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 2id0_1_A DATA FIRST_RESID 5 DATA SEQUENCE NPLLAQLKQQ LHSQTPRAEG VVKATEKGFG FLEVDAQKSY FIPPPQXKKV DATA SEQUENCE XHGDRIIAVI HSEKERESAE PEELVEPFLT RFVGKVQGKN DRLAIVPDHP DATA SEQUENCE LLKDAIPCRA ARGLNHEFKE GDWAVAEXRR HPLKGDRSFY AELTQYITFG DATA SEQUENCE DDHFVPWWVT LARHNLEKEA PDGVATEXLD EGLVREDLTA LDFVTIDSAS DATA SEQUENCE TEDXDDALFA KALPDDKLQL IVAIADPTAW IAEGSKLDKA AKIRAFTNYL DATA SEQUENCE PGFNIPXLPR ELSDDLCSLR ANEVRPVLAC RXTLSADGTI EDNIEFFAAT DATA SEQUENCE IESKAKLVYD QVSDWLENTG DWQPESEAIA EQVRLLAQIC QRRGEWRHNH DATA SEQUENCE ALVFKDRPDY RFILGEKGEV LDIVAEPRRI ANRIVEEAXI AANICAARVL DATA SEQUENCE RDKLGFGIYN VHXGFDPANA DALAALLKTH GLHVDAEEVL TLDGFCKLRR DATA SEQUENCE ELDAQPTGFL DSRIRRFQSF AEISTEPGPH FGLGLEAYAT WTSPIRKYGD DATA SEQUENCE XINHRLLKAV IKGXXXXRPQ DEITVQXAER RRLNRXAERD VGDWLYARFL DATA SEQUENCE KDKAGTDTRF AAEIVDISRG GXRVRLVDNG AIAFIPAPFL HAVRDELVCS DATA SEQUENCE QENGTVQIKG ETVYKVTDVI DVTIAEVRXE TRSIIARPVA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.508 175.510 -0.003 0.000 1.280 5 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 5 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 6 P HA -0.222 nan 4.420 nan 0.000 0.221 6 P C 1.596 178.896 177.300 0.000 0.000 1.160 6 P CA 1.446 64.545 63.100 -0.001 0.000 0.933 6 P CB 0.118 31.818 31.700 -0.000 0.000 0.793 7 L N -1.747 119.476 121.223 0.000 0.000 1.943 7 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 7 L C 2.613 179.484 176.870 0.002 0.000 1.074 7 L CA 1.544 56.385 54.840 0.002 0.000 0.759 7 L CB -1.471 40.589 42.059 0.001 0.000 0.888 7 L HN -0.120 nan 8.230 nan 0.000 0.433 8 L N -0.571 120.653 121.223 0.001 0.000 2.051 8 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 8 L C 2.450 179.320 176.870 -0.000 0.000 1.076 8 L CA 2.177 57.017 54.840 0.000 0.000 0.758 8 L CB -0.889 41.169 42.059 -0.002 0.000 0.890 8 L HN 0.325 nan 8.230 nan 0.000 0.433 9 A N -1.272 121.547 122.820 -0.002 0.000 1.858 9 A HA -0.292 4.028 4.320 -0.000 0.000 0.216 9 A C 2.250 179.836 177.584 0.002 0.000 1.190 9 A CA 1.790 53.825 52.037 -0.004 0.000 0.617 9 A CB -0.815 18.181 19.000 -0.005 0.000 0.827 9 A HN 0.567 nan 8.150 nan 0.000 0.443 10 Q N -0.532 119.271 119.800 0.005 0.000 2.061 10 Q HA -0.173 4.166 4.340 -0.000 0.000 0.204 10 Q C 1.858 177.866 176.000 0.014 0.000 0.984 10 Q CA 1.957 57.765 55.803 0.009 0.000 0.846 10 Q CB -0.625 28.117 28.738 0.007 0.000 0.902 10 Q HN 0.497 nan 8.270 nan 0.000 0.421 11 L N 0.630 121.860 121.223 0.012 0.000 2.013 11 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 11 L C 1.892 178.775 176.870 0.023 0.000 1.073 11 L CA 2.096 56.945 54.840 0.015 0.000 0.753 11 L CB -0.615 41.450 42.059 0.011 0.000 0.890 11 L HN 0.182 nan 8.230 nan 0.000 0.432 12 K N -1.044 119.367 120.400 0.019 0.000 2.097 12 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 12 K C 2.165 178.796 176.600 0.050 0.000 1.049 12 K CA 1.638 57.939 56.287 0.024 0.000 0.933 12 K CB -0.169 32.331 32.500 0.000 0.000 0.717 12 K HN 0.494 nan 8.250 nan 0.000 0.442 13 Q N 1.068 120.893 119.800 0.042 0.000 2.061 13 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 13 Q C 2.034 178.086 176.000 0.087 0.000 0.984 13 Q CA 1.652 57.497 55.803 0.071 0.000 0.846 13 Q CB 0.150 28.913 28.738 0.041 0.000 0.902 13 Q HN 0.331 nan 8.270 nan 0.000 0.421 14 Q N -0.135 119.696 119.800 0.052 0.000 2.046 14 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 14 Q C 2.266 178.290 176.000 0.040 0.000 0.975 14 Q CA 1.284 57.109 55.803 0.037 0.000 0.836 14 Q CB -0.075 28.677 28.738 0.022 0.000 0.896 14 Q HN 0.421 nan 8.270 nan 0.000 0.428 15 L N -0.179 121.075 121.223 0.050 0.000 2.127 15 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 15 L C 2.421 179.337 176.870 0.078 0.000 1.089 15 L CA 1.277 56.148 54.840 0.052 0.000 0.757 15 L CB -0.428 41.663 42.059 0.052 0.000 0.899 15 L HN 0.309 nan 8.230 nan 0.000 0.434 16 H N -0.486 118.582 119.070 -0.003 0.000 2.363 16 H HA -0.139 4.417 4.556 -0.000 0.000 0.301 16 H C 2.499 177.820 175.328 -0.013 0.000 1.074 16 H CA 1.553 57.597 56.048 -0.006 0.000 1.354 16 H CB 0.077 29.837 29.762 -0.005 0.000 1.397 16 H HN 0.315 nan 8.280 nan 0.000 0.516 17 S N -0.037 115.631 115.700 -0.054 0.000 2.402 17 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 17 S C 1.939 176.477 174.600 -0.105 0.000 1.021 17 S CA 1.120 59.256 58.200 -0.106 0.000 0.974 17 S CB -0.173 63.008 63.200 -0.031 0.000 0.800 17 S HN 0.674 nan 8.310 nan 0.000 0.484 18 Q N 0.942 120.702 119.800 -0.067 0.000 2.451 18 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 18 Q C 0.819 176.780 176.000 -0.066 0.000 0.947 18 Q CA 0.464 56.235 55.803 -0.052 0.000 0.937 18 Q CB -1.139 27.585 28.738 -0.024 0.000 1.025 18 Q HN 0.326 nan 8.270 nan 0.000 0.511 19 T N 2.798 117.294 114.554 -0.098 0.000 2.919 19 T HA 0.236 4.586 4.350 -0.000 0.000 0.302 19 T C -2.409 172.218 174.700 -0.120 0.000 1.031 19 T CA -1.818 60.223 62.100 -0.098 0.000 1.127 19 T CB 0.367 69.174 68.868 -0.103 0.000 0.952 19 T HN 0.130 nan 8.240 nan 0.000 0.540 20 P HA 0.194 nan 4.420 nan 0.000 0.261 20 P C -0.560 176.639 177.300 -0.170 0.000 1.203 20 P CA 0.304 63.337 63.100 -0.112 0.000 0.767 20 P CB 0.299 31.945 31.700 -0.091 0.000 0.785 21 R N 2.191 122.603 120.500 -0.146 0.000 2.854 21 R HA 0.888 5.228 4.340 -0.000 0.000 0.271 21 R C -0.803 175.417 176.300 -0.132 0.000 0.996 21 R CA -1.045 54.955 56.100 -0.168 0.000 0.961 21 R CB 2.326 32.541 30.300 -0.141 0.000 1.182 21 R HN 0.392 nan 8.270 nan 0.000 0.479 22 A N 0.868 123.599 122.820 -0.148 0.000 2.454 22 A HA 0.436 4.756 4.320 -0.000 0.000 0.302 22 A C -1.290 176.275 177.584 -0.032 0.000 1.079 22 A CA -0.639 51.365 52.037 -0.055 0.000 0.731 22 A CB 1.791 20.790 19.000 -0.003 0.000 1.299 22 A HN 0.752 nan 8.150 nan 0.000 0.413 23 E N 0.767 120.972 120.200 0.009 0.000 2.166 23 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 23 E C 0.099 176.721 176.600 0.037 0.000 0.941 23 E CA -0.221 56.185 56.400 0.010 0.000 0.784 23 E CB 1.561 31.264 29.700 0.004 0.000 1.115 23 E HN 1.033 nan 8.360 nan 0.000 0.399 24 G N 1.494 110.313 108.800 0.031 0.000 2.619 24 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 24 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 24 G C -1.469 173.440 174.900 0.015 0.000 1.330 24 G CA -0.538 44.587 45.100 0.041 0.000 0.789 24 G HN 0.411 nan 8.290 nan 0.000 0.487 25 V N 0.263 120.178 119.914 0.002 0.000 2.513 25 V HA 0.523 4.643 4.120 -0.000 0.000 0.299 25 V C 0.205 176.257 176.094 -0.071 0.000 1.035 25 V CA -0.763 61.507 62.300 -0.050 0.000 0.889 25 V CB 1.558 33.333 31.823 -0.079 0.000 0.988 25 V HN 0.599 nan 8.190 nan 0.000 0.440 26 V N 3.810 123.649 119.914 -0.123 0.000 2.508 26 V HA 0.480 4.599 4.120 -0.000 0.000 0.281 26 V C 0.652 176.579 176.094 -0.277 0.000 1.041 26 V CA -0.147 62.079 62.300 -0.123 0.000 1.016 26 V CB 0.742 32.507 31.823 -0.096 0.000 0.984 26 V HN 1.008 nan 8.190 nan 0.000 0.478 27 K N 3.455 123.801 120.400 -0.089 0.000 2.484 27 K HA 0.806 5.125 4.320 -0.000 0.000 0.226 27 K C -0.056 176.670 176.600 0.210 0.000 1.031 27 K CA 0.120 56.402 56.287 -0.008 0.000 1.026 27 K CB 1.244 33.768 32.500 0.039 0.000 1.412 27 K HN 1.106 nan 8.250 nan 0.000 0.492 28 A N 1.533 124.577 122.820 0.373 0.000 2.302 28 A HA 0.833 5.153 4.320 -0.000 0.000 0.285 28 A C 0.547 178.148 177.584 0.029 0.000 1.105 28 A CA 0.035 52.160 52.037 0.147 0.000 0.816 28 A CB 0.487 19.526 19.000 0.066 0.000 1.067 28 A HN 0.685 nan 8.150 nan 0.000 0.489 29 T N -0.189 114.321 114.554 -0.074 0.000 2.676 29 T HA 0.336 4.686 4.350 -0.000 0.000 0.269 29 T C 0.497 175.109 174.700 -0.147 0.000 0.952 29 T CA -0.607 61.414 62.100 -0.130 0.000 1.040 29 T CB 0.596 69.401 68.868 -0.105 0.000 1.352 29 T HN 0.618 nan 8.240 nan 0.000 0.554 30 E N 0.453 120.577 120.200 -0.127 0.000 2.533 30 E HA 0.004 4.354 4.350 -0.000 0.000 0.201 30 E C 0.262 176.795 176.600 -0.112 0.000 1.097 30 E CA 0.572 56.909 56.400 -0.105 0.000 0.887 30 E CB -0.148 29.505 29.700 -0.077 0.000 0.855 30 E HN 0.304 nan 8.360 nan 0.000 0.540 31 K N -0.392 119.898 120.400 -0.184 0.000 2.520 31 K HA 0.318 4.638 4.320 -0.000 0.000 0.256 31 K C 1.326 177.788 176.600 -0.229 0.000 1.033 31 K CA -0.166 55.972 56.287 -0.248 0.000 1.007 31 K CB 0.610 32.773 32.500 -0.561 0.000 1.330 31 K HN -0.003 nan 8.250 nan 0.000 0.507 32 G N 0.594 109.283 108.800 -0.185 0.000 2.490 32 G HA2 0.026 3.986 3.960 -0.000 0.000 0.211 32 G HA3 0.026 3.986 3.960 -0.000 0.000 0.211 32 G C 0.210 175.070 174.900 -0.066 0.000 1.159 32 G CA 0.022 45.086 45.100 -0.060 0.000 0.819 32 G HN 0.498 nan 8.290 nan 0.000 0.539 33 F N 0.954 120.890 119.950 -0.023 0.000 2.389 33 F HA 0.764 5.291 4.527 0.000 0.000 0.337 33 F C 0.548 176.261 175.800 -0.145 0.000 1.112 33 F CA -1.191 56.715 58.000 -0.157 0.000 1.192 33 F CB 1.034 40.003 39.000 -0.052 0.000 1.185 33 F HN 0.144 nan 8.300 nan 0.000 0.552 34 G N 1.480 110.169 108.800 -0.185 0.000 3.217 34 G HA2 0.720 4.680 3.960 -0.000 0.000 0.213 34 G HA3 0.720 4.680 3.960 -0.000 0.000 0.213 34 G C -2.061 172.708 174.900 -0.219 0.000 1.294 34 G CA -0.981 44.072 45.100 -0.080 0.000 0.987 34 G HN 0.571 nan 8.290 nan 0.000 0.584 35 F N -1.388 118.590 119.950 0.048 0.000 2.619 35 F HA 0.465 4.992 4.527 -0.000 0.000 0.308 35 F C -0.658 175.173 175.800 0.052 0.000 1.097 35 F CA -0.637 57.418 58.000 0.091 0.000 0.953 35 F CB 2.434 41.502 39.000 0.113 0.000 1.287 35 F HN 0.313 nan 8.300 nan 0.000 0.446 36 L N 2.993 124.383 121.223 0.277 0.000 2.270 36 L HA 0.369 4.709 4.340 -0.000 0.000 0.286 36 L C 0.001 176.997 176.870 0.209 0.000 1.059 36 L CA 0.041 55.002 54.840 0.202 0.000 0.839 36 L CB 0.350 42.525 42.059 0.193 0.000 1.221 36 L HN 0.512 nan 8.230 nan 0.000 0.431 37 E N 3.685 123.960 120.200 0.124 0.000 2.029 37 E HA 0.055 4.405 4.350 -0.000 0.000 0.276 37 E C 0.740 177.382 176.600 0.070 0.000 1.163 37 E CA -0.219 56.226 56.400 0.075 0.000 0.909 37 E CB 1.009 30.721 29.700 0.021 0.000 1.046 37 E HN 0.635 nan 8.360 nan 0.000 0.406 38 V N 3.480 123.447 119.914 0.088 0.000 2.302 38 V HA -0.125 3.995 4.120 -0.000 0.000 0.243 38 V C 0.999 177.121 176.094 0.048 0.000 1.036 38 V CA 1.869 64.224 62.300 0.091 0.000 1.020 38 V CB -0.406 31.498 31.823 0.135 0.000 0.657 38 V HN 0.771 nan 8.190 nan 0.000 0.453 39 D N -2.682 117.734 120.400 0.027 0.000 4.359 39 D HA 0.194 4.834 4.640 -0.000 0.000 0.344 39 D C 1.291 177.592 176.300 0.000 0.000 1.642 39 D CA 0.270 54.279 54.000 0.015 0.000 0.981 39 D CB 0.790 41.602 40.800 0.019 0.000 1.479 39 D HN 0.067 nan 8.370 nan 0.000 0.647 40 A N 0.067 122.887 122.820 -0.000 0.000 1.870 40 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 40 A C 2.096 179.670 177.584 -0.016 0.000 1.224 40 A CA 4.066 56.100 52.037 -0.005 0.000 0.650 40 A CB -0.989 18.011 19.000 -0.001 0.000 0.836 40 A HN 0.494 nan 8.150 nan 0.000 0.454 41 Q N -1.993 117.794 119.800 -0.022 0.000 2.288 41 Q HA 0.179 4.519 4.340 -0.000 0.000 0.256 41 Q C 0.018 175.984 176.000 -0.056 0.000 0.835 41 Q CA -0.011 55.770 55.803 -0.036 0.000 0.958 41 Q CB 0.405 29.124 28.738 -0.031 0.000 1.125 41 Q HN 0.263 nan 8.270 nan 0.000 0.513 42 K N 1.308 121.671 120.400 -0.062 0.000 2.395 42 K HA 0.135 4.454 4.320 -0.000 0.000 0.283 42 K C -0.964 175.577 176.600 -0.099 0.000 1.068 42 K CA 0.230 56.442 56.287 -0.125 0.000 1.039 42 K CB 0.060 32.503 32.500 -0.094 0.000 0.924 42 K HN 0.113 nan 8.250 nan 0.000 0.468 43 S N 4.099 119.720 115.700 -0.131 0.000 2.571 43 S HA 0.492 4.962 4.470 -0.000 0.000 0.284 43 S C -1.339 173.265 174.600 0.006 0.000 1.128 43 S CA -0.683 57.540 58.200 0.037 0.000 0.970 43 S CB 0.449 63.704 63.200 0.092 0.000 1.039 43 S HN 0.371 nan 8.310 nan 0.000 0.485 44 Y N 2.558 123.007 120.300 0.249 0.000 2.453 44 Y HA 0.528 5.077 4.550 -0.000 0.000 0.326 44 Y C -0.011 176.004 175.900 0.192 0.000 1.186 44 Y CA -0.802 57.419 58.100 0.203 0.000 1.200 44 Y CB 1.034 39.557 38.460 0.106 0.000 1.247 44 Y HN 0.705 nan 8.280 nan 0.000 0.482 45 F N 3.587 123.592 119.950 0.092 0.000 2.404 45 F HA 0.621 5.148 4.527 0.000 0.000 0.345 45 F C -1.084 174.651 175.800 -0.109 0.000 1.110 45 F CA -0.794 57.046 58.000 -0.268 0.000 1.130 45 F CB 0.311 39.123 39.000 -0.314 0.000 1.129 45 F HN 0.234 nan 8.300 nan 0.000 0.500 46 I N 7.886 127.958 120.570 -0.829 0.000 2.339 46 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 46 I C -2.344 173.193 176.117 -0.967 0.000 0.994 46 I CA -2.285 58.624 61.300 -0.652 0.000 1.191 46 I CB 1.410 39.248 38.000 -0.270 0.000 1.343 46 I HN 0.458 nan 8.210 nan 0.000 0.458 47 P HA 0.233 nan 4.420 nan 0.000 0.277 47 P C -2.164 175.032 177.300 -0.173 0.000 1.240 47 P CA -1.553 61.244 63.100 -0.505 0.000 0.798 47 P CB 0.268 31.885 31.700 -0.140 0.000 0.979 48 P HA -0.180 nan 4.420 nan 0.000 0.217 48 P C -1.182 176.116 177.300 -0.004 0.000 1.162 48 P CA 2.869 65.983 63.100 0.023 0.000 0.901 48 P CB -1.879 29.870 31.700 0.082 0.000 0.793 49 P HA -0.107 nan 4.420 nan 0.000 0.220 49 P C 0.800 178.094 177.300 -0.011 0.000 1.148 49 P CA 1.283 64.383 63.100 -0.001 0.000 0.803 49 P CB -0.344 31.357 31.700 0.001 0.000 0.782 53 K N 1.623 122.038 120.400 0.025 0.000 2.400 53 K HA 0.071 4.391 4.320 -0.000 0.000 0.194 53 K C 0.481 177.082 176.600 0.002 0.000 1.033 53 K CA 0.497 56.758 56.287 -0.044 0.000 1.021 53 K CB 0.737 33.232 32.500 -0.009 0.000 0.808 53 K HN 0.155 nan 8.250 nan 0.000 0.505 57 G N 3.484 111.658 108.800 -1.043 0.000 2.258 57 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.233 57 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.233 57 G C -0.215 174.520 174.900 -0.275 0.000 1.006 57 G CA 0.064 44.562 45.100 -1.003 0.000 0.620 57 G HN 0.699 nan 8.290 nan 0.000 0.511 58 D N 0.836 121.156 120.400 -0.134 0.000 2.488 58 D HA 0.325 4.965 4.640 -0.000 0.000 0.238 58 D C 0.786 177.075 176.300 -0.018 0.000 1.138 58 D CA 0.284 54.296 54.000 0.020 0.000 0.873 58 D CB 0.638 41.493 40.800 0.092 0.000 1.183 58 D HN 0.447 nan 8.370 nan 0.000 0.458 59 R N 2.568 123.072 120.500 0.007 0.000 2.255 59 R HA 0.514 4.854 4.340 -0.000 0.000 0.326 59 R C -0.363 175.930 176.300 -0.011 0.000 0.986 59 R CA -0.528 55.571 56.100 -0.003 0.000 0.847 59 R CB 0.310 30.615 30.300 0.009 0.000 1.111 59 R HN 0.564 nan 8.270 nan 0.000 0.452 60 I N 1.012 121.576 120.570 -0.010 0.000 2.969 60 I HA 0.516 4.686 4.170 -0.000 0.000 0.307 60 I C -1.046 175.060 176.117 -0.018 0.000 1.149 60 I CA -1.282 60.009 61.300 -0.016 0.000 1.008 60 I CB 2.226 40.223 38.000 -0.004 0.000 1.232 60 I HN 0.443 nan 8.210 nan 0.000 0.435 61 I N 3.486 124.039 120.570 -0.029 0.000 2.385 61 I HA 0.702 4.872 4.170 -0.000 0.000 0.294 61 I C 0.153 176.236 176.117 -0.058 0.000 0.988 61 I CA -0.350 60.925 61.300 -0.042 0.000 1.265 61 I CB 1.762 39.735 38.000 -0.045 0.000 1.388 61 I HN 0.809 nan 8.210 nan 0.000 0.480 62 A N 5.842 128.608 122.820 -0.089 0.000 2.371 62 A HA 0.678 4.998 4.320 -0.000 0.000 0.311 62 A C -0.692 176.775 177.584 -0.195 0.000 1.068 62 A CA -0.579 51.384 52.037 -0.123 0.000 0.744 62 A CB 1.372 20.296 19.000 -0.127 0.000 1.239 62 A HN 0.403 nan 8.150 nan 0.000 0.435 63 V N 3.581 123.365 119.914 -0.216 0.000 2.585 63 V HA 0.060 4.180 4.120 -0.000 0.000 0.296 63 V C -0.031 175.763 176.094 -0.500 0.000 1.035 63 V CA 0.081 62.179 62.300 -0.336 0.000 1.084 63 V CB 0.547 32.178 31.823 -0.319 0.000 0.953 63 V HN 0.595 nan 8.190 nan 0.000 0.483 64 I N 5.726 126.025 120.570 -0.451 0.000 2.312 64 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 64 I C 0.279 176.196 176.117 -0.333 0.000 1.031 64 I CA -0.293 60.753 61.300 -0.422 0.000 1.293 64 I CB 0.394 38.152 38.000 -0.403 0.000 1.403 64 I HN 0.536 nan 8.210 nan 0.000 0.484 65 H N 3.721 122.754 119.070 -0.061 0.000 2.517 65 H HA 0.207 4.763 4.556 -0.000 0.000 0.317 65 H C 0.178 175.513 175.328 0.012 0.000 1.080 65 H CA -0.246 55.793 56.048 -0.014 0.000 1.301 65 H CB 1.753 31.515 29.762 0.000 0.000 1.425 65 H HN 0.463 nan 8.280 nan 0.000 0.471 66 S N 2.986 118.769 115.700 0.138 0.000 2.499 66 S HA 0.205 4.674 4.470 -0.000 0.000 0.275 66 S C 0.100 174.748 174.600 0.081 0.000 1.257 66 S CA -0.461 57.792 58.200 0.089 0.000 1.050 66 S CB 0.439 63.676 63.200 0.063 0.000 0.937 66 S HN 0.750 nan 8.310 nan 0.000 0.490 67 E N 2.818 123.059 120.200 0.070 0.000 2.393 67 E HA 0.350 4.699 4.350 -0.000 0.000 0.273 67 E C 0.654 177.275 176.600 0.034 0.000 0.918 67 E CA -0.815 55.612 56.400 0.046 0.000 0.773 67 E CB 1.124 30.849 29.700 0.043 0.000 1.275 67 E HN 0.613 nan 8.360 nan 0.000 0.451 68 K N 0.900 121.311 120.400 0.018 0.000 2.071 68 K HA -0.334 3.986 4.320 -0.000 0.000 0.217 68 K C 1.227 177.833 176.600 0.011 0.000 1.054 68 K CA 2.846 59.140 56.287 0.011 0.000 0.937 68 K CB -0.037 32.463 32.500 0.001 0.000 0.719 68 K HN 0.504 nan 8.250 nan 0.000 0.454 69 E N 0.733 120.936 120.200 0.005 0.000 2.933 69 E HA 0.134 4.484 4.350 -0.000 0.000 0.246 69 E C 0.125 176.731 176.600 0.011 0.000 1.066 69 E CA -0.187 56.214 56.400 0.002 0.000 0.984 69 E CB -0.342 29.349 29.700 -0.016 0.000 2.860 69 E HN 0.293 nan 8.360 nan 0.000 0.586 70 R N 2.052 122.543 120.500 -0.014 0.000 2.404 70 R HA 0.102 4.442 4.340 -0.000 0.000 0.315 70 R C -0.556 175.769 176.300 0.042 0.000 1.032 70 R CA 0.145 56.236 56.100 -0.015 0.000 0.992 70 R CB -0.141 30.090 30.300 -0.114 0.000 0.959 70 R HN 0.576 nan 8.270 nan 0.000 0.428 71 E N 1.719 121.993 120.200 0.125 0.000 2.345 71 E HA 0.161 4.511 4.350 -0.000 0.000 0.259 71 E C -0.486 176.279 176.600 0.275 0.000 1.117 71 E CA -0.575 55.944 56.400 0.199 0.000 0.913 71 E CB 1.176 31.046 29.700 0.283 0.000 1.057 71 E HN 0.400 nan 8.360 nan 0.000 0.432 72 S N -0.315 115.534 115.700 0.249 0.000 2.536 72 S HA 0.653 5.123 4.470 -0.000 0.000 0.298 72 S C -1.287 173.373 174.600 0.101 0.000 1.083 72 S CA -0.630 57.730 58.200 0.267 0.000 0.995 72 S CB 1.354 64.713 63.200 0.264 0.000 1.058 72 S HN 0.598 nan 8.310 nan 0.000 0.488 73 A N 2.751 125.594 122.820 0.037 0.000 2.303 73 A HA 0.635 4.955 4.320 -0.000 0.000 0.320 73 A C -0.402 177.162 177.584 -0.033 0.000 1.192 73 A CA -0.608 51.368 52.037 -0.102 0.000 0.821 73 A CB 0.730 19.659 19.000 -0.118 0.000 1.188 73 A HN 0.848 nan 8.150 nan 0.000 0.492 74 E N 4.067 124.243 120.200 -0.041 0.000 2.102 74 E HA 0.380 4.730 4.350 -0.000 0.000 0.263 74 E C -2.612 173.977 176.600 -0.019 0.000 0.894 74 E CA -2.186 54.236 56.400 0.036 0.000 0.746 74 E CB 0.945 30.776 29.700 0.219 0.000 1.129 74 E HN 0.315 nan 8.360 nan 0.000 0.416 75 P HA -0.135 nan 4.420 nan 0.000 0.259 75 P C -0.319 176.982 177.300 0.002 0.000 1.163 75 P CA 0.843 63.940 63.100 -0.005 0.000 0.760 75 P CB 0.627 32.338 31.700 0.018 0.000 0.762 76 E N 2.763 122.956 120.200 -0.011 0.000 2.713 76 E HA 0.091 4.441 4.350 -0.000 0.000 0.201 76 E C -0.065 176.534 176.600 -0.003 0.000 0.935 76 E CA -0.178 56.222 56.400 -0.001 0.000 1.273 76 E CB 0.295 29.989 29.700 -0.011 0.000 1.221 76 E HN 0.366 nan 8.360 nan 0.000 0.547 77 E N 0.869 121.058 120.200 -0.018 0.000 2.210 77 E HA 0.278 4.627 4.350 -0.000 0.000 0.266 77 E C -1.483 175.092 176.600 -0.042 0.000 0.883 77 E CA -0.941 55.444 56.400 -0.026 0.000 0.761 77 E CB 1.713 31.398 29.700 -0.025 0.000 1.156 77 E HN 0.203 nan 8.360 nan 0.000 0.412 78 L N 6.089 127.268 121.223 -0.074 0.000 2.342 78 L HA 0.117 4.456 4.340 -0.000 0.000 0.285 78 L C 0.184 177.007 176.870 -0.079 0.000 1.095 78 L CA 0.416 55.183 54.840 -0.121 0.000 0.843 78 L CB 0.856 42.758 42.059 -0.262 0.000 1.201 78 L HN 0.548 nan 8.230 nan 0.000 0.445 79 V N 3.177 123.059 119.914 -0.052 0.000 2.283 79 V HA 0.099 4.219 4.120 -0.000 0.000 0.239 79 V C 0.431 176.509 176.094 -0.027 0.000 1.035 79 V CA 0.965 63.247 62.300 -0.031 0.000 1.018 79 V CB -0.318 31.495 31.823 -0.016 0.000 0.658 79 V HN 0.837 nan 8.190 nan 0.000 0.459 80 E N 0.851 121.039 120.200 -0.021 0.000 2.281 80 E HA 0.383 4.733 4.350 -0.000 0.000 0.266 80 E C -2.978 173.629 176.600 0.011 0.000 0.893 80 E CA -2.328 54.071 56.400 -0.002 0.000 0.798 80 E CB 2.234 31.944 29.700 0.016 0.000 1.245 80 E HN 0.168 nan 8.360 nan 0.000 0.410 81 P HA 0.158 nan 4.420 nan 0.000 0.284 81 P C -0.038 177.328 177.300 0.110 0.000 1.253 81 P CA -0.461 62.667 63.100 0.047 0.000 0.800 81 P CB 0.755 32.467 31.700 0.019 0.000 0.961 82 F N 3.048 122.982 119.950 -0.027 0.000 2.098 82 F HA 0.077 4.604 4.527 0.000 0.000 0.294 82 F C 0.647 176.409 175.800 -0.064 0.000 1.107 82 F CA 1.165 59.127 58.000 -0.062 0.000 1.234 82 F CB -0.201 38.731 39.000 -0.115 0.000 1.002 82 F HN 0.101 nan 8.300 nan 0.000 0.472 83 L N 0.697 121.877 121.223 -0.071 0.000 2.312 83 L HA 0.301 4.641 4.340 -0.000 0.000 0.281 83 L C 0.827 177.669 176.870 -0.046 0.000 1.070 83 L CA 0.211 54.928 54.840 -0.205 0.000 0.805 83 L CB 1.466 43.279 42.059 -0.411 0.000 1.174 83 L HN 0.266 nan 8.230 nan 0.000 0.434 84 T N -0.739 113.825 114.554 0.017 0.000 3.212 84 T HA 0.151 4.501 4.350 -0.000 0.000 0.157 84 T C 0.465 175.298 174.700 0.221 0.000 0.908 84 T CA -0.523 61.639 62.100 0.102 0.000 0.954 84 T CB 0.095 68.997 68.868 0.057 0.000 1.709 84 T HN 0.389 nan 8.240 nan 0.000 0.335 85 R N 1.436 122.036 120.500 0.166 0.000 2.221 85 R HA 0.589 4.929 4.340 -0.000 0.000 0.327 85 R C -1.113 175.318 176.300 0.218 0.000 1.033 85 R CA -0.761 55.438 56.100 0.165 0.000 0.887 85 R CB 0.122 30.468 30.300 0.076 0.000 1.057 85 R HN 0.614 nan 8.270 nan 0.000 0.455 86 F N 1.879 121.824 119.950 -0.008 0.000 2.711 86 F HA 0.614 5.141 4.527 -0.000 0.000 0.313 86 F C -1.419 174.400 175.800 0.032 0.000 1.141 86 F CA -1.348 56.648 58.000 -0.006 0.000 0.941 86 F CB 0.949 39.937 39.000 -0.021 0.000 1.349 86 F HN 0.149 nan 8.300 nan 0.000 0.464 87 V N -0.352 119.584 119.914 0.037 0.000 2.815 87 V HA 1.089 5.209 4.120 -0.000 0.000 0.314 87 V C -0.292 175.915 176.094 0.187 0.000 1.064 87 V CA -0.100 62.225 62.300 0.043 0.000 0.952 87 V CB 0.780 32.727 31.823 0.206 0.000 1.020 87 V HN 1.665 nan 8.190 nan 0.000 0.439 88 G N 2.079 110.931 108.800 0.085 0.000 2.506 88 G HA2 0.510 4.470 3.960 -0.000 0.000 0.292 88 G HA3 0.510 4.470 3.960 -0.000 0.000 0.292 88 G C -1.778 172.901 174.900 -0.367 0.000 1.425 88 G CA -1.162 43.896 45.100 -0.070 0.000 0.788 88 G HN 0.785 nan 8.290 nan 0.000 0.490 89 K N 0.614 120.663 120.400 -0.585 0.000 2.263 89 K HA 0.549 4.869 4.320 -0.000 0.000 0.272 89 K C 0.117 176.556 176.600 -0.268 0.000 1.033 89 K CA -0.563 55.345 56.287 -0.632 0.000 0.884 89 K CB 2.225 34.256 32.500 -0.782 0.000 1.107 89 K HN 0.265 nan 8.250 nan 0.000 0.460 90 V N 3.372 123.204 119.914 -0.138 0.000 2.963 90 V HA -0.044 4.076 4.120 -0.000 0.000 0.306 90 V C 0.249 176.324 176.094 -0.031 0.000 1.077 90 V CA 0.264 62.526 62.300 -0.063 0.000 1.124 90 V CB 0.881 32.715 31.823 0.019 0.000 0.987 90 V HN 0.866 nan 8.190 nan 0.000 0.487 91 Q N 1.908 121.692 119.800 -0.027 0.000 2.707 91 Q HA 0.826 5.166 4.340 -0.000 0.000 0.307 91 Q C -0.240 175.759 176.000 -0.001 0.000 0.934 91 Q CA -0.363 55.436 55.803 -0.007 0.000 0.753 91 Q CB 1.858 30.583 28.738 -0.022 0.000 1.478 91 Q HN 1.356 nan 8.270 nan 0.000 0.458 92 G N 0.255 109.059 108.800 0.007 0.000 2.566 92 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.599 92 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.599 92 G C -1.507 173.404 174.900 0.019 0.000 1.292 92 G CA -0.460 44.645 45.100 0.009 0.000 0.922 92 G HN 0.912 nan 8.290 nan 0.000 0.514 93 K N 0.332 120.744 120.400 0.019 0.000 2.110 93 K HA 0.475 4.795 4.320 -0.000 0.000 0.263 93 K C 1.453 178.068 176.600 0.026 0.000 0.975 93 K CA -0.129 56.170 56.287 0.021 0.000 0.895 93 K CB 1.307 33.818 32.500 0.017 0.000 1.060 93 K HN 0.604 nan 8.250 nan 0.000 0.448 94 N N 1.989 120.704 118.700 0.025 0.000 1.524 94 N HA -0.316 4.424 4.740 -0.000 0.000 0.117 94 N C 0.441 175.973 175.510 0.036 0.000 0.436 94 N CA 2.560 55.626 53.050 0.027 0.000 0.787 94 N CB -0.626 37.871 38.487 0.016 0.000 0.665 94 N HN 0.710 nan 8.380 nan 0.000 1.384 95 D N 0.256 120.675 120.400 0.032 0.000 2.339 95 D HA 0.060 4.700 4.640 -0.000 0.000 0.217 95 D C 0.225 176.553 176.300 0.046 0.000 1.050 95 D CA 0.351 54.375 54.000 0.040 0.000 0.856 95 D CB 0.293 41.113 40.800 0.033 0.000 0.922 95 D HN 0.142 nan 8.370 nan 0.000 0.518 96 R N 1.064 121.587 120.500 0.039 0.000 2.868 96 R HA 0.336 4.676 4.340 -0.000 0.000 0.289 96 R C -0.286 176.027 176.300 0.021 0.000 1.443 96 R CA -0.340 55.785 56.100 0.040 0.000 1.651 96 R CB 0.220 30.541 30.300 0.035 0.000 1.242 96 R HN 0.083 nan 8.270 nan 0.000 0.621 97 L N 0.749 121.978 121.223 0.009 0.000 2.417 97 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 97 L C 0.693 177.522 176.870 -0.068 0.000 1.158 97 L CA -0.409 54.414 54.840 -0.029 0.000 0.819 97 L CB 1.072 43.099 42.059 -0.053 0.000 1.112 97 L HN 0.270 nan 8.230 nan 0.000 0.458 98 A N 3.858 126.636 122.820 -0.070 0.000 2.430 98 A HA 0.831 5.151 4.320 -0.000 0.000 0.300 98 A C -1.106 176.421 177.584 -0.096 0.000 1.124 98 A CA -0.541 51.442 52.037 -0.090 0.000 0.766 98 A CB 1.767 20.731 19.000 -0.060 0.000 1.328 98 A HN 0.674 nan 8.150 nan 0.000 0.424 99 I N 1.236 121.756 120.570 -0.083 0.000 2.478 99 I HA 0.444 4.614 4.170 -0.000 0.000 0.287 99 I C -1.353 174.759 176.117 -0.008 0.000 1.042 99 I CA -0.758 60.506 61.300 -0.060 0.000 1.067 99 I CB 1.719 39.689 38.000 -0.051 0.000 1.233 99 I HN 0.354 nan 8.210 nan 0.000 0.431 100 V N 9.777 129.665 119.914 -0.043 0.000 2.408 100 V HA 0.296 4.416 4.120 -0.000 0.000 0.267 100 V C -1.988 174.128 176.094 0.036 0.000 1.047 100 V CA -1.432 60.850 62.300 -0.030 0.000 0.937 100 V CB 0.611 32.395 31.823 -0.066 0.000 0.999 100 V HN 0.589 nan 8.190 nan 0.000 0.472 101 P HA 0.070 nan 4.420 nan 0.000 0.268 101 P C -0.333 177.072 177.300 0.174 0.000 1.204 101 P CA -0.197 63.044 63.100 0.235 0.000 0.768 101 P CB 0.487 32.170 31.700 -0.028 0.000 0.842 102 D N 2.469 123.018 120.400 0.249 0.000 2.541 102 D HA -0.030 4.610 4.640 -0.000 0.000 0.231 102 D C -0.549 175.887 176.300 0.226 0.000 1.163 102 D CA 0.513 54.656 54.000 0.237 0.000 1.077 102 D CB -0.823 40.229 40.800 0.421 0.000 1.110 102 D HN 0.259 nan 8.370 nan 0.000 0.499 103 H N 2.277 121.386 119.070 0.065 0.000 3.026 103 H HA 0.208 4.764 4.556 -0.000 0.000 0.352 103 H C -2.116 173.197 175.328 -0.024 0.000 1.090 103 H CA -1.517 54.562 56.048 0.053 0.000 1.268 103 H CB 2.115 31.961 29.762 0.140 0.000 1.816 103 H HN 0.051 nan 8.280 nan 0.000 0.518 104 P HA -0.124 nan 4.420 nan 0.000 0.216 104 P C 1.139 178.406 177.300 -0.056 0.000 1.154 104 P CA 1.283 64.287 63.100 -0.160 0.000 0.865 104 P CB 0.326 31.866 31.700 -0.267 0.000 0.789 105 L N -1.937 119.349 121.223 0.105 0.000 2.741 105 L HA 0.175 4.515 4.340 -0.000 0.000 0.237 105 L C 0.352 177.109 176.870 -0.187 0.000 1.178 105 L CA -0.009 54.718 54.840 -0.189 0.000 0.973 105 L CB -0.170 41.471 42.059 -0.696 0.000 1.255 105 L HN -0.103 nan 8.230 nan 0.000 0.498 106 L N -0.442 120.752 121.223 -0.048 0.000 2.556 106 L HA 0.269 4.609 4.340 -0.000 0.000 0.243 106 L C 1.032 177.849 176.870 -0.087 0.000 1.331 106 L CA -0.252 54.530 54.840 -0.098 0.000 0.927 106 L CB 0.941 42.944 42.059 -0.095 0.000 1.219 106 L HN -0.110 nan 8.230 nan 0.000 0.490 107 K N 0.309 120.652 120.400 -0.095 0.000 2.148 107 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 107 K C 0.492 177.041 176.600 -0.084 0.000 1.050 107 K CA 1.002 57.242 56.287 -0.078 0.000 0.942 107 K CB 0.210 32.666 32.500 -0.074 0.000 0.724 107 K HN 0.402 nan 8.250 nan 0.000 0.446 108 D N 0.748 121.081 120.400 -0.112 0.000 2.414 108 D HA 0.085 4.725 4.640 -0.000 0.000 0.242 108 D C -0.567 175.660 176.300 -0.121 0.000 1.129 108 D CA 0.329 54.261 54.000 -0.113 0.000 0.885 108 D CB 1.238 41.959 40.800 -0.132 0.000 1.198 108 D HN 0.278 nan 8.370 nan 0.000 0.437 109 A N 2.856 125.625 122.820 -0.085 0.000 2.309 109 A HA 0.481 4.801 4.320 -0.000 0.000 0.298 109 A C 0.144 177.682 177.584 -0.076 0.000 1.165 109 A CA -0.576 51.417 52.037 -0.073 0.000 0.821 109 A CB 0.343 19.311 19.000 -0.054 0.000 1.102 109 A HN 0.546 nan 8.150 nan 0.000 0.500 110 I N 3.725 124.247 120.570 -0.079 0.000 2.321 110 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 110 I C -2.176 173.860 176.117 -0.135 0.000 0.998 110 I CA -2.179 59.071 61.300 -0.083 0.000 1.227 110 I CB 1.804 39.756 38.000 -0.080 0.000 1.368 110 I HN 0.410 nan 8.210 nan 0.000 0.466 111 P HA -0.053 nan 4.420 nan 0.000 0.263 111 P C -0.646 176.210 177.300 -0.740 0.000 1.175 111 P CA -0.039 62.885 63.100 -0.293 0.000 0.761 111 P CB 0.336 31.978 31.700 -0.097 0.000 0.794 112 C N 1.760 120.705 119.300 -0.591 0.000 3.295 112 C HA 0.918 5.378 4.460 -0.000 0.000 0.370 112 C C -0.732 174.143 174.990 -0.193 0.000 1.974 112 C CA -0.876 57.806 59.018 -0.560 0.000 1.282 112 C CB 1.546 29.095 27.740 -0.319 0.000 2.380 112 C HN 0.647 nan 8.230 nan 0.000 0.443 113 R N -0.285 120.176 120.500 -0.064 0.000 3.737 113 R HA 0.527 4.867 4.340 -0.000 0.000 0.240 113 R C -0.780 175.540 176.300 0.033 0.000 1.044 113 R CA 0.309 56.446 56.100 0.062 0.000 1.164 113 R CB 0.928 31.371 30.300 0.238 0.000 1.244 113 R HN 1.685 nan 8.270 nan 0.000 0.537 114 A N 2.867 125.714 122.820 0.044 0.000 2.520 114 A HA 0.510 4.830 4.320 -0.000 0.000 0.235 114 A C 0.773 178.422 177.584 0.108 0.000 1.065 114 A CA 0.591 52.691 52.037 0.105 0.000 0.764 114 A CB 0.217 19.363 19.000 0.243 0.000 1.002 114 A HN 0.919 nan 8.150 nan 0.000 0.502 115 A N 2.046 124.932 122.820 0.109 0.000 2.206 115 A HA 0.469 4.789 4.320 -0.000 0.000 0.286 115 A C 1.008 178.641 177.584 0.082 0.000 1.334 115 A CA 0.443 52.534 52.037 0.089 0.000 0.843 115 A CB -0.250 18.800 19.000 0.083 0.000 1.169 115 A HN 1.787 nan 8.150 nan 0.000 0.511 116 R N -1.676 118.863 120.500 0.065 0.000 2.265 116 R HA 0.557 4.897 4.340 -0.000 0.000 0.314 116 R C 1.078 177.410 176.300 0.054 0.000 1.053 116 R CA 0.284 56.416 56.100 0.054 0.000 0.931 116 R CB -0.632 29.693 30.300 0.041 0.000 1.024 116 R HN 2.701 nan 8.270 nan 0.000 0.457 117 G N 0.321 109.151 108.800 0.051 0.000 2.317 117 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.227 117 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.227 117 G C 0.043 174.976 174.900 0.056 0.000 1.042 117 G CA 0.042 45.169 45.100 0.045 0.000 0.623 117 G HN 0.945 nan 8.290 nan 0.000 0.509 118 L N 1.952 123.225 121.223 0.084 0.000 2.534 118 L HA 0.581 4.921 4.340 -0.000 0.000 0.271 118 L C 0.722 177.651 176.870 0.099 0.000 1.178 118 L CA 0.621 55.529 54.840 0.113 0.000 0.907 118 L CB 0.509 42.684 42.059 0.192 0.000 1.164 118 L HN 0.188 nan 8.230 nan 0.000 0.482 119 N N 1.621 120.355 118.700 0.058 0.000 2.210 119 N HA 0.013 4.753 4.740 -0.000 0.000 0.203 119 N C -0.427 175.054 175.510 -0.048 0.000 1.175 119 N CA -0.079 52.978 53.050 0.012 0.000 0.894 119 N CB -0.138 38.347 38.487 -0.003 0.000 1.041 119 N HN 0.790 nan 8.380 nan 0.000 0.506 120 H N 1.829 120.781 119.070 -0.196 0.000 3.034 120 H HA 0.062 4.618 4.556 -0.000 0.000 0.324 120 H C -0.230 174.874 175.328 -0.373 0.000 1.015 120 H CA 0.494 56.301 56.048 -0.402 0.000 1.429 120 H CB 0.347 29.685 29.762 -0.706 0.000 1.429 120 H HN -0.050 nan 8.280 nan 0.000 0.585 121 E N 5.133 124.823 120.200 -0.850 0.000 2.070 121 E HA 0.056 4.406 4.350 -0.000 0.000 0.282 121 E C -0.501 175.653 176.600 -0.744 0.000 1.104 121 E CA -0.247 55.818 56.400 -0.559 0.000 0.876 121 E CB 0.124 29.620 29.700 -0.339 0.000 1.055 121 E HN 0.502 nan 8.360 nan 0.000 0.401 122 F N 4.223 124.016 119.950 -0.261 0.000 2.516 122 F HA -0.010 4.517 4.527 -0.000 0.000 0.351 122 F C 1.198 176.989 175.800 -0.016 0.000 1.208 122 F CA 0.215 58.202 58.000 -0.022 0.000 1.073 122 F CB 0.003 39.064 39.000 0.102 0.000 1.203 122 F HN 0.212 nan 8.300 nan 0.000 0.602 123 K N 1.896 122.366 120.400 0.117 0.000 2.213 123 K HA -0.024 4.296 4.320 -0.000 0.000 0.243 123 K C 0.237 176.947 176.600 0.184 0.000 1.085 123 K CA -0.259 56.102 56.287 0.122 0.000 0.818 123 K CB 0.283 32.855 32.500 0.119 0.000 1.106 123 K HN 0.505 nan 8.250 nan 0.000 0.520 124 E N -0.983 119.298 120.200 0.134 0.000 2.216 124 E HA 0.240 4.590 4.350 -0.000 0.000 0.279 124 E C 0.303 176.978 176.600 0.124 0.000 0.997 124 E CA 0.227 56.690 56.400 0.106 0.000 0.817 124 E CB 0.962 30.703 29.700 0.068 0.000 1.096 124 E HN 0.652 nan 8.360 nan 0.000 0.393 125 G N 3.689 112.536 108.800 0.079 0.000 2.205 125 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.261 125 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.261 125 G C -0.273 174.676 174.900 0.081 0.000 0.980 125 G CA 0.167 45.299 45.100 0.053 0.000 0.632 125 G HN 0.657 nan 8.290 nan 0.000 0.533 126 D N 0.278 120.809 120.400 0.220 0.000 2.493 126 D HA 0.292 4.932 4.640 -0.000 0.000 0.240 126 D C 0.507 176.934 176.300 0.212 0.000 1.142 126 D CA 0.125 54.358 54.000 0.388 0.000 0.872 126 D CB 0.228 41.427 40.800 0.666 0.000 1.173 126 D HN 0.337 nan 8.370 nan 0.000 0.467 127 W N 1.749 123.140 121.300 0.152 0.000 2.304 127 W HA 0.463 5.123 4.660 -0.000 0.000 0.313 127 W C 0.346 176.910 176.519 0.074 0.000 1.323 127 W CA -0.360 57.021 57.345 0.060 0.000 1.223 127 W CB 0.696 30.135 29.460 -0.035 0.000 1.237 127 W HN 0.280 nan 8.180 nan 0.000 0.535 128 A N 2.628 125.599 122.820 0.253 0.000 2.454 128 A HA 0.789 5.109 4.320 -0.000 0.000 0.302 128 A C -1.235 176.350 177.584 0.003 0.000 1.079 128 A CA -0.783 51.358 52.037 0.174 0.000 0.731 128 A CB 1.102 20.116 19.000 0.023 0.000 1.299 128 A HN 0.323 nan 8.150 nan 0.000 0.413 129 V N 0.710 120.609 119.914 -0.026 0.000 2.686 129 V HA 0.686 4.806 4.120 -0.000 0.000 0.295 129 V C 0.622 176.552 176.094 -0.274 0.000 1.057 129 V CA 0.479 62.693 62.300 -0.143 0.000 1.012 129 V CB 1.298 33.084 31.823 -0.062 0.000 1.006 129 V HN 1.390 nan 8.190 nan 0.000 0.477 130 A N 3.812 126.317 122.820 -0.525 0.000 2.498 130 A HA 0.855 5.175 4.320 -0.000 0.000 0.298 130 A C -0.778 176.651 177.584 -0.258 0.000 1.075 130 A CA -0.678 51.061 52.037 -0.496 0.000 0.714 130 A CB 1.789 20.327 19.000 -0.770 0.000 1.299 130 A HN 0.781 nan 8.150 nan 0.000 0.407 134 R N -0.212 120.424 120.500 0.227 0.000 2.686 134 R HA 0.509 4.849 4.340 -0.000 0.000 0.283 134 R C -1.315 175.087 176.300 0.171 0.000 0.978 134 R CA -0.787 55.416 56.100 0.172 0.000 0.897 134 R CB 2.180 32.575 30.300 0.160 0.000 1.192 134 R HN 0.030 nan 8.270 nan 0.000 0.457 135 H N 3.714 122.760 119.070 -0.040 0.000 2.877 135 H HA 0.188 4.744 4.556 -0.000 0.000 0.347 135 H C -2.157 173.004 175.328 -0.277 0.000 1.042 135 H CA -2.120 53.803 56.048 -0.208 0.000 1.276 135 H CB 2.467 32.200 29.762 -0.049 0.000 1.681 135 H HN 0.289 nan 8.280 nan 0.000 0.521 136 P HA -0.183 nan 4.420 nan 0.000 0.216 136 P C 1.779 179.055 177.300 -0.040 0.000 1.154 136 P CA 0.926 63.860 63.100 -0.277 0.000 0.865 136 P CB 0.520 31.944 31.700 -0.460 0.000 0.789 137 L N -1.058 120.280 121.223 0.192 0.000 2.362 137 L HA -0.095 4.245 4.340 -0.000 0.000 0.219 137 L C 1.819 178.715 176.870 0.044 0.000 1.134 137 L CA 1.335 56.258 54.840 0.139 0.000 0.807 137 L CB -0.636 41.502 42.059 0.132 0.000 0.927 137 L HN 0.043 nan 8.230 nan 0.000 0.447 138 K N -0.021 120.412 120.400 0.055 0.000 2.551 138 K HA 0.148 4.468 4.320 -0.000 0.000 0.204 138 K C 1.133 177.737 176.600 0.006 0.000 1.033 138 K CA 0.468 56.762 56.287 0.011 0.000 1.187 138 K CB 0.172 32.682 32.500 0.017 0.000 0.900 138 K HN 0.332 nan 8.250 nan 0.000 0.499 139 G N 1.670 110.469 108.800 -0.001 0.000 2.155 139 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.257 139 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.257 139 G C -0.216 174.670 174.900 -0.024 0.000 0.983 139 G CA 0.140 45.232 45.100 -0.014 0.000 0.676 139 G HN 0.350 nan 8.290 nan 0.000 0.528 140 D N -0.834 119.549 120.400 -0.029 0.000 2.358 140 D HA 0.283 4.923 4.640 -0.000 0.000 0.244 140 D C 1.475 177.733 176.300 -0.070 0.000 1.163 140 D CA -0.564 53.412 54.000 -0.040 0.000 0.945 140 D CB 0.651 41.436 40.800 -0.024 0.000 1.152 140 D HN 0.087 nan 8.370 nan 0.000 0.451 141 R N 0.148 120.615 120.500 -0.055 0.000 2.062 141 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 141 R C 0.258 176.512 176.300 -0.077 0.000 1.136 141 R CA 1.018 57.087 56.100 -0.053 0.000 0.948 141 R CB 0.214 30.495 30.300 -0.032 0.000 0.845 141 R HN 0.339 nan 8.270 nan 0.000 0.430 142 S N -2.358 113.300 115.700 -0.070 0.000 2.790 142 S HA 0.345 4.815 4.470 -0.000 0.000 0.292 142 S C -1.231 173.304 174.600 -0.108 0.000 1.197 142 S CA -0.786 57.343 58.200 -0.120 0.000 0.851 142 S CB 0.667 63.875 63.200 0.013 0.000 1.217 142 S HN 0.128 nan 8.310 nan 0.000 0.526 143 F N 1.705 121.648 119.950 -0.012 0.000 2.538 143 F HA 0.374 4.901 4.527 -0.000 0.000 0.371 143 F C -0.196 175.657 175.800 0.089 0.000 1.087 143 F CA 0.545 58.537 58.000 -0.014 0.000 1.250 143 F CB 0.246 39.190 39.000 -0.093 0.000 1.110 143 F HN 0.407 nan 8.300 nan 0.000 0.570 144 Y N 2.278 122.693 120.300 0.192 0.000 2.433 144 Y HA 0.654 5.204 4.550 -0.000 0.000 0.337 144 Y C -0.760 175.230 175.900 0.150 0.000 1.026 144 Y CA -1.014 57.165 58.100 0.131 0.000 1.037 144 Y CB 1.435 39.941 38.460 0.078 0.000 1.245 144 Y HN 0.665 nan 8.280 nan 0.000 0.443 145 A N 3.992 126.702 122.820 -0.183 0.000 2.384 145 A HA 0.661 4.981 4.320 -0.000 0.000 0.312 145 A C -1.332 176.238 177.584 -0.022 0.000 1.113 145 A CA -0.851 51.209 52.037 0.037 0.000 0.779 145 A CB 1.490 20.584 19.000 0.157 0.000 1.307 145 A HN 0.719 nan 8.150 nan 0.000 0.436 146 E N 1.770 122.010 120.200 0.067 0.000 2.129 146 E HA 0.496 4.846 4.350 -0.000 0.000 0.268 146 E C -1.327 175.241 176.600 -0.053 0.000 0.900 146 E CA -0.491 55.935 56.400 0.044 0.000 0.755 146 E CB 0.655 30.416 29.700 0.102 0.000 1.117 146 E HN 0.595 nan 8.360 nan 0.000 0.410 147 L N 4.987 126.134 121.223 -0.127 0.000 2.433 147 L HA 0.121 4.461 4.340 -0.000 0.000 0.275 147 L C 1.326 178.177 176.870 -0.032 0.000 1.128 147 L CA 0.088 54.803 54.840 -0.208 0.000 0.875 147 L CB 0.428 42.175 42.059 -0.519 0.000 1.171 147 L HN 0.757 nan 8.230 nan 0.000 0.463 148 T N -0.791 113.763 114.554 -0.000 0.000 3.001 148 T HA 0.133 4.483 4.350 -0.000 0.000 0.251 148 T C 0.448 175.216 174.700 0.113 0.000 1.040 148 T CA -0.096 62.040 62.100 0.060 0.000 0.985 148 T CB 0.537 69.421 68.868 0.027 0.000 1.011 148 T HN 0.569 nan 8.240 nan 0.000 0.509 149 Q N -0.275 119.624 119.800 0.165 0.000 2.386 149 Q HA 0.412 4.751 4.340 -0.000 0.000 0.274 149 Q C -2.300 173.893 176.000 0.322 0.000 1.011 149 Q CA -1.002 54.910 55.803 0.183 0.000 0.867 149 Q CB 2.357 31.136 28.738 0.069 0.000 1.409 149 Q HN 0.403 nan 8.270 nan 0.000 0.395 150 Y N 3.951 124.287 120.300 0.060 0.000 2.326 150 Y HA 0.368 4.918 4.550 -0.000 0.000 0.337 150 Y C -0.124 175.721 175.900 -0.092 0.000 1.023 150 Y CA 0.028 58.079 58.100 -0.082 0.000 1.143 150 Y CB 0.599 38.666 38.460 -0.656 0.000 1.183 150 Y HN 0.724 nan 8.280 nan 0.000 0.485 151 I N 2.659 122.913 120.570 -0.526 0.000 2.594 151 I HA 0.101 4.271 4.170 -0.000 0.000 0.237 151 I C 0.764 176.366 176.117 -0.859 0.000 1.071 151 I CA 0.721 61.731 61.300 -0.484 0.000 1.427 151 I CB 0.099 38.006 38.000 -0.156 0.000 1.218 151 I HN 0.636 nan 8.210 nan 0.000 0.444 152 T N -0.964 113.077 114.554 -0.855 0.000 2.658 152 T HA 0.371 4.721 4.350 -0.000 0.000 0.305 152 T C -1.473 173.157 174.700 -0.118 0.000 1.551 152 T CA -0.777 60.928 62.100 -0.659 0.000 0.985 152 T CB 0.616 69.247 68.868 -0.395 0.000 1.731 152 T HN 0.074 nan 8.240 nan 0.000 0.486 153 F N 0.028 120.103 119.950 0.208 0.000 2.348 153 F HA 0.775 5.302 4.527 -0.000 0.000 0.308 153 F C 1.407 177.407 175.800 0.333 0.000 1.175 153 F CA -0.162 58.039 58.000 0.334 0.000 1.080 153 F CB -0.205 38.974 39.000 0.298 0.000 1.341 153 F HN 0.576 nan 8.300 nan 0.000 0.518 154 G N -0.494 108.619 108.800 0.522 0.000 2.395 154 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.214 154 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.214 154 G C 0.809 175.906 174.900 0.330 0.000 1.177 154 G CA 0.820 46.156 45.100 0.393 0.000 0.794 154 G HN 0.699 nan 8.290 nan 0.000 0.532 155 D N 0.451 121.080 120.400 0.382 0.000 2.363 155 D HA 0.012 4.652 4.640 -0.000 0.000 0.226 155 D C 0.200 176.614 176.300 0.190 0.000 1.020 155 D CA -0.294 53.876 54.000 0.282 0.000 0.892 155 D CB -0.177 40.790 40.800 0.277 0.000 0.900 155 D HN 0.097 nan 8.370 nan 0.000 0.531 156 D N -0.550 119.816 120.400 -0.056 0.000 2.412 156 D HA -0.126 4.514 4.640 -0.000 0.000 0.257 156 D C 1.092 177.250 176.300 -0.236 0.000 1.217 156 D CA 0.208 53.996 54.000 -0.353 0.000 0.897 156 D CB 0.541 40.752 40.800 -0.982 0.000 1.132 156 D HN 0.178 nan 8.370 nan 0.000 0.493 157 H N 3.630 122.474 119.070 -0.378 0.000 2.489 157 H HA -0.101 4.455 4.556 -0.000 0.000 0.293 157 H C 0.995 176.002 175.328 -0.535 0.000 1.066 157 H CA 1.501 57.255 56.048 -0.490 0.000 1.305 157 H CB -0.093 29.291 29.762 -0.630 0.000 1.386 157 H HN 0.495 nan 8.280 nan 0.000 0.551 158 F N -1.459 118.370 119.950 -0.203 0.000 2.797 158 F HA 0.040 4.567 4.527 -0.000 0.000 0.302 158 F C 2.120 177.624 175.800 -0.493 0.000 1.130 158 F CA -0.235 57.587 58.000 -0.298 0.000 1.387 158 F CB 0.096 38.788 39.000 -0.513 0.000 1.107 158 F HN -0.029 nan 8.300 nan 0.000 0.577 159 V N 1.774 121.409 119.914 -0.464 0.000 2.251 159 V HA -0.356 3.764 4.120 -0.000 0.000 0.259 159 V C -0.159 175.248 176.094 -1.146 0.000 1.078 159 V CA 2.502 64.307 62.300 -0.824 0.000 1.072 159 V CB -1.510 29.746 31.823 -0.946 0.000 0.681 159 V HN 0.232 nan 8.190 nan 0.000 0.454 160 P HA -0.186 nan 4.420 nan 0.000 0.217 160 P C 1.507 178.145 177.300 -1.104 0.000 1.151 160 P CA 1.997 64.082 63.100 -1.692 0.000 0.849 160 P CB -0.136 30.497 31.700 -1.779 0.000 0.787 161 W N -2.430 118.431 121.300 -0.730 0.000 2.481 161 W HA 0.030 4.690 4.660 -0.000 0.000 0.293 161 W C 2.214 178.476 176.519 -0.428 0.000 1.201 161 W CA 0.649 57.614 57.345 -0.634 0.000 1.328 161 W CB -1.258 27.605 29.460 -0.995 0.000 1.112 161 W HN 0.089 nan 8.180 nan 0.000 0.546 162 W N 0.084 121.274 121.300 -0.184 0.000 2.443 162 W HA -0.113 4.547 4.660 -0.000 0.000 0.296 162 W C 2.213 178.568 176.519 -0.274 0.000 1.202 162 W CA 0.218 57.428 57.345 -0.225 0.000 1.312 162 W CB -0.874 28.420 29.460 -0.277 0.000 1.120 162 W HN -0.425 nan 8.180 nan 0.000 0.536 163 V N 0.508 120.288 119.914 -0.224 0.000 2.358 163 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 163 V C 2.107 178.118 176.094 -0.138 0.000 1.047 163 V CA 2.342 64.471 62.300 -0.284 0.000 1.035 163 V CB -1.276 30.141 31.823 -0.677 0.000 0.658 163 V HN 0.185 nan 8.190 nan 0.000 0.452 164 T N 0.700 115.175 114.554 -0.131 0.000 2.684 164 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 164 T C 1.911 176.642 174.700 0.053 0.000 1.036 164 T CA 1.731 63.811 62.100 -0.034 0.000 1.148 164 T CB -0.374 68.488 68.868 -0.011 0.000 0.863 164 T HN 0.289 nan 8.240 nan 0.000 0.436 165 L N 0.655 121.935 121.223 0.096 0.000 2.046 165 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 165 L C 3.050 179.976 176.870 0.094 0.000 1.077 165 L CA 1.314 56.243 54.840 0.150 0.000 0.747 165 L CB -0.674 41.520 42.059 0.225 0.000 0.896 165 L HN 0.267 nan 8.230 nan 0.000 0.432 166 A N 1.064 123.911 122.820 0.045 0.000 1.873 166 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 166 A C 2.322 179.893 177.584 -0.021 0.000 1.186 166 A CA 1.751 53.793 52.037 0.008 0.000 0.616 166 A CB -0.554 18.439 19.000 -0.012 0.000 0.823 166 A HN 0.521 nan 8.150 nan 0.000 0.442 167 R N -1.210 119.239 120.500 -0.084 0.000 2.120 167 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 167 R C 1.346 177.524 176.300 -0.203 0.000 1.123 167 R CA 1.750 57.753 56.100 -0.162 0.000 0.975 167 R CB -0.716 29.434 30.300 -0.249 0.000 0.866 167 R HN 0.610 nan 8.270 nan 0.000 0.446 168 H N 0.112 119.209 119.070 0.045 0.000 2.539 168 H HA 0.121 4.677 4.556 -0.000 0.000 0.269 168 H C 0.082 175.431 175.328 0.036 0.000 0.980 168 H CA 0.001 56.072 56.048 0.039 0.000 1.152 168 H CB 0.053 29.837 29.762 0.037 0.000 1.407 168 H HN 0.249 nan 8.280 nan 0.000 0.564 169 N N 0.933 119.695 118.700 0.104 0.000 2.725 169 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 169 N C -0.887 174.673 175.510 0.084 0.000 1.031 169 N CA 0.194 53.288 53.050 0.074 0.000 0.720 169 N CB -1.606 36.917 38.487 0.059 0.000 0.930 169 N HN 0.356 nan 8.380 nan 0.000 0.543 170 L N 0.705 121.992 121.223 0.107 0.000 2.325 170 L HA 0.331 4.671 4.340 -0.000 0.000 0.279 170 L C 0.777 177.697 176.870 0.083 0.000 1.054 170 L CA -0.944 53.953 54.840 0.097 0.000 0.804 170 L CB 0.959 43.092 42.059 0.123 0.000 1.200 170 L HN 0.162 nan 8.230 nan 0.000 0.436 171 E N 1.837 122.071 120.200 0.057 0.000 2.442 171 E HA -0.069 4.281 4.350 -0.000 0.000 0.262 171 E C 0.197 176.854 176.600 0.095 0.000 1.004 171 E CA 0.387 56.816 56.400 0.048 0.000 0.928 171 E CB 0.337 30.044 29.700 0.012 0.000 0.937 171 E HN 0.404 nan 8.360 nan 0.000 0.446 172 K N 1.290 121.761 120.400 0.118 0.000 2.374 172 K HA 0.251 4.571 4.320 -0.000 0.000 0.202 172 K C -0.117 176.606 176.600 0.205 0.000 1.040 172 K CA 0.052 56.489 56.287 0.250 0.000 1.085 172 K CB 0.809 33.508 32.500 0.332 0.000 0.873 172 K HN 0.337 nan 8.250 nan 0.000 0.539 173 E N 1.033 121.275 120.200 0.070 0.000 2.336 173 E HA 0.514 4.864 4.350 -0.000 0.000 0.267 173 E C -1.098 175.476 176.600 -0.043 0.000 0.906 173 E CA -1.010 55.401 56.400 0.018 0.000 0.781 173 E CB 2.181 31.887 29.700 0.010 0.000 1.261 173 E HN 0.225 nan 8.360 nan 0.000 0.436 174 A N 2.305 125.082 122.820 -0.073 0.000 2.448 174 A HA 0.311 4.631 4.320 -0.000 0.000 0.239 174 A C -2.194 175.352 177.584 -0.064 0.000 1.080 174 A CA -0.851 51.134 52.037 -0.086 0.000 0.779 174 A CB -0.546 18.396 19.000 -0.097 0.000 1.026 174 A HN 0.270 nan 8.150 nan 0.000 0.499 175 P HA 0.119 nan 4.420 nan 0.000 0.269 175 P C -0.744 176.526 177.300 -0.049 0.000 1.209 175 P CA -0.241 62.825 63.100 -0.057 0.000 0.776 175 P CB 0.356 32.018 31.700 -0.064 0.000 0.876 176 D N 1.425 121.801 120.400 -0.040 0.000 2.450 176 D HA 0.206 4.846 4.640 -0.000 0.000 0.247 176 D C 0.747 177.026 176.300 -0.034 0.000 1.162 176 D CA 0.907 54.886 54.000 -0.034 0.000 0.879 176 D CB 0.427 41.211 40.800 -0.027 0.000 1.163 176 D HN 0.424 nan 8.370 nan 0.000 0.472 177 G N 1.524 110.303 108.800 -0.035 0.000 3.764 177 G HA2 0.366 4.326 3.960 -0.000 0.000 0.333 177 G HA3 0.366 4.326 3.960 -0.000 0.000 0.333 177 G C 0.076 174.960 174.900 -0.026 0.000 1.551 177 G CA -0.614 44.466 45.100 -0.033 0.000 0.995 177 G HN 0.358 nan 8.290 nan 0.000 0.485 178 V N 0.752 120.657 119.914 -0.015 0.000 2.434 178 V HA 0.432 4.552 4.120 -0.000 0.000 0.281 178 V C 0.929 177.024 176.094 0.001 0.000 1.005 178 V CA -0.401 61.895 62.300 -0.006 0.000 1.089 178 V CB -0.043 31.780 31.823 -0.000 0.000 0.978 178 V HN 0.777 nan 8.190 nan 0.000 0.474 179 A N 4.093 126.912 122.820 -0.001 0.000 2.527 179 A HA 0.690 5.010 4.320 -0.000 0.000 0.313 179 A C 0.865 178.478 177.584 0.048 0.000 1.410 179 A CA 0.369 52.413 52.037 0.012 0.000 1.060 179 A CB -0.640 18.344 19.000 -0.027 0.000 1.137 179 A HN 1.264 nan 8.150 nan 0.000 0.542 180 T N 1.022 115.619 114.554 0.072 0.000 2.754 180 T HA 0.580 4.930 4.350 -0.000 0.000 0.286 180 T C 0.733 175.521 174.700 0.146 0.000 0.997 180 T CA 0.291 62.441 62.100 0.083 0.000 0.982 180 T CB 0.082 68.988 68.868 0.064 0.000 1.027 180 T HN 1.198 nan 8.240 nan 0.000 0.529 184 D N -0.695 119.641 120.400 -0.107 0.000 2.879 184 D HA 0.648 5.288 4.640 -0.000 0.000 0.236 184 D C -0.081 176.183 176.300 -0.060 0.000 1.171 184 D CA 0.715 54.662 54.000 -0.088 0.000 0.868 184 D CB 2.575 43.331 40.800 -0.073 0.000 1.598 184 D HN 0.723 nan 8.370 nan 0.000 0.497 185 E N 0.966 121.134 120.200 -0.053 0.000 3.100 185 E HA 0.400 4.750 4.350 -0.000 0.000 0.191 185 E C 1.054 177.637 176.600 -0.029 0.000 1.097 185 E CA 0.325 56.703 56.400 -0.036 0.000 1.339 185 E CB 0.161 29.842 29.700 -0.032 0.000 1.330 185 E HN 0.545 nan 8.360 nan 0.000 0.511 186 G N 0.552 109.334 108.800 -0.029 0.000 5.609 186 G HA2 0.370 4.329 3.960 -0.000 0.000 0.195 186 G HA3 0.370 4.329 3.960 -0.000 0.000 0.195 186 G C 0.021 174.909 174.900 -0.019 0.000 0.749 186 G CA -0.353 44.735 45.100 -0.021 0.000 0.662 186 G HN 0.308 nan 8.290 nan 0.000 0.288 187 L N 1.583 122.788 121.223 -0.030 0.000 2.737 187 L HA 0.114 4.454 4.340 -0.000 0.000 0.288 187 L C 0.742 177.604 176.870 -0.013 0.000 1.185 187 L CA -0.134 54.690 54.840 -0.027 0.000 1.127 187 L CB 0.309 42.336 42.059 -0.054 0.000 1.432 187 L HN -0.046 nan 8.230 nan 0.000 0.449 188 V N 2.337 122.254 119.914 0.005 0.000 2.800 188 V HA 0.094 4.214 4.120 -0.000 0.000 0.365 188 V C 1.379 177.495 176.094 0.037 0.000 1.527 188 V CA -0.033 62.275 62.300 0.014 0.000 1.623 188 V CB -0.962 30.869 31.823 0.013 0.000 1.407 188 V HN 0.784 nan 8.190 nan 0.000 0.527 189 R N 1.303 121.816 120.500 0.022 0.000 2.404 189 R HA 0.278 4.618 4.340 -0.000 0.000 0.315 189 R C 0.452 176.780 176.300 0.046 0.000 1.032 189 R CA 0.084 56.205 56.100 0.035 0.000 0.992 189 R CB -0.582 29.715 30.300 -0.004 0.000 0.959 189 R HN 0.763 nan 8.270 nan 0.000 0.428 190 E N 0.579 120.839 120.200 0.099 0.000 4.599 190 E HA 0.192 4.542 4.350 -0.000 0.000 0.511 190 E C -0.589 176.048 176.600 0.061 0.000 1.366 190 E CA -0.364 56.092 56.400 0.094 0.000 3.281 190 E CB 0.443 30.243 29.700 0.167 0.000 1.717 190 E HN 0.701 nan 8.360 nan 0.000 0.617 191 D N -0.256 120.182 120.400 0.064 0.000 2.337 191 D HA 0.176 4.816 4.640 -0.000 0.000 0.238 191 D C -1.027 175.294 176.300 0.034 0.000 1.331 191 D CA -0.111 53.908 54.000 0.031 0.000 0.967 191 D CB 0.266 41.076 40.800 0.016 0.000 1.382 191 D HN 0.266 nan 8.370 nan 0.000 0.549 192 L N 2.355 123.593 121.223 0.025 0.000 2.965 192 L HA 0.203 4.543 4.340 -0.000 0.000 0.254 192 L C 1.810 178.678 176.870 -0.005 0.000 1.220 192 L CA -0.170 54.685 54.840 0.025 0.000 1.023 192 L CB 0.483 42.587 42.059 0.075 0.000 1.355 192 L HN 0.183 nan 8.230 nan 0.000 0.545 193 T N 0.901 115.447 114.554 -0.013 0.000 2.520 193 T HA -0.270 4.080 4.350 -0.000 0.000 0.258 193 T C 2.189 176.890 174.700 0.001 0.000 1.125 193 T CA 1.896 63.990 62.100 -0.010 0.000 1.206 193 T CB -0.182 68.682 68.868 -0.008 0.000 0.864 193 T HN 0.464 nan 8.240 nan 0.000 0.400 194 A N 1.511 124.328 122.820 -0.005 0.000 1.929 194 A HA -0.108 4.212 4.320 -0.000 0.000 0.221 194 A C 1.205 178.782 177.584 -0.012 0.000 1.211 194 A CA 1.323 53.359 52.037 -0.002 0.000 0.657 194 A CB -1.425 17.574 19.000 -0.001 0.000 0.827 194 A HN 0.559 nan 8.150 nan 0.000 0.462 195 L N 1.033 122.215 121.223 -0.069 0.000 2.562 195 L HA 0.240 4.580 4.340 -0.000 0.000 0.271 195 L C 0.660 177.438 176.870 -0.155 0.000 1.167 195 L CA 0.087 54.815 54.840 -0.186 0.000 0.917 195 L CB -0.541 41.205 42.059 -0.522 0.000 1.187 195 L HN 0.486 nan 8.230 nan 0.000 0.482 196 D N 4.714 125.129 120.400 0.024 0.000 2.368 196 D HA 0.195 4.835 4.640 -0.000 0.000 0.268 196 D C -0.364 176.042 176.300 0.178 0.000 1.298 196 D CA -0.062 54.009 54.000 0.118 0.000 0.938 196 D CB 0.004 40.878 40.800 0.124 0.000 1.101 196 D HN 0.263 nan 8.370 nan 0.000 0.509 197 F N 0.860 120.845 119.950 0.058 0.000 2.377 197 F HA 0.522 5.049 4.527 -0.000 0.000 0.328 197 F C 0.831 176.685 175.800 0.090 0.000 1.094 197 F CA -0.455 57.610 58.000 0.108 0.000 1.093 197 F CB 2.239 41.251 39.000 0.019 0.000 1.214 197 F HN 0.472 nan 8.300 nan 0.000 0.518 198 V N -0.485 119.593 119.914 0.274 0.000 2.789 198 V HA 0.729 4.849 4.120 -0.000 0.000 0.311 198 V C -0.517 175.654 176.094 0.128 0.000 1.073 198 V CA -0.782 61.609 62.300 0.152 0.000 0.921 198 V CB 1.176 33.048 31.823 0.082 0.000 1.009 198 V HN 0.812 nan 8.190 nan 0.000 0.426 199 T N 1.703 116.291 114.554 0.056 0.000 2.875 199 T HA 0.791 5.141 4.350 -0.000 0.000 0.284 199 T C -0.457 174.199 174.700 -0.073 0.000 0.995 199 T CA -0.495 61.604 62.100 -0.002 0.000 1.060 199 T CB 1.074 69.924 68.868 -0.030 0.000 0.967 199 T HN 0.742 nan 8.240 nan 0.000 0.476 200 I N 3.376 123.872 120.570 -0.123 0.000 2.466 200 I HA 0.443 4.613 4.170 -0.000 0.000 0.279 200 I C -0.392 175.392 176.117 -0.554 0.000 1.033 200 I CA -0.608 60.531 61.300 -0.268 0.000 1.123 200 I CB 1.061 38.981 38.000 -0.133 0.000 1.237 200 I HN 0.715 nan 8.210 nan 0.000 0.460 201 D N 2.773 122.757 120.400 -0.693 0.000 2.781 201 D HA 0.310 4.950 4.640 -0.000 0.000 0.295 201 D C -0.445 175.402 176.300 -0.755 0.000 1.143 201 D CA -0.530 53.026 54.000 -0.741 0.000 1.076 201 D CB 1.959 42.576 40.800 -0.305 0.000 1.444 201 D HN 0.336 nan 8.370 nan 0.000 0.567 202 S N -0.814 114.703 115.700 -0.304 0.000 2.640 202 S HA 0.358 4.828 4.470 -0.000 0.000 0.262 202 S C 1.054 175.595 174.600 -0.098 0.000 1.232 202 S CA 0.499 58.657 58.200 -0.071 0.000 0.988 202 S CB 1.104 64.331 63.200 0.044 0.000 1.034 202 S HN 0.490 nan 8.310 nan 0.000 0.569 203 A N 0.764 123.556 122.820 -0.046 0.000 1.929 203 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 203 A C 2.182 179.741 177.584 -0.041 0.000 1.176 203 A CA 1.667 53.672 52.037 -0.052 0.000 0.628 203 A CB -0.899 18.081 19.000 -0.032 0.000 0.816 203 A HN 1.127 nan 8.150 nan 0.000 0.444 204 S N -0.477 115.208 115.700 -0.025 0.000 2.539 204 S HA 0.089 4.559 4.470 -0.000 0.000 0.221 204 S C 0.695 175.284 174.600 -0.018 0.000 0.987 204 S CA 0.516 58.706 58.200 -0.017 0.000 0.929 204 S CB -1.024 62.174 63.200 -0.002 0.000 0.832 204 S HN 0.604 nan 8.310 nan 0.000 0.492 205 T N 0.724 115.262 114.554 -0.028 0.000 2.834 205 T HA 0.338 4.688 4.350 -0.000 0.000 0.298 205 T C 0.447 175.126 174.700 -0.035 0.000 0.966 205 T CA -0.450 61.634 62.100 -0.026 0.000 1.141 205 T CB 0.928 69.776 68.868 -0.034 0.000 0.905 205 T HN 0.409 nan 8.240 nan 0.000 0.535 206 E N 1.855 122.037 120.200 -0.030 0.000 2.474 206 E HA 0.180 4.530 4.350 -0.000 0.000 0.194 206 E C 1.022 177.597 176.600 -0.041 0.000 1.041 206 E CA 0.451 56.830 56.400 -0.036 0.000 0.874 206 E CB 0.191 29.870 29.700 -0.035 0.000 0.914 206 E HN 0.953 nan 8.360 nan 0.000 0.498 210 D N 0.831 121.204 120.400 -0.046 0.000 2.753 210 D HA 0.627 5.267 4.640 -0.000 0.000 0.224 210 D C -1.065 175.235 176.300 0.000 0.000 1.213 210 D CA -0.611 53.363 54.000 -0.043 0.000 0.833 210 D CB 1.977 42.742 40.800 -0.059 0.000 1.607 210 D HN 0.169 nan 8.370 nan 0.000 0.463 211 A N 1.092 123.940 122.820 0.045 0.000 2.479 211 A HA 0.854 5.174 4.320 -0.000 0.000 0.296 211 A C -1.317 176.476 177.584 0.349 0.000 1.121 211 A CA -0.789 51.356 52.037 0.181 0.000 0.743 211 A CB 1.444 20.523 19.000 0.133 0.000 1.323 211 A HN 0.535 nan 8.150 nan 0.000 0.415 212 L N -0.073 121.427 121.223 0.461 0.000 2.424 212 L HA 0.812 5.152 4.340 -0.000 0.000 0.258 212 L C -1.167 175.674 176.870 -0.048 0.000 0.995 212 L CA -0.368 54.630 54.840 0.265 0.000 0.821 212 L CB 2.373 44.503 42.059 0.119 0.000 1.383 212 L HN 0.816 nan 8.230 nan 0.000 0.410 213 F N 1.102 120.813 119.950 -0.397 0.000 2.741 213 F HA 0.834 5.361 4.527 -0.000 0.000 0.311 213 F C -1.541 174.103 175.800 -0.260 0.000 1.149 213 F CA -0.389 57.260 58.000 -0.586 0.000 0.930 213 F CB 1.844 40.034 39.000 -1.351 0.000 1.312 213 F HN 0.538 nan 8.300 nan 0.000 0.450 214 A N 3.447 125.635 122.820 -1.053 0.000 2.594 214 A HA 0.718 5.038 4.320 -0.000 0.000 0.295 214 A C -1.896 175.180 177.584 -0.846 0.000 1.071 214 A CA -0.835 50.824 52.037 -0.630 0.000 0.685 214 A CB 1.992 20.784 19.000 -0.347 0.000 1.285 214 A HN 0.709 nan 8.150 nan 0.000 0.405 215 K N 0.742 120.951 120.400 -0.318 0.000 2.207 215 K HA 0.658 4.978 4.320 -0.000 0.000 0.255 215 K C -0.046 176.498 176.600 -0.093 0.000 0.941 215 K CA -0.501 55.699 56.287 -0.144 0.000 0.825 215 K CB 1.932 34.471 32.500 0.064 0.000 1.119 215 K HN 0.958 nan 8.250 nan 0.000 0.430 216 A N 5.260 128.042 122.820 -0.063 0.000 2.639 216 A HA 0.143 4.463 4.320 -0.000 0.000 0.295 216 A C 0.035 177.613 177.584 -0.010 0.000 1.443 216 A CA 0.042 52.059 52.037 -0.034 0.000 1.117 216 A CB -0.787 18.200 19.000 -0.021 0.000 1.098 216 A HN 0.588 nan 8.150 nan 0.000 0.552 217 L N 2.461 123.676 121.223 -0.012 0.000 2.469 217 L HA 0.286 4.626 4.340 -0.000 0.000 0.253 217 L C -0.845 176.024 176.870 -0.002 0.000 1.143 217 L CA -1.709 53.130 54.840 -0.002 0.000 0.804 217 L CB -0.031 42.026 42.059 -0.003 0.000 1.214 217 L HN 0.453 nan 8.230 nan 0.000 0.476 218 P HA -0.008 nan 4.420 nan 0.000 0.203 218 P C -0.371 176.929 177.300 0.000 0.000 1.211 218 P CA 0.495 63.596 63.100 0.001 0.000 0.913 218 P CB 0.172 31.873 31.700 0.002 0.000 0.745 219 D N 0.253 120.653 120.400 0.001 0.000 2.412 219 D HA 0.079 4.719 4.640 -0.000 0.000 0.224 219 D C -0.147 176.154 176.300 0.002 0.000 1.093 219 D CA -0.063 53.938 54.000 0.002 0.000 0.850 219 D CB -0.066 40.736 40.800 0.003 0.000 1.046 219 D HN 0.101 nan 8.370 nan 0.000 0.507 220 D N 1.502 121.903 120.400 0.002 0.000 3.067 220 D HA -0.185 4.455 4.640 -0.000 0.000 0.216 220 D C -0.088 176.213 176.300 0.002 0.000 1.162 220 D CA 1.068 55.070 54.000 0.003 0.000 0.960 220 D CB 0.068 40.872 40.800 0.007 0.000 1.129 220 D HN 0.433 nan 8.370 nan 0.000 0.408 221 K N 0.021 120.420 120.400 -0.002 0.000 2.156 221 K HA 0.651 4.971 4.320 -0.000 0.000 0.250 221 K C 0.681 177.275 176.600 -0.010 0.000 0.955 221 K CA -0.529 55.755 56.287 -0.004 0.000 0.855 221 K CB 1.993 34.490 32.500 -0.004 0.000 1.101 221 K HN 0.054 nan 8.250 nan 0.000 0.434 222 L N 0.497 121.712 121.223 -0.013 0.000 2.260 222 L HA 0.492 4.832 4.340 -0.000 0.000 0.265 222 L C -0.317 176.544 176.870 -0.015 0.000 1.015 222 L CA -0.963 53.864 54.840 -0.021 0.000 0.826 222 L CB 1.283 43.328 42.059 -0.023 0.000 1.373 222 L HN 0.526 nan 8.230 nan 0.000 0.450 223 Q N 1.578 121.365 119.800 -0.022 0.000 2.709 223 Q HA 0.390 4.730 4.340 -0.000 0.000 0.232 223 Q C -1.966 174.042 176.000 0.013 0.000 0.856 223 Q CA -0.433 55.375 55.803 0.008 0.000 0.788 223 Q CB 1.553 30.311 28.738 0.032 0.000 1.386 223 Q HN 0.488 nan 8.270 nan 0.000 0.453 224 L N 4.768 126.008 121.223 0.029 0.000 2.292 224 L HA 0.596 4.935 4.340 -0.000 0.000 0.284 224 L C -1.307 175.635 176.870 0.119 0.000 1.065 224 L CA -0.089 54.779 54.840 0.047 0.000 0.806 224 L CB 1.065 43.147 42.059 0.038 0.000 1.175 224 L HN 0.702 nan 8.230 nan 0.000 0.431 225 I N 5.939 126.619 120.570 0.184 0.000 2.359 225 I HA 0.287 4.457 4.170 -0.000 0.000 0.284 225 I C -0.580 175.738 176.117 0.335 0.000 1.018 225 I CA -0.661 60.816 61.300 0.295 0.000 1.173 225 I CB 1.575 39.867 38.000 0.486 0.000 1.326 225 I HN 0.219 nan 8.210 nan 0.000 0.462 226 V N 5.863 125.908 119.914 0.218 0.000 2.461 226 V HA 0.575 4.695 4.120 -0.000 0.000 0.275 226 V C 0.449 176.626 176.094 0.137 0.000 1.047 226 V CA -0.214 62.191 62.300 0.174 0.000 0.955 226 V CB 1.330 33.212 31.823 0.099 0.000 0.988 226 V HN 0.815 nan 8.190 nan 0.000 0.471 227 A N 7.632 130.506 122.820 0.090 0.000 2.310 227 A HA 0.772 5.092 4.320 -0.000 0.000 0.304 227 A C -0.795 176.753 177.584 -0.061 0.000 1.231 227 A CA -0.474 51.526 52.037 -0.063 0.000 0.799 227 A CB 0.451 19.237 19.000 -0.356 0.000 1.162 227 A HN 0.592 nan 8.150 nan 0.000 0.486 228 I N 2.317 122.883 120.570 -0.007 0.000 2.378 228 I HA 0.457 4.626 4.170 -0.000 0.000 0.291 228 I C 0.993 177.182 176.117 0.120 0.000 0.992 228 I CA -0.478 60.828 61.300 0.011 0.000 1.154 228 I CB 1.056 39.008 38.000 -0.080 0.000 1.315 228 I HN 0.749 nan 8.210 nan 0.000 0.448 229 A N 4.834 127.699 122.820 0.074 0.000 2.613 229 A HA -0.088 4.232 4.320 -0.000 0.000 0.230 229 A C 0.447 178.151 177.584 0.201 0.000 1.051 229 A CA 0.349 52.444 52.037 0.097 0.000 0.754 229 A CB -0.112 18.905 19.000 0.029 0.000 0.979 229 A HN 0.750 nan 8.150 nan 0.000 0.510 230 D N 2.863 123.408 120.400 0.240 0.000 2.638 230 D HA 0.300 4.940 4.640 -0.000 0.000 0.245 230 D C -1.679 174.844 176.300 0.370 0.000 1.176 230 D CA -1.479 52.718 54.000 0.329 0.000 0.996 230 D CB 0.547 41.528 40.800 0.300 0.000 1.012 230 D HN 0.187 nan 8.370 nan 0.000 0.515 231 P HA -0.120 nan 4.420 nan 0.000 0.216 231 P C 1.386 178.842 177.300 0.260 0.000 1.150 231 P CA 1.226 64.427 63.100 0.169 0.000 0.837 231 P CB 0.088 31.794 31.700 0.011 0.000 0.786 232 T N -3.723 110.954 114.554 0.206 0.000 3.118 232 T HA 0.154 4.504 4.350 -0.000 0.000 0.260 232 T C 1.741 176.525 174.700 0.141 0.000 1.139 232 T CA 0.699 62.898 62.100 0.165 0.000 1.085 232 T CB -0.814 68.139 68.868 0.141 0.000 0.934 232 T HN -0.007 nan 8.240 nan 0.000 0.518 233 A N 0.408 123.328 122.820 0.167 0.000 2.066 233 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 233 A C 2.099 179.547 177.584 -0.227 0.000 1.157 233 A CA 0.428 52.401 52.037 -0.108 0.000 0.670 233 A CB -0.733 18.060 19.000 -0.345 0.000 0.804 233 A HN 0.738 nan 8.150 nan 0.000 0.453 234 W N -0.641 120.666 121.300 0.013 0.000 2.798 234 W HA 0.320 4.980 4.660 -0.000 0.000 0.260 234 W C 0.279 176.802 176.519 0.006 0.000 1.165 234 W CA -0.304 57.044 57.345 0.006 0.000 1.501 234 W CB -0.053 29.407 29.460 0.000 0.000 1.023 234 W HN 0.019 nan 8.180 nan 0.000 0.615 235 I N 1.168 121.895 120.570 0.260 0.000 2.581 235 I HA 0.436 4.606 4.170 -0.000 0.000 0.288 235 I C 0.188 176.366 176.117 0.102 0.000 1.047 235 I CA -0.367 61.022 61.300 0.149 0.000 1.374 235 I CB 0.931 39.003 38.000 0.120 0.000 1.423 235 I HN -0.280 nan 8.210 nan 0.000 0.549 236 A N 4.026 126.891 122.820 0.076 0.000 2.435 236 A HA 0.507 4.827 4.320 -0.000 0.000 0.304 236 A C -0.613 177.003 177.584 0.052 0.000 1.064 236 A CA -0.664 51.404 52.037 0.052 0.000 0.727 236 A CB 1.080 20.101 19.000 0.035 0.000 1.284 236 A HN 0.711 nan 8.150 nan 0.000 0.415 237 E N 0.205 120.432 120.200 0.045 0.000 2.652 237 E HA 0.307 4.657 4.350 -0.000 0.000 0.255 237 E C 1.371 177.992 176.600 0.034 0.000 0.952 237 E CA 2.314 58.741 56.400 0.045 0.000 0.947 237 E CB 0.195 29.911 29.700 0.027 0.000 0.912 237 E HN 1.561 nan 8.360 nan 0.000 0.489 238 G N 2.813 111.635 108.800 0.036 0.000 2.358 238 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.224 238 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.224 238 G C 0.569 175.480 174.900 0.018 0.000 1.073 238 G CA 0.127 45.240 45.100 0.022 0.000 0.635 238 G HN 0.832 nan 8.290 nan 0.000 0.509 239 S N 1.279 116.994 115.700 0.024 0.000 2.574 239 S HA 0.087 4.557 4.470 -0.000 0.000 0.302 239 S C 2.022 176.628 174.600 0.011 0.000 1.270 239 S CA 1.174 59.387 58.200 0.022 0.000 1.040 239 S CB 0.534 63.756 63.200 0.036 0.000 0.767 239 S HN 0.432 nan 8.310 nan 0.000 0.494 240 K N 3.577 123.980 120.400 0.004 0.000 2.000 240 K HA -0.165 4.155 4.320 -0.000 0.000 0.218 240 K C 2.029 178.618 176.600 -0.018 0.000 1.053 240 K CA 2.123 58.405 56.287 -0.008 0.000 0.946 240 K CB -0.901 31.594 32.500 -0.008 0.000 0.723 240 K HN 0.750 nan 8.250 nan 0.000 0.446 241 L N 0.825 122.041 121.223 -0.012 0.000 2.189 241 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 241 L C 2.199 179.055 176.870 -0.022 0.000 1.097 241 L CA 1.291 56.118 54.840 -0.021 0.000 0.764 241 L CB -0.534 41.522 42.059 -0.006 0.000 0.900 241 L HN 0.249 nan 8.230 nan 0.000 0.436 242 D N 0.465 120.868 120.400 0.005 0.000 2.117 242 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 242 D C 2.350 178.620 176.300 -0.051 0.000 0.982 242 D CA 1.850 55.866 54.000 0.027 0.000 0.828 242 D CB 0.209 41.051 40.800 0.070 0.000 0.967 242 D HN 0.154 nan 8.370 nan 0.000 0.464 243 K N 0.188 120.558 120.400 -0.050 0.000 2.217 243 K HA 0.284 4.604 4.320 -0.000 0.000 0.202 243 K C 2.124 178.646 176.600 -0.130 0.000 1.051 243 K CA 1.218 57.458 56.287 -0.079 0.000 0.952 243 K CB -0.908 31.568 32.500 -0.040 0.000 0.736 243 K HN 0.278 nan 8.250 nan 0.000 0.453 244 A N 0.965 123.714 122.820 -0.118 0.000 1.929 244 A HA 0.342 4.662 4.320 -0.000 0.000 0.216 244 A C 2.744 180.208 177.584 -0.200 0.000 1.176 244 A CA 1.692 53.652 52.037 -0.128 0.000 0.628 244 A CB -0.600 18.346 19.000 -0.090 0.000 0.816 244 A HN 0.784 nan 8.150 nan 0.000 0.444 245 A N -0.331 122.330 122.820 -0.264 0.000 1.969 245 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 245 A C 2.348 179.483 177.584 -0.749 0.000 1.169 245 A CA 2.371 54.181 52.037 -0.380 0.000 0.635 245 A CB -0.798 18.038 19.000 -0.274 0.000 0.810 245 A HN 0.642 nan 8.150 nan 0.000 0.445 246 K N 0.181 120.000 120.400 -0.968 0.000 2.032 246 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 246 K C 1.703 178.048 176.600 -0.424 0.000 1.048 246 K CA 1.761 57.447 56.287 -1.003 0.000 0.927 246 K CB -1.043 31.157 32.500 -0.499 0.000 0.712 246 K HN 0.422 nan 8.250 nan 0.000 0.441 247 I N 1.099 121.507 120.570 -0.269 0.000 2.142 247 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 247 I C 2.560 178.608 176.117 -0.115 0.000 1.078 247 I CA 1.569 62.785 61.300 -0.141 0.000 1.343 247 I CB -1.235 36.707 38.000 -0.096 0.000 1.046 247 I HN 0.333 nan 8.210 nan 0.000 0.405 248 R N 0.327 120.742 120.500 -0.142 0.000 2.090 248 R HA 0.031 4.371 4.340 -0.000 0.000 0.228 248 R C 1.831 178.094 176.300 -0.063 0.000 1.110 248 R CA 1.407 57.457 56.100 -0.083 0.000 0.973 248 R CB -0.239 30.006 30.300 -0.092 0.000 0.869 248 R HN 0.441 nan 8.270 nan 0.000 0.440 249 A N -0.537 122.172 122.820 -0.184 0.000 1.693 249 A HA -0.278 4.042 4.320 -0.000 0.000 0.227 249 A C 0.194 177.496 177.584 -0.471 0.000 0.457 249 A CA 1.710 53.578 52.037 -0.282 0.000 1.106 249 A CB -1.613 17.284 19.000 -0.173 0.000 1.453 249 A HN 0.281 nan 8.150 nan 0.000 0.714 250 F N -0.351 119.610 119.950 0.019 0.000 2.565 250 F HA 0.555 5.082 4.527 -0.000 0.000 0.313 250 F C 0.670 176.453 175.800 -0.028 0.000 1.091 250 F CA -0.029 57.990 58.000 0.031 0.000 0.915 250 F CB 1.821 40.857 39.000 0.059 0.000 1.208 250 F HN 0.011 nan 8.300 nan 0.000 0.453 251 T N 1.954 116.582 114.554 0.124 0.000 2.792 251 T HA -0.069 4.281 4.350 -0.000 0.000 0.286 251 T C 0.074 174.692 174.700 -0.136 0.000 0.970 251 T CA 0.187 62.222 62.100 -0.109 0.000 1.187 251 T CB -0.463 68.225 68.868 -0.299 0.000 0.915 251 T HN 0.396 nan 8.240 nan 0.000 0.529 252 N N 3.242 121.846 118.700 -0.159 0.000 2.405 252 N HA 0.086 4.826 4.740 -0.000 0.000 0.260 252 N C -1.367 174.012 175.510 -0.219 0.000 1.152 252 N CA -0.006 52.985 53.050 -0.097 0.000 0.948 252 N CB 0.006 38.475 38.487 -0.031 0.000 1.111 252 N HN 0.489 nan 8.380 nan 0.000 0.485 253 Y N 3.539 123.843 120.300 0.007 0.000 2.331 253 Y HA 0.456 5.006 4.550 -0.000 0.000 0.338 253 Y C 0.130 176.056 175.900 0.043 0.000 0.976 253 Y CA -0.656 57.450 58.100 0.010 0.000 1.137 253 Y CB 1.053 39.523 38.460 0.016 0.000 1.172 253 Y HN 0.274 nan 8.280 nan 0.000 0.478 254 L N 4.330 125.681 121.223 0.213 0.000 2.283 254 L HA 0.595 4.935 4.340 -0.000 0.000 0.259 254 L C -2.507 174.495 176.870 0.220 0.000 1.027 254 L CA -2.797 52.161 54.840 0.196 0.000 0.828 254 L CB 1.702 43.907 42.059 0.244 0.000 1.380 254 L HN 0.345 nan 8.230 nan 0.000 0.425 255 P HA 0.037 nan 4.420 nan 0.000 0.256 255 P C 0.653 178.142 177.300 0.315 0.000 1.189 255 P CA 0.943 64.126 63.100 0.138 0.000 0.808 255 P CB 0.084 31.607 31.700 -0.296 0.000 0.793 256 G N 2.234 111.176 108.800 0.237 0.000 2.166 256 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 256 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 256 G C -0.164 174.843 174.900 0.180 0.000 0.986 256 G CA -0.183 45.018 45.100 0.170 0.000 0.683 256 G HN 0.542 nan 8.290 nan 0.000 0.527 257 F N 1.574 121.530 119.950 0.010 0.000 2.722 257 F HA 0.491 5.018 4.527 -0.000 0.000 0.336 257 F C -0.910 174.875 175.800 -0.024 0.000 1.216 257 F CA -1.413 56.541 58.000 -0.077 0.000 1.065 257 F CB 1.021 39.891 39.000 -0.216 0.000 1.325 257 F HN 0.157 nan 8.300 nan 0.000 0.524 258 N N 6.513 124.848 118.700 -0.608 0.000 2.292 258 N HA 0.530 5.269 4.740 -0.000 0.000 0.303 258 N C -1.462 173.589 175.510 -0.765 0.000 1.140 258 N CA -0.658 52.044 53.050 -0.580 0.000 0.788 258 N CB 2.676 40.850 38.487 -0.522 0.000 1.361 258 N HN 0.360 nan 8.380 nan 0.000 0.489 259 I N 1.072 121.325 120.570 -0.529 0.000 2.388 259 I HA 0.329 4.499 4.170 -0.000 0.000 0.281 259 I C -2.247 173.686 176.117 -0.308 0.000 1.046 259 I CA -2.002 59.075 61.300 -0.372 0.000 1.187 259 I CB 0.028 37.913 38.000 -0.192 0.000 1.351 259 I HN 0.173 nan 8.210 nan 0.000 0.472 263 P HA 0.041 nan 4.420 nan 0.000 0.264 263 P C 0.657 177.897 177.300 -0.100 0.000 1.179 263 P CA 0.315 63.363 63.100 -0.088 0.000 0.763 263 P CB 0.610 32.262 31.700 -0.079 0.000 0.806 264 R N 2.892 123.335 120.500 -0.096 0.000 2.127 264 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 264 R C 2.160 178.395 176.300 -0.107 0.000 1.134 264 R CA 2.525 58.567 56.100 -0.097 0.000 0.975 264 R CB -2.124 28.125 30.300 -0.085 0.000 0.865 264 R HN 0.665 nan 8.270 nan 0.000 0.447 265 E N 0.722 120.857 120.200 -0.108 0.000 2.331 265 E HA 0.049 4.399 4.350 -0.000 0.000 0.199 265 E C 2.054 178.543 176.600 -0.186 0.000 1.008 265 E CA 1.266 57.592 56.400 -0.124 0.000 0.843 265 E CB -0.468 29.169 29.700 -0.104 0.000 0.761 265 E HN 0.696 nan 8.360 nan 0.000 0.507 266 L N 0.382 121.481 121.223 -0.208 0.000 2.062 266 L HA -0.082 4.258 4.340 -0.000 0.000 0.202 266 L C 3.096 179.829 176.870 -0.229 0.000 1.079 266 L CA 1.285 55.949 54.840 -0.294 0.000 0.755 266 L CB -0.364 41.535 42.059 -0.267 0.000 0.913 266 L HN 0.505 nan 8.230 nan 0.000 0.445 267 S N 0.369 115.972 115.700 -0.161 0.000 2.380 267 S HA -0.351 4.119 4.470 -0.000 0.000 0.229 267 S C 1.820 176.355 174.600 -0.108 0.000 1.050 267 S CA 2.090 60.219 58.200 -0.120 0.000 1.100 267 S CB -1.597 61.545 63.200 -0.096 0.000 0.984 267 S HN 0.554 nan 8.310 nan 0.000 0.434 268 D N 1.165 121.503 120.400 -0.103 0.000 2.183 268 D HA 0.215 4.855 4.640 -0.000 0.000 0.203 268 D C 1.607 177.852 176.300 -0.091 0.000 0.969 268 D CA 2.098 56.047 54.000 -0.085 0.000 0.842 268 D CB -1.259 39.497 40.800 -0.073 0.000 0.957 268 D HN 0.856 nan 8.370 nan 0.000 0.484 269 D N -0.679 119.649 120.400 -0.120 0.000 3.013 269 D HA 0.376 5.016 4.640 -0.000 0.000 0.235 269 D C 2.149 178.345 176.300 -0.174 0.000 1.540 269 D CA 0.380 54.308 54.000 -0.121 0.000 1.303 269 D CB -0.538 40.199 40.800 -0.104 0.000 0.980 269 D HN 0.196 nan 8.370 nan 0.000 0.250 270 L N 0.112 121.175 121.223 -0.267 0.000 2.103 270 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 270 L C 2.622 179.188 176.870 -0.506 0.000 1.080 270 L CA 1.690 56.264 54.840 -0.443 0.000 0.764 270 L CB -0.372 41.216 42.059 -0.785 0.000 0.890 270 L HN 0.521 nan 8.230 nan 0.000 0.435 271 C N -2.150 116.904 119.300 -0.409 0.000 2.558 271 C HA 0.091 4.551 4.460 -0.000 0.000 0.288 271 C C 1.828 176.749 174.990 -0.115 0.000 1.338 271 C CA -0.537 58.334 59.018 -0.244 0.000 1.760 271 C CB 0.014 27.628 27.740 -0.210 0.000 2.159 271 C HN 0.458 nan 8.230 nan 0.000 0.518 272 S N 0.987 116.616 115.700 -0.118 0.000 2.558 272 S HA 0.168 4.638 4.470 -0.000 0.000 0.291 272 S C -0.299 174.268 174.600 -0.056 0.000 1.306 272 S CA 0.278 58.432 58.200 -0.076 0.000 1.056 272 S CB 0.048 63.203 63.200 -0.075 0.000 0.836 272 S HN 0.447 nan 8.310 nan 0.000 0.504 273 L N 5.928 127.125 121.223 -0.043 0.000 2.494 273 L HA 0.387 4.727 4.340 -0.000 0.000 0.251 273 L C 1.191 178.045 176.870 -0.028 0.000 1.119 273 L CA -0.589 54.231 54.840 -0.034 0.000 1.026 273 L CB 0.088 42.124 42.059 -0.038 0.000 1.370 273 L HN 0.667 nan 8.230 nan 0.000 0.426 274 R N 1.450 121.935 120.500 -0.026 0.000 1.451 274 R HA 0.511 4.851 4.340 -0.000 0.000 0.066 274 R C 0.394 176.689 176.300 -0.008 0.000 0.461 274 R CA 0.246 56.333 56.100 -0.021 0.000 2.066 274 R CB 0.132 30.419 30.300 -0.022 0.000 0.491 274 R HN 0.557 nan 8.270 nan 0.000 0.765 275 A N -0.201 122.617 122.820 -0.003 0.000 2.319 275 A HA 0.447 4.767 4.320 -0.000 0.000 0.310 275 A C -0.021 177.569 177.584 0.009 0.000 1.152 275 A CA 0.184 52.226 52.037 0.008 0.000 0.783 275 A CB 0.483 19.488 19.000 0.008 0.000 1.184 275 A HN 0.833 nan 8.150 nan 0.000 0.474 276 N N -0.167 118.543 118.700 0.016 0.000 2.721 276 N HA 0.215 4.954 4.740 -0.000 0.000 0.249 276 N C 0.067 175.582 175.510 0.009 0.000 1.072 276 N CA 2.370 55.428 53.050 0.015 0.000 0.710 276 N CB -2.064 36.432 38.487 0.015 0.000 0.993 276 N HN 2.117 nan 8.380 nan 0.000 0.547 277 E N -0.368 119.835 120.200 0.005 0.000 2.187 277 E HA 0.704 5.054 4.350 -0.000 0.000 0.268 277 E C 0.109 176.711 176.600 0.004 0.000 0.896 277 E CA -0.009 56.394 56.400 0.004 0.000 0.766 277 E CB 1.585 31.284 29.700 -0.001 0.000 1.142 277 E HN 1.239 nan 8.360 nan 0.000 0.408 278 V N 4.173 124.092 119.914 0.008 0.000 2.521 278 V HA 0.409 4.529 4.120 -0.000 0.000 0.286 278 V C 0.281 176.388 176.094 0.021 0.000 1.034 278 V CA -0.188 62.116 62.300 0.008 0.000 1.045 278 V CB 0.346 32.175 31.823 0.011 0.000 0.974 278 V HN 0.731 nan 8.190 nan 0.000 0.480 279 R N 5.433 125.941 120.500 0.012 0.000 2.564 279 R HA 0.381 4.721 4.340 -0.000 0.000 0.284 279 R C -2.932 173.394 176.300 0.043 0.000 1.031 279 R CA -1.972 54.155 56.100 0.044 0.000 0.904 279 R CB 2.780 33.093 30.300 0.021 0.000 1.199 279 R HN 0.378 nan 8.270 nan 0.000 0.443 280 P HA 0.089 nan 4.420 nan 0.000 0.269 280 P C -0.427 176.921 177.300 0.079 0.000 1.252 280 P CA -0.014 63.134 63.100 0.079 0.000 0.780 280 P CB 0.708 32.467 31.700 0.098 0.000 0.829 281 V N 4.963 124.875 119.914 -0.004 0.000 2.769 281 V HA 0.329 4.449 4.120 -0.000 0.000 0.312 281 V C 0.063 176.125 176.094 -0.053 0.000 1.061 281 V CA -1.027 61.260 62.300 -0.023 0.000 0.931 281 V CB 2.316 34.067 31.823 -0.120 0.000 1.010 281 V HN 0.337 nan 8.190 nan 0.000 0.433 282 L N 3.838 125.070 121.223 0.015 0.000 2.264 282 L HA 0.868 5.208 4.340 -0.000 0.000 0.289 282 L C 0.153 177.004 176.870 -0.030 0.000 1.044 282 L CA 0.015 54.833 54.840 -0.036 0.000 0.807 282 L CB 0.470 42.546 42.059 0.029 0.000 1.192 282 L HN 0.842 nan 8.230 nan 0.000 0.425 283 A N 4.334 126.934 122.820 -0.368 0.000 2.309 283 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 283 A C -1.055 176.193 177.584 -0.560 0.000 1.134 283 A CA -0.416 51.374 52.037 -0.412 0.000 0.866 283 A CB 1.417 20.060 19.000 -0.596 0.000 1.329 283 A HN 0.897 nan 8.150 nan 0.000 0.477 284 C N 0.914 120.031 119.300 -0.305 0.000 2.599 284 C HA 0.645 5.105 4.460 -0.000 0.000 0.354 284 C C 0.038 174.989 174.990 -0.066 0.000 1.092 284 C CA -0.591 58.171 59.018 -0.427 0.000 1.280 284 C CB -0.066 27.329 27.740 -0.574 0.000 1.829 284 C HN 0.984 nan 8.230 nan 0.000 0.454 288 L N 1.816 123.022 121.223 -0.029 0.000 2.283 288 L HA 0.913 5.253 4.340 -0.000 0.000 0.259 288 L C 0.578 177.437 176.870 -0.018 0.000 1.027 288 L CA -0.994 53.824 54.840 -0.038 0.000 0.828 288 L CB 2.360 44.395 42.059 -0.039 0.000 1.380 288 L HN 1.077 nan 8.230 nan 0.000 0.425 289 S N -0.251 115.443 115.700 -0.009 0.000 4.163 289 S HA 0.570 5.040 4.470 -0.000 0.000 0.246 289 S C 0.754 175.368 174.600 0.023 0.000 1.069 289 S CA 0.215 58.419 58.200 0.006 0.000 1.544 289 S CB 0.724 63.928 63.200 0.008 0.000 1.166 289 S HN 0.578 nan 8.310 nan 0.000 0.747 290 A N 1.497 124.336 122.820 0.032 0.000 1.975 290 A HA 0.064 4.383 4.320 -0.000 0.000 0.215 290 A C 1.882 179.508 177.584 0.070 0.000 1.170 290 A CA 1.425 53.489 52.037 0.045 0.000 0.656 290 A CB -1.041 17.982 19.000 0.039 0.000 0.821 290 A HN 0.860 nan 8.150 nan 0.000 0.449 291 D N -1.552 118.898 120.400 0.084 0.000 2.197 291 D HA 0.242 4.882 4.640 -0.000 0.000 0.212 291 D C 1.000 177.391 176.300 0.152 0.000 0.963 291 D CA 1.038 55.122 54.000 0.139 0.000 0.864 291 D CB -0.341 40.558 40.800 0.165 0.000 1.009 291 D HN 0.912 nan 8.370 nan 0.000 0.479 292 G N 0.854 109.695 108.800 0.067 0.000 2.943 292 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.250 292 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.250 292 G C -0.403 174.380 174.900 -0.195 0.000 0.996 292 G CA -0.095 44.997 45.100 -0.013 0.000 1.248 292 G HN 0.493 nan 8.290 nan 0.000 0.589 293 T N 0.173 114.610 114.554 -0.196 0.000 2.916 293 T HA 0.719 5.069 4.350 -0.000 0.000 0.305 293 T C -0.304 174.281 174.700 -0.192 0.000 1.119 293 T CA -0.706 61.198 62.100 -0.326 0.000 1.008 293 T CB 2.080 70.794 68.868 -0.256 0.000 1.129 293 T HN 0.826 nan 8.240 nan 0.000 0.480 294 I N 0.461 120.906 120.570 -0.208 0.000 2.474 294 I HA 0.783 4.953 4.170 -0.000 0.000 0.294 294 I C 0.613 176.683 176.117 -0.077 0.000 1.005 294 I CA -0.805 60.429 61.300 -0.111 0.000 1.113 294 I CB 0.844 38.791 38.000 -0.087 0.000 1.289 294 I HN 0.919 nan 8.210 nan 0.000 0.436 295 E N 2.369 122.546 120.200 -0.040 0.000 3.317 295 E HA 0.498 4.848 4.350 -0.000 0.000 0.304 295 E C 0.900 177.500 176.600 -0.000 0.000 0.561 295 E CA 0.263 56.653 56.400 -0.018 0.000 2.041 295 E CB -0.972 28.721 29.700 -0.013 0.000 2.037 295 E HN 0.776 nan 8.360 nan 0.000 0.428 296 D N 0.229 120.632 120.400 0.004 0.000 2.636 296 D HA 0.127 4.767 4.640 -0.000 0.000 0.256 296 D C 0.553 176.857 176.300 0.007 0.000 1.280 296 D CA 0.594 54.600 54.000 0.010 0.000 0.910 296 D CB -1.241 39.562 40.800 0.006 0.000 1.045 296 D HN 0.321 nan 8.370 nan 0.000 0.472 297 N N -1.042 117.661 118.700 0.006 0.000 2.230 297 N HA 0.261 5.001 4.740 -0.000 0.000 0.202 297 N C -0.484 175.033 175.510 0.012 0.000 1.119 297 N CA -0.112 52.939 53.050 0.001 0.000 0.851 297 N CB 0.651 39.135 38.487 -0.005 0.000 0.990 297 N HN 0.525 nan 8.380 nan 0.000 0.497 298 I N 0.730 121.320 120.570 0.032 0.000 2.362 298 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 298 I C 0.165 176.337 176.117 0.091 0.000 0.994 298 I CA -0.630 60.703 61.300 0.055 0.000 1.158 298 I CB 1.403 39.459 38.000 0.092 0.000 1.315 298 I HN -0.025 nan 8.210 nan 0.000 0.451 299 E N 6.177 126.426 120.200 0.082 0.000 2.199 299 E HA 0.635 4.985 4.350 -0.000 0.000 0.269 299 E C -1.617 175.150 176.600 0.277 0.000 0.899 299 E CA -0.561 55.937 56.400 0.162 0.000 0.772 299 E CB 1.725 31.421 29.700 -0.006 0.000 1.155 299 E HN 0.416 nan 8.360 nan 0.000 0.408 300 F N 1.828 121.896 119.950 0.197 0.000 2.411 300 F HA 0.714 5.240 4.527 -0.000 0.000 0.352 300 F C -0.254 175.642 175.800 0.161 0.000 1.123 300 F CA -0.769 57.256 58.000 0.042 0.000 1.044 300 F CB 1.031 39.901 39.000 -0.217 0.000 1.135 300 F HN 0.596 nan 8.300 nan 0.000 0.461 301 F N 1.440 121.383 119.950 -0.012 0.000 2.622 301 F HA 0.776 5.303 4.527 -0.000 0.000 0.318 301 F C -0.765 175.020 175.800 -0.025 0.000 1.135 301 F CA -1.634 56.355 58.000 -0.019 0.000 1.015 301 F CB 0.141 39.124 39.000 -0.028 0.000 1.275 301 F HN 0.548 nan 8.300 nan 0.000 0.457 302 A N 2.192 125.011 122.820 -0.002 0.000 2.483 302 A HA 0.761 5.081 4.320 -0.000 0.000 0.238 302 A C 0.105 177.685 177.584 -0.006 0.000 1.070 302 A CA 0.628 52.631 52.037 -0.057 0.000 0.770 302 A CB -0.039 18.952 19.000 -0.014 0.000 1.008 302 A HN 1.999 nan 8.150 nan 0.000 0.497 303 A N 0.777 123.555 122.820 -0.070 0.000 2.765 303 A HA 0.961 5.281 4.320 -0.000 0.000 0.305 303 A C -0.307 177.247 177.584 -0.049 0.000 1.229 303 A CA 0.145 52.169 52.037 -0.021 0.000 0.653 303 A CB 0.638 19.595 19.000 -0.072 0.000 1.375 303 A HN 2.108 nan 8.150 nan 0.000 0.540 304 T N -1.089 113.430 114.554 -0.058 0.000 3.291 304 T HA 0.629 4.979 4.350 -0.000 0.000 0.344 304 T C -0.874 173.773 174.700 -0.089 0.000 1.293 304 T CA -0.258 61.806 62.100 -0.060 0.000 1.108 304 T CB 0.202 69.056 68.868 -0.024 0.000 1.231 304 T HN 1.007 nan 8.240 nan 0.000 0.474 305 I N -0.143 120.355 120.570 -0.119 0.000 3.145 305 I HA 0.865 5.034 4.170 -0.000 0.000 0.313 305 I C 0.106 176.180 176.117 -0.073 0.000 1.122 305 I CA -1.404 59.812 61.300 -0.139 0.000 0.987 305 I CB 2.048 39.849 38.000 -0.332 0.000 1.236 305 I HN 0.862 nan 8.210 nan 0.000 0.453 306 E N 2.189 122.367 120.200 -0.037 0.000 3.037 306 E HA 0.446 4.796 4.350 -0.000 0.000 0.220 306 E C -0.021 176.597 176.600 0.029 0.000 1.142 306 E CA -0.700 55.698 56.400 -0.003 0.000 0.888 306 E CB 0.540 30.245 29.700 0.007 0.000 1.329 306 E HN 0.671 nan 8.360 nan 0.000 0.409 307 S N 0.318 116.036 115.700 0.030 0.000 2.711 307 S HA -0.036 4.434 4.470 -0.000 0.000 0.320 307 S C 0.538 175.182 174.600 0.073 0.000 1.240 307 S CA 0.518 58.767 58.200 0.081 0.000 1.034 307 S CB 0.544 63.774 63.200 0.049 0.000 0.741 307 S HN 0.520 nan 8.310 nan 0.000 0.496 308 K N 1.111 121.569 120.400 0.096 0.000 2.564 308 K HA 0.532 4.852 4.320 -0.000 0.000 0.205 308 K C -0.373 176.264 176.600 0.062 0.000 1.053 308 K CA 0.273 56.602 56.287 0.069 0.000 1.072 308 K CB 1.064 33.605 32.500 0.068 0.000 0.822 308 K HN 0.850 nan 8.250 nan 0.000 0.497 309 A N 0.309 123.167 122.820 0.063 0.000 2.547 309 A HA 0.550 4.870 4.320 -0.000 0.000 0.300 309 A C -1.395 176.210 177.584 0.036 0.000 1.061 309 A CA -0.898 51.173 52.037 0.057 0.000 0.808 309 A CB 0.759 19.802 19.000 0.071 0.000 1.304 309 A HN 0.050 nan 8.150 nan 0.000 0.393 310 K N 2.267 122.678 120.400 0.018 0.000 2.281 310 K HA 0.743 5.062 4.320 -0.000 0.000 0.272 310 K C -0.909 175.656 176.600 -0.057 0.000 1.048 310 K CA -0.123 56.150 56.287 -0.023 0.000 0.898 310 K CB 0.503 32.987 32.500 -0.026 0.000 1.128 310 K HN 0.782 nan 8.250 nan 0.000 0.460 311 L N 2.167 123.323 121.223 -0.112 0.000 2.362 311 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 311 L C -0.559 176.137 176.870 -0.290 0.000 0.998 311 L CA -1.540 53.185 54.840 -0.192 0.000 0.820 311 L CB 2.307 44.284 42.059 -0.137 0.000 1.270 311 L HN 0.382 nan 8.230 nan 0.000 0.415 312 V N 3.066 122.765 119.914 -0.358 0.000 2.427 312 V HA 0.142 4.262 4.120 -0.000 0.000 0.286 312 V C 0.703 176.648 176.094 -0.248 0.000 1.034 312 V CA -0.175 61.935 62.300 -0.317 0.000 0.893 312 V CB 1.366 33.032 31.823 -0.262 0.000 0.982 312 V HN 0.640 nan 8.190 nan 0.000 0.452 313 Y N 1.913 122.129 120.300 -0.141 0.000 2.172 313 Y HA -0.348 4.202 4.550 -0.000 0.000 0.280 313 Y C 2.383 178.221 175.900 -0.105 0.000 1.209 313 Y CA 1.915 59.952 58.100 -0.105 0.000 1.171 313 Y CB 0.124 38.538 38.460 -0.078 0.000 0.965 313 Y HN 0.880 nan 8.280 nan 0.000 0.520 314 D N -0.737 119.684 120.400 0.036 0.000 2.269 314 D HA -0.126 4.514 4.640 -0.000 0.000 0.220 314 D C 1.663 177.930 176.300 -0.055 0.000 0.962 314 D CA 0.883 54.884 54.000 0.000 0.000 0.884 314 D CB -0.643 40.156 40.800 -0.001 0.000 1.023 314 D HN 0.391 nan 8.370 nan 0.000 0.484 315 Q N 0.575 120.252 119.800 -0.205 0.000 2.112 315 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 315 Q C 2.614 178.435 176.000 -0.297 0.000 0.987 315 Q CA 1.702 57.271 55.803 -0.390 0.000 0.858 315 Q CB -0.032 28.081 28.738 -1.042 0.000 0.905 315 Q HN 0.216 nan 8.270 nan 0.000 0.420 316 V N 0.071 119.804 119.914 -0.302 0.000 2.307 316 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 316 V C 2.122 178.331 176.094 0.191 0.000 1.045 316 V CA 1.906 64.181 62.300 -0.041 0.000 1.024 316 V CB -0.420 31.374 31.823 -0.047 0.000 0.651 316 V HN 0.264 nan 8.190 nan 0.000 0.449 317 S N -0.413 115.358 115.700 0.118 0.000 2.423 317 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 317 S C 1.690 176.366 174.600 0.128 0.000 1.014 317 S CA 1.045 59.316 58.200 0.118 0.000 0.965 317 S CB -0.354 62.886 63.200 0.067 0.000 0.785 317 S HN 0.592 nan 8.310 nan 0.000 0.495 318 D N 0.456 120.947 120.400 0.151 0.000 2.092 318 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 318 D C 1.430 177.873 176.300 0.237 0.000 0.994 318 D CA 0.958 55.062 54.000 0.174 0.000 0.828 318 D CB -0.291 40.627 40.800 0.198 0.000 0.963 318 D HN 0.575 nan 8.370 nan 0.000 0.450 319 W N 1.338 122.745 121.300 0.179 0.000 2.388 319 W HA -0.006 4.654 4.660 -0.000 0.000 0.294 319 W C 1.517 178.103 176.519 0.112 0.000 1.212 319 W CA 0.660 58.114 57.345 0.183 0.000 1.271 319 W CB -0.308 29.337 29.460 0.310 0.000 1.126 319 W HN -0.125 nan 8.180 nan 0.000 0.535 320 L N 1.349 122.625 121.223 0.088 0.000 2.737 320 L HA 0.062 4.402 4.340 -0.000 0.000 0.246 320 L C 1.978 178.749 176.870 -0.164 0.000 1.153 320 L CA 1.215 55.967 54.840 -0.146 0.000 0.920 320 L CB -1.076 41.027 42.059 0.073 0.000 1.090 320 L HN 0.338 nan 8.230 nan 0.000 0.430 321 E N -0.820 119.286 120.200 -0.157 0.000 2.879 321 E HA 0.334 4.684 4.350 -0.000 0.000 0.206 321 E C 0.581 177.099 176.600 -0.137 0.000 0.969 321 E CA 0.671 56.999 56.400 -0.120 0.000 1.496 321 E CB 0.285 29.956 29.700 -0.047 0.000 1.454 321 E HN 0.368 nan 8.360 nan 0.000 0.750 322 N N -1.618 117.019 118.700 -0.105 0.000 4.349 322 N HA 0.449 5.188 4.740 -0.000 0.000 0.351 322 N C -0.115 175.403 175.510 0.014 0.000 2.188 322 N CA 0.782 53.799 53.050 -0.055 0.000 2.748 322 N CB -1.162 37.285 38.487 -0.066 0.000 0.374 322 N HN 1.053 nan 8.380 nan 0.000 0.567 323 T N -1.337 113.249 114.554 0.054 0.000 2.641 323 T HA 0.914 5.264 4.350 -0.000 0.000 0.278 323 T C -0.402 174.344 174.700 0.077 0.000 1.295 323 T CA 0.933 63.077 62.100 0.073 0.000 1.102 323 T CB 0.810 69.745 68.868 0.110 0.000 1.820 323 T HN 2.353 nan 8.240 nan 0.000 0.444 324 G N 1.186 110.039 108.800 0.089 0.000 2.618 324 G HA2 0.566 4.526 3.960 -0.000 0.000 0.289 324 G HA3 0.566 4.526 3.960 -0.000 0.000 0.289 324 G C -0.637 174.324 174.900 0.102 0.000 1.493 324 G CA 0.253 45.403 45.100 0.083 0.000 1.133 324 G HN 0.688 nan 8.290 nan 0.000 0.578 325 D N 0.935 121.415 120.400 0.134 0.000 1.851 325 D HA -0.068 4.572 4.640 -0.000 0.000 0.043 325 D C -0.880 175.548 176.300 0.213 0.000 1.455 325 D CA -0.214 53.884 54.000 0.164 0.000 0.692 325 D CB -0.309 40.600 40.800 0.181 0.000 3.189 325 D HN 0.330 nan 8.370 nan 0.000 0.192 326 W N 2.923 124.264 121.300 0.068 0.000 2.512 326 W HA 0.607 5.267 4.660 -0.000 0.000 0.335 326 W C -0.770 175.785 176.519 0.060 0.000 1.088 326 W CA 0.087 57.463 57.345 0.051 0.000 1.236 326 W CB 1.141 30.629 29.460 0.046 0.000 1.307 326 W HN 0.008 nan 8.180 nan 0.000 0.567 327 Q N 5.217 124.495 119.800 -0.871 0.000 2.331 327 Q HA 0.323 4.663 4.340 -0.000 0.000 0.272 327 Q C -2.392 172.613 176.000 -1.659 0.000 1.062 327 Q CA -2.122 53.099 55.803 -0.971 0.000 0.806 327 Q CB 2.364 30.838 28.738 -0.440 0.000 1.312 327 Q HN 0.166 nan 8.270 nan 0.000 0.431 328 P HA -0.034 nan 4.420 nan 0.000 0.271 328 P C 0.181 177.136 177.300 -0.574 0.000 1.233 328 P CA 0.087 62.543 63.100 -1.074 0.000 0.764 328 P CB 0.832 32.051 31.700 -0.801 0.000 0.825 329 E N 1.910 121.883 120.200 -0.378 0.000 2.077 329 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 329 E C 0.111 176.611 176.600 -0.167 0.000 0.989 329 E CA 1.089 57.352 56.400 -0.227 0.000 0.800 329 E CB 0.177 29.797 29.700 -0.133 0.000 0.746 329 E HN 0.424 nan 8.360 nan 0.000 0.452 330 S N -0.697 114.918 115.700 -0.143 0.000 2.645 330 S HA 0.244 4.714 4.470 -0.000 0.000 0.266 330 S C 0.977 175.508 174.600 -0.115 0.000 1.258 330 S CA 0.325 58.466 58.200 -0.098 0.000 0.990 330 S CB 1.459 64.624 63.200 -0.058 0.000 0.967 330 S HN 0.452 nan 8.310 nan 0.000 0.556 331 E N -0.100 120.055 120.200 -0.073 0.000 2.447 331 E HA 0.339 4.689 4.350 -0.000 0.000 0.195 331 E C 1.781 178.352 176.600 -0.048 0.000 1.028 331 E CA 0.767 57.130 56.400 -0.062 0.000 0.876 331 E CB -0.581 29.098 29.700 -0.035 0.000 0.885 331 E HN 0.684 nan 8.360 nan 0.000 0.500 332 A N 1.230 124.030 122.820 -0.034 0.000 1.854 332 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 332 A C 2.466 180.037 177.584 -0.021 0.000 1.192 332 A CA 1.575 53.608 52.037 -0.006 0.000 0.611 332 A CB -0.504 18.510 19.000 0.023 0.000 0.832 332 A HN 0.837 nan 8.150 nan 0.000 0.442 333 I N -2.633 117.913 120.570 -0.041 0.000 2.353 333 I HA 0.055 4.225 4.170 -0.000 0.000 0.248 333 I C 2.400 178.441 176.117 -0.126 0.000 1.119 333 I CA 1.329 62.599 61.300 -0.050 0.000 1.417 333 I CB -0.508 37.480 38.000 -0.020 0.000 1.078 333 I HN 0.193 nan 8.210 nan 0.000 0.421 334 A N 1.639 124.336 122.820 -0.205 0.000 1.859 334 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 334 A C 2.455 179.938 177.584 -0.169 0.000 1.198 334 A CA 3.153 54.988 52.037 -0.337 0.000 0.629 334 A CB -1.554 17.263 19.000 -0.304 0.000 0.830 334 A HN 0.593 nan 8.150 nan 0.000 0.446 335 E N -1.269 118.890 120.200 -0.070 0.000 2.153 335 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 335 E C 1.936 178.511 176.600 -0.043 0.000 0.988 335 E CA 1.798 58.190 56.400 -0.014 0.000 0.811 335 E CB -0.679 29.006 29.700 -0.024 0.000 0.746 335 E HN 0.606 nan 8.360 nan 0.000 0.466 336 Q N -0.121 119.628 119.800 -0.085 0.000 2.291 336 Q HA 0.001 4.341 4.340 -0.000 0.000 0.205 336 Q C 2.099 178.060 176.000 -0.065 0.000 0.970 336 Q CA 1.233 56.958 55.803 -0.129 0.000 0.876 336 Q CB -0.247 28.415 28.738 -0.127 0.000 0.935 336 Q HN 0.481 nan 8.270 nan 0.000 0.455 337 V N -0.296 119.609 119.914 -0.016 0.000 2.407 337 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 337 V C 2.208 178.431 176.094 0.214 0.000 1.041 337 V CA 1.647 64.001 62.300 0.090 0.000 1.040 337 V CB -0.402 31.451 31.823 0.051 0.000 0.671 337 V HN 0.278 nan 8.190 nan 0.000 0.455 338 R N -0.114 120.549 120.500 0.271 0.000 2.105 338 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 338 R C 2.425 178.778 176.300 0.087 0.000 1.135 338 R CA 1.817 58.053 56.100 0.228 0.000 0.967 338 R CB -0.812 29.623 30.300 0.224 0.000 0.861 338 R HN 0.535 nan 8.270 nan 0.000 0.442 339 L N 0.642 121.878 121.223 0.021 0.000 1.955 339 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 339 L C 2.451 179.307 176.870 -0.023 0.000 1.072 339 L CA 2.031 56.844 54.840 -0.046 0.000 0.755 339 L CB -1.644 40.325 42.059 -0.152 0.000 0.888 339 L HN 0.198 nan 8.230 nan 0.000 0.432 340 L N -0.225 120.991 121.223 -0.013 0.000 2.265 340 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 340 L C 3.063 179.959 176.870 0.044 0.000 1.117 340 L CA 0.986 55.832 54.840 0.010 0.000 0.782 340 L CB -0.841 41.229 42.059 0.019 0.000 0.914 340 L HN 0.577 nan 8.230 nan 0.000 0.441 341 A N -0.101 122.759 122.820 0.067 0.000 1.854 341 A HA -0.200 4.120 4.320 -0.000 0.000 0.214 341 A C 2.281 179.889 177.584 0.041 0.000 1.192 341 A CA 1.247 53.325 52.037 0.068 0.000 0.611 341 A CB -0.406 18.648 19.000 0.091 0.000 0.832 341 A HN 0.427 nan 8.150 nan 0.000 0.442 342 Q N -0.320 119.499 119.800 0.031 0.000 2.050 342 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 342 Q C 2.050 178.064 176.000 0.022 0.000 0.980 342 Q CA 1.592 57.407 55.803 0.020 0.000 0.840 342 Q CB -0.449 28.296 28.738 0.012 0.000 0.898 342 Q HN 0.727 nan 8.270 nan 0.000 0.424 343 I N 0.831 121.411 120.570 0.017 0.000 2.113 343 I HA -0.419 3.751 4.170 -0.000 0.000 0.242 343 I C 2.947 179.086 176.117 0.037 0.000 1.064 343 I CA 1.463 62.775 61.300 0.020 0.000 1.320 343 I CB -0.662 37.343 38.000 0.009 0.000 1.028 343 I HN 0.485 nan 8.210 nan 0.000 0.406 344 C N 0.879 120.203 119.300 0.041 0.000 2.462 344 C HA -0.151 4.309 4.460 -0.000 0.000 0.278 344 C C 2.687 177.709 174.990 0.052 0.000 1.253 344 C CA 0.831 59.879 59.018 0.050 0.000 1.713 344 C CB -1.163 26.606 27.740 0.048 0.000 2.049 344 C HN 0.499 nan 8.230 nan 0.000 0.477 345 Q N 0.351 120.176 119.800 0.042 0.000 2.437 345 Q HA -0.027 4.313 4.340 -0.000 0.000 0.210 345 Q C 2.668 178.698 176.000 0.050 0.000 0.972 345 Q CA 1.784 57.610 55.803 0.038 0.000 0.903 345 Q CB -0.182 28.570 28.738 0.023 0.000 0.967 345 Q HN 0.885 nan 8.270 nan 0.000 0.486 346 R N 0.719 121.253 120.500 0.057 0.000 2.156 346 R HA 0.066 4.406 4.340 -0.000 0.000 0.207 346 R C 1.865 178.230 176.300 0.108 0.000 1.040 346 R CA 1.034 57.177 56.100 0.072 0.000 1.013 346 R CB -0.452 29.882 30.300 0.056 0.000 0.931 346 R HN -0.004 nan 8.270 nan 0.000 0.465 347 R N 0.701 121.264 120.500 0.104 0.000 2.148 347 R HA 0.049 4.388 4.340 -0.000 0.000 0.227 347 R C 2.420 178.842 176.300 0.204 0.000 1.103 347 R CA 1.500 57.687 56.100 0.145 0.000 0.983 347 R CB -1.208 29.156 30.300 0.107 0.000 0.874 347 R HN 0.454 nan 8.270 nan 0.000 0.451 348 G N -0.558 108.332 108.800 0.151 0.000 2.450 348 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 348 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 348 G C 1.554 176.560 174.900 0.177 0.000 1.130 348 G CA 1.088 46.276 45.100 0.146 0.000 0.760 348 G HN 0.571 nan 8.290 nan 0.000 0.557 349 E N -0.069 120.240 120.200 0.183 0.000 2.204 349 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 349 E C 1.977 178.727 176.600 0.250 0.000 0.989 349 E CA 1.174 57.694 56.400 0.198 0.000 0.824 349 E CB -0.822 28.976 29.700 0.163 0.000 0.756 349 E HN 0.714 nan 8.360 nan 0.000 0.477 350 W N 0.886 122.261 121.300 0.124 0.000 2.436 350 W HA -0.016 4.644 4.660 -0.000 0.000 0.284 350 W C 2.174 178.789 176.519 0.161 0.000 1.225 350 W CA 1.456 58.902 57.345 0.167 0.000 1.271 350 W CB 0.336 29.881 29.460 0.141 0.000 1.114 350 W HN 0.196 nan 8.180 nan 0.000 0.559 351 R N -1.508 119.053 120.500 0.101 0.000 2.173 351 R HA -0.056 4.284 4.340 -0.000 0.000 0.208 351 R C 1.879 178.127 176.300 -0.087 0.000 1.035 351 R CA 1.220 57.260 56.100 -0.100 0.000 1.004 351 R CB -0.784 29.580 30.300 0.108 0.000 0.917 351 R HN 0.204 nan 8.270 nan 0.000 0.462 352 H N 1.012 120.029 119.070 -0.087 0.000 2.462 352 H HA 0.064 4.620 4.556 -0.000 0.000 0.292 352 H C 1.045 176.266 175.328 -0.178 0.000 1.049 352 H CA 1.272 57.258 56.048 -0.102 0.000 1.334 352 H CB 0.210 29.942 29.762 -0.049 0.000 1.404 352 H HN 0.046 nan 8.280 nan 0.000 0.544 353 N N -0.884 117.586 118.700 -0.384 0.000 2.205 353 N HA 0.014 4.754 4.740 -0.000 0.000 0.201 353 N C 0.081 175.027 175.510 -0.940 0.000 1.128 353 N CA 0.280 52.966 53.050 -0.608 0.000 0.867 353 N CB 0.556 38.773 38.487 -0.450 0.000 0.996 353 N HN 0.526 nan 8.380 nan 0.000 0.503 354 H N -1.687 117.058 119.070 -0.541 0.000 3.297 354 H HA 0.530 5.086 4.556 -0.000 0.000 0.254 354 H C 0.217 175.174 175.328 -0.618 0.000 1.192 354 H CA -0.001 55.670 56.048 -0.628 0.000 1.058 354 H CB 1.232 30.455 29.762 -0.899 0.000 1.777 354 H HN 0.114 nan 8.280 nan 0.000 0.696 355 A N 0.628 123.199 122.820 -0.414 0.000 4.367 355 A HA 0.700 5.020 4.320 -0.000 0.000 0.174 355 A C -1.549 175.925 177.584 -0.183 0.000 0.690 355 A CA -0.456 51.406 52.037 -0.292 0.000 0.856 355 A CB 0.925 19.741 19.000 -0.308 0.000 1.848 355 A HN 0.062 nan 8.150 nan 0.000 0.887 356 L N 1.278 122.418 121.223 -0.137 0.000 2.446 356 L HA 0.438 4.778 4.340 -0.000 0.000 0.268 356 L C -1.056 175.769 176.870 -0.074 0.000 0.975 356 L CA -0.952 53.827 54.840 -0.103 0.000 0.848 356 L CB 1.867 43.855 42.059 -0.117 0.000 1.225 356 L HN 0.460 nan 8.230 nan 0.000 0.410 357 V N 1.479 121.386 119.914 -0.011 0.000 2.673 357 V HA 0.068 4.188 4.120 -0.000 0.000 0.303 357 V C 0.106 176.193 176.094 -0.010 0.000 1.046 357 V CA 0.188 62.509 62.300 0.036 0.000 1.126 357 V CB 0.160 32.018 31.823 0.059 0.000 0.934 357 V HN 0.392 nan 8.190 nan 0.000 0.487 358 F N 4.162 124.091 119.950 -0.035 0.000 2.375 358 F HA 0.496 5.023 4.527 -0.000 0.000 0.333 358 F C 0.821 176.597 175.800 -0.039 0.000 1.104 358 F CA -0.303 57.670 58.000 -0.045 0.000 1.149 358 F CB 1.192 40.160 39.000 -0.055 0.000 1.190 358 F HN 0.548 nan 8.300 nan 0.000 0.533 359 K N 1.324 121.857 120.400 0.221 0.000 2.756 359 K HA 0.377 4.697 4.320 -0.000 0.000 0.218 359 K C -1.379 175.373 176.600 0.254 0.000 1.057 359 K CA -0.485 55.897 56.287 0.158 0.000 1.056 359 K CB 0.633 33.152 32.500 0.033 0.000 1.235 359 K HN 0.550 nan 8.250 nan 0.000 0.547 360 D N 3.948 124.555 120.400 0.345 0.000 2.441 360 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 360 D C 0.056 176.404 176.300 0.080 0.000 1.156 360 D CA -0.690 53.477 54.000 0.278 0.000 0.896 360 D CB 0.357 41.185 40.800 0.047 0.000 1.028 360 D HN 0.257 nan 8.370 nan 0.000 0.509 361 R N 1.772 122.318 120.500 0.076 0.000 2.652 361 R HA -0.049 4.291 4.340 -0.000 0.000 0.266 361 R C -2.209 174.037 176.300 -0.089 0.000 0.866 361 R CA -0.463 55.645 56.100 0.013 0.000 1.107 361 R CB -0.390 29.944 30.300 0.057 0.000 0.884 361 R HN 0.435 nan 8.270 nan 0.000 0.421 362 P HA 0.010 nan 4.420 nan 0.000 0.268 362 P C -0.427 176.532 177.300 -0.567 0.000 1.282 362 P CA -0.277 62.621 63.100 -0.338 0.000 0.880 362 P CB 0.243 31.732 31.700 -0.352 0.000 0.971 363 D N 2.920 123.119 120.400 -0.334 0.000 2.586 363 D HA -0.123 4.517 4.640 -0.000 0.000 0.234 363 D C -0.749 175.325 176.300 -0.378 0.000 1.132 363 D CA 0.640 54.481 54.000 -0.264 0.000 0.860 363 D CB 0.105 40.820 40.800 -0.142 0.000 1.159 363 D HN 0.258 nan 8.370 nan 0.000 0.490 364 Y N 2.735 123.016 120.300 -0.031 0.000 2.310 364 Y HA 0.369 4.919 4.550 -0.000 0.000 0.326 364 Y C 1.013 176.827 175.900 -0.144 0.000 1.151 364 Y CA -0.658 57.384 58.100 -0.097 0.000 1.195 364 Y CB 1.196 39.596 38.460 -0.100 0.000 1.210 364 Y HN 0.244 nan 8.280 nan 0.000 0.483 365 R N 2.940 123.412 120.500 -0.048 0.000 2.534 365 R HA 0.446 4.785 4.340 -0.000 0.000 0.301 365 R C -1.784 174.388 176.300 -0.213 0.000 0.961 365 R CA -0.778 55.285 56.100 -0.062 0.000 0.871 365 R CB 0.826 31.123 30.300 -0.004 0.000 1.170 365 R HN 0.571 nan 8.270 nan 0.000 0.446 366 F N 4.665 124.595 119.950 -0.033 0.000 2.427 366 F HA 0.347 4.874 4.527 -0.000 0.000 0.352 366 F C 0.506 176.278 175.800 -0.048 0.000 1.100 366 F CA -0.269 57.675 58.000 -0.095 0.000 1.191 366 F CB 0.905 39.840 39.000 -0.108 0.000 1.128 366 F HN 0.266 nan 8.300 nan 0.000 0.533 367 I N 5.410 126.022 120.570 0.069 0.000 2.359 367 I HA 0.321 4.491 4.170 -0.000 0.000 0.284 367 I C -0.824 175.341 176.117 0.080 0.000 1.018 367 I CA -0.268 61.068 61.300 0.061 0.000 1.173 367 I CB 0.708 38.721 38.000 0.021 0.000 1.326 367 I HN 0.359 nan 8.210 nan 0.000 0.462 368 L N 5.145 126.429 121.223 0.101 0.000 2.334 368 L HA 0.730 5.070 4.340 -0.000 0.000 0.273 368 L C 0.800 177.721 176.870 0.085 0.000 1.013 368 L CA -0.824 54.083 54.840 0.112 0.000 0.816 368 L CB 1.553 43.696 42.059 0.140 0.000 1.278 368 L HN 0.549 nan 8.230 nan 0.000 0.431 369 G N -0.104 108.753 108.800 0.094 0.000 2.572 369 G HA2 0.191 4.151 3.960 -0.000 0.000 0.261 369 G HA3 0.191 4.151 3.960 -0.000 0.000 0.261 369 G C 0.661 175.598 174.900 0.062 0.000 1.197 369 G CA -0.342 44.801 45.100 0.073 0.000 0.870 369 G HN 0.908 nan 8.290 nan 0.000 0.548 370 E N -0.747 119.479 120.200 0.042 0.000 2.463 370 E HA -0.154 4.196 4.350 -0.000 0.000 0.201 370 E C 1.501 178.137 176.600 0.060 0.000 1.045 370 E CA 1.255 57.670 56.400 0.025 0.000 0.872 370 E CB -0.094 29.615 29.700 0.016 0.000 0.797 370 E HN 0.696 nan 8.360 nan 0.000 0.538 371 K N -0.585 119.876 120.400 0.101 0.000 2.358 371 K HA 0.320 4.640 4.320 -0.000 0.000 0.200 371 K C 1.247 178.013 176.600 0.276 0.000 1.030 371 K CA 0.279 56.663 56.287 0.161 0.000 1.097 371 K CB 0.805 33.327 32.500 0.036 0.000 0.862 371 K HN 0.144 nan 8.250 nan 0.000 0.534 372 G N 1.434 110.383 108.800 0.249 0.000 2.213 372 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.236 372 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.236 372 G C -0.244 174.894 174.900 0.397 0.000 0.991 372 G CA 0.152 45.441 45.100 0.316 0.000 0.629 372 G HN 0.463 nan 8.290 nan 0.000 0.517 373 E N 0.690 121.105 120.200 0.359 0.000 2.414 373 E HA 0.347 4.697 4.350 -0.000 0.000 0.263 373 E C 0.464 177.189 176.600 0.207 0.000 1.000 373 E CA -0.222 56.346 56.400 0.280 0.000 0.914 373 E CB 0.645 30.444 29.700 0.165 0.000 0.948 373 E HN 0.153 nan 8.360 nan 0.000 0.444 374 V N 7.000 127.036 119.914 0.205 0.000 2.470 374 V HA -0.013 4.107 4.120 -0.000 0.000 0.276 374 V C 1.144 177.338 176.094 0.166 0.000 1.040 374 V CA 0.225 62.612 62.300 0.146 0.000 1.008 374 V CB 0.816 32.713 31.823 0.124 0.000 0.990 374 V HN 0.714 nan 8.190 nan 0.000 0.477 375 L N 2.583 123.864 121.223 0.098 0.000 2.253 375 L HA 0.372 4.712 4.340 -0.000 0.000 0.205 375 L C 0.746 177.700 176.870 0.141 0.000 1.078 375 L CA 0.786 55.710 54.840 0.140 0.000 0.805 375 L CB 0.194 42.313 42.059 0.100 0.000 0.963 375 L HN 0.631 nan 8.230 nan 0.000 0.459 376 D N -1.238 119.115 120.400 -0.080 0.000 2.665 376 D HA 0.417 5.057 4.640 -0.000 0.000 0.287 376 D C -1.447 174.577 176.300 -0.459 0.000 1.266 376 D CA -0.419 53.474 54.000 -0.179 0.000 0.830 376 D CB 2.502 43.315 40.800 0.021 0.000 1.356 376 D HN -0.136 nan 8.370 nan 0.000 0.437 377 I N 2.262 122.580 120.570 -0.420 0.000 2.719 377 I HA 0.162 4.332 4.170 -0.000 0.000 0.275 377 I C 0.400 176.458 176.117 -0.100 0.000 1.228 377 I CA -0.853 60.212 61.300 -0.392 0.000 1.035 377 I CB 1.325 38.988 38.000 -0.562 0.000 1.286 377 I HN 0.136 nan 8.210 nan 0.000 0.531 378 V N 1.521 121.405 119.914 -0.051 0.000 3.083 378 V HA 0.856 4.976 4.120 -0.000 0.000 0.306 378 V C 0.502 176.641 176.094 0.076 0.000 1.077 378 V CA -0.312 62.008 62.300 0.035 0.000 1.073 378 V CB 1.585 33.418 31.823 0.016 0.000 1.081 378 V HN 0.630 nan 8.190 nan 0.000 0.474 379 A N 1.638 124.506 122.820 0.079 0.000 2.303 379 A HA 0.759 5.079 4.320 -0.000 0.000 0.320 379 A C 0.224 177.753 177.584 -0.091 0.000 1.192 379 A CA -0.022 52.001 52.037 -0.023 0.000 0.821 379 A CB 0.610 19.599 19.000 -0.018 0.000 1.188 379 A HN 1.690 nan 8.150 nan 0.000 0.492 380 E N 3.995 124.105 120.200 -0.150 0.000 2.299 380 E HA 0.479 4.829 4.350 -0.000 0.000 0.272 380 E C -2.331 174.187 176.600 -0.137 0.000 1.043 380 E CA -1.657 54.669 56.400 -0.123 0.000 0.895 380 E CB -0.570 29.052 29.700 -0.129 0.000 1.011 380 E HN 0.637 nan 8.360 nan 0.000 0.432 381 P HA 0.511 nan 4.420 nan 0.000 0.274 381 P C -0.348 176.872 177.300 -0.133 0.000 1.237 381 P CA -0.312 62.728 63.100 -0.099 0.000 0.793 381 P CB 0.883 32.543 31.700 -0.067 0.000 0.977 382 R N 2.191 122.619 120.500 -0.119 0.000 2.505 382 R HA 0.342 4.682 4.340 -0.000 0.000 0.284 382 R C 0.577 176.815 176.300 -0.103 0.000 1.324 382 R CA -0.586 55.432 56.100 -0.138 0.000 1.432 382 R CB -0.436 29.791 30.300 -0.121 0.000 1.107 382 R HN 0.517 nan 8.270 nan 0.000 0.587 383 R N 0.543 120.978 120.500 -0.108 0.000 2.568 383 R HA 0.497 4.837 4.340 -0.000 0.000 0.206 383 R C 1.277 177.544 176.300 -0.054 0.000 1.178 383 R CA -0.036 56.027 56.100 -0.063 0.000 1.040 383 R CB 0.290 30.565 30.300 -0.041 0.000 1.562 383 R HN 0.500 nan 8.270 nan 0.000 0.512 384 I N 0.331 120.890 120.570 -0.018 0.000 2.277 384 I HA -0.104 4.066 4.170 -0.000 0.000 0.243 384 I C 2.030 178.160 176.117 0.023 0.000 1.094 384 I CA 1.473 62.775 61.300 0.004 0.000 1.393 384 I CB -0.155 37.858 38.000 0.021 0.000 1.078 384 I HN 0.663 nan 8.210 nan 0.000 0.417 385 A N 1.008 123.864 122.820 0.060 0.000 1.940 385 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 385 A C 1.859 179.519 177.584 0.127 0.000 1.176 385 A CA 2.415 54.537 52.037 0.142 0.000 0.631 385 A CB -1.248 17.889 19.000 0.228 0.000 0.814 385 A HN 0.642 nan 8.150 nan 0.000 0.446 386 N N -0.269 118.349 118.700 -0.138 0.000 2.084 386 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 386 N C 1.757 177.181 175.510 -0.144 0.000 1.030 386 N CA 1.577 54.389 53.050 -0.396 0.000 0.849 386 N CB -0.284 37.893 38.487 -0.517 0.000 1.012 386 N HN 0.468 nan 8.380 nan 0.000 0.423 387 R N 0.276 120.724 120.500 -0.085 0.000 2.237 387 R HA 0.067 4.407 4.340 -0.000 0.000 0.219 387 R C 1.698 178.005 176.300 0.012 0.000 1.080 387 R CA 0.567 56.645 56.100 -0.036 0.000 0.995 387 R CB -0.225 30.060 30.300 -0.024 0.000 0.875 387 R HN 0.365 nan 8.270 nan 0.000 0.462 388 I N -0.391 120.203 120.570 0.040 0.000 2.235 388 I HA -0.206 3.964 4.170 -0.000 0.000 0.241 388 I C 2.111 178.271 176.117 0.073 0.000 1.085 388 I CA 1.031 62.370 61.300 0.066 0.000 1.378 388 I CB -0.145 37.909 38.000 0.090 0.000 1.076 388 I HN -0.050 nan 8.210 nan 0.000 0.415 389 V N 1.179 121.157 119.914 0.106 0.000 2.548 389 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 389 V C 2.921 179.049 176.094 0.055 0.000 1.055 389 V CA 2.211 64.575 62.300 0.106 0.000 1.065 389 V CB -0.989 30.962 31.823 0.212 0.000 0.681 389 V HN 0.573 nan 8.190 nan 0.000 0.462 390 E N -0.036 120.177 120.200 0.021 0.000 2.012 390 E HA -0.313 4.037 4.350 -0.000 0.000 0.197 390 E C 2.029 178.641 176.600 0.020 0.000 1.007 390 E CA 1.634 58.024 56.400 -0.016 0.000 0.816 390 E CB -0.739 28.922 29.700 -0.066 0.000 0.762 390 E HN 0.599 nan 8.360 nan 0.000 0.451 391 E N 0.497 120.719 120.200 0.036 0.000 2.055 391 E HA -0.106 4.244 4.350 -0.000 0.000 0.209 391 E C 1.637 178.282 176.600 0.076 0.000 1.036 391 E CA 0.996 57.436 56.400 0.066 0.000 0.849 391 E CB -1.223 28.517 29.700 0.067 0.000 0.767 391 E HN 0.682 nan 8.360 nan 0.000 0.461 395 A N 1.102 124.034 122.820 0.186 0.000 1.908 395 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 395 A C 2.230 179.931 177.584 0.194 0.000 1.181 395 A CA 2.510 54.641 52.037 0.157 0.000 0.627 395 A CB -0.669 18.383 19.000 0.087 0.000 0.818 395 A HN 0.500 nan 8.150 nan 0.000 0.445 396 A N -0.605 122.339 122.820 0.207 0.000 2.016 396 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 396 A C 1.867 179.779 177.584 0.547 0.000 1.162 396 A CA 1.293 53.523 52.037 0.322 0.000 0.662 396 A CB -0.401 18.726 19.000 0.211 0.000 0.812 396 A HN 0.516 nan 8.150 nan 0.000 0.450 397 N N 0.090 118.993 118.700 0.338 0.000 2.300 397 N HA -0.002 4.738 4.740 -0.000 0.000 0.179 397 N C 1.595 177.238 175.510 0.222 0.000 1.016 397 N CA 0.903 54.126 53.050 0.289 0.000 0.876 397 N CB -0.280 38.221 38.487 0.023 0.000 0.979 397 N HN 0.525 nan 8.380 nan 0.000 0.432 398 I N 0.799 121.553 120.570 0.306 0.000 2.127 398 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 398 I C 2.097 178.352 176.117 0.229 0.000 1.075 398 I CA 0.994 62.472 61.300 0.297 0.000 1.334 398 I CB -0.239 37.945 38.000 0.306 0.000 1.040 398 I HN 0.148 nan 8.210 nan 0.000 0.405 399 C N 0.621 120.086 119.300 0.275 0.000 2.403 399 C HA -0.211 4.249 4.460 -0.000 0.000 0.277 399 C C 3.136 178.233 174.990 0.178 0.000 1.248 399 C CA 0.802 59.994 59.018 0.290 0.000 1.762 399 C CB -1.547 26.449 27.740 0.426 0.000 2.014 399 C HN 0.626 nan 8.230 nan 0.000 0.486 400 A N 0.830 123.664 122.820 0.024 0.000 1.877 400 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 400 A C 2.433 179.880 177.584 -0.228 0.000 1.186 400 A CA 2.220 53.977 52.037 -0.468 0.000 0.620 400 A CB -1.073 17.566 19.000 -0.601 0.000 0.822 400 A HN 0.604 nan 8.150 nan 0.000 0.443 401 A N 0.071 122.844 122.820 -0.079 0.000 1.927 401 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 401 A C 2.236 179.976 177.584 0.260 0.000 1.185 401 A CA 1.979 54.093 52.037 0.127 0.000 0.639 401 A CB -0.491 18.644 19.000 0.224 0.000 0.820 401 A HN 0.627 nan 8.150 nan 0.000 0.451 402 R N -0.895 119.688 120.500 0.139 0.000 2.064 402 R HA -0.018 4.322 4.340 -0.000 0.000 0.228 402 R C 2.053 178.381 176.300 0.048 0.000 1.144 402 R CA 1.321 57.482 56.100 0.102 0.000 0.932 402 R CB -1.060 29.294 30.300 0.089 0.000 0.833 402 R HN 0.284 nan 8.270 nan 0.000 0.429 403 V N 2.206 122.117 119.914 -0.006 0.000 2.226 403 V HA -0.316 3.804 4.120 -0.000 0.000 0.254 403 V C 2.329 178.388 176.094 -0.060 0.000 1.065 403 V CA 2.243 64.506 62.300 -0.062 0.000 1.039 403 V CB -0.657 31.060 31.823 -0.177 0.000 0.653 403 V HN 0.298 nan 8.190 nan 0.000 0.450 404 L N -0.505 120.682 121.223 -0.060 0.000 2.362 404 L HA -0.119 4.221 4.340 -0.000 0.000 0.219 404 L C 2.602 179.508 176.870 0.059 0.000 1.134 404 L CA 1.358 56.205 54.840 0.011 0.000 0.807 404 L CB -0.753 41.336 42.059 0.051 0.000 0.927 404 L HN 0.284 nan 8.230 nan 0.000 0.447 405 R N 0.674 121.213 120.500 0.066 0.000 2.075 405 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 405 R C 1.505 177.764 176.300 -0.067 0.000 1.126 405 R CA 1.830 57.905 56.100 -0.041 0.000 0.963 405 R CB -0.105 30.182 30.300 -0.021 0.000 0.858 405 R HN 0.384 nan 8.270 nan 0.000 0.435 406 D N 0.559 120.935 120.400 -0.040 0.000 2.162 406 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 406 D C 1.757 178.018 176.300 -0.064 0.000 0.967 406 D CA 0.890 54.862 54.000 -0.047 0.000 0.840 406 D CB 0.058 40.843 40.800 -0.025 0.000 0.972 406 D HN 0.222 nan 8.370 nan 0.000 0.482 407 K N 0.342 120.704 120.400 -0.063 0.000 2.044 407 K HA 0.085 4.405 4.320 -0.000 0.000 0.204 407 K C 2.236 178.773 176.600 -0.104 0.000 1.049 407 K CA 0.557 56.805 56.287 -0.064 0.000 0.945 407 K CB 0.035 32.507 32.500 -0.047 0.000 0.724 407 K HN 0.218 nan 8.250 nan 0.000 0.440 408 L N -1.370 119.766 121.223 -0.145 0.000 2.586 408 L HA 0.259 4.599 4.340 -0.000 0.000 0.204 408 L C 1.186 177.726 176.870 -0.549 0.000 1.053 408 L CA 0.533 55.191 54.840 -0.304 0.000 0.856 408 L CB 0.052 42.041 42.059 -0.117 0.000 1.192 408 L HN 0.383 nan 8.230 nan 0.000 0.484 409 G N 0.450 109.037 108.800 -0.355 0.000 2.143 409 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 409 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 409 G C 0.041 174.727 174.900 -0.356 0.000 0.991 409 G CA -0.026 44.858 45.100 -0.360 0.000 0.689 409 G HN 0.181 nan 8.290 nan 0.000 0.522 410 F N -0.164 119.770 119.950 -0.026 0.000 2.492 410 F HA 0.713 5.239 4.527 -0.000 0.000 0.327 410 F C 0.915 176.781 175.800 0.109 0.000 1.079 410 F CA -0.268 57.739 58.000 0.013 0.000 0.967 410 F CB 2.381 41.387 39.000 0.010 0.000 1.169 410 F HN 0.382 nan 8.300 nan 0.000 0.472 411 G N 1.457 110.500 108.800 0.405 0.000 2.349 411 G HA2 0.377 4.337 3.960 -0.000 0.000 0.294 411 G HA3 0.377 4.337 3.960 -0.000 0.000 0.294 411 G C -2.152 172.960 174.900 0.353 0.000 1.380 411 G CA -0.860 44.521 45.100 0.468 0.000 0.811 411 G HN 0.320 nan 8.290 nan 0.000 0.519 412 I N 1.656 122.325 120.570 0.165 0.000 2.313 412 I HA 0.357 4.527 4.170 -0.000 0.000 0.286 412 I C -0.905 175.247 176.117 0.058 0.000 1.091 412 I CA -0.838 60.527 61.300 0.109 0.000 1.216 412 I CB -0.336 37.663 38.000 -0.002 0.000 1.434 412 I HN 0.279 nan 8.210 nan 0.000 0.487 413 Y N 3.670 124.009 120.300 0.065 0.000 2.420 413 Y HA 0.367 4.917 4.550 -0.000 0.000 0.334 413 Y C 0.950 176.919 175.900 0.115 0.000 1.094 413 Y CA -0.881 57.273 58.100 0.089 0.000 1.126 413 Y CB 1.184 39.698 38.460 0.090 0.000 1.217 413 Y HN 0.359 nan 8.280 nan 0.000 0.462 414 N N 2.317 121.189 118.700 0.287 0.000 2.437 414 N HA 0.239 4.978 4.740 -0.000 0.000 0.243 414 N C -1.173 174.402 175.510 0.110 0.000 1.041 414 N CA -0.178 52.993 53.050 0.201 0.000 0.940 414 N CB 1.417 40.043 38.487 0.232 0.000 1.133 414 N HN 0.430 nan 8.380 nan 0.000 0.506 415 V N 0.876 120.850 119.914 0.100 0.000 2.320 415 V HA 0.296 4.416 4.120 -0.000 0.000 0.265 415 V C 0.442 176.560 176.094 0.038 0.000 1.048 415 V CA -0.636 61.714 62.300 0.082 0.000 0.865 415 V CB 0.652 32.528 31.823 0.088 0.000 1.043 415 V HN 0.594 nan 8.190 nan 0.000 0.474 419 F N 2.714 122.654 119.950 -0.017 0.000 2.456 419 F HA 0.437 4.964 4.527 -0.000 0.000 0.358 419 F C 1.253 177.013 175.800 -0.068 0.000 1.095 419 F CA 0.480 58.487 58.000 0.011 0.000 1.216 419 F CB 0.452 39.484 39.000 0.054 0.000 1.125 419 F HN 0.555 nan 8.300 nan 0.000 0.549 420 D N 4.793 125.293 120.400 0.167 0.000 2.502 420 D HA 0.077 4.717 4.640 -0.000 0.000 0.249 420 D C -1.783 174.564 176.300 0.079 0.000 1.188 420 D CA -1.306 52.747 54.000 0.089 0.000 0.890 420 D CB -0.135 40.729 40.800 0.107 0.000 1.140 420 D HN 0.360 nan 8.370 nan 0.000 0.505 421 P HA -0.077 nan 4.420 nan 0.000 0.224 421 P C 1.570 178.881 177.300 0.019 0.000 1.142 421 P CA 1.431 64.545 63.100 0.023 0.000 0.778 421 P CB 0.349 32.055 31.700 0.009 0.000 0.764 422 A N 0.374 123.214 122.820 0.033 0.000 1.840 422 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 422 A C 1.947 179.549 177.584 0.031 0.000 1.198 422 A CA 1.508 53.566 52.037 0.034 0.000 0.608 422 A CB -1.383 17.647 19.000 0.049 0.000 0.839 422 A HN 0.110 nan 8.150 nan 0.000 0.443 423 N N 0.767 119.506 118.700 0.064 0.000 2.609 423 N HA 0.027 4.767 4.740 -0.000 0.000 0.190 423 N C 1.501 176.920 175.510 -0.153 0.000 1.157 423 N CA 0.895 53.975 53.050 0.050 0.000 0.918 423 N CB -0.494 38.164 38.487 0.285 0.000 0.978 423 N HN 0.502 nan 8.380 nan 0.000 0.448 424 A N 1.324 124.082 122.820 -0.104 0.000 1.881 424 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 424 A C 1.744 179.195 177.584 -0.221 0.000 1.215 424 A CA 1.892 53.839 52.037 -0.149 0.000 0.648 424 A CB -0.474 18.489 19.000 -0.063 0.000 0.832 424 A HN 0.234 nan 8.150 nan 0.000 0.455 425 D N -0.608 119.696 120.400 -0.160 0.000 2.323 425 D HA 0.169 4.809 4.640 -0.000 0.000 0.209 425 D C 2.013 178.192 176.300 -0.202 0.000 0.973 425 D CA 0.923 54.827 54.000 -0.160 0.000 0.874 425 D CB -0.131 40.613 40.800 -0.095 0.000 0.930 425 D HN 0.476 nan 8.370 nan 0.000 0.521 426 A N 0.898 123.578 122.820 -0.233 0.000 2.070 426 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 426 A C 2.028 179.269 177.584 -0.572 0.000 1.159 426 A CA 0.798 52.687 52.037 -0.247 0.000 0.656 426 A CB -0.189 18.780 19.000 -0.052 0.000 0.800 426 A HN 0.190 nan 8.150 nan 0.000 0.453 427 L N -0.950 119.782 121.223 -0.818 0.000 2.189 427 L HA 0.324 4.664 4.340 -0.000 0.000 0.199 427 L C 2.522 179.100 176.870 -0.487 0.000 1.074 427 L CA 1.887 56.129 54.840 -0.997 0.000 0.783 427 L CB -1.175 40.172 42.059 -1.187 0.000 0.955 427 L HN 0.241 nan 8.230 nan 0.000 0.460 428 A N -0.133 122.468 122.820 -0.366 0.000 2.076 428 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 428 A C 2.366 179.851 177.584 -0.166 0.000 1.160 428 A CA 1.767 53.666 52.037 -0.231 0.000 0.653 428 A CB -0.998 17.888 19.000 -0.189 0.000 0.801 428 A HN 0.592 nan 8.150 nan 0.000 0.455 429 A N -0.263 122.457 122.820 -0.166 0.000 1.872 429 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 429 A C 2.100 179.638 177.584 -0.076 0.000 1.187 429 A CA 1.539 53.513 52.037 -0.105 0.000 0.614 429 A CB -0.669 18.279 19.000 -0.086 0.000 0.826 429 A HN 0.799 nan 8.150 nan 0.000 0.442 430 L N 0.052 121.233 121.223 -0.069 0.000 1.971 430 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 430 L C 2.280 179.209 176.870 0.099 0.000 1.072 430 L CA 2.162 57.026 54.840 0.039 0.000 0.758 430 L CB -0.686 41.457 42.059 0.139 0.000 0.889 430 L HN 0.376 nan 8.230 nan 0.000 0.433 431 L N -0.091 121.185 121.223 0.088 0.000 2.127 431 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 431 L C 3.017 179.926 176.870 0.065 0.000 1.089 431 L CA 1.916 56.840 54.840 0.141 0.000 0.757 431 L CB -1.228 40.835 42.059 0.007 0.000 0.899 431 L HN 0.421 nan 8.230 nan 0.000 0.434 432 K N -0.153 120.238 120.400 -0.016 0.000 2.160 432 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 432 K C 2.003 178.570 176.600 -0.055 0.000 1.047 432 K CA 2.270 58.535 56.287 -0.037 0.000 0.930 432 K CB -1.751 30.715 32.500 -0.057 0.000 0.720 432 K HN 0.437 nan 8.250 nan 0.000 0.450 433 T N 0.307 114.790 114.554 -0.119 0.000 2.643 433 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 433 T C 1.730 176.308 174.700 -0.204 0.000 1.045 433 T CA 1.175 63.144 62.100 -0.218 0.000 1.155 433 T CB -0.391 68.246 68.868 -0.386 0.000 0.863 433 T HN 0.715 nan 8.240 nan 0.000 0.420 434 H N 0.845 119.930 119.070 0.026 0.000 2.561 434 H HA 0.186 4.742 4.556 -0.000 0.000 0.278 434 H C 1.675 177.019 175.328 0.026 0.000 1.014 434 H CA 0.786 56.858 56.048 0.039 0.000 1.211 434 H CB -0.505 29.285 29.762 0.046 0.000 1.365 434 H HN 0.578 nan 8.280 nan 0.000 0.594 435 G N 0.912 109.765 108.800 0.087 0.000 2.401 435 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.283 435 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.283 435 G C -0.749 174.195 174.900 0.073 0.000 1.117 435 G CA -0.140 44.996 45.100 0.060 0.000 1.051 435 G HN 0.241 nan 8.290 nan 0.000 0.510 436 L N 0.569 121.834 121.223 0.071 0.000 2.406 436 L HA 0.526 4.866 4.340 -0.000 0.000 0.270 436 L C 0.537 177.446 176.870 0.064 0.000 0.982 436 L CA -1.668 53.213 54.840 0.070 0.000 0.843 436 L CB 1.248 43.341 42.059 0.057 0.000 1.225 436 L HN 0.435 nan 8.230 nan 0.000 0.412 437 H N 4.132 123.196 119.070 -0.011 0.000 3.643 437 H HA 0.298 4.854 4.556 -0.000 0.000 0.219 437 H C -1.083 174.230 175.328 -0.026 0.000 1.120 437 H CA 0.442 56.480 56.048 -0.017 0.000 1.448 437 H CB -0.023 29.732 29.762 -0.012 0.000 1.639 437 H HN 0.306 nan 8.280 nan 0.000 0.574 438 V N 5.685 125.494 119.914 -0.175 0.000 2.380 438 V HA 0.037 4.156 4.120 -0.000 0.000 0.272 438 V C -0.013 175.962 176.094 -0.198 0.000 1.011 438 V CA -1.040 61.167 62.300 -0.155 0.000 0.826 438 V CB 1.075 32.828 31.823 -0.117 0.000 1.040 438 V HN 0.735 nan 8.190 nan 0.000 0.441 439 D N 3.481 123.748 120.400 -0.223 0.000 2.434 439 D HA 0.185 4.825 4.640 -0.000 0.000 0.252 439 D C 1.221 177.462 176.300 -0.099 0.000 1.185 439 D CA 0.604 54.507 54.000 -0.161 0.000 0.886 439 D CB 2.074 42.794 40.800 -0.132 0.000 1.148 439 D HN 0.569 nan 8.370 nan 0.000 0.483 440 A N 4.530 127.291 122.820 -0.098 0.000 2.019 440 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 440 A C 1.874 179.433 177.584 -0.043 0.000 1.164 440 A CA 1.625 53.610 52.037 -0.086 0.000 0.644 440 A CB -0.353 18.591 19.000 -0.093 0.000 0.805 440 A HN 0.814 nan 8.150 nan 0.000 0.449 441 E N 0.105 120.286 120.200 -0.031 0.000 1.997 441 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 441 E C 2.019 178.634 176.600 0.024 0.000 1.011 441 E CA 1.486 57.883 56.400 -0.004 0.000 0.847 441 E CB -0.436 29.260 29.700 -0.006 0.000 0.787 441 E HN 0.672 nan 8.360 nan 0.000 0.472 442 E N 0.068 120.285 120.200 0.029 0.000 2.065 442 E HA -0.259 4.091 4.350 -0.000 0.000 0.201 442 E C 2.126 178.788 176.600 0.103 0.000 1.016 442 E CA 2.182 58.619 56.400 0.062 0.000 0.818 442 E CB -0.190 29.544 29.700 0.057 0.000 0.749 442 E HN 0.260 nan 8.360 nan 0.000 0.453 443 V N 0.947 120.913 119.914 0.086 0.000 2.408 443 V HA -0.408 3.712 4.120 -0.000 0.000 0.234 443 V C 2.483 178.742 176.094 0.274 0.000 1.047 443 V CA 2.594 64.976 62.300 0.136 0.000 1.096 443 V CB -1.061 30.787 31.823 0.042 0.000 0.917 443 V HN 0.474 nan 8.190 nan 0.000 0.479 444 L N -0.072 121.285 121.223 0.223 0.000 2.017 444 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 444 L C 1.404 178.493 176.870 0.365 0.000 1.073 444 L CA 2.012 57.003 54.840 0.251 0.000 0.745 444 L CB -0.567 41.574 42.059 0.136 0.000 0.894 444 L HN 0.559 nan 8.230 nan 0.000 0.432 445 T N 0.606 115.328 114.554 0.280 0.000 2.908 445 T HA -0.021 4.329 4.350 -0.000 0.000 0.301 445 T C 1.470 176.359 174.700 0.314 0.000 1.019 445 T CA -0.083 62.178 62.100 0.267 0.000 1.152 445 T CB 0.551 69.509 68.868 0.150 0.000 0.966 445 T HN 0.186 nan 8.240 nan 0.000 0.540 446 L N 2.367 123.693 121.223 0.171 0.000 2.085 446 L HA -0.264 4.076 4.340 -0.000 0.000 0.218 446 L C 3.020 179.919 176.870 0.048 0.000 1.080 446 L CA 2.494 57.253 54.840 -0.135 0.000 0.776 446 L CB -1.272 40.508 42.059 -0.464 0.000 0.891 446 L HN 0.973 nan 8.230 nan 0.000 0.437 447 D N -0.623 119.808 120.400 0.050 0.000 2.133 447 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 447 D C 2.169 178.530 176.300 0.102 0.000 0.997 447 D CA 1.594 55.628 54.000 0.055 0.000 0.840 447 D CB -1.145 39.682 40.800 0.045 0.000 0.947 447 D HN 0.516 nan 8.370 nan 0.000 0.452 448 G N -1.181 107.711 108.800 0.154 0.000 2.414 448 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.215 448 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.215 448 G C 1.485 176.520 174.900 0.226 0.000 1.188 448 G CA 0.956 46.157 45.100 0.169 0.000 0.783 448 G HN 0.504 nan 8.290 nan 0.000 0.537 449 F N 1.380 121.452 119.950 0.204 0.000 2.043 449 F HA -0.259 4.268 4.527 -0.000 0.000 0.297 449 F C 2.720 178.597 175.800 0.129 0.000 1.118 449 F CA 2.117 60.268 58.000 0.252 0.000 1.202 449 F CB -0.307 38.937 39.000 0.406 0.000 0.965 449 F HN 0.226 nan 8.300 nan 0.000 0.482 450 C N 0.226 119.734 119.300 0.345 0.000 2.448 450 C HA 0.024 4.484 4.460 -0.000 0.000 0.280 450 C C 2.863 177.875 174.990 0.036 0.000 1.398 450 C CA 1.151 60.270 59.018 0.168 0.000 1.774 450 C CB -1.744 26.046 27.740 0.083 0.000 1.888 450 C HN 0.580 nan 8.230 nan 0.000 0.519 451 K N 0.790 121.214 120.400 0.040 0.000 2.116 451 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 451 K C 1.777 178.375 176.600 -0.002 0.000 1.052 451 K CA 1.270 57.562 56.287 0.008 0.000 0.952 451 K CB -0.781 31.734 32.500 0.024 0.000 0.729 451 K HN 0.454 nan 8.250 nan 0.000 0.446 452 L N 0.412 121.633 121.223 -0.003 0.000 2.046 452 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 452 L C 2.422 179.248 176.870 -0.073 0.000 1.077 452 L CA 1.999 56.817 54.840 -0.037 0.000 0.747 452 L CB -0.376 41.651 42.059 -0.053 0.000 0.896 452 L HN 0.318 nan 8.230 nan 0.000 0.432 453 R N 0.036 120.471 120.500 -0.107 0.000 2.096 453 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 453 R C 2.541 178.804 176.300 -0.061 0.000 1.127 453 R CA 1.890 57.923 56.100 -0.112 0.000 0.968 453 R CB -0.626 29.614 30.300 -0.101 0.000 0.861 453 R HN 0.473 nan 8.270 nan 0.000 0.440 454 R N 1.170 121.643 120.500 -0.045 0.000 2.070 454 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 454 R C 2.136 178.423 176.300 -0.023 0.000 1.138 454 R CA 1.879 57.960 56.100 -0.031 0.000 0.936 454 R CB -1.526 28.748 30.300 -0.043 0.000 0.839 454 R HN 0.564 nan 8.270 nan 0.000 0.429 455 E N 0.768 120.953 120.200 -0.024 0.000 2.171 455 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 455 E C 2.189 178.777 176.600 -0.019 0.000 0.997 455 E CA 1.427 57.817 56.400 -0.017 0.000 0.810 455 E CB -0.321 29.374 29.700 -0.009 0.000 0.738 455 E HN 0.571 nan 8.360 nan 0.000 0.467 456 L N 1.141 122.345 121.223 -0.033 0.000 2.017 456 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 456 L C 2.051 178.906 176.870 -0.025 0.000 1.073 456 L CA 1.112 55.929 54.840 -0.038 0.000 0.745 456 L CB -0.590 41.435 42.059 -0.058 0.000 0.894 456 L HN 0.026 nan 8.230 nan 0.000 0.432 457 D N 0.840 121.226 120.400 -0.022 0.000 2.172 457 D HA -0.227 4.413 4.640 -0.000 0.000 0.196 457 D C 2.057 178.355 176.300 -0.004 0.000 0.999 457 D CA 1.650 55.643 54.000 -0.011 0.000 0.856 457 D CB -0.172 40.628 40.800 0.000 0.000 0.934 457 D HN 0.354 nan 8.370 nan 0.000 0.453 458 A N -0.096 122.722 122.820 -0.003 0.000 2.248 458 A HA 0.154 4.474 4.320 -0.000 0.000 0.210 458 A C 1.412 178.998 177.584 0.003 0.000 1.174 458 A CA 1.128 53.165 52.037 0.001 0.000 0.750 458 A CB -0.945 18.055 19.000 -0.001 0.000 0.780 458 A HN 0.315 nan 8.150 nan 0.000 0.478 459 Q N 0.311 120.114 119.800 0.004 0.000 2.235 459 Q HA 0.490 4.830 4.340 -0.000 0.000 0.250 459 Q C -1.073 174.938 176.000 0.018 0.000 0.909 459 Q CA -1.506 54.305 55.803 0.013 0.000 0.910 459 Q CB -0.321 28.424 28.738 0.013 0.000 1.223 459 Q HN 0.348 nan 8.270 nan 0.000 0.432 460 P HA -0.193 nan 4.420 nan 0.000 0.219 460 P C 0.720 178.037 177.300 0.027 0.000 1.161 460 P CA 2.493 65.606 63.100 0.021 0.000 0.909 460 P CB 0.091 31.805 31.700 0.022 0.000 0.793 461 T N -5.705 108.876 114.554 0.045 0.000 2.858 461 T HA 0.627 4.977 4.350 -0.000 0.000 0.285 461 T C 0.855 175.598 174.700 0.070 0.000 1.052 461 T CA -0.223 61.913 62.100 0.060 0.000 1.009 461 T CB 1.393 70.308 68.868 0.077 0.000 1.241 461 T HN 0.009 nan 8.240 nan 0.000 0.542 462 G N -0.325 108.522 108.800 0.078 0.000 3.518 462 G HA2 0.272 4.232 3.960 -0.000 0.000 0.273 462 G HA3 0.272 4.232 3.960 -0.000 0.000 0.273 462 G C 0.473 175.416 174.900 0.071 0.000 1.199 462 G CA -0.385 44.745 45.100 0.051 0.000 0.899 462 G HN 0.587 nan 8.290 nan 0.000 0.533 463 F N 1.483 121.414 119.950 -0.032 0.000 2.074 463 F HA 0.019 4.546 4.527 -0.000 0.000 0.293 463 F C 2.667 178.422 175.800 -0.075 0.000 1.116 463 F CA 1.879 59.857 58.000 -0.038 0.000 1.212 463 F CB -0.421 38.561 39.000 -0.030 0.000 0.998 463 F HN 0.158 nan 8.300 nan 0.000 0.471 464 L N 0.315 121.343 121.223 -0.324 0.000 2.012 464 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 464 L C 2.324 178.997 176.870 -0.328 0.000 1.073 464 L CA 2.735 57.285 54.840 -0.484 0.000 0.748 464 L CB -1.890 39.981 42.059 -0.314 0.000 0.891 464 L HN 0.453 nan 8.230 nan 0.000 0.431 465 D N -0.150 120.140 120.400 -0.182 0.000 2.116 465 D HA -0.249 4.391 4.640 -0.000 0.000 0.193 465 D C 2.461 178.683 176.300 -0.130 0.000 0.998 465 D CA 2.325 56.253 54.000 -0.120 0.000 0.836 465 D CB 0.146 40.903 40.800 -0.072 0.000 0.951 465 D HN 0.720 nan 8.370 nan 0.000 0.449 466 S N 0.255 115.857 115.700 -0.164 0.000 2.368 466 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 466 S C 2.041 176.518 174.600 -0.206 0.000 1.030 466 S CA 0.534 58.648 58.200 -0.143 0.000 0.999 466 S CB -0.222 62.925 63.200 -0.089 0.000 0.844 466 S HN 0.135 nan 8.310 nan 0.000 0.459 467 R N 1.994 122.270 120.500 -0.374 0.000 2.113 467 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 467 R C 2.611 178.830 176.300 -0.136 0.000 1.129 467 R CA 1.869 57.773 56.100 -0.327 0.000 0.915 467 R CB -1.595 28.417 30.300 -0.480 0.000 0.837 467 R HN 0.805 nan 8.270 nan 0.000 0.430 468 I N -1.164 119.386 120.570 -0.034 0.000 2.399 468 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 468 I C 2.467 178.735 176.117 0.252 0.000 1.146 468 I CA 2.344 63.759 61.300 0.192 0.000 1.412 468 I CB -0.568 37.473 38.000 0.069 0.000 1.076 468 I HN -0.010 nan 8.210 nan 0.000 0.432 469 R N 1.674 122.230 120.500 0.093 0.000 2.307 469 R HA 0.172 4.511 4.340 -0.000 0.000 0.199 469 R C 2.024 178.325 176.300 0.003 0.000 1.000 469 R CA 0.992 57.147 56.100 0.091 0.000 1.023 469 R CB -1.406 28.902 30.300 0.013 0.000 0.908 469 R HN 0.592 nan 8.270 nan 0.000 0.473 470 R N -1.242 119.194 120.500 -0.107 0.000 2.323 470 R HA 0.177 4.517 4.340 -0.000 0.000 0.198 470 R C 0.720 176.859 176.300 -0.267 0.000 0.988 470 R CA 0.816 56.781 56.100 -0.225 0.000 1.041 470 R CB -0.073 30.012 30.300 -0.357 0.000 0.926 470 R HN 0.528 nan 8.270 nan 0.000 0.476 471 F N 0.808 120.796 119.950 0.064 0.000 2.678 471 F HA 0.064 4.591 4.527 -0.000 0.000 0.291 471 F C 1.306 177.258 175.800 0.254 0.000 1.123 471 F CA -0.562 57.497 58.000 0.098 0.000 1.395 471 F CB 0.538 39.521 39.000 -0.028 0.000 1.121 471 F HN -0.019 nan 8.300 nan 0.000 0.592 472 Q N 0.033 120.106 119.800 0.454 0.000 2.256 472 Q HA 0.362 4.702 4.340 -0.000 0.000 0.232 472 Q C 0.185 176.181 176.000 -0.008 0.000 0.965 472 Q CA -0.537 55.424 55.803 0.263 0.000 0.908 472 Q CB 1.606 30.398 28.738 0.090 0.000 1.209 472 Q HN 0.019 nan 8.270 nan 0.000 0.489 473 S N -0.259 115.377 115.700 -0.107 0.000 2.646 473 S HA 0.497 4.967 4.470 -0.000 0.000 0.273 473 S C -0.884 173.560 174.600 -0.260 0.000 1.168 473 S CA -0.739 57.381 58.200 -0.134 0.000 1.013 473 S CB 0.283 63.417 63.200 -0.110 0.000 1.098 473 S HN 0.436 nan 8.310 nan 0.000 0.544 474 F N 1.041 120.963 119.950 -0.046 0.000 2.450 474 F HA 0.603 5.130 4.527 -0.000 0.000 0.332 474 F C 0.809 176.609 175.800 -0.000 0.000 1.093 474 F CA -0.619 57.401 58.000 0.034 0.000 1.003 474 F CB 1.112 40.143 39.000 0.051 0.000 1.151 474 F HN 0.691 nan 8.300 nan 0.000 0.474 475 A N 3.143 126.188 122.820 0.375 0.000 2.580 475 A HA 0.232 4.552 4.320 -0.000 0.000 0.244 475 A C 0.039 177.728 177.584 0.174 0.000 1.045 475 A CA -0.032 52.176 52.037 0.284 0.000 0.761 475 A CB -0.439 18.734 19.000 0.289 0.000 0.962 475 A HN 0.825 nan 8.150 nan 0.000 0.512 476 E N 1.932 122.194 120.200 0.102 0.000 2.334 476 E HA 0.777 5.127 4.350 -0.000 0.000 0.256 476 E C -1.087 175.582 176.600 0.114 0.000 0.958 476 E CA -0.960 55.501 56.400 0.101 0.000 0.821 476 E CB 1.200 30.944 29.700 0.073 0.000 1.269 476 E HN 0.507 nan 8.360 nan 0.000 0.413 477 I N 1.214 121.857 120.570 0.123 0.000 2.465 477 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 477 I C -0.405 175.786 176.117 0.123 0.000 1.014 477 I CA -0.604 60.782 61.300 0.143 0.000 1.093 477 I CB 1.871 39.971 38.000 0.166 0.000 1.267 477 I HN 0.595 nan 8.210 nan 0.000 0.431 478 S N 1.950 117.734 115.700 0.139 0.000 2.632 478 S HA 0.437 4.907 4.470 -0.000 0.000 0.289 478 S C 0.597 175.282 174.600 0.141 0.000 1.115 478 S CA 0.091 58.361 58.200 0.117 0.000 0.889 478 S CB 1.837 65.091 63.200 0.091 0.000 1.116 478 S HN 0.755 nan 8.310 nan 0.000 0.486 479 T N -1.831 112.791 114.554 0.114 0.000 2.937 479 T HA 0.242 4.592 4.350 -0.000 0.000 0.260 479 T C 0.861 175.638 174.700 0.128 0.000 1.051 479 T CA 1.208 63.389 62.100 0.135 0.000 1.141 479 T CB -1.099 67.834 68.868 0.109 0.000 0.879 479 T HN 1.179 nan 8.240 nan 0.000 0.459 480 E N 3.033 123.270 120.200 0.062 0.000 2.392 480 E HA 0.501 4.851 4.350 -0.000 0.000 0.259 480 E C -2.610 173.887 176.600 -0.171 0.000 1.108 480 E CA -2.330 54.050 56.400 -0.033 0.000 0.916 480 E CB -0.732 28.958 29.700 -0.016 0.000 0.989 480 E HN 0.532 nan 8.360 nan 0.000 0.432 481 P HA 0.518 nan 4.420 nan 0.000 0.277 481 P C -0.051 177.151 177.300 -0.163 0.000 1.240 481 P CA 0.183 62.978 63.100 -0.507 0.000 0.798 481 P CB 1.506 32.870 31.700 -0.560 0.000 0.979 482 G N 1.399 110.174 108.800 -0.042 0.000 2.827 482 G HA2 0.704 4.664 3.960 -0.000 0.000 0.296 482 G HA3 0.704 4.664 3.960 -0.000 0.000 0.296 482 G C -3.177 171.797 174.900 0.124 0.000 1.362 482 G CA -1.371 43.765 45.100 0.059 0.000 0.809 482 G HN 0.317 nan 8.290 nan 0.000 0.522 483 P HA 0.295 nan 4.420 nan 0.000 0.296 483 P C -1.217 176.212 177.300 0.215 0.000 1.310 483 P CA -0.611 62.562 63.100 0.121 0.000 0.900 483 P CB 1.624 33.299 31.700 -0.042 0.000 1.111 484 H N 2.887 122.013 119.070 0.093 0.000 2.820 484 H HA 0.240 4.796 4.556 -0.000 0.000 0.248 484 H C 0.607 175.916 175.328 -0.031 0.000 1.714 484 H CA -0.648 55.461 56.048 0.102 0.000 1.334 484 H CB -0.820 28.984 29.762 0.070 0.000 1.693 484 H HN 0.255 nan 8.280 nan 0.000 0.548 485 F N 1.958 121.922 119.950 0.023 0.000 2.115 485 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 485 F C 2.611 178.159 175.800 -0.421 0.000 1.092 485 F CA 2.003 59.778 58.000 -0.375 0.000 1.245 485 F CB -0.433 38.155 39.000 -0.688 0.000 0.995 485 F HN 0.593 nan 8.300 nan 0.000 0.481 486 G N -1.019 107.690 108.800 -0.153 0.000 2.432 486 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 486 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 486 G C 1.465 176.210 174.900 -0.258 0.000 1.135 486 G CA 0.733 45.665 45.100 -0.281 0.000 0.767 486 G HN 0.309 nan 8.290 nan 0.000 0.550 487 L N 0.049 121.031 121.223 -0.402 0.000 2.477 487 L HA 0.388 4.728 4.340 -0.000 0.000 0.220 487 L C 1.925 178.625 176.870 -0.284 0.000 1.106 487 L CA 1.299 55.809 54.840 -0.551 0.000 0.851 487 L CB 0.046 41.411 42.059 -1.157 0.000 0.994 487 L HN 0.396 nan 8.230 nan 0.000 0.462 488 G N -1.443 107.236 108.800 -0.201 0.000 2.137 488 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.237 488 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.237 488 G C 0.073 174.894 174.900 -0.131 0.000 1.002 488 G CA 0.391 45.392 45.100 -0.165 0.000 0.702 488 G HN 0.712 nan 8.290 nan 0.000 0.515 489 L N -1.823 119.360 121.223 -0.068 0.000 2.334 489 L HA 1.018 5.358 4.340 -0.000 0.000 0.277 489 L C 1.390 178.307 176.870 0.078 0.000 1.075 489 L CA 0.884 55.768 54.840 0.073 0.000 0.804 489 L CB -0.263 41.904 42.059 0.181 0.000 1.174 489 L HN 1.175 nan 8.230 nan 0.000 0.438 490 E N 1.639 121.908 120.200 0.116 0.000 2.047 490 E HA 0.444 4.794 4.350 -0.000 0.000 0.191 490 E C 1.036 177.726 176.600 0.149 0.000 0.987 490 E CA 1.744 58.199 56.400 0.091 0.000 0.799 490 E CB -0.157 29.608 29.700 0.109 0.000 0.752 490 E HN 2.604 nan 8.360 nan 0.000 0.449 491 A N -1.615 121.355 122.820 0.250 0.000 2.520 491 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 491 A C -1.698 176.181 177.584 0.491 0.000 1.051 491 A CA -0.514 51.733 52.037 0.349 0.000 0.690 491 A CB 1.217 20.404 19.000 0.311 0.000 1.281 491 A HN 0.507 nan 8.150 nan 0.000 0.402 492 Y N 1.204 121.739 120.300 0.392 0.000 2.361 492 Y HA 0.649 5.199 4.550 -0.000 0.000 0.337 492 Y C -0.219 175.719 175.900 0.063 0.000 0.965 492 Y CA -0.550 57.718 58.100 0.280 0.000 1.091 492 Y CB 1.899 40.587 38.460 0.381 0.000 1.182 492 Y HN 1.111 nan 8.280 nan 0.000 0.450 493 A N 3.890 126.312 122.820 -0.665 0.000 2.357 493 A HA 0.584 4.904 4.320 -0.000 0.000 0.295 493 A C -0.678 176.616 177.584 -0.485 0.000 1.121 493 A CA -0.532 51.074 52.037 -0.719 0.000 0.742 493 A CB 0.396 18.866 19.000 -0.884 0.000 1.181 493 A HN 0.745 nan 8.150 nan 0.000 0.454 494 T N 0.565 114.932 114.554 -0.312 0.000 2.806 494 T HA 0.529 4.879 4.350 -0.000 0.000 0.290 494 T C 0.261 175.038 174.700 0.129 0.000 0.966 494 T CA -0.373 61.667 62.100 -0.100 0.000 1.060 494 T CB 0.541 69.403 68.868 -0.011 0.000 0.927 494 T HN 1.300 nan 8.240 nan 0.000 0.485 495 W N 1.521 122.805 121.300 -0.026 0.000 1.780 495 W HA 0.231 4.891 4.660 -0.000 0.000 0.256 495 W C 0.678 177.303 176.519 0.178 0.000 0.844 495 W CA -0.178 57.241 57.345 0.123 0.000 1.227 495 W CB -0.877 28.652 29.460 0.115 0.000 1.006 495 W HN 0.606 nan 8.180 nan 0.000 0.493 496 T N 1.940 116.294 114.554 -0.334 0.000 2.929 496 T HA -0.033 4.317 4.350 -0.000 0.000 0.271 496 T C 0.456 175.055 174.700 -0.169 0.000 1.085 496 T CA 2.065 63.941 62.100 -0.373 0.000 1.125 496 T CB -0.069 68.661 68.868 -0.230 0.000 0.874 496 T HN 0.080 nan 8.240 nan 0.000 0.494 497 S N 0.814 116.474 115.700 -0.067 0.000 2.605 497 S HA 0.266 4.736 4.470 -0.000 0.000 0.142 497 S C -2.280 172.298 174.600 -0.037 0.000 1.452 497 S CA -0.786 57.395 58.200 -0.032 0.000 1.240 497 S CB 1.719 64.930 63.200 0.017 0.000 1.538 497 S HN 0.270 nan 8.310 nan 0.000 0.394 498 P HA -0.030 nan 4.420 nan 0.000 0.222 498 P C 1.467 178.707 177.300 -0.099 0.000 1.147 498 P CA 0.453 63.433 63.100 -0.199 0.000 0.790 498 P CB 0.159 31.507 31.700 -0.587 0.000 0.780 499 I N -0.503 120.024 120.570 -0.072 0.000 2.493 499 I HA -0.136 4.034 4.170 -0.000 0.000 0.254 499 I C 1.631 177.744 176.117 -0.006 0.000 1.160 499 I CA 1.214 62.490 61.300 -0.040 0.000 1.445 499 I CB 0.132 38.107 38.000 -0.041 0.000 1.086 499 I HN -0.187 nan 8.210 nan 0.000 0.433 500 R N 0.935 121.456 120.500 0.035 0.000 2.404 500 R HA 0.310 4.650 4.340 -0.000 0.000 0.237 500 R C -0.258 176.104 176.300 0.103 0.000 0.907 500 R CA 0.112 56.269 56.100 0.096 0.000 1.063 500 R CB -0.151 30.276 30.300 0.213 0.000 1.134 500 R HN 0.282 nan 8.270 nan 0.000 0.529 501 K N 0.431 120.854 120.400 0.039 0.000 2.578 501 K HA 0.207 4.527 4.320 -0.000 0.000 0.250 501 K C -0.593 175.974 176.600 -0.054 0.000 0.955 501 K CA -0.587 55.679 56.287 -0.036 0.000 0.825 501 K CB 1.910 34.452 32.500 0.071 0.000 1.151 501 K HN -0.267 nan 8.250 nan 0.000 0.432 502 Y N 2.703 122.824 120.300 -0.297 0.000 2.200 502 Y HA -0.134 4.416 4.550 -0.000 0.000 0.290 502 Y C 1.952 177.763 175.900 -0.148 0.000 1.137 502 Y CA 2.263 60.236 58.100 -0.212 0.000 1.163 502 Y CB -0.411 37.902 38.460 -0.245 0.000 0.988 502 Y HN 0.888 nan 8.280 nan 0.000 0.518 503 G N 0.182 108.865 108.800 -0.195 0.000 2.513 503 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 503 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 503 G C 0.631 175.468 174.900 -0.105 0.000 1.160 503 G CA 1.135 46.140 45.100 -0.157 0.000 0.767 503 G HN 0.363 nan 8.290 nan 0.000 0.571 507 N N 1.091 119.769 118.700 -0.036 0.000 2.166 507 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 507 N C 1.582 177.111 175.510 0.031 0.000 1.019 507 N CA 1.805 54.854 53.050 -0.001 0.000 0.856 507 N CB -0.225 38.276 38.487 0.023 0.000 0.993 507 N HN 0.418 nan 8.380 nan 0.000 0.426 508 H N 0.610 119.660 119.070 -0.033 0.000 2.352 508 H HA 0.045 4.601 4.556 -0.000 0.000 0.299 508 H C 2.059 177.361 175.328 -0.043 0.000 1.097 508 H CA 1.457 57.500 56.048 -0.009 0.000 1.311 508 H CB 0.051 29.848 29.762 0.057 0.000 1.377 508 H HN 0.131 nan 8.280 nan 0.000 0.504 509 R N -0.307 120.237 120.500 0.073 0.000 2.115 509 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 509 R C 2.229 178.515 176.300 -0.023 0.000 1.111 509 R CA 0.883 56.992 56.100 0.014 0.000 0.976 509 R CB -0.091 30.208 30.300 -0.001 0.000 0.870 509 R HN 0.274 nan 8.270 nan 0.000 0.445 510 L N -0.203 120.997 121.223 -0.038 0.000 2.109 510 L HA -0.122 4.217 4.340 -0.000 0.000 0.207 510 L C 1.935 178.746 176.870 -0.099 0.000 1.086 510 L CA 0.413 55.227 54.840 -0.044 0.000 0.760 510 L CB -0.288 41.758 42.059 -0.022 0.000 0.910 510 L HN 0.177 nan 8.230 nan 0.000 0.437 511 L N 0.195 121.315 121.223 -0.171 0.000 2.275 511 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 511 L C 2.303 179.069 176.870 -0.173 0.000 1.119 511 L CA 1.700 56.370 54.840 -0.283 0.000 0.790 511 L CB -0.714 41.066 42.059 -0.466 0.000 0.919 511 L HN 0.154 nan 8.230 nan 0.000 0.443 512 K N -1.328 119.010 120.400 -0.103 0.000 2.167 512 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 512 K C 2.090 178.668 176.600 -0.037 0.000 1.052 512 K CA 0.947 57.201 56.287 -0.055 0.000 0.956 512 K CB -0.126 32.357 32.500 -0.029 0.000 0.735 512 K HN 0.291 nan 8.250 nan 0.000 0.451 513 A N 0.868 123.667 122.820 -0.036 0.000 1.969 513 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 513 A C 2.248 179.819 177.584 -0.022 0.000 1.169 513 A CA 1.198 53.224 52.037 -0.019 0.000 0.635 513 A CB -0.616 18.382 19.000 -0.003 0.000 0.810 513 A HN 0.045 nan 8.150 nan 0.000 0.445 514 V N 0.624 120.510 119.914 -0.046 0.000 2.219 514 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 514 V C 2.363 178.447 176.094 -0.017 0.000 1.053 514 V CA 2.415 64.687 62.300 -0.046 0.000 1.009 514 V CB -0.830 30.937 31.823 -0.094 0.000 0.636 514 V HN 0.637 nan 8.190 nan 0.000 0.445 515 I N 0.173 120.741 120.570 -0.005 0.000 2.623 515 I HA -0.228 3.942 4.170 -0.000 0.000 0.261 515 I C 2.246 178.369 176.117 0.009 0.000 1.204 515 I CA 1.843 63.156 61.300 0.021 0.000 1.444 515 I CB -0.922 37.103 38.000 0.042 0.000 1.094 515 I HN 0.435 nan 8.210 nan 0.000 0.451 516 K N 1.029 121.429 120.400 -0.001 0.000 2.629 516 K HA 0.731 5.051 4.320 -0.000 0.000 0.239 516 K C 0.901 177.499 176.600 -0.002 0.000 1.102 516 K CA 0.740 57.026 56.287 -0.002 0.000 1.019 516 K CB -0.703 31.794 32.500 -0.005 0.000 1.481 516 K HN 0.389 nan 8.250 nan 0.000 0.455 523 P HA 0.486 nan 4.420 nan 0.000 0.276 523 P C 0.228 177.463 177.300 -0.108 0.000 1.243 523 P CA 0.194 63.202 63.100 -0.153 0.000 0.768 523 P CB 1.116 32.751 31.700 -0.107 0.000 0.856 524 Q N 2.133 121.889 119.800 -0.073 0.000 2.479 524 Q HA -0.005 4.335 4.340 -0.000 0.000 0.267 524 Q C 1.008 176.999 176.000 -0.015 0.000 1.071 524 Q CA 0.607 56.383 55.803 -0.045 0.000 0.935 524 Q CB -0.188 28.534 28.738 -0.026 0.000 1.295 524 Q HN 0.569 nan 8.270 nan 0.000 0.476 525 D N 0.726 121.122 120.400 -0.007 0.000 2.116 525 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 525 D C 1.722 178.036 176.300 0.023 0.000 0.998 525 D CA 2.228 56.234 54.000 0.010 0.000 0.836 525 D CB -0.050 40.757 40.800 0.011 0.000 0.951 525 D HN 0.919 nan 8.370 nan 0.000 0.449 526 E N 0.470 120.685 120.200 0.024 0.000 2.489 526 E HA 0.084 4.433 4.350 -0.000 0.000 0.193 526 E C 1.950 178.577 176.600 0.044 0.000 1.057 526 E CA -0.106 56.313 56.400 0.033 0.000 0.866 526 E CB -0.736 28.981 29.700 0.027 0.000 0.916 526 E HN 0.299 nan 8.360 nan 0.000 0.500 527 I N 1.599 122.198 120.570 0.048 0.000 2.127 527 I HA -0.259 3.911 4.170 -0.000 0.000 0.241 527 I C 3.002 179.167 176.117 0.080 0.000 1.075 527 I CA 2.242 63.586 61.300 0.072 0.000 1.334 527 I CB -0.298 37.744 38.000 0.071 0.000 1.040 527 I HN 0.499 nan 8.210 nan 0.000 0.405 528 T N -1.317 113.279 114.554 0.071 0.000 2.833 528 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 528 T C 1.853 176.607 174.700 0.090 0.000 1.054 528 T CA 1.065 63.217 62.100 0.086 0.000 1.135 528 T CB -0.983 67.933 68.868 0.081 0.000 0.869 528 T HN 0.127 nan 8.240 nan 0.000 0.466 529 V N 1.080 121.036 119.914 0.071 0.000 2.252 529 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 529 V C 1.859 177.996 176.094 0.071 0.000 1.056 529 V CA 1.593 63.931 62.300 0.063 0.000 1.022 529 V CB -0.575 31.277 31.823 0.048 0.000 0.641 529 V HN 0.517 nan 8.190 nan 0.000 0.445 533 E N 0.960 121.218 120.200 0.097 0.000 2.031 533 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 533 E C 2.013 178.651 176.600 0.064 0.000 0.994 533 E CA 1.687 58.122 56.400 0.060 0.000 0.800 533 E CB -0.128 29.604 29.700 0.053 0.000 0.752 533 E HN 0.349 nan 8.360 nan 0.000 0.447 534 R N 0.174 120.750 120.500 0.127 0.000 2.127 534 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 534 R C 2.440 178.801 176.300 0.101 0.000 1.134 534 R CA 1.421 57.613 56.100 0.153 0.000 0.975 534 R CB -0.593 29.852 30.300 0.241 0.000 0.865 534 R HN 0.250 nan 8.270 nan 0.000 0.447 535 R N 0.488 121.009 120.500 0.036 0.000 2.115 535 R HA -0.019 4.320 4.340 -0.000 0.000 0.226 535 R C 2.295 178.484 176.300 -0.186 0.000 1.100 535 R CA 0.923 56.837 56.100 -0.311 0.000 0.980 535 R CB -0.029 29.974 30.300 -0.494 0.000 0.875 535 R HN 0.065 nan 8.270 nan 0.000 0.445 536 R N 0.484 120.922 120.500 -0.103 0.000 2.062 536 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 536 R C 2.297 178.513 176.300 -0.141 0.000 1.136 536 R CA 1.427 57.460 56.100 -0.112 0.000 0.948 536 R CB -0.288 29.959 30.300 -0.088 0.000 0.845 536 R HN 0.237 nan 8.270 nan 0.000 0.430 537 L N 0.906 122.051 121.223 -0.130 0.000 2.046 537 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 537 L C 2.011 178.733 176.870 -0.247 0.000 1.077 537 L CA 1.252 55.960 54.840 -0.220 0.000 0.747 537 L CB -0.637 41.372 42.059 -0.083 0.000 0.896 537 L HN 0.261 nan 8.230 nan 0.000 0.432 538 N N -0.231 118.396 118.700 -0.123 0.000 2.166 538 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 538 N C 1.180 176.635 175.510 -0.091 0.000 1.019 538 N CA 0.749 53.750 53.050 -0.081 0.000 0.856 538 N CB -0.181 38.275 38.487 -0.052 0.000 0.993 538 N HN 0.252 nan 8.380 nan 0.000 0.426 542 E N 0.602 120.812 120.200 0.016 0.000 2.070 542 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 542 E C 2.157 178.773 176.600 0.027 0.000 1.004 542 E CA 1.638 58.057 56.400 0.032 0.000 0.805 542 E CB -0.177 29.560 29.700 0.060 0.000 0.744 542 E HN 0.482 nan 8.360 nan 0.000 0.451 543 R N 0.222 120.750 120.500 0.046 0.000 2.083 543 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 543 R C 1.729 178.061 176.300 0.054 0.000 1.137 543 R CA 2.040 58.183 56.100 0.072 0.000 0.951 543 R CB -0.195 30.146 30.300 0.068 0.000 0.851 543 R HN 0.250 nan 8.270 nan 0.000 0.434 544 D N -0.123 120.314 120.400 0.062 0.000 2.144 544 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 544 D C 1.986 178.320 176.300 0.056 0.000 0.984 544 D CA 0.940 54.983 54.000 0.072 0.000 0.834 544 D CB -0.204 40.687 40.800 0.151 0.000 0.955 544 D HN 0.086 nan 8.370 nan 0.000 0.465 545 V N 1.170 121.047 119.914 -0.062 0.000 2.295 545 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 545 V C 2.615 178.495 176.094 -0.356 0.000 1.049 545 V CA 2.074 64.195 62.300 -0.298 0.000 1.024 545 V CB -1.122 30.381 31.823 -0.533 0.000 0.648 545 V HN 0.253 nan 8.190 nan 0.000 0.447 546 G N -0.431 108.168 108.800 -0.336 0.000 2.503 546 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 546 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 546 G C 1.299 176.112 174.900 -0.145 0.000 1.131 546 G CA 1.210 46.065 45.100 -0.408 0.000 0.756 546 G HN 0.499 nan 8.290 nan 0.000 0.572 547 D N -0.038 120.381 120.400 0.033 0.000 2.117 547 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 547 D C 2.146 178.453 176.300 0.012 0.000 0.982 547 D CA 0.660 54.709 54.000 0.081 0.000 0.828 547 D CB -0.270 40.507 40.800 -0.038 0.000 0.967 547 D HN 0.549 nan 8.370 nan 0.000 0.464 548 W N 1.419 122.611 121.300 -0.180 0.000 2.333 548 W HA -0.097 4.563 4.660 -0.000 0.000 0.316 548 W C 2.532 178.930 176.519 -0.201 0.000 1.215 548 W CA 0.583 57.796 57.345 -0.221 0.000 1.278 548 W CB -0.621 28.609 29.460 -0.383 0.000 1.154 548 W HN -0.046 nan 8.180 nan 0.000 0.486 549 L N -1.561 119.615 121.223 -0.079 0.000 2.093 549 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 549 L C 2.137 179.072 176.870 0.107 0.000 1.085 549 L CA 1.326 56.072 54.840 -0.157 0.000 0.755 549 L CB -1.223 40.472 42.059 -0.606 0.000 0.904 549 L HN 0.116 nan 8.230 nan 0.000 0.435 550 Y N 0.147 120.560 120.300 0.187 0.000 2.165 550 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 550 Y C 2.744 178.743 175.900 0.165 0.000 1.155 550 Y CA 0.735 58.976 58.100 0.235 0.000 1.164 550 Y CB -0.258 38.291 38.460 0.149 0.000 0.978 550 Y HN 0.184 nan 8.280 nan 0.000 0.513 551 A N 0.458 123.425 122.820 0.245 0.000 1.877 551 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 551 A C 2.145 179.823 177.584 0.157 0.000 1.186 551 A CA 1.666 53.786 52.037 0.138 0.000 0.620 551 A CB -0.619 18.412 19.000 0.050 0.000 0.822 551 A HN 0.383 nan 8.150 nan 0.000 0.443 552 R N -1.953 118.660 120.500 0.188 0.000 2.083 552 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 552 R C 2.020 178.477 176.300 0.261 0.000 1.137 552 R CA 1.738 57.959 56.100 0.202 0.000 0.951 552 R CB -0.574 29.839 30.300 0.189 0.000 0.851 552 R HN 0.556 nan 8.270 nan 0.000 0.434 553 F N 1.255 121.290 119.950 0.141 0.000 2.095 553 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 553 F C 1.803 177.680 175.800 0.128 0.000 1.104 553 F CA 1.503 59.594 58.000 0.152 0.000 1.232 553 F CB -0.218 38.904 39.000 0.203 0.000 0.987 553 F HN -0.078 nan 8.300 nan 0.000 0.475 554 L N -0.407 120.874 121.223 0.097 0.000 2.509 554 L HA -0.049 4.291 4.340 -0.000 0.000 0.222 554 L C 2.209 179.059 176.870 -0.033 0.000 1.123 554 L CA 0.322 55.120 54.840 -0.069 0.000 0.856 554 L CB -0.551 41.472 42.059 -0.060 0.000 0.985 554 L HN 0.021 nan 8.230 nan 0.000 0.456 555 K N 1.701 122.115 120.400 0.024 0.000 2.052 555 K HA -0.273 4.047 4.320 -0.000 0.000 0.215 555 K C 1.649 178.255 176.600 0.010 0.000 1.053 555 K CA 2.370 58.674 56.287 0.027 0.000 0.934 555 K CB -0.478 32.056 32.500 0.058 0.000 0.717 555 K HN 0.464 nan 8.250 nan 0.000 0.450 556 D N -0.887 119.513 120.400 -0.000 0.000 2.378 556 D HA -0.128 4.512 4.640 -0.000 0.000 0.222 556 D C 1.083 177.377 176.300 -0.009 0.000 0.980 556 D CA 0.848 54.846 54.000 -0.003 0.000 0.907 556 D CB -0.016 40.780 40.800 -0.007 0.000 0.899 556 D HN 0.083 nan 8.370 nan 0.000 0.527 557 K N 0.297 120.690 120.400 -0.011 0.000 2.379 557 K HA 0.348 4.668 4.320 -0.000 0.000 0.194 557 K C 0.370 176.988 176.600 0.030 0.000 1.031 557 K CA 0.158 56.459 56.287 0.024 0.000 1.037 557 K CB 0.258 32.801 32.500 0.072 0.000 0.824 557 K HN 0.213 nan 8.250 nan 0.000 0.516 558 A N 0.037 122.863 122.820 0.010 0.000 2.492 558 A HA 0.458 4.778 4.320 -0.000 0.000 0.254 558 A C 1.296 178.882 177.584 0.003 0.000 1.091 558 A CA 0.678 52.718 52.037 0.005 0.000 0.768 558 A CB -0.561 18.441 19.000 0.004 0.000 1.028 558 A HN 0.501 nan 8.150 nan 0.000 0.498 559 G N 1.832 110.628 108.800 -0.006 0.000 2.304 559 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 559 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 559 G C 0.880 175.772 174.900 -0.014 0.000 1.014 559 G CA 1.330 46.421 45.100 -0.015 0.000 0.619 559 G HN 2.107 nan 8.290 nan 0.000 0.525 560 T N -0.731 113.822 114.554 -0.002 0.000 2.698 560 T HA 0.442 4.792 4.350 -0.000 0.000 0.295 560 T C 1.181 175.877 174.700 -0.007 0.000 1.007 560 T CA 0.864 62.962 62.100 -0.004 0.000 0.980 560 T CB 1.127 69.995 68.868 -0.000 0.000 1.036 560 T HN 0.473 nan 8.240 nan 0.000 0.526 561 D N -1.239 119.149 120.400 -0.020 0.000 2.349 561 D HA 0.047 4.687 4.640 -0.000 0.000 0.214 561 D C 0.218 176.489 176.300 -0.049 0.000 1.063 561 D CA -0.262 53.720 54.000 -0.030 0.000 0.847 561 D CB -0.951 39.828 40.800 -0.036 0.000 0.933 561 D HN 0.530 nan 8.370 nan 0.000 0.513 562 T N 1.682 116.200 114.554 -0.059 0.000 2.849 562 T HA 0.021 4.371 4.350 -0.000 0.000 0.289 562 T C 0.572 175.171 174.700 -0.169 0.000 1.010 562 T CA 0.190 62.190 62.100 -0.165 0.000 1.161 562 T CB 0.628 69.387 68.868 -0.181 0.000 0.989 562 T HN 0.102 nan 8.240 nan 0.000 0.523 563 R N 1.592 121.934 120.500 -0.263 0.000 2.573 563 R HA 0.654 4.994 4.340 -0.000 0.000 0.272 563 R C -0.905 175.168 176.300 -0.379 0.000 1.009 563 R CA -0.563 55.439 56.100 -0.164 0.000 1.059 563 R CB 0.947 31.189 30.300 -0.095 0.000 1.112 563 R HN 0.486 nan 8.270 nan 0.000 0.517 564 F N 0.032 119.967 119.950 -0.025 0.000 2.588 564 F HA 0.378 4.905 4.527 -0.000 0.000 0.314 564 F C -0.011 175.780 175.800 -0.016 0.000 1.134 564 F CA -0.954 57.034 58.000 -0.020 0.000 0.961 564 F CB 1.784 40.764 39.000 -0.033 0.000 1.239 564 F HN 0.544 nan 8.300 nan 0.000 0.448 565 A N 2.122 125.034 122.820 0.153 0.000 2.462 565 A HA 0.724 5.044 4.320 -0.000 0.000 0.243 565 A C -0.293 177.354 177.584 0.104 0.000 1.076 565 A CA 0.262 52.361 52.037 0.103 0.000 0.773 565 A CB 0.024 19.070 19.000 0.078 0.000 1.010 565 A HN 1.128 nan 8.150 nan 0.000 0.493 566 A N 2.075 124.934 122.820 0.065 0.000 2.427 566 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 566 A C -0.419 177.182 177.584 0.029 0.000 1.036 566 A CA -0.469 51.585 52.037 0.029 0.000 0.701 566 A CB 0.861 19.860 19.000 -0.002 0.000 1.250 566 A HN 0.943 nan 8.150 nan 0.000 0.412 567 E N 2.855 123.073 120.200 0.030 0.000 2.249 567 E HA 0.496 4.846 4.350 -0.000 0.000 0.280 567 E C -0.955 175.660 176.600 0.026 0.000 1.016 567 E CA -0.517 55.907 56.400 0.040 0.000 0.830 567 E CB 0.667 30.401 29.700 0.056 0.000 1.081 567 E HN 0.571 nan 8.360 nan 0.000 0.395 568 I N 5.688 126.278 120.570 0.033 0.000 2.379 568 I HA -0.001 4.169 4.170 -0.000 0.000 0.290 568 I C 1.265 177.411 176.117 0.048 0.000 1.063 568 I CA -0.316 60.997 61.300 0.021 0.000 1.351 568 I CB 1.066 39.079 38.000 0.021 0.000 1.410 568 I HN 0.572 nan 8.210 nan 0.000 0.505 569 V N 1.329 121.267 119.914 0.040 0.000 2.795 569 V HA 0.269 4.389 4.120 -0.000 0.000 0.243 569 V C 0.499 176.629 176.094 0.059 0.000 1.069 569 V CA 0.726 63.058 62.300 0.053 0.000 1.089 569 V CB 0.270 32.121 31.823 0.047 0.000 0.756 569 V HN 0.792 nan 8.190 nan 0.000 0.471 570 D N -0.370 120.065 120.400 0.058 0.000 2.947 570 D HA 0.413 5.053 4.640 -0.000 0.000 0.224 570 D C -1.451 174.889 176.300 0.067 0.000 1.230 570 D CA -0.478 53.560 54.000 0.064 0.000 0.871 570 D CB 2.762 43.599 40.800 0.061 0.000 1.671 570 D HN 0.252 nan 8.370 nan 0.000 0.507 571 I N 2.731 123.343 120.570 0.071 0.000 2.321 571 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 571 I C 0.772 176.932 176.117 0.071 0.000 0.998 571 I CA -0.365 60.975 61.300 0.067 0.000 1.227 571 I CB 1.536 39.579 38.000 0.072 0.000 1.368 571 I HN 0.259 nan 8.210 nan 0.000 0.466 572 S N 4.660 120.413 115.700 0.088 0.000 2.766 572 S HA 0.611 5.081 4.470 -0.000 0.000 0.307 572 S C 1.107 175.748 174.600 0.069 0.000 1.121 572 S CA -0.498 57.752 58.200 0.082 0.000 0.980 572 S CB 1.614 64.881 63.200 0.112 0.000 1.159 572 S HN 0.672 nan 8.310 nan 0.000 0.546 573 R N 0.311 120.841 120.500 0.049 0.000 2.092 573 R HA 0.238 4.578 4.340 -0.000 0.000 0.231 573 R C 1.882 178.208 176.300 0.044 0.000 1.119 573 R CA 1.545 57.664 56.100 0.033 0.000 0.970 573 R CB -1.785 28.520 30.300 0.008 0.000 0.864 573 R HN 1.002 nan 8.270 nan 0.000 0.440 574 G N -0.904 107.944 108.800 0.080 0.000 3.314 574 G HA2 0.474 4.434 3.960 -0.000 0.000 0.238 574 G HA3 0.474 4.434 3.960 -0.000 0.000 0.238 574 G C 0.600 175.597 174.900 0.162 0.000 1.184 574 G CA 0.648 45.816 45.100 0.113 0.000 0.806 574 G HN 1.255 nan 8.290 nan 0.000 0.536 578 V N -0.444 119.457 119.914 -0.022 0.000 2.864 578 V HA 0.737 4.857 4.120 -0.000 0.000 0.314 578 V C -0.618 175.441 176.094 -0.060 0.000 1.073 578 V CA -1.000 61.275 62.300 -0.042 0.000 0.956 578 V CB 2.082 33.865 31.823 -0.066 0.000 1.023 578 V HN 0.764 nan 8.190 nan 0.000 0.435 579 R N 3.124 123.590 120.500 -0.057 0.000 2.387 579 R HA 0.629 4.969 4.340 -0.000 0.000 0.314 579 R C -1.086 175.148 176.300 -0.111 0.000 0.958 579 R CA -0.833 55.205 56.100 -0.103 0.000 0.846 579 R CB 1.496 31.770 30.300 -0.044 0.000 1.147 579 R HN 0.924 nan 8.270 nan 0.000 0.447 580 L N 5.417 126.519 121.223 -0.202 0.000 2.418 580 L HA 0.070 4.409 4.340 -0.000 0.000 0.274 580 L C 1.727 178.542 176.870 -0.091 0.000 1.135 580 L CA -0.506 54.248 54.840 -0.143 0.000 0.870 580 L CB 1.127 43.040 42.059 -0.243 0.000 1.154 580 L HN 0.597 nan 8.230 nan 0.000 0.462 581 V N 2.521 122.456 119.914 0.036 0.000 2.282 581 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 581 V C 1.726 177.926 176.094 0.176 0.000 1.057 581 V CA 2.303 64.675 62.300 0.120 0.000 1.032 581 V CB -0.451 31.444 31.823 0.121 0.000 0.645 581 V HN 0.861 nan 8.190 nan 0.000 0.447 582 D N -0.051 120.443 120.400 0.155 0.000 2.309 582 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 582 D C 1.511 177.906 176.300 0.159 0.000 0.968 582 D CA 1.341 55.458 54.000 0.194 0.000 0.882 582 D CB -0.042 40.885 40.800 0.212 0.000 0.918 582 D HN 0.794 nan 8.370 nan 0.000 0.503 583 N N -3.111 115.529 118.700 -0.099 0.000 2.104 583 N HA 0.123 4.863 4.740 -0.000 0.000 0.227 583 N C 1.297 176.244 175.510 -0.939 0.000 1.321 583 N CA 0.537 53.438 53.050 -0.249 0.000 0.877 583 N CB 0.391 38.923 38.487 0.076 0.000 1.117 583 N HN 0.006 nan 8.380 nan 0.000 0.486 584 G N -0.141 107.894 108.800 -1.275 0.000 2.199 584 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.254 584 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.254 584 G C 0.436 174.850 174.900 -0.811 0.000 0.982 584 G CA 0.238 44.600 45.100 -1.229 0.000 0.632 584 G HN 0.865 nan 8.290 nan 0.000 0.529 585 A N 0.592 122.721 122.820 -1.152 0.000 2.507 585 A HA 0.509 4.829 4.320 -0.000 0.000 0.235 585 A C 0.640 177.877 177.584 -0.579 0.000 1.070 585 A CA 0.577 51.830 52.037 -1.307 0.000 0.768 585 A CB 0.181 18.582 19.000 -0.999 0.000 1.011 585 A HN 0.743 nan 8.150 nan 0.000 0.502 586 I N 0.880 121.214 120.570 -0.393 0.000 2.377 586 I HA 0.575 4.745 4.170 -0.000 0.000 0.293 586 I C 0.502 176.536 176.117 -0.139 0.000 0.987 586 I CA 0.050 61.240 61.300 -0.184 0.000 1.185 586 I CB 1.029 38.976 38.000 -0.087 0.000 1.341 586 I HN 0.755 nan 8.210 nan 0.000 0.455 587 A N 5.916 128.683 122.820 -0.089 0.000 2.469 587 A HA 0.765 5.085 4.320 -0.000 0.000 0.299 587 A C -1.485 176.138 177.584 0.064 0.000 1.098 587 A CA -0.480 51.534 52.037 -0.039 0.000 0.737 587 A CB 1.931 20.872 19.000 -0.097 0.000 1.312 587 A HN 0.502 nan 8.150 nan 0.000 0.414 588 F N 1.129 121.040 119.950 -0.065 0.000 2.450 588 F HA 0.738 5.265 4.527 -0.000 0.000 0.332 588 F C -0.552 175.236 175.800 -0.019 0.000 1.093 588 F CA -1.218 56.753 58.000 -0.048 0.000 1.003 588 F CB 1.179 40.149 39.000 -0.050 0.000 1.151 588 F HN 0.374 nan 8.300 nan 0.000 0.474 589 I N 7.377 127.486 120.570 -0.769 0.000 2.437 589 I HA 0.279 4.449 4.170 -0.000 0.000 0.279 589 I C -2.435 173.102 176.117 -0.967 0.000 1.028 589 I CA -2.073 58.881 61.300 -0.576 0.000 1.142 589 I CB 1.456 39.265 38.000 -0.318 0.000 1.266 589 I HN 0.391 nan 8.210 nan 0.000 0.461 590 P HA 0.054 nan 4.420 nan 0.000 0.268 590 P C 0.698 177.776 177.300 -0.370 0.000 1.205 590 P CA -0.003 62.735 63.100 -0.604 0.000 0.771 590 P CB 1.029 32.444 31.700 -0.476 0.000 0.858 591 A N 5.590 128.276 122.820 -0.222 0.000 1.986 591 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 591 A C -0.552 176.991 177.584 -0.069 0.000 1.171 591 A CA 1.821 53.795 52.037 -0.106 0.000 0.640 591 A CB -2.348 16.627 19.000 -0.042 0.000 0.811 591 A HN 0.495 nan 8.150 nan 0.000 0.451 592 P HA -0.019 nan 4.420 nan 0.000 0.233 592 P C 0.837 178.174 177.300 0.061 0.000 1.167 592 P CA 0.649 63.703 63.100 -0.077 0.000 0.770 592 P CB -0.190 31.424 31.700 -0.143 0.000 0.837 593 F N -1.255 118.669 119.950 -0.043 0.000 2.710 593 F HA 0.084 4.611 4.527 -0.000 0.000 0.298 593 F C 1.781 177.567 175.800 -0.024 0.000 1.137 593 F CA 0.016 57.987 58.000 -0.047 0.000 1.444 593 F CB -0.191 38.759 39.000 -0.083 0.000 1.111 593 F HN -0.166 nan 8.300 nan 0.000 0.580 594 L N -1.382 119.937 121.223 0.159 0.000 2.354 594 L HA 0.080 4.420 4.340 -0.000 0.000 0.212 594 L C -0.170 176.859 176.870 0.266 0.000 1.091 594 L CA 0.551 55.489 54.840 0.164 0.000 0.828 594 L CB -0.083 42.035 42.059 0.098 0.000 0.973 594 L HN 0.095 nan 8.230 nan 0.000 0.461 595 H N -2.101 117.020 119.070 0.085 0.000 3.123 595 H HA 0.425 4.981 4.556 -0.000 0.000 0.346 595 H C 0.034 175.394 175.328 0.054 0.000 1.138 595 H CA -0.320 55.769 56.048 0.068 0.000 1.273 595 H CB 1.449 31.246 29.762 0.059 0.000 1.926 595 H HN -0.128 nan 8.280 nan 0.000 0.524 596 A N 3.213 125.772 122.820 -0.436 0.000 2.119 596 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 596 A C 0.006 177.463 177.584 -0.212 0.000 1.152 596 A CA 0.986 52.873 52.037 -0.249 0.000 0.708 596 A CB 0.156 19.035 19.000 -0.202 0.000 0.805 596 A HN 0.236 nan 8.150 nan 0.000 0.460 597 V N 0.907 120.648 119.914 -0.289 0.000 2.275 597 V HA 0.192 4.312 4.120 -0.000 0.000 0.272 597 V C 1.319 177.480 176.094 0.112 0.000 1.028 597 V CA -0.340 61.938 62.300 -0.036 0.000 0.810 597 V CB 0.705 32.533 31.823 0.009 0.000 1.043 597 V HN 0.671 nan 8.190 nan 0.000 0.453 598 R N 2.748 123.285 120.500 0.062 0.000 2.105 598 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 598 R C 1.149 177.490 176.300 0.069 0.000 1.135 598 R CA 2.173 58.314 56.100 0.068 0.000 0.967 598 R CB 0.140 30.460 30.300 0.033 0.000 0.861 598 R HN 0.639 nan 8.270 nan 0.000 0.442 599 D N 0.194 120.628 120.400 0.058 0.000 2.312 599 D HA -0.090 4.550 4.640 -0.000 0.000 0.211 599 D C 1.014 177.346 176.300 0.053 0.000 0.964 599 D CA 0.908 54.935 54.000 0.045 0.000 0.877 599 D CB 0.095 40.915 40.800 0.033 0.000 0.924 599 D HN 0.447 nan 8.370 nan 0.000 0.515 600 E N -0.647 119.609 120.200 0.094 0.000 2.479 600 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 600 E C -0.191 176.424 176.600 0.025 0.000 1.049 600 E CA -0.147 56.304 56.400 0.085 0.000 0.870 600 E CB 0.418 30.233 29.700 0.191 0.000 0.944 600 E HN 0.037 nan 8.360 nan 0.000 0.492 601 L N 0.637 121.895 121.223 0.060 0.000 2.356 601 L HA 0.396 4.736 4.340 -0.000 0.000 0.277 601 L C -1.303 175.582 176.870 0.024 0.000 0.996 601 L CA -0.815 54.043 54.840 0.030 0.000 0.822 601 L CB 1.871 43.993 42.059 0.104 0.000 1.256 601 L HN -0.324 nan 8.230 nan 0.000 0.413 602 V N 4.194 124.113 119.914 0.009 0.000 2.483 602 V HA 0.413 4.533 4.120 -0.000 0.000 0.297 602 V C -0.712 175.397 176.094 0.025 0.000 1.027 602 V CA -0.549 61.761 62.300 0.015 0.000 0.855 602 V CB 1.584 33.412 31.823 0.008 0.000 0.995 602 V HN 0.880 nan 8.190 nan 0.000 0.424 603 C N 3.922 123.239 119.300 0.029 0.000 2.251 603 C HA 0.601 5.061 4.460 -0.000 0.000 0.323 603 C C 0.708 175.720 174.990 0.036 0.000 1.241 603 C CA -0.824 58.215 59.018 0.036 0.000 1.601 603 C CB 0.234 27.993 27.740 0.032 0.000 2.251 603 C HN 0.911 nan 8.230 nan 0.000 0.488 604 S N 2.338 118.066 115.700 0.045 0.000 2.420 604 S HA 0.232 4.702 4.470 -0.000 0.000 0.313 604 S C 0.551 175.183 174.600 0.055 0.000 1.079 604 S CA -0.381 57.846 58.200 0.046 0.000 1.104 604 S CB 1.252 64.482 63.200 0.050 0.000 0.969 604 S HN 0.745 nan 8.310 nan 0.000 0.471 605 Q N 3.012 122.837 119.800 0.042 0.000 2.234 605 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 605 Q C 1.931 177.950 176.000 0.032 0.000 0.980 605 Q CA 2.381 58.207 55.803 0.038 0.000 0.869 605 Q CB -0.513 28.240 28.738 0.025 0.000 0.912 605 Q HN 0.957 nan 8.270 nan 0.000 0.436 606 E N -0.190 120.029 120.200 0.032 0.000 2.318 606 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 606 E C 1.324 177.954 176.600 0.050 0.000 0.998 606 E CA 0.872 57.286 56.400 0.023 0.000 0.859 606 E CB -0.328 29.384 29.700 0.020 0.000 0.812 606 E HN 0.496 nan 8.360 nan 0.000 0.492 607 N N -0.796 117.956 118.700 0.087 0.000 2.184 607 N HA 0.127 4.867 4.740 -0.000 0.000 0.206 607 N C 1.051 176.714 175.510 0.256 0.000 1.151 607 N CA 0.687 53.830 53.050 0.154 0.000 0.878 607 N CB 1.234 39.800 38.487 0.133 0.000 1.014 607 N HN 0.445 nan 8.380 nan 0.000 0.512 608 G N 2.105 111.024 108.800 0.198 0.000 2.341 608 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 608 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 608 G C 0.189 175.240 174.900 0.253 0.000 1.021 608 G CA 1.373 46.629 45.100 0.261 0.000 0.905 608 G HN 0.459 nan 8.290 nan 0.000 0.508 609 T N -4.051 110.590 114.554 0.146 0.000 2.901 609 T HA 0.735 5.085 4.350 -0.000 0.000 0.293 609 T C -0.687 174.053 174.700 0.068 0.000 1.084 609 T CA -0.645 61.497 62.100 0.070 0.000 1.008 609 T CB 3.038 71.919 68.868 0.022 0.000 1.170 609 T HN 0.783 nan 8.240 nan 0.000 0.509 610 V N 1.616 121.573 119.914 0.072 0.000 2.483 610 V HA 0.455 4.574 4.120 -0.000 0.000 0.297 610 V C -0.476 175.635 176.094 0.029 0.000 1.027 610 V CA -0.713 61.637 62.300 0.083 0.000 0.855 610 V CB 1.527 33.462 31.823 0.186 0.000 0.995 610 V HN 0.920 nan 8.190 nan 0.000 0.424 611 Q N 4.120 123.919 119.800 -0.002 0.000 2.293 611 Q HA 0.650 4.990 4.340 -0.000 0.000 0.261 611 Q C -1.121 174.830 176.000 -0.082 0.000 0.960 611 Q CA -0.432 55.343 55.803 -0.047 0.000 0.882 611 Q CB 2.673 31.390 28.738 -0.035 0.000 1.275 611 Q HN 0.645 nan 8.270 nan 0.000 0.445 612 I N 3.313 123.795 120.570 -0.147 0.000 2.382 612 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 612 I C -0.501 175.499 176.117 -0.195 0.000 1.002 612 I CA -0.541 60.601 61.300 -0.264 0.000 1.135 612 I CB 1.136 38.873 38.000 -0.440 0.000 1.288 612 I HN 0.630 nan 8.210 nan 0.000 0.448 613 K N 4.884 125.199 120.400 -0.141 0.000 3.244 613 K HA -0.206 4.114 4.320 -0.000 0.000 0.270 613 K C 0.794 177.358 176.600 -0.060 0.000 1.016 613 K CA 0.810 57.053 56.287 -0.072 0.000 0.754 613 K CB -1.359 31.105 32.500 -0.059 0.000 1.326 613 K HN 1.146 nan 8.250 nan 0.000 0.465 614 G N -1.079 107.688 108.800 -0.054 0.000 2.245 614 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.264 614 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.264 614 G C 0.051 174.921 174.900 -0.050 0.000 0.985 614 G CA 0.790 45.865 45.100 -0.042 0.000 0.625 614 G HN 0.486 nan 8.290 nan 0.000 0.536 615 E N 0.121 120.279 120.200 -0.071 0.000 2.232 615 E HA 0.581 4.931 4.350 -0.000 0.000 0.264 615 E C -0.399 176.144 176.600 -0.094 0.000 0.973 615 E CA -0.459 55.895 56.400 -0.078 0.000 0.849 615 E CB 1.144 30.791 29.700 -0.087 0.000 1.198 615 E HN 0.085 nan 8.360 nan 0.000 0.407 616 T N 1.086 115.580 114.554 -0.099 0.000 2.780 616 T HA 0.170 4.520 4.350 -0.000 0.000 0.294 616 T C 0.469 175.068 174.700 -0.168 0.000 0.949 616 T CA -0.359 61.671 62.100 -0.116 0.000 1.074 616 T CB 1.084 69.880 68.868 -0.121 0.000 0.910 616 T HN 0.170 nan 8.240 nan 0.000 0.501 617 V N 2.621 122.409 119.914 -0.210 0.000 3.359 617 V HA 0.295 4.415 4.120 -0.000 0.000 0.245 617 V C -0.693 175.038 176.094 -0.605 0.000 1.247 617 V CA 0.372 62.425 62.300 -0.412 0.000 1.145 617 V CB 0.169 31.708 31.823 -0.473 0.000 0.906 617 V HN 0.831 nan 8.190 nan 0.000 0.464 618 Y N 0.885 121.138 120.300 -0.077 0.000 2.524 618 Y HA 0.665 5.215 4.550 -0.000 0.000 0.347 618 Y C -0.200 175.641 175.900 -0.098 0.000 1.005 618 Y CA -1.195 56.863 58.100 -0.070 0.000 1.025 618 Y CB 1.877 40.312 38.460 -0.042 0.000 1.275 618 Y HN 0.004 nan 8.280 nan 0.000 0.460 619 K N -0.050 120.388 120.400 0.063 0.000 2.527 619 K HA 0.633 4.953 4.320 -0.000 0.000 0.260 619 K C -1.569 175.087 176.600 0.094 0.000 0.937 619 K CA -0.953 55.309 56.287 -0.041 0.000 0.826 619 K CB 1.988 34.218 32.500 -0.450 0.000 1.359 619 K HN 0.430 nan 8.250 nan 0.000 0.434 620 V N 2.764 122.811 119.914 0.221 0.000 2.681 620 V HA -0.082 4.038 4.120 -0.000 0.000 0.306 620 V C 0.679 176.922 176.094 0.250 0.000 1.077 620 V CA 1.723 64.161 62.300 0.230 0.000 1.224 620 V CB -0.059 31.913 31.823 0.248 0.000 0.879 620 V HN 1.166 nan 8.190 nan 0.000 0.494 621 T N 1.395 116.040 114.554 0.150 0.000 6.560 621 T HA -0.159 4.191 4.350 -0.000 0.000 0.282 621 T C 0.316 175.073 174.700 0.094 0.000 2.166 621 T CA 0.664 62.839 62.100 0.125 0.000 3.676 621 T CB -0.917 68.047 68.868 0.161 0.000 0.961 621 T HN 0.818 nan 8.240 nan 0.000 0.735 622 D N 1.394 121.848 120.400 0.090 0.000 2.449 622 D HA 0.324 4.963 4.640 -0.000 0.000 0.236 622 D C 0.169 176.515 176.300 0.075 0.000 1.149 622 D CA 0.327 54.373 54.000 0.078 0.000 0.878 622 D CB 0.700 41.562 40.800 0.105 0.000 1.198 622 D HN 0.291 nan 8.370 nan 0.000 0.446 623 V N 3.917 123.871 119.914 0.067 0.000 2.313 623 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 623 V C 0.452 176.586 176.094 0.068 0.000 1.017 623 V CA -0.603 61.734 62.300 0.062 0.000 0.823 623 V CB 0.332 32.187 31.823 0.053 0.000 1.010 623 V HN 0.339 nan 8.190 nan 0.000 0.443 624 I N -0.042 120.572 120.570 0.073 0.000 2.957 624 I HA 0.782 4.952 4.170 -0.000 0.000 0.310 624 I C -0.783 175.372 176.117 0.064 0.000 1.063 624 I CA -0.934 60.417 61.300 0.084 0.000 1.033 624 I CB 2.211 40.291 38.000 0.133 0.000 1.230 624 I HN 0.218 nan 8.210 nan 0.000 0.447 625 D N 2.522 122.958 120.400 0.061 0.000 2.210 625 D HA 0.580 5.220 4.640 -0.000 0.000 0.249 625 D C -0.382 175.949 176.300 0.052 0.000 1.062 625 D CA 0.038 54.071 54.000 0.056 0.000 0.891 625 D CB 2.113 42.935 40.800 0.036 0.000 1.186 625 D HN 0.609 nan 8.370 nan 0.000 0.432 626 V N -1.122 118.835 119.914 0.073 0.000 3.078 626 V HA 0.870 4.990 4.120 -0.000 0.000 0.311 626 V C -0.144 176.014 176.094 0.106 0.000 1.138 626 V CA -0.879 61.454 62.300 0.055 0.000 1.007 626 V CB 1.706 33.538 31.823 0.015 0.000 1.045 626 V HN 0.624 nan 8.190 nan 0.000 0.432 627 T N 0.380 114.968 114.554 0.055 0.000 2.950 627 T HA 0.749 5.099 4.350 -0.000 0.000 0.288 627 T C -0.439 174.288 174.700 0.046 0.000 1.035 627 T CA -0.785 61.365 62.100 0.084 0.000 1.028 627 T CB 1.677 70.553 68.868 0.013 0.000 1.109 627 T HN 0.692 nan 8.240 nan 0.000 0.514 628 I N 2.017 122.624 120.570 0.063 0.000 2.304 628 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 628 I C 1.225 177.331 176.117 -0.018 0.000 1.018 628 I CA -0.795 60.500 61.300 -0.008 0.000 1.260 628 I CB 0.384 38.366 38.000 -0.030 0.000 1.390 628 I HN 1.017 nan 8.210 nan 0.000 0.475 629 A N 5.680 128.481 122.820 -0.032 0.000 1.887 629 A HA 0.113 4.433 4.320 -0.000 0.000 0.212 629 A C 0.799 178.385 177.584 0.004 0.000 1.198 629 A CA 0.632 52.645 52.037 -0.039 0.000 0.628 629 A CB 0.312 19.270 19.000 -0.071 0.000 0.847 629 A HN 0.723 nan 8.150 nan 0.000 0.449 630 E N -1.113 119.101 120.200 0.023 0.000 2.372 630 E HA 0.533 4.883 4.350 -0.000 0.000 0.279 630 E C -2.186 174.424 176.600 0.016 0.000 0.946 630 E CA -0.513 55.906 56.400 0.030 0.000 0.769 630 E CB 2.413 32.150 29.700 0.061 0.000 1.230 630 E HN -0.004 nan 8.360 nan 0.000 0.442 631 V N 3.956 123.877 119.914 0.012 0.000 2.482 631 V HA 0.474 4.593 4.120 -0.000 0.000 0.295 631 V C -0.146 175.952 176.094 0.007 0.000 1.026 631 V CA -0.661 61.642 62.300 0.005 0.000 0.856 631 V CB 1.507 33.334 31.823 0.007 0.000 1.001 631 V HN 0.647 nan 8.190 nan 0.000 0.424 635 T N -1.316 113.158 114.554 -0.132 0.000 3.040 635 T HA 0.329 4.678 4.350 -0.000 0.000 0.250 635 T C 0.534 175.067 174.700 -0.280 0.000 1.058 635 T CA 0.490 62.473 62.100 -0.195 0.000 0.988 635 T CB 0.087 68.866 68.868 -0.148 0.000 0.993 635 T HN 0.227 nan 8.240 nan 0.000 0.519 636 R N 0.500 120.838 120.500 -0.269 0.000 3.875 636 R HA -0.117 4.223 4.340 -0.000 0.000 0.321 636 R C -0.358 175.847 176.300 -0.158 0.000 1.196 636 R CA 0.725 56.669 56.100 -0.261 0.000 0.868 636 R CB -2.862 27.146 30.300 -0.486 0.000 1.333 636 R HN 0.439 nan 8.270 nan 0.000 0.522 637 S N 0.169 115.796 115.700 -0.121 0.000 2.562 637 S HA 0.634 5.103 4.470 -0.000 0.000 0.275 637 S C 0.423 175.000 174.600 -0.037 0.000 1.281 637 S CA -0.504 57.648 58.200 -0.080 0.000 1.045 637 S CB 1.197 64.349 63.200 -0.080 0.000 0.962 637 S HN 0.230 nan 8.310 nan 0.000 0.503 638 I N 3.581 124.139 120.570 -0.019 0.000 2.436 638 I HA 0.400 4.570 4.170 -0.000 0.000 0.289 638 I C -0.789 175.346 176.117 0.030 0.000 1.010 638 I CA -0.554 60.737 61.300 -0.014 0.000 1.098 638 I CB 1.324 39.289 38.000 -0.058 0.000 1.266 638 I HN 0.338 nan 8.210 nan 0.000 0.434 639 I N 4.973 125.570 120.570 0.045 0.000 2.412 639 I HA 0.709 4.879 4.170 -0.000 0.000 0.296 639 I C 0.269 176.407 176.117 0.036 0.000 0.987 639 I CA -0.402 60.952 61.300 0.090 0.000 1.180 639 I CB 1.560 39.652 38.000 0.154 0.000 1.340 639 I HN 0.604 nan 8.210 nan 0.000 0.455 640 A N 7.070 129.901 122.820 0.018 0.000 2.430 640 A HA 0.913 5.233 4.320 -0.000 0.000 0.300 640 A C -0.510 177.059 177.584 -0.025 0.000 1.124 640 A CA -0.775 51.245 52.037 -0.029 0.000 0.766 640 A CB 1.922 20.883 19.000 -0.066 0.000 1.328 640 A HN 0.741 nan 8.150 nan 0.000 0.424 641 R N 0.432 120.885 120.500 -0.077 0.000 2.744 641 R HA 0.538 4.878 4.340 -0.000 0.000 0.279 641 R C -2.991 173.266 176.300 -0.070 0.000 0.977 641 R CA -1.912 54.122 56.100 -0.111 0.000 0.906 641 R CB 1.932 32.051 30.300 -0.301 0.000 1.197 641 R HN 0.414 nan 8.270 nan 0.000 0.463 642 P HA 0.002 nan 4.420 nan 0.000 0.271 642 P C -0.209 177.088 177.300 -0.004 0.000 1.216 642 P CA -0.352 62.742 63.100 -0.010 0.000 0.776 642 P CB 0.496 32.218 31.700 0.037 0.000 0.881 643 V N 2.338 122.259 119.914 0.012 0.000 2.644 643 V HA 0.195 4.315 4.120 -0.000 0.000 0.305 643 V C 0.932 177.034 176.094 0.014 0.000 1.053 643 V CA 1.103 63.406 62.300 0.006 0.000 1.186 643 V CB -0.514 31.316 31.823 0.012 0.000 0.895 643 V HN 0.754 nan 8.190 nan 0.000 0.490 644 A N 0.000 122.819 122.820 -0.002 0.000 2.254 644 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 644 A CA 0.000 52.039 52.037 0.004 0.000 0.836 644 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 644 A HN 0.000 nan 8.150 nan 0.000 0.486