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 2p6p_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRILFVAAGS PATVFALAPL ATAARNAGHQ VVMAANQDMG PVVTGVGLPA DATA SEQUENCE VATTDLPIRH FITTDREGRP EAIPSDPVAQ ARFTGRWFAR MAASSLPRML DATA SEQUENCE DFSRAWRPDL IVGGTMSYVA PLLALHLGVP HARQTWDAVD ADGIHPGADA DATA SEQUENCE ELRPELSELG LERLPAPDLF IDICPPSLRP ANAAPARMMR HVATSRQCPL DATA SEQUENCE EPWMYTRDTR QRVLVTSGXX XXXXXXDRNF DFLRGLAKDL VRWDVELIVA DATA SEQUENCE APDTVAEALR AEVPQARVGW TPLDVVAPTC DLLVHHAGGV STLTGLSAGV DATA SEQUENCE PQLLIPKGSV LEAPARRVAD YGAAIALLPG EDSTEAIADS CQELQAKDTY DATA SEQUENCE ARRAQDLSRE ISGMPLPATV VTALEQLAHH HHHH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.342 176.300 0.071 0.000 1.140 1 M CA 0.000 55.373 55.300 0.122 0.000 0.988 1 M CB 0.000 32.564 32.600 -0.059 0.000 1.302 2 R N 1.828 122.275 120.500 -0.088 0.000 2.207 2 R HA 0.725 5.064 4.340 -0.000 0.000 0.334 2 R C -1.130 175.196 176.300 0.042 0.000 1.013 2 R CA -0.239 55.746 56.100 -0.191 0.000 0.858 2 R CB 0.683 30.533 30.300 -0.750 0.000 1.094 2 R HN 0.459 nan 8.270 nan 0.000 0.457 3 I N 4.379 125.157 120.570 0.345 0.000 2.410 3 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 3 I C -0.798 175.578 176.117 0.432 0.000 1.009 3 I CA -1.169 60.285 61.300 0.258 0.000 1.111 3 I CB 1.715 39.769 38.000 0.090 0.000 1.262 3 I HN 0.307 nan 8.210 nan 0.000 0.443 4 L N 7.443 128.849 121.223 0.304 0.000 2.265 4 L HA 0.510 4.850 4.340 -0.000 0.000 0.288 4 L C -1.139 175.713 176.870 -0.029 0.000 1.058 4 L CA 0.388 55.334 54.840 0.177 0.000 0.809 4 L CB 0.237 42.436 42.059 0.234 0.000 1.179 4 L HN 0.254 nan 8.230 nan 0.000 0.429 5 F N 4.257 124.231 119.950 0.040 0.000 2.397 5 F HA 0.597 5.124 4.527 -0.000 0.000 0.331 5 F C 0.028 175.835 175.800 0.012 0.000 1.090 5 F CA -0.576 57.444 58.000 0.033 0.000 1.065 5 F CB 1.802 40.818 39.000 0.027 0.000 1.184 5 F HN 0.110 nan 8.300 nan 0.000 0.499 6 V N 3.366 123.387 119.914 0.178 0.000 2.409 6 V HA 0.613 4.733 4.120 -0.000 0.000 0.290 6 V C 0.161 176.358 176.094 0.171 0.000 1.017 6 V CA -0.622 61.748 62.300 0.117 0.000 0.841 6 V CB 0.614 32.477 31.823 0.067 0.000 1.003 6 V HN 0.979 nan 8.190 nan 0.000 0.426 7 A N 4.249 127.159 122.820 0.149 0.000 3.591 7 A HA 1.027 5.347 4.320 -0.000 0.000 0.163 7 A C 0.663 178.344 177.584 0.161 0.000 1.876 7 A CA 0.581 52.739 52.037 0.201 0.000 1.380 7 A CB 0.404 19.450 19.000 0.076 0.000 1.777 7 A HN 1.387 nan 8.150 nan 0.000 0.720 8 A N -3.733 119.106 122.820 0.031 0.000 5.519 8 A HA 0.557 4.876 4.320 -0.000 0.000 0.158 8 A C 0.920 178.437 177.584 -0.113 0.000 0.860 8 A CA 0.644 52.669 52.037 -0.020 0.000 1.134 8 A CB -0.597 18.433 19.000 0.048 0.000 2.248 8 A HN 1.619 nan 8.150 nan 0.000 1.056 9 G N -0.031 108.673 108.800 -0.160 0.000 3.126 9 G HA2 0.438 4.398 3.960 -0.000 0.000 0.224 9 G HA3 0.438 4.398 3.960 -0.000 0.000 0.224 9 G C 0.480 175.296 174.900 -0.141 0.000 1.142 9 G CA 1.325 46.337 45.100 -0.147 0.000 0.759 9 G HN 1.548 nan 8.290 nan 0.000 0.550 10 S N -0.756 114.831 115.700 -0.188 0.000 2.568 10 S HA 0.612 5.082 4.470 -0.000 0.000 0.293 10 S C -2.165 172.281 174.600 -0.258 0.000 1.089 10 S CA -1.269 56.821 58.200 -0.185 0.000 0.945 10 S CB 2.874 65.978 63.200 -0.161 0.000 1.077 10 S HN -0.156 nan 8.310 nan 0.000 0.485 11 P HA -0.072 nan 4.420 nan 0.000 0.216 11 P C 1.600 178.549 177.300 -0.585 0.000 1.150 11 P CA 2.056 64.854 63.100 -0.504 0.000 0.843 11 P CB -0.163 31.341 31.700 -0.326 0.000 0.787 12 A N -0.338 122.343 122.820 -0.232 0.000 1.940 12 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 12 A C 2.264 179.740 177.584 -0.180 0.000 1.176 12 A CA 2.624 54.611 52.037 -0.083 0.000 0.631 12 A CB -2.005 16.935 19.000 -0.099 0.000 0.814 12 A HN 0.374 nan 8.150 nan 0.000 0.446 13 T N -2.894 111.449 114.554 -0.352 0.000 2.821 13 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 13 T C 1.685 176.344 174.700 -0.069 0.000 1.046 13 T CA 1.437 63.338 62.100 -0.330 0.000 1.139 13 T CB -0.666 67.870 68.868 -0.553 0.000 0.871 13 T HN 0.078 nan 8.240 nan 0.000 0.454 14 V N 0.819 120.608 119.914 -0.210 0.000 2.283 14 V HA -0.017 4.103 4.120 -0.000 0.000 0.243 14 V C 2.445 178.476 176.094 -0.105 0.000 1.039 14 V CA 1.515 63.691 62.300 -0.207 0.000 1.016 14 V CB -0.954 30.646 31.823 -0.373 0.000 0.650 14 V HN 0.354 nan 8.190 nan 0.000 0.449 15 F N 1.227 121.176 119.950 -0.002 0.000 2.161 15 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 15 F C 2.482 178.311 175.800 0.049 0.000 1.089 15 F CA 1.077 59.084 58.000 0.011 0.000 1.282 15 F CB -1.513 37.497 39.000 0.016 0.000 1.010 15 F HN 0.108 nan 8.300 nan 0.000 0.485 16 A N -0.351 122.623 122.820 0.256 0.000 1.940 16 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 16 A C 2.030 179.739 177.584 0.208 0.000 1.176 16 A CA 1.467 53.663 52.037 0.265 0.000 0.631 16 A CB -0.855 18.338 19.000 0.321 0.000 0.814 16 A HN 0.286 nan 8.150 nan 0.000 0.446 17 L N -1.111 120.215 121.223 0.172 0.000 2.509 17 L HA 0.222 4.562 4.340 -0.000 0.000 0.222 17 L C 2.648 179.500 176.870 -0.030 0.000 1.123 17 L CA 1.020 55.931 54.840 0.117 0.000 0.856 17 L CB -0.725 41.435 42.059 0.168 0.000 0.985 17 L HN 0.372 nan 8.230 nan 0.000 0.456 18 A N 0.342 123.161 122.820 -0.001 0.000 1.898 18 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 18 A C -0.110 177.424 177.584 -0.082 0.000 1.181 18 A CA 1.292 53.295 52.037 -0.057 0.000 0.620 18 A CB -1.569 17.462 19.000 0.051 0.000 0.819 18 A HN 0.294 nan 8.150 nan 0.000 0.442 19 P HA -0.152 nan 4.420 nan 0.000 0.214 19 P C 1.674 178.944 177.300 -0.051 0.000 1.163 19 P CA 0.853 63.925 63.100 -0.046 0.000 0.883 19 P CB -0.068 31.608 31.700 -0.041 0.000 0.788 20 L N -0.379 120.822 121.223 -0.036 0.000 2.027 20 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 20 L C 2.248 179.045 176.870 -0.121 0.000 1.074 20 L CA 2.035 56.877 54.840 0.004 0.000 0.745 20 L CB -1.673 40.462 42.059 0.127 0.000 0.898 20 L HN -0.126 nan 8.230 nan 0.000 0.433 21 A N -1.109 121.394 122.820 -0.529 0.000 1.883 21 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 21 A C 2.353 179.740 177.584 -0.329 0.000 1.186 21 A CA 2.653 54.089 52.037 -1.001 0.000 0.624 21 A CB -1.400 16.810 19.000 -1.317 0.000 0.822 21 A HN 0.619 nan 8.150 nan 0.000 0.444 22 T N -2.372 112.063 114.554 -0.198 0.000 2.904 22 T HA 0.149 4.499 4.350 -0.000 0.000 0.267 22 T C 1.906 176.592 174.700 -0.023 0.000 1.059 22 T CA 1.499 63.551 62.100 -0.080 0.000 1.137 22 T CB -0.502 68.331 68.868 -0.059 0.000 0.879 22 T HN 0.565 nan 8.240 nan 0.000 0.467 23 A N 1.843 124.654 122.820 -0.015 0.000 1.933 23 A HA 0.351 4.671 4.320 -0.000 0.000 0.218 23 A C 2.811 180.448 177.584 0.090 0.000 1.175 23 A CA 1.755 53.810 52.037 0.030 0.000 0.628 23 A CB -1.356 17.663 19.000 0.033 0.000 0.814 23 A HN 0.742 nan 8.150 nan 0.000 0.444 24 A N -0.472 122.428 122.820 0.134 0.000 1.898 24 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 24 A C 2.280 180.020 177.584 0.260 0.000 1.181 24 A CA 1.564 53.768 52.037 0.279 0.000 0.620 24 A CB -0.527 18.688 19.000 0.358 0.000 0.819 24 A HN 0.431 nan 8.150 nan 0.000 0.442 25 R N 0.242 120.833 120.500 0.152 0.000 2.083 25 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 25 R C 1.369 177.704 176.300 0.059 0.000 1.137 25 R CA 1.946 58.113 56.100 0.111 0.000 0.951 25 R CB -0.642 29.696 30.300 0.063 0.000 0.851 25 R HN 0.507 nan 8.270 nan 0.000 0.434 26 N N 0.530 119.254 118.700 0.041 0.000 2.364 26 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 26 N C 1.127 176.635 175.510 -0.003 0.000 1.022 26 N CA 1.236 54.294 53.050 0.015 0.000 0.883 26 N CB -0.143 38.352 38.487 0.012 0.000 0.965 26 N HN 0.298 nan 8.380 nan 0.000 0.438 27 A N -0.730 122.091 122.820 0.001 0.000 2.275 27 A HA 0.486 4.806 4.320 -0.000 0.000 0.212 27 A C 1.456 178.882 177.584 -0.264 0.000 1.201 27 A CA 0.637 52.629 52.037 -0.075 0.000 0.843 27 A CB -0.128 18.888 19.000 0.026 0.000 0.873 27 A HN 0.276 nan 8.150 nan 0.000 0.492 28 G N -1.232 107.454 108.800 -0.189 0.000 2.179 28 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 28 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 28 G C 0.062 174.848 174.900 -0.190 0.000 0.990 28 G CA 0.088 45.074 45.100 -0.190 0.000 0.646 28 G HN 0.624 nan 8.290 nan 0.000 0.517 29 H N 0.743 119.859 119.070 0.077 0.000 2.551 29 H HA 0.386 4.942 4.556 -0.000 0.000 0.358 29 H C 0.383 175.793 175.328 0.136 0.000 1.151 29 H CA 0.091 56.199 56.048 0.100 0.000 1.374 29 H CB 0.682 30.520 29.762 0.127 0.000 1.473 29 H HN 0.189 nan 8.280 nan 0.000 0.574 30 Q N 1.949 121.923 119.800 0.289 0.000 2.307 30 Q HA 0.261 4.601 4.340 -0.000 0.000 0.259 30 Q C -0.424 175.877 176.000 0.502 0.000 0.998 30 Q CA -0.311 55.688 55.803 0.327 0.000 0.923 30 Q CB 1.299 30.188 28.738 0.252 0.000 1.196 30 Q HN 0.274 nan 8.270 nan 0.000 0.416 31 V N 3.238 123.413 119.914 0.434 0.000 2.604 31 V HA 0.552 4.672 4.120 -0.000 0.000 0.305 31 V C -0.125 176.114 176.094 0.242 0.000 1.043 31 V CA -0.735 61.812 62.300 0.412 0.000 0.888 31 V CB 2.275 34.273 31.823 0.292 0.000 0.995 31 V HN 0.462 nan 8.190 nan 0.000 0.429 32 V N 5.151 125.126 119.914 0.101 0.000 2.735 32 V HA 0.563 4.683 4.120 -0.000 0.000 0.310 32 V C -0.376 175.709 176.094 -0.015 0.000 1.061 32 V CA -0.571 61.648 62.300 -0.135 0.000 0.913 32 V CB 2.062 33.533 31.823 -0.586 0.000 1.005 32 V HN 0.899 nan 8.190 nan 0.000 0.428 33 M N 3.652 123.216 119.600 -0.060 0.000 2.243 33 M HA 0.815 5.295 4.480 -0.000 0.000 0.324 33 M C -0.479 175.757 176.300 -0.106 0.000 1.031 33 M CA -0.476 54.816 55.300 -0.013 0.000 0.949 33 M CB 1.528 34.114 32.600 -0.023 0.000 1.615 33 M HN 0.808 nan 8.290 nan 0.000 0.430 34 A N 3.856 126.622 122.820 -0.091 0.000 2.312 34 A HA 1.000 5.320 4.320 -0.000 0.000 0.326 34 A C -0.892 176.643 177.584 -0.082 0.000 1.172 34 A CA -0.202 51.743 52.037 -0.152 0.000 0.821 34 A CB 1.036 19.925 19.000 -0.185 0.000 1.166 34 A HN 1.128 nan 8.150 nan 0.000 0.493 35 A N 2.047 124.805 122.820 -0.102 0.000 2.566 35 A HA 0.626 4.946 4.320 -0.000 0.000 0.290 35 A C -0.720 176.812 177.584 -0.087 0.000 1.071 35 A CA -0.926 51.062 52.037 -0.081 0.000 0.658 35 A CB 0.260 19.207 19.000 -0.089 0.000 1.285 35 A HN 0.813 nan 8.150 nan 0.000 0.427 36 N N 0.798 119.452 118.700 -0.077 0.000 2.345 36 N HA 0.086 4.826 4.740 -0.000 0.000 0.243 36 N C 1.210 176.686 175.510 -0.057 0.000 1.246 36 N CA 0.731 53.748 53.050 -0.055 0.000 0.863 36 N CB 0.443 38.903 38.487 -0.044 0.000 1.096 36 N HN 0.786 nan 8.380 nan 0.000 0.446 37 Q N 1.163 120.939 119.800 -0.039 0.000 2.133 37 Q HA -0.282 4.057 4.340 -0.000 0.000 0.208 37 Q C 0.630 176.604 176.000 -0.043 0.000 0.991 37 Q CA 2.098 57.876 55.803 -0.042 0.000 0.867 37 Q CB -0.075 28.648 28.738 -0.024 0.000 0.911 37 Q HN 0.797 nan 8.270 nan 0.000 0.417 38 D N -0.670 119.708 120.400 -0.037 0.000 2.350 38 D HA -0.178 4.462 4.640 -0.000 0.000 0.216 38 D C 1.350 177.617 176.300 -0.056 0.000 0.968 38 D CA 0.865 54.841 54.000 -0.039 0.000 0.894 38 D CB -0.106 40.674 40.800 -0.033 0.000 0.909 38 D HN 0.297 nan 8.370 nan 0.000 0.520 39 M N 0.179 119.734 119.600 -0.075 0.000 2.502 39 M HA 0.275 4.755 4.480 -0.000 0.000 0.243 39 M C 2.089 178.331 176.300 -0.097 0.000 1.130 39 M CA 0.403 55.640 55.300 -0.104 0.000 1.055 39 M CB -0.460 32.060 32.600 -0.133 0.000 1.457 39 M HN 0.206 nan 8.290 nan 0.000 0.488 40 G N 2.384 111.137 108.800 -0.078 0.000 2.513 40 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 40 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 40 G C -0.944 173.920 174.900 -0.060 0.000 1.160 40 G CA 0.702 45.758 45.100 -0.072 0.000 0.767 40 G HN 0.325 nan 8.290 nan 0.000 0.571 41 P HA -0.045 nan 4.420 nan 0.000 0.216 41 P C 2.135 179.419 177.300 -0.026 0.000 1.150 41 P CA 1.027 64.109 63.100 -0.029 0.000 0.837 41 P CB -0.113 31.576 31.700 -0.020 0.000 0.786 42 V N -0.558 119.321 119.914 -0.058 0.000 2.295 42 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 42 V C 2.451 178.500 176.094 -0.075 0.000 1.049 42 V CA 1.808 64.056 62.300 -0.087 0.000 1.024 42 V CB -1.400 30.268 31.823 -0.258 0.000 0.648 42 V HN -0.030 nan 8.190 nan 0.000 0.447 43 V N 1.205 121.061 119.914 -0.096 0.000 2.287 43 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 43 V C 2.875 178.945 176.094 -0.041 0.000 1.053 43 V CA 2.704 64.957 62.300 -0.078 0.000 1.027 43 V CB -1.360 30.409 31.823 -0.090 0.000 0.646 43 V HN 0.835 nan 8.190 nan 0.000 0.447 44 T N -1.196 113.337 114.554 -0.035 0.000 2.867 44 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 44 T C 1.848 176.549 174.700 0.001 0.000 1.057 44 T CA 1.409 63.498 62.100 -0.019 0.000 1.136 44 T CB -0.738 68.118 68.868 -0.019 0.000 0.874 44 T HN 0.498 nan 8.240 nan 0.000 0.466 45 G N 1.202 110.013 108.800 0.017 0.000 2.776 45 G HA2 0.113 4.072 3.960 -0.000 0.000 0.209 45 G HA3 0.113 4.072 3.960 -0.000 0.000 0.209 45 G C 1.377 176.318 174.900 0.068 0.000 1.145 45 G CA 0.672 45.799 45.100 0.046 0.000 0.791 45 G HN 0.773 nan 8.290 nan 0.000 0.530 46 V N -3.487 116.462 119.914 0.059 0.000 3.621 46 V HA 0.597 4.717 4.120 -0.000 0.000 0.285 46 V C 1.399 177.501 176.094 0.013 0.000 1.346 46 V CA 0.454 62.787 62.300 0.056 0.000 1.104 46 V CB -0.326 31.544 31.823 0.079 0.000 0.913 46 V HN 0.871 nan 8.190 nan 0.000 0.432 47 G N 0.695 109.498 108.800 0.005 0.000 2.132 47 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.228 47 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.228 47 G C -0.312 174.583 174.900 -0.009 0.000 1.000 47 G CA 0.343 45.442 45.100 -0.002 0.000 0.693 47 G HN 0.582 nan 8.290 nan 0.000 0.515 48 L N 0.275 121.486 121.223 -0.020 0.000 2.342 48 L HA 0.574 4.914 4.340 -0.000 0.000 0.271 48 L C -2.075 174.779 176.870 -0.027 0.000 1.008 48 L CA -2.639 52.184 54.840 -0.027 0.000 0.818 48 L CB 2.069 44.093 42.059 -0.059 0.000 1.296 48 L HN -0.147 nan 8.230 nan 0.000 0.427 49 P HA 0.181 nan 4.420 nan 0.000 0.271 49 P C -1.136 176.114 177.300 -0.083 0.000 1.216 49 P CA -0.211 62.868 63.100 -0.035 0.000 0.771 49 P CB 0.904 32.597 31.700 -0.012 0.000 0.864 50 A N 2.919 125.682 122.820 -0.096 0.000 2.337 50 A HA 0.675 4.995 4.320 -0.000 0.000 0.329 50 A C -0.799 176.672 177.584 -0.189 0.000 1.146 50 A CA -0.658 51.302 52.037 -0.130 0.000 0.800 50 A CB 1.081 20.022 19.000 -0.098 0.000 1.220 50 A HN 0.398 nan 8.150 nan 0.000 0.472 51 V N 0.799 120.558 119.914 -0.259 0.000 2.876 51 V HA 0.707 4.827 4.120 -0.000 0.000 0.312 51 V C 0.142 176.073 176.094 -0.272 0.000 1.085 51 V CA -0.264 61.820 62.300 -0.361 0.000 0.945 51 V CB 2.093 33.469 31.823 -0.745 0.000 1.017 51 V HN 1.342 nan 8.190 nan 0.000 0.428 52 A N 2.111 124.795 122.820 -0.226 0.000 2.274 52 A HA 0.556 4.876 4.320 -0.000 0.000 0.309 52 A C 1.065 178.562 177.584 -0.144 0.000 1.226 52 A CA 0.313 52.262 52.037 -0.147 0.000 0.853 52 A CB 0.869 19.813 19.000 -0.092 0.000 1.146 52 A HN 1.076 nan 8.150 nan 0.000 0.518 53 T N -0.323 114.163 114.554 -0.113 0.000 2.942 53 T HA 0.172 4.522 4.350 -0.000 0.000 0.265 53 T C 0.824 175.501 174.700 -0.039 0.000 1.062 53 T CA 1.414 63.462 62.100 -0.086 0.000 1.139 53 T CB -0.152 68.667 68.868 -0.081 0.000 0.883 53 T HN 0.950 nan 8.240 nan 0.000 0.468 54 T N -0.315 114.233 114.554 -0.011 0.000 2.830 54 T HA 0.349 4.699 4.350 -0.000 0.000 0.322 54 T C -1.368 173.365 174.700 0.055 0.000 1.501 54 T CA -0.661 61.474 62.100 0.058 0.000 1.036 54 T CB 1.661 70.621 68.868 0.154 0.000 1.379 54 T HN -0.030 nan 8.240 nan 0.000 0.493 55 D N 1.462 121.905 120.400 0.071 0.000 2.398 55 D HA 0.213 4.853 4.640 -0.000 0.000 0.210 55 D C 0.120 176.457 176.300 0.062 0.000 1.094 55 D CA -0.014 54.013 54.000 0.046 0.000 0.839 55 D CB 0.467 41.283 40.800 0.028 0.000 0.963 55 D HN 0.150 nan 8.370 nan 0.000 0.506 56 L N 2.198 123.488 121.223 0.112 0.000 2.326 56 L HA 0.333 4.673 4.340 -0.000 0.000 0.278 56 L C -2.213 174.721 176.870 0.107 0.000 1.092 56 L CA -1.826 53.063 54.840 0.081 0.000 0.810 56 L CB 0.813 42.834 42.059 -0.063 0.000 1.153 56 L HN -0.252 nan 8.230 nan 0.000 0.439 57 P HA 0.186 nan 4.420 nan 0.000 0.279 57 P C 1.144 178.469 177.300 0.042 0.000 1.239 57 P CA -0.333 62.733 63.100 -0.057 0.000 0.789 57 P CB 0.673 32.232 31.700 -0.235 0.000 0.933 58 I N 2.740 123.399 120.570 0.149 0.000 2.315 58 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 58 I C 1.704 178.163 176.117 0.570 0.000 1.125 58 I CA 1.430 62.931 61.300 0.336 0.000 1.392 58 I CB 0.053 38.045 38.000 -0.013 0.000 1.065 58 I HN 0.251 nan 8.210 nan 0.000 0.424 59 R N -0.340 120.337 120.500 0.295 0.000 2.189 59 R HA -0.131 4.208 4.340 -0.000 0.000 0.223 59 R C 1.809 178.162 176.300 0.087 0.000 1.092 59 R CA 1.386 57.580 56.100 0.157 0.000 0.989 59 R CB -0.600 29.710 30.300 0.017 0.000 0.876 59 R HN 0.643 nan 8.270 nan 0.000 0.457 60 H N -1.277 117.789 119.070 -0.006 0.000 2.559 60 H HA -0.020 4.536 4.556 -0.000 0.000 0.273 60 H C 0.750 175.897 175.328 -0.300 0.000 1.000 60 H CA 0.261 56.192 56.048 -0.195 0.000 1.195 60 H CB 0.165 29.748 29.762 -0.299 0.000 1.368 60 H HN 0.147 nan 8.280 nan 0.000 0.592 61 F N 0.883 120.956 119.950 0.204 0.000 2.765 61 F HA 0.114 4.641 4.527 -0.000 0.000 0.302 61 F C 0.992 176.837 175.800 0.076 0.000 1.111 61 F CA -0.359 57.747 58.000 0.176 0.000 1.359 61 F CB 0.140 39.289 39.000 0.249 0.000 1.097 61 F HN 0.078 nan 8.300 nan 0.000 0.577 62 I N -0.772 119.784 120.570 -0.023 0.000 2.496 62 I HA 0.302 4.471 4.170 -0.000 0.000 0.285 62 I C 0.263 176.340 176.117 -0.067 0.000 1.080 62 I CA -0.014 61.162 61.300 -0.207 0.000 1.404 62 I CB 0.765 38.519 38.000 -0.410 0.000 1.403 62 I HN -0.186 nan 8.210 nan 0.000 0.539 63 T N 4.755 119.278 114.554 -0.051 0.000 2.824 63 T HA 0.382 4.732 4.350 -0.000 0.000 0.277 63 T C 0.406 175.099 174.700 -0.010 0.000 0.975 63 T CA -0.157 61.932 62.100 -0.018 0.000 0.966 63 T CB 1.200 70.065 68.868 -0.004 0.000 1.054 63 T HN 0.871 nan 8.240 nan 0.000 0.533 64 T N -0.885 113.665 114.554 -0.007 0.000 2.912 64 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 64 T C -0.069 174.637 174.700 0.010 0.000 0.989 64 T CA -1.011 61.089 62.100 -0.001 0.000 0.995 64 T CB 0.854 69.714 68.868 -0.012 0.000 1.077 64 T HN 0.639 nan 8.240 nan 0.000 0.531 65 D N 0.145 120.553 120.400 0.014 0.000 2.356 65 D HA 0.104 4.744 4.640 -0.000 0.000 0.258 65 D C 1.442 177.748 176.300 0.010 0.000 1.279 65 D CA -0.762 53.249 54.000 0.018 0.000 1.016 65 D CB 0.307 41.118 40.800 0.019 0.000 1.107 65 D HN 0.706 nan 8.370 nan 0.000 0.544 66 R N -0.415 120.092 120.500 0.011 0.000 2.105 66 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 66 R C 1.130 177.431 176.300 0.003 0.000 1.135 66 R CA 1.883 57.988 56.100 0.007 0.000 0.967 66 R CB -0.147 30.157 30.300 0.008 0.000 0.861 66 R HN 0.703 nan 8.270 nan 0.000 0.442 67 E N -1.831 118.371 120.200 0.002 0.000 2.451 67 E HA 0.247 4.597 4.350 -0.000 0.000 0.194 67 E C 0.751 177.348 176.600 -0.005 0.000 1.027 67 E CA 0.265 56.664 56.400 -0.001 0.000 0.914 67 E CB 1.013 30.713 29.700 -0.001 0.000 1.054 67 E HN 0.435 nan 8.360 nan 0.000 0.461 68 G N 1.107 109.904 108.800 -0.005 0.000 2.217 68 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 68 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 68 G C 0.352 175.244 174.900 -0.013 0.000 0.990 68 G CA -0.317 44.776 45.100 -0.011 0.000 0.627 68 G HN 0.126 nan 8.290 nan 0.000 0.522 69 R N 1.999 122.494 120.500 -0.008 0.000 2.491 69 R HA 0.460 4.800 4.340 -0.000 0.000 0.283 69 R C -1.957 174.341 176.300 -0.005 0.000 1.072 69 R CA -2.319 53.776 56.100 -0.008 0.000 1.048 69 R CB 0.157 30.454 30.300 -0.006 0.000 0.983 69 R HN 0.242 nan 8.270 nan 0.000 0.450 70 P HA -0.045 nan 4.420 nan 0.000 0.267 70 P C -0.689 176.617 177.300 0.011 0.000 1.200 70 P CA 0.051 63.147 63.100 -0.006 0.000 0.772 70 P CB 0.516 32.206 31.700 -0.017 0.000 0.855 71 E N 1.194 121.418 120.200 0.041 0.000 2.259 71 E HA 0.383 4.733 4.350 -0.000 0.000 0.281 71 E C -0.093 176.550 176.600 0.073 0.000 1.037 71 E CA -0.663 55.794 56.400 0.093 0.000 0.854 71 E CB 0.476 30.284 29.700 0.181 0.000 1.051 71 E HN 0.454 nan 8.360 nan 0.000 0.409 72 A N 4.936 127.764 122.820 0.013 0.000 2.477 72 A HA 0.195 4.515 4.320 -0.000 0.000 0.246 72 A C 0.399 177.850 177.584 -0.221 0.000 1.078 72 A CA -0.366 51.624 52.037 -0.077 0.000 0.770 72 A CB -0.213 18.754 19.000 -0.055 0.000 1.011 72 A HN 0.754 nan 8.150 nan 0.000 0.494 73 I N 1.680 122.011 120.570 -0.400 0.000 2.505 73 I HA 0.342 4.511 4.170 -0.000 0.000 0.287 73 I C -1.945 173.971 176.117 -0.335 0.000 1.104 73 I CA -1.497 59.404 61.300 -0.665 0.000 1.387 73 I CB 0.108 37.743 38.000 -0.609 0.000 1.404 73 I HN 0.374 nan 8.210 nan 0.000 0.528 74 P HA 0.156 nan 4.420 nan 0.000 0.274 74 P C 0.464 177.711 177.300 -0.090 0.000 1.237 74 P CA -0.497 62.536 63.100 -0.111 0.000 0.793 74 P CB 1.365 33.044 31.700 -0.036 0.000 0.977 75 S N -0.243 115.428 115.700 -0.050 0.000 2.388 75 S HA -0.080 4.390 4.470 -0.000 0.000 0.223 75 S C 0.697 175.287 174.600 -0.016 0.000 1.034 75 S CA 0.287 58.466 58.200 -0.035 0.000 0.963 75 S CB -0.974 62.211 63.200 -0.025 0.000 0.827 75 S HN 0.623 nan 8.310 nan 0.000 0.481 76 D N 4.049 124.446 120.400 -0.004 0.000 2.586 76 D HA 0.080 4.719 4.640 -0.000 0.000 0.234 76 D C -1.593 174.716 176.300 0.016 0.000 1.132 76 D CA -1.174 52.832 54.000 0.009 0.000 0.860 76 D CB 0.648 41.458 40.800 0.016 0.000 1.159 76 D HN 0.017 nan 8.370 nan 0.000 0.490 77 P HA -0.212 nan 4.420 nan 0.000 0.216 77 P C 1.536 178.857 177.300 0.035 0.000 1.157 77 P CA 0.783 63.898 63.100 0.024 0.000 0.880 77 P CB 0.148 31.860 31.700 0.020 0.000 0.791 78 V N 0.017 119.952 119.914 0.035 0.000 2.287 78 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 78 V C 2.476 178.607 176.094 0.063 0.000 1.053 78 V CA 2.342 64.668 62.300 0.042 0.000 1.027 78 V CB -1.768 30.076 31.823 0.035 0.000 0.646 78 V HN 0.117 nan 8.190 nan 0.000 0.447 79 A N -1.191 121.666 122.820 0.061 0.000 1.902 79 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 79 A C 2.209 179.870 177.584 0.128 0.000 1.181 79 A CA 1.816 53.905 52.037 0.086 0.000 0.623 79 A CB -0.495 18.542 19.000 0.062 0.000 0.818 79 A HN 0.583 nan 8.150 nan 0.000 0.443 80 Q N -0.766 119.084 119.800 0.084 0.000 2.061 80 Q HA -0.191 4.148 4.340 -0.000 0.000 0.204 80 Q C 2.517 178.630 176.000 0.189 0.000 0.984 80 Q CA 1.587 57.449 55.803 0.098 0.000 0.846 80 Q CB -0.405 28.357 28.738 0.040 0.000 0.902 80 Q HN 0.681 nan 8.270 nan 0.000 0.421 81 A N 1.266 124.165 122.820 0.131 0.000 1.883 81 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 81 A C 2.083 179.760 177.584 0.156 0.000 1.186 81 A CA 1.715 53.824 52.037 0.119 0.000 0.624 81 A CB -0.605 18.431 19.000 0.060 0.000 0.822 81 A HN 0.270 nan 8.150 nan 0.000 0.444 82 R N -1.666 118.925 120.500 0.152 0.000 2.081 82 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 82 R C 2.020 178.448 176.300 0.214 0.000 1.131 82 R CA 1.795 57.983 56.100 0.146 0.000 0.960 82 R CB -0.479 29.890 30.300 0.115 0.000 0.856 82 R HN 0.529 nan 8.270 nan 0.000 0.436 83 F N 1.154 121.178 119.950 0.124 0.000 2.095 83 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 83 F C 2.013 177.993 175.800 0.300 0.000 1.104 83 F CA 2.240 60.343 58.000 0.173 0.000 1.232 83 F CB -0.343 38.739 39.000 0.137 0.000 0.987 83 F HN 0.012 nan 8.300 nan 0.000 0.475 84 T N -0.187 114.741 114.554 0.623 0.000 2.746 84 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 84 T C 2.109 177.053 174.700 0.407 0.000 1.039 84 T CA 1.361 63.822 62.100 0.602 0.000 1.142 84 T CB -1.212 67.890 68.868 0.389 0.000 0.866 84 T HN 0.492 nan 8.240 nan 0.000 0.444 85 G N 1.407 110.358 108.800 0.253 0.000 2.418 85 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 85 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 85 G C 1.743 176.744 174.900 0.167 0.000 1.158 85 G CA 0.241 45.467 45.100 0.210 0.000 0.771 85 G HN 0.375 nan 8.290 nan 0.000 0.545 86 R N -0.975 119.593 120.500 0.113 0.000 2.081 86 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 86 R C 2.261 178.638 176.300 0.129 0.000 1.131 86 R CA 1.490 57.617 56.100 0.044 0.000 0.960 86 R CB -0.518 29.758 30.300 -0.040 0.000 0.856 86 R HN 0.554 nan 8.270 nan 0.000 0.436 87 W N 1.134 122.404 121.300 -0.050 0.000 2.355 87 W HA -0.153 4.506 4.660 -0.000 0.000 0.309 87 W C 1.651 178.226 176.519 0.092 0.000 1.206 87 W CA 1.079 58.418 57.345 -0.010 0.000 1.284 87 W CB -0.959 28.505 29.460 0.006 0.000 1.145 87 W HN -0.047 nan 8.180 nan 0.000 0.502 88 F N 0.809 120.716 119.950 -0.072 0.000 2.216 88 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 88 F C 2.623 178.475 175.800 0.087 0.000 1.085 88 F CA 1.950 59.888 58.000 -0.104 0.000 1.326 88 F CB -0.972 38.039 39.000 0.019 0.000 1.027 88 F HN -0.011 nan 8.300 nan 0.000 0.497 89 A N -0.053 122.925 122.820 0.264 0.000 1.930 89 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 89 A C 2.146 179.740 177.584 0.017 0.000 1.175 89 A CA 1.506 53.586 52.037 0.072 0.000 0.627 89 A CB -0.665 18.243 19.000 -0.153 0.000 0.815 89 A HN 0.309 nan 8.150 nan 0.000 0.443 90 R N -0.858 119.660 120.500 0.029 0.000 2.073 90 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 90 R C 2.242 178.474 176.300 -0.114 0.000 1.134 90 R CA 1.902 58.016 56.100 0.024 0.000 0.952 90 R CB -0.364 30.010 30.300 0.123 0.000 0.850 90 R HN 0.587 nan 8.270 nan 0.000 0.433 91 M N -0.083 119.336 119.600 -0.303 0.000 2.080 91 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 91 M C 2.118 178.138 176.300 -0.468 0.000 1.068 91 M CA 2.244 57.041 55.300 -0.839 0.000 1.109 91 M CB -0.181 31.895 32.600 -0.873 0.000 1.342 91 M HN 0.301 nan 8.290 nan 0.000 0.405 92 A N 0.245 122.952 122.820 -0.188 0.000 1.892 92 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 92 A C 2.326 179.875 177.584 -0.058 0.000 1.188 92 A CA 2.299 54.300 52.037 -0.060 0.000 0.631 92 A CB -1.401 17.660 19.000 0.101 0.000 0.822 92 A HN 0.700 nan 8.150 nan 0.000 0.447 93 A N -0.896 121.896 122.820 -0.046 0.000 1.902 93 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 93 A C 2.435 180.008 177.584 -0.020 0.000 1.181 93 A CA 2.026 54.051 52.037 -0.019 0.000 0.623 93 A CB -0.888 18.110 19.000 -0.004 0.000 0.818 93 A HN 0.456 nan 8.150 nan 0.000 0.443 94 S N 0.278 115.957 115.700 -0.035 0.000 2.382 94 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 94 S C 2.188 176.793 174.600 0.007 0.000 1.027 94 S CA 1.700 59.916 58.200 0.026 0.000 0.991 94 S CB -0.327 62.953 63.200 0.135 0.000 0.823 94 S HN 0.890 nan 8.310 nan 0.000 0.469 95 S N 0.898 116.563 115.700 -0.059 0.000 2.558 95 S HA 0.143 4.613 4.470 -0.000 0.000 0.217 95 S C 1.617 176.203 174.600 -0.023 0.000 0.975 95 S CA -0.023 58.154 58.200 -0.038 0.000 0.912 95 S CB -0.274 62.879 63.200 -0.078 0.000 0.776 95 S HN 0.270 nan 8.310 nan 0.000 0.526 96 L N 2.987 124.194 121.223 -0.027 0.000 2.012 96 L HA 0.098 4.438 4.340 -0.000 0.000 0.210 96 L C -1.034 175.808 176.870 -0.046 0.000 1.073 96 L CA 1.892 56.709 54.840 -0.038 0.000 0.748 96 L CB -1.503 40.528 42.059 -0.048 0.000 0.891 96 L HN 0.148 nan 8.230 nan 0.000 0.431 97 P HA -0.211 nan 4.420 nan 0.000 0.215 97 P C 1.597 178.900 177.300 0.005 0.000 1.157 97 P CA 1.718 64.805 63.100 -0.022 0.000 0.874 97 P CB -0.123 31.573 31.700 -0.005 0.000 0.790 98 R N -0.926 119.584 120.500 0.017 0.000 2.075 98 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 98 R C 2.048 178.387 176.300 0.065 0.000 1.126 98 R CA 1.591 57.713 56.100 0.036 0.000 0.963 98 R CB -0.491 29.823 30.300 0.022 0.000 0.858 98 R HN 0.024 nan 8.270 nan 0.000 0.435 99 M N 0.121 119.750 119.600 0.049 0.000 2.319 99 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 99 M C 1.939 178.324 176.300 0.141 0.000 1.068 99 M CA 0.818 56.178 55.300 0.100 0.000 1.118 99 M CB -0.649 31.980 32.600 0.048 0.000 1.395 99 M HN 0.206 nan 8.290 nan 0.000 0.435 100 L N 0.911 122.166 121.223 0.053 0.000 2.027 100 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 100 L C 1.846 178.745 176.870 0.049 0.000 1.074 100 L CA 1.921 56.771 54.840 0.018 0.000 0.745 100 L CB -1.112 40.898 42.059 -0.082 0.000 0.898 100 L HN 0.203 nan 8.230 nan 0.000 0.433 101 D N -1.270 119.167 120.400 0.061 0.000 2.123 101 D HA -0.261 4.379 4.640 -0.000 0.000 0.196 101 D C 2.056 178.422 176.300 0.110 0.000 0.992 101 D CA 1.285 55.327 54.000 0.070 0.000 0.833 101 D CB -0.250 40.592 40.800 0.070 0.000 0.954 101 D HN 0.332 nan 8.370 nan 0.000 0.455 102 F N 1.595 121.561 119.950 0.027 0.000 2.075 102 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 102 F C 2.372 178.235 175.800 0.105 0.000 1.113 102 F CA 1.434 59.462 58.000 0.047 0.000 1.218 102 F CB -0.327 38.676 39.000 0.005 0.000 0.984 102 F HN -0.178 nan 8.300 nan 0.000 0.472 103 S N 0.748 116.448 115.700 0.000 0.000 2.382 103 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 103 S C 1.941 176.503 174.600 -0.065 0.000 1.027 103 S CA 1.156 59.330 58.200 -0.044 0.000 0.991 103 S CB -0.385 62.893 63.200 0.130 0.000 0.823 103 S HN 0.405 nan 8.310 nan 0.000 0.469 104 R N 1.118 121.598 120.500 -0.034 0.000 2.120 104 R HA 0.014 4.354 4.340 -0.000 0.000 0.234 104 R C 2.441 178.708 176.300 -0.056 0.000 1.123 104 R CA 1.240 57.323 56.100 -0.029 0.000 0.975 104 R CB -0.376 29.921 30.300 -0.005 0.000 0.866 104 R HN 0.417 nan 8.270 nan 0.000 0.446 105 A N -0.162 122.605 122.820 -0.087 0.000 1.903 105 A HA -0.131 4.189 4.320 -0.000 0.000 0.213 105 A C 1.727 179.255 177.584 -0.093 0.000 1.185 105 A CA 0.530 52.521 52.037 -0.077 0.000 0.628 105 A CB -0.520 18.451 19.000 -0.048 0.000 0.830 105 A HN 0.489 nan 8.150 nan 0.000 0.446 106 W N -0.006 121.020 121.300 -0.457 0.000 2.523 106 W HA 0.155 4.815 4.660 -0.000 0.000 0.278 106 W C 0.220 176.599 176.519 -0.233 0.000 1.236 106 W CA 0.882 57.971 57.345 -0.427 0.000 1.306 106 W CB 0.136 29.102 29.460 -0.824 0.000 1.101 106 W HN 0.325 nan 8.180 nan 0.000 0.577 107 R N -0.404 120.009 120.500 -0.145 0.000 3.076 107 R HA -0.174 4.166 4.340 -0.000 0.000 0.261 107 R C -2.663 173.492 176.300 -0.243 0.000 0.930 107 R CA 0.429 56.424 56.100 -0.175 0.000 0.649 107 R CB -2.367 27.813 30.300 -0.199 0.000 1.350 107 R HN 0.081 nan 8.270 nan 0.000 0.453 108 P HA 0.008 nan 4.420 nan 0.000 0.271 108 P C -0.210 177.051 177.300 -0.064 0.000 1.218 108 P CA -0.029 63.080 63.100 0.014 0.000 0.780 108 P CB 0.693 32.579 31.700 0.310 0.000 0.901 109 D N 0.807 121.145 120.400 -0.104 0.000 2.354 109 D HA 0.109 4.749 4.640 -0.000 0.000 0.209 109 D C 0.454 176.669 176.300 -0.142 0.000 1.015 109 D CA 0.855 54.776 54.000 -0.131 0.000 0.867 109 D CB 0.385 41.101 40.800 -0.139 0.000 0.933 109 D HN 0.209 nan 8.370 nan 0.000 0.520 110 L N 0.472 121.635 121.223 -0.101 0.000 2.545 110 L HA 0.331 4.671 4.340 -0.000 0.000 0.258 110 L C -2.155 174.658 176.870 -0.096 0.000 0.942 110 L CA -0.655 54.104 54.840 -0.135 0.000 0.855 110 L CB 2.362 44.311 42.059 -0.184 0.000 1.374 110 L HN -0.311 nan 8.230 nan 0.000 0.411 111 I N 4.933 125.446 120.570 -0.094 0.000 2.436 111 I HA 0.540 4.710 4.170 -0.000 0.000 0.289 111 I C -0.682 175.360 176.117 -0.124 0.000 1.010 111 I CA -0.778 60.483 61.300 -0.066 0.000 1.098 111 I CB 1.741 39.761 38.000 0.034 0.000 1.266 111 I HN 0.324 nan 8.210 nan 0.000 0.434 112 V N 4.851 124.594 119.914 -0.285 0.000 2.409 112 V HA 0.803 4.923 4.120 -0.000 0.000 0.291 112 V C 0.500 176.544 176.094 -0.083 0.000 1.020 112 V CA -0.402 61.718 62.300 -0.300 0.000 0.848 112 V CB 1.653 33.067 31.823 -0.682 0.000 0.990 112 V HN 0.957 nan 8.190 nan 0.000 0.430 113 G N 2.506 111.320 108.800 0.025 0.000 2.498 113 G HA2 0.673 4.633 3.960 -0.000 0.000 0.312 113 G HA3 0.673 4.633 3.960 -0.000 0.000 0.312 113 G C 0.045 174.918 174.900 -0.045 0.000 1.230 113 G CA -0.305 44.827 45.100 0.053 0.000 0.968 113 G HN 0.976 nan 8.290 nan 0.000 0.481 114 G N -0.597 108.144 108.800 -0.099 0.000 2.651 114 G HA2 0.364 4.324 3.960 -0.000 0.000 0.260 114 G HA3 0.364 4.324 3.960 -0.000 0.000 0.260 114 G C 1.209 175.516 174.900 -0.988 0.000 1.216 114 G CA 0.550 45.310 45.100 -0.567 0.000 0.913 114 G HN 0.575 nan 8.290 nan 0.000 0.535 115 T N 0.830 114.482 114.554 -1.503 0.000 2.624 115 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 115 T C 1.933 176.194 174.700 -0.731 0.000 1.041 115 T CA 1.861 63.427 62.100 -0.890 0.000 1.159 115 T CB -0.191 68.166 68.868 -0.852 0.000 0.863 115 T HN 0.362 nan 8.240 nan 0.000 0.434 116 M N 0.897 119.984 119.600 -0.854 0.000 2.655 116 M HA 0.241 4.721 4.480 -0.000 0.000 0.311 116 M C 0.206 176.228 176.300 -0.462 0.000 1.229 116 M CA -0.097 54.741 55.300 -0.771 0.000 0.972 116 M CB 0.415 32.740 32.600 -0.459 0.000 1.366 116 M HN -0.101 nan 8.290 nan 0.000 0.500 117 S N 0.486 115.958 115.700 -0.380 0.000 3.983 117 S HA 0.126 4.596 4.470 -0.000 0.000 0.194 117 S C 0.405 174.905 174.600 -0.166 0.000 1.464 117 S CA -0.432 57.715 58.200 -0.089 0.000 1.021 117 S CB -0.516 62.695 63.200 0.020 0.000 1.424 117 S HN 0.395 nan 8.310 nan 0.000 0.473 118 Y N -0.107 120.218 120.300 0.041 0.000 2.483 118 Y HA -0.084 4.466 4.550 -0.000 0.000 0.291 118 Y C 2.274 178.136 175.900 -0.064 0.000 1.143 118 Y CA 0.125 58.206 58.100 -0.031 0.000 1.289 118 Y CB -0.520 37.937 38.460 -0.004 0.000 0.983 118 Y HN 0.432 nan 8.280 nan 0.000 0.556 119 V N -0.205 119.754 119.914 0.074 0.000 2.626 119 V HA -0.261 3.858 4.120 -0.000 0.000 0.252 119 V C 2.248 178.336 176.094 -0.009 0.000 1.067 119 V CA 1.445 63.761 62.300 0.027 0.000 1.081 119 V CB -0.755 31.072 31.823 0.007 0.000 0.686 119 V HN 0.434 nan 8.190 nan 0.000 0.468 120 A N 1.392 124.186 122.820 -0.042 0.000 1.851 120 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 120 A C 0.641 178.086 177.584 -0.232 0.000 1.195 120 A CA 1.980 53.974 52.037 -0.072 0.000 0.622 120 A CB -2.021 16.979 19.000 -0.000 0.000 0.831 120 A HN 0.606 nan 8.150 nan 0.000 0.444 121 P HA -0.128 nan 4.420 nan 0.000 0.217 121 P C 1.637 178.818 177.300 -0.199 0.000 1.150 121 P CA 0.952 63.683 63.100 -0.616 0.000 0.832 121 P CB -0.239 31.071 31.700 -0.650 0.000 0.787 122 L N -1.052 120.120 121.223 -0.085 0.000 2.012 122 L HA -0.174 4.165 4.340 -0.000 0.000 0.210 122 L C 2.852 179.807 176.870 0.142 0.000 1.073 122 L CA 1.417 56.284 54.840 0.045 0.000 0.748 122 L CB -1.037 41.069 42.059 0.077 0.000 0.891 122 L HN -0.079 nan 8.230 nan 0.000 0.431 123 L N -0.540 120.729 121.223 0.077 0.000 2.017 123 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 123 L C 2.893 179.818 176.870 0.092 0.000 1.073 123 L CA 1.227 56.127 54.840 0.099 0.000 0.745 123 L CB -0.704 41.396 42.059 0.068 0.000 0.894 123 L HN 0.252 nan 8.230 nan 0.000 0.432 124 A N 0.037 122.875 122.820 0.030 0.000 1.908 124 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 124 A C 2.241 179.837 177.584 0.019 0.000 1.181 124 A CA 1.532 53.579 52.037 0.017 0.000 0.627 124 A CB -0.714 18.290 19.000 0.007 0.000 0.818 124 A HN 0.371 nan 8.150 nan 0.000 0.445 125 L N -1.909 119.313 121.223 -0.002 0.000 2.093 125 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 125 L C 2.556 179.382 176.870 -0.074 0.000 1.085 125 L CA 1.606 56.418 54.840 -0.048 0.000 0.755 125 L CB -0.608 41.391 42.059 -0.101 0.000 0.904 125 L HN 0.483 nan 8.230 nan 0.000 0.435 126 H N -0.531 118.537 119.070 -0.002 0.000 2.357 126 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 126 H C 2.059 177.392 175.328 0.009 0.000 1.082 126 H CA 1.326 57.377 56.048 0.004 0.000 1.342 126 H CB 0.117 29.883 29.762 0.007 0.000 1.389 126 H HN 0.179 nan 8.280 nan 0.000 0.511 127 L N -1.080 120.218 121.223 0.124 0.000 2.558 127 L HA 0.184 4.523 4.340 -0.000 0.000 0.225 127 L C 1.180 178.078 176.870 0.047 0.000 1.128 127 L CA 0.364 55.248 54.840 0.074 0.000 0.868 127 L CB 0.182 42.277 42.059 0.059 0.000 1.006 127 L HN 0.450 nan 8.230 nan 0.000 0.454 128 G N 1.537 110.365 108.800 0.047 0.000 2.272 128 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.280 128 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.280 128 G C 0.025 174.982 174.900 0.095 0.000 1.067 128 G CA 0.377 45.516 45.100 0.066 0.000 0.902 128 G HN 0.293 nan 8.290 nan 0.000 0.500 129 V N -3.780 116.154 119.914 0.032 0.000 3.046 129 V HA 0.973 5.093 4.120 -0.000 0.000 0.316 129 V C -2.305 173.656 176.094 -0.222 0.000 1.104 129 V CA -2.997 59.259 62.300 -0.074 0.000 1.006 129 V CB 2.224 33.999 31.823 -0.079 0.000 1.058 129 V HN 0.048 nan 8.190 nan 0.000 0.440 130 P HA 0.305 nan 4.420 nan 0.000 0.272 130 P C -1.346 175.862 177.300 -0.152 0.000 1.223 130 P CA 0.410 63.246 63.100 -0.440 0.000 0.784 130 P CB 0.111 31.496 31.700 -0.525 0.000 0.923 131 H N 0.889 119.853 119.070 -0.177 0.000 2.589 131 H HA 0.695 5.251 4.556 -0.000 0.000 0.335 131 H C -1.381 173.884 175.328 -0.104 0.000 1.019 131 H CA -0.857 55.117 56.048 -0.124 0.000 1.213 131 H CB 0.749 30.459 29.762 -0.085 0.000 1.472 131 H HN 0.409 nan 8.280 nan 0.000 0.508 132 A N 5.485 127.989 122.820 -0.527 0.000 2.324 132 A HA 0.606 4.926 4.320 -0.000 0.000 0.330 132 A C -0.498 176.713 177.584 -0.620 0.000 1.165 132 A CA -0.929 50.799 52.037 -0.516 0.000 0.813 132 A CB 0.733 19.570 19.000 -0.270 0.000 1.197 132 A HN 0.826 nan 8.150 nan 0.000 0.484 133 R N 1.919 122.169 120.500 -0.417 0.000 2.445 133 R HA 0.458 4.797 4.340 -0.000 0.000 0.308 133 R C -0.859 175.398 176.300 -0.071 0.000 0.961 133 R CA -0.328 55.665 56.100 -0.178 0.000 0.862 133 R CB 1.105 31.403 30.300 -0.003 0.000 1.144 133 R HN 0.840 nan 8.270 nan 0.000 0.447 134 Q N 3.012 122.749 119.800 -0.104 0.000 2.333 134 Q HA 0.224 4.564 4.340 -0.000 0.000 0.267 134 Q C -0.853 175.044 176.000 -0.171 0.000 1.012 134 Q CA -0.707 55.023 55.803 -0.122 0.000 0.824 134 Q CB 1.883 30.604 28.738 -0.029 0.000 1.290 134 Q HN 0.829 nan 8.270 nan 0.000 0.449 135 T N 0.581 115.027 114.554 -0.179 0.000 2.930 135 T HA 0.180 4.530 4.350 -0.000 0.000 0.306 135 T C 0.327 175.010 174.700 -0.029 0.000 1.045 135 T CA -0.422 61.577 62.100 -0.168 0.000 1.134 135 T CB 0.220 69.036 68.868 -0.087 0.000 0.961 135 T HN 0.761 nan 8.240 nan 0.000 0.545 136 W N 1.985 123.283 121.300 -0.005 0.000 2.991 136 W HA 0.484 5.144 4.660 -0.000 0.000 0.391 136 W C -0.541 175.959 176.519 -0.032 0.000 1.054 136 W CA -0.876 56.467 57.345 -0.002 0.000 1.856 136 W CB -0.994 28.465 29.460 -0.003 0.000 1.132 136 W HN 0.944 nan 8.180 nan 0.000 0.601 137 D N -1.753 118.813 120.400 0.276 0.000 3.024 137 D HA 0.352 4.992 4.640 -0.000 0.000 0.354 137 D C 0.136 176.465 176.300 0.049 0.000 1.431 137 D CA -0.157 53.910 54.000 0.111 0.000 0.842 137 D CB 0.150 41.022 40.800 0.120 0.000 1.437 137 D HN -0.143 nan 8.370 nan 0.000 0.507 138 A N -0.266 122.561 122.820 0.012 0.000 2.415 138 A HA 0.508 4.828 4.320 -0.000 0.000 0.248 138 A C 0.148 177.746 177.584 0.024 0.000 1.299 138 A CA -0.233 51.808 52.037 0.006 0.000 0.899 138 A CB -0.385 18.604 19.000 -0.019 0.000 0.997 138 A HN 0.317 nan 8.150 nan 0.000 0.506 139 V N 1.603 121.542 119.914 0.041 0.000 2.488 139 V HA 0.079 4.199 4.120 -0.000 0.000 0.277 139 V C 0.128 176.232 176.094 0.016 0.000 1.046 139 V CA -0.624 61.694 62.300 0.030 0.000 0.986 139 V CB 0.919 32.767 31.823 0.041 0.000 0.989 139 V HN 0.501 nan 8.190 nan 0.000 0.475 140 D N 4.314 124.719 120.400 0.008 0.000 2.417 140 D HA 0.253 4.892 4.640 -0.000 0.000 0.250 140 D C 0.667 176.931 176.300 -0.060 0.000 1.166 140 D CA 0.400 54.397 54.000 -0.006 0.000 0.881 140 D CB 1.554 42.356 40.800 0.004 0.000 1.164 140 D HN 0.641 nan 8.370 nan 0.000 0.467 141 A N 3.658 126.406 122.820 -0.119 0.000 2.387 141 A HA 0.032 4.352 4.320 -0.000 0.000 0.234 141 A C 1.622 179.029 177.584 -0.296 0.000 1.253 141 A CA 0.155 52.003 52.037 -0.316 0.000 0.894 141 A CB -0.046 18.599 19.000 -0.592 0.000 0.963 141 A HN 0.629 nan 8.150 nan 0.000 0.508 142 D N 1.097 121.435 120.400 -0.103 0.000 2.149 142 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 142 D C 1.759 178.045 176.300 -0.024 0.000 1.001 142 D CA 2.151 56.133 54.000 -0.030 0.000 0.849 142 D CB -0.394 40.401 40.800 -0.007 0.000 0.939 142 D HN 0.289 nan 8.370 nan 0.000 0.449 143 G N -0.780 107.999 108.800 -0.034 0.000 2.712 143 G HA2 0.039 3.999 3.960 -0.000 0.000 0.212 143 G HA3 0.039 3.999 3.960 -0.000 0.000 0.212 143 G C 1.811 176.708 174.900 -0.005 0.000 1.142 143 G CA 0.196 45.292 45.100 -0.006 0.000 0.789 143 G HN 0.383 nan 8.290 nan 0.000 0.535 144 I N -0.597 119.933 120.570 -0.067 0.000 2.628 144 I HA 0.066 4.236 4.170 -0.000 0.000 0.255 144 I C 2.264 178.387 176.117 0.009 0.000 1.119 144 I CA 0.206 61.473 61.300 -0.055 0.000 1.448 144 I CB -0.130 37.778 38.000 -0.154 0.000 1.133 144 I HN 0.034 nan 8.210 nan 0.000 0.438 145 H N 0.919 120.022 119.070 0.055 0.000 2.421 145 H HA -0.052 4.504 4.556 -0.000 0.000 0.298 145 H C -0.587 174.716 175.328 -0.042 0.000 1.087 145 H CA 1.157 57.224 56.048 0.033 0.000 1.330 145 H CB -1.649 28.134 29.762 0.035 0.000 1.388 145 H HN 0.276 nan 8.280 nan 0.000 0.526 146 P HA -0.070 nan 4.420 nan 0.000 0.217 146 P C 1.867 179.169 177.300 0.003 0.000 1.150 146 P CA 1.565 64.683 63.100 0.030 0.000 0.832 146 P CB -0.277 31.441 31.700 0.031 0.000 0.787 147 G N 0.194 109.004 108.800 0.016 0.000 2.402 147 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 147 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 147 G C 1.664 176.532 174.900 -0.053 0.000 1.162 147 G CA 0.860 45.965 45.100 0.008 0.000 0.777 147 G HN 0.303 nan 8.290 nan 0.000 0.539 148 A N 1.181 123.930 122.820 -0.119 0.000 1.908 148 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 148 A C 2.099 179.512 177.584 -0.285 0.000 1.181 148 A CA 2.123 53.947 52.037 -0.354 0.000 0.627 148 A CB -0.455 17.974 19.000 -0.952 0.000 0.818 148 A HN 0.276 nan 8.150 nan 0.000 0.445 149 D N 0.047 120.336 120.400 -0.184 0.000 2.117 149 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 149 D C 2.267 178.515 176.300 -0.088 0.000 0.987 149 D CA 1.542 55.466 54.000 -0.127 0.000 0.829 149 D CB -0.453 40.301 40.800 -0.077 0.000 0.961 149 D HN 0.426 nan 8.370 nan 0.000 0.460 150 A N 0.842 123.624 122.820 -0.064 0.000 1.877 150 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 150 A C 2.167 179.725 177.584 -0.044 0.000 1.186 150 A CA 1.940 53.952 52.037 -0.040 0.000 0.620 150 A CB -0.555 18.433 19.000 -0.022 0.000 0.822 150 A HN 0.144 nan 8.150 nan 0.000 0.443 151 E N 0.097 120.262 120.200 -0.058 0.000 2.110 151 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 151 E C 1.562 178.131 176.600 -0.052 0.000 0.988 151 E CA 1.060 57.431 56.400 -0.049 0.000 0.804 151 E CB -0.314 29.356 29.700 -0.050 0.000 0.745 151 E HN 0.584 nan 8.360 nan 0.000 0.458 152 L N -0.091 121.082 121.223 -0.082 0.000 2.591 152 L HA 0.186 4.525 4.340 -0.000 0.000 0.228 152 L C 2.195 179.038 176.870 -0.046 0.000 1.133 152 L CA -0.033 54.766 54.840 -0.069 0.000 0.880 152 L CB -0.131 41.863 42.059 -0.109 0.000 1.033 152 L HN 0.048 nan 8.230 nan 0.000 0.450 153 R N 1.168 121.644 120.500 -0.041 0.000 2.096 153 R HA -0.171 4.169 4.340 -0.000 0.000 0.240 153 R C -0.462 175.827 176.300 -0.018 0.000 1.139 153 R CA 1.903 57.984 56.100 -0.031 0.000 0.952 153 R CB -0.968 29.317 30.300 -0.025 0.000 0.854 153 R HN 0.206 nan 8.270 nan 0.000 0.436 154 P HA -0.127 nan 4.420 nan 0.000 0.215 154 P C 0.561 177.866 177.300 0.007 0.000 1.157 154 P CA 1.365 64.465 63.100 -0.001 0.000 0.868 154 P CB 0.074 31.777 31.700 0.004 0.000 0.788 155 E N -0.938 119.269 120.200 0.011 0.000 2.077 155 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 155 E C 1.884 178.496 176.600 0.020 0.000 0.989 155 E CA 0.904 57.326 56.400 0.035 0.000 0.800 155 E CB -1.111 28.613 29.700 0.040 0.000 0.746 155 E HN 0.043 nan 8.360 nan 0.000 0.452 156 L N 0.711 121.928 121.223 -0.009 0.000 2.046 156 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 156 L C 2.401 179.253 176.870 -0.030 0.000 1.077 156 L CA 2.122 56.944 54.840 -0.030 0.000 0.747 156 L CB -1.574 40.461 42.059 -0.040 0.000 0.896 156 L HN 0.239 nan 8.230 nan 0.000 0.432 157 S N -0.808 114.881 115.700 -0.019 0.000 2.382 157 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 157 S C 1.692 176.283 174.600 -0.015 0.000 1.027 157 S CA 1.088 59.278 58.200 -0.017 0.000 0.991 157 S CB -0.395 62.799 63.200 -0.010 0.000 0.823 157 S HN 0.490 nan 8.310 nan 0.000 0.469 158 E N 1.861 122.059 120.200 -0.003 0.000 2.130 158 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 158 E C 1.953 178.532 176.600 -0.034 0.000 0.998 158 E CA 1.081 57.484 56.400 0.006 0.000 0.806 158 E CB -0.590 29.142 29.700 0.054 0.000 0.738 158 E HN 0.611 nan 8.360 nan 0.000 0.459 159 L N -0.049 121.130 121.223 -0.073 0.000 2.612 159 L HA 0.160 4.500 4.340 -0.000 0.000 0.230 159 L C 1.203 178.024 176.870 -0.082 0.000 1.140 159 L CA 0.329 55.091 54.840 -0.130 0.000 0.896 159 L CB -0.241 41.700 42.059 -0.197 0.000 1.065 159 L HN 0.192 nan 8.230 nan 0.000 0.447 160 G N 0.626 109.394 108.800 -0.052 0.000 2.176 160 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 160 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 160 G C -0.039 174.837 174.900 -0.039 0.000 1.024 160 G CA 0.080 45.156 45.100 -0.040 0.000 0.755 160 G HN 0.262 nan 8.290 nan 0.000 0.507 161 L N -1.295 119.903 121.223 -0.043 0.000 2.319 161 L HA 0.675 5.015 4.340 -0.000 0.000 0.267 161 L C 1.184 178.033 176.870 -0.035 0.000 1.011 161 L CA -0.474 54.342 54.840 -0.040 0.000 0.818 161 L CB 1.725 43.755 42.059 -0.049 0.000 1.316 161 L HN 0.266 nan 8.230 nan 0.000 0.432 162 E N 1.325 121.505 120.200 -0.033 0.000 2.447 162 E HA 0.114 4.464 4.350 -0.000 0.000 0.204 162 E C -0.001 176.577 176.600 -0.036 0.000 0.977 162 E CA -0.070 56.312 56.400 -0.030 0.000 0.950 162 E CB 0.589 30.274 29.700 -0.024 0.000 0.975 162 E HN 0.561 nan 8.360 nan 0.000 0.496 163 R N -0.410 120.064 120.500 -0.042 0.000 2.716 163 R HA 0.384 4.724 4.340 -0.000 0.000 0.271 163 R C -1.125 175.139 176.300 -0.060 0.000 1.028 163 R CA -0.974 55.095 56.100 -0.052 0.000 0.883 163 R CB 0.330 30.603 30.300 -0.045 0.000 1.250 163 R HN 0.004 nan 8.270 nan 0.000 0.465 164 L N 2.788 123.965 121.223 -0.077 0.000 2.499 164 L HA 0.241 4.581 4.340 -0.000 0.000 0.273 164 L C -1.552 175.276 176.870 -0.071 0.000 1.195 164 L CA -1.459 53.333 54.840 -0.080 0.000 0.882 164 L CB 0.334 42.333 42.059 -0.099 0.000 1.133 164 L HN 0.510 nan 8.230 nan 0.000 0.483 165 P HA 0.134 nan 4.420 nan 0.000 0.274 165 P C -0.709 176.565 177.300 -0.043 0.000 1.256 165 P CA -0.601 62.476 63.100 -0.039 0.000 0.795 165 P CB 0.663 32.353 31.700 -0.017 0.000 1.038 166 A N 2.118 124.911 122.820 -0.045 0.000 2.483 166 A HA 0.331 4.651 4.320 -0.000 0.000 0.238 166 A C -1.905 175.676 177.584 -0.005 0.000 1.070 166 A CA -0.745 51.255 52.037 -0.061 0.000 0.770 166 A CB -1.730 17.234 19.000 -0.060 0.000 1.008 166 A HN 0.430 nan 8.150 nan 0.000 0.497 167 P HA 0.100 nan 4.420 nan 0.000 0.269 167 P C 0.002 177.290 177.300 -0.020 0.000 1.215 167 P CA -0.249 62.855 63.100 0.007 0.000 0.780 167 P CB 0.490 32.122 31.700 -0.114 0.000 0.898 168 D N 0.336 120.711 120.400 -0.041 0.000 2.264 168 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 168 D C 0.438 176.717 176.300 -0.034 0.000 0.966 168 D CA 1.393 55.376 54.000 -0.027 0.000 0.864 168 D CB 0.165 40.933 40.800 -0.054 0.000 0.933 168 D HN 0.122 nan 8.370 nan 0.000 0.499 169 L N -0.292 120.884 121.223 -0.077 0.000 2.505 169 L HA 0.368 4.708 4.340 -0.000 0.000 0.266 169 L C -1.822 175.050 176.870 0.004 0.000 0.954 169 L CA -0.810 54.009 54.840 -0.034 0.000 0.852 169 L CB 2.247 44.268 42.059 -0.063 0.000 1.282 169 L HN -0.210 nan 8.230 nan 0.000 0.403 170 F N 6.127 126.010 119.950 -0.112 0.000 2.426 170 F HA 0.733 5.260 4.527 -0.000 0.000 0.348 170 F C -0.890 174.863 175.800 -0.078 0.000 1.124 170 F CA -0.657 57.277 58.000 -0.110 0.000 1.008 170 F CB 0.978 39.932 39.000 -0.078 0.000 1.139 170 F HN 0.369 nan 8.300 nan 0.000 0.452 171 I N 5.697 125.950 120.570 -0.528 0.000 2.389 171 I HA 0.270 4.440 4.170 -0.000 0.000 0.288 171 I C -1.090 174.620 176.117 -0.678 0.000 0.999 171 I CA -0.559 60.459 61.300 -0.469 0.000 1.129 171 I CB 1.536 39.407 38.000 -0.215 0.000 1.288 171 I HN 0.478 nan 8.210 nan 0.000 0.444 172 D N 6.132 126.182 120.400 -0.583 0.000 2.391 172 D HA 0.368 5.008 4.640 -0.000 0.000 0.245 172 D C 0.538 176.715 176.300 -0.204 0.000 1.069 172 D CA -0.486 53.239 54.000 -0.457 0.000 0.831 172 D CB 1.835 42.366 40.800 -0.449 0.000 1.204 172 D HN 0.555 nan 8.370 nan 0.000 0.503 173 I N 0.393 120.892 120.570 -0.118 0.000 3.793 173 I HA 0.256 4.425 4.170 -0.000 0.000 0.315 173 I C 0.902 177.002 176.117 -0.029 0.000 1.275 173 I CA -0.480 60.799 61.300 -0.034 0.000 1.214 173 I CB 0.007 38.034 38.000 0.045 0.000 1.018 173 I HN 0.160 nan 8.210 nan 0.000 0.439 174 C N 4.270 123.540 119.300 -0.049 0.000 2.648 174 C HA 0.293 4.753 4.460 -0.000 0.000 0.415 174 C C -1.830 173.138 174.990 -0.038 0.000 1.366 174 C CA -1.174 57.820 59.018 -0.040 0.000 1.756 174 C CB -0.380 27.346 27.740 -0.024 0.000 2.549 174 C HN 0.265 nan 8.230 nan 0.000 0.597 175 P HA 0.126 nan 4.420 nan 0.000 0.265 175 P C -1.927 175.352 177.300 -0.035 0.000 1.193 175 P CA -0.744 62.326 63.100 -0.049 0.000 0.765 175 P CB 0.183 31.827 31.700 -0.093 0.000 0.823 176 P HA -0.254 nan 4.420 nan 0.000 0.216 176 P C 1.509 178.820 177.300 0.018 0.000 1.157 176 P CA 2.081 65.184 63.100 0.005 0.000 0.880 176 P CB -0.446 31.262 31.700 0.012 0.000 0.791 177 S N -1.271 114.442 115.700 0.022 0.000 2.465 177 S HA -0.108 4.361 4.470 -0.000 0.000 0.241 177 S C 1.613 176.251 174.600 0.062 0.000 1.000 177 S CA 1.086 59.329 58.200 0.073 0.000 0.964 177 S CB -1.385 61.909 63.200 0.157 0.000 0.763 177 S HN 0.128 nan 8.310 nan 0.000 0.512 178 L N 0.011 121.233 121.223 -0.003 0.000 2.640 178 L HA 0.317 4.656 4.340 -0.000 0.000 0.230 178 L C 0.878 177.759 176.870 0.018 0.000 1.123 178 L CA -0.303 54.539 54.840 0.004 0.000 0.900 178 L CB 0.037 42.068 42.059 -0.048 0.000 1.146 178 L HN 0.096 nan 8.230 nan 0.000 0.484 179 R N 0.799 121.313 120.500 0.023 0.000 2.531 179 R HA 0.314 4.654 4.340 -0.000 0.000 0.273 179 R C -2.142 174.183 176.300 0.041 0.000 1.070 179 R CA -1.887 54.233 56.100 0.033 0.000 1.112 179 R CB -0.196 30.126 30.300 0.036 0.000 1.049 179 R HN -0.189 nan 8.270 nan 0.000 0.508 180 P HA -0.132 nan 4.420 nan 0.000 0.267 180 P C 0.048 177.372 177.300 0.040 0.000 1.195 180 P CA 0.382 63.506 63.100 0.041 0.000 0.773 180 P CB 0.517 32.242 31.700 0.041 0.000 0.837 181 A N 3.055 125.897 122.820 0.036 0.000 1.972 181 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 181 A C 1.681 179.284 177.584 0.031 0.000 1.169 181 A CA 1.869 53.925 52.037 0.033 0.000 0.635 181 A CB -1.022 17.995 19.000 0.028 0.000 0.810 181 A HN 0.730 nan 8.150 nan 0.000 0.446 182 N N 0.461 119.179 118.700 0.030 0.000 2.422 182 N HA 0.208 4.948 4.740 -0.000 0.000 0.181 182 N C 0.648 176.178 175.510 0.034 0.000 1.080 182 N CA 0.657 53.724 53.050 0.027 0.000 0.893 182 N CB -0.799 37.701 38.487 0.022 0.000 0.973 182 N HN 0.366 nan 8.380 nan 0.000 0.456 183 A N 0.815 123.662 122.820 0.046 0.000 2.616 183 A HA 0.361 4.680 4.320 -0.000 0.000 0.234 183 A C 0.775 178.404 177.584 0.075 0.000 1.024 183 A CA 0.259 52.337 52.037 0.068 0.000 0.758 183 A CB -0.469 18.581 19.000 0.084 0.000 0.939 183 A HN 0.619 nan 8.150 nan 0.000 0.510 184 A N 4.376 127.248 122.820 0.087 0.000 2.498 184 A HA 0.511 4.831 4.320 -0.000 0.000 0.239 184 A C -1.889 175.793 177.584 0.164 0.000 1.068 184 A CA -0.909 51.183 52.037 0.091 0.000 0.766 184 A CB -0.668 18.343 19.000 0.018 0.000 1.003 184 A HN 0.719 nan 8.150 nan 0.000 0.497 185 P HA 0.394 nan 4.420 nan 0.000 0.268 185 P C -0.422 176.981 177.300 0.172 0.000 1.204 185 P CA 0.415 63.581 63.100 0.110 0.000 0.768 185 P CB 0.904 32.645 31.700 0.070 0.000 0.842 186 A N 2.540 125.417 122.820 0.094 0.000 2.515 186 A HA 0.668 4.988 4.320 -0.000 0.000 0.296 186 A C -0.581 176.966 177.584 -0.062 0.000 1.094 186 A CA -0.888 51.151 52.037 0.004 0.000 0.718 186 A CB 1.314 20.165 19.000 -0.249 0.000 1.307 186 A HN 0.389 nan 8.150 nan 0.000 0.408 187 R N 1.867 122.308 120.500 -0.098 0.000 2.343 187 R HA 0.330 4.670 4.340 -0.000 0.000 0.326 187 R C -0.278 175.951 176.300 -0.119 0.000 1.055 187 R CA 0.065 56.117 56.100 -0.081 0.000 0.961 187 R CB -0.358 29.904 30.300 -0.063 0.000 0.978 187 R HN 0.606 nan 8.270 nan 0.000 0.443 188 M N 4.512 124.064 119.600 -0.080 0.000 2.241 188 M HA 0.308 4.788 4.480 -0.000 0.000 0.335 188 M C -0.081 176.184 176.300 -0.059 0.000 1.122 188 M CA 0.107 55.360 55.300 -0.078 0.000 1.164 188 M CB 0.832 33.405 32.600 -0.046 0.000 1.459 188 M HN 0.756 nan 8.290 nan 0.000 0.461 189 M N 1.449 121.017 119.600 -0.053 0.000 2.365 189 M HA 0.366 4.846 4.480 -0.000 0.000 0.287 189 M C -0.897 175.400 176.300 -0.005 0.000 1.154 189 M CA -0.572 54.711 55.300 -0.028 0.000 0.941 189 M CB 2.409 34.991 32.600 -0.031 0.000 1.704 189 M HN 0.721 nan 8.290 nan 0.000 0.479 190 R N 2.393 122.895 120.500 0.004 0.000 2.489 190 R HA 0.075 4.415 4.340 -0.000 0.000 0.287 190 R C -0.823 175.504 176.300 0.046 0.000 1.053 190 R CA 0.076 56.189 56.100 0.021 0.000 1.036 190 R CB 0.351 30.652 30.300 0.002 0.000 0.966 190 R HN 0.740 nan 8.270 nan 0.000 0.432 191 H N 3.061 122.124 119.070 -0.012 0.000 2.767 191 H HA 0.210 4.765 4.556 -0.000 0.000 0.316 191 H C -1.100 174.227 175.328 -0.002 0.000 1.059 191 H CA -0.132 55.915 56.048 -0.002 0.000 1.461 191 H CB 0.714 30.476 29.762 0.000 0.000 1.475 191 H HN 0.197 nan 8.280 nan 0.000 0.531 192 V N 5.378 124.998 119.914 -0.490 0.000 2.384 192 V HA 0.474 4.593 4.120 -0.000 0.000 0.287 192 V C 0.286 176.009 176.094 -0.618 0.000 1.020 192 V CA -0.565 61.472 62.300 -0.439 0.000 0.850 192 V CB 1.046 32.751 31.823 -0.198 0.000 0.987 192 V HN 1.115 nan 8.190 nan 0.000 0.436 193 A N 4.288 126.807 122.820 -0.503 0.000 2.511 193 A HA 0.592 4.912 4.320 -0.000 0.000 0.242 193 A C 0.401 177.865 177.584 -0.199 0.000 1.069 193 A CA 0.301 52.164 52.037 -0.289 0.000 0.763 193 A CB 0.022 18.962 19.000 -0.101 0.000 1.001 193 A HN 0.813 nan 8.150 nan 0.000 0.498 194 T N 1.833 116.275 114.554 -0.187 0.000 2.952 194 T HA 0.653 5.003 4.350 -0.000 0.000 0.305 194 T C -0.522 173.813 174.700 -0.609 0.000 1.064 194 T CA -0.438 61.527 62.100 -0.226 0.000 1.008 194 T CB 1.657 70.491 68.868 -0.056 0.000 1.078 194 T HN 0.726 nan 8.240 nan 0.000 0.459 195 S N 1.101 116.425 115.700 -0.628 0.000 2.651 195 S HA 0.574 5.043 4.470 -0.000 0.000 0.279 195 S C -0.537 173.817 174.600 -0.411 0.000 1.148 195 S CA -1.216 56.401 58.200 -0.971 0.000 0.837 195 S CB 1.618 64.530 63.200 -0.480 0.000 1.138 195 S HN 0.573 nan 8.310 nan 0.000 0.478 196 R N 1.016 121.421 120.500 -0.159 0.000 2.590 196 R HA 0.250 4.590 4.340 -0.000 0.000 0.274 196 R C -0.225 176.082 176.300 0.012 0.000 1.061 196 R CA -0.186 55.961 56.100 0.079 0.000 1.081 196 R CB 0.258 30.672 30.300 0.189 0.000 0.984 196 R HN 0.444 nan 8.270 nan 0.000 0.448 197 Q N 1.339 121.152 119.800 0.022 0.000 2.215 197 Q HA 0.417 4.757 4.340 -0.000 0.000 0.256 197 Q C -0.287 175.728 176.000 0.025 0.000 0.972 197 Q CA -0.502 55.306 55.803 0.009 0.000 0.889 197 Q CB 2.089 30.824 28.738 -0.006 0.000 1.281 197 Q HN 0.790 nan 8.270 nan 0.000 0.456 198 C N -1.424 117.894 119.300 0.032 0.000 3.236 198 C HA 0.774 5.234 4.460 -0.000 0.000 0.312 198 C C -2.535 172.478 174.990 0.039 0.000 1.374 198 C CA -2.204 56.839 59.018 0.042 0.000 1.455 198 C CB 0.207 28.003 27.740 0.094 0.000 1.834 198 C HN 0.586 nan 8.230 nan 0.000 0.460 199 P HA 0.238 nan 4.420 nan 0.000 0.262 199 P C -0.524 176.815 177.300 0.064 0.000 1.182 199 P CA 0.096 63.225 63.100 0.048 0.000 0.761 199 P CB 0.192 31.926 31.700 0.055 0.000 0.795 200 L N 4.243 125.491 121.223 0.041 0.000 2.477 200 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 200 L C 0.553 177.468 176.870 0.075 0.000 1.157 200 L CA 0.759 55.623 54.840 0.040 0.000 0.889 200 L CB -0.146 41.936 42.059 0.039 0.000 1.158 200 L HN 0.316 nan 8.230 nan 0.000 0.473 201 E N 6.167 126.342 120.200 -0.042 0.000 2.212 201 E HA 0.309 4.659 4.350 -0.000 0.000 0.270 201 E C -1.905 174.516 176.600 -0.299 0.000 0.956 201 E CA -1.949 54.410 56.400 -0.069 0.000 0.825 201 E CB 1.072 30.771 29.700 -0.002 0.000 1.167 201 E HN 0.365 nan 8.360 nan 0.000 0.400 202 P HA -0.186 nan 4.420 nan 0.000 0.216 202 P C 1.450 178.300 177.300 -0.750 0.000 1.153 202 P CA 1.538 64.228 63.100 -0.683 0.000 0.858 202 P CB -0.176 31.377 31.700 -0.244 0.000 0.789 203 W N -0.284 120.808 121.300 -0.347 0.000 2.341 203 W HA -0.164 4.495 4.660 -0.000 0.000 0.283 203 W C 1.309 177.689 176.519 -0.231 0.000 1.215 203 W CA 0.961 58.151 57.345 -0.258 0.000 1.211 203 W CB -1.679 27.680 29.460 -0.169 0.000 1.131 203 W HN -0.009 nan 8.180 nan 0.000 0.552 204 M N 0.597 119.547 119.600 -1.084 0.000 2.374 204 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 204 M C 1.126 177.258 176.300 -0.279 0.000 1.067 204 M CA 1.778 56.527 55.300 -0.917 0.000 1.103 204 M CB -0.580 31.494 32.600 -0.877 0.000 1.402 204 M HN 0.207 nan 8.290 nan 0.000 0.444 205 Y N -2.943 117.235 120.300 -0.202 0.000 2.675 205 Y HA 0.469 5.019 4.550 -0.000 0.000 0.248 205 Y C -0.305 175.572 175.900 -0.037 0.000 1.161 205 Y CA -0.822 57.218 58.100 -0.100 0.000 1.203 205 Y CB -0.318 38.084 38.460 -0.097 0.000 1.262 205 Y HN -0.239 nan 8.280 nan 0.000 0.544 206 T N 3.288 117.719 114.554 -0.205 0.000 2.864 206 T HA 0.414 4.763 4.350 -0.000 0.000 0.299 206 T C -0.247 174.443 174.700 -0.016 0.000 1.011 206 T CA -0.766 61.273 62.100 -0.102 0.000 0.975 206 T CB 1.284 70.036 68.868 -0.194 0.000 0.962 206 T HN 0.089 nan 8.240 nan 0.000 0.448 207 R N 2.540 123.050 120.500 0.017 0.000 2.615 207 R HA 0.465 4.805 4.340 -0.000 0.000 0.270 207 R C 0.143 176.453 176.300 0.017 0.000 1.081 207 R CA -0.345 55.772 56.100 0.027 0.000 1.154 207 R CB 0.779 31.096 30.300 0.028 0.000 1.063 207 R HN 0.788 nan 8.270 nan 0.000 0.519 208 D N -2.107 118.302 120.400 0.015 0.000 2.668 208 D HA 0.093 4.733 4.640 -0.000 0.000 0.249 208 D C 0.863 177.166 176.300 0.005 0.000 1.150 208 D CA -0.431 53.573 54.000 0.006 0.000 1.090 208 D CB -0.258 40.541 40.800 -0.002 0.000 1.244 208 D HN 0.412 nan 8.370 nan 0.000 0.636 209 T N -3.265 111.290 114.554 0.002 0.000 3.072 209 T HA 0.054 4.403 4.350 -0.000 0.000 0.266 209 T C 0.743 175.444 174.700 0.003 0.000 1.127 209 T CA 0.279 62.381 62.100 0.003 0.000 1.107 209 T CB -0.363 68.506 68.868 0.003 0.000 0.910 209 T HN 0.253 nan 8.240 nan 0.000 0.513 210 R N 1.361 121.862 120.500 0.001 0.000 2.500 210 R HA 0.421 4.760 4.340 -0.000 0.000 0.277 210 R C 0.037 176.337 176.300 0.001 0.000 1.026 210 R CA -0.644 55.457 56.100 0.001 0.000 1.058 210 R CB 0.693 30.991 30.300 -0.003 0.000 1.078 210 R HN 0.415 nan 8.270 nan 0.000 0.509 211 Q N 1.583 121.382 119.800 -0.003 0.000 2.395 211 Q HA 0.033 4.373 4.340 -0.000 0.000 0.271 211 Q C -0.129 175.868 176.000 -0.005 0.000 1.026 211 Q CA 0.496 56.294 55.803 -0.007 0.000 0.900 211 Q CB 0.858 29.583 28.738 -0.021 0.000 1.266 211 Q HN 0.278 nan 8.270 nan 0.000 0.430 212 R N 1.683 122.183 120.500 0.000 0.000 2.343 212 R HA 0.468 4.808 4.340 -0.000 0.000 0.320 212 R C -1.640 174.659 176.300 -0.002 0.000 0.956 212 R CA -0.400 55.704 56.100 0.006 0.000 0.836 212 R CB 0.986 31.305 30.300 0.032 0.000 1.151 212 R HN 0.400 nan 8.270 nan 0.000 0.450 213 V N 6.478 126.384 119.914 -0.014 0.000 2.487 213 V HA 0.375 4.495 4.120 -0.000 0.000 0.298 213 V C -0.357 175.724 176.094 -0.022 0.000 1.028 213 V CA -0.869 61.417 62.300 -0.024 0.000 0.860 213 V CB 1.698 33.500 31.823 -0.035 0.000 0.991 213 V HN 0.713 nan 8.190 nan 0.000 0.427 214 L N 5.751 126.965 121.223 -0.016 0.000 2.307 214 L HA 0.753 5.093 4.340 -0.000 0.000 0.284 214 L C -1.017 175.841 176.870 -0.020 0.000 1.023 214 L CA -0.403 54.436 54.840 -0.001 0.000 0.810 214 L CB 1.694 43.777 42.059 0.039 0.000 1.231 214 L HN 0.464 nan 8.230 nan 0.000 0.423 215 V N 3.221 123.139 119.914 0.007 0.000 2.448 215 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 215 V C 0.114 176.270 176.094 0.103 0.000 1.025 215 V CA -0.433 61.895 62.300 0.046 0.000 0.859 215 V CB 1.976 33.825 31.823 0.043 0.000 0.988 215 V HN 0.869 nan 8.190 nan 0.000 0.431 216 T N 0.836 115.489 114.554 0.166 0.000 2.856 216 T HA 0.742 5.092 4.350 -0.000 0.000 0.283 216 T C -0.385 174.459 174.700 0.239 0.000 1.008 216 T CA -0.748 61.477 62.100 0.209 0.000 0.997 216 T CB 1.757 70.789 68.868 0.273 0.000 0.992 216 T HN 0.689 nan 8.240 nan 0.000 0.454 217 S N 1.451 117.279 115.700 0.213 0.000 2.382 217 S HA 0.626 5.096 4.470 -0.000 0.000 0.228 217 S C -0.181 174.519 174.600 0.168 0.000 0.996 217 S CA -0.260 58.078 58.200 0.231 0.000 1.094 217 S CB -0.025 63.402 63.200 0.379 0.000 1.209 217 S HN 1.370 nan 8.310 nan 0.000 0.420 228 R N 2.023 122.626 120.500 0.172 0.000 2.393 228 R HA 0.284 4.624 4.340 -0.000 0.000 0.244 228 R C 1.276 177.745 176.300 0.282 0.000 0.920 228 R CA -0.406 55.822 56.100 0.214 0.000 1.076 228 R CB 0.073 30.473 30.300 0.168 0.000 1.119 228 R HN 0.181 nan 8.270 nan 0.000 0.524 229 N N 0.863 119.731 118.700 0.280 0.000 2.272 229 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 229 N C 1.046 176.745 175.510 0.315 0.000 1.014 229 N CA 1.281 54.530 53.050 0.332 0.000 0.870 229 N CB -0.068 38.572 38.487 0.256 0.000 0.975 229 N HN 0.222 nan 8.380 nan 0.000 0.433 230 F N 2.160 122.201 119.950 0.151 0.000 2.179 230 F HA -0.034 4.493 4.527 -0.000 0.000 0.292 230 F C 1.936 177.783 175.800 0.080 0.000 1.089 230 F CA 0.989 59.050 58.000 0.102 0.000 1.295 230 F CB -0.055 38.985 39.000 0.067 0.000 1.041 230 F HN -0.174 nan 8.300 nan 0.000 0.487 231 D N 0.083 120.643 120.400 0.267 0.000 2.123 231 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 231 D C 2.004 178.313 176.300 0.016 0.000 0.992 231 D CA 1.532 55.616 54.000 0.141 0.000 0.833 231 D CB -0.716 40.182 40.800 0.164 0.000 0.954 231 D HN 0.372 nan 8.370 nan 0.000 0.455 232 F N 1.147 121.045 119.950 -0.086 0.000 2.084 232 F HA -0.117 4.410 4.527 -0.000 0.000 0.296 232 F C 2.138 177.804 175.800 -0.224 0.000 1.111 232 F CA 1.155 59.041 58.000 -0.190 0.000 1.224 232 F CB -0.392 38.383 39.000 -0.373 0.000 0.991 232 F HN -0.127 nan 8.300 nan 0.000 0.471 233 L N 0.353 121.421 121.223 -0.260 0.000 1.989 233 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 233 L C 2.842 179.433 176.870 -0.464 0.000 1.071 233 L CA 1.903 56.515 54.840 -0.380 0.000 0.749 233 L CB -0.813 41.146 42.059 -0.167 0.000 0.890 233 L HN 0.173 nan 8.230 nan 0.000 0.431 234 R N 0.134 120.342 120.500 -0.486 0.000 2.103 234 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 234 R C 2.163 178.276 176.300 -0.313 0.000 1.142 234 R CA 1.754 57.603 56.100 -0.419 0.000 0.960 234 R CB -0.510 29.512 30.300 -0.463 0.000 0.858 234 R HN 0.446 nan 8.270 nan 0.000 0.439 235 G N 1.239 109.848 108.800 -0.318 0.000 2.414 235 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.215 235 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.215 235 G C 1.336 176.048 174.900 -0.313 0.000 1.188 235 G CA 0.628 45.572 45.100 -0.260 0.000 0.783 235 G HN 0.328 nan 8.290 nan 0.000 0.537 236 L N 1.467 122.384 121.223 -0.510 0.000 2.042 236 L HA 0.111 4.451 4.340 -0.000 0.000 0.210 236 L C 3.047 179.731 176.870 -0.310 0.000 1.076 236 L CA 2.280 56.827 54.840 -0.488 0.000 0.749 236 L CB -0.751 40.794 42.059 -0.856 0.000 0.893 236 L HN 0.242 nan 8.230 nan 0.000 0.432 237 A N -0.659 121.973 122.820 -0.313 0.000 1.877 237 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 237 A C 2.368 179.849 177.584 -0.172 0.000 1.186 237 A CA 2.011 53.916 52.037 -0.220 0.000 0.620 237 A CB -0.626 18.239 19.000 -0.225 0.000 0.822 237 A HN 0.465 nan 8.150 nan 0.000 0.443 238 K N -0.001 120.293 120.400 -0.177 0.000 2.034 238 K HA -0.221 4.099 4.320 -0.000 0.000 0.214 238 K C 1.727 178.248 176.600 -0.133 0.000 1.051 238 K CA 2.155 58.355 56.287 -0.144 0.000 0.931 238 K CB -0.266 32.152 32.500 -0.137 0.000 0.715 238 K HN 0.565 nan 8.250 nan 0.000 0.446 239 D N 0.253 120.573 120.400 -0.133 0.000 2.087 239 D HA -0.184 4.456 4.640 -0.000 0.000 0.192 239 D C 1.930 178.198 176.300 -0.053 0.000 0.993 239 D CA 1.200 55.140 54.000 -0.101 0.000 0.828 239 D CB -0.343 40.414 40.800 -0.072 0.000 0.968 239 D HN 0.035 nan 8.370 nan 0.000 0.448 240 L N 0.950 122.153 121.223 -0.033 0.000 2.042 240 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 240 L C 2.668 179.550 176.870 0.021 0.000 1.076 240 L CA 0.864 55.722 54.840 0.029 0.000 0.749 240 L CB -1.149 40.896 42.059 -0.023 0.000 0.893 240 L HN -0.059 nan 8.230 nan 0.000 0.432 241 V N -0.535 119.352 119.914 -0.047 0.000 2.469 241 V HA -0.297 3.822 4.120 -0.000 0.000 0.251 241 V C 2.730 178.788 176.094 -0.060 0.000 1.064 241 V CA 1.479 63.745 62.300 -0.057 0.000 1.066 241 V CB -0.545 31.226 31.823 -0.087 0.000 0.667 241 V HN 0.441 nan 8.190 nan 0.000 0.461 242 R N -1.678 118.758 120.500 -0.106 0.000 2.120 242 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 242 R C 1.790 177.978 176.300 -0.186 0.000 1.123 242 R CA 1.638 57.622 56.100 -0.192 0.000 0.975 242 R CB -0.268 29.843 30.300 -0.315 0.000 0.866 242 R HN 0.585 nan 8.270 nan 0.000 0.446 243 W N 0.697 121.965 121.300 -0.053 0.000 3.405 243 W HA -0.007 4.653 4.660 -0.000 0.000 0.300 243 W C 0.023 176.516 176.519 -0.043 0.000 1.286 243 W CA -0.312 57.007 57.345 -0.045 0.000 1.762 243 W CB 0.180 29.614 29.460 -0.044 0.000 1.087 243 W HN 0.158 nan 8.180 nan 0.000 0.703 244 D N -0.225 120.258 120.400 0.139 0.000 2.800 244 D HA -0.183 4.457 4.640 -0.000 0.000 0.232 244 D C -0.491 175.845 176.300 0.060 0.000 1.137 244 D CA 0.438 54.482 54.000 0.074 0.000 0.718 244 D CB -1.138 39.706 40.800 0.073 0.000 1.084 244 D HN -0.117 nan 8.370 nan 0.000 0.432 245 V N 0.757 120.707 119.914 0.061 0.000 2.644 245 V HA 0.219 4.338 4.120 -0.000 0.000 0.295 245 V C 0.826 176.912 176.094 -0.013 0.000 1.053 245 V CA -0.381 61.934 62.300 0.026 0.000 0.987 245 V CB 1.759 33.603 31.823 0.035 0.000 1.006 245 V HN 0.212 nan 8.190 nan 0.000 0.472 246 E N 3.572 123.757 120.200 -0.025 0.000 2.052 246 E HA 0.253 4.603 4.350 -0.000 0.000 0.283 246 E C -1.175 175.384 176.600 -0.069 0.000 1.071 246 E CA -0.622 55.745 56.400 -0.054 0.000 0.851 246 E CB 0.909 30.583 29.700 -0.044 0.000 1.066 246 E HN 0.459 nan 8.360 nan 0.000 0.396 247 L N 6.536 127.701 121.223 -0.097 0.000 2.264 247 L HA 0.440 4.780 4.340 -0.000 0.000 0.289 247 L C -1.031 175.748 176.870 -0.152 0.000 1.044 247 L CA -0.267 54.510 54.840 -0.105 0.000 0.807 247 L CB 1.072 43.068 42.059 -0.105 0.000 1.192 247 L HN 0.519 nan 8.230 nan 0.000 0.425 248 I N 5.919 126.413 120.570 -0.126 0.000 2.382 248 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 248 I C -0.857 175.209 176.117 -0.085 0.000 1.002 248 I CA -0.718 60.488 61.300 -0.157 0.000 1.135 248 I CB 1.800 39.741 38.000 -0.098 0.000 1.288 248 I HN 0.219 nan 8.210 nan 0.000 0.448 249 V N 5.685 125.539 119.914 -0.099 0.000 2.370 249 V HA 0.528 4.648 4.120 -0.000 0.000 0.283 249 V C 0.420 176.516 176.094 0.004 0.000 1.023 249 V CA -0.580 61.695 62.300 -0.041 0.000 0.857 249 V CB 1.591 33.375 31.823 -0.064 0.000 0.985 249 V HN 0.810 nan 8.190 nan 0.000 0.443 250 A N 4.612 127.468 122.820 0.061 0.000 2.621 250 A HA 0.834 5.154 4.320 -0.000 0.000 0.329 250 A C 0.290 177.944 177.584 0.115 0.000 1.458 250 A CA -0.043 52.056 52.037 0.103 0.000 1.052 250 A CB 0.096 19.173 19.000 0.128 0.000 1.142 250 A HN 1.150 nan 8.150 nan 0.000 0.523 251 A N 3.473 126.360 122.820 0.112 0.000 2.386 251 A HA 0.932 5.252 4.320 -0.000 0.000 0.308 251 A C -2.819 174.848 177.584 0.139 0.000 1.128 251 A CA -1.754 50.358 52.037 0.125 0.000 0.789 251 A CB 0.523 19.591 19.000 0.113 0.000 1.325 251 A HN 0.533 nan 8.150 nan 0.000 0.437 252 P HA 0.201 nan 4.420 nan 0.000 0.272 252 P C -0.289 177.091 177.300 0.133 0.000 1.223 252 P CA -0.301 62.876 63.100 0.128 0.000 0.784 252 P CB 0.524 32.289 31.700 0.108 0.000 0.923 253 D N 0.047 120.524 120.400 0.128 0.000 2.265 253 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 253 D C 1.517 177.878 176.300 0.101 0.000 0.977 253 D CA 1.659 55.735 54.000 0.126 0.000 0.871 253 D CB -0.864 39.998 40.800 0.103 0.000 0.925 253 D HN 0.508 nan 8.370 nan 0.000 0.485 254 T N -0.945 113.662 114.554 0.088 0.000 2.881 254 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 254 T C 1.954 176.702 174.700 0.080 0.000 1.068 254 T CA 1.452 63.593 62.100 0.070 0.000 1.131 254 T CB -0.375 68.528 68.868 0.058 0.000 0.871 254 T HN 0.223 nan 8.240 nan 0.000 0.479 255 V N -2.481 117.507 119.914 0.122 0.000 3.556 255 V HA 0.708 4.828 4.120 -0.000 0.000 0.287 255 V C 2.694 178.907 176.094 0.197 0.000 1.422 255 V CA -0.133 62.271 62.300 0.175 0.000 1.038 255 V CB -0.815 31.175 31.823 0.278 0.000 0.850 255 V HN 0.434 nan 8.190 nan 0.000 0.437 256 A N 1.844 124.755 122.820 0.152 0.000 1.881 256 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 256 A C 2.115 179.769 177.584 0.118 0.000 1.215 256 A CA 2.713 54.829 52.037 0.132 0.000 0.648 256 A CB -0.734 18.355 19.000 0.148 0.000 0.832 256 A HN 0.661 nan 8.150 nan 0.000 0.455 257 E N -0.528 119.738 120.200 0.111 0.000 2.153 257 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 257 E C 2.283 178.941 176.600 0.098 0.000 0.988 257 E CA 0.909 57.362 56.400 0.089 0.000 0.811 257 E CB -0.310 29.434 29.700 0.073 0.000 0.746 257 E HN 0.653 nan 8.360 nan 0.000 0.466 258 A N 1.366 124.268 122.820 0.137 0.000 1.930 258 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 258 A C 2.171 179.931 177.584 0.294 0.000 1.175 258 A CA 0.730 52.881 52.037 0.189 0.000 0.627 258 A CB -0.477 18.606 19.000 0.139 0.000 0.815 258 A HN 0.161 nan 8.150 nan 0.000 0.443 259 L N -1.166 120.224 121.223 0.279 0.000 2.044 259 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 259 L C 2.854 179.732 176.870 0.013 0.000 1.075 259 L CA 1.087 55.982 54.840 0.091 0.000 0.747 259 L CB -0.341 41.720 42.059 0.004 0.000 0.903 259 L HN 0.369 nan 8.230 nan 0.000 0.435 260 R N -0.466 120.046 120.500 0.019 0.000 2.112 260 R HA -0.266 4.074 4.340 -0.000 0.000 0.242 260 R C 2.222 178.519 176.300 -0.006 0.000 1.137 260 R CA 1.814 57.905 56.100 -0.014 0.000 0.944 260 R CB -0.604 29.694 30.300 -0.003 0.000 0.857 260 R HN 0.463 nan 8.270 nan 0.000 0.435 261 A N 0.553 123.390 122.820 0.028 0.000 1.940 261 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 261 A C 1.935 179.529 177.584 0.017 0.000 1.176 261 A CA 1.719 53.771 52.037 0.025 0.000 0.631 261 A CB -0.308 18.718 19.000 0.043 0.000 0.814 261 A HN 0.293 nan 8.150 nan 0.000 0.446 262 E N -0.876 119.342 120.200 0.029 0.000 2.033 262 E HA 0.018 4.368 4.350 -0.000 0.000 0.189 262 E C 0.113 176.688 176.600 -0.041 0.000 0.979 262 E CA 1.131 57.535 56.400 0.007 0.000 0.802 262 E CB 0.115 29.827 29.700 0.019 0.000 0.763 262 E HN 0.222 nan 8.360 nan 0.000 0.449 263 V N 2.371 122.245 119.914 -0.067 0.000 2.235 263 V HA 0.181 4.301 4.120 -0.000 0.000 0.266 263 V C -2.184 173.858 176.094 -0.087 0.000 1.055 263 V CA -0.909 61.336 62.300 -0.091 0.000 0.844 263 V CB 1.016 32.762 31.823 -0.128 0.000 1.097 263 V HN 0.142 nan 8.190 nan 0.000 0.453 264 P HA -0.038 nan 4.420 nan 0.000 0.233 264 P C 1.248 178.492 177.300 -0.093 0.000 1.167 264 P CA 0.667 63.722 63.100 -0.074 0.000 0.770 264 P CB 0.365 32.031 31.700 -0.056 0.000 0.837 265 Q N -0.285 119.457 119.800 -0.097 0.000 2.245 265 Q HA 0.112 4.452 4.340 -0.000 0.000 0.201 265 Q C 1.042 176.962 176.000 -0.134 0.000 0.955 265 Q CA 0.505 56.245 55.803 -0.106 0.000 0.870 265 Q CB -0.755 27.927 28.738 -0.093 0.000 0.945 265 Q HN 0.146 nan 8.270 nan 0.000 0.461 266 A N 1.083 123.819 122.820 -0.141 0.000 2.388 266 A HA 0.276 4.596 4.320 -0.000 0.000 0.257 266 A C -0.270 177.185 177.584 -0.215 0.000 1.095 266 A CA -0.367 51.569 52.037 -0.168 0.000 0.791 266 A CB 0.255 19.162 19.000 -0.154 0.000 1.029 266 A HN 0.212 nan 8.150 nan 0.000 0.489 267 R N 2.165 122.493 120.500 -0.288 0.000 2.210 267 R HA 0.446 4.786 4.340 -0.000 0.000 0.338 267 R C -1.545 174.550 176.300 -0.341 0.000 1.062 267 R CA -0.083 55.773 56.100 -0.407 0.000 0.902 267 R CB 0.219 30.126 30.300 -0.654 0.000 1.050 267 R HN 0.439 nan 8.270 nan 0.000 0.461 268 V N 5.196 124.938 119.914 -0.288 0.000 2.376 268 V HA 0.690 4.810 4.120 -0.000 0.000 0.287 268 V C 0.590 176.565 176.094 -0.197 0.000 1.015 268 V CA 0.005 62.196 62.300 -0.181 0.000 0.834 268 V CB 1.029 32.793 31.823 -0.099 0.000 1.001 268 V HN 1.098 nan 8.190 nan 0.000 0.428 269 G N 3.599 112.302 108.800 -0.162 0.000 2.601 269 G HA2 0.124 4.084 3.960 -0.000 0.000 0.080 269 G HA3 0.124 4.084 3.960 -0.000 0.000 0.080 269 G C -1.836 173.124 174.900 0.101 0.000 1.046 269 G CA -0.590 44.430 45.100 -0.134 0.000 1.143 269 G HN 0.410 nan 8.290 nan 0.000 0.507 270 W N 2.633 124.022 121.300 0.149 0.000 2.357 270 W HA 0.651 5.311 4.660 -0.000 0.000 0.317 270 W C -0.686 175.975 176.519 0.237 0.000 1.101 270 W CA -0.845 56.597 57.345 0.161 0.000 1.380 270 W CB -0.206 29.340 29.460 0.145 0.000 1.266 270 W HN 0.353 nan 8.180 nan 0.000 0.419 271 T N 3.725 118.476 114.554 0.328 0.000 3.077 271 T HA 0.220 4.570 4.350 -0.000 0.000 0.359 271 T C -2.523 172.270 174.700 0.155 0.000 1.108 271 T CA -1.208 61.056 62.100 0.275 0.000 1.170 271 T CB 1.599 70.624 68.868 0.263 0.000 1.045 271 T HN 0.026 nan 8.240 nan 0.000 0.505 272 P HA 0.209 nan 4.420 nan 0.000 0.276 272 P C 0.867 178.161 177.300 -0.010 0.000 1.264 272 P CA -0.600 62.503 63.100 0.006 0.000 0.769 272 P CB 1.012 32.698 31.700 -0.024 0.000 0.840 273 L N 4.118 125.327 121.223 -0.023 0.000 2.042 273 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 273 L C 1.819 178.679 176.870 -0.015 0.000 1.076 273 L CA 2.258 57.102 54.840 0.007 0.000 0.749 273 L CB -0.959 41.110 42.059 0.017 0.000 0.893 273 L HN 0.357 nan 8.230 nan 0.000 0.432 274 D N -1.405 118.953 120.400 -0.070 0.000 2.149 274 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 274 D C 1.960 178.230 176.300 -0.050 0.000 0.990 274 D CA 1.766 55.724 54.000 -0.069 0.000 0.839 274 D CB -0.897 39.833 40.800 -0.115 0.000 0.948 274 D HN 0.290 nan 8.370 nan 0.000 0.460 275 V N 0.244 120.125 119.914 -0.055 0.000 2.346 275 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 275 V C 2.728 178.797 176.094 -0.042 0.000 1.037 275 V CA 1.176 63.444 62.300 -0.055 0.000 1.029 275 V CB -0.052 31.726 31.823 -0.074 0.000 0.663 275 V HN 0.140 nan 8.190 nan 0.000 0.454 276 V N 0.102 119.997 119.914 -0.030 0.000 2.535 276 V HA -0.032 4.088 4.120 -0.000 0.000 0.246 276 V C 2.662 178.780 176.094 0.039 0.000 1.045 276 V CA 1.308 63.606 62.300 -0.004 0.000 1.058 276 V CB -0.861 30.990 31.823 0.047 0.000 0.689 276 V HN 0.490 nan 8.190 nan 0.000 0.461 277 A N 1.129 123.976 122.820 0.044 0.000 1.892 277 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 277 A C 0.427 178.038 177.584 0.045 0.000 1.188 277 A CA 2.313 54.384 52.037 0.057 0.000 0.631 277 A CB -1.990 17.053 19.000 0.071 0.000 0.822 277 A HN 0.533 nan 8.150 nan 0.000 0.447 278 P HA -0.041 nan 4.420 nan 0.000 0.228 278 P C 1.075 178.395 177.300 0.032 0.000 1.151 278 P CA 1.359 64.476 63.100 0.029 0.000 0.770 278 P CB -0.060 31.650 31.700 0.017 0.000 0.786 279 T N -2.015 112.561 114.554 0.037 0.000 3.060 279 T HA 0.081 4.431 4.350 -0.000 0.000 0.249 279 T C 0.658 175.387 174.700 0.048 0.000 1.079 279 T CA 0.156 62.282 62.100 0.043 0.000 1.013 279 T CB -0.301 68.594 68.868 0.044 0.000 0.975 279 T HN 0.094 nan 8.240 nan 0.000 0.518 280 C N 1.864 121.191 119.300 0.045 0.000 2.382 280 C HA 0.353 4.813 4.460 -0.000 0.000 0.363 280 C C 1.533 176.537 174.990 0.023 0.000 1.213 280 C CA -0.886 58.154 59.018 0.038 0.000 2.363 280 C CB 1.087 28.849 27.740 0.035 0.000 2.397 280 C HN 0.455 nan 8.230 nan 0.000 0.573 281 D N -0.093 120.314 120.400 0.012 0.000 2.327 281 D HA 0.172 4.812 4.640 -0.000 0.000 0.205 281 D C -0.135 176.160 176.300 -0.008 0.000 0.989 281 D CA 0.809 54.811 54.000 0.003 0.000 0.873 281 D CB 0.288 41.085 40.800 -0.005 0.000 0.955 281 D HN 0.346 nan 8.370 nan 0.000 0.515 282 L N 0.527 121.738 121.223 -0.019 0.000 2.513 282 L HA 0.364 4.704 4.340 -0.000 0.000 0.261 282 L C -2.017 174.817 176.870 -0.060 0.000 0.945 282 L CA -0.598 54.217 54.840 -0.043 0.000 0.848 282 L CB 1.899 43.924 42.059 -0.057 0.000 1.334 282 L HN -0.255 nan 8.230 nan 0.000 0.407 283 L N 5.020 126.182 121.223 -0.101 0.000 2.329 283 L HA 0.789 5.129 4.340 -0.000 0.000 0.279 283 L C -0.919 175.772 176.870 -0.299 0.000 1.014 283 L CA -1.113 53.599 54.840 -0.212 0.000 0.814 283 L CB 2.003 43.884 42.059 -0.297 0.000 1.257 283 L HN 0.332 nan 8.230 nan 0.000 0.424 284 V N 1.555 121.301 119.914 -0.280 0.000 2.407 284 V HA 0.362 4.482 4.120 -0.000 0.000 0.291 284 V C -0.870 175.146 176.094 -0.130 0.000 1.018 284 V CA -0.554 61.659 62.300 -0.146 0.000 0.842 284 V CB 1.308 33.142 31.823 0.018 0.000 0.996 284 V HN 0.671 nan 8.190 nan 0.000 0.426 285 H N 3.081 122.206 119.070 0.092 0.000 2.589 285 H HA 0.598 5.154 4.556 -0.000 0.000 0.335 285 H C -0.752 174.616 175.328 0.067 0.000 1.019 285 H CA -0.542 55.553 56.048 0.079 0.000 1.213 285 H CB 1.512 31.298 29.762 0.040 0.000 1.472 285 H HN 0.795 nan 8.280 nan 0.000 0.508 286 H N 2.391 121.488 119.070 0.045 0.000 2.495 286 H HA 0.612 5.168 4.556 -0.000 0.000 0.348 286 H C 0.572 175.833 175.328 -0.112 0.000 1.113 286 H CA 0.376 56.318 56.048 -0.176 0.000 1.195 286 H CB 1.092 30.564 29.762 -0.482 0.000 1.521 286 H HN 0.846 nan 8.280 nan 0.000 0.509 287 A N 2.917 125.316 122.820 -0.702 0.000 1.347 287 A HA 0.087 4.407 4.320 -0.000 0.000 0.220 287 A C 1.328 178.788 177.584 -0.206 0.000 0.455 287 A CA 1.241 52.974 52.037 -0.507 0.000 1.100 287 A CB -2.390 16.335 19.000 -0.458 0.000 1.467 287 A HN 2.155 nan 8.150 nan 0.000 0.721 288 G N -3.789 104.933 108.800 -0.129 0.000 2.339 288 G HA2 0.616 4.575 3.960 -0.000 0.000 0.381 288 G HA3 0.616 4.575 3.960 -0.000 0.000 0.381 288 G C 0.513 175.378 174.900 -0.058 0.000 1.400 288 G CA 0.957 46.011 45.100 -0.077 0.000 1.002 288 G HN 2.741 nan 8.290 nan 0.000 0.633 289 G N -1.887 106.873 108.800 -0.067 0.000 3.038 289 G HA2 0.133 4.093 3.960 -0.000 0.000 0.197 289 G HA3 0.133 4.093 3.960 -0.000 0.000 0.197 289 G C 0.520 175.374 174.900 -0.076 0.000 1.925 289 G CA 0.698 45.762 45.100 -0.060 0.000 1.405 289 G HN 1.959 nan 8.290 nan 0.000 0.524 290 V N 2.250 122.104 119.914 -0.100 0.000 2.715 290 V HA 0.543 4.663 4.120 -0.000 0.000 0.299 290 V C 1.191 177.145 176.094 -0.233 0.000 1.054 290 V CA 0.567 62.767 62.300 -0.167 0.000 1.077 290 V CB 1.520 33.150 31.823 -0.323 0.000 0.972 290 V HN 0.617 nan 8.190 nan 0.000 0.484 291 S N 2.179 117.772 115.700 -0.179 0.000 2.531 291 S HA 0.094 4.564 4.470 -0.000 0.000 0.279 291 S C 1.475 175.931 174.600 -0.239 0.000 1.305 291 S CA 0.051 58.136 58.200 -0.192 0.000 1.058 291 S CB 0.845 63.915 63.200 -0.215 0.000 0.899 291 S HN 1.102 nan 8.310 nan 0.000 0.493 292 T N 3.637 118.083 114.554 -0.180 0.000 3.035 292 T HA 0.005 4.355 4.350 -0.000 0.000 0.268 292 T C 1.674 176.332 174.700 -0.070 0.000 1.109 292 T CA 0.701 62.752 62.100 -0.081 0.000 1.119 292 T CB -0.351 68.507 68.868 -0.017 0.000 0.900 292 T HN 0.614 nan 8.240 nan 0.000 0.503 293 L N 1.657 122.772 121.223 -0.181 0.000 2.201 293 L HA -0.026 4.314 4.340 -0.000 0.000 0.212 293 L C 3.269 180.098 176.870 -0.069 0.000 1.105 293 L CA 1.603 56.305 54.840 -0.231 0.000 0.775 293 L CB -1.167 40.581 42.059 -0.519 0.000 0.913 293 L HN 0.509 nan 8.230 nan 0.000 0.440 294 T N -1.586 112.972 114.554 0.007 0.000 2.812 294 T HA -0.092 4.258 4.350 -0.000 0.000 0.264 294 T C 1.949 176.732 174.700 0.139 0.000 1.042 294 T CA 1.222 63.453 62.100 0.218 0.000 1.140 294 T CB -0.454 68.560 68.868 0.244 0.000 0.870 294 T HN 0.365 nan 8.240 nan 0.000 0.445 295 G N 1.633 110.513 108.800 0.133 0.000 2.446 295 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 295 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 295 G C 1.618 176.571 174.900 0.089 0.000 1.168 295 G CA 0.942 46.123 45.100 0.136 0.000 0.771 295 G HN 0.544 nan 8.290 nan 0.000 0.551 296 L N 1.416 122.679 121.223 0.067 0.000 2.046 296 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 296 L C 3.330 180.228 176.870 0.047 0.000 1.077 296 L CA 1.569 56.431 54.840 0.037 0.000 0.747 296 L CB -0.447 41.605 42.059 -0.011 0.000 0.896 296 L HN 0.458 nan 8.230 nan 0.000 0.432 297 S N -0.025 115.723 115.700 0.080 0.000 2.402 297 S HA -0.111 4.358 4.470 -0.000 0.000 0.229 297 S C 2.015 176.647 174.600 0.053 0.000 1.021 297 S CA 0.775 59.022 58.200 0.078 0.000 0.974 297 S CB -0.304 62.973 63.200 0.128 0.000 0.800 297 S HN 0.336 nan 8.310 nan 0.000 0.484 298 A N 0.945 123.800 122.820 0.059 0.000 2.167 298 A HA 0.511 4.831 4.320 -0.000 0.000 0.214 298 A C 1.817 179.427 177.584 0.044 0.000 1.151 298 A CA 0.675 52.739 52.037 0.046 0.000 0.735 298 A CB -1.281 17.749 19.000 0.051 0.000 0.802 298 A HN 1.607 nan 8.150 nan 0.000 0.467 299 G N -1.110 107.720 108.800 0.049 0.000 2.198 299 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.257 299 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.257 299 G C -0.003 174.930 174.900 0.055 0.000 1.042 299 G CA 0.249 45.380 45.100 0.051 0.000 0.791 299 G HN 0.844 nan 8.290 nan 0.000 0.502 300 V N 0.859 120.806 119.914 0.055 0.000 2.427 300 V HA 0.472 4.592 4.120 -0.000 0.000 0.286 300 V C -1.444 174.681 176.094 0.051 0.000 1.034 300 V CA -1.803 60.526 62.300 0.048 0.000 0.893 300 V CB 1.793 33.640 31.823 0.039 0.000 0.982 300 V HN 0.120 nan 8.190 nan 0.000 0.452 301 P HA 0.216 nan 4.420 nan 0.000 0.269 301 P C -0.829 176.467 177.300 -0.008 0.000 1.215 301 P CA -0.072 63.053 63.100 0.041 0.000 0.780 301 P CB 0.415 32.131 31.700 0.027 0.000 0.898 302 Q N 0.606 120.396 119.800 -0.017 0.000 2.389 302 Q HA 0.581 4.921 4.340 -0.000 0.000 0.277 302 Q C -1.370 174.593 176.000 -0.062 0.000 1.082 302 Q CA -1.050 54.728 55.803 -0.042 0.000 0.810 302 Q CB 2.202 30.960 28.738 0.034 0.000 1.374 302 Q HN 0.224 nan 8.270 nan 0.000 0.422 303 L N 2.988 124.167 121.223 -0.073 0.000 2.265 303 L HA 0.458 4.798 4.340 -0.000 0.000 0.289 303 L C -1.714 175.165 176.870 0.014 0.000 1.033 303 L CA -0.134 54.681 54.840 -0.042 0.000 0.814 303 L CB 0.680 42.717 42.059 -0.036 0.000 1.203 303 L HN 0.527 nan 8.230 nan 0.000 0.423 304 L N 6.883 128.132 121.223 0.043 0.000 2.287 304 L HA 0.496 4.836 4.340 -0.000 0.000 0.287 304 L C -0.324 176.581 176.870 0.058 0.000 1.022 304 L CA -0.315 54.572 54.840 0.079 0.000 0.814 304 L CB 1.327 43.437 42.059 0.084 0.000 1.217 304 L HN 0.551 nan 8.230 nan 0.000 0.420 305 I N 4.989 125.594 120.570 0.058 0.000 2.692 305 I HA 0.248 4.417 4.170 -0.000 0.000 0.285 305 I C -2.181 173.924 176.117 -0.021 0.000 1.191 305 I CA -1.588 59.733 61.300 0.035 0.000 1.128 305 I CB 0.704 38.739 38.000 0.057 0.000 1.585 305 I HN 0.348 nan 8.210 nan 0.000 0.558 306 P HA 0.162 nan 4.420 nan 0.000 0.275 306 P C -0.907 176.352 177.300 -0.068 0.000 1.228 306 P CA -0.294 62.778 63.100 -0.047 0.000 0.786 306 P CB 1.187 32.879 31.700 -0.014 0.000 0.927 307 K N 1.756 122.099 120.400 -0.095 0.000 2.604 307 K HA 0.605 4.925 4.320 -0.000 0.000 0.247 307 K C -0.111 176.460 176.600 -0.047 0.000 0.956 307 K CA -0.468 55.769 56.287 -0.083 0.000 0.896 307 K CB 1.606 34.021 32.500 -0.141 0.000 1.131 307 K HN 0.910 nan 8.250 nan 0.000 0.440 308 G N 1.043 109.829 108.800 -0.023 0.000 3.160 308 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.573 308 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.573 308 G C 0.562 175.465 174.900 0.006 0.000 1.286 308 G CA -0.150 44.951 45.100 0.001 0.000 1.151 308 G HN 0.407 nan 8.290 nan 0.000 0.555 309 S N 0.847 116.552 115.700 0.009 0.000 2.419 309 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 309 S C 2.365 176.976 174.600 0.019 0.000 1.019 309 S CA 2.172 60.379 58.200 0.012 0.000 0.982 309 S CB -0.044 63.163 63.200 0.012 0.000 0.789 309 S HN 1.266 nan 8.310 nan 0.000 0.490 310 V N 1.560 121.491 119.914 0.028 0.000 2.594 310 V HA -0.063 4.057 4.120 -0.000 0.000 0.253 310 V C 2.204 178.308 176.094 0.017 0.000 1.069 310 V CA 1.746 64.062 62.300 0.027 0.000 1.082 310 V CB -0.634 31.214 31.823 0.042 0.000 0.680 310 V HN 0.576 nan 8.190 nan 0.000 0.469 311 L N -1.184 120.046 121.223 0.012 0.000 2.529 311 L HA 0.084 4.424 4.340 -0.000 0.000 0.223 311 L C 2.202 179.077 176.870 0.007 0.000 1.113 311 L CA 0.393 55.236 54.840 0.004 0.000 0.861 311 L CB -0.375 41.679 42.059 -0.009 0.000 1.012 311 L HN 0.322 nan 8.230 nan 0.000 0.461 312 E N 1.206 121.412 120.200 0.010 0.000 2.028 312 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 312 E C 2.402 179.015 176.600 0.021 0.000 0.984 312 E CA 1.194 57.603 56.400 0.015 0.000 0.800 312 E CB -0.117 29.591 29.700 0.014 0.000 0.758 312 E HN 0.463 nan 8.360 nan 0.000 0.448 313 A N 2.081 124.914 122.820 0.021 0.000 1.908 313 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 313 A C -0.226 177.375 177.584 0.028 0.000 1.181 313 A CA 1.364 53.416 52.037 0.025 0.000 0.627 313 A CB -1.483 17.531 19.000 0.023 0.000 0.818 313 A HN 0.199 nan 8.150 nan 0.000 0.445 314 P HA -0.072 nan 4.420 nan 0.000 0.219 314 P C 1.454 178.770 177.300 0.026 0.000 1.150 314 P CA 1.780 64.893 63.100 0.021 0.000 0.814 314 P CB -0.089 31.618 31.700 0.013 0.000 0.787 315 A N 0.582 123.419 122.820 0.028 0.000 1.930 315 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 315 A C 2.383 179.997 177.584 0.051 0.000 1.176 315 A CA 0.772 52.832 52.037 0.037 0.000 0.632 315 A CB -0.926 18.094 19.000 0.033 0.000 0.819 315 A HN 0.040 nan 8.150 nan 0.000 0.445 316 R N -0.667 119.861 120.500 0.046 0.000 2.091 316 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 316 R C 2.426 178.766 176.300 0.068 0.000 1.136 316 R CA 1.607 57.740 56.100 0.055 0.000 0.959 316 R CB -0.322 30.004 30.300 0.044 0.000 0.856 316 R HN 0.463 nan 8.270 nan 0.000 0.437 317 R N 0.512 121.049 120.500 0.062 0.000 2.091 317 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 317 R C 2.220 178.584 176.300 0.106 0.000 1.136 317 R CA 1.405 57.550 56.100 0.075 0.000 0.959 317 R CB -0.168 30.164 30.300 0.054 0.000 0.856 317 R HN 0.053 nan 8.270 nan 0.000 0.437 318 V N 0.451 120.417 119.914 0.086 0.000 2.427 318 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 318 V C 2.324 178.521 176.094 0.172 0.000 1.051 318 V CA 1.846 64.211 62.300 0.107 0.000 1.048 318 V CB -0.620 31.241 31.823 0.063 0.000 0.666 318 V HN 0.472 nan 8.190 nan 0.000 0.456 319 A N -0.154 122.751 122.820 0.142 0.000 1.898 319 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 319 A C 2.026 179.703 177.584 0.155 0.000 1.181 319 A CA 1.928 54.060 52.037 0.159 0.000 0.620 319 A CB -0.618 18.453 19.000 0.119 0.000 0.819 319 A HN 0.492 nan 8.150 nan 0.000 0.442 320 D N -1.777 118.699 120.400 0.127 0.000 2.144 320 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 320 D C 1.616 177.977 176.300 0.101 0.000 0.984 320 D CA 1.313 55.371 54.000 0.096 0.000 0.834 320 D CB -0.368 40.483 40.800 0.085 0.000 0.955 320 D HN 0.605 nan 8.370 nan 0.000 0.465 321 Y N 0.130 120.453 120.300 0.039 0.000 2.224 321 Y HA -0.073 4.477 4.550 -0.000 0.000 0.289 321 Y C 1.603 177.520 175.900 0.028 0.000 1.146 321 Y CA 2.013 60.132 58.100 0.031 0.000 1.182 321 Y CB 0.172 38.654 38.460 0.036 0.000 0.983 321 Y HN 0.095 nan 8.280 nan 0.000 0.524 322 G N -1.671 107.238 108.800 0.182 0.000 2.175 322 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.182 322 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.182 322 G C 0.815 175.871 174.900 0.261 0.000 1.003 322 G CA 0.077 45.236 45.100 0.098 0.000 0.666 322 G HN 0.815 nan 8.290 nan 0.000 0.506 323 A N -0.702 122.335 122.820 0.361 0.000 2.275 323 A HA 0.881 5.201 4.320 -0.000 0.000 0.212 323 A C 1.122 178.867 177.584 0.268 0.000 1.201 323 A CA 1.502 53.732 52.037 0.322 0.000 0.843 323 A CB -0.022 19.126 19.000 0.248 0.000 0.873 323 A HN 2.201 nan 8.150 nan 0.000 0.492 324 A N -0.894 122.090 122.820 0.274 0.000 2.601 324 A HA 0.691 5.011 4.320 -0.000 0.000 0.291 324 A C -1.299 176.326 177.584 0.068 0.000 1.075 324 A CA -0.481 51.615 52.037 0.099 0.000 0.671 324 A CB 0.566 19.618 19.000 0.086 0.000 1.277 324 A HN 0.187 nan 8.150 nan 0.000 0.417 325 I N 0.694 121.223 120.570 -0.068 0.000 2.441 325 I HA 0.608 4.778 4.170 -0.000 0.000 0.295 325 I C 0.372 176.495 176.117 0.011 0.000 0.994 325 I CA -0.603 60.682 61.300 -0.025 0.000 1.144 325 I CB 2.055 39.986 38.000 -0.115 0.000 1.314 325 I HN 0.782 nan 8.210 nan 0.000 0.445 326 A N 7.724 130.568 122.820 0.039 0.000 2.273 326 A HA 0.708 5.028 4.320 -0.000 0.000 0.315 326 A C -0.756 176.850 177.584 0.037 0.000 1.256 326 A CA -0.468 51.594 52.037 0.041 0.000 0.851 326 A CB 0.496 19.525 19.000 0.049 0.000 1.172 326 A HN 0.680 nan 8.150 nan 0.000 0.508 327 L N 3.799 125.043 121.223 0.036 0.000 2.262 327 L HA 0.317 4.656 4.340 -0.000 0.000 0.288 327 L C -0.681 176.208 176.870 0.033 0.000 1.035 327 L CA -0.695 54.168 54.840 0.037 0.000 0.820 327 L CB 0.835 42.921 42.059 0.045 0.000 1.204 327 L HN 0.542 nan 8.230 nan 0.000 0.424 328 L N 5.694 126.934 121.223 0.029 0.000 2.456 328 L HA 0.409 4.749 4.340 -0.000 0.000 0.257 328 L C -1.937 174.947 176.870 0.023 0.000 1.162 328 L CA -1.545 53.308 54.840 0.022 0.000 0.808 328 L CB -0.151 41.921 42.059 0.022 0.000 1.136 328 L HN 0.300 nan 8.230 nan 0.000 0.466 329 P HA 0.124 nan 4.420 nan 0.000 0.263 329 P C 0.664 177.978 177.300 0.023 0.000 1.175 329 P CA 1.233 64.343 63.100 0.018 0.000 0.761 329 P CB 0.460 32.165 31.700 0.008 0.000 0.794 330 G N 2.692 111.510 108.800 0.030 0.000 2.253 330 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.251 330 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.251 330 G C 0.908 175.827 174.900 0.033 0.000 0.998 330 G CA 0.203 45.321 45.100 0.029 0.000 0.621 330 G HN 0.562 nan 8.290 nan 0.000 0.524 331 E N 0.825 121.046 120.200 0.035 0.000 2.400 331 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 331 E C 0.448 177.075 176.600 0.045 0.000 1.012 331 E CA 0.473 56.895 56.400 0.037 0.000 0.875 331 E CB 0.113 29.833 29.700 0.034 0.000 0.859 331 E HN 0.653 nan 8.360 nan 0.000 0.498 332 D N 1.667 122.099 120.400 0.055 0.000 2.994 332 D HA -0.024 4.616 4.640 -0.000 0.000 0.240 332 D C 0.073 176.420 176.300 0.079 0.000 1.195 332 D CA -0.167 53.878 54.000 0.075 0.000 0.957 332 D CB -0.206 40.648 40.800 0.089 0.000 1.105 332 D HN -0.105 nan 8.370 nan 0.000 0.477 333 S N -0.766 114.969 115.700 0.059 0.000 2.589 333 S HA 0.057 4.527 4.470 -0.000 0.000 0.265 333 S C 1.375 176.005 174.600 0.050 0.000 1.342 333 S CA -0.326 57.904 58.200 0.050 0.000 1.005 333 S CB 1.108 64.330 63.200 0.038 0.000 0.909 333 S HN 0.201 nan 8.310 nan 0.000 0.555 334 T N 1.829 116.404 114.554 0.035 0.000 2.720 334 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 334 T C 1.538 176.254 174.700 0.027 0.000 1.037 334 T CA 2.116 64.228 62.100 0.020 0.000 1.144 334 T CB -0.599 68.269 68.868 0.000 0.000 0.864 334 T HN 0.760 nan 8.240 nan 0.000 0.444 335 E N 1.430 121.648 120.200 0.030 0.000 2.051 335 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 335 E C 2.455 179.078 176.600 0.039 0.000 0.991 335 E CA 1.189 57.611 56.400 0.036 0.000 0.799 335 E CB -0.590 29.129 29.700 0.032 0.000 0.748 335 E HN 0.503 nan 8.360 nan 0.000 0.449 336 A N 0.605 123.448 122.820 0.037 0.000 1.902 336 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 336 A C 2.269 179.874 177.584 0.035 0.000 1.181 336 A CA 1.267 53.325 52.037 0.036 0.000 0.623 336 A CB -0.708 18.314 19.000 0.038 0.000 0.818 336 A HN 0.201 nan 8.150 nan 0.000 0.443 337 I N -0.289 120.308 120.570 0.046 0.000 2.208 337 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 337 I C 2.956 179.090 176.117 0.028 0.000 1.097 337 I CA 1.172 62.501 61.300 0.048 0.000 1.363 337 I CB -0.282 37.760 38.000 0.070 0.000 1.051 337 I HN 0.369 nan 8.210 nan 0.000 0.413 338 A N 0.365 123.209 122.820 0.038 0.000 1.873 338 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 338 A C 1.942 179.544 177.584 0.031 0.000 1.186 338 A CA 1.893 53.966 52.037 0.060 0.000 0.616 338 A CB -0.559 18.507 19.000 0.110 0.000 0.823 338 A HN 0.323 nan 8.150 nan 0.000 0.442 339 D N 0.080 120.496 120.400 0.027 0.000 2.117 339 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 339 D C 2.284 178.570 176.300 -0.023 0.000 0.987 339 D CA 1.585 55.588 54.000 0.005 0.000 0.829 339 D CB -0.400 40.411 40.800 0.019 0.000 0.961 339 D HN 0.375 nan 8.370 nan 0.000 0.460 340 S N -0.098 115.588 115.700 -0.024 0.000 2.356 340 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 340 S C 2.327 176.862 174.600 -0.107 0.000 1.032 340 S CA 0.840 59.000 58.200 -0.066 0.000 1.005 340 S CB -0.469 62.701 63.200 -0.051 0.000 0.867 340 S HN 0.379 nan 8.310 nan 0.000 0.449 341 C N 1.737 120.992 119.300 -0.075 0.000 2.413 341 C HA -0.119 4.341 4.460 -0.000 0.000 0.276 341 C C 2.848 177.768 174.990 -0.117 0.000 1.248 341 C CA 0.600 59.564 59.018 -0.090 0.000 1.742 341 C CB -1.421 26.286 27.740 -0.055 0.000 2.017 341 C HN 0.614 nan 8.230 nan 0.000 0.481 342 Q N 0.312 120.037 119.800 -0.125 0.000 2.050 342 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 342 Q C 2.330 178.265 176.000 -0.108 0.000 0.980 342 Q CA 1.249 56.953 55.803 -0.165 0.000 0.840 342 Q CB -0.222 28.400 28.738 -0.194 0.000 0.898 342 Q HN 0.678 nan 8.270 nan 0.000 0.424 343 E N 0.719 120.876 120.200 -0.072 0.000 2.038 343 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 343 E C 2.153 178.740 176.600 -0.022 0.000 1.000 343 E CA 0.988 57.386 56.400 -0.003 0.000 0.803 343 E CB -0.222 29.494 29.700 0.027 0.000 0.750 343 E HN 0.357 nan 8.360 nan 0.000 0.448 344 L N 1.022 122.122 121.223 -0.205 0.000 2.127 344 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 344 L C 2.567 179.401 176.870 -0.061 0.000 1.089 344 L CA 1.150 55.841 54.840 -0.248 0.000 0.757 344 L CB -0.308 41.574 42.059 -0.295 0.000 0.899 344 L HN 0.108 nan 8.230 nan 0.000 0.434 345 Q N -0.960 118.800 119.800 -0.066 0.000 2.331 345 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 345 Q C 1.982 177.968 176.000 -0.023 0.000 0.944 345 Q CA 1.267 57.041 55.803 -0.047 0.000 0.892 345 Q CB 0.199 28.886 28.738 -0.085 0.000 0.983 345 Q HN 0.568 nan 8.270 nan 0.000 0.482 346 A N 0.045 122.860 122.820 -0.007 0.000 2.211 346 A HA 0.108 4.428 4.320 -0.000 0.000 0.208 346 A C 0.483 178.086 177.584 0.032 0.000 1.250 346 A CA -0.073 51.960 52.037 -0.007 0.000 0.935 346 A CB 0.559 19.534 19.000 -0.043 0.000 0.982 346 A HN -0.096 nan 8.150 nan 0.000 0.490 347 K N 1.253 121.711 120.400 0.096 0.000 2.174 347 K HA 0.325 4.645 4.320 -0.000 0.000 0.275 347 K C -0.491 176.149 176.600 0.067 0.000 1.015 347 K CA -0.192 56.152 56.287 0.094 0.000 0.933 347 K CB 1.020 33.612 32.500 0.152 0.000 1.025 347 K HN 0.176 nan 8.250 nan 0.000 0.463 348 D N 0.575 120.978 120.400 0.004 0.000 2.117 348 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 348 D C 1.166 177.444 176.300 -0.037 0.000 0.982 348 D CA 1.538 55.533 54.000 -0.008 0.000 0.828 348 D CB 0.165 40.952 40.800 -0.020 0.000 0.967 348 D HN 0.535 nan 8.370 nan 0.000 0.464 349 T N -0.145 114.332 114.554 -0.128 0.000 2.684 349 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 349 T C 1.575 176.172 174.700 -0.170 0.000 1.036 349 T CA 1.095 63.074 62.100 -0.202 0.000 1.148 349 T CB -0.642 68.046 68.868 -0.299 0.000 0.863 349 T HN 0.268 nan 8.240 nan 0.000 0.436 350 Y N 1.581 121.890 120.300 0.014 0.000 2.114 350 Y HA -0.161 4.389 4.550 -0.000 0.000 0.282 350 Y C 2.882 178.805 175.900 0.037 0.000 1.165 350 Y CA 0.882 58.999 58.100 0.030 0.000 1.148 350 Y CB -0.634 37.838 38.460 0.020 0.000 0.972 350 Y HN 0.208 nan 8.280 nan 0.000 0.504 351 A N 0.051 122.972 122.820 0.169 0.000 1.902 351 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 351 A C 2.161 179.795 177.584 0.083 0.000 1.181 351 A CA 1.854 53.955 52.037 0.106 0.000 0.623 351 A CB -0.625 18.418 19.000 0.072 0.000 0.818 351 A HN 0.405 nan 8.150 nan 0.000 0.443 352 R N -0.961 119.573 120.500 0.057 0.000 2.075 352 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 352 R C 2.439 178.787 176.300 0.080 0.000 1.126 352 R CA 1.142 57.269 56.100 0.045 0.000 0.963 352 R CB -0.122 30.183 30.300 0.008 0.000 0.858 352 R HN 0.344 nan 8.270 nan 0.000 0.435 353 R N -0.212 120.348 120.500 0.100 0.000 2.092 353 R HA -0.005 4.335 4.340 -0.000 0.000 0.231 353 R C 2.114 178.578 176.300 0.274 0.000 1.119 353 R CA 1.333 57.560 56.100 0.212 0.000 0.970 353 R CB -0.622 29.792 30.300 0.189 0.000 0.864 353 R HN 0.238 nan 8.270 nan 0.000 0.440 354 A N 1.313 124.246 122.820 0.188 0.000 1.933 354 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 354 A C 2.159 179.801 177.584 0.096 0.000 1.175 354 A CA 1.244 53.361 52.037 0.133 0.000 0.628 354 A CB -0.357 18.713 19.000 0.117 0.000 0.814 354 A HN 0.342 nan 8.150 nan 0.000 0.444 355 Q N -0.446 119.411 119.800 0.093 0.000 2.119 355 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 355 Q C 1.477 177.523 176.000 0.076 0.000 0.972 355 Q CA 1.385 57.230 55.803 0.070 0.000 0.847 355 Q CB -0.161 28.611 28.738 0.058 0.000 0.903 355 Q HN 0.584 nan 8.270 nan 0.000 0.433 356 D N 0.362 120.831 120.400 0.114 0.000 2.123 356 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 356 D C 1.731 178.095 176.300 0.107 0.000 0.992 356 D CA 0.907 54.991 54.000 0.140 0.000 0.833 356 D CB -0.028 40.909 40.800 0.228 0.000 0.954 356 D HN 0.112 nan 8.370 nan 0.000 0.455 357 L N 0.643 121.902 121.223 0.061 0.000 2.093 357 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 357 L C 2.439 179.292 176.870 -0.029 0.000 1.085 357 L CA 1.128 55.917 54.840 -0.086 0.000 0.755 357 L CB -1.125 40.797 42.059 -0.229 0.000 0.904 357 L HN -0.072 nan 8.230 nan 0.000 0.435 358 S N -0.851 114.856 115.700 0.011 0.000 2.368 358 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 358 S C 2.280 176.891 174.600 0.019 0.000 1.030 358 S CA 1.280 59.492 58.200 0.020 0.000 0.999 358 S CB -0.100 63.119 63.200 0.031 0.000 0.844 358 S HN 0.389 nan 8.310 nan 0.000 0.459 359 R N 0.631 121.146 120.500 0.026 0.000 2.073 359 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 359 R C 2.472 178.783 176.300 0.019 0.000 1.134 359 R CA 1.871 57.986 56.100 0.025 0.000 0.952 359 R CB -0.422 29.898 30.300 0.034 0.000 0.850 359 R HN 0.611 nan 8.270 nan 0.000 0.433 360 E N 0.345 120.556 120.200 0.017 0.000 2.058 360 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 360 E C 1.956 178.556 176.600 -0.000 0.000 0.997 360 E CA 1.669 58.074 56.400 0.007 0.000 0.801 360 E CB -0.113 29.583 29.700 -0.007 0.000 0.746 360 E HN 0.394 nan 8.360 nan 0.000 0.450 361 I N 1.037 121.605 120.570 -0.004 0.000 2.286 361 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 361 I C 2.638 178.761 176.117 0.010 0.000 1.115 361 I CA 1.349 62.654 61.300 0.007 0.000 1.392 361 I CB -0.342 37.672 38.000 0.023 0.000 1.065 361 I HN 0.200 nan 8.210 nan 0.000 0.418 362 S N 0.498 116.204 115.700 0.009 0.000 2.481 362 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 362 S C 1.904 176.506 174.600 0.004 0.000 0.996 362 S CA 0.860 59.063 58.200 0.006 0.000 0.942 362 S CB -0.586 62.618 63.200 0.007 0.000 0.768 362 S HN 0.476 nan 8.310 nan 0.000 0.520 363 G N 0.571 109.374 108.800 0.006 0.000 3.042 363 G HA2 0.351 4.311 3.960 -0.000 0.000 0.212 363 G HA3 0.351 4.311 3.960 -0.000 0.000 0.212 363 G C 0.359 175.261 174.900 0.003 0.000 1.166 363 G CA -0.462 44.642 45.100 0.005 0.000 0.767 363 G HN 0.443 nan 8.290 nan 0.000 0.546 364 M N 0.832 120.433 119.600 0.002 0.000 2.255 364 M HA 0.280 4.760 4.480 -0.000 0.000 0.336 364 M C -2.293 174.006 176.300 -0.003 0.000 1.135 364 M CA -1.706 53.593 55.300 -0.001 0.000 1.145 364 M CB 1.081 33.680 32.600 -0.002 0.000 1.473 364 M HN -0.219 nan 8.290 nan 0.000 0.462 365 P HA 0.061 nan 4.420 nan 0.000 0.268 365 P C -0.866 176.432 177.300 -0.004 0.000 1.204 365 P CA -0.352 62.745 63.100 -0.004 0.000 0.768 365 P CB 0.250 31.945 31.700 -0.007 0.000 0.842 366 L N 7.152 128.373 121.223 -0.002 0.000 2.461 366 L HA 0.089 4.429 4.340 -0.000 0.000 0.272 366 L C -1.125 175.746 176.870 0.002 0.000 1.197 366 L CA -1.522 53.316 54.840 -0.003 0.000 0.836 366 L CB -0.564 41.493 42.059 -0.003 0.000 1.105 366 L HN 0.384 nan 8.230 nan 0.000 0.477 367 P HA -0.207 nan 4.420 nan 0.000 0.217 367 P C 1.233 178.549 177.300 0.026 0.000 1.151 367 P CA 2.010 65.118 63.100 0.013 0.000 0.849 367 P CB 0.225 31.928 31.700 0.004 0.000 0.787 368 A N -0.608 122.224 122.820 0.020 0.000 1.972 368 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 368 A C 2.226 179.831 177.584 0.034 0.000 1.169 368 A CA 2.389 54.445 52.037 0.031 0.000 0.635 368 A CB -1.894 17.118 19.000 0.019 0.000 0.810 368 A HN 0.366 nan 8.150 nan 0.000 0.446 369 T N -3.126 111.442 114.554 0.023 0.000 2.951 369 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 369 T C 1.580 176.294 174.700 0.023 0.000 1.073 369 T CA 1.312 63.425 62.100 0.020 0.000 1.134 369 T CB -0.486 68.388 68.868 0.011 0.000 0.884 369 T HN 0.080 nan 8.240 nan 0.000 0.479 370 V N 1.397 121.325 119.914 0.024 0.000 2.667 370 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 370 V C 2.872 178.988 176.094 0.037 0.000 1.065 370 V CA 0.793 63.106 62.300 0.021 0.000 1.083 370 V CB -0.611 31.220 31.823 0.012 0.000 0.692 370 V HN 0.374 nan 8.190 nan 0.000 0.468 371 V N 0.427 120.379 119.914 0.062 0.000 2.324 371 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 371 V C 2.594 178.728 176.094 0.067 0.000 1.060 371 V CA 2.730 65.082 62.300 0.086 0.000 1.042 371 V CB -1.160 30.744 31.823 0.135 0.000 0.650 371 V HN 0.627 nan 8.190 nan 0.000 0.450 372 T N 0.408 114.997 114.554 0.059 0.000 2.720 372 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 372 T C 2.066 176.783 174.700 0.029 0.000 1.037 372 T CA 1.669 63.797 62.100 0.047 0.000 1.144 372 T CB -0.467 68.421 68.868 0.035 0.000 0.864 372 T HN 0.604 nan 8.240 nan 0.000 0.444 373 A N 1.335 124.169 122.820 0.023 0.000 1.902 373 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 373 A C 2.316 179.900 177.584 0.000 0.000 1.181 373 A CA 1.208 53.255 52.037 0.017 0.000 0.623 373 A CB -0.846 18.159 19.000 0.007 0.000 0.818 373 A HN 0.493 nan 8.150 nan 0.000 0.443 374 L N -0.769 120.443 121.223 -0.019 0.000 2.046 374 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 374 L C 2.569 179.396 176.870 -0.071 0.000 1.077 374 L CA 1.827 56.629 54.840 -0.063 0.000 0.747 374 L CB -0.788 41.221 42.059 -0.084 0.000 0.896 374 L HN 0.468 nan 8.230 nan 0.000 0.432 375 E N -0.092 120.082 120.200 -0.043 0.000 2.110 375 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 375 E C 2.267 178.866 176.600 -0.001 0.000 0.988 375 E CA 1.204 57.594 56.400 -0.017 0.000 0.804 375 E CB -0.102 29.627 29.700 0.049 0.000 0.745 375 E HN 0.557 nan 8.360 nan 0.000 0.458 376 Q N 0.232 120.029 119.800 -0.005 0.000 2.079 376 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 376 Q C 2.267 178.286 176.000 0.032 0.000 0.974 376 Q CA 0.766 56.554 55.803 -0.025 0.000 0.840 376 Q CB -0.096 28.688 28.738 0.077 0.000 0.898 376 Q HN 0.172 nan 8.270 nan 0.000 0.430 377 L N 0.842 122.096 121.223 0.051 0.000 1.989 377 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 377 L C 2.204 179.065 176.870 -0.014 0.000 1.071 377 L CA 2.235 57.100 54.840 0.042 0.000 0.749 377 L CB -0.895 41.144 42.059 -0.033 0.000 0.890 377 L HN 0.157 nan 8.230 nan 0.000 0.431 378 A N -1.576 121.199 122.820 -0.076 0.000 1.902 378 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 378 A C 2.285 179.802 177.584 -0.111 0.000 1.181 378 A CA 1.918 53.865 52.037 -0.150 0.000 0.623 378 A CB -1.100 17.810 19.000 -0.150 0.000 0.818 378 A HN 0.758 nan 8.150 nan 0.000 0.443 379 H N -1.071 117.960 119.070 -0.065 0.000 2.321 379 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 379 H C 1.957 177.291 175.328 0.010 0.000 1.087 379 H CA 2.101 58.176 56.048 0.045 0.000 1.319 379 H CB -0.181 29.521 29.762 -0.101 0.000 1.379 379 H HN 0.572 nan 8.280 nan 0.000 0.501 380 H N -1.472 117.672 119.070 0.123 0.000 2.521 380 H HA -0.077 4.479 4.556 -0.000 0.000 0.286 380 H C 1.827 177.092 175.328 -0.106 0.000 1.034 380 H CA 1.312 57.368 56.048 0.013 0.000 1.278 380 H CB -0.270 29.556 29.762 0.107 0.000 1.386 380 H HN 0.565 nan 8.280 nan 0.000 0.567 381 H N 0.124 119.143 119.070 -0.085 0.000 2.428 381 H HA -0.074 4.482 4.556 -0.000 0.000 0.296 381 H C 1.787 177.028 175.328 -0.146 0.000 1.062 381 H CA 1.860 57.843 56.048 -0.109 0.000 1.350 381 H CB 0.205 29.866 29.762 -0.168 0.000 1.403 381 H HN 0.737 nan 8.280 nan 0.000 0.533 382 H N -4.097 114.720 119.070 -0.422 0.000 3.170 382 H HA 0.232 4.788 4.556 -0.000 0.000 0.264 382 H C -0.363 174.503 175.328 -0.769 0.000 1.113 382 H CA -0.482 55.251 56.048 -0.526 0.000 1.194 382 H CB 0.543 30.040 29.762 -0.443 0.000 1.553 382 H HN 0.178 nan 8.280 nan 0.000 0.538 383 H N 1.755 120.533 119.070 -0.486 0.000 2.539 383 H HA 0.383 4.939 4.556 -0.000 0.000 0.332 383 H C -0.296 174.722 175.328 -0.516 0.000 1.031 383 H CA -0.568 55.159 56.048 -0.535 0.000 1.206 383 H CB 1.044 30.370 29.762 -0.726 0.000 1.446 383 H HN 0.437 nan 8.280 nan 0.000 0.496 384 H N 0.000 119.128 119.070 0.097 0.000 2.539 384 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 384 H CA 0.000 56.103 56.048 0.091 0.000 1.023 384 H CB 0.000 29.786 29.762 0.040 0.000 1.292 384 H HN 0.000 nan 8.280 nan 0.000 0.496