 R N 0.377 120.835 120.500 -0.069 0.000 2.073 255 R HA -0.135 4.206 4.340 0.001 0.000 0.234 255 R C 1.913 178.150 176.300 -0.105 0.000 1.134 255 R CA 2.113 58.203 56.100 -0.016 0.000 0.952 255 R CB -0.477 29.903 30.300 0.133 0.000 0.850 255 R HN 0.570 nan 8.270 nan 0.000 0.433 256 K N 0.063 120.423 120.400 -0.067 0.000 2.026 256 K HA -0.083 4.237 4.320 0.001 0.000 0.208 256 K C 2.193 178.720 176.600 -0.121 0.000 1.048 256 K CA 1.646 57.895 56.287 -0.065 0.000 0.929 256 K CB -0.244 32.229 32.500 -0.045 0.000 0.713 256 K HN 0.249 nan 8.250 nan 0.000 0.439 257 A N 1.293 124.017 122.820 -0.161 0.000 1.883 257 A HA -0.159 4.162 4.320 0.001 0.000 0.217 257 A C 2.130 179.566 177.584 -0.246 0.000 1.186 257 A CA 1.413 53.342 52.037 -0.179 0.000 0.624 257 A CB -0.668 18.221 19.000 -0.185 0.000 0.822 257 A HN 0.165 nan 8.150 nan 0.000 0.444 258 L N -1.107 119.855 121.223 -0.435 0.000 2.072 258 L HA -0.110 4.231 4.340 0.001 0.000 0.205 258 L C 3.084 179.659 176.870 -0.491 0.000 1.079 258 L CA 0.958 55.405 54.840 -0.655 0.000 0.752 258 L CB -0.556 40.688 42.059 -1.359 0.000 0.906 258 L HN 0.425 nan 8.230 nan 0.000 0.436 259 A N 0.134 122.734 122.820 -0.366 0.000 1.930 259 A HA -0.117 4.203 4.320 0.001 0.000 0.217 259 A C 2.200 179.787 177.584 0.005 0.000 1.175 259 A CA 1.203 53.255 52.037 0.025 0.000 0.627 259 A CB -0.657 18.442 19.000 0.165 0.000 0.815 259 A HN 0.356 nan 8.150 nan 0.000 0.443 260 L N -1.001 120.196 121.223 -0.043 0.000 2.362 260 L HA 0.033 4.374 4.340 0.001 0.000 0.219 260 L C 1.707 178.561 176.870 -0.026 0.000 1.134 260 L CA 0.642 55.467 54.840 -0.026 0.000 0.807 260 L CB -0.471 41.569 42.059 -0.032 0.000 0.927 260 L HN 0.614 nan 8.230 nan 0.000 0.447 261 G N -0.582 108.188 108.800 -0.051 0.000 2.198 261 G HA2 -0.320 3.641 3.960 0.001 0.000 0.257 261 G HA3 -0.320 3.641 3.960 0.001 0.000 0.257 261 G C 0.931 175.814 174.900 -0.028 0.000 1.042 261 G CA 0.394 45.472 45.100 -0.036 0.000 0.791 261 G HN 0.451 nan 8.290 nan 0.000 0.502 262 A N -1.073 121.719 122.820 -0.046 0.000 2.014 262 A HA 0.583 4.904 4.320 0.001 0.000 0.218 262 A C 1.686 179.254 177.584 -0.026 0.000 1.163 262 A CA 1.911 53.939 52.037 -0.015 0.000 0.652 262 A CB 0.127 19.103 19.000 -0.039 0.000 0.808 262 A HN 2.203 nan 8.150 nan 0.000 0.449 263 G N -4.008 104.751 108.800 -0.069 0.000 2.559 263 G HA2 0.451 4.411 3.960 0.001 0.000 0.291 263 G HA3 0.451 4.411 3.960 0.001 0.000 0.291 263 G C 0.148 175.004 174.900 -0.073 0.000 1.424 263 G CA 0.215 45.281 45.100 -0.058 0.000 0.786 263 G HN 0.662 nan 8.290 nan 0.000 0.485 264 G N -1.357 107.418 108.800 -0.042 0.000 3.377 264 G HA2 0.489 4.449 3.960 0.001 0.000 0.257 264 G HA3 0.489 4.449 3.960 0.001 0.000 0.257 264 G C -0.395 174.480 174.900 -0.042 0.000 1.038 264 G CA 0.288 45.366 45.100 -0.037 0.000 0.809 264 G HN 0.972 nan 8.290 nan 0.000 0.526 265 V N 0.886 120.757 119.914 -0.071 0.000 2.932 265 V HA 0.499 4.620 4.120 0.001 0.000 0.307 265 V C -1.090 174.904 176.094 -0.167 0.000 1.147 265 V CA -0.796 61.450 62.300 -0.090 0.000 0.951 265 V CB 2.402 34.170 31.823 -0.092 0.000 1.031 265 V HN 0.103 nan 8.190 nan 0.000 0.426 266 I N 3.070 123.510 120.570 -0.217 0.000 2.436 266 I HA 0.388 4.559 4.170 0.001 0.000 0.289 266 I C -0.306 175.463 176.117 -0.581 0.000 1.010 266 I CA -0.594 60.514 61.300 -0.319 0.000 1.098 266 I CB 1.945 39.781 38.000 -0.273 0.000 1.266 266 I HN 0.609 nan 8.210 nan 0.000 0.434 267 N N 7.057 125.323 118.700 -0.723 0.000 2.399 267 N HA 0.087 4.827 4.740 0.001 0.000 0.259 267 N C -1.177 173.936 175.510 -0.660 0.000 1.160 267 N CA -0.229 52.084 53.050 -1.228 0.000 0.946 267 N CB 0.702 38.583 38.487 -1.010 0.000 1.156 267 N HN 0.405 nan 8.380 nan 0.000 0.489 268 L N 3.942 124.831 121.223 -0.556 0.000 2.257 268 L HA 0.420 4.761 4.340 0.001 0.000 0.290 268 L C -0.405 176.392 176.870 -0.123 0.000 1.044 268 L CA -0.156 54.539 54.840 -0.242 0.000 0.810 268 L CB 0.322 42.279 42.059 -0.170 0.000 1.193 268 L HN 0.370 nan 8.230 nan 0.000 0.425 269 K N 4.192 124.534 120.400 -0.097 0.000 2.339 269 K HA 0.243 4.564 4.320 0.001 0.000 0.264 269 K C 0.690 177.266 176.600 -0.040 0.000 0.986 269 K CA -0.434 55.814 56.287 -0.064 0.000 0.866 269 K CB 2.255 34.709 32.500 -0.076 0.000 1.103 269 K HN 0.541 nan 8.250 nan 0.000 0.441 270 V N 3.365 123.250 119.914 -0.048 0.000 2.287 270 V HA -0.292 3.829 4.120 0.001 0.000 0.248 270 V C 1.829 177.852 176.094 -0.117 0.000 1.053 270 V CA 2.768 65.010 62.300 -0.097 0.000 1.027 270 V CB -0.159 31.547 31.823 -0.196 0.000 0.646 270 V HN 0.940 nan 8.190 nan 0.000 0.447 271 A N -0.129 122.626 122.820 -0.109 0.000 1.897 271 A HA -0.183 4.138 4.320 0.001 0.000 0.215 271 A C 2.405 179.977 177.584 -0.020 0.000 1.181 271 A CA 1.683 53.671 52.037 -0.082 0.000 0.620 271 A CB -0.740 18.211 19.000 -0.082 0.000 0.821 271 A HN 0.575 nan 8.150 nan 0.000 0.443 272 R N 0.120 120.625 120.500 0.008 0.000 2.119 272 R HA -0.160 4.181 4.340 0.001 0.000 0.246 272 R C 1.798 178.123 176.300 0.042 0.000 1.146 272 R CA 2.188 58.326 56.100 0.064 0.000 0.962 272 R CB -0.406 29.962 30.300 0.114 0.000 0.863 272 R HN 0.566 nan 8.270 nan 0.000 0.442 273 V N -3.203 116.719 119.914 0.014 0.000 3.623 273 V HA 0.360 4.481 4.120 0.001 0.000 0.271 273 V C 0.893 176.996 176.094 0.014 0.000 1.248 273 V CA 0.809 63.117 62.300 0.014 0.000 1.156 273 V CB 0.312 32.138 31.823 0.005 0.000 0.870 273 V HN 0.489 nan 8.190 nan 0.000 0.453 274 G N -1.565 107.237 108.800 0.003 0.000 2.163 274 G HA2 0.312 4.273 3.960 0.001 0.000 0.213 274 G HA3 0.312 4.273 3.960 0.001 0.000 0.213 274 G C 0.987 175.881 174.900 -0.010 0.000 0.991 274 G CA -0.034 45.068 45.100 0.004 0.000 0.653 274 G HN 2.294 nan 8.290 nan 0.000 0.518 275 G N -1.835 106.936 108.800 -0.048 0.000 2.343 275 G HA2 0.234 4.195 3.960 0.001 0.000 0.562 275 G HA3 0.234 4.195 3.960 0.001 0.000 0.562 275 G C 0.209 175.058 174.900 -0.085 0.000 1.269 275 G CA 0.432 45.477 45.100 -0.092 0.000 1.011 275 G HN 0.543 nan 8.290 nan 0.000 0.498 276 H N -0.085 118.982 119.070 -0.006 0.000 2.357 276 H HA 0.049 4.605 4.556 0.001 0.000 0.301 276 H C 3.086 178.343 175.328 -0.118 0.000 1.082 276 H CA 2.405 58.343 56.048 -0.184 0.000 1.342 276 H CB -0.495 28.892 29.762 -0.624 0.000 1.389 276 H HN 0.735 nan 8.280 nan 0.000 0.511 277 A N 1.097 124.051 122.820 0.224 0.000 1.858 277 A HA -0.212 4.108 4.320 0.001 0.000 0.216 277 A C 2.386 180.054 177.584 0.140 0.000 1.190 277 A CA 2.022 54.210 52.037 0.251 0.000 0.617 277 A CB -0.371 18.870 19.000 0.402 0.000 0.827 277 A HN 0.365 nan 8.150 nan 0.000 0.443 278 E N -0.040 120.229 120.200 0.115 0.000 2.150 278 E HA -0.073 4.278 4.350 0.001 0.000 0.193 278 E C 2.151 178.789 176.600 0.064 0.000 0.985 278 E CA 1.330 57.776 56.400 0.077 0.000 0.814 278 E CB -0.230 29.503 29.700 0.055 0.000 0.752 278 E HN 0.481 nan 8.360 nan 0.000 0.466 279 S N -0.045 115.690 115.700 0.059 0.000 2.368 279 S HA -0.163 4.307 4.470 0.001 0.000 0.225 279 S C 1.890 176.554 174.600 0.106 0.000 1.030 279 S CA 1.293 59.536 58.200 0.072 0.000 0.999 279 S CB -0.288 62.959 63.200 0.077 0.000 0.844 279 S HN 0.292 nan 8.310 nan 0.000 0.459 280 R N 1.070 121.617 120.500 0.078 0.000 2.096 280 R HA -0.023 4.318 4.340 0.001 0.000 0.235 280 R C 2.367 178.739 176.300 0.121 0.000 1.127 280 R CA 1.163 57.299 56.100 0.060 0.000 0.968 280 R CB -0.088 30.204 30.300 -0.013 0.000 0.861 280 R HN 0.292 nan 8.270 nan 0.000 0.440 281 R N -0.200 120.361 120.500 0.102 0.000 2.083 281 R HA -0.110 4.231 4.340 0.001 0.000 0.237 281 R C 2.314 178.669 176.300 0.092 0.000 1.137 281 R CA 1.705 57.864 56.100 0.098 0.000 0.951 281 R CB -0.504 29.844 30.300 0.080 0.000 0.851 281 R HN 0.083 nan 8.270 nan 0.000 0.434 282 V N 0.525 120.482 119.914 0.071 0.000 2.287 282 V HA -0.325 3.796 4.120 0.001 0.000 0.248 282 V C 2.283 178.393 176.094 0.027 0.000 1.053 282 V CA 2.373 64.691 62.300 0.031 0.000 1.027 282 V CB -0.736 31.085 31.823 -0.004 0.000 0.646 282 V HN 0.467 nan 8.190 nan 0.000 0.447 283 H N 0.256 119.288 119.070 -0.063 0.000 2.319 283 H HA -0.209 4.348 4.556 0.001 0.000 0.297 283 H C 2.007 177.313 175.328 -0.037 0.000 1.097 283 H CA 2.269 58.252 56.048 -0.108 0.000 1.285 283 H CB -0.059 29.671 29.762 -0.054 0.000 1.368 283 H HN 0.424 nan 8.280 nan 0.000 0.495 284 D N -0.195 120.320 120.400 0.192 0.000 2.149 284 D HA -0.101 4.539 4.640 0.001 0.000 0.201 284 D C 2.474 178.812 176.300 0.063 0.000 0.972 284 D CA 1.041 55.120 54.000 0.132 0.000 0.835 284 D CB -0.252 40.648 40.800 0.168 0.000 0.966 284 D HN 0.305 nan 8.370 nan 0.000 0.476 285 V N 1.680 121.643 119.914 0.083 0.000 2.261 285 V HA -0.263 3.857 4.120 0.001 0.000 0.246 285 V C 2.579 178.795 176.094 0.202 0.000 1.047 285 V CA 1.916 64.301 62.300 0.142 0.000 1.015 285 V CB -0.885 31.021 31.823 0.138 0.000 0.642 285 V HN 0.178 nan 8.190 nan 0.000 0.446 286 A N -0.383 122.471 122.820 0.057 0.000 1.873 286 A HA -0.365 3.955 4.320 0.001 0.000 0.218 286 A C 2.194 179.799 177.584 0.034 0.000 1.193 286 A CA 2.534 54.574 52.037 0.005 0.000 0.629 286 A CB -0.746 18.170 19.000 -0.140 0.000 0.826 286 A HN 0.559 nan 8.150 nan 0.000 0.447 287 Q N 0.799 120.553 119.800 -0.078 0.000 2.112 287 Q HA -0.194 4.146 4.340 0.001 0.000 0.206 287 Q C 2.188 178.189 176.000 0.002 0.000 0.987 287 Q CA 2.867 58.624 55.803 -0.077 0.000 0.858 287 Q CB -0.583 28.065 28.738 -0.150 0.000 0.905 287 Q HN 0.776 nan 8.270 nan 0.000 0.420 288 S N -1.344 114.370 115.700 0.022 0.000 2.442 288 S HA -0.106 4.365 4.470 0.001 0.000 0.236 288 S C 1.473 176.012 174.600 -0.102 0.000 1.007 288 S CA 0.912 59.086 58.200 -0.044 0.000 0.965 288 S CB -0.556 62.594 63.200 -0.083 0.000 0.773 288 S HN 0.424 nan 8.310 nan 0.000 0.504 289 F N 2.006 121.932 119.950 -0.040 0.000 2.797 289 F HA 0.372 4.899 4.527 0.001 0.000 0.302 289 F C 1.923 177.702 175.800 -0.035 0.000 1.130 289 F CA 0.184 58.164 58.000 -0.034 0.000 1.387 289 F CB -0.206 38.771 39.000 -0.039 0.000 1.107 289 F HN 0.396 nan 8.300 nan 0.000 0.577 290 G N 0.912 109.776 108.800 0.107 0.000 2.198 290 G HA2 -0.130 3.830 3.960 0.001 0.000 0.260 290 G HA3 -0.130 3.830 3.960 0.001 0.000 0.260 290 G C 0.064 174.993 174.900 0.048 0.000 1.025 290 G CA 0.081 45.215 45.100 0.056 0.000 0.769 290 G HN 0.656 nan 8.290 nan 0.000 0.507 291 A N 0.518 123.363 122.820 0.041 0.000 2.318 291 A HA 0.901 5.221 4.320 0.001 0.000 0.324 291 A C -1.774 175.777 177.584 -0.055 0.000 1.170 291 A CA -1.485 50.549 52.037 -0.005 0.000 0.810 291 A CB 2.017 20.997 19.000 -0.032 0.000 1.198 291 A HN 0.196 nan 8.150 nan 0.000 0.484 292 P HA 0.421 nan 4.420 nan 0.000 0.279 292 P C -0.225 177.011 177.300 -0.107 0.000 1.252 292 P CA -0.142 62.922 63.100 -0.060 0.000 0.811 292 P CB 1.444 33.159 31.700 0.023 0.000 1.035 293 V N -0.867 118.918 119.914 -0.214 0.000 3.096 293 V HA 0.818 4.939 4.120 0.001 0.000 0.319 293 V C -0.608 175.427 176.094 -0.099 0.000 1.103 293 V CA -0.820 61.294 62.300 -0.311 0.000 1.016 293 V CB 2.018 33.467 31.823 -0.624 0.000 1.090 293 V HN 0.797 nan 8.190 nan 0.000 0.449 294 W N -0.128 121.066 121.300 -0.177 0.000 3.062 294 W HA 0.655 5.316 4.660 0.001 0.000 0.336 294 W C -1.287 175.393 176.519 0.269 0.000 1.224 294 W CA -1.444 55.972 57.345 0.119 0.000 1.159 294 W CB 1.117 30.639 29.460 0.104 0.000 1.454 294 W HN 0.862 nan 8.180 nan 0.000 0.569 295 C N 2.973 122.667 119.300 0.657 0.000 2.281 295 C HA 0.670 5.131 4.460 0.001 0.000 0.336 295 C C 1.134 176.258 174.990 0.223 0.000 1.217 295 C CA 0.485 59.732 59.018 0.382 0.000 1.730 295 C CB -0.922 26.966 27.740 0.247 0.000 2.338 295 C HN 0.790 nan 8.230 nan 0.000 0.521 296 G N 4.154 112.895 108.800 -0.099 0.000 2.599 296 G HA2 0.564 4.525 3.960 0.001 0.000 0.264 296 G HA3 0.564 4.525 3.960 0.001 0.000 0.264 296 G C 0.090 174.997 174.900 0.012 0.000 1.200 296 G CA 0.146 45.195 45.100 -0.085 0.000 0.896 296 G HN 1.206 nan 8.290 nan 0.000 0.536 297 G N -0.979 107.831 108.800 0.017 0.000 2.533 297 G HA2 0.510 4.471 3.960 0.001 0.000 0.304 297 G HA3 0.510 4.471 3.960 0.001 0.000 0.304 297 G C -0.204 174.627 174.900 -0.115 0.000 1.263 297 G CA -0.628 44.452 45.100 -0.033 0.000 0.964 297 G HN 0.387 nan 8.290 nan 0.000 0.479 298 M N 1.955 121.468 119.600 -0.144 0.000 3.181 298 M HA 0.304 4.784 4.480 0.001 0.000 0.422 298 M C 0.468 176.685 176.300 -0.139 0.000 1.481 298 M CA -0.338 54.855 55.300 -0.178 0.000 0.783 298 M CB -0.160 32.321 32.600 -0.199 0.000 1.437 298 M HN 0.639 nan 8.290 nan 0.000 0.505 299 L N 1.534 122.630 121.223 -0.212 0.000 3.597 299 L HA -0.255 4.086 4.340 0.001 0.000 0.440 299 L C -0.496 176.361 176.870 -0.020 0.000 1.277 299 L CA 0.437 55.101 54.840 -0.294 0.000 0.852 299 L CB -0.487 41.465 42.059 -0.178 0.000 1.708 299 L HN 0.369 nan 8.230 nan 0.000 0.885 300 E N 0.072 120.260 120.200 -0.021 0.000 2.366 300 E HA 0.358 4.708 4.350 0.001 0.000 0.266 300 E C 0.645 177.426 176.600 0.302 0.000 1.051 300 E CA 0.471 56.938 56.400 0.112 0.000 0.884 300 E CB 0.872 30.596 29.700 0.041 0.000 1.006 300 E HN 0.429 nan 8.360 nan 0.000 0.417 301 S N 0.854 116.638 115.700 0.140 0.000 2.617 301 S HA 0.134 4.605 4.470 0.001 0.000 0.255 301 S C 1.512 176.130 174.600 0.030 0.000 1.318 301 S CA -0.244 57.895 58.200 -0.103 0.000 0.978 301 S CB 0.731 63.730 63.200 -0.334 0.000 0.961 301 S HN 0.625 nan 8.310 nan 0.000 0.582 302 G N 0.149 108.939 108.800 -0.017 0.000 2.462 302 G HA2 -0.123 3.838 3.960 0.001 0.000 0.220 302 G HA3 -0.123 3.838 3.960 0.001 0.000 0.220 302 G C 1.244 176.179 174.900 0.058 0.000 1.121 302 G CA 0.852 45.981 45.100 0.049 0.000 0.758 302 G HN 0.599 nan 8.290 nan 0.000 0.559 303 I N 1.763 122.361 120.570 0.046 0.000 2.090 303 I HA -0.108 4.062 4.170 0.001 0.000 0.236 303 I C 3.079 179.321 176.117 0.209 0.000 1.064 303 I CA 1.628 62.992 61.300 0.106 0.000 1.324 303 I CB -1.625 36.426 38.000 0.084 0.000 1.044 303 I HN 0.228 nan 8.210 nan 0.000 0.399 304 G N 0.328 109.211 108.800 0.138 0.000 2.440 304 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 304 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 304 G C 1.920 176.900 174.900 0.134 0.000 1.154 304 G CA 0.880 46.054 45.100 0.123 0.000 0.767 304 G HN 0.310 nan 8.290 nan 0.000 0.552 305 R N 0.502 121.065 120.500 0.105 0.000 2.091 305 R HA -0.042 4.299 4.340 0.001 0.000 0.238 305 R C 2.861 179.222 176.300 0.102 0.000 1.136 305 R CA 1.617 57.773 56.100 0.093 0.000 0.959 305 R CB -0.384 29.979 30.300 0.103 0.000 0.856 305 R HN 0.304 nan 8.270 nan 0.000 0.437 306 A N 0.287 123.171 122.820 0.107 0.000 1.898 306 A HA -0.175 4.146 4.320 0.001 0.000 0.216 306 A C 1.896 179.559 177.584 0.133 0.000 1.181 306 A CA 1.399 53.497 52.037 0.101 0.000 0.620 306 A CB -0.816 18.215 19.000 0.053 0.000 0.819 306 A HN 0.461 nan 8.150 nan 0.000 0.442 307 H N 0.138 119.280 119.070 0.120 0.000 2.352 307 H HA -0.122 4.435 4.556 0.001 0.000 0.299 307 H C 1.880 177.309 175.328 0.168 0.000 1.097 307 H CA 1.766 57.919 56.048 0.175 0.000 1.311 307 H CB -0.134 29.731 29.762 0.172 0.000 1.377 307 H HN 0.443 nan 8.280 nan 0.000 0.504 308 N N 0.818 119.637 118.700 0.198 0.000 2.104 308 N HA -0.109 4.631 4.740 0.001 0.000 0.190 308 N C 2.191 177.690 175.510 -0.018 0.000 1.024 308 N CA 0.762 53.856 53.050 0.073 0.000 0.853 308 N CB -0.409 38.105 38.487 0.045 0.000 1.008 308 N HN 0.367 nan 8.380 nan 0.000 0.424 309 I N 0.437 121.005 120.570 -0.004 0.000 2.252 309 I HA -0.245 3.926 4.170 0.001 0.000 0.245 309 I C 2.200 178.199 176.117 -0.197 0.000 1.102 309 I CA 0.990 62.228 61.300 -0.103 0.000 1.385 309 I CB -0.308 37.635 38.000 -0.094 0.000 1.064 309 I HN 0.255 nan 8.210 nan 0.000 0.414 310 H N 0.125 119.114 119.070 -0.135 0.000 2.321 310 H HA -0.180 4.376 4.556 0.001 0.000 0.300 310 H C 2.208 177.389 175.328 -0.245 0.000 1.087 310 H CA 1.755 57.690 56.048 -0.189 0.000 1.319 310 H CB -0.206 29.421 29.762 -0.225 0.000 1.379 310 H HN 0.201 nan 8.280 nan 0.000 0.501 311 L N 1.035 122.195 121.223 -0.105 0.000 2.042 311 L HA -0.142 4.198 4.340 0.001 0.000 0.210 311 L C 2.215 178.731 176.870 -0.590 0.000 1.076 311 L CA 1.474 56.186 54.840 -0.214 0.000 0.749 311 L CB -0.652 41.400 42.059 -0.013 0.000 0.893 311 L HN -0.011 nan 8.230 nan 0.000 0.432 312 S N -1.777 113.493 115.700 -0.717 0.000 2.500 312 S HA -0.167 4.304 4.470 0.001 0.000 0.239 312 S C 1.918 176.206 174.600 -0.521 0.000 0.989 312 S CA 1.012 58.600 58.200 -1.021 0.000 0.951 312 S CB -0.881 62.017 63.200 -0.504 0.000 0.759 312 S HN 0.615 nan 8.310 nan 0.000 0.523 313 C N 1.153 120.246 119.300 -0.346 0.000 2.456 313 C HA 0.184 4.644 4.460 0.001 0.000 0.279 313 C C 0.964 175.874 174.990 -0.134 0.000 1.427 313 C CA -0.510 58.385 59.018 -0.206 0.000 1.778 313 C CB -1.401 26.220 27.740 -0.198 0.000 1.842 313 C HN 0.351 nan 8.230 nan 0.000 0.531 314 L N 1.675 122.840 121.223 -0.097 0.000 2.483 314 L HA 0.060 4.400 4.340 0.001 0.000 0.276 314 L C 1.764 178.814 176.870 0.299 0.000 1.213 314 L CA 0.807 55.657 54.840 0.016 0.000 0.843 314 L CB 0.350 42.256 42.059 -0.255 0.000 1.107 314 L HN 0.290 nan 8.230 nan 0.000 0.487 315 S N 0.623 116.493 115.700 0.284 0.000 2.447 315 S HA -0.129 4.341 4.470 0.001 0.000 0.233 315 S C 1.241 175.992 174.600 0.252 0.000 1.006 315 S CA 1.053 59.383 58.200 0.216 0.000 0.957 315 S CB -0.465 62.812 63.200 0.127 0.000 0.773 315 S HN 0.766 nan 8.310 nan 0.000 0.507 316 N N -0.218 118.686 118.700 0.340 0.000 2.322 316 N HA 0.124 4.865 4.740 0.001 0.000 0.194 316 N C -0.988 174.492 175.510 -0.050 0.000 1.126 316 N CA -0.241 52.747 53.050 -0.103 0.000 0.845 316 N CB 0.033 38.107 38.487 -0.689 0.000 0.976 316 N HN 0.317 nan 8.380 nan 0.000 0.475 317 F N 1.316 121.370 119.950 0.174 0.000 2.652 317 F HA 0.230 4.758 4.527 0.002 0.000 0.352 317 F C 1.254 177.125 175.800 0.118 0.000 1.259 317 F CA -0.101 57.993 58.000 0.156 0.000 1.249 317 F CB 0.333 39.424 39.000 0.153 0.000 1.628 317 F HN -0.120 nan 8.300 nan 0.000 0.654 318 R N 1.391 122.005 120.500 0.190 0.000 2.393 318 R HA 0.327 4.668 4.340 0.001 0.000 0.244 318 R C -0.272 176.109 176.300 0.136 0.000 0.920 318 R CA 0.054 56.237 56.100 0.138 0.000 1.076 318 R CB 0.412 30.760 30.300 0.079 0.000 1.119 318 R HN 0.409 nan 8.270 nan 0.000 0.524 319 L N 0.458 121.795 121.223 0.190 0.000 2.333 319 L HA 0.517 4.858 4.340 0.001 0.000 0.263 319 L C -2.427 174.550 176.870 0.178 0.000 1.014 319 L CA -2.671 52.254 54.840 0.141 0.000 0.820 319 L CB 2.093 44.218 42.059 0.110 0.000 1.352 319 L HN -0.236 nan 8.230 nan 0.000 0.421 320 P HA 0.178 nan 4.420 nan 0.000 0.272 320 P C -0.535 176.866 177.300 0.169 0.000 1.223 320 P CA -0.206 62.955 63.100 0.101 0.000 0.784 320 P CB 0.674 32.394 31.700 0.033 0.000 0.923 321 G N 0.391 109.334 108.800 0.239 0.000 2.489 321 G HA2 0.298 4.259 3.960 0.001 0.000 0.327 321 G HA3 0.298 4.259 3.960 0.001 0.000 0.327 321 G C -0.803 174.254 174.900 0.261 0.000 1.189 321 G CA -0.491 44.828 45.100 0.366 0.000 0.962 321 G HN 0.303 nan 8.290 nan 0.000 0.486 322 D N 1.347 121.937 120.400 0.317 0.000 2.713 322 D HA 0.177 4.818 4.640 0.001 0.000 0.229 322 D C 0.783 177.170 176.300 0.146 0.000 1.136 322 D CA 0.207 54.331 54.000 0.208 0.000 1.010 322 D CB 0.238 41.176 40.800 0.229 0.000 1.084 322 D HN 0.389 nan 8.370 nan 0.000 0.495 323 T N -2.271 112.368 114.554 0.142 0.000 3.532 323 T HA 0.286 4.637 4.350 0.001 0.000 0.241 323 T C 0.595 175.385 174.700 0.150 0.000 1.238 323 T CA -0.782 61.387 62.100 0.114 0.000 1.405 323 T CB 0.029 68.942 68.868 0.075 0.000 0.971 323 T HN 0.035 nan 8.240 nan 0.000 0.640 324 S N 1.046 116.873 115.700 0.212 0.000 2.661 324 S HA 0.573 5.044 4.470 0.001 0.000 0.265 324 S C 0.390 175.147 174.600 0.261 0.000 1.225 324 S CA -0.711 57.644 58.200 0.259 0.000 0.986 324 S CB 0.436 63.811 63.200 0.292 0.000 1.008 324 S HN 0.439 nan 8.310 nan 0.000 0.565 325 S N 0.782 116.605 115.700 0.205 0.000 2.546 325 S HA 0.311 4.781 4.470 0.001 0.000 0.290 325 S C 1.532 176.276 174.600 0.241 0.000 1.290 325 S CA -0.127 58.170 58.200 0.162 0.000 1.069 325 S CB 0.463 63.716 63.200 0.088 0.000 0.846 325 S HN 0.938 nan 8.310 nan 0.000 0.495 326 A N 3.482 126.457 122.820 0.259 0.000 1.933 326 A HA -0.114 4.207 4.320 0.001 0.000 0.218 326 A C 2.302 180.064 177.584 0.298 0.000 1.175 326 A CA 1.739 54.004 52.037 0.380 0.000 0.628 326 A CB -1.023 18.181 19.000 0.341 0.000 0.814 326 A HN 0.937 nan 8.150 nan 0.000 0.444 327 S N -0.067 115.727 115.700 0.157 0.000 2.465 327 S HA -0.175 4.296 4.470 0.001 0.000 0.241 327 S C 1.760 176.341 174.600 -0.033 0.000 1.000 327 S CA 1.160 59.407 58.200 0.078 0.000 0.964 327 S CB -0.486 62.740 63.200 0.043 0.000 0.763 327 S HN 0.654 nan 8.310 nan 0.000 0.512 328 R N -0.649 119.766 120.500 -0.141 0.000 2.235 328 R HA 0.080 4.420 4.340 0.001 0.000 0.213 328 R C 1.199 177.105 176.300 -0.658 0.000 1.059 328 R CA 1.322 57.170 56.100 -0.420 0.000 0.997 328 R CB -0.225 29.709 30.300 -0.610 0.000 0.884 328 R HN 0.610 nan 8.270 nan 0.000 0.462 329 Y N -2.289 117.824 120.300 -0.312 0.000 2.607 329 Y HA 0.139 4.689 4.550 0.001 0.000 0.276 329 Y C 0.294 175.727 175.900 -0.780 0.000 1.117 329 Y CA -0.437 57.230 58.100 -0.723 0.000 1.273 329 Y CB 0.516 38.293 38.460 -1.138 0.000 1.282 329 Y HN -0.065 nan 8.280 nan 0.000 0.514 330 W N 1.536 122.929 121.300 0.154 0.000 2.656 330 W HA 0.348 5.009 4.660 0.002 0.000 0.327 330 W C 0.667 177.212 176.519 0.042 0.000 1.041 330 W CA -1.015 56.388 57.345 0.097 0.000 1.229 330 W CB 1.300 30.826 29.460 0.111 0.000 1.397 330 W HN -0.085 nan 8.180 nan 0.000 0.479 331 E N 1.254 121.608 120.200 0.257 0.000 2.065 331 E HA -0.201 4.149 4.350 0.001 0.000 0.201 331 E C 0.410 177.072 176.600 0.104 0.000 1.016 331 E CA 1.375 57.860 56.400 0.141 0.000 0.818 331 E CB -0.020 29.757 29.700 0.129 0.000 0.749 331 E HN 0.394 nan 8.360 nan 0.000 0.453 332 R N 0.057 120.630 120.500 0.121 0.000 2.548 332 R HA 0.222 4.563 4.340 0.001 0.000 0.280 332 R C -1.570 174.707 176.300 -0.039 0.000 1.061 332 R CA -0.617 55.428 56.100 -0.092 0.000 0.915 332 R CB 1.495 31.521 30.300 -0.457 0.000 1.210 332 R HN 0.018 nan 8.270 nan 0.000 0.442 333 D N 2.503 122.857 120.400 -0.075 0.000 2.388 333 D HA 0.184 4.825 4.640 0.001 0.000 0.254 333 D C 1.028 177.315 176.300 -0.022 0.000 1.111 333 D CA -0.391 53.559 54.000 -0.084 0.000 0.993 333 D CB 1.345 42.140 40.800 -0.008 0.000 1.118 333 D HN 0.541 nan 8.370 nan 0.000 0.502 334 L N 0.958 122.165 121.223 -0.026 0.000 2.554 334 L HA 0.135 4.476 4.340 0.001 0.000 0.226 334 L C 0.819 177.730 176.870 0.067 0.000 1.137 334 L CA 0.261 55.156 54.840 0.091 0.000 0.863 334 L CB -0.424 41.614 42.059 -0.036 0.000 0.985 334 L HN 0.321 nan 8.230 nan 0.000 0.451 335 I N -4.897 115.684 120.570 0.019 0.000 2.750 335 I HA 0.226 4.397 4.170 0.001 0.000 0.308 335 I C 0.759 176.879 176.117 0.005 0.000 1.016 335 I CA -0.793 60.517 61.300 0.017 0.000 1.098 335 I CB 1.330 39.337 38.000 0.011 0.000 1.279 335 I HN -0.091 nan 8.210 nan 0.000 0.454 336 Q N 1.115 120.919 119.800 0.007 0.000 2.224 336 Q HA -0.031 4.310 4.340 0.001 0.000 0.203 336 Q C -0.350 175.646 176.000 -0.007 0.000 0.970 336 Q CA 1.167 56.968 55.803 -0.003 0.000 0.865 336 Q CB -0.089 28.651 28.738 0.004 0.000 0.922 336 Q HN 0.646 nan 8.270 nan 0.000 0.445 337 E N 1.884 122.085 120.200 0.002 0.000 2.249 337 E HA 0.161 4.512 4.350 0.001 0.000 0.280 337 E C -2.364 174.245 176.600 0.014 0.000 1.016 337 E CA -2.198 54.206 56.400 0.006 0.000 0.830 337 E CB 0.695 30.401 29.700 0.010 0.000 1.081 337 E HN 0.020 nan 8.360 nan 0.000 0.395 338 P HA 0.118 nan 4.420 nan 0.000 0.281 338 P C -0.880 176.441 177.300 0.036 0.000 1.252 338 P CA -0.172 62.944 63.100 0.027 0.000 0.778 338 P CB 0.633 32.343 31.700 0.017 0.000 0.895 339 L N 3.814 125.073 121.223 0.060 0.000 2.313 339 L HA 0.385 4.726 4.340 0.001 0.000 0.273 339 L C 0.432 177.344 176.870 0.071 0.000 1.028 339 L CA -0.179 54.698 54.840 0.062 0.000 0.871 339 L CB 0.715 42.822 42.059 0.080 0.000 1.242 339 L HN 0.206 nan 8.230 nan 0.000 0.434 340 E N 2.801 123.028 120.200 0.044 0.000 2.241 340 E HA 0.517 4.868 4.350 0.001 0.000 0.263 340 E C -0.659 175.950 176.600 0.015 0.000 0.882 340 E CA -0.502 55.920 56.400 0.037 0.000 0.769 340 E CB 2.623 32.336 29.700 0.022 0.000 1.185 340 E HN 0.511 nan 8.360 nan 0.000 0.415 341 A N 2.438 125.267 122.820 0.014 0.000 2.340 341 A HA 0.547 4.867 4.320 0.001 0.000 0.268 341 A C -0.142 177.403 177.584 -0.065 0.000 1.100 341 A CA -0.412 51.613 52.037 -0.021 0.000 0.803 341 A CB 0.651 19.645 19.000 -0.009 0.000 1.043 341 A HN 0.321 nan 8.150 nan 0.000 0.488 342 V N 2.260 122.128 119.914 -0.077 0.000 2.531 342 V HA 0.370 4.491 4.120 0.001 0.000 0.301 342 V C 0.006 176.034 176.094 -0.111 0.000 1.034 342 V CA 0.108 62.354 62.300 -0.090 0.000 0.865 342 V CB 1.360 33.149 31.823 -0.056 0.000 0.995 342 V HN 1.123 nan 8.190 nan 0.000 0.424 343 D N 3.850 124.164 120.400 -0.145 0.000 2.751 343 D HA -0.179 4.461 4.640 0.001 0.000 0.233 343 D C 1.253 177.461 176.300 -0.154 0.000 1.149 343 D CA 2.171 56.088 54.000 -0.139 0.000 0.682 343 D CB -1.045 39.707 40.800 -0.080 0.000 1.068 343 D HN 1.606 nan 8.370 nan 0.000 0.429 344 G N -1.571 107.083 108.800 -0.244 0.000 2.162 344 G HA2 -0.289 3.672 3.960 0.001 0.000 0.260 344 G HA3 -0.289 3.672 3.960 0.001 0.000 0.260 344 G C 0.267 175.130 174.900 -0.061 0.000 0.976 344 G CA 0.411 45.410 45.100 -0.169 0.000 0.655 344 G HN 0.580 nan 8.290 nan 0.000 0.533 345 L N -0.064 121.121 121.223 -0.063 0.000 2.325 345 L HA 0.734 5.075 4.340 0.001 0.000 0.281 345 L C 0.132 176.985 176.870 -0.028 0.000 1.004 345 L CA -1.064 53.757 54.840 -0.032 0.000 0.823 345 L CB 1.793 43.833 42.059 -0.032 0.000 1.236 345 L HN 0.149 nan 8.230 nan 0.000 0.415 346 M N 6.623 126.215 119.600 -0.014 0.000 2.088 346 M HA 0.493 4.973 4.480 0.001 0.000 0.346 346 M C -2.516 173.762 176.300 -0.036 0.000 1.111 346 M CA -2.211 53.081 55.300 -0.014 0.000 1.017 346 M CB 1.094 33.698 32.600 0.006 0.000 1.568 346 M HN 0.083 nan 8.290 nan 0.000 0.445 347 P HA 0.091 nan 4.420 nan 0.000 0.271 347 P C -0.965 176.284 177.300 -0.085 0.000 1.218 347 P CA -0.393 62.675 63.100 -0.054 0.000 0.780 347 P CB 0.370 32.047 31.700 -0.038 0.000 0.901 348 V N 5.316 125.154 119.914 -0.126 0.000 2.479 348 V HA 0.115 4.236 4.120 0.001 0.000 0.281 348 V C -1.628 174.382 176.094 -0.140 0.000 1.031 348 V CA -1.188 60.979 62.300 -0.222 0.000 1.038 348 V CB -0.133 31.511 31.823 -0.299 0.000 0.981 348 V HN 0.596 nan 8.190 nan 0.000 0.478 349 P HA 0.129 nan 4.420 nan 0.000 0.267 349 P C -0.535 176.788 177.300 0.039 0.000 1.209 349 P CA -0.284 62.817 63.100 0.002 0.000 0.763 349 P CB 0.523 32.253 31.700 0.049 0.000 0.816 350 Q N 2.069 121.878 119.800 0.015 0.000 2.354 350 Q HA 0.584 4.924 4.340 0.001 0.000 0.244 350 Q C 0.345 176.358 176.000 0.023 0.000 0.969 350 Q CA -0.239 55.574 55.803 0.017 0.000 0.885 350 Q CB 0.588 29.325 28.738 -0.001 0.000 1.241 350 Q HN 0.806 nan 8.270 nan 0.000 0.461 351 G N 0.515 109.323 108.800 0.015 0.000 2.381 351 G HA2 0.050 4.011 3.960 0.001 0.000 0.672 351 G HA3 0.050 4.011 3.960 0.001 0.000 0.672 351 G C -3.004 171.878 174.900 -0.029 0.000 1.324 351 G CA -0.618 44.477 45.100 -0.009 0.000 0.975 351 G HN 0.743 nan 8.290 nan 0.000 0.593 352 P HA 0.456 nan 4.420 nan 0.000 0.274 352 P C 1.347 178.560 177.300 -0.145 0.000 1.231 352 P CA 1.551 64.594 63.100 -0.095 0.000 0.790 352 P CB 0.869 32.513 31.700 -0.092 0.000 0.951 353 G N 2.306 110.993 108.800 -0.188 0.000 2.651 353 G HA2 -0.378 3.583 3.960 0.001 0.000 0.315 353 G HA3 -0.378 3.583 3.960 0.001 0.000 0.315 353 G C 1.122 175.709 174.900 -0.523 0.000 1.258 353 G CA 1.463 46.400 45.100 -0.272 0.000 1.002 353 G HN 0.714 nan 8.290 nan 0.000 0.551 354 T N -0.755 113.487 114.554 -0.520 0.000 3.072 354 T HA 0.345 4.696 4.350 0.001 0.000 0.266 354 T C 2.635 177.177 174.700 -0.263 0.000 1.127 354 T CA 1.676 63.372 62.100 -0.673 0.000 1.107 354 T CB -0.383 68.179 68.868 -0.511 0.000 0.910 354 T HN 2.743 nan 8.240 nan 0.000 0.513 355 G N 0.883 109.592 108.800 -0.152 0.000 2.187 355 G HA2 -0.208 3.753 3.960 0.001 0.000 0.261 355 G HA3 -0.208 3.753 3.960 0.001 0.000 0.261 355 G C 0.199 175.097 174.900 -0.004 0.000 1.000 355 G CA 0.611 45.702 45.100 -0.015 0.000 0.718 355 G HN 1.606 nan 8.290 nan 0.000 0.519 356 V N -3.788 116.107 119.914 -0.033 0.000 3.046 356 V HA 1.003 5.124 4.120 0.001 0.000 0.316 356 V C -0.114 175.968 176.094 -0.019 0.000 1.104 356 V CA -0.229 62.062 62.300 -0.014 0.000 1.006 356 V CB 2.319 34.142 31.823 0.001 0.000 1.058 356 V HN 0.585 nan 8.190 nan 0.000 0.440 357 T N 3.420 117.972 114.554 -0.004 0.000 2.937 357 T HA 0.547 4.897 4.350 0.001 0.000 0.297 357 T C -0.389 174.318 174.700 0.013 0.000 0.991 357 T CA -0.409 61.692 62.100 0.001 0.000 0.990 357 T CB 1.212 70.081 68.868 0.003 0.000 0.991 357 T HN 0.771 nan 8.240 nan 0.000 0.440 358 L N 2.768 124.001 121.223 0.017 0.000 2.525 358 L HA 0.126 4.467 4.340 0.001 0.000 0.278 358 L C 0.727 177.623 176.870 0.042 0.000 1.218 358 L CA -0.096 54.762 54.840 0.029 0.000 0.878 358 L CB 0.324 42.398 42.059 0.026 0.000 1.127 358 L HN 0.653 nan 8.230 nan 0.000 0.492 359 D N 3.473 123.914 120.400 0.068 0.000 2.468 359 D HA 0.055 4.695 4.640 0.001 0.000 0.218 359 D C 1.040 177.400 176.300 0.099 0.000 1.155 359 D CA -0.324 53.730 54.000 0.091 0.000 0.924 359 D CB 0.677 41.555 40.800 0.130 0.000 1.029 359 D HN 0.301 nan 8.370 nan 0.000 0.515 360 R N 2.126 122.664 120.500 0.064 0.000 2.096 360 R HA -0.101 4.239 4.340 0.001 0.000 0.235 360 R C 1.581 177.906 176.300 0.042 0.000 1.127 360 R CA 0.595 56.721 56.100 0.044 0.000 0.968 360 R CB -0.213 30.108 30.300 0.036 0.000 0.861 360 R HN 0.483 nan 8.270 nan 0.000 0.440 361 E N 0.188 120.427 120.200 0.065 0.000 2.106 361 E HA -0.130 4.221 4.350 0.001 0.000 0.192 361 E C 1.694 178.344 176.600 0.083 0.000 0.984 361 E CA 0.753 57.190 56.400 0.062 0.000 0.806 361 E CB -0.218 29.524 29.700 0.069 0.000 0.750 361 E HN 0.193 nan 8.360 nan 0.000 0.458 362 F N 1.055 121.002 119.950 -0.004 0.000 2.113 362 F HA -0.152 4.375 4.527 0.000 0.000 0.297 362 F C 2.165 177.958 175.800 -0.013 0.000 1.103 362 F CA 1.031 59.027 58.000 -0.007 0.000 1.248 362 F CB -0.624 38.370 39.000 -0.010 0.000 0.999 362 F HN 0.094 nan 8.300 nan 0.000 0.475 363 L N 1.387 122.521 121.223 -0.148 0.000 2.021 363 L HA -0.173 4.167 4.340 0.001 0.000 0.215 363 L C 2.425 179.160 176.870 -0.225 0.000 1.074 363 L CA 2.337 57.040 54.840 -0.227 0.000 0.760 363 L CB -1.557 40.462 42.059 -0.067 0.000 0.889 363 L HN 0.202 nan 8.230 nan 0.000 0.433 364 A N -1.403 121.339 122.820 -0.130 0.000 1.978 364 A HA -0.228 4.093 4.320 0.001 0.000 0.220 364 A C 2.308 179.813 177.584 -0.131 0.000 1.170 364 A CA 2.205 54.183 52.037 -0.099 0.000 0.636 364 A CB -1.342 17.630 19.000 -0.047 0.000 0.810 364 A HN 0.678 nan 8.150 nan 0.000 0.448 365 T N -2.410 112.030 114.554 -0.190 0.000 3.035 365 T HA 0.038 4.388 4.350 0.001 0.000 0.268 365 T C 1.038 175.608 174.700 -0.216 0.000 1.109 365 T CA 1.362 63.357 62.100 -0.175 0.000 1.119 365 T CB -0.425 68.359 68.868 -0.141 0.000 0.900 365 T HN 0.855 nan 8.240 nan 0.000 0.503 366 V N -2.160 117.569 119.914 -0.309 0.000 3.159 366 V HA 0.413 4.534 4.120 0.001 0.000 0.333 366 V C 0.253 176.250 176.094 -0.161 0.000 1.424 366 V CA -0.693 61.463 62.300 -0.240 0.000 1.125 366 V CB -0.498 31.120 31.823 -0.343 0.000 1.075 366 V HN 0.190 nan 8.190 nan 0.000 0.482 367 T N 1.562 116.033 114.554 -0.138 0.000 2.761 367 T HA 0.277 4.628 4.350 0.001 0.000 0.296 367 T C 0.882 175.540 174.700 -0.071 0.000 0.934 367 T CA 0.384 62.427 62.100 -0.095 0.000 1.091 367 T CB 1.810 70.630 68.868 -0.079 0.000 0.896 367 T HN 0.523 nan 8.240 nan 0.000 0.515 368 E N 2.530 122.694 120.200 -0.059 0.000 2.086 368 E HA 0.315 4.666 4.350 0.001 0.000 0.190 368 E C 0.433 177.010 176.600 -0.038 0.000 0.975 368 E CA 0.429 56.800 56.400 -0.049 0.000 0.813 368 E CB 0.319 29.994 29.700 -0.043 0.000 0.768 368 E HN 0.786 nan 8.360 nan 0.000 0.457 369 A N 0.084 122.885 122.820 -0.032 0.000 2.566 369 A HA 0.574 4.895 4.320 0.001 0.000 0.297 369 A C -1.555 176.018 177.584 -0.017 0.000 1.059 369 A CA -0.803 51.220 52.037 -0.023 0.000 0.691 369 A CB 1.218 20.208 19.000 -0.017 0.000 1.282 369 A HN 0.114 nan 8.150 nan 0.000 0.401 370 Q N 0.967 120.758 119.800 -0.015 0.000 2.462 370 Q HA 0.801 5.142 4.340 0.001 0.000 0.285 370 Q C -1.291 174.702 176.000 -0.012 0.000 1.035 370 Q CA -0.762 55.037 55.803 -0.006 0.000 0.799 370 Q CB 2.306 31.038 28.738 -0.009 0.000 1.452 370 Q HN 0.920 nan 8.270 nan 0.000 0.404 371 E N 0.363 120.560 120.200 -0.005 0.000 2.388 371 E HA 0.457 4.807 4.350 0.001 0.000 0.280 371 E C -1.631 174.933 176.600 -0.059 0.000 1.019 371 E CA -0.883 55.482 56.400 -0.058 0.000 0.806 371 E CB 2.353 32.019 29.700 -0.056 0.000 1.246 371 E HN 0.655 nan 8.360 nan 0.000 0.443 372 E N 1.303 121.396 120.200 -0.178 0.000 2.248 372 E HA 0.326 4.676 4.350 0.001 0.000 0.267 372 E C -1.363 175.067 176.600 -0.283 0.000 0.877 372 E CA -0.703 55.633 56.400 -0.107 0.000 0.759 372 E CB 1.486 31.156 29.700 -0.049 0.000 1.182 372 E HN 0.512 nan 8.360 nan 0.000 0.418 373 H N 2.848 121.945 119.070 0.044 0.000 2.637 373 H HA 0.541 5.097 4.556 0.001 0.000 0.363 373 H C -0.255 175.104 175.328 0.050 0.000 1.131 373 H CA -0.750 55.323 56.048 0.041 0.000 1.183 373 H CB 1.831 31.618 29.762 0.042 0.000 1.637 373 H HN 0.406 nan 8.280 nan 0.000 0.531 374 R N 0.381 120.971 120.500 0.150 0.000 2.905 374 R HA 0.641 4.982 4.340 0.001 0.000 0.260 374 R C -0.295 176.064 176.300 0.099 0.000 1.086 374 R CA -0.945 55.218 56.100 0.105 0.000 0.978 374 R CB 1.993 32.328 30.300 0.059 0.000 1.215 374 R HN 0.639 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.867 122.820 0.078 0.000 2.254 375 A HA 0.000 4.321 4.320 0.001 0.000 0.244 375 A CA 0.000 52.076 52.037 0.065 0.000 0.836 375 A CB 0.000 19.030 19.000 0.050 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486