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 2e1t_1_B DATA FIRST_RESID 6 DATA SEQUENCE ILTVLEQSQV SPPPDTLGDK SLQLTFFDFF WLRSPPINNL FFYELPITRS DATA SEQUENCE QFTETVVPNI KHSLSITLKH FYPFVGKLVV YPAPTKKPEI CYVEGDSVAV DATA SEQUENCE TFAECNLDLN ELTGNHPRNc DKFYDLVPIL GESTRLSDCI KIPLFSVQVT DATA SEQUENCE LFPNQGIAIG ITNHHCLGDA STRFCFLKAW TSIARSGNND ESFLANGTRP DATA SEQUENCE LYDRIIKYPM LDEAYLKRAK VESFNEDYVT QSLAGPSDKL RATFILTRAV DATA SEQUENCE INQLKDRVLA QLPTLEYVSS FTVACAYIWS CIAKSRNDKL QLFGFPIDRR DATA SEQUENCE ARMKPPIPTA YFGNCVGGCA AIAKTNLLIG KEGFITAAKL IGENLHKTLT DATA SEQUENCE DYKDGVLKDX XXXXNDLVSE GMPTTMTWVS GTPKLRFYDM DFGWGKPKKL DATA SEQUENCE ETVSIDHNGA ISINSCKESN EDLEIGVcIS ATQMEDFVHI FDDGL 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 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.063 176.117 -0.089 0.000 1.063 6 I CA 0.000 61.266 61.300 -0.057 0.000 1.566 6 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 7 L N 7.218 128.393 121.223 -0.080 0.000 2.292 7 L HA 0.669 5.009 4.340 -0.001 0.000 0.284 7 L C -0.382 176.448 176.870 -0.067 0.000 1.065 7 L CA 0.345 55.127 54.840 -0.096 0.000 0.806 7 L CB 1.700 43.715 42.059 -0.074 0.000 1.175 7 L HN 0.641 nan 8.230 nan 0.000 0.431 8 T N 4.100 118.608 114.554 -0.077 0.000 2.770 8 T HA 0.376 4.726 4.350 -0.001 0.000 0.283 8 T C -0.433 174.253 174.700 -0.024 0.000 0.988 8 T CA -0.428 61.645 62.100 -0.045 0.000 0.957 8 T CB 1.326 70.165 68.868 -0.050 0.000 0.930 8 T HN 0.274 nan 8.240 nan 0.000 0.443 9 V N 5.783 125.698 119.914 0.002 0.000 2.439 9 V HA 0.133 4.252 4.120 -0.001 0.000 0.271 9 V C 1.277 177.405 176.094 0.056 0.000 1.040 9 V CA 0.100 62.420 62.300 0.034 0.000 1.002 9 V CB 0.246 32.090 31.823 0.035 0.000 1.000 9 V HN 0.847 nan 8.190 nan 0.000 0.477 10 L N 3.121 124.404 121.223 0.100 0.000 2.127 10 L HA 0.291 4.630 4.340 -0.001 0.000 0.203 10 L C 1.036 177.979 176.870 0.122 0.000 1.080 10 L CA 0.971 55.880 54.840 0.115 0.000 0.768 10 L CB 0.154 42.315 42.059 0.168 0.000 0.924 10 L HN 0.659 nan 8.230 nan 0.000 0.444 11 E N -0.251 120.063 120.200 0.190 0.000 2.335 11 E HA 0.183 4.533 4.350 -0.001 0.000 0.280 11 E C -1.303 175.432 176.600 0.224 0.000 0.918 11 E CA -0.552 55.961 56.400 0.187 0.000 0.765 11 E CB 1.539 31.338 29.700 0.164 0.000 1.218 11 E HN -0.065 nan 8.360 nan 0.000 0.425 12 Q N 2.337 122.223 119.800 0.143 0.000 2.466 12 Q HA 0.273 4.613 4.340 -0.001 0.000 0.242 12 Q C -0.609 175.462 176.000 0.118 0.000 1.046 12 Q CA -0.290 55.579 55.803 0.110 0.000 0.841 12 Q CB 1.527 30.304 28.738 0.064 0.000 1.193 12 Q HN 0.579 nan 8.270 nan 0.000 0.508 13 S N 2.242 118.037 115.700 0.158 0.000 2.704 13 S HA 0.637 5.107 4.470 -0.001 0.000 0.305 13 S C -0.328 174.334 174.600 0.103 0.000 1.107 13 S CA -0.701 57.592 58.200 0.156 0.000 0.993 13 S CB 2.159 65.522 63.200 0.272 0.000 1.110 13 S HN 0.327 nan 8.310 nan 0.000 0.534 14 Q N 0.889 120.745 119.800 0.093 0.000 2.321 14 Q HA 0.542 4.882 4.340 -0.001 0.000 0.270 14 Q C -1.433 174.620 176.000 0.088 0.000 1.032 14 Q CA -0.626 55.222 55.803 0.074 0.000 0.784 14 Q CB 2.078 30.852 28.738 0.061 0.000 1.264 14 Q HN 0.618 nan 8.270 nan 0.000 0.448 15 V N 1.738 121.705 119.914 0.089 0.000 2.417 15 V HA 0.512 4.631 4.120 -0.001 0.000 0.291 15 V C -0.038 176.114 176.094 0.096 0.000 1.024 15 V CA -0.316 62.041 62.300 0.095 0.000 0.861 15 V CB 1.850 33.732 31.823 0.098 0.000 0.985 15 V HN 0.680 nan 8.190 nan 0.000 0.436 16 S N 5.602 121.358 115.700 0.093 0.000 2.704 16 S HA 0.704 5.174 4.470 -0.001 0.000 0.305 16 S C -2.602 172.044 174.600 0.076 0.000 1.107 16 S CA -1.183 57.081 58.200 0.107 0.000 0.993 16 S CB 2.196 65.465 63.200 0.114 0.000 1.110 16 S HN 0.578 nan 8.310 nan 0.000 0.534 17 P HA 0.316 nan 4.420 nan 0.000 0.272 17 P C -2.673 174.647 177.300 0.034 0.000 1.240 17 P CA -1.309 61.797 63.100 0.009 0.000 0.791 17 P CB -0.725 30.937 31.700 -0.064 0.000 0.978 18 P HA 0.127 nan 4.420 nan 0.000 0.268 18 P C -2.312 175.008 177.300 0.034 0.000 1.208 18 P CA -0.762 62.360 63.100 0.037 0.000 0.777 18 P CB -1.282 30.438 31.700 0.034 0.000 0.875 19 P HA -0.053 nan 4.420 nan 0.000 0.262 19 P C -0.406 176.908 177.300 0.024 0.000 1.182 19 P CA 0.877 63.995 63.100 0.031 0.000 0.761 19 P CB -0.062 31.653 31.700 0.024 0.000 0.795 20 D N 0.958 121.372 120.400 0.024 0.000 2.718 20 D HA -0.126 4.514 4.640 -0.001 0.000 0.242 20 D C 0.784 177.089 176.300 0.009 0.000 1.123 20 D CA 1.613 55.623 54.000 0.016 0.000 0.690 20 D CB -1.420 39.387 40.800 0.012 0.000 1.059 20 D HN 0.553 nan 8.370 nan 0.000 0.429 21 T N -3.493 111.065 114.554 0.007 0.000 3.321 21 T HA 0.243 4.593 4.350 -0.001 0.000 0.251 21 T C 0.922 175.608 174.700 -0.023 0.000 0.999 21 T CA -0.347 61.743 62.100 -0.016 0.000 1.186 21 T CB 0.756 69.599 68.868 -0.041 0.000 1.163 21 T HN 0.153 nan 8.240 nan 0.000 0.399 22 L N 2.525 123.743 121.223 -0.008 0.000 2.275 22 L HA 0.702 5.042 4.340 -0.001 0.000 0.288 22 L C 0.773 177.709 176.870 0.110 0.000 1.046 22 L CA -0.818 54.018 54.840 -0.007 0.000 0.805 22 L CB 1.253 43.238 42.059 -0.124 0.000 1.193 22 L HN 0.603 nan 8.230 nan 0.000 0.426 23 G N 2.250 111.079 108.800 0.049 0.000 2.543 23 G HA2 0.165 4.125 3.960 -0.001 0.000 0.290 23 G HA3 0.165 4.125 3.960 -0.001 0.000 0.290 23 G C -0.801 174.161 174.900 0.103 0.000 1.310 23 G CA -0.640 44.491 45.100 0.052 0.000 1.025 23 G HN 0.586 nan 8.290 nan 0.000 0.502 24 D N 0.043 120.448 120.400 0.009 0.000 2.493 24 D HA 0.325 4.964 4.640 -0.001 0.000 0.240 24 D C 0.188 176.469 176.300 -0.032 0.000 1.142 24 D CA 1.011 54.995 54.000 -0.027 0.000 0.872 24 D CB 0.779 41.537 40.800 -0.070 0.000 1.173 24 D HN 0.177 nan 8.370 nan 0.000 0.467 25 K N 0.850 121.247 120.400 -0.005 0.000 2.523 25 K HA 0.475 4.794 4.320 -0.001 0.000 0.257 25 K C -1.046 175.543 176.600 -0.018 0.000 0.932 25 K CA -0.689 55.484 56.287 -0.190 0.000 0.812 25 K CB 2.043 34.105 32.500 -0.730 0.000 1.326 25 K HN 0.228 nan 8.250 nan 0.000 0.433 26 S N 1.448 117.145 115.700 -0.004 0.000 2.578 26 S HA 0.618 5.088 4.470 -0.001 0.000 0.301 26 S C -1.515 173.201 174.600 0.193 0.000 1.091 26 S CA -0.686 57.584 58.200 0.116 0.000 1.032 26 S CB 1.068 64.313 63.200 0.074 0.000 1.064 26 S HN 0.418 nan 8.310 nan 0.000 0.508 27 L N 3.146 124.477 121.223 0.180 0.000 2.404 27 L HA 0.470 4.810 4.340 -0.001 0.000 0.272 27 L C -0.965 175.978 176.870 0.122 0.000 0.980 27 L CA -0.374 54.544 54.840 0.130 0.000 0.836 27 L CB 1.614 43.681 42.059 0.014 0.000 1.238 27 L HN 0.460 nan 8.230 nan 0.000 0.408 28 Q N 4.361 124.237 119.800 0.126 0.000 2.340 28 Q HA 0.484 4.824 4.340 -0.001 0.000 0.249 28 Q C -0.801 175.268 176.000 0.116 0.000 0.957 28 Q CA 0.025 55.912 55.803 0.140 0.000 0.882 28 Q CB 1.610 30.429 28.738 0.136 0.000 1.235 28 Q HN 0.639 nan 8.270 nan 0.000 0.439 29 L N 0.475 121.755 121.223 0.094 0.000 2.313 29 L HA 0.614 4.953 4.340 -0.001 0.000 0.268 29 L C 0.696 177.355 176.870 -0.352 0.000 1.010 29 L CA -0.858 53.921 54.840 -0.102 0.000 0.814 29 L CB 1.833 43.815 42.059 -0.130 0.000 1.304 29 L HN 0.713 nan 8.230 nan 0.000 0.441 30 T N -3.171 111.088 114.554 -0.491 0.000 2.938 30 T HA 0.345 4.695 4.350 -0.001 0.000 0.285 30 T C 0.896 175.107 174.700 -0.815 0.000 1.028 30 T CA -0.566 61.256 62.100 -0.464 0.000 1.005 30 T CB 0.942 69.687 68.868 -0.205 0.000 1.157 30 T HN 0.493 nan 8.240 nan 0.000 0.550 31 F N -0.418 119.276 119.950 -0.427 0.000 2.202 31 F HA 0.069 4.596 4.527 -0.001 0.000 0.301 31 F C 1.595 177.157 175.800 -0.397 0.000 1.082 31 F CA 0.618 58.395 58.000 -0.371 0.000 1.313 31 F CB -1.217 37.432 39.000 -0.585 0.000 1.024 31 F HN 0.388 nan 8.300 nan 0.000 0.495 32 F N 1.632 120.928 119.950 -1.089 0.000 2.216 32 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 32 F C 2.166 177.900 175.800 -0.110 0.000 1.085 32 F CA 1.382 59.005 58.000 -0.629 0.000 1.326 32 F CB -0.754 37.883 39.000 -0.606 0.000 1.027 32 F HN 0.083 nan 8.300 nan 0.000 0.497 33 D N -0.834 119.577 120.400 0.017 0.000 2.162 33 D HA -0.090 4.550 4.640 -0.001 0.000 0.205 33 D C 2.199 178.650 176.300 0.252 0.000 0.964 33 D CA 0.910 55.003 54.000 0.155 0.000 0.847 33 D CB -0.452 40.329 40.800 -0.032 0.000 0.988 33 D HN 0.166 nan 8.370 nan 0.000 0.480 34 F N 0.890 120.957 119.950 0.194 0.000 2.216 34 F HA -0.076 4.450 4.527 -0.001 0.000 0.300 34 F C 2.161 178.065 175.800 0.173 0.000 1.085 34 F CA -0.120 57.982 58.000 0.171 0.000 1.326 34 F CB -1.260 37.848 39.000 0.180 0.000 1.027 34 F HN -0.090 nan 8.300 nan 0.000 0.497 35 F N -0.649 119.405 119.950 0.173 0.000 2.192 35 F HA -0.246 4.281 4.527 -0.001 0.000 0.301 35 F C 1.372 176.997 175.800 -0.292 0.000 1.079 35 F CA 1.549 59.492 58.000 -0.096 0.000 1.303 35 F CB -0.548 38.230 39.000 -0.370 0.000 1.024 35 F HN -0.045 nan 8.300 nan 0.000 0.494 36 W N -0.742 120.643 121.300 0.142 0.000 3.330 36 W HA 0.204 4.864 4.660 -0.001 0.000 0.348 36 W C 1.582 178.186 176.519 0.142 0.000 1.205 36 W CA -0.546 56.818 57.345 0.032 0.000 1.841 36 W CB -0.343 29.129 29.460 0.021 0.000 1.084 36 W HN -0.057 nan 8.180 nan 0.000 0.665 37 L N 0.986 122.385 121.223 0.293 0.000 2.081 37 L HA -0.156 4.184 4.340 -0.001 0.000 0.212 37 L C 1.858 178.992 176.870 0.440 0.000 1.080 37 L CA 1.934 56.945 54.840 0.285 0.000 0.754 37 L CB -0.100 42.005 42.059 0.076 0.000 0.893 37 L HN -0.044 nan 8.230 nan 0.000 0.433 38 R N -1.102 119.590 120.500 0.320 0.000 2.552 38 R HA 0.193 4.532 4.340 -0.001 0.000 0.314 38 R C 0.383 176.803 176.300 0.199 0.000 1.041 38 R CA 0.182 56.478 56.100 0.327 0.000 1.076 38 R CB 0.034 30.458 30.300 0.206 0.000 1.290 38 R HN 0.361 nan 8.270 nan 0.000 0.563 39 S N 1.157 116.976 115.700 0.198 0.000 2.601 39 S HA 0.388 4.857 4.470 -0.001 0.000 0.271 39 S C -1.909 172.683 174.600 -0.014 0.000 1.305 39 S CA -1.305 56.964 58.200 0.114 0.000 1.022 39 S CB 1.045 64.396 63.200 0.251 0.000 0.940 39 S HN -0.017 nan 8.310 nan 0.000 0.525 40 P HA 0.418 nan 4.420 nan 0.000 0.276 40 P C -2.793 174.361 177.300 -0.243 0.000 1.252 40 P CA -1.623 61.348 63.100 -0.214 0.000 0.802 40 P CB -0.891 30.515 31.700 -0.490 0.000 1.035 41 P HA 0.237 nan 4.420 nan 0.000 0.272 41 P C -0.422 176.773 177.300 -0.175 0.000 1.230 41 P CA 0.071 63.067 63.100 -0.173 0.000 0.788 41 P CB 0.179 31.826 31.700 -0.088 0.000 0.949 42 I N 2.521 123.004 120.570 -0.146 0.000 2.331 42 I HA 0.236 4.406 4.170 -0.001 0.000 0.292 42 I C 0.278 176.349 176.117 -0.077 0.000 0.998 42 I CA 0.074 61.293 61.300 -0.135 0.000 1.267 42 I CB 0.379 38.261 38.000 -0.196 0.000 1.386 42 I HN 0.138 nan 8.210 nan 0.000 0.476 43 N N 6.375 125.039 118.700 -0.060 0.000 2.443 43 N HA 0.386 5.126 4.740 -0.001 0.000 0.269 43 N C -1.106 174.381 175.510 -0.037 0.000 0.985 43 N CA -0.603 52.436 53.050 -0.019 0.000 0.921 43 N CB 1.604 40.097 38.487 0.011 0.000 1.195 43 N HN 0.512 nan 8.380 nan 0.000 0.492 44 N N 1.921 120.605 118.700 -0.027 0.000 2.269 44 N HA 0.514 5.254 4.740 -0.001 0.000 0.304 44 N C -0.859 174.594 175.510 -0.095 0.000 1.072 44 N CA -0.381 52.597 53.050 -0.120 0.000 0.802 44 N CB 2.454 40.832 38.487 -0.183 0.000 1.348 44 N HN 0.308 nan 8.380 nan 0.000 0.484 45 L N 1.946 123.018 121.223 -0.252 0.000 2.365 45 L HA 0.568 4.908 4.340 -0.001 0.000 0.273 45 L C -1.119 175.444 176.870 -0.510 0.000 1.000 45 L CA -0.738 53.950 54.840 -0.253 0.000 0.819 45 L CB 1.337 43.279 42.059 -0.194 0.000 1.284 45 L HN 0.412 nan 8.230 nan 0.000 0.418 46 F N 2.331 122.160 119.950 -0.201 0.000 2.460 46 F HA 0.461 4.988 4.527 -0.001 0.000 0.341 46 F C -0.398 175.235 175.800 -0.279 0.000 1.130 46 F CA -0.457 57.439 58.000 -0.174 0.000 0.962 46 F CB 1.228 40.248 39.000 0.033 0.000 1.171 46 F HN 0.132 nan 8.300 nan 0.000 0.436 47 F N 2.828 122.751 119.950 -0.046 0.000 2.420 47 F HA 0.508 5.034 4.527 -0.001 0.000 0.342 47 F C -0.616 175.074 175.800 -0.184 0.000 1.113 47 F CA -0.965 57.018 58.000 -0.028 0.000 1.059 47 F CB 0.944 39.903 39.000 -0.068 0.000 1.128 47 F HN 0.304 nan 8.300 nan 0.000 0.475 48 Y N 0.868 121.363 120.300 0.325 0.000 2.409 48 Y HA 0.383 4.933 4.550 -0.001 0.000 0.343 48 Y C -0.249 175.755 175.900 0.174 0.000 0.973 48 Y CA -1.125 57.152 58.100 0.294 0.000 1.064 48 Y CB 1.506 40.229 38.460 0.439 0.000 1.207 48 Y HN 0.492 nan 8.280 nan 0.000 0.452 49 E N 4.727 125.095 120.200 0.279 0.000 2.167 49 E HA 0.619 4.969 4.350 -0.001 0.000 0.284 49 E C -1.354 175.345 176.600 0.166 0.000 1.016 49 E CA -0.617 55.879 56.400 0.159 0.000 0.817 49 E CB 1.122 30.884 29.700 0.102 0.000 1.080 49 E HN 0.552 nan 8.360 nan 0.000 0.397 50 L N 1.013 122.297 121.223 0.102 0.000 2.787 50 L HA 0.405 4.745 4.340 -0.001 0.000 0.260 50 L C -2.796 174.092 176.870 0.029 0.000 0.921 50 L CA -1.882 53.000 54.840 0.071 0.000 0.984 50 L CB 1.794 43.893 42.059 0.066 0.000 1.519 50 L HN 0.191 nan 8.230 nan 0.000 0.452 51 P HA 0.169 nan 4.420 nan 0.000 0.232 51 P C -0.040 177.265 177.300 0.009 0.000 1.738 51 P CA 0.347 63.459 63.100 0.020 0.000 0.948 51 P CB 0.019 31.733 31.700 0.023 0.000 1.943 52 I N 1.348 121.914 120.570 -0.005 0.000 2.474 52 I HA 0.172 4.342 4.170 -0.001 0.000 0.287 52 I C 0.725 176.839 176.117 -0.005 0.000 1.048 52 I CA -0.101 61.192 61.300 -0.010 0.000 1.383 52 I CB 1.252 39.227 38.000 -0.041 0.000 1.412 52 I HN 0.070 nan 8.210 nan 0.000 0.531 53 T N 3.382 117.943 114.554 0.011 0.000 2.881 53 T HA 0.394 4.744 4.350 -0.001 0.000 0.278 53 T C 1.161 175.881 174.700 0.032 0.000 0.982 53 T CA -0.554 61.552 62.100 0.010 0.000 0.989 53 T CB 1.144 70.020 68.868 0.014 0.000 1.058 53 T HN 0.668 nan 8.240 nan 0.000 0.529 54 R N 0.460 120.969 120.500 0.016 0.000 2.081 54 R HA -0.048 4.292 4.340 -0.001 0.000 0.235 54 R C 2.883 179.244 176.300 0.102 0.000 1.131 54 R CA 1.564 57.695 56.100 0.052 0.000 0.960 54 R CB -0.823 29.482 30.300 0.009 0.000 0.856 54 R HN 0.615 nan 8.270 nan 0.000 0.436 55 S N 1.058 116.790 115.700 0.053 0.000 2.359 55 S HA -0.244 4.226 4.470 -0.001 0.000 0.224 55 S C 1.976 176.598 174.600 0.038 0.000 1.035 55 S CA 1.451 59.673 58.200 0.036 0.000 1.018 55 S CB -0.216 62.995 63.200 0.018 0.000 0.876 55 S HN 0.311 nan 8.310 nan 0.000 0.448 56 Q N -0.046 119.782 119.800 0.047 0.000 2.050 56 Q HA -0.092 4.247 4.340 -0.001 0.000 0.202 56 Q C 1.848 177.876 176.000 0.047 0.000 0.980 56 Q CA 1.448 57.273 55.803 0.037 0.000 0.840 56 Q CB -0.313 28.446 28.738 0.035 0.000 0.898 56 Q HN 0.517 nan 8.270 nan 0.000 0.424 57 F N 0.358 120.263 119.950 -0.075 0.000 2.065 57 F HA -0.286 4.240 4.527 -0.001 0.000 0.298 57 F C 2.125 177.869 175.800 -0.093 0.000 1.112 57 F CA 2.123 60.068 58.000 -0.092 0.000 1.212 57 F CB -0.732 38.219 39.000 -0.081 0.000 0.975 57 F HN 0.030 nan 8.300 nan 0.000 0.476 58 T N -0.423 114.116 114.554 -0.025 0.000 2.788 58 T HA -0.160 4.189 4.350 -0.001 0.000 0.268 58 T C 1.659 176.259 174.700 -0.167 0.000 1.044 58 T CA 1.685 63.697 62.100 -0.147 0.000 1.139 58 T CB -0.207 68.646 68.868 -0.025 0.000 0.867 58 T HN 0.175 nan 8.240 nan 0.000 0.454 59 E N 0.399 120.541 120.200 -0.095 0.000 2.076 59 E HA -0.024 4.325 4.350 -0.001 0.000 0.190 59 E C 2.536 179.088 176.600 -0.080 0.000 0.979 59 E CA 1.463 57.819 56.400 -0.075 0.000 0.807 59 E CB -0.071 29.609 29.700 -0.035 0.000 0.761 59 E HN 0.693 nan 8.360 nan 0.000 0.454 60 T N -3.415 111.090 114.554 -0.082 0.000 3.098 60 T HA 0.114 4.464 4.350 -0.001 0.000 0.246 60 T C 1.973 176.628 174.700 -0.075 0.000 0.983 60 T CA 0.364 62.434 62.100 -0.050 0.000 1.094 60 T CB -0.543 68.329 68.868 0.007 0.000 1.035 60 T HN -0.064 nan 8.240 nan 0.000 0.456 61 V N 2.340 122.162 119.914 -0.153 0.000 2.261 61 V HA -0.150 3.970 4.120 -0.001 0.000 0.246 61 V C 2.901 178.840 176.094 -0.258 0.000 1.047 61 V CA 1.779 63.973 62.300 -0.176 0.000 1.015 61 V CB -0.864 30.758 31.823 -0.336 0.000 0.642 61 V HN 0.379 nan 8.190 nan 0.000 0.446 62 V N 0.411 119.990 119.914 -0.558 0.000 2.255 62 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 62 V C 0.176 176.059 176.094 -0.353 0.000 1.051 62 V CA 2.723 64.585 62.300 -0.729 0.000 1.018 62 V CB -2.034 29.170 31.823 -1.032 0.000 0.641 62 V HN 0.521 nan 8.190 nan 0.000 0.445 63 P HA -0.075 nan 4.420 nan 0.000 0.217 63 P C 1.258 178.592 177.300 0.056 0.000 1.150 63 P CA 1.250 64.302 63.100 -0.080 0.000 0.832 63 P CB -0.126 31.529 31.700 -0.075 0.000 0.787 64 N N -0.644 118.099 118.700 0.072 0.000 2.142 64 N HA -0.095 4.645 4.740 -0.001 0.000 0.186 64 N C 1.715 177.365 175.510 0.234 0.000 1.023 64 N CA 0.977 54.122 53.050 0.160 0.000 0.852 64 N CB -0.792 37.782 38.487 0.144 0.000 0.998 64 N HN 0.064 nan 8.380 nan 0.000 0.424 65 I N 1.706 122.426 120.570 0.250 0.000 2.142 65 I HA -0.243 3.927 4.170 -0.001 0.000 0.240 65 I C 1.942 178.311 176.117 0.420 0.000 1.078 65 I CA 1.268 62.806 61.300 0.397 0.000 1.343 65 I CB -0.765 37.521 38.000 0.476 0.000 1.046 65 I HN 0.181 nan 8.210 nan 0.000 0.405 66 K N -0.585 120.020 120.400 0.341 0.000 2.032 66 K HA -0.256 4.064 4.320 -0.001 0.000 0.209 66 K C 2.276 179.025 176.600 0.249 0.000 1.048 66 K CA 1.579 58.028 56.287 0.270 0.000 0.927 66 K CB -0.345 32.264 32.500 0.182 0.000 0.712 66 K HN 0.278 nan 8.250 nan 0.000 0.441 67 H N 0.926 120.067 119.070 0.117 0.000 2.333 67 H HA -0.036 4.520 4.556 -0.001 0.000 0.302 67 H C 2.110 177.496 175.328 0.097 0.000 1.075 67 H CA 1.885 57.983 56.048 0.084 0.000 1.348 67 H CB -0.321 29.479 29.762 0.064 0.000 1.393 67 H HN 0.186 nan 8.280 nan 0.000 0.509 68 S N 0.131 115.938 115.700 0.179 0.000 2.382 68 S HA -0.141 4.329 4.470 -0.001 0.000 0.228 68 S C 2.274 176.928 174.600 0.089 0.000 1.027 68 S CA 1.260 59.548 58.200 0.146 0.000 0.991 68 S CB -0.785 62.599 63.200 0.307 0.000 0.823 68 S HN 0.316 nan 8.310 nan 0.000 0.469 69 L N 2.067 123.326 121.223 0.060 0.000 2.027 69 L HA 0.032 4.372 4.340 -0.001 0.000 0.206 69 L C 2.672 179.435 176.870 -0.179 0.000 1.074 69 L CA 2.098 56.700 54.840 -0.395 0.000 0.745 69 L CB -1.450 40.399 42.059 -0.351 0.000 0.898 69 L HN 0.429 nan 8.230 nan 0.000 0.433 70 S N -0.467 115.227 115.700 -0.010 0.000 2.368 70 S HA -0.260 4.210 4.470 -0.001 0.000 0.226 70 S C 2.054 176.643 174.600 -0.019 0.000 1.044 70 S CA 2.194 60.410 58.200 0.028 0.000 1.062 70 S CB -0.512 62.762 63.200 0.122 0.000 0.931 70 S HN 0.497 nan 8.310 nan 0.000 0.440 71 I N 0.784 121.336 120.570 -0.029 0.000 2.179 71 I HA -0.159 4.011 4.170 -0.001 0.000 0.242 71 I C 2.585 178.656 176.117 -0.075 0.000 1.088 71 I CA 1.566 62.831 61.300 -0.059 0.000 1.357 71 I CB -0.871 37.084 38.000 -0.076 0.000 1.051 71 I HN 0.333 nan 8.210 nan 0.000 0.409 72 T N 1.569 116.058 114.554 -0.109 0.000 2.720 72 T HA -0.173 4.177 4.350 -0.001 0.000 0.268 72 T C 1.925 176.642 174.700 0.029 0.000 1.037 72 T CA 1.355 63.379 62.100 -0.126 0.000 1.144 72 T CB -0.439 68.138 68.868 -0.485 0.000 0.864 72 T HN 0.261 nan 8.240 nan 0.000 0.444 73 L N 1.309 122.518 121.223 -0.024 0.000 2.131 73 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 73 L C 2.684 179.533 176.870 -0.035 0.000 1.092 73 L CA 1.338 56.197 54.840 0.032 0.000 0.759 73 L CB -0.647 41.411 42.059 -0.002 0.000 0.903 73 L HN 0.414 nan 8.230 nan 0.000 0.435 74 K N -0.774 119.536 120.400 -0.149 0.000 2.280 74 K HA -0.183 4.137 4.320 -0.001 0.000 0.202 74 K C 1.617 178.055 176.600 -0.270 0.000 1.047 74 K CA 1.336 57.466 56.287 -0.261 0.000 0.942 74 K CB -0.193 32.113 32.500 -0.324 0.000 0.739 74 K HN 0.428 nan 8.250 nan 0.000 0.457 75 H N -0.807 118.316 119.070 0.088 0.000 2.547 75 H HA 0.127 4.682 4.556 -0.001 0.000 0.272 75 H C -0.097 175.181 175.328 -0.082 0.000 0.971 75 H CA 0.361 56.441 56.048 0.052 0.000 1.245 75 H CB 0.226 30.056 29.762 0.113 0.000 1.440 75 H HN 0.145 nan 8.280 nan 0.000 0.540 76 F N 1.782 121.826 119.950 0.157 0.000 2.471 76 F HA 0.099 4.625 4.527 -0.001 0.000 0.318 76 F C 1.023 176.818 175.800 -0.007 0.000 1.308 76 F CA -1.061 57.016 58.000 0.128 0.000 1.162 76 F CB -0.074 38.988 39.000 0.104 0.000 1.383 76 F HN 0.021 nan 8.300 nan 0.000 0.552 77 Y N 0.337 120.584 120.300 -0.088 0.000 2.207 77 Y HA -0.036 4.513 4.550 -0.001 0.000 0.287 77 Y C -1.292 174.517 175.900 -0.152 0.000 1.156 77 Y CA 0.786 58.724 58.100 -0.269 0.000 1.182 77 Y CB -2.114 36.084 38.460 -0.437 0.000 0.979 77 Y HN 0.152 nan 8.280 nan 0.000 0.521 78 P HA -0.129 nan 4.420 nan 0.000 0.220 78 P C 1.095 178.355 177.300 -0.067 0.000 1.148 78 P CA 1.436 64.331 63.100 -0.342 0.000 0.803 78 P CB -0.295 31.107 31.700 -0.497 0.000 0.782 79 F N -1.121 118.730 119.950 -0.165 0.000 2.269 79 F HA -0.087 4.440 4.527 -0.001 0.000 0.301 79 F C 2.117 177.882 175.800 -0.059 0.000 1.082 79 F CA 1.132 58.964 58.000 -0.280 0.000 1.360 79 F CB -0.786 37.743 39.000 -0.784 0.000 1.041 79 F HN -0.178 nan 8.300 nan 0.000 0.512 80 V N -1.026 118.978 119.914 0.151 0.000 3.578 80 V HA 0.431 4.551 4.120 -0.001 0.000 0.290 80 V C 1.072 177.327 176.094 0.267 0.000 1.376 80 V CA 0.402 62.820 62.300 0.198 0.000 1.083 80 V CB -0.673 31.239 31.823 0.148 0.000 0.911 80 V HN 0.142 nan 8.190 nan 0.000 0.433 81 G N 0.199 109.121 108.800 0.202 0.000 2.532 81 G HA2 0.481 4.441 3.960 -0.001 0.000 0.291 81 G HA3 0.481 4.441 3.960 -0.001 0.000 0.291 81 G C -0.773 174.181 174.900 0.090 0.000 1.349 81 G CA -0.680 44.541 45.100 0.201 0.000 1.038 81 G HN 0.402 nan 8.290 nan 0.000 0.518 82 K N -0.965 119.465 120.400 0.050 0.000 2.375 82 K HA 0.402 4.722 4.320 -0.001 0.000 0.249 82 K C -1.267 175.301 176.600 -0.053 0.000 0.942 82 K CA -0.845 55.435 56.287 -0.012 0.000 0.806 82 K CB 2.550 35.036 32.500 -0.023 0.000 1.227 82 K HN 0.273 nan 8.250 nan 0.000 0.430 83 L N 2.715 123.868 121.223 -0.117 0.000 2.418 83 L HA 0.182 4.521 4.340 -0.001 0.000 0.274 83 L C -1.080 175.679 176.870 -0.186 0.000 1.135 83 L CA 0.106 54.848 54.840 -0.164 0.000 0.870 83 L CB 0.779 42.663 42.059 -0.292 0.000 1.154 83 L HN 0.290 nan 8.230 nan 0.000 0.462 84 V N 6.483 126.281 119.914 -0.193 0.000 2.347 84 V HA 0.429 4.549 4.120 -0.001 0.000 0.280 84 V C -0.258 175.554 176.094 -0.470 0.000 1.021 84 V CA -0.627 61.478 62.300 -0.326 0.000 0.847 84 V CB 1.520 33.150 31.823 -0.322 0.000 0.990 84 V HN 0.538 nan 8.190 nan 0.000 0.444 85 V N 5.904 125.531 119.914 -0.478 0.000 2.409 85 V HA 0.472 4.592 4.120 -0.001 0.000 0.291 85 V C -0.742 175.115 176.094 -0.395 0.000 1.020 85 V CA -0.810 61.223 62.300 -0.445 0.000 0.848 85 V CB 1.314 32.822 31.823 -0.523 0.000 0.990 85 V HN 0.718 nan 8.190 nan 0.000 0.430 86 Y N 6.224 126.485 120.300 -0.067 0.000 2.320 86 Y HA 0.402 4.952 4.550 -0.001 0.000 0.324 86 Y C -1.230 174.658 175.900 -0.019 0.000 1.190 86 Y CA -2.262 55.820 58.100 -0.030 0.000 1.215 86 Y CB 0.851 39.291 38.460 -0.034 0.000 1.221 86 Y HN 0.414 nan 8.280 nan 0.000 0.486 87 P HA 0.052 nan 4.420 nan 0.000 0.230 87 P C -0.060 177.283 177.300 0.071 0.000 1.168 87 P CA 0.438 63.597 63.100 0.098 0.000 0.793 87 P CB 0.173 31.924 31.700 0.084 0.000 0.851 88 A N 2.001 124.865 122.820 0.072 0.000 2.491 88 A HA 0.275 4.595 4.320 -0.001 0.000 0.261 88 A C -1.330 176.262 177.584 0.015 0.000 1.101 88 A CA -0.911 51.143 52.037 0.029 0.000 0.772 88 A CB -0.438 18.565 19.000 0.005 0.000 1.043 88 A HN 0.027 nan 8.150 nan 0.000 0.501 89 P HA -0.104 nan 4.420 nan 0.000 0.223 89 P C 1.312 178.592 177.300 -0.034 0.000 1.144 89 P CA 1.484 64.573 63.100 -0.017 0.000 0.783 89 P CB 0.152 31.844 31.700 -0.013 0.000 0.771 90 T N -0.974 113.563 114.554 -0.028 0.000 2.684 90 T HA -0.073 4.276 4.350 -0.001 0.000 0.253 90 T C 0.895 175.565 174.700 -0.049 0.000 1.057 90 T CA 0.486 62.565 62.100 -0.036 0.000 1.162 90 T CB -0.539 68.308 68.868 -0.035 0.000 0.868 90 T HN 0.043 nan 8.240 nan 0.000 0.409 91 K N 2.706 123.067 120.400 -0.064 0.000 2.466 91 K HA 0.006 4.325 4.320 -0.001 0.000 0.278 91 K C -0.461 176.130 176.600 -0.014 0.000 1.048 91 K CA 0.436 56.655 56.287 -0.113 0.000 1.088 91 K CB 0.232 32.557 32.500 -0.292 0.000 0.884 91 K HN 0.173 nan 8.250 nan 0.000 0.478 92 K N 5.632 126.034 120.400 0.003 0.000 2.298 92 K HA 0.156 4.476 4.320 -0.001 0.000 0.280 92 K C -2.309 174.410 176.600 0.198 0.000 1.032 92 K CA -1.786 54.516 56.287 0.025 0.000 0.958 92 K CB 0.745 33.322 32.500 0.128 0.000 0.978 92 K HN 0.405 nan 8.250 nan 0.000 0.472 93 P HA -0.091 nan 4.420 nan 0.000 0.268 93 P C -0.992 176.469 177.300 0.268 0.000 1.208 93 P CA 0.234 63.408 63.100 0.123 0.000 0.777 93 P CB 0.517 32.206 31.700 -0.019 0.000 0.875 94 E N 1.002 121.306 120.200 0.173 0.000 2.449 94 E HA 0.556 4.906 4.350 -0.001 0.000 0.278 94 E C -1.181 175.469 176.600 0.083 0.000 0.992 94 E CA -0.932 55.571 56.400 0.171 0.000 0.807 94 E CB 1.147 30.970 29.700 0.205 0.000 1.350 94 E HN 0.150 nan 8.360 nan 0.000 0.462 95 I N 1.193 121.814 120.570 0.086 0.000 2.321 95 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 95 I C -0.774 175.401 176.117 0.097 0.000 0.998 95 I CA -0.777 60.557 61.300 0.056 0.000 1.227 95 I CB 1.095 39.115 38.000 0.033 0.000 1.368 95 I HN 0.498 nan 8.210 nan 0.000 0.466 96 C N 6.077 125.428 119.300 0.083 0.000 2.369 96 C HA 0.381 4.841 4.460 -0.001 0.000 0.322 96 C C -0.342 174.736 174.990 0.148 0.000 1.258 96 C CA -0.768 58.315 59.018 0.108 0.000 1.487 96 C CB 0.801 28.574 27.740 0.055 0.000 2.165 96 C HN 0.607 nan 8.230 nan 0.000 0.483 97 Y N 4.137 124.481 120.300 0.074 0.000 2.328 97 Y HA 0.648 5.198 4.550 -0.001 0.000 0.337 97 Y C -0.138 175.770 175.900 0.013 0.000 1.008 97 Y CA -0.583 57.553 58.100 0.060 0.000 1.129 97 Y CB 0.946 39.476 38.460 0.117 0.000 1.185 97 Y HN 0.617 nan 8.280 nan 0.000 0.476 98 V N 2.544 122.031 119.914 -0.711 0.000 2.680 98 V HA 0.527 4.647 4.120 -0.001 0.000 0.309 98 V C -0.475 175.058 176.094 -0.935 0.000 1.052 98 V CA -1.276 60.629 62.300 -0.658 0.000 0.908 98 V CB 1.607 33.259 31.823 -0.285 0.000 1.001 98 V HN 0.835 nan 8.190 nan 0.000 0.431 99 E N 2.305 122.144 120.200 -0.600 0.000 2.502 99 E HA 0.385 4.735 4.350 -0.001 0.000 0.261 99 E C 1.224 177.700 176.600 -0.206 0.000 0.974 99 E CA 1.093 57.301 56.400 -0.321 0.000 0.936 99 E CB 0.499 30.134 29.700 -0.108 0.000 0.926 99 E HN 1.470 nan 8.360 nan 0.000 0.459 100 G N 3.084 111.827 108.800 -0.094 0.000 2.254 100 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.225 100 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.225 100 G C -0.080 174.807 174.900 -0.022 0.000 1.003 100 G CA -0.163 44.909 45.100 -0.046 0.000 0.622 100 G HN 0.570 nan 8.290 nan 0.000 0.507 101 D N 1.533 121.894 120.400 -0.064 0.000 2.414 101 D HA 0.537 5.177 4.640 -0.001 0.000 0.242 101 D C 0.778 177.180 176.300 0.171 0.000 1.129 101 D CA 1.284 55.313 54.000 0.048 0.000 0.885 101 D CB 1.442 42.274 40.800 0.053 0.000 1.198 101 D HN 0.772 nan 8.370 nan 0.000 0.437 102 S N -0.405 115.376 115.700 0.135 0.000 2.618 102 S HA 0.610 5.079 4.470 -0.001 0.000 0.277 102 S C -0.895 173.777 174.600 0.119 0.000 1.138 102 S CA -0.961 57.318 58.200 0.131 0.000 0.844 102 S CB 1.313 64.568 63.200 0.092 0.000 1.127 102 S HN 0.095 nan 8.310 nan 0.000 0.474 103 V N 1.571 121.553 119.914 0.113 0.000 2.394 103 V HA 0.714 4.833 4.120 -0.001 0.000 0.282 103 V C 0.663 176.772 176.094 0.026 0.000 1.031 103 V CA -0.477 61.876 62.300 0.088 0.000 0.881 103 V CB 0.999 32.909 31.823 0.145 0.000 0.982 103 V HN 1.191 nan 8.190 nan 0.000 0.451 104 A N 5.270 128.081 122.820 -0.015 0.000 2.451 104 A HA 0.579 4.898 4.320 -0.001 0.000 0.266 104 A C -0.341 177.187 177.584 -0.093 0.000 1.119 104 A CA -0.105 51.912 52.037 -0.033 0.000 0.786 104 A CB 0.163 19.145 19.000 -0.030 0.000 1.061 104 A HN 0.733 nan 8.150 nan 0.000 0.503 105 V N 3.389 123.255 119.914 -0.081 0.000 2.409 105 V HA 0.455 4.575 4.120 -0.001 0.000 0.290 105 V C 0.385 176.319 176.094 -0.267 0.000 1.017 105 V CA -0.206 61.969 62.300 -0.209 0.000 0.841 105 V CB 1.573 33.277 31.823 -0.198 0.000 1.003 105 V HN 1.010 nan 8.190 nan 0.000 0.426 106 T N 4.441 118.817 114.554 -0.296 0.000 2.829 106 T HA 0.734 5.084 4.350 -0.001 0.000 0.282 106 T C -0.943 173.562 174.700 -0.325 0.000 0.990 106 T CA -0.172 61.816 62.100 -0.187 0.000 1.028 106 T CB 0.496 69.331 68.868 -0.055 0.000 0.951 106 T HN 0.220 nan 8.240 nan 0.000 0.460 107 F N 2.836 122.838 119.950 0.087 0.000 2.482 107 F HA 0.774 5.300 4.527 -0.001 0.000 0.331 107 F C 0.555 176.436 175.800 0.134 0.000 1.115 107 F CA -0.588 57.509 58.000 0.161 0.000 0.955 107 F CB 2.000 41.097 39.000 0.161 0.000 1.136 107 F HN 0.949 nan 8.300 nan 0.000 0.452 108 A N 2.369 125.342 122.820 0.256 0.000 2.564 108 A HA 0.809 5.128 4.320 -0.001 0.000 0.288 108 A C -1.575 175.949 177.584 -0.101 0.000 1.164 108 A CA -0.707 51.366 52.037 0.060 0.000 0.712 108 A CB 2.054 21.047 19.000 -0.012 0.000 1.303 108 A HN 0.702 nan 8.150 nan 0.000 0.418 109 E N -0.616 119.479 120.200 -0.176 0.000 2.275 109 E HA 0.504 4.853 4.350 -0.001 0.000 0.270 109 E C -1.748 174.649 176.600 -0.337 0.000 0.882 109 E CA -0.473 55.742 56.400 -0.309 0.000 0.758 109 E CB 1.962 31.523 29.700 -0.231 0.000 1.195 109 E HN 0.835 nan 8.360 nan 0.000 0.419 110 C N 4.234 123.205 119.300 -0.549 0.000 2.379 110 C HA 0.473 4.932 4.460 -0.001 0.000 0.323 110 C C 0.307 175.047 174.990 -0.416 0.000 1.262 110 C CA -0.499 58.190 59.018 -0.548 0.000 1.581 110 C CB -0.142 27.073 27.740 -0.876 0.000 2.221 110 C HN 0.951 nan 8.230 nan 0.000 0.497 111 N N 3.193 121.766 118.700 -0.212 0.000 2.270 111 N HA 0.213 4.952 4.740 -0.001 0.000 0.198 111 N C -0.176 175.316 175.510 -0.031 0.000 1.117 111 N CA -0.121 52.865 53.050 -0.105 0.000 0.845 111 N CB 0.111 38.550 38.487 -0.079 0.000 0.980 111 N HN 0.600 nan 8.380 nan 0.000 0.486 112 L N 0.789 122.008 121.223 -0.007 0.000 2.461 112 L HA 0.060 4.400 4.340 -0.001 0.000 0.272 112 L C 0.481 177.453 176.870 0.169 0.000 1.197 112 L CA -0.301 54.581 54.840 0.071 0.000 0.836 112 L CB 0.309 42.419 42.059 0.085 0.000 1.105 112 L HN 0.154 nan 8.230 nan 0.000 0.477 113 D N 1.999 122.446 120.400 0.077 0.000 2.358 113 D HA -0.008 4.632 4.640 -0.001 0.000 0.258 113 D C 0.670 176.967 176.300 -0.004 0.000 1.223 113 D CA -0.186 53.842 54.000 0.047 0.000 0.886 113 D CB 1.112 41.911 40.800 -0.001 0.000 1.120 113 D HN 0.353 nan 8.370 nan 0.000 0.482 114 L N 5.065 126.257 121.223 -0.051 0.000 2.127 114 L HA -0.166 4.174 4.340 -0.001 0.000 0.211 114 L C 1.375 178.069 176.870 -0.293 0.000 1.089 114 L CA 1.663 56.295 54.840 -0.346 0.000 0.757 114 L CB -0.671 41.120 42.059 -0.447 0.000 0.899 114 L HN 0.390 nan 8.230 nan 0.000 0.434 115 N N 0.090 118.689 118.700 -0.167 0.000 2.289 115 N HA -0.170 4.570 4.740 -0.001 0.000 0.184 115 N C 1.567 176.992 175.510 -0.142 0.000 1.016 115 N CA 1.219 54.184 53.050 -0.141 0.000 0.872 115 N CB -0.174 38.265 38.487 -0.080 0.000 0.973 115 N HN 0.544 nan 8.380 nan 0.000 0.433 116 E N -0.427 119.693 120.200 -0.134 0.000 2.482 116 E HA 0.056 4.406 4.350 -0.001 0.000 0.196 116 E C 1.213 177.709 176.600 -0.174 0.000 1.047 116 E CA 0.328 56.657 56.400 -0.118 0.000 0.869 116 E CB 0.179 29.827 29.700 -0.087 0.000 0.836 116 E HN 0.362 nan 8.360 nan 0.000 0.520 117 L N -0.598 120.447 121.223 -0.296 0.000 2.500 117 L HA 0.041 4.380 4.340 -0.001 0.000 0.219 117 L C 2.267 178.854 176.870 -0.471 0.000 1.057 117 L CA 0.873 55.457 54.840 -0.426 0.000 0.854 117 L CB 0.216 41.865 42.059 -0.682 0.000 1.078 117 L HN 0.143 nan 8.230 nan 0.000 0.480 118 T N -2.717 111.538 114.554 -0.498 0.000 3.107 118 T HA 0.160 4.510 4.350 -0.001 0.000 0.249 118 T C 1.034 175.588 174.700 -0.243 0.000 1.096 118 T CA 0.187 62.020 62.100 -0.446 0.000 1.012 118 T CB -0.175 68.472 68.868 -0.367 0.000 0.977 118 T HN 0.155 nan 8.240 nan 0.000 0.527 119 G N 0.924 109.604 108.800 -0.201 0.000 2.616 119 G HA2 0.315 4.275 3.960 -0.001 0.000 0.268 119 G HA3 0.315 4.275 3.960 -0.001 0.000 0.268 119 G C 0.457 175.211 174.900 -0.243 0.000 1.213 119 G CA -0.676 44.309 45.100 -0.191 0.000 0.926 119 G HN 0.209 nan 8.290 nan 0.000 0.523 120 N N -1.003 117.458 118.700 -0.398 0.000 2.356 120 N HA 0.037 4.776 4.740 -0.001 0.000 0.178 120 N C 0.371 175.598 175.510 -0.471 0.000 1.075 120 N CA 0.149 52.929 53.050 -0.450 0.000 0.889 120 N CB 0.049 38.248 38.487 -0.479 0.000 0.999 120 N HN 0.480 nan 8.380 nan 0.000 0.464 121 H N 0.981 119.947 119.070 -0.174 0.000 2.603 121 H HA 0.229 4.784 4.556 -0.001 0.000 0.370 121 H C -1.978 173.264 175.328 -0.143 0.000 1.225 121 H CA -1.706 54.244 56.048 -0.163 0.000 1.410 121 H CB -0.433 29.269 29.762 -0.100 0.000 1.495 121 H HN -0.111 nan 8.280 nan 0.000 0.602 122 P HA -0.010 nan 4.420 nan 0.000 0.260 122 P C 0.118 177.426 177.300 0.012 0.000 1.185 122 P CA 0.583 63.673 63.100 -0.016 0.000 0.763 122 P CB 0.321 32.024 31.700 0.005 0.000 0.776 123 R N 1.925 122.439 120.500 0.022 0.000 2.771 123 R HA 0.416 4.756 4.340 -0.001 0.000 0.274 123 R C -0.666 175.692 176.300 0.096 0.000 0.987 123 R CA -0.916 55.225 56.100 0.067 0.000 0.908 123 R CB 1.076 31.442 30.300 0.111 0.000 1.213 123 R HN 0.233 nan 8.270 nan 0.000 0.468 124 N N 0.733 119.478 118.700 0.075 0.000 2.411 124 N HA -0.042 4.698 4.740 -0.001 0.000 0.265 124 N C 0.815 176.391 175.510 0.110 0.000 1.266 124 N CA 0.188 53.269 53.050 0.052 0.000 0.889 124 N CB 0.685 39.175 38.487 0.006 0.000 1.069 124 N HN 0.541 nan 8.380 nan 0.000 0.476 125 c N 1.406 120.020 118.600 0.023 0.000 2.403 125 c HA -0.187 4.383 4.570 -0.001 0.000 0.277 125 c C 2.108 176.011 174.090 -0.312 0.000 1.248 125 c CA 1.039 57.331 56.329 -0.062 0.000 1.762 125 c CB -0.870 41.610 42.510 -0.050 0.000 2.014 125 c HN 0.799 nan 8.230 nan 0.000 0.486 126 D N 0.441 120.617 120.400 -0.373 0.000 2.347 126 D HA -0.096 4.544 4.640 -0.001 0.000 0.215 126 D C 1.670 177.757 176.300 -0.354 0.000 0.976 126 D CA 0.757 54.361 54.000 -0.660 0.000 0.884 126 D CB -0.688 39.989 40.800 -0.204 0.000 0.915 126 D HN 0.376 nan 8.370 nan 0.000 0.526 127 K N -0.731 119.560 120.400 -0.181 0.000 2.360 127 K HA -0.024 4.296 4.320 -0.001 0.000 0.201 127 K C 0.923 177.352 176.600 -0.285 0.000 1.046 127 K CA 0.760 56.913 56.287 -0.224 0.000 0.945 127 K CB -0.175 32.134 32.500 -0.319 0.000 0.750 127 K HN 0.229 nan 8.250 nan 0.000 0.464 128 F N -1.513 118.355 119.950 -0.137 0.000 2.714 128 F HA 0.028 4.554 4.527 -0.001 0.000 0.294 128 F C 1.387 177.267 175.800 0.133 0.000 1.120 128 F CA -0.014 58.008 58.000 0.038 0.000 1.398 128 F CB 0.068 39.100 39.000 0.054 0.000 1.120 128 F HN -0.053 nan 8.300 nan 0.000 0.589 129 Y N 0.814 121.243 120.300 0.216 0.000 2.224 129 Y HA -0.184 4.366 4.550 -0.001 0.000 0.289 129 Y C 1.707 177.660 175.900 0.087 0.000 1.146 129 Y CA 0.894 59.075 58.100 0.136 0.000 1.182 129 Y CB -1.320 37.200 38.460 0.100 0.000 0.983 129 Y HN 0.207 nan 8.280 nan 0.000 0.524 130 D N -1.109 119.416 120.400 0.209 0.000 2.358 130 D HA 0.058 4.697 4.640 -0.001 0.000 0.224 130 D C 1.075 177.422 176.300 0.078 0.000 1.123 130 D CA 0.295 54.364 54.000 0.115 0.000 0.833 130 D CB -0.774 40.067 40.800 0.069 0.000 0.946 130 D HN 0.285 nan 8.370 nan 0.000 0.505 131 L N -0.038 121.258 121.223 0.121 0.000 2.529 131 L HA 0.183 4.523 4.340 -0.001 0.000 0.223 131 L C 0.241 177.164 176.870 0.088 0.000 1.113 131 L CA -0.114 54.787 54.840 0.102 0.000 0.861 131 L CB 0.170 42.326 42.059 0.162 0.000 1.012 131 L HN 0.066 nan 8.230 nan 0.000 0.461 132 V N -2.408 117.573 119.914 0.111 0.000 2.513 132 V HA 0.556 4.676 4.120 -0.001 0.000 0.299 132 V C -2.498 173.621 176.094 0.042 0.000 1.035 132 V CA -2.318 60.028 62.300 0.077 0.000 0.889 132 V CB 1.230 33.111 31.823 0.097 0.000 0.988 132 V HN -0.119 nan 8.190 nan 0.000 0.440 133 P HA 0.361 nan 4.420 nan 0.000 0.275 133 P C 0.157 177.449 177.300 -0.014 0.000 1.228 133 P CA -0.342 62.745 63.100 -0.020 0.000 0.786 133 P CB 1.176 32.836 31.700 -0.067 0.000 0.927 134 I N 0.342 120.907 120.570 -0.009 0.000 2.892 134 I HA -0.031 4.139 4.170 -0.001 0.000 0.287 134 I C 1.502 177.617 176.117 -0.003 0.000 1.205 134 I CA -0.428 60.871 61.300 -0.002 0.000 1.409 134 I CB 0.205 38.208 38.000 0.005 0.000 1.367 134 I HN 0.140 nan 8.210 nan 0.000 0.597 135 L N 4.835 126.069 121.223 0.018 0.000 2.046 135 L HA 0.230 4.570 4.340 -0.001 0.000 0.208 135 L C 0.902 177.799 176.870 0.044 0.000 1.077 135 L CA 2.032 56.896 54.840 0.039 0.000 0.747 135 L CB -0.952 41.164 42.059 0.095 0.000 0.896 135 L HN 1.171 nan 8.230 nan 0.000 0.432 136 G N -0.626 108.207 108.800 0.055 0.000 2.465 136 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.681 136 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.681 136 G C -0.876 174.073 174.900 0.081 0.000 1.340 136 G CA -0.660 44.470 45.100 0.050 0.000 0.884 136 G HN 0.130 nan 8.290 nan 0.000 0.650 137 E N 0.332 120.571 120.200 0.065 0.000 2.413 137 E HA 0.346 4.696 4.350 -0.001 0.000 0.263 137 E C 1.300 177.949 176.600 0.082 0.000 1.015 137 E CA 0.673 57.121 56.400 0.079 0.000 0.916 137 E CB 0.809 30.540 29.700 0.051 0.000 0.947 137 E HN 0.811 nan 8.360 nan 0.000 0.440 138 S N 2.089 117.858 115.700 0.116 0.000 2.603 138 S HA 0.207 4.676 4.470 -0.001 0.000 0.268 138 S C 0.020 174.638 174.600 0.031 0.000 1.317 138 S CA -0.657 57.578 58.200 0.059 0.000 1.012 138 S CB 1.334 64.564 63.200 0.051 0.000 0.926 138 S HN 0.331 nan 8.310 nan 0.000 0.539 139 T N 2.436 116.989 114.554 -0.001 0.000 2.772 139 T HA 0.416 4.766 4.350 -0.001 0.000 0.288 139 T C -0.334 174.360 174.700 -0.009 0.000 0.994 139 T CA -0.496 61.602 62.100 -0.002 0.000 0.951 139 T CB 0.438 69.300 68.868 -0.011 0.000 0.933 139 T HN 0.567 nan 8.240 nan 0.000 0.447 140 R N 3.201 123.703 120.500 0.003 0.000 2.198 140 R HA 0.582 4.921 4.340 -0.001 0.000 0.339 140 R C -0.316 175.986 176.300 0.003 0.000 1.020 140 R CA -0.330 55.773 56.100 0.004 0.000 0.864 140 R CB 0.577 30.887 30.300 0.016 0.000 1.105 140 R HN 0.512 nan 8.270 nan 0.000 0.463 141 L N 0.287 121.509 121.223 -0.001 0.000 2.421 141 L HA 0.379 4.718 4.340 -0.001 0.000 0.267 141 L C 1.590 178.469 176.870 0.015 0.000 1.036 141 L CA -0.456 54.387 54.840 0.005 0.000 0.829 141 L CB 1.423 43.483 42.059 0.002 0.000 1.437 141 L HN 0.645 nan 8.230 nan 0.000 0.488 142 S N -1.008 114.704 115.700 0.020 0.000 2.371 142 S HA -0.140 4.330 4.470 -0.001 0.000 0.224 142 S C 1.046 175.670 174.600 0.040 0.000 1.029 142 S CA 1.042 59.258 58.200 0.026 0.000 0.978 142 S CB -0.329 62.886 63.200 0.023 0.000 0.833 142 S HN 0.828 nan 8.310 nan 0.000 0.466 143 D N 0.805 121.237 120.400 0.053 0.000 2.360 143 D HA 0.115 4.755 4.640 -0.001 0.000 0.210 143 D C 0.961 177.329 176.300 0.114 0.000 1.047 143 D CA 0.397 54.453 54.000 0.093 0.000 0.854 143 D CB -0.110 40.759 40.800 0.114 0.000 0.936 143 D HN 0.655 nan 8.370 nan 0.000 0.514 144 C N -1.276 118.044 119.300 0.034 0.000 3.275 144 C HA 0.715 5.175 4.460 -0.001 0.000 0.340 144 C C -1.078 173.879 174.990 -0.056 0.000 1.366 144 C CA -1.424 57.557 59.018 -0.061 0.000 1.227 144 C CB 0.818 28.416 27.740 -0.236 0.000 1.512 144 C HN 0.224 nan 8.230 nan 0.000 0.461 145 I N 1.296 121.819 120.570 -0.078 0.000 2.530 145 I HA 0.620 4.790 4.170 -0.001 0.000 0.297 145 I C -0.799 175.251 176.117 -0.112 0.000 1.011 145 I CA -0.495 60.775 61.300 -0.050 0.000 1.107 145 I CB 1.537 39.548 38.000 0.020 0.000 1.285 145 I HN 0.841 nan 8.210 nan 0.000 0.436 146 K N 8.005 128.345 120.400 -0.099 0.000 2.376 146 K HA 0.600 4.919 4.320 -0.001 0.000 0.257 146 K C -1.345 175.190 176.600 -0.108 0.000 0.939 146 K CA -0.541 55.678 56.287 -0.113 0.000 0.809 146 K CB 2.455 34.906 32.500 -0.083 0.000 1.121 146 K HN 0.492 nan 8.250 nan 0.000 0.425 147 I N 4.198 124.685 120.570 -0.139 0.000 2.436 147 I HA 0.303 4.472 4.170 -0.001 0.000 0.289 147 I C -2.363 173.711 176.117 -0.071 0.000 1.010 147 I CA -2.696 58.520 61.300 -0.139 0.000 1.098 147 I CB 2.014 39.851 38.000 -0.272 0.000 1.266 147 I HN 0.286 nan 8.210 nan 0.000 0.434 148 P HA 0.142 nan 4.420 nan 0.000 0.269 148 P C 0.196 177.526 177.300 0.050 0.000 1.215 148 P CA -0.005 63.114 63.100 0.032 0.000 0.780 148 P CB 0.770 32.501 31.700 0.051 0.000 0.898 149 L N 0.510 121.768 121.223 0.058 0.000 2.672 149 L HA 0.380 4.720 4.340 -0.001 0.000 0.236 149 L C 0.117 177.054 176.870 0.112 0.000 1.092 149 L CA 0.256 55.130 54.840 0.056 0.000 0.887 149 L CB 0.215 42.249 42.059 -0.042 0.000 1.168 149 L HN 0.320 nan 8.230 nan 0.000 0.502 150 F N 0.641 120.551 119.950 -0.068 0.000 2.639 150 F HA 0.477 5.003 4.527 -0.001 0.000 0.326 150 F C -0.771 175.026 175.800 -0.004 0.000 1.150 150 F CA -0.895 57.064 58.000 -0.069 0.000 1.057 150 F CB 1.429 40.346 39.000 -0.139 0.000 1.300 150 F HN -0.110 nan 8.300 nan 0.000 0.486 151 S N 4.045 119.383 115.700 -0.603 0.000 2.618 151 S HA 0.963 5.432 4.470 -0.001 0.000 0.277 151 S C -2.027 172.214 174.600 -0.597 0.000 1.138 151 S CA -0.769 57.107 58.200 -0.541 0.000 0.844 151 S CB 2.003 65.075 63.200 -0.213 0.000 1.127 151 S HN 0.674 nan 8.310 nan 0.000 0.474 152 V N 1.238 120.915 119.914 -0.395 0.000 2.841 152 V HA 0.678 4.797 4.120 -0.001 0.000 0.310 152 V C -0.896 175.091 176.094 -0.178 0.000 1.090 152 V CA -0.540 61.617 62.300 -0.238 0.000 0.930 152 V CB 1.793 33.525 31.823 -0.152 0.000 1.014 152 V HN 1.015 nan 8.190 nan 0.000 0.425 153 Q N 2.241 121.977 119.800 -0.106 0.000 2.323 153 Q HA 0.743 5.083 4.340 -0.001 0.000 0.271 153 Q C -2.113 173.847 176.000 -0.067 0.000 1.048 153 Q CA -0.493 55.238 55.803 -0.120 0.000 0.792 153 Q CB 2.452 31.157 28.738 -0.056 0.000 1.280 153 Q HN 0.589 nan 8.270 nan 0.000 0.441 154 V N 3.250 123.104 119.914 -0.100 0.000 2.378 154 V HA 0.500 4.620 4.120 -0.001 0.000 0.288 154 V C -0.553 175.669 176.094 0.213 0.000 1.016 154 V CA -0.492 61.865 62.300 0.095 0.000 0.840 154 V CB 1.662 33.591 31.823 0.177 0.000 0.994 154 V HN 0.848 nan 8.190 nan 0.000 0.431 155 T N 6.033 120.670 114.554 0.138 0.000 2.792 155 T HA 0.531 4.881 4.350 -0.001 0.000 0.280 155 T C -0.568 174.035 174.700 -0.162 0.000 0.990 155 T CA -0.350 61.731 62.100 -0.033 0.000 0.960 155 T CB 1.539 70.358 68.868 -0.082 0.000 0.939 155 T HN 0.444 nan 8.240 nan 0.000 0.439 156 L N 3.962 124.845 121.223 -0.566 0.000 2.290 156 L HA 0.552 4.891 4.340 -0.001 0.000 0.284 156 L C -1.260 175.322 176.870 -0.480 0.000 1.078 156 L CA -0.283 54.127 54.840 -0.717 0.000 0.815 156 L CB -0.191 41.023 42.059 -1.409 0.000 1.162 156 L HN 0.579 nan 8.230 nan 0.000 0.435 157 F N 6.684 126.500 119.950 -0.223 0.000 2.291 157 F HA 0.414 4.941 4.527 -0.000 0.000 0.368 157 F C -1.839 173.884 175.800 -0.128 0.000 1.085 157 F CA -2.072 55.852 58.000 -0.128 0.000 1.165 157 F CB 0.521 39.493 39.000 -0.048 0.000 1.429 157 F HN 0.452 nan 8.300 nan 0.000 0.503 158 P HA -0.079 nan 4.420 nan 0.000 0.258 158 P C -0.218 177.084 177.300 0.003 0.000 1.172 158 P CA 0.981 64.052 63.100 -0.048 0.000 0.762 158 P CB 0.117 31.778 31.700 -0.064 0.000 0.764 159 N N 0.865 119.565 118.700 -0.001 0.000 2.828 159 N HA -0.250 4.490 4.740 -0.001 0.000 0.248 159 N C 0.611 176.135 175.510 0.024 0.000 1.044 159 N CA 0.837 53.893 53.050 0.010 0.000 0.851 159 N CB -1.155 37.337 38.487 0.008 0.000 1.136 159 N HN 0.599 nan 8.380 nan 0.000 0.572 160 Q N -1.521 118.305 119.800 0.043 0.000 2.577 160 Q HA 0.390 4.730 4.340 -0.001 0.000 0.242 160 Q C 1.005 177.030 176.000 0.043 0.000 0.818 160 Q CA 0.690 56.519 55.803 0.044 0.000 0.962 160 Q CB 1.590 30.364 28.738 0.060 0.000 1.272 160 Q HN 0.348 nan 8.270 nan 0.000 0.593 161 G N 0.411 109.257 108.800 0.077 0.000 2.367 161 G HA2 0.368 4.328 3.960 -0.001 0.000 0.272 161 G HA3 0.368 4.328 3.960 -0.001 0.000 0.272 161 G C -1.936 173.047 174.900 0.138 0.000 1.271 161 G CA -0.880 44.264 45.100 0.074 0.000 0.893 161 G HN 0.035 nan 8.290 nan 0.000 0.485 162 I N 0.557 121.227 120.570 0.167 0.000 2.656 162 I HA 0.634 4.803 4.170 -0.001 0.000 0.292 162 I C 0.065 176.380 176.117 0.330 0.000 1.144 162 I CA -0.972 60.443 61.300 0.190 0.000 1.038 162 I CB 2.322 40.238 38.000 -0.141 0.000 1.244 162 I HN 0.863 nan 8.210 nan 0.000 0.420 163 A N 7.204 130.220 122.820 0.326 0.000 2.304 163 A HA 0.804 5.124 4.320 -0.001 0.000 0.323 163 A C -0.632 177.037 177.584 0.142 0.000 1.195 163 A CA -0.441 51.658 52.037 0.103 0.000 0.826 163 A CB 0.565 19.527 19.000 -0.062 0.000 1.184 163 A HN 0.654 nan 8.150 nan 0.000 0.496 164 I N 2.830 123.519 120.570 0.198 0.000 2.312 164 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 164 I C 0.827 177.068 176.117 0.206 0.000 1.008 164 I CA -0.236 61.175 61.300 0.184 0.000 1.226 164 I CB 1.656 39.731 38.000 0.126 0.000 1.371 164 I HN 0.711 nan 8.210 nan 0.000 0.468 165 G N 7.512 116.384 108.800 0.121 0.000 2.335 165 G HA2 0.727 4.687 3.960 -0.001 0.000 0.316 165 G HA3 0.727 4.687 3.960 -0.001 0.000 0.316 165 G C -0.728 174.251 174.900 0.132 0.000 1.129 165 G CA -0.363 44.800 45.100 0.106 0.000 0.899 165 G HN 0.515 nan 8.290 nan 0.000 0.448 166 I N 1.617 122.296 120.570 0.181 0.000 2.499 166 I HA 0.314 4.484 4.170 -0.001 0.000 0.288 166 I C -0.366 175.817 176.117 0.110 0.000 1.048 166 I CA -0.481 60.932 61.300 0.189 0.000 1.062 166 I CB 2.678 40.950 38.000 0.454 0.000 1.238 166 I HN 0.302 nan 8.210 nan 0.000 0.426 167 T N 6.014 120.575 114.554 0.012 0.000 2.829 167 T HA 0.472 4.822 4.350 -0.001 0.000 0.280 167 T C -0.680 174.047 174.700 0.046 0.000 0.999 167 T CA -0.791 61.314 62.100 0.009 0.000 0.983 167 T CB 1.136 69.989 68.868 -0.025 0.000 0.968 167 T HN 0.719 nan 8.240 nan 0.000 0.446 168 N N 1.161 119.891 118.700 0.049 0.000 2.416 168 N HA 0.205 4.945 4.740 -0.001 0.000 0.276 168 N C -1.452 174.064 175.510 0.010 0.000 1.261 168 N CA -0.724 52.364 53.050 0.064 0.000 0.790 168 N CB 1.420 39.944 38.487 0.062 0.000 1.554 168 N HN 0.486 nan 8.380 nan 0.000 0.481 169 H N 0.506 119.562 119.070 -0.024 0.000 2.548 169 H HA 0.071 4.627 4.556 -0.001 0.000 0.331 169 H C 0.695 176.011 175.328 -0.020 0.000 1.093 169 H CA 0.272 56.327 56.048 0.012 0.000 1.367 169 H CB 0.773 30.562 29.762 0.044 0.000 1.455 169 H HN 0.652 nan 8.280 nan 0.000 0.519 170 H N 3.841 122.832 119.070 -0.133 0.000 2.456 170 H HA -0.113 4.443 4.556 -0.001 0.000 0.296 170 H C 1.856 177.192 175.328 0.013 0.000 1.079 170 H CA 1.218 57.155 56.048 -0.186 0.000 1.322 170 H CB -0.117 29.387 29.762 -0.430 0.000 1.388 170 H HN 0.556 nan 8.280 nan 0.000 0.538 171 C N 0.318 119.937 119.300 0.531 0.000 2.409 171 C HA -0.131 4.329 4.460 -0.001 0.000 0.284 171 C C 2.896 177.985 174.990 0.164 0.000 1.354 171 C CA 0.589 59.822 59.018 0.358 0.000 1.787 171 C CB -1.280 26.616 27.740 0.261 0.000 1.900 171 C HN 0.459 nan 8.230 nan 0.000 0.520 172 L N 0.776 122.045 121.223 0.077 0.000 2.042 172 L HA 0.207 4.547 4.340 -0.001 0.000 0.210 172 L C 1.067 177.842 176.870 -0.159 0.000 1.076 172 L CA 2.431 57.221 54.840 -0.084 0.000 0.749 172 L CB -0.784 41.097 42.059 -0.296 0.000 0.893 172 L HN 0.458 nan 8.230 nan 0.000 0.432 173 G N -1.994 106.707 108.800 -0.165 0.000 2.321 173 G HA2 0.317 4.276 3.960 -0.001 0.000 0.298 173 G HA3 0.317 4.276 3.960 -0.001 0.000 0.298 173 G C -1.825 172.963 174.900 -0.187 0.000 1.385 173 G CA -0.185 44.777 45.100 -0.230 0.000 0.856 173 G HN 0.322 nan 8.290 nan 0.000 0.584 174 D N -0.527 119.794 120.400 -0.132 0.000 2.511 174 D HA 0.639 5.278 4.640 -0.001 0.000 0.276 174 D C 1.749 178.006 176.300 -0.072 0.000 1.220 174 D CA 0.275 54.209 54.000 -0.109 0.000 1.077 174 D CB 0.475 41.280 40.800 0.010 0.000 1.126 174 D HN 0.900 nan 8.370 nan 0.000 0.583 175 A N -0.296 122.519 122.820 -0.008 0.000 1.972 175 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 175 A C 2.140 179.888 177.584 0.273 0.000 1.169 175 A CA 1.898 54.030 52.037 0.158 0.000 0.635 175 A CB -1.069 18.035 19.000 0.174 0.000 0.810 175 A HN 0.449 nan 8.150 nan 0.000 0.446 176 S N -0.482 115.295 115.700 0.129 0.000 2.368 176 S HA -0.130 4.340 4.470 -0.001 0.000 0.225 176 S C 2.047 176.740 174.600 0.156 0.000 1.030 176 S CA 1.777 60.050 58.200 0.121 0.000 0.999 176 S CB -0.519 62.707 63.200 0.043 0.000 0.844 176 S HN 0.711 nan 8.310 nan 0.000 0.459 177 T N 2.184 116.768 114.554 0.049 0.000 2.708 177 T HA -0.061 4.288 4.350 -0.001 0.000 0.266 177 T C 1.926 176.729 174.700 0.173 0.000 1.037 177 T CA 1.046 63.124 62.100 -0.036 0.000 1.146 177 T CB -0.167 68.475 68.868 -0.377 0.000 0.865 177 T HN 0.346 nan 8.240 nan 0.000 0.435 178 R N -0.178 120.472 120.500 0.249 0.000 2.081 178 R HA -0.027 4.312 4.340 -0.001 0.000 0.235 178 R C 2.233 178.796 176.300 0.438 0.000 1.131 178 R CA 1.297 57.645 56.100 0.413 0.000 0.960 178 R CB -0.578 29.966 30.300 0.406 0.000 0.856 178 R HN 0.350 nan 8.270 nan 0.000 0.436 179 F N 1.054 121.149 119.950 0.241 0.000 2.095 179 F HA -0.318 4.209 4.527 -0.001 0.000 0.298 179 F C 2.587 178.341 175.800 -0.076 0.000 1.104 179 F CA 1.604 59.551 58.000 -0.088 0.000 1.232 179 F CB -0.658 38.151 39.000 -0.320 0.000 0.987 179 F HN 0.076 nan 8.300 nan 0.000 0.475 180 C N 0.187 119.531 119.300 0.073 0.000 2.429 180 C HA -0.217 4.242 4.460 -0.001 0.000 0.277 180 C C 2.722 177.625 174.990 -0.145 0.000 1.262 180 C CA 1.230 60.278 59.018 0.050 0.000 1.733 180 C CB -1.913 25.984 27.740 0.262 0.000 2.010 180 C HN 0.614 nan 8.230 nan 0.000 0.483 181 F N 1.295 120.956 119.950 -0.481 0.000 2.075 181 F HA -0.018 4.509 4.527 -0.001 0.000 0.297 181 F C 1.990 177.328 175.800 -0.770 0.000 1.113 181 F CA 1.924 59.190 58.000 -1.224 0.000 1.218 181 F CB -0.540 37.585 39.000 -1.458 0.000 0.984 181 F HN 0.161 nan 8.300 nan 0.000 0.472 182 L N 0.104 121.069 121.223 -0.430 0.000 2.141 182 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 182 L C 2.488 178.978 176.870 -0.634 0.000 1.094 182 L CA 1.201 55.782 54.840 -0.432 0.000 0.763 182 L CB -0.666 41.317 42.059 -0.127 0.000 0.908 182 L HN 0.087 nan 8.230 nan 0.000 0.437 183 K N 0.089 120.091 120.400 -0.664 0.000 2.032 183 K HA -0.215 4.105 4.320 -0.001 0.000 0.209 183 K C 2.233 178.542 176.600 -0.485 0.000 1.048 183 K CA 1.614 57.542 56.287 -0.597 0.000 0.927 183 K CB -0.253 31.921 32.500 -0.543 0.000 0.712 183 K HN 0.313 nan 8.250 nan 0.000 0.441 184 A N 0.888 123.383 122.820 -0.541 0.000 1.858 184 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 184 A C 1.900 179.118 177.584 -0.611 0.000 1.190 184 A CA 1.390 53.014 52.037 -0.688 0.000 0.617 184 A CB -0.972 17.436 19.000 -0.986 0.000 0.827 184 A HN 0.584 nan 8.150 nan 0.000 0.443 185 W N 2.029 122.752 121.300 -0.961 0.000 2.335 185 W HA -0.228 4.432 4.660 0.000 0.000 0.311 185 W C 2.590 178.739 176.519 -0.616 0.000 1.213 185 W CA 3.019 59.888 57.345 -0.793 0.000 1.274 185 W CB -1.141 27.744 29.460 -0.959 0.000 1.148 185 W HN 0.481 nan 8.180 nan 0.000 0.498 186 T N -2.369 111.722 114.554 -0.772 0.000 2.746 186 T HA -0.207 4.143 4.350 -0.001 0.000 0.267 186 T C 2.156 176.528 174.700 -0.547 0.000 1.039 186 T CA 2.042 63.549 62.100 -0.989 0.000 1.142 186 T CB -1.087 67.109 68.868 -1.119 0.000 0.866 186 T HN 0.141 nan 8.240 nan 0.000 0.444 187 S N 0.977 116.437 115.700 -0.399 0.000 2.368 187 S HA -0.028 4.441 4.470 -0.001 0.000 0.225 187 S C 2.039 176.537 174.600 -0.170 0.000 1.030 187 S CA 1.106 59.165 58.200 -0.235 0.000 0.999 187 S CB -0.670 62.444 63.200 -0.144 0.000 0.844 187 S HN 0.594 nan 8.310 nan 0.000 0.459 188 I N 1.404 121.871 120.570 -0.172 0.000 2.252 188 I HA -0.115 4.055 4.170 -0.001 0.000 0.245 188 I C 2.824 178.892 176.117 -0.083 0.000 1.102 188 I CA 1.036 62.278 61.300 -0.097 0.000 1.385 188 I CB -0.549 37.399 38.000 -0.086 0.000 1.064 188 I HN 0.391 nan 8.210 nan 0.000 0.414 189 A N 0.739 123.501 122.820 -0.095 0.000 1.858 189 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 189 A C 2.413 179.917 177.584 -0.133 0.000 1.190 189 A CA 1.526 53.512 52.037 -0.085 0.000 0.617 189 A CB -0.633 18.305 19.000 -0.103 0.000 0.827 189 A HN 0.273 nan 8.150 nan 0.000 0.443 190 R N 0.101 120.476 120.500 -0.208 0.000 2.120 190 R HA -0.093 4.247 4.340 -0.001 0.000 0.234 190 R C 1.734 177.971 176.300 -0.105 0.000 1.123 190 R CA 1.462 57.453 56.100 -0.181 0.000 0.975 190 R CB -0.249 29.922 30.300 -0.215 0.000 0.866 190 R HN 0.664 nan 8.270 nan 0.000 0.446 191 S N -1.008 114.639 115.700 -0.089 0.000 2.618 191 S HA 0.187 4.657 4.470 -0.001 0.000 0.242 191 S C 0.790 175.369 174.600 -0.036 0.000 0.972 191 S CA 0.160 58.328 58.200 -0.054 0.000 1.004 191 S CB 0.786 63.959 63.200 -0.045 0.000 0.778 191 S HN 0.444 nan 8.310 nan 0.000 0.459 192 G N 2.027 110.808 108.800 -0.033 0.000 2.212 192 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.255 192 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.255 192 G C 0.038 174.924 174.900 -0.024 0.000 1.062 192 G CA -0.360 44.734 45.100 -0.009 0.000 0.815 192 G HN 0.725 nan 8.290 nan 0.000 0.497 193 N N -0.893 117.769 118.700 -0.063 0.000 2.771 193 N HA -0.162 4.578 4.740 -0.001 0.000 0.249 193 N C -0.491 174.905 175.510 -0.189 0.000 1.069 193 N CA 1.555 54.497 53.050 -0.181 0.000 0.688 193 N CB -1.356 36.943 38.487 -0.313 0.000 0.928 193 N HN 0.912 nan 8.380 nan 0.000 0.551 194 N N 0.952 119.598 118.700 -0.089 0.000 2.397 194 N HA 0.141 4.881 4.740 -0.001 0.000 0.291 194 N C -0.269 175.244 175.510 0.005 0.000 1.065 194 N CA -0.361 52.666 53.050 -0.038 0.000 0.884 194 N CB 1.186 39.664 38.487 -0.016 0.000 1.551 194 N HN 0.068 nan 8.380 nan 0.000 0.487 195 D N 2.193 122.628 120.400 0.058 0.000 2.339 195 D HA -0.078 4.561 4.640 -0.001 0.000 0.217 195 D C 1.170 177.548 176.300 0.131 0.000 1.050 195 D CA 0.210 54.296 54.000 0.144 0.000 0.856 195 D CB 0.078 41.051 40.800 0.288 0.000 0.922 195 D HN 0.821 nan 8.370 nan 0.000 0.518 196 E N 0.467 120.706 120.200 0.064 0.000 2.106 196 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 196 E C 1.692 178.293 176.600 0.002 0.000 0.984 196 E CA 1.177 57.594 56.400 0.027 0.000 0.806 196 E CB -0.324 29.385 29.700 0.014 0.000 0.750 196 E HN 0.127 nan 8.360 nan 0.000 0.458 197 S N -0.370 115.339 115.700 0.014 0.000 2.402 197 S HA -0.145 4.325 4.470 -0.001 0.000 0.229 197 S C 1.601 176.204 174.600 0.006 0.000 1.021 197 S CA 0.916 59.114 58.200 -0.003 0.000 0.974 197 S CB -0.563 62.635 63.200 -0.004 0.000 0.800 197 S HN 0.505 nan 8.310 nan 0.000 0.484 198 F N 1.920 121.814 119.950 -0.094 0.000 2.163 198 F HA 0.155 4.681 4.527 -0.001 0.000 0.297 198 F C 1.673 177.391 175.800 -0.136 0.000 1.094 198 F CA 1.258 59.188 58.000 -0.118 0.000 1.290 198 F CB -0.460 38.464 39.000 -0.127 0.000 1.017 198 F HN 0.175 nan 8.300 nan 0.000 0.483 199 L N -0.034 120.975 121.223 -0.357 0.000 2.141 199 L HA -0.112 4.228 4.340 -0.001 0.000 0.209 199 L C 2.682 179.363 176.870 -0.316 0.000 1.094 199 L CA 1.034 55.607 54.840 -0.445 0.000 0.763 199 L CB -0.990 40.947 42.059 -0.203 0.000 0.908 199 L HN 0.296 nan 8.230 nan 0.000 0.437 200 A N -0.025 122.673 122.820 -0.203 0.000 1.878 200 A HA -0.064 4.256 4.320 -0.001 0.000 0.213 200 A C 1.886 179.378 177.584 -0.153 0.000 1.192 200 A CA 1.279 53.230 52.037 -0.144 0.000 0.619 200 A CB -0.139 18.809 19.000 -0.086 0.000 0.837 200 A HN 0.404 nan 8.150 nan 0.000 0.446 201 N N -0.602 118.004 118.700 -0.155 0.000 2.332 201 N HA 0.130 4.869 4.740 -0.001 0.000 0.190 201 N C 0.997 176.420 175.510 -0.144 0.000 1.117 201 N CA 0.708 53.685 53.050 -0.121 0.000 0.883 201 N CB -0.120 38.323 38.487 -0.073 0.000 1.089 201 N HN 0.364 nan 8.380 nan 0.000 0.480 202 G N 0.202 108.862 108.800 -0.232 0.000 2.616 202 G HA2 0.302 4.261 3.960 -0.001 0.000 0.268 202 G HA3 0.302 4.261 3.960 -0.001 0.000 0.268 202 G C -0.497 174.250 174.900 -0.255 0.000 1.213 202 G CA -0.026 44.958 45.100 -0.192 0.000 0.926 202 G HN -0.021 nan 8.290 nan 0.000 0.523 203 T N 1.363 115.886 114.554 -0.050 0.000 2.753 203 T HA 0.352 4.702 4.350 -0.001 0.000 0.297 203 T C 0.492 175.223 174.700 0.052 0.000 0.981 203 T CA -0.262 61.825 62.100 -0.021 0.000 0.956 203 T CB 0.519 69.421 68.868 0.056 0.000 0.936 203 T HN 0.393 nan 8.240 nan 0.000 0.463 204 R N 3.846 124.270 120.500 -0.128 0.000 2.594 204 R HA 0.284 4.623 4.340 -0.001 0.000 0.272 204 R C -2.170 174.065 176.300 -0.108 0.000 1.074 204 R CA -1.571 54.468 56.100 -0.101 0.000 1.105 204 R CB 0.153 30.328 30.300 -0.209 0.000 1.008 204 R HN 0.398 nan 8.270 nan 0.000 0.472 205 P HA 0.010 nan 4.420 nan 0.000 0.271 205 P C -0.745 176.250 177.300 -0.508 0.000 1.216 205 P CA 0.007 62.893 63.100 -0.356 0.000 0.776 205 P CB 0.679 32.011 31.700 -0.614 0.000 0.881 206 L N 3.791 124.811 121.223 -0.338 0.000 2.259 206 L HA 0.210 4.550 4.340 -0.001 0.000 0.288 206 L C 0.674 177.375 176.870 -0.283 0.000 1.051 206 L CA -0.436 54.264 54.840 -0.233 0.000 0.824 206 L CB 0.283 42.329 42.059 -0.021 0.000 1.206 206 L HN 0.345 nan 8.230 nan 0.000 0.429 207 Y N -0.271 120.023 120.300 -0.010 0.000 2.466 207 Y HA 0.087 4.636 4.550 -0.001 0.000 0.272 207 Y C 0.681 176.602 175.900 0.034 0.000 1.169 207 Y CA -0.791 57.292 58.100 -0.028 0.000 1.285 207 Y CB -0.237 38.218 38.460 -0.009 0.000 1.078 207 Y HN 0.470 nan 8.280 nan 0.000 0.523 208 D N 1.816 122.321 120.400 0.176 0.000 2.533 208 D HA -0.035 4.604 4.640 -0.001 0.000 0.236 208 D C 0.353 176.789 176.300 0.227 0.000 1.137 208 D CA 0.341 54.443 54.000 0.171 0.000 0.867 208 D CB 0.681 41.564 40.800 0.139 0.000 1.170 208 D HN 0.059 nan 8.370 nan 0.000 0.474 209 R N 3.326 123.946 120.500 0.200 0.000 3.266 209 R HA 0.117 4.457 4.340 -0.001 0.000 0.224 209 R C 1.042 177.465 176.300 0.204 0.000 1.525 209 R CA -0.115 56.126 56.100 0.234 0.000 1.364 209 R CB -0.829 29.574 30.300 0.172 0.000 1.276 209 R HN 0.544 nan 8.270 nan 0.000 0.660 210 I N -2.171 118.549 120.570 0.250 0.000 3.684 210 I HA 0.220 4.390 4.170 -0.001 0.000 0.304 210 I C 0.368 176.521 176.117 0.060 0.000 1.278 210 I CA 0.332 61.707 61.300 0.124 0.000 1.272 210 I CB 0.241 38.306 38.000 0.109 0.000 1.029 210 I HN 0.061 nan 8.210 nan 0.000 0.458 211 I N 3.118 123.747 120.570 0.098 0.000 2.330 211 I HA 0.319 4.489 4.170 -0.001 0.000 0.286 211 I C -0.390 175.823 176.117 0.160 0.000 1.025 211 I CA -0.225 61.164 61.300 0.149 0.000 1.197 211 I CB 0.818 38.912 38.000 0.156 0.000 1.358 211 I HN 0.105 nan 8.210 nan 0.000 0.467 212 K N 7.178 127.567 120.400 -0.019 0.000 2.579 212 K HA 0.393 4.713 4.320 -0.001 0.000 0.225 212 K C -1.461 174.946 176.600 -0.322 0.000 0.992 212 K CA -0.537 55.703 56.287 -0.079 0.000 1.018 212 K CB 1.119 33.562 32.500 -0.095 0.000 1.249 212 K HN 0.440 nan 8.250 nan 0.000 0.489 213 Y N 2.208 122.576 120.300 0.114 0.000 2.584 213 Y HA 0.175 4.724 4.550 -0.001 0.000 0.358 213 Y C -1.714 174.206 175.900 0.035 0.000 1.028 213 Y CA -1.975 56.145 58.100 0.032 0.000 1.148 213 Y CB 0.982 39.406 38.460 -0.061 0.000 1.126 213 Y HN 0.439 nan 8.280 nan 0.000 0.658 214 P HA -0.180 nan 4.420 nan 0.000 0.223 214 P C 1.668 179.032 177.300 0.107 0.000 1.151 214 P CA 1.138 64.314 63.100 0.127 0.000 0.787 214 P CB 0.477 32.225 31.700 0.080 0.000 0.788 215 M N -0.286 119.356 119.600 0.071 0.000 2.099 215 M HA -0.061 4.419 4.480 -0.001 0.000 0.262 215 M C 2.073 178.394 176.300 0.035 0.000 1.067 215 M CA 1.773 57.099 55.300 0.044 0.000 1.124 215 M CB -1.127 31.487 32.600 0.023 0.000 1.353 215 M HN -0.240 nan 8.290 nan 0.000 0.410 216 L N -0.316 120.882 121.223 -0.042 0.000 2.093 216 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 216 L C 1.949 178.884 176.870 0.108 0.000 1.085 216 L CA 0.848 55.593 54.840 -0.158 0.000 0.755 216 L CB -1.102 40.416 42.059 -0.902 0.000 0.904 216 L HN 0.271 nan 8.230 nan 0.000 0.435 217 D N 0.495 121.025 120.400 0.217 0.000 2.106 217 D HA -0.231 4.408 4.640 -0.001 0.000 0.191 217 D C 2.058 178.594 176.300 0.393 0.000 0.997 217 D CA 1.797 56.070 54.000 0.455 0.000 0.834 217 D CB -0.181 40.880 40.800 0.434 0.000 0.956 217 D HN 0.550 nan 8.370 nan 0.000 0.448 218 E N 0.704 121.032 120.200 0.214 0.000 2.208 218 E HA -0.004 4.345 4.350 -0.001 0.000 0.193 218 E C 2.042 178.701 176.600 0.098 0.000 0.988 218 E CA 0.915 57.383 56.400 0.112 0.000 0.828 218 E CB -0.126 29.613 29.700 0.064 0.000 0.763 218 E HN 0.195 nan 8.360 nan 0.000 0.478 219 A N 1.137 124.038 122.820 0.136 0.000 1.898 219 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 219 A C 1.806 179.434 177.584 0.072 0.000 1.181 219 A CA 1.009 53.094 52.037 0.079 0.000 0.620 219 A CB -0.759 18.279 19.000 0.062 0.000 0.819 219 A HN 0.247 nan 8.150 nan 0.000 0.442 220 Y N -0.411 119.944 120.300 0.092 0.000 2.314 220 Y HA -0.022 4.527 4.550 -0.001 0.000 0.293 220 Y C 2.196 178.156 175.900 0.100 0.000 1.129 220 Y CA 0.865 59.056 58.100 0.151 0.000 1.201 220 Y CB -0.277 38.366 38.460 0.305 0.000 0.999 220 Y HN 0.206 nan 8.280 nan 0.000 0.541 221 L N 0.167 121.497 121.223 0.178 0.000 1.994 221 L HA -0.295 4.044 4.340 -0.001 0.000 0.208 221 L C 2.545 179.376 176.870 -0.066 0.000 1.071 221 L CA 1.812 56.588 54.840 -0.106 0.000 0.745 221 L CB -0.422 41.479 42.059 -0.264 0.000 0.892 221 L HN 0.196 nan 8.230 nan 0.000 0.431 222 K N -0.373 120.007 120.400 -0.032 0.000 2.074 222 K HA -0.257 4.063 4.320 -0.001 0.000 0.209 222 K C 2.263 178.838 176.600 -0.043 0.000 1.048 222 K CA 1.338 57.603 56.287 -0.036 0.000 0.926 222 K CB -0.111 32.372 32.500 -0.028 0.000 0.713 222 K HN 0.149 nan 8.250 nan 0.000 0.444 223 R N 0.087 120.553 120.500 -0.056 0.000 2.189 223 R HA -0.031 4.309 4.340 -0.001 0.000 0.218 223 R C 1.669 177.932 176.300 -0.062 0.000 1.074 223 R CA 1.025 57.075 56.100 -0.084 0.000 0.991 223 R CB -0.071 30.132 30.300 -0.162 0.000 0.883 223 R HN 0.245 nan 8.270 nan 0.000 0.457 224 A N 1.329 124.128 122.820 -0.035 0.000 2.167 224 A HA -0.031 4.289 4.320 -0.001 0.000 0.214 224 A C 0.066 177.662 177.584 0.021 0.000 1.151 224 A CA 0.358 52.387 52.037 -0.013 0.000 0.735 224 A CB -0.107 18.883 19.000 -0.018 0.000 0.802 224 A HN 0.377 nan 8.150 nan 0.000 0.467 225 K N -1.053 119.350 120.400 0.004 0.000 4.405 225 K HA -0.134 4.185 4.320 -0.001 0.000 0.287 225 K C 0.240 176.882 176.600 0.070 0.000 0.905 225 K CA 0.459 56.763 56.287 0.028 0.000 0.867 225 K CB -2.166 30.354 32.500 0.032 0.000 1.652 225 K HN 0.160 nan 8.250 nan 0.000 0.435 226 V N 1.462 121.393 119.914 0.029 0.000 2.719 226 V HA -0.180 3.940 4.120 -0.001 0.000 0.252 226 V C 2.584 178.732 176.094 0.090 0.000 1.065 226 V CA 2.034 64.353 62.300 0.031 0.000 1.086 226 V CB -0.079 31.698 31.823 -0.077 0.000 0.700 226 V HN 0.706 nan 8.190 nan 0.000 0.467 227 E N 0.588 120.825 120.200 0.062 0.000 2.274 227 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 227 E C 1.869 178.516 176.600 0.078 0.000 0.996 227 E CA 1.435 57.873 56.400 0.063 0.000 0.840 227 E CB -0.353 29.368 29.700 0.035 0.000 0.772 227 E HN 0.694 nan 8.360 nan 0.000 0.491 228 S N -0.862 114.893 115.700 0.091 0.000 2.539 228 S HA 0.107 4.577 4.470 -0.001 0.000 0.221 228 S C 1.439 176.107 174.600 0.112 0.000 0.987 228 S CA -0.541 57.706 58.200 0.079 0.000 0.929 228 S CB -0.671 62.556 63.200 0.046 0.000 0.832 228 S HN 0.195 nan 8.310 nan 0.000 0.492 229 F N 3.765 123.729 119.950 0.022 0.000 2.069 229 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 229 F C 2.273 178.113 175.800 0.067 0.000 1.113 229 F CA 2.012 60.038 58.000 0.044 0.000 1.214 229 F CB -0.663 38.348 39.000 0.018 0.000 0.978 229 F HN 0.259 nan 8.300 nan 0.000 0.474 230 N N 0.997 119.788 118.700 0.152 0.000 2.037 230 N HA -0.283 4.457 4.740 -0.001 0.000 0.196 230 N C 1.867 177.362 175.510 -0.025 0.000 1.034 230 N CA 2.204 55.284 53.050 0.050 0.000 0.861 230 N CB -0.566 37.975 38.487 0.091 0.000 1.039 230 N HN 0.720 nan 8.380 nan 0.000 0.427 231 E N -1.079 119.116 120.200 -0.008 0.000 2.274 231 E HA -0.110 4.240 4.350 -0.001 0.000 0.194 231 E C 0.509 177.077 176.600 -0.053 0.000 0.996 231 E CA 1.069 57.457 56.400 -0.020 0.000 0.840 231 E CB -0.117 29.581 29.700 -0.003 0.000 0.772 231 E HN 0.262 nan 8.360 nan 0.000 0.491 232 D N 0.097 120.445 120.400 -0.088 0.000 2.271 232 D HA -0.030 4.609 4.640 -0.001 0.000 0.206 232 D C -0.150 176.043 176.300 -0.179 0.000 0.967 232 D CA 0.305 54.237 54.000 -0.113 0.000 0.867 232 D CB -0.225 40.524 40.800 -0.085 0.000 0.960 232 D HN 0.182 nan 8.370 nan 0.000 0.509 233 Y N 2.185 122.234 120.300 -0.420 0.000 2.569 233 Y HA 0.246 4.796 4.550 -0.001 0.000 0.332 233 Y C -0.111 175.657 175.900 -0.221 0.000 1.120 233 Y CA -0.640 57.186 58.100 -0.457 0.000 1.416 233 Y CB 0.288 38.297 38.460 -0.751 0.000 1.210 233 Y HN -0.224 nan 8.280 nan 0.000 0.528 234 V N 2.999 122.385 119.914 -0.880 0.000 3.007 234 V HA 0.607 4.727 4.120 -0.001 0.000 0.311 234 V C -0.137 175.481 176.094 -0.793 0.000 1.120 234 V CA -0.527 61.379 62.300 -0.658 0.000 0.980 234 V CB 1.280 32.919 31.823 -0.307 0.000 1.033 234 V HN 0.876 nan 8.190 nan 0.000 0.429 235 T N 0.780 115.065 114.554 -0.449 0.000 2.926 235 T HA 0.381 4.730 4.350 -0.001 0.000 0.307 235 T C 0.074 174.678 174.700 -0.160 0.000 1.059 235 T CA -0.050 61.903 62.100 -0.244 0.000 1.122 235 T CB 0.752 69.572 68.868 -0.080 0.000 0.972 235 T HN 0.913 nan 8.240 nan 0.000 0.545 236 Q N 1.303 121.052 119.800 -0.084 0.000 2.333 236 Q HA 0.257 4.597 4.340 -0.001 0.000 0.365 236 Q C -0.617 175.405 176.000 0.038 0.000 0.882 236 Q CA -0.368 55.431 55.803 -0.008 0.000 1.124 236 Q CB 0.988 29.733 28.738 0.011 0.000 1.345 236 Q HN 0.680 nan 8.270 nan 0.000 0.409 237 S N 0.924 116.618 115.700 -0.011 0.000 2.545 237 S HA 0.300 4.770 4.470 -0.001 0.000 0.275 237 S C 0.154 174.704 174.600 -0.084 0.000 1.299 237 S CA -0.488 57.693 58.200 -0.032 0.000 1.048 237 S CB 0.800 63.982 63.200 -0.031 0.000 0.938 237 S HN 0.386 nan 8.310 nan 0.000 0.496 238 L N 2.776 123.898 121.223 -0.167 0.000 2.410 238 L HA 0.472 4.812 4.340 -0.001 0.000 0.273 238 L C 0.381 176.984 176.870 -0.445 0.000 1.152 238 L CA 0.040 54.607 54.840 -0.455 0.000 0.855 238 L CB 0.358 41.935 42.059 -0.804 0.000 1.129 238 L HN 0.783 nan 8.230 nan 0.000 0.463 239 A N 2.638 125.247 122.820 -0.352 0.000 2.515 239 A HA 0.756 5.075 4.320 -0.001 0.000 0.298 239 A C -0.085 177.583 177.584 0.140 0.000 1.059 239 A CA -0.112 51.901 52.037 -0.041 0.000 0.698 239 A CB 1.272 20.264 19.000 -0.014 0.000 1.289 239 A HN 0.713 nan 8.150 nan 0.000 0.404 240 G N 0.712 109.700 108.800 0.313 0.000 2.508 240 G HA2 0.623 4.583 3.960 -0.001 0.000 0.278 240 G HA3 0.623 4.583 3.960 -0.001 0.000 0.278 240 G C -1.972 173.000 174.900 0.121 0.000 1.389 240 G CA -0.846 44.408 45.100 0.255 0.000 1.050 240 G HN 0.691 nan 8.290 nan 0.000 0.522 241 P HA 0.494 nan 4.420 nan 0.000 0.281 241 P C -0.902 176.452 177.300 0.090 0.000 1.264 241 P CA -0.354 62.797 63.100 0.085 0.000 0.824 241 P CB 1.867 33.596 31.700 0.048 0.000 1.092 242 S N -0.596 115.151 115.700 0.079 0.000 2.556 242 S HA 0.356 4.826 4.470 -0.001 0.000 0.271 242 S C -0.106 174.520 174.600 0.043 0.000 1.135 242 S CA -0.528 57.716 58.200 0.073 0.000 0.858 242 S CB 1.147 64.419 63.200 0.121 0.000 1.114 242 S HN 0.544 nan 8.310 nan 0.000 0.468 243 D N 1.939 122.362 120.400 0.038 0.000 2.339 243 D HA 0.127 4.767 4.640 -0.001 0.000 0.217 243 D C 0.045 176.361 176.300 0.027 0.000 1.050 243 D CA 0.146 54.163 54.000 0.028 0.000 0.856 243 D CB -0.015 40.801 40.800 0.026 0.000 0.922 243 D HN 0.391 nan 8.370 nan 0.000 0.518 244 K N 0.416 120.835 120.400 0.032 0.000 2.326 244 K HA 0.330 4.649 4.320 -0.001 0.000 0.275 244 K C -0.054 176.554 176.600 0.013 0.000 1.018 244 K CA -0.189 56.113 56.287 0.026 0.000 0.962 244 K CB 1.329 33.853 32.500 0.039 0.000 0.953 244 K HN 0.139 nan 8.250 nan 0.000 0.475 245 L N 2.365 123.591 121.223 0.005 0.000 2.334 245 L HA 0.503 4.843 4.340 -0.001 0.000 0.273 245 L C -0.040 176.808 176.870 -0.037 0.000 1.013 245 L CA -0.933 53.905 54.840 -0.004 0.000 0.816 245 L CB 1.759 43.822 42.059 0.007 0.000 1.278 245 L HN 0.536 nan 8.230 nan 0.000 0.431 246 R N 2.014 122.477 120.500 -0.062 0.000 2.387 246 R HA 0.819 5.158 4.340 -0.001 0.000 0.314 246 R C -1.304 174.901 176.300 -0.160 0.000 0.958 246 R CA -0.250 55.765 56.100 -0.141 0.000 0.846 246 R CB 1.693 31.834 30.300 -0.265 0.000 1.147 246 R HN 0.786 nan 8.270 nan 0.000 0.447 247 A N 2.568 125.263 122.820 -0.209 0.000 2.515 247 A HA 0.635 4.955 4.320 -0.001 0.000 0.296 247 A C -1.137 176.158 177.584 -0.482 0.000 1.094 247 A CA -0.684 51.129 52.037 -0.373 0.000 0.718 247 A CB 2.251 20.962 19.000 -0.481 0.000 1.307 247 A HN 0.629 nan 8.150 nan 0.000 0.408 248 T N 1.392 115.581 114.554 -0.608 0.000 2.792 248 T HA 0.636 4.986 4.350 -0.001 0.000 0.280 248 T C -1.198 173.090 174.700 -0.686 0.000 0.990 248 T CA 0.148 61.972 62.100 -0.460 0.000 0.960 248 T CB 0.222 68.929 68.868 -0.268 0.000 0.939 248 T HN 0.327 nan 8.240 nan 0.000 0.439 249 F N 2.741 122.559 119.950 -0.219 0.000 2.469 249 F HA 0.570 5.096 4.527 -0.001 0.000 0.332 249 F C 0.083 175.780 175.800 -0.171 0.000 1.103 249 F CA -1.366 56.407 58.000 -0.380 0.000 0.979 249 F CB 1.185 39.601 39.000 -0.975 0.000 1.137 249 F HN 0.239 nan 8.300 nan 0.000 0.463 250 I N 4.721 125.364 120.570 0.120 0.000 2.339 250 I HA 0.286 4.456 4.170 -0.001 0.000 0.290 250 I C -0.484 175.795 176.117 0.270 0.000 0.994 250 I CA -0.569 60.820 61.300 0.149 0.000 1.191 250 I CB 1.371 39.415 38.000 0.073 0.000 1.343 250 I HN 0.475 nan 8.210 nan 0.000 0.458 251 L N 6.540 127.889 121.223 0.210 0.000 2.283 251 L HA 0.247 4.586 4.340 -0.001 0.000 0.281 251 L C 0.891 177.794 176.870 0.055 0.000 1.033 251 L CA -0.512 54.406 54.840 0.130 0.000 0.848 251 L CB 1.086 43.214 42.059 0.116 0.000 1.226 251 L HN 0.675 nan 8.230 nan 0.000 0.429 252 T N -1.425 113.144 114.554 0.026 0.000 2.802 252 T HA 0.072 4.422 4.350 -0.001 0.000 0.305 252 T C 1.235 175.932 174.700 -0.006 0.000 1.053 252 T CA -0.369 61.735 62.100 0.007 0.000 1.058 252 T CB 1.319 70.185 68.868 -0.003 0.000 0.988 252 T HN 0.556 nan 8.240 nan 0.000 0.539 253 R N 0.633 121.132 120.500 -0.003 0.000 2.120 253 R HA -0.080 4.260 4.340 -0.001 0.000 0.234 253 R C 2.589 178.879 176.300 -0.016 0.000 1.123 253 R CA 1.329 57.427 56.100 -0.003 0.000 0.975 253 R CB -0.947 29.354 30.300 0.002 0.000 0.866 253 R HN 0.872 nan 8.270 nan 0.000 0.446 254 A N 0.066 122.873 122.820 -0.022 0.000 1.902 254 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 254 A C 2.224 179.777 177.584 -0.052 0.000 1.181 254 A CA 1.359 53.377 52.037 -0.031 0.000 0.623 254 A CB -0.394 18.589 19.000 -0.029 0.000 0.818 254 A HN 0.188 nan 8.150 nan 0.000 0.443 255 V N 0.109 119.980 119.914 -0.071 0.000 2.307 255 V HA -0.239 3.881 4.120 -0.001 0.000 0.245 255 V C 2.409 178.426 176.094 -0.129 0.000 1.045 255 V CA 1.921 64.146 62.300 -0.126 0.000 1.024 255 V CB -0.665 31.059 31.823 -0.164 0.000 0.651 255 V HN 0.568 nan 8.190 nan 0.000 0.449 256 I N 0.586 121.107 120.570 -0.081 0.000 2.208 256 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 256 I C 2.377 178.483 176.117 -0.018 0.000 1.097 256 I CA 1.516 62.789 61.300 -0.045 0.000 1.363 256 I CB -0.509 37.490 38.000 -0.001 0.000 1.051 256 I HN 0.352 nan 8.210 nan 0.000 0.413 257 N N 0.531 119.220 118.700 -0.018 0.000 2.142 257 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 257 N C 1.846 177.350 175.510 -0.010 0.000 1.023 257 N CA 1.180 54.226 53.050 -0.007 0.000 0.852 257 N CB -0.292 38.190 38.487 -0.009 0.000 0.998 257 N HN 0.476 nan 8.380 nan 0.000 0.424 258 Q N 0.345 120.124 119.800 -0.034 0.000 2.124 258 Q HA -0.035 4.304 4.340 -0.001 0.000 0.202 258 Q C 2.168 178.152 176.000 -0.027 0.000 0.977 258 Q CA 0.818 56.597 55.803 -0.040 0.000 0.850 258 Q CB -0.107 28.589 28.738 -0.071 0.000 0.901 258 Q HN 0.379 nan 8.270 nan 0.000 0.429 259 L N 0.538 121.733 121.223 -0.047 0.000 2.027 259 L HA -0.199 4.141 4.340 -0.001 0.000 0.206 259 L C 2.460 179.445 176.870 0.191 0.000 1.074 259 L CA 1.164 56.020 54.840 0.028 0.000 0.745 259 L CB -0.396 41.621 42.059 -0.070 0.000 0.898 259 L HN 0.142 nan 8.230 nan 0.000 0.433 260 K N -0.022 120.447 120.400 0.114 0.000 2.074 260 K HA -0.219 4.100 4.320 -0.001 0.000 0.209 260 K C 1.746 178.386 176.600 0.068 0.000 1.048 260 K CA 1.825 58.168 56.287 0.092 0.000 0.926 260 K CB -0.178 32.351 32.500 0.049 0.000 0.713 260 K HN 0.282 nan 8.250 nan 0.000 0.444 261 D N -0.015 120.414 120.400 0.048 0.000 2.117 261 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 261 D C 1.949 178.275 176.300 0.043 0.000 0.987 261 D CA 0.991 55.010 54.000 0.031 0.000 0.829 261 D CB -0.102 40.707 40.800 0.014 0.000 0.961 261 D HN 0.019 nan 8.370 nan 0.000 0.460 262 R N 0.658 121.202 120.500 0.073 0.000 2.083 262 R HA -0.098 4.242 4.340 -0.001 0.000 0.237 262 R C 2.132 178.487 176.300 0.092 0.000 1.137 262 R CA 0.939 57.098 56.100 0.098 0.000 0.951 262 R CB -0.728 29.668 30.300 0.160 0.000 0.851 262 R HN 0.039 nan 8.270 nan 0.000 0.434 263 V N 0.576 120.550 119.914 0.101 0.000 2.295 263 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 263 V C 2.250 178.342 176.094 -0.003 0.000 1.049 263 V CA 1.946 64.249 62.300 0.006 0.000 1.024 263 V CB -0.445 31.357 31.823 -0.035 0.000 0.648 263 V HN 0.294 nan 8.190 nan 0.000 0.447 264 L N -0.063 121.166 121.223 0.010 0.000 2.141 264 L HA -0.087 4.253 4.340 -0.001 0.000 0.209 264 L C 2.626 179.495 176.870 -0.002 0.000 1.094 264 L CA 1.290 56.130 54.840 -0.001 0.000 0.763 264 L CB -0.719 41.339 42.059 -0.001 0.000 0.908 264 L HN 0.338 nan 8.230 nan 0.000 0.437 265 A N -0.387 122.436 122.820 0.006 0.000 1.872 265 A HA -0.242 4.078 4.320 -0.001 0.000 0.214 265 A C 2.255 179.838 177.584 -0.001 0.000 1.187 265 A CA 1.601 53.641 52.037 0.003 0.000 0.614 265 A CB -0.443 18.563 19.000 0.009 0.000 0.826 265 A HN 0.414 nan 8.150 nan 0.000 0.442 266 Q N -0.955 118.845 119.800 -0.000 0.000 2.172 266 Q HA 0.117 4.456 4.340 -0.001 0.000 0.200 266 Q C -0.060 175.929 176.000 -0.018 0.000 0.964 266 Q CA 0.817 56.615 55.803 -0.008 0.000 0.855 266 Q CB 0.002 28.736 28.738 -0.007 0.000 0.918 266 Q HN 0.559 nan 8.270 nan 0.000 0.444 267 L N 1.813 123.023 121.223 -0.022 0.000 2.556 267 L HA 0.329 4.669 4.340 -0.001 0.000 0.243 267 L C -1.939 174.918 176.870 -0.022 0.000 1.331 267 L CA -1.260 53.564 54.840 -0.027 0.000 0.927 267 L CB 1.384 43.420 42.059 -0.039 0.000 1.219 267 L HN 0.075 nan 8.230 nan 0.000 0.490 268 P HA -0.087 nan 4.420 nan 0.000 0.230 268 P C 0.966 178.253 177.300 -0.021 0.000 1.158 268 P CA 0.980 64.070 63.100 -0.017 0.000 0.769 268 P CB 0.120 31.811 31.700 -0.014 0.000 0.807 269 T N -4.051 110.488 114.554 -0.024 0.000 3.132 269 T HA 0.213 4.562 4.350 -0.001 0.000 0.274 269 T C 0.449 175.125 174.700 -0.040 0.000 1.011 269 T CA -0.589 61.493 62.100 -0.031 0.000 0.899 269 T CB -0.581 68.271 68.868 -0.027 0.000 1.089 269 T HN -0.150 nan 8.240 nan 0.000 0.543 270 L N 2.572 123.775 121.223 -0.032 0.000 2.584 270 L HA 0.260 4.599 4.340 -0.001 0.000 0.272 270 L C 1.204 178.052 176.870 -0.036 0.000 1.195 270 L CA 0.445 55.269 54.840 -0.027 0.000 0.920 270 L CB 0.174 42.225 42.059 -0.012 0.000 1.173 270 L HN 0.223 nan 8.230 nan 0.000 0.489 271 E N 3.543 123.700 120.200 -0.071 0.000 2.347 271 E HA -0.102 4.248 4.350 -0.001 0.000 0.196 271 E C -0.756 175.863 176.600 0.031 0.000 1.008 271 E CA 0.752 57.074 56.400 -0.130 0.000 0.852 271 E CB 0.176 29.586 29.700 -0.484 0.000 0.783 271 E HN 0.636 nan 8.360 nan 0.000 0.505 272 Y N -0.286 120.011 120.300 -0.005 0.000 2.332 272 Y HA 0.344 4.893 4.550 -0.000 0.000 0.325 272 Y C -1.544 174.389 175.900 0.055 0.000 1.054 272 Y CA -0.928 57.212 58.100 0.067 0.000 1.119 272 Y CB 1.299 39.846 38.460 0.146 0.000 1.168 272 Y HN -0.374 nan 8.280 nan 0.000 0.439 273 V N 5.253 125.135 119.914 -0.054 0.000 2.623 273 V HA 0.672 4.792 4.120 -0.001 0.000 0.304 273 V C -0.840 175.216 176.094 -0.062 0.000 1.054 273 V CA -0.518 61.799 62.300 0.029 0.000 0.882 273 V CB 1.667 33.490 31.823 -0.000 0.000 1.002 273 V HN 0.771 nan 8.190 nan 0.000 0.424 274 S N 2.182 117.938 115.700 0.093 0.000 2.651 274 S HA 0.510 4.980 4.470 -0.001 0.000 0.279 274 S C 0.813 175.493 174.600 0.133 0.000 1.148 274 S CA -0.062 58.193 58.200 0.092 0.000 0.837 274 S CB 1.825 65.136 63.200 0.186 0.000 1.138 274 S HN 0.424 nan 8.310 nan 0.000 0.478 275 S N 0.169 115.940 115.700 0.119 0.000 2.374 275 S HA -0.083 4.387 4.470 -0.001 0.000 0.227 275 S C 1.267 175.958 174.600 0.153 0.000 1.037 275 S CA 1.881 60.152 58.200 0.119 0.000 1.024 275 S CB -0.786 62.477 63.200 0.105 0.000 0.861 275 S HN 0.613 nan 8.310 nan 0.000 0.456 276 F N 2.577 122.553 119.950 0.044 0.000 2.075 276 F HA -0.184 4.343 4.527 -0.001 0.000 0.297 276 F C 2.820 178.616 175.800 -0.007 0.000 1.113 276 F CA 1.936 59.937 58.000 0.002 0.000 1.218 276 F CB -1.025 37.941 39.000 -0.058 0.000 0.984 276 F HN 0.315 nan 8.300 nan 0.000 0.472 277 T N -2.192 112.446 114.554 0.140 0.000 2.788 277 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 277 T C 2.031 176.741 174.700 0.016 0.000 1.044 277 T CA 1.531 63.661 62.100 0.050 0.000 1.139 277 T CB -1.225 67.779 68.868 0.227 0.000 0.867 277 T HN 0.144 nan 8.240 nan 0.000 0.454 278 V N 1.740 121.706 119.914 0.085 0.000 2.453 278 V HA 0.031 4.151 4.120 -0.001 0.000 0.247 278 V C 3.199 179.424 176.094 0.219 0.000 1.048 278 V CA 1.447 63.859 62.300 0.188 0.000 1.049 278 V CB -1.225 30.723 31.823 0.208 0.000 0.672 278 V HN 0.706 nan 8.190 nan 0.000 0.457 279 A N -1.125 121.733 122.820 0.065 0.000 1.877 279 A HA -0.257 4.062 4.320 -0.001 0.000 0.216 279 A C 2.367 179.967 177.584 0.026 0.000 1.186 279 A CA 2.163 54.232 52.037 0.054 0.000 0.620 279 A CB -1.174 17.816 19.000 -0.017 0.000 0.822 279 A HN 0.579 nan 8.150 nan 0.000 0.443 280 C N -0.990 118.191 119.300 -0.199 0.000 2.413 280 C HA -0.020 4.440 4.460 -0.001 0.000 0.276 280 C C 3.338 178.182 174.990 -0.243 0.000 1.236 280 C CA 0.957 59.822 59.018 -0.256 0.000 1.735 280 C CB -1.391 26.129 27.740 -0.366 0.000 2.031 280 C HN 0.700 nan 8.230 nan 0.000 0.474 281 A N -1.069 121.729 122.820 -0.036 0.000 1.902 281 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 281 A C 2.001 179.749 177.584 0.273 0.000 1.181 281 A CA 1.768 53.852 52.037 0.078 0.000 0.623 281 A CB -0.989 18.005 19.000 -0.011 0.000 0.818 281 A HN 0.663 nan 8.150 nan 0.000 0.443 282 Y N -0.299 120.189 120.300 0.314 0.000 2.181 282 Y HA -0.176 4.375 4.550 0.000 0.000 0.288 282 Y C 2.051 177.994 175.900 0.070 0.000 1.146 282 Y CA 1.864 60.047 58.100 0.138 0.000 1.164 282 Y CB -0.229 38.151 38.460 -0.133 0.000 0.982 282 Y HN 0.290 nan 8.280 nan 0.000 0.515 283 I N -0.810 119.858 120.570 0.165 0.000 2.315 283 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 283 I C 2.117 178.349 176.117 0.190 0.000 1.117 283 I CA 1.319 62.747 61.300 0.214 0.000 1.404 283 I CB -0.663 37.551 38.000 0.357 0.000 1.071 283 I HN 0.467 nan 8.210 nan 0.000 0.419 284 W N 0.759 121.939 121.300 -0.200 0.000 2.335 284 W HA -0.234 4.426 4.660 -0.001 0.000 0.311 284 W C 2.885 179.331 176.519 -0.122 0.000 1.213 284 W CA 1.771 58.983 57.345 -0.223 0.000 1.274 284 W CB -1.247 27.846 29.460 -0.612 0.000 1.148 284 W HN 0.253 nan 8.180 nan 0.000 0.498 285 S N -0.732 114.906 115.700 -0.102 0.000 2.370 285 S HA -0.224 4.245 4.470 -0.001 0.000 0.226 285 S C 2.024 176.465 174.600 -0.265 0.000 1.033 285 S CA 2.002 60.050 58.200 -0.254 0.000 1.011 285 S CB -0.915 62.147 63.200 -0.232 0.000 0.852 285 S HN 0.302 nan 8.310 nan 0.000 0.457 286 C N 0.888 119.985 119.300 -0.339 0.000 2.446 286 C HA 0.065 4.525 4.460 -0.001 0.000 0.277 286 C C 2.414 177.295 174.990 -0.182 0.000 1.275 286 C CA 0.484 59.243 59.018 -0.432 0.000 1.727 286 C CB -1.472 25.867 27.740 -0.668 0.000 2.010 286 C HN 0.630 nan 8.230 nan 0.000 0.486 287 I N 1.614 122.290 120.570 0.177 0.000 2.208 287 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 287 I C 2.764 179.010 176.117 0.215 0.000 1.097 287 I CA 1.664 63.197 61.300 0.388 0.000 1.363 287 I CB -0.561 37.745 38.000 0.509 0.000 1.051 287 I HN 0.285 nan 8.210 nan 0.000 0.413 288 A N 0.534 123.417 122.820 0.104 0.000 1.865 288 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 288 A C 2.398 179.974 177.584 -0.014 0.000 1.191 288 A CA 2.035 54.076 52.037 0.006 0.000 0.623 288 A CB -0.611 18.289 19.000 -0.166 0.000 0.826 288 A HN 0.328 nan 8.150 nan 0.000 0.444 289 K N -0.474 119.886 120.400 -0.066 0.000 2.097 289 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 289 K C 2.422 179.013 176.600 -0.015 0.000 1.049 289 K CA 1.557 57.803 56.287 -0.068 0.000 0.933 289 K CB -0.178 32.243 32.500 -0.131 0.000 0.717 289 K HN 0.504 nan 8.250 nan 0.000 0.442 290 S N 0.192 115.906 115.700 0.023 0.000 2.371 290 S HA -0.063 4.407 4.470 -0.001 0.000 0.224 290 S C 1.956 176.628 174.600 0.119 0.000 1.029 290 S CA 0.670 58.934 58.200 0.107 0.000 0.978 290 S CB -0.051 63.316 63.200 0.278 0.000 0.833 290 S HN 0.263 nan 8.310 nan 0.000 0.466 291 R N 1.197 121.771 120.500 0.124 0.000 2.075 291 R HA 0.103 4.443 4.340 -0.001 0.000 0.226 291 R C 0.848 177.192 176.300 0.074 0.000 1.114 291 R CA 0.863 57.029 56.100 0.110 0.000 0.972 291 R CB -1.457 28.923 30.300 0.133 0.000 0.869 291 R HN 0.614 nan 8.270 nan 0.000 0.437 292 N N 1.723 120.455 118.700 0.052 0.000 2.714 292 N HA -0.159 4.581 4.740 -0.001 0.000 0.252 292 N C -0.594 174.938 175.510 0.036 0.000 1.014 292 N CA 0.914 53.982 53.050 0.030 0.000 0.735 292 N CB -0.649 37.852 38.487 0.023 0.000 0.924 292 N HN 0.440 nan 8.380 nan 0.000 0.540 293 D N -1.155 119.275 120.400 0.049 0.000 2.466 293 D HA 0.280 4.919 4.640 -0.001 0.000 0.271 293 D C 0.797 177.124 176.300 0.045 0.000 1.193 293 D CA -0.045 53.987 54.000 0.054 0.000 1.103 293 D CB 0.144 40.989 40.800 0.076 0.000 1.184 293 D HN 0.300 nan 8.370 nan 0.000 0.593 294 K N -1.745 118.687 120.400 0.054 0.000 2.273 294 K HA 0.327 4.646 4.320 -0.001 0.000 0.206 294 K C -0.133 176.500 176.600 0.056 0.000 1.072 294 K CA -0.108 56.206 56.287 0.046 0.000 0.953 294 K CB 0.627 33.153 32.500 0.043 0.000 1.043 294 K HN 0.155 nan 8.250 nan 0.000 0.477 295 L N 1.361 122.635 121.223 0.084 0.000 2.505 295 L HA 0.283 4.622 4.340 -0.001 0.000 0.266 295 L C -2.062 174.911 176.870 0.171 0.000 0.954 295 L CA -0.287 54.619 54.840 0.110 0.000 0.852 295 L CB 2.116 44.230 42.059 0.092 0.000 1.282 295 L HN 0.007 nan 8.230 nan 0.000 0.403 296 Q N 4.287 124.241 119.800 0.256 0.000 2.375 296 Q HA 0.581 4.921 4.340 -0.001 0.000 0.271 296 Q C -1.548 174.732 176.000 0.467 0.000 1.074 296 Q CA -0.876 55.166 55.803 0.397 0.000 0.808 296 Q CB 3.355 32.459 28.738 0.610 0.000 1.327 296 Q HN 0.703 nan 8.270 nan 0.000 0.441 297 L N 2.252 123.663 121.223 0.313 0.000 2.329 297 L HA 0.652 4.991 4.340 -0.001 0.000 0.279 297 L C -1.658 175.200 176.870 -0.020 0.000 1.014 297 L CA -0.683 54.264 54.840 0.179 0.000 0.814 297 L CB 0.957 43.097 42.059 0.135 0.000 1.257 297 L HN 0.629 nan 8.230 nan 0.000 0.424 298 F N 4.032 123.630 119.950 -0.587 0.000 2.539 298 F HA 0.809 5.335 4.527 -0.001 0.000 0.318 298 F C -0.096 175.433 175.800 -0.452 0.000 1.135 298 F CA -0.196 57.333 58.000 -0.784 0.000 0.915 298 F CB 1.825 39.677 39.000 -1.913 0.000 1.176 298 F HN 0.511 nan 8.300 nan 0.000 0.440 299 G N 3.825 112.281 108.800 -0.575 0.000 2.725 299 G HA2 0.710 4.669 3.960 -0.001 0.000 0.288 299 G HA3 0.710 4.669 3.960 -0.001 0.000 0.288 299 G C -2.093 172.015 174.900 -1.320 0.000 1.399 299 G CA -0.779 43.851 45.100 -0.782 0.000 0.859 299 G HN 0.772 nan 8.290 nan 0.000 0.479 300 F N -1.841 117.232 119.950 -1.462 0.000 2.678 300 F HA 0.769 5.296 4.527 -0.000 0.000 0.308 300 F C -2.898 172.511 175.800 -0.650 0.000 1.118 300 F CA -2.668 54.681 58.000 -1.086 0.000 0.959 300 F CB 1.357 40.199 39.000 -0.263 0.000 1.305 300 F HN 0.422 nan 8.300 nan 0.000 0.443 301 P HA 0.472 nan 4.420 nan 0.000 0.276 301 P C -0.857 176.572 177.300 0.215 0.000 1.244 301 P CA -0.170 63.070 63.100 0.233 0.000 0.801 301 P CB 2.041 33.962 31.700 0.369 0.000 1.006 302 I N 0.963 121.647 120.570 0.189 0.000 2.447 302 I HA 0.206 4.375 4.170 -0.001 0.000 0.287 302 I C 0.131 176.292 176.117 0.072 0.000 1.023 302 I CA -0.801 60.587 61.300 0.148 0.000 1.083 302 I CB 1.759 39.894 38.000 0.226 0.000 1.245 302 I HN 0.197 nan 8.210 nan 0.000 0.434 303 D N 5.842 126.249 120.400 0.011 0.000 2.346 303 D HA 0.094 4.734 4.640 -0.001 0.000 0.260 303 D C 0.965 177.214 176.300 -0.086 0.000 1.252 303 D CA 0.291 54.259 54.000 -0.053 0.000 0.895 303 D CB 0.816 41.583 40.800 -0.054 0.000 1.097 303 D HN 0.411 nan 8.370 nan 0.000 0.489 304 R N 2.888 123.271 120.500 -0.196 0.000 2.297 304 R HA 0.109 4.448 4.340 -0.001 0.000 0.197 304 R C 1.965 178.128 176.300 -0.227 0.000 0.943 304 R CA -0.049 55.893 56.100 -0.264 0.000 1.038 304 R CB 0.385 30.419 30.300 -0.443 0.000 0.957 304 R HN 0.388 nan 8.270 nan 0.000 0.484 305 R N 0.823 121.200 120.500 -0.205 0.000 2.162 305 R HA -0.222 4.118 4.340 -0.001 0.000 0.245 305 R C 2.121 178.361 176.300 -0.100 0.000 1.129 305 R CA 2.188 58.191 56.100 -0.162 0.000 0.940 305 R CB -0.501 29.735 30.300 -0.107 0.000 0.875 305 R HN 0.190 nan 8.270 nan 0.000 0.437 306 A N 0.742 123.525 122.820 -0.062 0.000 2.168 306 A HA -0.053 4.266 4.320 -0.001 0.000 0.215 306 A C 1.612 179.188 177.584 -0.013 0.000 1.152 306 A CA 0.810 52.831 52.037 -0.027 0.000 0.716 306 A CB -0.054 18.940 19.000 -0.010 0.000 0.794 306 A HN 0.172 nan 8.150 nan 0.000 0.465 307 R N -0.929 119.553 120.500 -0.031 0.000 2.290 307 R HA 0.232 4.572 4.340 -0.001 0.000 0.197 307 R C 0.090 176.369 176.300 -0.034 0.000 0.913 307 R CA -0.080 56.020 56.100 0.000 0.000 1.040 307 R CB -0.427 29.895 30.300 0.037 0.000 0.992 307 R HN 0.381 nan 8.270 nan 0.000 0.500 308 M N 1.689 121.249 119.600 -0.066 0.000 2.250 308 M HA 0.083 4.562 4.480 -0.001 0.000 0.325 308 M C 0.251 176.559 176.300 0.014 0.000 1.084 308 M CA 0.375 55.655 55.300 -0.034 0.000 1.161 308 M CB 0.259 32.835 32.600 -0.040 0.000 1.481 308 M HN -0.334 nan 8.290 nan 0.000 0.449 309 K N 3.444 123.874 120.400 0.049 0.000 2.464 309 K HA 0.472 4.792 4.320 -0.001 0.000 0.252 309 K C -2.074 174.569 176.600 0.071 0.000 1.000 309 K CA -1.365 54.956 56.287 0.057 0.000 0.951 309 K CB 0.364 32.901 32.500 0.062 0.000 1.183 309 K HN 0.510 nan 8.250 nan 0.000 0.445 310 P HA 0.383 nan 4.420 nan 0.000 0.276 310 P C -2.709 174.600 177.300 0.014 0.000 1.252 310 P CA -1.533 61.584 63.100 0.028 0.000 0.802 310 P CB -0.050 31.662 31.700 0.020 0.000 1.035 311 P HA 0.078 nan 4.420 nan 0.000 0.267 311 P C -0.224 177.060 177.300 -0.026 0.000 1.200 311 P CA 0.225 63.317 63.100 -0.013 0.000 0.772 311 P CB 0.200 31.897 31.700 -0.005 0.000 0.855 312 I N 4.191 124.724 120.570 -0.060 0.000 2.353 312 I HA 0.278 4.447 4.170 -0.001 0.000 0.293 312 I C -1.993 174.107 176.117 -0.030 0.000 0.992 312 I CA -3.279 57.969 61.300 -0.087 0.000 1.268 312 I CB 0.270 38.129 38.000 -0.235 0.000 1.387 312 I HN 0.169 nan 8.210 nan 0.000 0.478 313 P HA 0.104 nan 4.420 nan 0.000 0.267 313 P C 0.913 178.254 177.300 0.068 0.000 1.200 313 P CA 0.072 63.199 63.100 0.045 0.000 0.772 313 P CB 0.423 32.162 31.700 0.065 0.000 0.855 314 T N 1.226 115.809 114.554 0.049 0.000 2.803 314 T HA -0.186 4.163 4.350 -0.001 0.000 0.269 314 T C 1.640 176.396 174.700 0.094 0.000 1.052 314 T CA 1.832 63.966 62.100 0.057 0.000 1.136 314 T CB -0.519 68.374 68.868 0.042 0.000 0.864 314 T HN 0.500 nan 8.240 nan 0.000 0.467 315 A N 0.347 123.222 122.820 0.091 0.000 2.206 315 A HA 0.134 4.453 4.320 -0.001 0.000 0.211 315 A C 0.796 178.431 177.584 0.085 0.000 1.158 315 A CA -0.205 51.882 52.037 0.084 0.000 0.761 315 A CB -0.890 18.136 19.000 0.042 0.000 0.801 315 A HN 0.585 nan 8.150 nan 0.000 0.473 316 Y N 0.078 120.383 120.300 0.008 0.000 2.865 316 Y HA 0.113 4.663 4.550 -0.001 0.000 0.338 316 Y C -0.198 175.729 175.900 0.045 0.000 1.269 316 Y CA -0.400 57.712 58.100 0.020 0.000 1.585 316 Y CB -0.291 38.171 38.460 0.002 0.000 1.224 316 Y HN 0.247 nan 8.280 nan 0.000 0.554 317 F N 6.903 126.437 119.950 -0.694 0.000 2.424 317 F HA 0.525 5.051 4.527 -0.001 0.000 0.356 317 F C 0.611 176.057 175.800 -0.589 0.000 1.110 317 F CA 1.035 58.752 58.000 -0.472 0.000 1.161 317 F CB 0.030 38.820 39.000 -0.350 0.000 1.115 317 F HN 0.838 nan 8.300 nan 0.000 0.507 318 G N 4.824 113.281 108.800 -0.572 0.000 2.298 318 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.309 318 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.309 318 G C -1.619 173.246 174.900 -0.060 0.000 1.279 318 G CA -1.178 43.781 45.100 -0.236 0.000 1.042 318 G HN 0.609 nan 8.290 nan 0.000 0.480 319 N N -0.571 118.172 118.700 0.071 0.000 2.499 319 N HA 0.463 5.203 4.740 -0.001 0.000 0.281 319 N C -0.834 174.610 175.510 -0.111 0.000 1.098 319 N CA 0.372 53.464 53.050 0.070 0.000 0.979 319 N CB 1.658 40.288 38.487 0.238 0.000 1.121 319 N HN 0.860 nan 8.380 nan 0.000 0.466 320 C N 3.161 122.245 119.300 -0.360 0.000 3.482 320 C HA 0.321 4.781 4.460 -0.001 0.000 0.208 320 C C -0.852 173.662 174.990 -0.793 0.000 1.306 320 C CA -0.445 57.937 59.018 -1.060 0.000 1.254 320 C CB -1.635 25.673 27.740 -0.720 0.000 1.832 320 C HN 0.473 nan 8.230 nan 0.000 0.554 321 V N 1.602 121.185 119.914 -0.551 0.000 2.680 321 V HA 1.033 5.152 4.120 -0.001 0.000 0.309 321 V C 0.519 176.637 176.094 0.041 0.000 1.052 321 V CA 0.098 62.341 62.300 -0.094 0.000 0.908 321 V CB 1.370 33.318 31.823 0.207 0.000 1.001 321 V HN 0.667 nan 8.190 nan 0.000 0.431 322 G N 1.240 110.099 108.800 0.099 0.000 3.108 322 G HA2 0.902 4.861 3.960 -0.001 0.000 0.268 322 G HA3 0.902 4.861 3.960 -0.001 0.000 0.268 322 G C -0.395 174.644 174.900 0.231 0.000 1.361 322 G CA -0.520 44.694 45.100 0.190 0.000 1.047 322 G HN 1.358 nan 8.290 nan 0.000 0.540 323 G N -2.387 106.547 108.800 0.223 0.000 2.690 323 G HA2 0.529 4.489 3.960 -0.001 0.000 0.291 323 G HA3 0.529 4.489 3.960 -0.001 0.000 0.291 323 G C -1.765 173.134 174.900 -0.002 0.000 1.403 323 G CA -0.267 44.958 45.100 0.208 0.000 0.864 323 G HN 1.202 nan 8.290 nan 0.000 0.480 324 C N 0.235 119.349 119.300 -0.311 0.000 2.782 324 C HA 0.945 5.405 4.460 -0.001 0.000 0.328 324 C C -0.096 174.555 174.990 -0.564 0.000 1.145 324 C CA 0.460 59.191 59.018 -0.479 0.000 1.358 324 C CB 0.423 27.716 27.740 -0.745 0.000 1.841 324 C HN 1.543 nan 8.230 nan 0.000 0.477 325 A N 3.204 125.880 122.820 -0.240 0.000 2.556 325 A HA 1.011 5.330 4.320 -0.001 0.000 0.294 325 A C -0.954 176.609 177.584 -0.035 0.000 1.091 325 A CA 0.068 52.032 52.037 -0.122 0.000 0.704 325 A CB 1.546 20.607 19.000 0.101 0.000 1.300 325 A HN 2.193 nan 8.150 nan 0.000 0.406 326 A N 0.618 123.441 122.820 0.006 0.000 2.414 326 A HA 0.820 5.140 4.320 -0.001 0.000 0.306 326 A C -1.101 176.618 177.584 0.226 0.000 1.054 326 A CA -0.368 51.749 52.037 0.134 0.000 0.724 326 A CB 0.876 20.020 19.000 0.239 0.000 1.267 326 A HN 0.811 nan 8.150 nan 0.000 0.418 327 I N 1.012 121.765 120.570 0.306 0.000 2.498 327 I HA 0.710 4.879 4.170 -0.001 0.000 0.290 327 I C 0.127 176.442 176.117 0.331 0.000 1.032 327 I CA -0.410 61.093 61.300 0.338 0.000 1.073 327 I CB 2.202 40.320 38.000 0.196 0.000 1.251 327 I HN 0.841 nan 8.210 nan 0.000 0.426 328 A N 5.200 128.223 122.820 0.338 0.000 2.574 328 A HA 0.562 4.882 4.320 -0.001 0.000 0.297 328 A C -1.068 176.558 177.584 0.069 0.000 1.062 328 A CA -0.865 51.246 52.037 0.124 0.000 0.686 328 A CB 1.437 20.401 19.000 -0.061 0.000 1.285 328 A HN 0.636 nan 8.150 nan 0.000 0.403 329 K N 1.086 121.496 120.400 0.015 0.000 2.451 329 K HA 0.160 4.479 4.320 -0.001 0.000 0.280 329 K C 0.873 177.441 176.600 -0.053 0.000 1.020 329 K CA 0.498 56.785 56.287 0.000 0.000 1.008 329 K CB 0.482 32.977 32.500 -0.007 0.000 0.917 329 K HN 0.737 nan 8.250 nan 0.000 0.478 330 T N 1.896 116.434 114.554 -0.026 0.000 2.699 330 T HA -0.193 4.156 4.350 -0.001 0.000 0.268 330 T C 1.604 176.248 174.700 -0.094 0.000 1.036 330 T CA 1.835 63.900 62.100 -0.060 0.000 1.147 330 T CB -0.259 68.608 68.868 -0.002 0.000 0.862 330 T HN 0.723 nan 8.240 nan 0.000 0.446 331 N N 1.996 120.658 118.700 -0.063 0.000 2.364 331 N HA -0.083 4.657 4.740 -0.001 0.000 0.183 331 N C 1.703 177.159 175.510 -0.090 0.000 1.022 331 N CA 0.860 53.870 53.050 -0.066 0.000 0.883 331 N CB -0.576 37.886 38.487 -0.041 0.000 0.965 331 N HN 0.393 nan 8.380 nan 0.000 0.438 332 L N -0.018 121.140 121.223 -0.109 0.000 2.478 332 L HA 0.122 4.461 4.340 -0.001 0.000 0.223 332 L C 1.707 178.458 176.870 -0.199 0.000 1.140 332 L CA 0.374 55.135 54.840 -0.131 0.000 0.842 332 L CB -0.101 41.888 42.059 -0.117 0.000 0.953 332 L HN 0.101 nan 8.230 nan 0.000 0.452 333 L N -0.896 120.172 121.223 -0.257 0.000 2.664 333 L HA 0.235 4.574 4.340 -0.001 0.000 0.233 333 L C 0.712 177.425 176.870 -0.262 0.000 1.113 333 L CA -0.135 54.485 54.840 -0.366 0.000 0.896 333 L CB 0.535 42.217 42.059 -0.627 0.000 1.163 333 L HN 0.073 nan 8.230 nan 0.000 0.497 334 I N 0.582 121.043 120.570 -0.181 0.000 2.474 334 I HA 0.392 4.562 4.170 -0.001 0.000 0.287 334 I C 1.078 177.128 176.117 -0.112 0.000 1.048 334 I CA 0.321 61.535 61.300 -0.142 0.000 1.383 334 I CB 0.721 38.657 38.000 -0.106 0.000 1.412 334 I HN 0.223 nan 8.210 nan 0.000 0.531 335 G N 5.344 114.077 108.800 -0.112 0.000 2.698 335 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.225 335 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.225 335 G C 0.351 175.232 174.900 -0.032 0.000 1.345 335 G CA -0.209 44.845 45.100 -0.077 0.000 0.871 335 G HN 0.640 nan 8.290 nan 0.000 0.540 336 K N -0.018 120.378 120.400 -0.007 0.000 2.097 336 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 336 K C 2.298 178.949 176.600 0.086 0.000 1.049 336 K CA 1.780 58.099 56.287 0.052 0.000 0.933 336 K CB -0.124 32.392 32.500 0.027 0.000 0.717 336 K HN 0.455 nan 8.250 nan 0.000 0.442 337 E N -0.095 120.116 120.200 0.019 0.000 2.152 337 E HA -0.086 4.264 4.350 -0.001 0.000 0.192 337 E C 2.138 178.711 176.600 -0.045 0.000 0.983 337 E CA 0.959 57.353 56.400 -0.010 0.000 0.818 337 E CB -0.340 29.342 29.700 -0.030 0.000 0.758 337 E HN 0.437 nan 8.360 nan 0.000 0.467 338 G N 0.816 109.581 108.800 -0.058 0.000 2.418 338 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.217 338 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.217 338 G C 1.494 176.325 174.900 -0.114 0.000 1.158 338 G CA 0.712 45.739 45.100 -0.121 0.000 0.771 338 G HN 0.326 nan 8.290 nan 0.000 0.545 339 F N 1.659 121.517 119.950 -0.154 0.000 2.134 339 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 339 F C 2.333 178.091 175.800 -0.070 0.000 1.097 339 F CA 0.894 58.825 58.000 -0.114 0.000 1.264 339 F CB -0.076 38.898 39.000 -0.044 0.000 1.001 339 F HN 0.031 nan 8.300 nan 0.000 0.479 340 I N 0.450 120.822 120.570 -0.329 0.000 2.179 340 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 340 I C 2.313 178.251 176.117 -0.298 0.000 1.088 340 I CA 1.793 62.862 61.300 -0.386 0.000 1.357 340 I CB -1.996 35.919 38.000 -0.140 0.000 1.051 340 I HN 0.185 nan 8.210 nan 0.000 0.409 341 T N 1.598 116.026 114.554 -0.211 0.000 2.684 341 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 341 T C 2.120 176.708 174.700 -0.186 0.000 1.036 341 T CA 1.630 63.626 62.100 -0.174 0.000 1.148 341 T CB -0.391 68.377 68.868 -0.167 0.000 0.863 341 T HN 0.458 nan 8.240 nan 0.000 0.436 342 A N 1.586 124.252 122.820 -0.256 0.000 1.883 342 A HA 0.052 4.371 4.320 -0.001 0.000 0.217 342 A C 2.663 180.209 177.584 -0.063 0.000 1.186 342 A CA 2.046 53.976 52.037 -0.178 0.000 0.624 342 A CB -1.186 17.694 19.000 -0.201 0.000 0.822 342 A HN 0.530 nan 8.150 nan 0.000 0.444 343 A N -0.476 122.197 122.820 -0.245 0.000 1.898 343 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 343 A C 2.143 179.688 177.584 -0.065 0.000 1.181 343 A CA 1.965 53.882 52.037 -0.200 0.000 0.620 343 A CB -0.464 18.273 19.000 -0.439 0.000 0.819 343 A HN 0.567 nan 8.150 nan 0.000 0.442 344 K N -0.198 120.149 120.400 -0.088 0.000 2.009 344 K HA -0.117 4.203 4.320 -0.001 0.000 0.210 344 K C 1.902 178.524 176.600 0.037 0.000 1.049 344 K CA 1.657 57.928 56.287 -0.027 0.000 0.929 344 K CB -0.338 32.133 32.500 -0.049 0.000 0.714 344 K HN 0.492 nan 8.250 nan 0.000 0.440 345 L N 0.673 121.931 121.223 0.059 0.000 2.056 345 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 345 L C 2.470 179.446 176.870 0.177 0.000 1.078 345 L CA 0.957 55.874 54.840 0.128 0.000 0.749 345 L CB -0.384 41.786 42.059 0.184 0.000 0.901 345 L HN 0.227 nan 8.230 nan 0.000 0.433 346 I N 0.030 120.727 120.570 0.212 0.000 2.142 346 I HA -0.195 3.975 4.170 -0.001 0.000 0.240 346 I C 2.700 178.941 176.117 0.207 0.000 1.078 346 I CA 1.489 62.938 61.300 0.248 0.000 1.343 346 I CB -0.934 37.224 38.000 0.263 0.000 1.046 346 I HN 0.256 nan 8.210 nan 0.000 0.405 347 G N 0.316 109.222 108.800 0.177 0.000 2.446 347 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.217 347 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.217 347 G C 1.530 176.536 174.900 0.176 0.000 1.168 347 G CA 0.819 46.044 45.100 0.208 0.000 0.771 347 G HN 0.408 nan 8.290 nan 0.000 0.551 348 E N 0.291 120.569 120.200 0.129 0.000 2.051 348 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 348 E C 2.528 179.195 176.600 0.113 0.000 0.991 348 E CA 1.145 57.613 56.400 0.115 0.000 0.799 348 E CB -0.121 29.626 29.700 0.078 0.000 0.748 348 E HN 0.405 nan 8.360 nan 0.000 0.449 349 N N 0.241 118.994 118.700 0.087 0.000 2.142 349 N HA -0.142 4.598 4.740 -0.001 0.000 0.186 349 N C 1.632 177.131 175.510 -0.019 0.000 1.023 349 N CA 0.525 53.596 53.050 0.036 0.000 0.852 349 N CB -0.054 38.452 38.487 0.033 0.000 0.998 349 N HN 0.026 nan 8.380 nan 0.000 0.424 350 L N 0.497 121.720 121.223 0.000 0.000 2.027 350 L HA -0.159 4.181 4.340 -0.001 0.000 0.206 350 L C 2.158 178.928 176.870 -0.167 0.000 1.074 350 L CA 1.795 56.573 54.840 -0.104 0.000 0.745 350 L CB -0.955 41.029 42.059 -0.124 0.000 0.898 350 L HN 0.389 nan 8.230 nan 0.000 0.433 351 H N -0.097 118.898 119.070 -0.126 0.000 2.319 351 H HA -0.263 4.293 4.556 -0.001 0.000 0.299 351 H C 2.228 177.530 175.328 -0.044 0.000 1.092 351 H CA 2.250 58.288 56.048 -0.018 0.000 1.302 351 H CB 0.239 30.061 29.762 0.099 0.000 1.373 351 H HN 0.345 nan 8.280 nan 0.000 0.497 352 K N 0.111 120.495 120.400 -0.026 0.000 2.032 352 K HA -0.107 4.213 4.320 -0.001 0.000 0.209 352 K C 2.313 178.787 176.600 -0.210 0.000 1.048 352 K CA 2.211 58.447 56.287 -0.085 0.000 0.927 352 K CB -0.413 32.084 32.500 -0.006 0.000 0.712 352 K HN 0.182 nan 8.250 nan 0.000 0.441 353 T N 1.485 115.883 114.554 -0.260 0.000 2.684 353 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 353 T C 1.678 175.955 174.700 -0.706 0.000 1.036 353 T CA 1.671 63.495 62.100 -0.460 0.000 1.148 353 T CB -0.234 68.372 68.868 -0.436 0.000 0.863 353 T HN 0.152 nan 8.240 nan 0.000 0.436 354 L N 1.206 122.136 121.223 -0.489 0.000 2.083 354 L HA -0.114 4.226 4.340 -0.001 0.000 0.209 354 L C 2.975 179.718 176.870 -0.212 0.000 1.083 354 L CA 1.570 56.216 54.840 -0.323 0.000 0.752 354 L CB -1.358 40.609 42.059 -0.153 0.000 0.899 354 L HN 0.462 nan 8.230 nan 0.000 0.433 355 T N -3.357 111.026 114.554 -0.285 0.000 2.777 355 T HA -0.138 4.211 4.350 -0.001 0.000 0.266 355 T C 1.438 176.082 174.700 -0.093 0.000 1.040 355 T CA 1.100 63.088 62.100 -0.187 0.000 1.141 355 T CB -0.348 68.385 68.868 -0.225 0.000 0.868 355 T HN 0.200 nan 8.240 nan 0.000 0.444 356 D N 0.608 120.929 120.400 -0.132 0.000 2.144 356 D HA -0.060 4.579 4.640 -0.001 0.000 0.199 356 D C 1.840 178.184 176.300 0.074 0.000 0.984 356 D CA 0.947 54.915 54.000 -0.052 0.000 0.834 356 D CB -0.390 40.359 40.800 -0.085 0.000 0.955 356 D HN 0.371 nan 8.370 nan 0.000 0.465 357 Y N 1.061 121.346 120.300 -0.025 0.000 2.145 357 Y HA -0.082 4.468 4.550 -0.001 0.000 0.286 357 Y C 2.422 178.320 175.900 -0.003 0.000 1.145 357 Y CA 0.502 58.597 58.100 -0.009 0.000 1.148 357 Y CB -0.802 37.654 38.460 -0.005 0.000 0.981 357 Y HN -0.068 nan 8.280 nan 0.000 0.507 358 K N 0.019 120.515 120.400 0.160 0.000 2.152 358 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 358 K C 0.255 176.896 176.600 0.068 0.000 1.048 358 K CA 1.637 57.979 56.287 0.091 0.000 0.933 358 K CB -0.054 32.477 32.500 0.050 0.000 0.721 358 K HN 0.205 nan 8.250 nan 0.000 0.447 359 D N -1.106 119.330 120.400 0.059 0.000 2.587 359 D HA 0.140 4.779 4.640 -0.001 0.000 0.233 359 D C 0.773 177.105 176.300 0.053 0.000 1.213 359 D CA 0.646 54.674 54.000 0.046 0.000 0.827 359 D CB 0.860 41.677 40.800 0.029 0.000 1.006 359 D HN 0.445 nan 8.370 nan 0.000 0.490 360 G N 0.060 108.902 108.800 0.070 0.000 2.317 360 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.227 360 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.227 360 G C 0.577 175.510 174.900 0.054 0.000 1.042 360 G CA -0.001 45.137 45.100 0.063 0.000 0.623 360 G HN 0.324 nan 8.290 nan 0.000 0.509 361 V N 1.941 121.895 119.914 0.066 0.000 2.644 361 V HA 0.226 4.345 4.120 -0.001 0.000 0.305 361 V C 1.764 177.891 176.094 0.055 0.000 1.053 361 V CA 1.483 63.815 62.300 0.053 0.000 1.186 361 V CB 1.265 33.123 31.823 0.059 0.000 0.895 361 V HN 0.392 nan 8.190 nan 0.000 0.490 362 L N 3.649 124.845 121.223 -0.045 0.000 2.575 362 L HA 0.206 4.546 4.340 -0.001 0.000 0.228 362 L C 1.233 178.028 176.870 -0.126 0.000 1.075 362 L CA 0.227 54.969 54.840 -0.163 0.000 0.867 362 L CB -0.021 41.792 42.059 -0.410 0.000 1.097 362 L HN 0.682 nan 8.230 nan 0.000 0.485 363 K N 0.583 120.951 120.400 -0.054 0.000 2.098 363 K HA 0.173 4.492 4.320 -0.001 0.000 0.261 363 K C -0.310 176.338 176.600 0.080 0.000 0.987 363 K CA -0.251 56.049 56.287 0.022 0.000 0.916 363 K CB 1.327 33.839 32.500 0.020 0.000 1.039 363 K HN -0.003 nan 8.250 nan 0.000 0.455 371 D N 1.223 121.622 120.400 -0.002 0.000 2.263 371 D HA -0.007 4.633 4.640 -0.001 0.000 0.208 371 D C 1.775 178.083 176.300 0.014 0.000 0.971 371 D CA 0.805 54.809 54.000 0.006 0.000 0.867 371 D CB 0.279 41.085 40.800 0.009 0.000 0.929 371 D HN 0.494 nan 8.370 nan 0.000 0.492 372 L N -0.418 120.814 121.223 0.014 0.000 2.156 372 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 372 L C 2.380 179.261 176.870 0.020 0.000 1.095 372 L CA 0.283 55.137 54.840 0.022 0.000 0.770 372 L CB -0.180 41.893 42.059 0.024 0.000 0.914 372 L HN -0.057 nan 8.230 nan 0.000 0.439 373 V N -0.834 119.087 119.914 0.012 0.000 2.343 373 V HA -0.308 3.812 4.120 -0.001 0.000 0.247 373 V C 2.691 178.792 176.094 0.012 0.000 1.051 373 V CA 2.140 64.446 62.300 0.010 0.000 1.036 373 V CB -0.298 31.527 31.823 0.005 0.000 0.654 373 V HN 0.463 nan 8.190 nan 0.000 0.451 374 S N -0.394 115.313 115.700 0.011 0.000 2.335 374 S HA -0.174 4.295 4.470 -0.001 0.000 0.217 374 S C 1.921 176.531 174.600 0.017 0.000 1.032 374 S CA 1.634 59.841 58.200 0.012 0.000 0.985 374 S CB -0.214 62.992 63.200 0.010 0.000 0.896 374 S HN 0.730 nan 8.310 nan 0.000 0.445 375 E N 0.019 120.232 120.200 0.021 0.000 2.285 375 E HA 0.252 4.601 4.350 -0.001 0.000 0.194 375 E C 0.771 177.391 176.600 0.033 0.000 0.997 375 E CA 0.388 56.804 56.400 0.027 0.000 0.845 375 E CB 0.046 29.765 29.700 0.031 0.000 0.782 375 E HN 0.580 nan 8.360 nan 0.000 0.491 376 G N 1.247 110.067 108.800 0.033 0.000 2.542 376 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.391 376 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.391 376 G C -0.637 174.290 174.900 0.044 0.000 1.551 376 G CA -0.983 44.140 45.100 0.038 0.000 0.946 376 G HN -0.130 nan 8.290 nan 0.000 0.662 377 M N 2.424 122.048 119.600 0.040 0.000 2.194 377 M HA 0.223 4.703 4.480 -0.001 0.000 0.347 377 M C -2.075 174.260 176.300 0.058 0.000 1.439 377 M CA -1.443 53.882 55.300 0.043 0.000 1.131 377 M CB 0.299 32.919 32.600 0.034 0.000 1.733 377 M HN 0.247 nan 8.290 nan 0.000 0.467 378 P HA 0.115 nan 4.420 nan 0.000 0.271 378 P C 0.785 178.137 177.300 0.087 0.000 1.216 378 P CA 0.019 63.177 63.100 0.095 0.000 0.771 378 P CB 0.362 32.130 31.700 0.114 0.000 0.864 379 T N -1.641 112.969 114.554 0.094 0.000 3.088 379 T HA 0.070 4.419 4.350 -0.001 0.000 0.259 379 T C 0.450 175.212 174.700 0.103 0.000 1.122 379 T CA 0.584 62.736 62.100 0.086 0.000 1.095 379 T CB -0.336 68.578 68.868 0.077 0.000 0.930 379 T HN 0.361 nan 8.240 nan 0.000 0.508 380 T N 1.921 116.556 114.554 0.136 0.000 2.952 380 T HA 0.638 4.988 4.350 -0.001 0.000 0.305 380 T C -1.059 173.741 174.700 0.168 0.000 1.064 380 T CA -0.704 61.489 62.100 0.156 0.000 1.008 380 T CB 1.932 70.922 68.868 0.203 0.000 1.078 380 T HN 0.183 nan 8.240 nan 0.000 0.459 381 M N 2.522 122.202 119.600 0.133 0.000 2.263 381 M HA 0.462 4.942 4.480 -0.001 0.000 0.295 381 M C -0.910 175.445 176.300 0.092 0.000 1.028 381 M CA -0.691 54.678 55.300 0.114 0.000 0.921 381 M CB 2.474 35.128 32.600 0.090 0.000 1.601 381 M HN 0.458 nan 8.290 nan 0.000 0.440 382 T N 2.448 117.020 114.554 0.031 0.000 2.841 382 T HA 0.431 4.780 4.350 -0.001 0.000 0.285 382 T C -1.573 173.019 174.700 -0.181 0.000 0.991 382 T CA -0.547 61.511 62.100 -0.070 0.000 0.966 382 T CB 1.622 70.424 68.868 -0.111 0.000 0.962 382 T HN 0.601 nan 8.240 nan 0.000 0.438 383 W N 4.115 125.257 121.300 -0.263 0.000 2.587 383 W HA 0.547 5.207 4.660 -0.000 0.000 0.324 383 W C -1.112 175.316 176.519 -0.153 0.000 1.040 383 W CA -0.827 56.386 57.345 -0.220 0.000 1.222 383 W CB 1.380 30.806 29.460 -0.057 0.000 1.381 383 W HN 0.319 nan 8.180 nan 0.000 0.483 384 V N 4.854 124.521 119.914 -0.412 0.000 2.488 384 V HA 0.059 4.179 4.120 -0.001 0.000 0.277 384 V C 0.502 176.607 176.094 0.017 0.000 1.046 384 V CA 0.181 62.392 62.300 -0.148 0.000 0.986 384 V CB 1.068 32.862 31.823 -0.048 0.000 0.989 384 V HN 0.489 nan 8.190 nan 0.000 0.475 385 S N 3.727 119.475 115.700 0.079 0.000 2.525 385 S HA 0.859 5.329 4.470 -0.001 0.000 0.290 385 S C -0.008 174.634 174.600 0.070 0.000 1.152 385 S CA 0.439 58.691 58.200 0.087 0.000 1.072 385 S CB 1.073 64.308 63.200 0.060 0.000 1.027 385 S HN 1.848 nan 8.310 nan 0.000 0.500 386 G N 1.799 110.633 108.800 0.055 0.000 2.440 386 G HA2 0.231 4.191 3.960 -0.001 0.000 0.684 386 G HA3 0.231 4.191 3.960 -0.001 0.000 0.684 386 G C -0.561 174.396 174.900 0.095 0.000 1.309 386 G CA -0.248 44.883 45.100 0.052 0.000 0.931 386 G HN 1.637 nan 8.290 nan 0.000 0.612 387 T N -1.444 113.182 114.554 0.120 0.000 3.160 387 T HA 0.622 4.972 4.350 -0.001 0.000 0.346 387 T C -1.717 173.055 174.700 0.119 0.000 1.027 387 T CA -0.868 61.291 62.100 0.100 0.000 1.287 387 T CB 2.234 71.174 68.868 0.121 0.000 0.997 387 T HN 0.316 nan 8.240 nan 0.000 0.518 388 P HA -0.083 nan 4.420 nan 0.000 0.217 388 P C 0.998 178.338 177.300 0.066 0.000 1.148 388 P CA 1.122 64.300 63.100 0.129 0.000 0.828 388 P CB 0.124 31.925 31.700 0.169 0.000 0.783 389 K N -1.312 119.086 120.400 -0.004 0.000 2.374 389 K HA 0.176 4.495 4.320 -0.001 0.000 0.196 389 K C 0.249 176.744 176.600 -0.176 0.000 1.023 389 K CA -0.003 56.247 56.287 -0.062 0.000 1.103 389 K CB 0.120 32.579 32.500 -0.067 0.000 0.848 389 K HN 0.205 nan 8.250 nan 0.000 0.528 390 L N 2.176 123.269 121.223 -0.215 0.000 2.280 390 L HA 0.315 4.655 4.340 -0.001 0.000 0.287 390 L C 0.065 176.749 176.870 -0.310 0.000 1.023 390 L CA -0.675 53.805 54.840 -0.600 0.000 0.819 390 L CB 1.275 42.892 42.059 -0.737 0.000 1.212 390 L HN -0.062 nan 8.230 nan 0.000 0.420 391 R N 3.880 124.251 120.500 -0.214 0.000 3.266 391 R HA 0.129 4.468 4.340 -0.001 0.000 0.224 391 R C 0.361 176.837 176.300 0.293 0.000 1.525 391 R CA -0.170 56.014 56.100 0.141 0.000 1.364 391 R CB -0.090 30.298 30.300 0.146 0.000 1.276 391 R HN 0.566 nan 8.270 nan 0.000 0.660 392 F N -0.235 119.924 119.950 0.348 0.000 2.269 392 F HA -0.166 4.361 4.527 -0.001 0.000 0.301 392 F C 1.641 177.587 175.800 0.244 0.000 1.082 392 F CA 1.086 59.292 58.000 0.345 0.000 1.360 392 F CB -0.304 38.867 39.000 0.286 0.000 1.041 392 F HN 0.429 nan 8.300 nan 0.000 0.512 393 Y N -0.059 120.451 120.300 0.349 0.000 2.716 393 Y HA -0.175 4.375 4.550 0.001 0.000 0.302 393 Y C 1.226 177.223 175.900 0.163 0.000 1.160 393 Y CA 0.530 58.763 58.100 0.222 0.000 1.362 393 Y CB -0.343 38.204 38.460 0.145 0.000 0.988 393 Y HN -0.015 nan 8.280 nan 0.000 0.546 394 D N -0.836 119.725 120.400 0.267 0.000 2.363 394 D HA 0.055 4.695 4.640 -0.001 0.000 0.214 394 D C 0.160 176.480 176.300 0.033 0.000 1.093 394 D CA 0.250 54.334 54.000 0.139 0.000 0.837 394 D CB 0.106 40.964 40.800 0.096 0.000 0.948 394 D HN 0.083 nan 8.370 nan 0.000 0.507 395 M N 1.345 120.970 119.600 0.041 0.000 2.350 395 M HA 0.102 4.582 4.480 -0.001 0.000 0.338 395 M C -0.067 176.144 176.300 -0.148 0.000 1.559 395 M CA 0.212 55.408 55.300 -0.173 0.000 1.217 395 M CB -0.020 32.457 32.600 -0.205 0.000 1.808 395 M HN -0.195 nan 8.290 nan 0.000 0.458 396 D N 3.021 123.205 120.400 -0.361 0.000 2.471 396 D HA 0.256 4.895 4.640 -0.001 0.000 0.245 396 D C -0.162 175.736 176.300 -0.671 0.000 1.116 396 D CA -0.426 53.388 54.000 -0.311 0.000 0.853 396 D CB 0.619 41.318 40.800 -0.169 0.000 1.123 396 D HN 0.366 nan 8.370 nan 0.000 0.540 397 F N 1.700 121.117 119.950 -0.889 0.000 2.789 397 F HA 0.260 4.787 4.527 -0.001 0.000 0.300 397 F C 2.110 177.298 175.800 -1.020 0.000 1.132 397 F CA 0.675 57.998 58.000 -1.129 0.000 1.404 397 F CB 0.752 38.737 39.000 -1.691 0.000 1.114 397 F HN 0.649 nan 8.300 nan 0.000 0.584 398 G N -1.831 106.544 108.800 -0.710 0.000 2.425 398 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.177 398 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.177 398 G C 0.529 175.305 174.900 -0.206 0.000 0.999 398 G CA -0.166 44.692 45.100 -0.403 0.000 0.723 398 G HN 0.251 nan 8.290 nan 0.000 0.491 399 W N 1.481 122.760 121.300 -0.035 0.000 3.127 399 W HA 0.585 5.244 4.660 -0.001 0.000 0.344 399 W C 1.101 177.670 176.519 0.082 0.000 1.151 399 W CA -0.169 57.178 57.345 0.004 0.000 1.765 399 W CB -0.387 29.052 29.460 -0.034 0.000 1.085 399 W HN 1.231 nan 8.180 nan 0.000 0.596 400 G N 1.517 110.417 108.800 0.166 0.000 2.541 400 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 400 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 400 G C -0.644 174.453 174.900 0.327 0.000 1.286 400 G CA -1.196 44.033 45.100 0.216 0.000 0.894 400 G HN -0.044 nan 8.290 nan 0.000 0.575 401 K N 0.995 121.557 120.400 0.270 0.000 2.258 401 K HA 0.407 4.727 4.320 -0.001 0.000 0.264 401 K C -2.187 174.595 176.600 0.303 0.000 1.007 401 K CA -1.102 55.357 56.287 0.286 0.000 0.941 401 K CB 0.575 33.192 32.500 0.196 0.000 0.966 401 K HN 0.262 nan 8.250 nan 0.000 0.480 402 P HA -0.034 nan 4.420 nan 0.000 0.268 402 P C -0.012 177.361 177.300 0.122 0.000 1.205 402 P CA 0.040 63.014 63.100 -0.211 0.000 0.771 402 P CB 0.763 32.343 31.700 -0.200 0.000 0.858 403 K N 2.704 123.153 120.400 0.082 0.000 2.103 403 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 403 K C 0.346 177.082 176.600 0.227 0.000 1.052 403 K CA 1.697 58.067 56.287 0.138 0.000 0.945 403 K CB -0.014 32.535 32.500 0.083 0.000 0.722 403 K HN 0.190 nan 8.250 nan 0.000 0.443 404 K N -0.402 120.137 120.400 0.233 0.000 2.542 404 K HA 0.428 4.747 4.320 -0.001 0.000 0.259 404 K C -1.800 174.861 176.600 0.101 0.000 0.932 404 K CA -0.497 55.940 56.287 0.250 0.000 0.820 404 K CB 1.220 33.765 32.500 0.075 0.000 1.345 404 K HN 0.045 nan 8.250 nan 0.000 0.432 405 L N 2.834 123.986 121.223 -0.119 0.000 2.346 405 L HA 0.641 4.981 4.340 -0.001 0.000 0.274 405 L C -0.440 176.343 176.870 -0.144 0.000 1.007 405 L CA -0.965 53.671 54.840 -0.341 0.000 0.818 405 L CB 1.920 43.545 42.059 -0.722 0.000 1.284 405 L HN 0.510 nan 8.230 nan 0.000 0.424 406 E N 1.403 121.515 120.200 -0.146 0.000 2.275 406 E HA 0.325 4.675 4.350 -0.001 0.000 0.270 406 E C -1.149 175.340 176.600 -0.184 0.000 0.882 406 E CA -0.536 55.789 56.400 -0.124 0.000 0.758 406 E CB 2.604 32.276 29.700 -0.047 0.000 1.195 406 E HN 0.409 nan 8.360 nan 0.000 0.419 407 T N 2.091 116.542 114.554 -0.172 0.000 2.891 407 T HA 0.148 4.497 4.350 -0.001 0.000 0.315 407 T C 1.481 176.126 174.700 -0.091 0.000 1.054 407 T CA -0.273 61.740 62.100 -0.145 0.000 0.958 407 T CB 0.544 69.332 68.868 -0.134 0.000 1.008 407 T HN 0.148 nan 8.240 nan 0.000 0.521 408 V N 2.789 122.674 119.914 -0.049 0.000 2.515 408 V HA -0.133 3.986 4.120 -0.001 0.000 0.250 408 V C 2.515 178.650 176.094 0.068 0.000 1.058 408 V CA 1.915 64.234 62.300 0.031 0.000 1.064 408 V CB -0.594 31.309 31.823 0.133 0.000 0.675 408 V HN 0.931 nan 8.190 nan 0.000 0.461 409 S N 1.017 116.730 115.700 0.022 0.000 2.603 409 S HA -0.032 4.437 4.470 -0.001 0.000 0.229 409 S C 1.850 176.484 174.600 0.056 0.000 0.972 409 S CA 1.015 59.229 58.200 0.023 0.000 0.935 409 S CB -0.847 62.321 63.200 -0.053 0.000 0.769 409 S HN 0.780 nan 8.310 nan 0.000 0.536 410 I N -0.242 120.353 120.570 0.042 0.000 2.567 410 I HA -0.096 4.073 4.170 -0.001 0.000 0.257 410 I C 1.028 177.195 176.117 0.083 0.000 1.184 410 I CA 1.377 62.712 61.300 0.057 0.000 1.451 410 I CB -0.569 37.445 38.000 0.023 0.000 1.089 410 I HN -0.066 nan 8.210 nan 0.000 0.441 411 D N 0.573 121.033 120.400 0.101 0.000 2.311 411 D HA -0.198 4.441 4.640 -0.001 0.000 0.212 411 D C 2.002 178.365 176.300 0.104 0.000 0.972 411 D CA 1.088 55.161 54.000 0.121 0.000 0.887 411 D CB -0.526 40.407 40.800 0.222 0.000 0.915 411 D HN 0.561 nan 8.370 nan 0.000 0.497 412 H N 0.051 119.129 119.070 0.013 0.000 2.428 412 H HA -0.015 4.541 4.556 -0.001 0.000 0.296 412 H C 0.303 175.635 175.328 0.006 0.000 1.062 412 H CA 1.163 57.207 56.048 -0.007 0.000 1.350 412 H CB 0.489 30.242 29.762 -0.015 0.000 1.403 412 H HN 0.290 nan 8.280 nan 0.000 0.533 413 N N -2.193 116.588 118.700 0.135 0.000 3.378 413 N HA 0.122 4.862 4.740 -0.001 0.000 0.294 413 N C -0.338 175.224 175.510 0.086 0.000 1.544 413 N CA -0.347 52.763 53.050 0.099 0.000 0.872 413 N CB 0.141 38.704 38.487 0.127 0.000 1.670 413 N HN -0.024 nan 8.380 nan 0.000 0.551 414 G N -1.084 107.764 108.800 0.081 0.000 2.508 414 G HA2 0.575 4.534 3.960 -0.001 0.000 0.301 414 G HA3 0.575 4.534 3.960 -0.001 0.000 0.301 414 G C -0.597 174.364 174.900 0.102 0.000 0.965 414 G CA 0.303 45.452 45.100 0.082 0.000 1.339 414 G HN 0.820 nan 8.290 nan 0.000 0.455 415 A N 2.615 125.485 122.820 0.084 0.000 2.566 415 A HA 0.759 5.079 4.320 -0.001 0.000 0.297 415 A C -0.557 177.057 177.584 0.051 0.000 1.059 415 A CA -0.751 51.340 52.037 0.090 0.000 0.691 415 A CB 1.192 20.264 19.000 0.120 0.000 1.282 415 A HN 1.252 nan 8.150 nan 0.000 0.401 416 I N -0.767 119.826 120.570 0.037 0.000 2.892 416 I HA 0.886 5.056 4.170 -0.001 0.000 0.306 416 I C -0.078 176.066 176.117 0.045 0.000 1.078 416 I CA -0.777 60.548 61.300 0.041 0.000 1.032 416 I CB 2.522 40.569 38.000 0.078 0.000 1.229 416 I HN 0.615 nan 8.210 nan 0.000 0.435 417 S N 4.047 119.772 115.700 0.042 0.000 2.509 417 S HA 0.804 5.274 4.470 -0.001 0.000 0.297 417 S C -0.680 173.968 174.600 0.080 0.000 1.118 417 S CA -0.647 57.579 58.200 0.043 0.000 1.074 417 S CB 1.408 64.607 63.200 -0.003 0.000 1.038 417 S HN 0.605 nan 8.310 nan 0.000 0.498 418 I N 2.672 123.308 120.570 0.109 0.000 2.468 418 I HA 0.469 4.639 4.170 -0.001 0.000 0.285 418 I C -0.717 175.497 176.117 0.162 0.000 1.039 418 I CA -0.571 60.816 61.300 0.146 0.000 1.074 418 I CB 1.686 39.790 38.000 0.172 0.000 1.228 418 I HN 0.657 nan 8.210 nan 0.000 0.436 419 N N 2.898 121.694 118.700 0.159 0.000 2.525 419 N HA 0.427 5.167 4.740 -0.001 0.000 0.270 419 N C -0.664 174.962 175.510 0.194 0.000 1.321 419 N CA -0.504 52.658 53.050 0.186 0.000 0.797 419 N CB 2.410 41.008 38.487 0.186 0.000 1.529 419 N HN 0.602 nan 8.380 nan 0.000 0.491 420 S N -0.796 115.028 115.700 0.207 0.000 2.626 420 S HA 0.205 4.675 4.470 -0.001 0.000 0.257 420 S C 1.147 175.830 174.600 0.137 0.000 1.288 420 S CA -0.428 57.866 58.200 0.157 0.000 0.980 420 S CB 0.421 63.700 63.200 0.130 0.000 0.975 420 S HN 0.665 nan 8.310 nan 0.000 0.577 421 C N 0.027 119.311 119.300 -0.026 0.000 2.684 421 C HA 0.464 4.924 4.460 -0.001 0.000 0.283 421 C C 2.132 176.676 174.990 -0.742 0.000 1.346 421 C CA 0.648 59.506 59.018 -0.266 0.000 1.707 421 C CB -0.545 27.095 27.740 -0.166 0.000 2.137 421 C HN 1.114 nan 8.230 nan 0.000 0.544 422 K N -0.780 119.371 120.400 -0.415 0.000 2.042 422 K HA -0.123 4.196 4.320 -0.001 0.000 0.433 422 K C 0.865 177.363 176.600 -0.170 0.000 0.538 422 K CA 1.306 57.332 56.287 -0.435 0.000 1.941 422 K CB -1.606 30.343 32.500 -0.918 0.000 0.668 422 K HN 0.416 nan 8.250 nan 0.000 0.314 423 E N 1.759 121.861 120.200 -0.164 0.000 2.474 423 E HA 0.206 4.556 4.350 -0.001 0.000 0.195 423 E C -0.182 176.382 176.600 -0.059 0.000 1.039 423 E CA 0.231 56.583 56.400 -0.079 0.000 0.881 423 E CB 0.828 30.487 29.700 -0.068 0.000 0.970 423 E HN 0.147 nan 8.360 nan 0.000 0.486 424 S N 0.405 116.059 115.700 -0.075 0.000 2.689 424 S HA 0.198 4.667 4.470 -0.001 0.000 0.274 424 S C -0.095 174.491 174.600 -0.023 0.000 1.176 424 S CA -0.637 57.539 58.200 -0.039 0.000 1.014 424 S CB 0.607 63.788 63.200 -0.032 0.000 1.071 424 S HN 0.252 nan 8.310 nan 0.000 0.478 425 N N 2.664 121.366 118.700 0.004 0.000 2.550 425 N HA -0.007 4.732 4.740 -0.001 0.000 0.186 425 N C 0.690 176.217 175.510 0.029 0.000 1.110 425 N CA 0.582 53.648 53.050 0.026 0.000 0.912 425 N CB 0.170 38.674 38.487 0.029 0.000 0.968 425 N HN 0.589 nan 8.380 nan 0.000 0.448 426 E N 0.026 120.237 120.200 0.019 0.000 2.473 426 E HA 0.050 4.400 4.350 -0.001 0.000 0.204 426 E C -0.587 176.029 176.600 0.027 0.000 0.994 426 E CA 0.052 56.466 56.400 0.024 0.000 0.945 426 E CB 0.450 30.159 29.700 0.015 0.000 0.990 426 E HN 0.360 nan 8.360 nan 0.000 0.493 427 D N 0.393 120.804 120.400 0.019 0.000 2.348 427 D HA 0.348 4.988 4.640 -0.001 0.000 0.249 427 D C 0.036 176.365 176.300 0.047 0.000 1.110 427 D CA -0.128 53.886 54.000 0.024 0.000 0.967 427 D CB 1.385 42.187 40.800 0.003 0.000 1.139 427 D HN -0.094 nan 8.370 nan 0.000 0.466 428 L N 0.870 122.133 121.223 0.067 0.000 2.362 428 L HA 0.375 4.715 4.340 -0.001 0.000 0.275 428 L C 0.095 177.026 176.870 0.101 0.000 0.998 428 L CA -0.708 54.191 54.840 0.098 0.000 0.820 428 L CB 1.680 43.809 42.059 0.116 0.000 1.270 428 L HN 0.129 nan 8.230 nan 0.000 0.415 429 E N 4.230 124.492 120.200 0.104 0.000 2.151 429 E HA 0.514 4.863 4.350 -0.001 0.000 0.275 429 E C -1.034 175.629 176.600 0.106 0.000 0.936 429 E CA -0.471 55.982 56.400 0.088 0.000 0.777 429 E CB 2.538 32.295 29.700 0.095 0.000 1.108 429 E HN 0.415 nan 8.360 nan 0.000 0.401 430 I N 2.047 122.683 120.570 0.110 0.000 2.389 430 I HA 0.314 4.483 4.170 -0.001 0.000 0.288 430 I C 0.397 176.578 176.117 0.106 0.000 0.999 430 I CA -0.655 60.728 61.300 0.139 0.000 1.129 430 I CB 1.868 39.997 38.000 0.214 0.000 1.288 430 I HN 0.469 nan 8.210 nan 0.000 0.444 431 G N 5.846 114.679 108.800 0.055 0.000 2.322 431 G HA2 0.608 4.567 3.960 -0.001 0.000 0.309 431 G HA3 0.608 4.567 3.960 -0.001 0.000 0.309 431 G C -0.819 174.081 174.900 0.001 0.000 1.121 431 G CA -0.284 44.808 45.100 -0.014 0.000 0.886 431 G HN 0.343 nan 8.290 nan 0.000 0.447 432 V N 1.382 121.281 119.914 -0.025 0.000 2.656 432 V HA 0.528 4.647 4.120 -0.001 0.000 0.307 432 V C -0.499 175.540 176.094 -0.092 0.000 1.051 432 V CA -0.942 61.321 62.300 -0.062 0.000 0.893 432 V CB 1.852 33.600 31.823 -0.124 0.000 0.999 432 V HN 0.902 nan 8.190 nan 0.000 0.426 433 c N 7.955 126.506 118.600 -0.080 0.000 2.344 433 c HA 0.857 5.427 4.570 -0.001 0.000 0.326 433 c C -0.473 173.590 174.090 -0.045 0.000 1.201 433 c CA -0.411 55.881 56.329 -0.063 0.000 1.410 433 c CB -1.027 41.458 42.510 -0.042 0.000 2.070 433 c HN 0.879 nan 8.230 nan 0.000 0.445 434 I N 3.468 124.011 120.570 -0.045 0.000 3.095 434 I HA 0.702 4.871 4.170 -0.001 0.000 0.310 434 I C 0.070 176.190 176.117 0.005 0.000 1.196 434 I CA -0.413 60.873 61.300 -0.023 0.000 0.985 434 I CB 1.943 39.911 38.000 -0.053 0.000 1.250 434 I HN 0.594 nan 8.210 nan 0.000 0.446 435 S N 2.270 117.983 115.700 0.022 0.000 2.566 435 S HA 0.287 4.757 4.470 -0.001 0.000 0.280 435 S C 1.242 175.864 174.600 0.036 0.000 1.343 435 S CA 0.061 58.279 58.200 0.031 0.000 1.036 435 S CB 1.376 64.598 63.200 0.036 0.000 0.866 435 S HN 1.084 nan 8.310 nan 0.000 0.526 436 A N 2.144 124.984 122.820 0.034 0.000 1.940 436 A HA -0.079 4.241 4.320 -0.001 0.000 0.219 436 A C 2.501 180.113 177.584 0.046 0.000 1.176 436 A CA 2.251 54.310 52.037 0.036 0.000 0.631 436 A CB -1.912 17.106 19.000 0.029 0.000 0.814 436 A HN 1.227 nan 8.150 nan 0.000 0.446 437 T N -1.855 112.727 114.554 0.048 0.000 2.777 437 T HA -0.181 4.169 4.350 -0.001 0.000 0.266 437 T C 1.837 176.582 174.700 0.074 0.000 1.040 437 T CA 1.643 63.777 62.100 0.056 0.000 1.141 437 T CB -0.382 68.516 68.868 0.050 0.000 0.868 437 T HN 0.486 nan 8.240 nan 0.000 0.444 438 Q N -0.059 119.789 119.800 0.080 0.000 2.297 438 Q HA 0.077 4.417 4.340 -0.001 0.000 0.204 438 Q C 2.187 178.277 176.000 0.149 0.000 0.962 438 Q CA 0.944 56.814 55.803 0.112 0.000 0.879 438 Q CB -0.430 28.370 28.738 0.104 0.000 0.947 438 Q HN 0.554 nan 8.270 nan 0.000 0.462 439 M N 1.256 120.926 119.600 0.116 0.000 2.117 439 M HA -0.159 4.320 4.480 -0.001 0.000 0.262 439 M C 1.885 178.283 176.300 0.165 0.000 1.065 439 M CA 1.653 57.040 55.300 0.145 0.000 1.114 439 M CB -0.192 32.462 32.600 0.090 0.000 1.361 439 M HN 0.169 nan 8.290 nan 0.000 0.408 440 E N -0.308 119.951 120.200 0.098 0.000 2.058 440 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 440 E C 1.422 178.048 176.600 0.044 0.000 0.997 440 E CA 1.814 58.234 56.400 0.033 0.000 0.801 440 E CB -0.147 29.579 29.700 0.043 0.000 0.746 440 E HN 0.552 nan 8.360 nan 0.000 0.450 441 D N -0.137 120.351 120.400 0.146 0.000 2.117 441 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 441 D C 1.737 178.136 176.300 0.166 0.000 0.987 441 D CA 0.779 54.887 54.000 0.181 0.000 0.829 441 D CB -0.472 40.417 40.800 0.148 0.000 0.961 441 D HN 0.210 nan 8.370 nan 0.000 0.460 442 F N 1.487 121.476 119.950 0.064 0.000 2.126 442 F HA -0.242 4.284 4.527 -0.001 0.000 0.299 442 F C 2.323 178.144 175.800 0.034 0.000 1.096 442 F CA 1.039 59.059 58.000 0.034 0.000 1.255 442 F CB -0.087 38.930 39.000 0.028 0.000 0.997 442 F HN -0.226 nan 8.300 nan 0.000 0.479 443 V N -0.101 120.012 119.914 0.332 0.000 2.287 443 V HA -0.355 3.765 4.120 -0.001 0.000 0.248 443 V C 2.447 178.655 176.094 0.190 0.000 1.053 443 V CA 2.245 64.746 62.300 0.334 0.000 1.027 443 V CB -0.911 31.057 31.823 0.242 0.000 0.646 443 V HN 0.387 nan 8.190 nan 0.000 0.447 444 H N -0.465 118.692 119.070 0.146 0.000 2.321 444 H HA -0.075 4.481 4.556 -0.001 0.000 0.300 444 H C 2.345 177.680 175.328 0.013 0.000 1.087 444 H CA 1.962 58.057 56.048 0.078 0.000 1.319 444 H CB -0.344 29.447 29.762 0.049 0.000 1.379 444 H HN 0.365 nan 8.280 nan 0.000 0.501 445 I N -0.173 120.430 120.570 0.056 0.000 2.179 445 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 445 I C 2.452 178.478 176.117 -0.151 0.000 1.088 445 I CA 1.221 62.449 61.300 -0.119 0.000 1.357 445 I CB -0.368 37.463 38.000 -0.281 0.000 1.051 445 I HN 0.047 nan 8.210 nan 0.000 0.409 446 F N 1.936 121.680 119.950 -0.344 0.000 2.075 446 F HA -0.285 4.241 4.527 -0.001 0.000 0.297 446 F C 2.239 178.062 175.800 0.039 0.000 1.113 446 F CA 1.945 59.815 58.000 -0.217 0.000 1.218 446 F CB -0.218 38.530 39.000 -0.421 0.000 0.984 446 F HN 0.081 nan 8.300 nan 0.000 0.472 447 D N 0.305 120.895 120.400 0.317 0.000 2.117 447 D HA -0.171 4.469 4.640 -0.001 0.000 0.197 447 D C 1.825 178.171 176.300 0.075 0.000 0.987 447 D CA 1.598 55.738 54.000 0.232 0.000 0.829 447 D CB -0.655 40.310 40.800 0.275 0.000 0.961 447 D HN 0.341 nan 8.370 nan 0.000 0.460 448 D N 0.017 120.456 120.400 0.065 0.000 2.144 448 D HA -0.062 4.577 4.640 -0.001 0.000 0.200 448 D C 2.134 178.414 176.300 -0.033 0.000 0.978 448 D CA 1.183 55.191 54.000 0.014 0.000 0.833 448 D CB -0.651 40.154 40.800 0.009 0.000 0.961 448 D HN 0.273 nan 8.370 nan 0.000 0.470 449 G N -0.144 108.627 108.800 -0.048 0.000 2.598 449 G HA2 0.019 3.978 3.960 -0.001 0.000 0.215 449 G HA3 0.019 3.978 3.960 -0.001 0.000 0.215 449 G C 0.833 175.686 174.900 -0.079 0.000 1.131 449 G CA 0.180 45.258 45.100 -0.037 0.000 0.785 449 G HN 0.172 nan 8.290 nan 0.000 0.539 450 L N 0.000 121.125 121.223 -0.163 0.000 2.949 450 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 450 L CA 0.000 54.679 54.840 -0.268 0.000 0.813 450 L CB 0.000 41.848 42.059 -0.352 0.000 0.961 450 L HN 0.000 nan 8.230 nan 0.000 0.502