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_A 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 QRVLVTSGSR VAKESYDRNF DFLRGLAKDL VRWDVELIVA DATA SEQUENCE APDTVAEALR AEVPQARVGW TPLDVVAPTC DLLVHHAGGV STLTGLSAGV DATA SEQUENCE PQLLIPKGSV LEAPARRVAD YGAAIALLPG EDSTEAIADS CQELQAKDTY DATA SEQUENCE ARRAQDLSRE ISGMPLPATV VTALEQLAHH HH 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 0.000 176.367 176.300 0.112 0.000 1.140 1 M CA 0.000 55.385 55.300 0.142 0.000 0.988 1 M CB 0.000 32.624 32.600 0.041 0.000 1.302 2 R N 1.259 121.748 120.500 -0.018 0.000 2.265 2 R HA 0.788 5.128 4.340 0.000 0.000 0.328 2 R C -1.343 175.070 176.300 0.188 0.000 0.969 2 R CA -0.429 55.659 56.100 -0.021 0.000 0.832 2 R CB 1.320 31.355 30.300 -0.442 0.000 1.139 2 R HN 0.576 nan 8.270 nan 0.000 0.457 3 I N 4.056 124.873 120.570 0.410 0.000 2.436 3 I HA 0.228 4.398 4.170 0.000 0.000 0.289 3 I C -0.842 175.467 176.117 0.320 0.000 1.010 3 I CA -1.148 60.303 61.300 0.252 0.000 1.098 3 I CB 1.901 39.937 38.000 0.060 0.000 1.266 3 I HN 0.308 nan 8.210 nan 0.000 0.434 4 L N 7.446 128.768 121.223 0.166 0.000 2.255 4 L HA 0.528 4.868 4.340 0.000 0.000 0.289 4 L C -1.160 175.664 176.870 -0.077 0.000 1.046 4 L CA 0.265 55.132 54.840 0.045 0.000 0.816 4 L CB 0.181 42.299 42.059 0.099 0.000 1.197 4 L HN 0.255 nan 8.230 nan 0.000 0.427 5 F N 4.379 124.337 119.950 0.012 0.000 2.384 5 F HA 0.546 5.073 4.527 0.000 0.000 0.338 5 F C 0.191 175.993 175.800 0.003 0.000 1.103 5 F CA -0.402 57.613 58.000 0.025 0.000 1.157 5 F CB 1.570 40.589 39.000 0.031 0.000 1.167 5 F HN 0.127 nan 8.300 nan 0.000 0.529 6 V N 3.725 123.748 119.914 0.182 0.000 2.409 6 V HA 0.590 4.710 4.120 0.000 0.000 0.290 6 V C 0.203 176.400 176.094 0.171 0.000 1.017 6 V CA -0.664 61.705 62.300 0.116 0.000 0.841 6 V CB 0.692 32.548 31.823 0.055 0.000 1.003 6 V HN 0.984 nan 8.190 nan 0.000 0.426 7 A N 4.318 127.239 122.820 0.168 0.000 3.293 7 A HA 1.011 5.331 4.320 0.000 0.000 0.163 7 A C 0.707 178.437 177.584 0.244 0.000 2.052 7 A CA 0.637 52.814 52.037 0.234 0.000 1.062 7 A CB 0.322 19.399 19.000 0.128 0.000 1.908 7 A HN 1.265 nan 8.150 nan 0.000 0.790 8 A N -3.532 119.387 122.820 0.166 0.000 4.258 8 A HA 0.582 4.902 4.320 0.000 0.000 0.158 8 A C 0.915 178.541 177.584 0.071 0.000 0.780 8 A CA 0.595 52.736 52.037 0.174 0.000 1.200 8 A CB -0.519 18.699 19.000 0.363 0.000 2.104 8 A HN 1.620 nan 8.150 nan 0.000 0.922 9 G N 0.069 108.917 108.800 0.080 0.000 3.324 9 G HA2 0.461 4.421 3.960 0.000 0.000 0.251 9 G HA3 0.461 4.421 3.960 0.000 0.000 0.251 9 G C 0.262 175.155 174.900 -0.011 0.000 1.072 9 G CA 1.167 46.295 45.100 0.047 0.000 0.787 9 G HN 1.391 nan 8.290 nan 0.000 0.537 10 S N -1.016 114.648 115.700 -0.060 0.000 2.570 10 S HA 0.619 5.089 4.470 0.000 0.000 0.286 10 S C -2.377 172.090 174.600 -0.221 0.000 1.099 10 S CA -1.320 56.812 58.200 -0.112 0.000 0.913 10 S CB 2.761 65.924 63.200 -0.061 0.000 1.085 10 S HN -0.159 nan 8.310 nan 0.000 0.480 11 P HA -0.009 nan 4.420 nan 0.000 0.216 11 P C 1.498 178.332 177.300 -0.777 0.000 1.150 11 P CA 1.801 64.538 63.100 -0.603 0.000 0.837 11 P CB -0.188 31.198 31.700 -0.523 0.000 0.786 12 A N -0.320 122.318 122.820 -0.304 0.000 2.019 12 A HA -0.178 4.142 4.320 0.000 0.000 0.219 12 A C 2.232 179.713 177.584 -0.171 0.000 1.164 12 A CA 2.260 54.242 52.037 -0.091 0.000 0.644 12 A CB -1.929 17.099 19.000 0.047 0.000 0.805 12 A HN 0.361 nan 8.150 nan 0.000 0.449 13 T N -2.666 111.692 114.554 -0.326 0.000 2.821 13 T HA -0.104 4.246 4.350 0.000 0.000 0.267 13 T C 1.695 176.373 174.700 -0.036 0.000 1.046 13 T CA 1.566 63.482 62.100 -0.307 0.000 1.139 13 T CB -0.741 67.844 68.868 -0.471 0.000 0.871 13 T HN 0.079 nan 8.240 nan 0.000 0.454 14 V N 0.886 120.704 119.914 -0.160 0.000 2.270 14 V HA -0.034 4.086 4.120 0.000 0.000 0.245 14 V C 2.522 178.648 176.094 0.053 0.000 1.043 14 V CA 1.599 63.838 62.300 -0.101 0.000 1.014 14 V CB -1.007 30.668 31.823 -0.247 0.000 0.645 14 V HN 0.341 nan 8.190 nan 0.000 0.447 15 F N 1.233 121.211 119.950 0.047 0.000 2.120 15 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 15 F C 2.499 178.355 175.800 0.093 0.000 1.095 15 F CA 1.077 59.113 58.000 0.060 0.000 1.249 15 F CB -1.610 37.435 39.000 0.077 0.000 0.995 15 F HN 0.133 nan 8.300 nan 0.000 0.480 16 A N -0.562 122.443 122.820 0.308 0.000 1.972 16 A HA -0.089 4.231 4.320 0.000 0.000 0.219 16 A C 2.018 179.751 177.584 0.247 0.000 1.169 16 A CA 1.359 53.577 52.037 0.302 0.000 0.635 16 A CB -0.764 18.438 19.000 0.336 0.000 0.810 16 A HN 0.287 nan 8.150 nan 0.000 0.446 17 L N -1.298 120.052 121.223 0.212 0.000 2.529 17 L HA 0.252 4.592 4.340 0.000 0.000 0.223 17 L C 2.649 179.526 176.870 0.012 0.000 1.113 17 L CA 1.052 55.988 54.840 0.159 0.000 0.861 17 L CB -0.564 41.624 42.059 0.215 0.000 1.012 17 L HN 0.339 nan 8.230 nan 0.000 0.461 18 A N 0.447 123.287 122.820 0.034 0.000 1.933 18 A HA -0.056 4.264 4.320 0.000 0.000 0.218 18 A C -0.113 177.432 177.584 -0.066 0.000 1.175 18 A CA 1.365 53.381 52.037 -0.036 0.000 0.628 18 A CB -1.586 17.453 19.000 0.065 0.000 0.814 18 A HN 0.284 nan 8.150 nan 0.000 0.444 19 P HA -0.158 nan 4.420 nan 0.000 0.215 19 P C 1.645 178.925 177.300 -0.034 0.000 1.157 19 P CA 0.920 64.002 63.100 -0.029 0.000 0.868 19 P CB -0.057 31.630 31.700 -0.021 0.000 0.788 20 L N -0.700 120.514 121.223 -0.016 0.000 2.109 20 L HA 0.012 4.352 4.340 0.000 0.000 0.207 20 L C 2.165 178.986 176.870 -0.081 0.000 1.086 20 L CA 1.795 56.655 54.840 0.033 0.000 0.760 20 L CB -1.529 40.623 42.059 0.155 0.000 0.910 20 L HN -0.139 nan 8.230 nan 0.000 0.437 21 A N -1.084 121.460 122.820 -0.461 0.000 1.898 21 A HA -0.180 4.140 4.320 0.000 0.000 0.216 21 A C 2.318 179.694 177.584 -0.347 0.000 1.181 21 A CA 2.141 53.576 52.037 -1.003 0.000 0.620 21 A CB -1.236 16.962 19.000 -1.335 0.000 0.819 21 A HN 0.585 nan 8.150 nan 0.000 0.442 22 T N -2.420 112.019 114.554 -0.191 0.000 2.942 22 T HA 0.210 4.560 4.350 0.000 0.000 0.265 22 T C 1.930 176.621 174.700 -0.015 0.000 1.062 22 T CA 1.292 63.347 62.100 -0.074 0.000 1.139 22 T CB -0.421 68.416 68.868 -0.052 0.000 0.883 22 T HN 0.494 nan 8.240 nan 0.000 0.468 23 A N 1.947 124.763 122.820 -0.006 0.000 1.902 23 A HA 0.321 4.641 4.320 0.000 0.000 0.217 23 A C 2.802 180.445 177.584 0.098 0.000 1.181 23 A CA 1.782 53.842 52.037 0.039 0.000 0.623 23 A CB -1.376 17.649 19.000 0.042 0.000 0.818 23 A HN 0.714 nan 8.150 nan 0.000 0.443 24 A N -0.520 122.384 122.820 0.141 0.000 1.902 24 A HA -0.167 4.153 4.320 0.000 0.000 0.217 24 A C 2.293 180.041 177.584 0.273 0.000 1.181 24 A CA 1.611 53.815 52.037 0.278 0.000 0.623 24 A CB -0.530 18.683 19.000 0.355 0.000 0.818 24 A HN 0.446 nan 8.150 nan 0.000 0.443 25 R N 0.035 120.633 120.500 0.164 0.000 2.081 25 R HA -0.147 4.193 4.340 0.000 0.000 0.235 25 R C 1.331 177.676 176.300 0.075 0.000 1.131 25 R CA 1.757 57.933 56.100 0.126 0.000 0.960 25 R CB -0.545 29.801 30.300 0.076 0.000 0.856 25 R HN 0.498 nan 8.270 nan 0.000 0.436 26 N N 0.524 119.258 118.700 0.056 0.000 2.443 26 N HA -0.109 4.631 4.740 0.000 0.000 0.184 26 N C 1.033 176.553 175.510 0.016 0.000 1.037 26 N CA 1.127 54.194 53.050 0.028 0.000 0.896 26 N CB -0.051 38.449 38.487 0.022 0.000 0.959 26 N HN 0.276 nan 8.380 nan 0.000 0.442 27 A N -0.732 122.108 122.820 0.033 0.000 2.275 27 A HA 0.489 4.809 4.320 0.000 0.000 0.212 27 A C 1.431 178.885 177.584 -0.217 0.000 1.201 27 A CA 0.589 52.605 52.037 -0.036 0.000 0.843 27 A CB -0.057 18.985 19.000 0.070 0.000 0.873 27 A HN 0.259 nan 8.150 nan 0.000 0.492 28 G N -1.149 107.558 108.800 -0.155 0.000 2.179 28 G HA2 -0.173 3.787 3.960 0.000 0.000 0.220 28 G HA3 -0.173 3.787 3.960 0.000 0.000 0.220 28 G C 0.036 174.815 174.900 -0.202 0.000 0.990 28 G CA 0.075 45.064 45.100 -0.185 0.000 0.646 28 G HN 0.627 nan 8.290 nan 0.000 0.517 29 H N 0.668 119.782 119.070 0.074 0.000 2.505 29 H HA 0.408 4.964 4.556 0.000 0.000 0.351 29 H C 0.285 175.691 175.328 0.130 0.000 1.151 29 H CA 0.016 56.122 56.048 0.096 0.000 1.339 29 H CB 0.767 30.604 29.762 0.125 0.000 1.483 29 H HN 0.184 nan 8.280 nan 0.000 0.558 30 Q N 1.830 121.793 119.800 0.270 0.000 2.295 30 Q HA 0.295 4.635 4.340 0.000 0.000 0.259 30 Q C -0.465 175.812 176.000 0.463 0.000 0.976 30 Q CA -0.353 55.626 55.803 0.293 0.000 0.923 30 Q CB 1.552 30.406 28.738 0.193 0.000 1.185 30 Q HN 0.282 nan 8.270 nan 0.000 0.410 31 V N 2.922 123.096 119.914 0.434 0.000 2.638 31 V HA 0.561 4.681 4.120 0.000 0.000 0.306 31 V C -0.553 175.706 176.094 0.275 0.000 1.052 31 V CA -0.814 61.737 62.300 0.419 0.000 0.885 31 V CB 2.310 34.328 31.823 0.325 0.000 0.999 31 V HN 0.534 nan 8.190 nan 0.000 0.424 32 V N 6.029 126.019 119.914 0.126 0.000 2.962 32 V HA 0.733 4.853 4.120 0.000 0.000 0.313 32 V C -0.838 175.248 176.094 -0.013 0.000 1.099 32 V CA -0.675 61.576 62.300 -0.083 0.000 0.971 32 V CB 2.134 33.683 31.823 -0.457 0.000 1.028 32 V HN 0.940 nan 8.190 nan 0.000 0.430 33 M N 5.538 125.110 119.600 -0.047 0.000 2.253 33 M HA 0.832 5.312 4.480 0.000 0.000 0.314 33 M C -0.537 175.708 176.300 -0.091 0.000 1.019 33 M CA -0.482 54.818 55.300 -0.001 0.000 0.932 33 M CB 1.577 34.180 32.600 0.005 0.000 1.606 33 M HN 0.896 nan 8.290 nan 0.000 0.430 34 A N 3.823 126.594 122.820 -0.081 0.000 2.305 34 A HA 0.968 5.288 4.320 0.000 0.000 0.322 34 A C -0.834 176.715 177.584 -0.059 0.000 1.187 34 A CA -0.214 51.738 52.037 -0.142 0.000 0.825 34 A CB 0.836 19.735 19.000 -0.168 0.000 1.164 34 A HN 1.080 nan 8.150 nan 0.000 0.498 35 A N 2.252 125.029 122.820 -0.072 0.000 2.581 35 A HA 0.621 4.941 4.320 0.000 0.000 0.290 35 A C -0.416 177.147 177.584 -0.035 0.000 1.119 35 A CA -0.907 51.111 52.037 -0.031 0.000 0.670 35 A CB 0.470 19.450 19.000 -0.034 0.000 1.280 35 A HN 0.860 nan 8.150 nan 0.000 0.425 36 N N 0.450 119.145 118.700 -0.007 0.000 2.329 36 N HA -0.060 4.680 4.740 0.000 0.000 0.237 36 N C 0.896 176.395 175.510 -0.019 0.000 1.258 36 N CA 0.527 53.581 53.050 0.007 0.000 0.866 36 N CB 0.581 39.095 38.487 0.045 0.000 1.102 36 N HN 0.809 nan 8.380 nan 0.000 0.440 37 Q N 1.121 120.912 119.800 -0.015 0.000 2.152 37 Q HA -0.222 4.118 4.340 0.000 0.000 0.206 37 Q C 0.988 176.968 176.000 -0.034 0.000 0.985 37 Q CA 1.739 57.524 55.803 -0.031 0.000 0.863 37 Q CB 0.017 28.740 28.738 -0.025 0.000 0.904 37 Q HN 0.658 nan 8.270 nan 0.000 0.422 38 D N -0.709 119.674 120.400 -0.029 0.000 2.371 38 D HA -0.148 4.492 4.640 0.000 0.000 0.221 38 D C 1.308 177.576 176.300 -0.053 0.000 0.986 38 D CA 0.504 54.480 54.000 -0.040 0.000 0.899 38 D CB 0.001 40.777 40.800 -0.040 0.000 0.902 38 D HN 0.318 nan 8.370 nan 0.000 0.530 39 M N 0.634 120.201 119.600 -0.055 0.000 2.495 39 M HA 0.182 4.662 4.480 0.000 0.000 0.237 39 M C 2.077 178.337 176.300 -0.066 0.000 1.131 39 M CA 0.143 55.397 55.300 -0.076 0.000 1.032 39 M CB -0.356 32.194 32.600 -0.083 0.000 1.513 39 M HN 0.100 nan 8.290 nan 0.000 0.488 40 G N 2.528 111.296 108.800 -0.054 0.000 2.529 40 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 40 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 40 G C -1.053 173.826 174.900 -0.035 0.000 1.177 40 G CA 0.710 45.781 45.100 -0.048 0.000 0.773 40 G HN 0.342 nan 8.290 nan 0.000 0.573 41 P HA 0.058 nan 4.420 nan 0.000 0.223 41 P C 1.917 179.218 177.300 0.001 0.000 1.151 41 P CA 0.324 63.417 63.100 -0.012 0.000 0.787 41 P CB 0.068 31.759 31.700 -0.014 0.000 0.788 42 V N -0.568 119.334 119.914 -0.020 0.000 2.307 42 V HA -0.174 3.946 4.120 0.000 0.000 0.245 42 V C 2.439 178.543 176.094 0.015 0.000 1.045 42 V CA 1.605 63.900 62.300 -0.008 0.000 1.024 42 V CB -1.164 30.579 31.823 -0.134 0.000 0.651 42 V HN -0.029 nan 8.190 nan 0.000 0.449 43 V N 1.151 121.052 119.914 -0.022 0.000 2.295 43 V HA -0.263 3.857 4.120 0.000 0.000 0.246 43 V C 2.843 178.941 176.094 0.007 0.000 1.049 43 V CA 2.663 64.955 62.300 -0.013 0.000 1.024 43 V CB -1.214 30.586 31.823 -0.038 0.000 0.648 43 V HN 0.821 nan 8.190 nan 0.000 0.447 44 T N -1.539 113.017 114.554 0.004 0.000 2.915 44 T HA -0.048 4.302 4.350 0.000 0.000 0.269 44 T C 1.888 176.604 174.700 0.027 0.000 1.071 44 T CA 1.277 63.383 62.100 0.011 0.000 1.132 44 T CB -0.599 68.272 68.868 0.005 0.000 0.878 44 T HN 0.481 nan 8.240 nan 0.000 0.479 45 G N 1.512 110.339 108.800 0.045 0.000 2.509 45 G HA2 -0.005 3.955 3.960 0.000 0.000 0.218 45 G HA3 -0.005 3.955 3.960 0.000 0.000 0.218 45 G C 1.493 176.439 174.900 0.076 0.000 1.124 45 G CA 0.834 45.973 45.100 0.065 0.000 0.776 45 G HN 0.753 nan 8.290 nan 0.000 0.547 46 V N -2.905 117.058 119.914 0.082 0.000 3.649 46 V HA 0.575 4.695 4.120 0.000 0.000 0.275 46 V C 1.448 177.558 176.094 0.027 0.000 1.281 46 V CA 0.532 62.873 62.300 0.068 0.000 1.143 46 V CB -0.450 31.437 31.823 0.106 0.000 0.892 46 V HN 0.977 nan 8.190 nan 0.000 0.441 47 G N 0.470 109.284 108.800 0.023 0.000 2.130 47 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 47 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 47 G C -0.361 174.545 174.900 0.010 0.000 0.999 47 G CA 0.228 45.337 45.100 0.014 0.000 0.686 47 G HN 0.584 nan 8.290 nan 0.000 0.515 48 L N 0.219 121.444 121.223 0.005 0.000 2.342 48 L HA 0.601 4.941 4.340 0.000 0.000 0.271 48 L C -2.172 174.699 176.870 0.002 0.000 1.008 48 L CA -2.649 52.190 54.840 -0.000 0.000 0.818 48 L CB 2.224 44.265 42.059 -0.030 0.000 1.296 48 L HN -0.144 nan 8.230 nan 0.000 0.427 49 P HA 0.222 nan 4.420 nan 0.000 0.276 49 P C -1.169 176.103 177.300 -0.046 0.000 1.230 49 P CA -0.266 62.834 63.100 0.001 0.000 0.776 49 P CB 1.023 32.744 31.700 0.035 0.000 0.888 50 A N 2.949 125.732 122.820 -0.062 0.000 2.324 50 A HA 0.644 4.964 4.320 0.000 0.000 0.330 50 A C -0.739 176.748 177.584 -0.162 0.000 1.165 50 A CA -0.623 51.355 52.037 -0.099 0.000 0.813 50 A CB 0.928 19.886 19.000 -0.070 0.000 1.197 50 A HN 0.368 nan 8.150 nan 0.000 0.484 51 V N 1.132 120.901 119.914 -0.242 0.000 2.680 51 V HA 0.674 4.794 4.120 0.000 0.000 0.309 51 V C 0.350 176.287 176.094 -0.262 0.000 1.052 51 V CA -0.374 61.707 62.300 -0.365 0.000 0.908 51 V CB 1.923 33.309 31.823 -0.728 0.000 1.001 51 V HN 1.225 nan 8.190 nan 0.000 0.431 52 A N 2.320 125.011 122.820 -0.216 0.000 2.269 52 A HA 0.515 4.835 4.320 0.000 0.000 0.302 52 A C 1.204 178.708 177.584 -0.133 0.000 1.266 52 A CA 0.267 52.223 52.037 -0.135 0.000 0.894 52 A CB 0.548 19.498 19.000 -0.084 0.000 1.147 52 A HN 1.056 nan 8.150 nan 0.000 0.537 53 T N 0.049 114.542 114.554 -0.102 0.000 2.788 53 T HA 0.054 4.404 4.350 0.000 0.000 0.268 53 T C 0.888 175.572 174.700 -0.027 0.000 1.044 53 T CA 1.681 63.739 62.100 -0.070 0.000 1.139 53 T CB -0.245 68.594 68.868 -0.048 0.000 0.867 53 T HN 1.027 nan 8.240 nan 0.000 0.454 54 T N -0.384 114.170 114.554 -0.000 0.000 2.885 54 T HA 0.355 4.705 4.350 0.000 0.000 0.322 54 T C -1.252 173.477 174.700 0.049 0.000 1.387 54 T CA -0.706 61.426 62.100 0.053 0.000 1.041 54 T CB 1.763 70.719 68.868 0.147 0.000 1.287 54 T HN -0.085 nan 8.240 nan 0.000 0.491 55 D N 1.942 122.363 120.400 0.036 0.000 2.340 55 D HA 0.233 4.873 4.640 0.000 0.000 0.220 55 D C 0.532 176.829 176.300 -0.004 0.000 1.039 55 D CA 0.363 54.365 54.000 0.003 0.000 0.866 55 D CB 0.162 40.950 40.800 -0.020 0.000 0.913 55 D HN 0.434 nan 8.370 nan 0.000 0.523 56 L N 2.377 123.624 121.223 0.040 0.000 2.334 56 L HA 0.339 4.679 4.340 0.000 0.000 0.277 56 L C -2.041 174.893 176.870 0.107 0.000 1.075 56 L CA -1.768 53.045 54.840 -0.044 0.000 0.804 56 L CB 1.252 43.130 42.059 -0.302 0.000 1.174 56 L HN -0.232 nan 8.230 nan 0.000 0.438 57 P HA 0.171 nan 4.420 nan 0.000 0.279 57 P C 0.927 178.308 177.300 0.134 0.000 1.276 57 P CA -0.555 62.582 63.100 0.061 0.000 0.801 57 P CB 0.998 32.688 31.700 -0.018 0.000 1.127 58 I N -1.588 119.040 120.570 0.096 0.000 2.361 58 I HA -0.192 3.978 4.170 0.000 0.000 0.251 58 I C 2.529 178.550 176.117 -0.160 0.000 1.133 58 I CA 1.177 62.507 61.300 0.050 0.000 1.413 58 I CB -0.611 37.346 38.000 -0.072 0.000 1.073 58 I HN 0.242 nan 8.210 nan 0.000 0.424 59 R N 0.658 121.061 120.500 -0.161 0.000 2.117 59 R HA -0.277 4.063 4.340 0.000 0.000 0.243 59 R C 2.637 178.816 176.300 -0.202 0.000 1.143 59 R CA 1.924 57.902 56.100 -0.204 0.000 0.968 59 R CB -0.755 29.459 30.300 -0.144 0.000 0.863 59 R HN 0.618 nan 8.270 nan 0.000 0.444 60 H N -0.320 118.582 119.070 -0.281 0.000 2.319 60 H HA -0.174 4.382 4.556 0.000 0.000 0.299 60 H C 1.666 176.738 175.328 -0.428 0.000 1.092 60 H CA 2.333 58.136 56.048 -0.408 0.000 1.302 60 H CB -0.221 29.171 29.762 -0.618 0.000 1.373 60 H HN 0.258 nan 8.280 nan 0.000 0.497 61 F N 0.390 120.291 119.950 -0.082 0.000 2.206 61 F HA -0.061 4.466 4.527 0.000 0.000 0.298 61 F C 2.846 178.531 175.800 -0.193 0.000 1.090 61 F CA 0.544 58.507 58.000 -0.062 0.000 1.323 61 F CB -0.297 38.787 39.000 0.140 0.000 1.028 61 F HN 0.070 nan 8.300 nan 0.000 0.492 62 I N 0.103 120.463 120.570 -0.350 0.000 2.163 62 I HA -0.297 3.873 4.170 0.000 0.000 0.243 62 I C 2.441 178.488 176.117 -0.117 0.000 1.085 62 I CA 2.025 62.993 61.300 -0.553 0.000 1.347 62 I CB -0.765 36.739 38.000 -0.826 0.000 1.044 62 I HN 0.240 nan 8.210 nan 0.000 0.408 63 T N -4.057 110.392 114.554 -0.176 0.000 3.065 63 T HA 0.034 4.384 4.350 0.000 0.000 0.252 63 T C 0.788 175.410 174.700 -0.130 0.000 1.099 63 T CA 0.334 62.362 62.100 -0.120 0.000 1.063 63 T CB -0.158 68.616 68.868 -0.157 0.000 0.948 63 T HN 0.329 nan 8.240 nan 0.000 0.506 64 T N 1.906 116.333 114.554 -0.211 0.000 2.916 64 T HA 0.512 4.862 4.350 0.000 0.000 0.298 64 T C -1.379 173.258 174.700 -0.104 0.000 1.031 64 T CA -0.857 61.114 62.100 -0.215 0.000 0.993 64 T CB 1.913 70.559 68.868 -0.370 0.000 1.045 64 T HN 0.298 nan 8.240 nan 0.000 0.454 65 D N 2.846 123.234 120.400 -0.020 0.000 2.411 65 D HA 0.297 4.937 4.640 0.000 0.000 0.251 65 D C 1.305 177.637 176.300 0.052 0.000 1.201 65 D CA -0.833 53.194 54.000 0.045 0.000 0.996 65 D CB 0.699 41.538 40.800 0.064 0.000 1.101 65 D HN 0.627 nan 8.370 nan 0.000 0.504 66 R N -0.655 119.895 120.500 0.084 0.000 2.200 66 R HA -0.126 4.214 4.340 0.000 0.000 0.234 66 R C 0.794 177.136 176.300 0.069 0.000 1.127 66 R CA 1.137 57.294 56.100 0.094 0.000 0.989 66 R CB -0.201 30.152 30.300 0.088 0.000 0.869 66 R HN 0.484 nan 8.270 nan 0.000 0.459 67 E N -0.651 119.579 120.200 0.050 0.000 2.476 67 E HA 0.094 4.444 4.350 0.000 0.000 0.191 67 E C 0.871 177.488 176.600 0.029 0.000 1.064 67 E CA 0.487 56.910 56.400 0.037 0.000 0.866 67 E CB 0.593 30.311 29.700 0.031 0.000 0.952 67 E HN 0.450 nan 8.360 nan 0.000 0.492 68 G N 1.256 110.071 108.800 0.025 0.000 2.153 68 G HA2 -0.377 3.583 3.960 0.000 0.000 0.252 68 G HA3 -0.377 3.583 3.960 0.000 0.000 0.252 68 G C 0.105 174.997 174.900 -0.013 0.000 0.994 68 G CA 0.284 45.389 45.100 0.009 0.000 0.698 68 G HN 0.227 nan 8.290 nan 0.000 0.521 69 R N 0.393 120.886 120.500 -0.012 0.000 2.474 69 R HA 0.509 4.849 4.340 0.000 0.000 0.295 69 R C -2.516 173.767 176.300 -0.028 0.000 0.980 69 R CA -2.101 53.990 56.100 -0.015 0.000 0.934 69 R CB 1.065 31.365 30.300 0.000 0.000 1.101 69 R HN 0.035 nan 8.270 nan 0.000 0.469 70 P HA -0.091 nan 4.420 nan 0.000 0.265 70 P C -0.986 176.307 177.300 -0.012 0.000 1.187 70 P CA 0.339 63.415 63.100 -0.040 0.000 0.766 70 P CB 0.552 32.228 31.700 -0.039 0.000 0.820 71 E N 1.504 121.707 120.200 0.005 0.000 2.222 71 E HA 0.586 4.936 4.350 0.000 0.000 0.267 71 E C -1.026 175.572 176.600 -0.004 0.000 0.884 71 E CA -1.076 55.351 56.400 0.045 0.000 0.764 71 E CB 1.495 31.288 29.700 0.156 0.000 1.169 71 E HN 0.431 nan 8.360 nan 0.000 0.413 72 A N 4.660 127.447 122.820 -0.055 0.000 2.316 72 A HA 0.444 4.764 4.320 0.000 0.000 0.284 72 A C -0.054 177.337 177.584 -0.321 0.000 1.115 72 A CA -0.513 51.440 52.037 -0.140 0.000 0.812 72 A CB 0.398 19.336 19.000 -0.102 0.000 1.064 72 A HN 0.651 nan 8.150 nan 0.000 0.489 73 I N 3.660 123.964 120.570 -0.442 0.000 2.416 73 I HA 0.233 4.403 4.170 0.000 0.000 0.288 73 I C -1.644 174.220 176.117 -0.421 0.000 1.051 73 I CA -1.391 59.444 61.300 -0.776 0.000 1.375 73 I CB 1.003 38.651 38.000 -0.587 0.000 1.407 73 I HN 0.552 nan 8.210 nan 0.000 0.516 74 P HA 0.273 nan 4.420 nan 0.000 0.279 74 P C -0.048 177.196 177.300 -0.094 0.000 1.252 74 P CA -0.464 62.544 63.100 -0.153 0.000 0.811 74 P CB 1.601 33.257 31.700 -0.074 0.000 1.035 75 S N -0.944 114.726 115.700 -0.049 0.000 2.475 75 S HA -0.010 4.460 4.470 0.000 0.000 0.224 75 S C 0.551 175.153 174.600 0.003 0.000 1.042 75 S CA 0.221 58.408 58.200 -0.022 0.000 0.935 75 S CB -0.498 62.689 63.200 -0.022 0.000 0.801 75 S HN 0.710 nan 8.310 nan 0.000 0.509 76 D N 2.053 122.457 120.400 0.007 0.000 2.533 76 D HA 0.022 4.662 4.640 0.000 0.000 0.236 76 D C -1.747 174.575 176.300 0.036 0.000 1.137 76 D CA -1.160 52.852 54.000 0.020 0.000 0.867 76 D CB 0.987 41.799 40.800 0.020 0.000 1.170 76 D HN 0.007 nan 8.370 nan 0.000 0.474 77 P HA -0.132 nan 4.420 nan 0.000 0.217 77 P C 1.348 178.684 177.300 0.061 0.000 1.150 77 P CA 0.375 63.505 63.100 0.050 0.000 0.832 77 P CB 0.187 31.912 31.700 0.041 0.000 0.787 78 V N 0.563 120.508 119.914 0.052 0.000 2.261 78 V HA -0.250 3.870 4.120 0.000 0.000 0.246 78 V C 2.563 178.702 176.094 0.076 0.000 1.047 78 V CA 2.287 64.620 62.300 0.056 0.000 1.015 78 V CB -1.788 30.061 31.823 0.043 0.000 0.642 78 V HN 0.096 nan 8.190 nan 0.000 0.446 79 A N -0.884 121.980 122.820 0.074 0.000 1.917 79 A HA -0.351 3.969 4.320 0.000 0.000 0.219 79 A C 2.260 179.937 177.584 0.155 0.000 1.182 79 A CA 2.417 54.512 52.037 0.097 0.000 0.633 79 A CB -0.616 18.423 19.000 0.065 0.000 0.819 79 A HN 0.609 nan 8.150 nan 0.000 0.448 80 Q N -0.946 118.937 119.800 0.138 0.000 2.119 80 Q HA -0.076 4.264 4.340 0.000 0.000 0.201 80 Q C 2.249 178.416 176.000 0.278 0.000 0.972 80 Q CA 1.272 57.200 55.803 0.209 0.000 0.847 80 Q CB -0.307 28.515 28.738 0.140 0.000 0.903 80 Q HN 0.645 nan 8.270 nan 0.000 0.433 81 A N 1.086 124.014 122.820 0.180 0.000 1.902 81 A HA -0.194 4.126 4.320 0.000 0.000 0.217 81 A C 2.026 179.695 177.584 0.142 0.000 1.181 81 A CA 1.237 53.361 52.037 0.145 0.000 0.623 81 A CB -0.419 18.631 19.000 0.083 0.000 0.818 81 A HN 0.247 nan 8.150 nan 0.000 0.443 82 R N -1.358 119.228 120.500 0.143 0.000 2.073 82 R HA -0.126 4.214 4.340 0.000 0.000 0.234 82 R C 1.967 178.370 176.300 0.172 0.000 1.134 82 R CA 1.498 57.672 56.100 0.124 0.000 0.952 82 R CB -1.341 29.027 30.300 0.114 0.000 0.850 82 R HN 0.646 nan 8.270 nan 0.000 0.433 83 F N 2.276 122.299 119.950 0.123 0.000 2.120 83 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 83 F C 2.040 178.003 175.800 0.271 0.000 1.095 83 F CA 1.909 60.022 58.000 0.188 0.000 1.249 83 F CB -0.459 38.654 39.000 0.188 0.000 0.995 83 F HN -0.056 nan 8.300 nan 0.000 0.480 84 T N 0.033 114.701 114.554 0.190 0.000 2.720 84 T HA -0.140 4.210 4.350 0.000 0.000 0.268 84 T C 2.153 176.759 174.700 -0.157 0.000 1.037 84 T CA 1.508 63.629 62.100 0.034 0.000 1.144 84 T CB -1.248 67.756 68.868 0.226 0.000 0.864 84 T HN 0.493 nan 8.240 nan 0.000 0.444 85 G N 1.171 109.958 108.800 -0.022 0.000 2.418 85 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 85 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 85 G C 1.556 176.440 174.900 -0.026 0.000 1.158 85 G CA 0.931 46.043 45.100 0.021 0.000 0.771 85 G HN 0.457 nan 8.290 nan 0.000 0.545 86 R N -0.049 120.411 120.500 -0.067 0.000 2.073 86 R HA -0.106 4.234 4.340 0.000 0.000 0.234 86 R C 2.455 178.742 176.300 -0.022 0.000 1.134 86 R CA 2.056 58.128 56.100 -0.047 0.000 0.952 86 R CB -0.533 29.763 30.300 -0.007 0.000 0.850 86 R HN 0.684 nan 8.270 nan 0.000 0.433 87 W N -0.368 120.789 121.300 -0.239 0.000 2.418 87 W HA -0.081 4.579 4.660 0.000 0.000 0.292 87 W C 1.079 177.542 176.519 -0.093 0.000 1.213 87 W CA 0.051 57.260 57.345 -0.226 0.000 1.283 87 W CB -0.844 28.345 29.460 -0.452 0.000 1.119 87 W HN -0.032 nan 8.180 nan 0.000 0.542 88 F N 2.298 121.919 119.950 -0.549 0.000 2.171 88 F HA -0.126 4.401 4.527 0.000 0.000 0.300 88 F C 3.029 178.837 175.800 0.015 0.000 1.090 88 F CA 2.762 60.538 58.000 -0.374 0.000 1.293 88 F CB -1.039 37.721 39.000 -0.399 0.000 1.013 88 F HN -0.031 nan 8.300 nan 0.000 0.486 89 A N 0.806 123.753 122.820 0.213 0.000 1.898 89 A HA -0.185 4.135 4.320 0.000 0.000 0.216 89 A C 2.276 179.889 177.584 0.049 0.000 1.181 89 A CA 1.630 53.720 52.037 0.089 0.000 0.620 89 A CB -0.696 18.232 19.000 -0.120 0.000 0.819 89 A HN 0.470 nan 8.150 nan 0.000 0.442 90 R N -1.012 119.527 120.500 0.066 0.000 2.148 90 R HA 0.060 4.400 4.340 0.000 0.000 0.223 90 R C 2.061 178.351 176.300 -0.017 0.000 1.088 90 R CA 1.434 57.591 56.100 0.095 0.000 0.985 90 R CB -0.588 29.825 30.300 0.187 0.000 0.880 90 R HN 0.479 nan 8.270 nan 0.000 0.451 91 M N 1.421 120.857 119.600 -0.273 0.000 2.086 91 M HA -0.118 4.362 4.480 0.000 0.000 0.261 91 M C 2.366 178.437 176.300 -0.381 0.000 1.067 91 M CA 2.161 56.913 55.300 -0.914 0.000 1.116 91 M CB -0.135 32.014 32.600 -0.753 0.000 1.348 91 M HN 0.374 nan 8.290 nan 0.000 0.407 92 A N 0.039 122.793 122.820 -0.111 0.000 1.877 92 A HA -0.072 4.248 4.320 0.000 0.000 0.216 92 A C 2.300 179.878 177.584 -0.009 0.000 1.186 92 A CA 1.948 53.979 52.037 -0.010 0.000 0.620 92 A CB -1.349 17.722 19.000 0.118 0.000 0.822 92 A HN 0.635 nan 8.150 nan 0.000 0.443 93 A N -0.777 122.047 122.820 0.006 0.000 1.940 93 A HA -0.147 4.173 4.320 0.000 0.000 0.219 93 A C 2.493 180.098 177.584 0.035 0.000 1.176 93 A CA 2.334 54.387 52.037 0.027 0.000 0.631 93 A CB -0.929 18.095 19.000 0.040 0.000 0.814 93 A HN 0.613 nan 8.150 nan 0.000 0.446 94 S N -0.697 115.027 115.700 0.040 0.000 2.383 94 S HA -0.086 4.384 4.470 0.000 0.000 0.227 94 S C 2.074 176.707 174.600 0.055 0.000 1.026 94 S CA 1.677 59.936 58.200 0.098 0.000 0.981 94 S CB -0.338 63.022 63.200 0.268 0.000 0.818 94 S HN 0.540 nan 8.310 nan 0.000 0.472 95 S N 1.276 116.975 115.700 -0.003 0.000 2.489 95 S HA 0.088 4.558 4.470 0.000 0.000 0.228 95 S C 1.543 176.145 174.600 0.003 0.000 0.995 95 S CA 0.605 58.803 58.200 -0.005 0.000 0.934 95 S CB -0.316 62.861 63.200 -0.038 0.000 0.771 95 S HN 0.479 nan 8.310 nan 0.000 0.522 96 L N 2.837 124.061 121.223 0.002 0.000 2.017 96 L HA -0.005 4.335 4.340 0.000 0.000 0.208 96 L C -1.245 175.609 176.870 -0.027 0.000 1.073 96 L CA 1.983 56.816 54.840 -0.012 0.000 0.745 96 L CB -1.372 40.677 42.059 -0.017 0.000 0.894 96 L HN 0.111 nan 8.230 nan 0.000 0.432 97 P HA -0.199 nan 4.420 nan 0.000 0.215 97 P C 1.518 178.822 177.300 0.007 0.000 1.153 97 P CA 1.528 64.616 63.100 -0.020 0.000 0.853 97 P CB -0.195 31.503 31.700 -0.004 0.000 0.788 98 R N -0.628 119.886 120.500 0.023 0.000 2.075 98 R HA -0.077 4.263 4.340 0.000 0.000 0.232 98 R C 1.967 178.316 176.300 0.081 0.000 1.126 98 R CA 1.581 57.708 56.100 0.045 0.000 0.963 98 R CB -0.501 29.817 30.300 0.031 0.000 0.858 98 R HN 0.050 nan 8.270 nan 0.000 0.435 99 M N 0.386 120.024 119.600 0.063 0.000 2.254 99 M HA -0.108 4.372 4.480 0.000 0.000 0.265 99 M C 2.077 178.461 176.300 0.140 0.000 1.066 99 M CA 0.830 56.197 55.300 0.113 0.000 1.123 99 M CB -0.745 31.890 32.600 0.058 0.000 1.388 99 M HN 0.172 nan 8.290 nan 0.000 0.425 100 L N 0.804 122.060 121.223 0.055 0.000 2.017 100 L HA -0.212 4.128 4.340 0.000 0.000 0.208 100 L C 2.002 178.902 176.870 0.049 0.000 1.073 100 L CA 1.932 56.784 54.840 0.021 0.000 0.745 100 L CB -1.379 40.639 42.059 -0.068 0.000 0.894 100 L HN 0.235 nan 8.230 nan 0.000 0.432 101 D N -1.259 119.179 120.400 0.063 0.000 2.097 101 D HA -0.248 4.392 4.640 0.000 0.000 0.195 101 D C 2.088 178.452 176.300 0.106 0.000 0.989 101 D CA 1.160 55.203 54.000 0.071 0.000 0.827 101 D CB -0.326 40.519 40.800 0.074 0.000 0.966 101 D HN 0.287 nan 8.370 nan 0.000 0.456 102 F N 1.657 121.629 119.950 0.035 0.000 2.126 102 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 102 F C 2.276 178.145 175.800 0.114 0.000 1.096 102 F CA 1.384 59.419 58.000 0.058 0.000 1.255 102 F CB -0.145 38.864 39.000 0.015 0.000 0.997 102 F HN -0.170 nan 8.300 nan 0.000 0.479 103 S N 0.161 115.864 115.700 0.006 0.000 2.414 103 S HA -0.053 4.417 4.470 0.000 0.000 0.227 103 S C 1.900 176.467 174.600 -0.054 0.000 1.022 103 S CA 0.691 58.869 58.200 -0.037 0.000 0.958 103 S CB -0.268 63.004 63.200 0.119 0.000 0.797 103 S HN 0.387 nan 8.310 nan 0.000 0.493 104 R N 0.982 121.463 120.500 -0.032 0.000 2.148 104 R HA 0.093 4.433 4.340 0.000 0.000 0.227 104 R C 2.273 178.536 176.300 -0.061 0.000 1.103 104 R CA 1.083 57.166 56.100 -0.028 0.000 0.983 104 R CB -0.228 30.070 30.300 -0.005 0.000 0.874 104 R HN 0.395 nan 8.270 nan 0.000 0.451 105 A N -0.792 121.968 122.820 -0.101 0.000 1.943 105 A HA -0.098 4.222 4.320 0.000 0.000 0.213 105 A C 1.614 179.120 177.584 -0.130 0.000 1.181 105 A CA 0.257 52.237 52.037 -0.095 0.000 0.653 105 A CB -0.403 18.565 19.000 -0.053 0.000 0.833 105 A HN 0.493 nan 8.150 nan 0.000 0.451 106 W N 0.473 121.477 121.300 -0.493 0.000 2.737 106 W HA 0.169 4.829 4.660 -0.000 0.000 0.262 106 W C 0.176 176.545 176.519 -0.249 0.000 1.282 106 W CA 0.689 57.755 57.345 -0.464 0.000 1.386 106 W CB 0.263 29.161 29.460 -0.937 0.000 1.099 106 W HN 0.298 nan 8.180 nan 0.000 0.621 107 R N -0.126 120.300 120.500 -0.123 0.000 3.084 107 R HA -0.174 4.166 4.340 0.000 0.000 0.258 107 R C -2.663 173.544 176.300 -0.155 0.000 0.914 107 R CA 0.361 56.375 56.100 -0.143 0.000 0.646 107 R CB -2.558 27.619 30.300 -0.205 0.000 1.330 107 R HN 0.108 nan 8.270 nan 0.000 0.465 108 P HA 0.010 nan 4.420 nan 0.000 0.271 108 P C -0.051 177.269 177.300 0.033 0.000 1.216 108 P CA -0.032 63.183 63.100 0.192 0.000 0.776 108 P CB 0.659 32.576 31.700 0.362 0.000 0.881 109 D N 0.871 121.254 120.400 -0.028 0.000 2.333 109 D HA 0.102 4.742 4.640 0.000 0.000 0.208 109 D C 0.466 176.818 176.300 0.087 0.000 0.984 109 D CA 0.951 54.880 54.000 -0.117 0.000 0.873 109 D CB 0.359 41.019 40.800 -0.234 0.000 0.935 109 D HN 0.197 nan 8.370 nan 0.000 0.521 110 L N 0.220 121.476 121.223 0.056 0.000 2.612 110 L HA 0.384 4.724 4.340 0.000 0.000 0.256 110 L C -2.057 174.799 176.870 -0.023 0.000 0.949 110 L CA -0.544 54.298 54.840 0.003 0.000 0.867 110 L CB 2.282 44.303 42.059 -0.064 0.000 1.417 110 L HN -0.259 nan 8.230 nan 0.000 0.414 111 I N 4.395 124.940 120.570 -0.042 0.000 2.436 111 I HA 0.584 4.754 4.170 0.000 0.000 0.289 111 I C -0.967 175.094 176.117 -0.093 0.000 1.010 111 I CA -1.005 60.266 61.300 -0.049 0.000 1.098 111 I CB 2.066 40.082 38.000 0.027 0.000 1.266 111 I HN 0.264 nan 8.210 nan 0.000 0.434 112 V N 4.952 124.708 119.914 -0.265 0.000 2.384 112 V HA 0.719 4.839 4.120 0.000 0.000 0.287 112 V C 0.412 176.480 176.094 -0.044 0.000 1.020 112 V CA -0.394 61.756 62.300 -0.250 0.000 0.850 112 V CB 1.429 32.863 31.823 -0.649 0.000 0.987 112 V HN 0.909 nan 8.190 nan 0.000 0.436 113 G N 2.566 111.417 108.800 0.085 0.000 2.498 113 G HA2 0.666 4.626 3.960 0.000 0.000 0.312 113 G HA3 0.666 4.626 3.960 0.000 0.000 0.312 113 G C 0.099 174.996 174.900 -0.006 0.000 1.230 113 G CA -0.278 44.864 45.100 0.071 0.000 0.968 113 G HN 0.973 nan 8.290 nan 0.000 0.481 114 G N -0.516 108.243 108.800 -0.069 0.000 2.716 114 G HA2 0.342 4.302 3.960 0.000 0.000 0.251 114 G HA3 0.342 4.302 3.960 0.000 0.000 0.251 114 G C 1.220 175.561 174.900 -0.931 0.000 1.224 114 G CA 0.588 45.413 45.100 -0.458 0.000 0.891 114 G HN 0.572 nan 8.290 nan 0.000 0.561 115 T N 0.699 114.335 114.554 -1.530 0.000 2.635 115 T HA -0.202 4.148 4.350 0.000 0.000 0.267 115 T C 1.959 176.100 174.700 -0.932 0.000 1.040 115 T CA 1.905 63.393 62.100 -1.020 0.000 1.156 115 T CB -0.173 68.047 68.868 -1.079 0.000 0.863 115 T HN 0.250 nan 8.240 nan 0.000 0.430 116 M N 1.050 119.863 119.600 -1.312 0.000 2.560 116 M HA 0.267 4.747 4.480 0.000 0.000 0.297 116 M C 0.459 176.140 176.300 -1.031 0.000 1.201 116 M CA 0.066 54.537 55.300 -1.381 0.000 0.973 116 M CB 0.298 32.011 32.600 -1.478 0.000 1.401 116 M HN -0.160 nan 8.290 nan 0.000 0.497 117 S N 0.551 115.862 115.700 -0.647 0.000 4.175 117 S HA 0.071 4.541 4.470 0.000 0.000 0.193 117 S C 0.429 174.879 174.600 -0.250 0.000 1.373 117 S CA -0.287 57.769 58.200 -0.241 0.000 0.908 117 S CB -0.616 62.539 63.200 -0.074 0.000 1.547 117 S HN 0.396 nan 8.310 nan 0.000 0.440 118 Y N -0.095 120.175 120.300 -0.050 0.000 2.483 118 Y HA -0.070 4.480 4.550 -0.000 0.000 0.291 118 Y C 2.248 178.091 175.900 -0.096 0.000 1.143 118 Y CA -0.028 58.018 58.100 -0.091 0.000 1.289 118 Y CB -0.583 37.840 38.460 -0.062 0.000 0.983 118 Y HN 0.429 nan 8.280 nan 0.000 0.556 119 V N -0.222 119.725 119.914 0.056 0.000 2.594 119 V HA -0.284 3.836 4.120 0.000 0.000 0.253 119 V C 2.275 178.348 176.094 -0.036 0.000 1.069 119 V CA 1.485 63.795 62.300 0.018 0.000 1.082 119 V CB -0.778 31.052 31.823 0.011 0.000 0.680 119 V HN 0.446 nan 8.190 nan 0.000 0.469 120 A N 1.353 124.114 122.820 -0.098 0.000 1.835 120 A HA -0.087 4.233 4.320 0.000 0.000 0.215 120 A C 0.626 177.984 177.584 -0.376 0.000 1.199 120 A CA 1.969 53.892 52.037 -0.190 0.000 0.615 120 A CB -2.043 16.856 19.000 -0.168 0.000 0.838 120 A HN 0.596 nan 8.150 nan 0.000 0.444 121 P HA -0.127 nan 4.420 nan 0.000 0.218 121 P C 1.567 178.763 177.300 -0.174 0.000 1.149 121 P CA 0.945 63.734 63.100 -0.518 0.000 0.817 121 P CB -0.215 31.247 31.700 -0.398 0.000 0.785 122 L N -1.097 120.080 121.223 -0.077 0.000 2.017 122 L HA -0.151 4.189 4.340 0.000 0.000 0.208 122 L C 2.835 179.779 176.870 0.124 0.000 1.073 122 L CA 1.295 56.158 54.840 0.039 0.000 0.745 122 L CB -1.015 41.093 42.059 0.082 0.000 0.894 122 L HN -0.091 nan 8.230 nan 0.000 0.432 123 L N -0.457 120.806 121.223 0.066 0.000 2.046 123 L HA -0.212 4.128 4.340 0.000 0.000 0.208 123 L C 2.902 179.817 176.870 0.076 0.000 1.077 123 L CA 1.178 56.072 54.840 0.090 0.000 0.747 123 L CB -0.721 41.371 42.059 0.055 0.000 0.896 123 L HN 0.249 nan 8.230 nan 0.000 0.432 124 A N 0.096 122.921 122.820 0.009 0.000 1.892 124 A HA -0.216 4.104 4.320 0.000 0.000 0.218 124 A C 2.243 179.835 177.584 0.014 0.000 1.188 124 A CA 1.737 53.780 52.037 0.010 0.000 0.631 124 A CB -0.769 18.228 19.000 -0.006 0.000 0.822 124 A HN 0.372 nan 8.150 nan 0.000 0.447 125 L N -2.044 119.171 121.223 -0.014 0.000 2.093 125 L HA -0.154 4.186 4.340 0.000 0.000 0.208 125 L C 2.533 179.348 176.870 -0.092 0.000 1.085 125 L CA 1.514 56.313 54.840 -0.068 0.000 0.755 125 L CB -0.515 41.465 42.059 -0.132 0.000 0.904 125 L HN 0.496 nan 8.230 nan 0.000 0.435 126 H N -0.745 118.324 119.070 -0.001 0.000 2.357 126 H HA -0.048 4.508 4.556 0.000 0.000 0.301 126 H C 1.966 177.303 175.328 0.014 0.000 1.082 126 H CA 1.399 57.450 56.048 0.007 0.000 1.342 126 H CB 0.207 29.974 29.762 0.009 0.000 1.389 126 H HN 0.167 nan 8.280 nan 0.000 0.511 127 L N -1.463 119.841 121.223 0.135 0.000 2.590 127 L HA 0.249 4.589 4.340 0.000 0.000 0.227 127 L C 1.079 177.992 176.870 0.071 0.000 1.099 127 L CA 0.355 55.253 54.840 0.096 0.000 0.872 127 L CB 0.455 42.571 42.059 0.094 0.000 1.088 127 L HN 0.453 nan 8.230 nan 0.000 0.479 128 G N 1.869 110.702 108.800 0.054 0.000 2.272 128 G HA2 -0.220 3.740 3.960 0.000 0.000 0.280 128 G HA3 -0.220 3.740 3.960 0.000 0.000 0.280 128 G C 0.040 174.969 174.900 0.049 0.000 1.067 128 G CA 0.353 45.480 45.100 0.045 0.000 0.902 128 G HN 0.264 nan 8.290 nan 0.000 0.500 129 V N -3.176 116.763 119.914 0.042 0.000 2.815 129 V HA 0.946 5.066 4.120 0.000 0.000 0.314 129 V C -1.958 174.079 176.094 -0.096 0.000 1.064 129 V CA -2.949 59.364 62.300 0.022 0.000 0.952 129 V CB 2.072 33.961 31.823 0.110 0.000 1.020 129 V HN 0.070 nan 8.190 nan 0.000 0.439 130 P HA 0.267 nan 4.420 nan 0.000 0.272 130 P C -1.231 175.993 177.300 -0.127 0.000 1.223 130 P CA 0.377 63.212 63.100 -0.442 0.000 0.784 130 P CB 0.130 31.382 31.700 -0.746 0.000 0.923 131 H N 0.908 119.873 119.070 -0.175 0.000 2.539 131 H HA 0.673 5.229 4.556 -0.000 0.000 0.332 131 H C -1.330 173.940 175.328 -0.098 0.000 1.031 131 H CA -0.906 55.073 56.048 -0.115 0.000 1.206 131 H CB 0.640 30.353 29.762 -0.081 0.000 1.446 131 H HN 0.410 nan 8.280 nan 0.000 0.496 132 A N 5.761 128.368 122.820 -0.354 0.000 2.292 132 A HA 0.533 4.853 4.320 0.000 0.000 0.319 132 A C -0.281 177.026 177.584 -0.461 0.000 1.206 132 A CA -0.911 50.889 52.037 -0.395 0.000 0.835 132 A CB 0.486 19.368 19.000 -0.197 0.000 1.164 132 A HN 0.830 nan 8.150 nan 0.000 0.505 133 R N 2.389 122.656 120.500 -0.388 0.000 2.294 133 R HA 0.379 4.719 4.340 0.000 0.000 0.319 133 R C -0.683 175.624 176.300 0.012 0.000 0.984 133 R CA -0.298 55.730 56.100 -0.120 0.000 0.861 133 R CB 0.859 31.131 30.300 -0.047 0.000 1.104 133 R HN 0.841 nan 8.270 nan 0.000 0.451 134 Q N 3.258 123.045 119.800 -0.022 0.000 2.307 134 Q HA 0.195 4.535 4.340 0.000 0.000 0.262 134 Q C -0.699 175.246 176.000 -0.091 0.000 0.961 134 Q CA -0.646 55.136 55.803 -0.035 0.000 0.882 134 Q CB 1.695 30.459 28.738 0.044 0.000 1.264 134 Q HN 0.830 nan 8.270 nan 0.000 0.446 135 T N 0.543 115.031 114.554 -0.109 0.000 2.898 135 T HA 0.195 4.545 4.350 0.000 0.000 0.301 135 T C 0.358 175.068 174.700 0.017 0.000 1.049 135 T CA -0.383 61.635 62.100 -0.136 0.000 1.095 135 T CB 0.336 69.156 68.868 -0.080 0.000 0.976 135 T HN 0.811 nan 8.240 nan 0.000 0.539 136 W N 1.138 122.438 121.300 0.000 0.000 2.702 136 W HA 0.463 5.123 4.660 0.000 0.000 0.369 136 W C -0.703 175.803 176.519 -0.021 0.000 0.987 136 W CA -0.708 56.644 57.345 0.011 0.000 1.702 136 W CB -0.953 28.517 29.460 0.017 0.000 1.138 136 W HN 0.923 nan 8.180 nan 0.000 0.552 137 D N -1.293 119.301 120.400 0.324 0.000 2.865 137 D HA 0.414 5.054 4.640 0.000 0.000 0.343 137 D C 0.016 176.354 176.300 0.062 0.000 1.372 137 D CA -0.170 53.907 54.000 0.129 0.000 0.862 137 D CB 0.349 41.233 40.800 0.141 0.000 1.425 137 D HN -0.123 nan 8.370 nan 0.000 0.501 138 A N -0.190 122.639 122.820 0.016 0.000 2.462 138 A HA 0.505 4.825 4.320 0.000 0.000 0.261 138 A C 0.032 177.629 177.584 0.021 0.000 1.323 138 A CA -0.304 51.736 52.037 0.005 0.000 0.913 138 A CB -0.400 18.587 19.000 -0.023 0.000 1.028 138 A HN 0.291 nan 8.150 nan 0.000 0.511 139 V N 2.215 122.156 119.914 0.045 0.000 2.455 139 V HA 0.089 4.209 4.120 0.000 0.000 0.273 139 V C -0.534 175.573 176.094 0.022 0.000 1.045 139 V CA -0.851 61.472 62.300 0.039 0.000 0.976 139 V CB 0.732 32.594 31.823 0.065 0.000 0.993 139 V HN 0.456 nan 8.190 nan 0.000 0.475 140 D N 4.396 124.805 120.400 0.015 0.000 2.487 140 D HA 0.193 4.833 4.640 0.000 0.000 0.243 140 D C 0.659 176.935 176.300 -0.040 0.000 1.154 140 D CA 0.263 54.266 54.000 0.004 0.000 0.876 140 D CB 1.261 42.069 40.800 0.012 0.000 1.161 140 D HN 0.647 nan 8.370 nan 0.000 0.478 141 A N 2.513 125.280 122.820 -0.088 0.000 2.465 141 A HA -0.029 4.291 4.320 0.000 0.000 0.255 141 A C 1.536 178.992 177.584 -0.214 0.000 1.274 141 A CA -0.244 51.634 52.037 -0.265 0.000 0.920 141 A CB 0.000 18.665 19.000 -0.558 0.000 1.033 141 A HN 0.561 nan 8.150 nan 0.000 0.516 142 D N 0.258 120.624 120.400 -0.057 0.000 2.178 142 D HA -0.117 4.523 4.640 0.000 0.000 0.201 142 D C 1.472 177.770 176.300 -0.003 0.000 0.980 142 D CA 1.600 55.601 54.000 0.001 0.000 0.842 142 D CB -0.501 40.309 40.800 0.017 0.000 0.948 142 D HN 0.268 nan 8.370 nan 0.000 0.472 143 G N 0.063 108.853 108.800 -0.017 0.000 2.777 143 G HA2 0.123 4.083 3.960 0.000 0.000 0.211 143 G HA3 0.123 4.083 3.960 0.000 0.000 0.211 143 G C 1.807 176.704 174.900 -0.004 0.000 1.149 143 G CA -0.055 45.047 45.100 0.003 0.000 0.785 143 G HN 0.301 nan 8.290 nan 0.000 0.536 144 I N -0.295 120.235 120.570 -0.067 0.000 2.385 144 I HA 0.021 4.191 4.170 0.000 0.000 0.244 144 I C 2.380 178.472 176.117 -0.041 0.000 1.089 144 I CA 0.333 61.583 61.300 -0.083 0.000 1.410 144 I CB -0.270 37.615 38.000 -0.191 0.000 1.117 144 I HN 0.046 nan 8.210 nan 0.000 0.429 145 H N 0.893 119.970 119.070 0.011 0.000 2.353 145 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 145 H C -0.518 174.759 175.328 -0.085 0.000 1.103 145 H CA 1.531 57.567 56.048 -0.020 0.000 1.293 145 H CB -1.893 27.857 29.762 -0.020 0.000 1.372 145 H HN 0.277 nan 8.280 nan 0.000 0.501 146 P HA -0.079 nan 4.420 nan 0.000 0.218 146 P C 1.810 179.101 177.300 -0.015 0.000 1.149 146 P CA 1.605 64.710 63.100 0.008 0.000 0.817 146 P CB -0.312 31.399 31.700 0.017 0.000 0.785 147 G N 0.059 108.856 108.800 -0.005 0.000 2.408 147 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 147 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 147 G C 1.622 176.483 174.900 -0.064 0.000 1.150 147 G CA 0.832 45.928 45.100 -0.006 0.000 0.776 147 G HN 0.297 nan 8.290 nan 0.000 0.542 148 A N 1.269 124.005 122.820 -0.140 0.000 1.877 148 A HA -0.054 4.266 4.320 0.000 0.000 0.216 148 A C 2.101 179.503 177.584 -0.304 0.000 1.186 148 A CA 2.061 53.888 52.037 -0.350 0.000 0.620 148 A CB -0.486 17.994 19.000 -0.867 0.000 0.822 148 A HN 0.265 nan 8.150 nan 0.000 0.443 149 D N 0.244 120.510 120.400 -0.222 0.000 2.116 149 D HA -0.135 4.505 4.640 0.000 0.000 0.193 149 D C 2.246 178.485 176.300 -0.101 0.000 0.998 149 D CA 1.732 55.640 54.000 -0.155 0.000 0.836 149 D CB -0.538 40.201 40.800 -0.103 0.000 0.951 149 D HN 0.427 nan 8.370 nan 0.000 0.449 150 A N 0.764 123.543 122.820 -0.069 0.000 1.877 150 A HA -0.218 4.102 4.320 0.000 0.000 0.216 150 A C 2.159 179.722 177.584 -0.035 0.000 1.186 150 A CA 1.982 53.996 52.037 -0.038 0.000 0.620 150 A CB -0.540 18.452 19.000 -0.013 0.000 0.822 150 A HN 0.160 nan 8.150 nan 0.000 0.443 151 E N 0.104 120.275 120.200 -0.048 0.000 2.150 151 E HA -0.047 4.303 4.350 0.000 0.000 0.193 151 E C 1.448 178.026 176.600 -0.035 0.000 0.985 151 E CA 0.852 57.235 56.400 -0.028 0.000 0.814 151 E CB -0.358 29.324 29.700 -0.030 0.000 0.752 151 E HN 0.578 nan 8.360 nan 0.000 0.466 152 L N 0.280 121.457 121.223 -0.075 0.000 2.645 152 L HA 0.190 4.530 4.340 0.000 0.000 0.235 152 L C 2.172 179.018 176.870 -0.041 0.000 1.150 152 L CA -0.018 54.784 54.840 -0.065 0.000 0.911 152 L CB -0.222 41.768 42.059 -0.115 0.000 1.077 152 L HN 0.088 nan 8.230 nan 0.000 0.438 153 R N 1.250 121.731 120.500 -0.033 0.000 2.140 153 R HA -0.209 4.131 4.340 0.000 0.000 0.250 153 R C -0.525 175.770 176.300 -0.009 0.000 1.150 153 R CA 2.049 58.136 56.100 -0.022 0.000 0.966 153 R CB -0.893 29.398 30.300 -0.013 0.000 0.869 153 R HN 0.255 nan 8.270 nan 0.000 0.445 154 P HA -0.096 nan 4.420 nan 0.000 0.215 154 P C 0.501 177.812 177.300 0.018 0.000 1.157 154 P CA 1.337 64.444 63.100 0.012 0.000 0.863 154 P CB 0.076 31.789 31.700 0.020 0.000 0.787 155 E N -0.613 119.600 120.200 0.021 0.000 2.072 155 E HA -0.082 4.268 4.350 0.000 0.000 0.191 155 E C 2.015 178.624 176.600 0.016 0.000 0.985 155 E CA 0.912 57.338 56.400 0.043 0.000 0.801 155 E CB -1.062 28.669 29.700 0.050 0.000 0.750 155 E HN 0.184 nan 8.360 nan 0.000 0.452 156 L N 0.226 121.440 121.223 -0.015 0.000 2.109 156 L HA -0.121 4.219 4.340 0.000 0.000 0.207 156 L C 2.265 179.115 176.870 -0.033 0.000 1.086 156 L CA 0.785 55.602 54.840 -0.038 0.000 0.760 156 L CB -0.290 41.738 42.059 -0.052 0.000 0.910 156 L HN 0.092 nan 8.230 nan 0.000 0.437 157 S N -0.226 115.462 115.700 -0.019 0.000 2.359 157 S HA -0.282 4.188 4.470 0.000 0.000 0.224 157 S C 1.874 176.466 174.600 -0.013 0.000 1.035 157 S CA 1.637 59.828 58.200 -0.015 0.000 1.018 157 S CB -0.251 62.945 63.200 -0.006 0.000 0.876 157 S HN 0.428 nan 8.310 nan 0.000 0.448 158 E N 0.045 120.244 120.200 -0.002 0.000 2.267 158 E HA -0.152 4.198 4.350 0.000 0.000 0.197 158 E C 0.822 177.406 176.600 -0.026 0.000 0.998 158 E CA 0.760 57.163 56.400 0.004 0.000 0.830 158 E CB 0.046 29.771 29.700 0.042 0.000 0.751 158 E HN 0.234 nan 8.360 nan 0.000 0.491 159 L N -0.722 120.468 121.223 -0.056 0.000 2.607 159 L HA 0.270 4.610 4.340 0.000 0.000 0.228 159 L C 1.290 178.118 176.870 -0.070 0.000 1.123 159 L CA 0.964 55.745 54.840 -0.098 0.000 0.890 159 L CB 0.344 42.311 42.059 -0.154 0.000 1.103 159 L HN 0.225 nan 8.230 nan 0.000 0.468 160 G N 0.040 108.811 108.800 -0.047 0.000 2.160 160 G HA2 -0.249 3.711 3.960 0.000 0.000 0.244 160 G HA3 -0.249 3.711 3.960 0.000 0.000 0.244 160 G C 0.080 174.956 174.900 -0.040 0.000 1.022 160 G CA 0.358 45.435 45.100 -0.038 0.000 0.741 160 G HN 0.275 nan 8.290 nan 0.000 0.508 161 L N -1.567 119.630 121.223 -0.045 0.000 2.323 161 L HA 0.645 4.985 4.340 0.000 0.000 0.265 161 L C 1.113 177.957 176.870 -0.043 0.000 1.012 161 L CA -0.942 53.869 54.840 -0.047 0.000 0.820 161 L CB 1.829 43.853 42.059 -0.058 0.000 1.334 161 L HN 0.112 nan 8.230 nan 0.000 0.427 162 E N 0.247 120.421 120.200 -0.043 0.000 2.389 162 E HA 0.197 4.547 4.350 0.000 0.000 0.199 162 E C -0.336 176.232 176.600 -0.053 0.000 0.978 162 E CA 0.230 56.605 56.400 -0.041 0.000 0.912 162 E CB 0.780 30.461 29.700 -0.033 0.000 0.907 162 E HN 0.395 nan 8.360 nan 0.000 0.494 163 R N 0.124 120.586 120.500 -0.062 0.000 2.740 163 R HA 0.405 4.745 4.340 0.000 0.000 0.273 163 R C -0.950 175.295 176.300 -0.092 0.000 0.998 163 R CA -0.819 55.233 56.100 -0.079 0.000 0.900 163 R CB 1.655 31.913 30.300 -0.071 0.000 1.223 163 R HN -0.055 nan 8.270 nan 0.000 0.466 164 L N 3.581 124.733 121.223 -0.118 0.000 2.485 164 L HA 0.155 4.495 4.340 0.000 0.000 0.275 164 L C -1.565 175.242 176.870 -0.105 0.000 1.207 164 L CA -1.134 53.637 54.840 -0.115 0.000 0.855 164 L CB 0.140 42.118 42.059 -0.136 0.000 1.114 164 L HN 0.354 nan 8.230 nan 0.000 0.485 165 P HA 0.190 nan 4.420 nan 0.000 0.276 165 P C -0.943 176.308 177.300 -0.081 0.000 1.261 165 P CA -0.630 62.429 63.100 -0.068 0.000 0.800 165 P CB 0.725 32.401 31.700 -0.040 0.000 1.066 166 A N 1.875 124.644 122.820 -0.085 0.000 2.445 166 A HA 0.406 4.726 4.320 0.000 0.000 0.242 166 A C -1.892 175.651 177.584 -0.068 0.000 1.075 166 A CA -0.878 51.089 52.037 -0.118 0.000 0.777 166 A CB -1.635 17.301 19.000 -0.107 0.000 1.013 166 A HN 0.436 nan 8.150 nan 0.000 0.493 167 P HA 0.091 nan 4.420 nan 0.000 0.269 167 P C -0.017 177.231 177.300 -0.086 0.000 1.215 167 P CA -0.223 62.791 63.100 -0.144 0.000 0.780 167 P CB 0.485 32.016 31.700 -0.282 0.000 0.898 168 D N 0.177 120.528 120.400 -0.082 0.000 2.264 168 D HA -0.033 4.607 4.640 0.000 0.000 0.208 168 D C 0.427 176.721 176.300 -0.009 0.000 0.966 168 D CA 1.369 55.366 54.000 -0.004 0.000 0.864 168 D CB 0.185 40.989 40.800 0.006 0.000 0.933 168 D HN 0.117 nan 8.370 nan 0.000 0.499 169 L N -0.249 120.934 121.223 -0.066 0.000 2.543 169 L HA 0.368 4.708 4.340 0.000 0.000 0.265 169 L C -1.944 174.937 176.870 0.019 0.000 0.945 169 L CA -0.802 54.026 54.840 -0.020 0.000 0.869 169 L CB 2.026 44.055 42.059 -0.050 0.000 1.294 169 L HN -0.199 nan 8.230 nan 0.000 0.405 170 F N 6.135 126.015 119.950 -0.117 0.000 2.449 170 F HA 0.732 5.259 4.527 -0.000 0.000 0.342 170 F C -0.849 174.904 175.800 -0.078 0.000 1.127 170 F CA -0.728 57.201 58.000 -0.118 0.000 0.975 170 F CB 1.067 40.012 39.000 -0.093 0.000 1.146 170 F HN 0.403 nan 8.300 nan 0.000 0.444 171 I N 5.547 125.894 120.570 -0.370 0.000 2.406 171 I HA 0.300 4.471 4.170 0.000 0.000 0.290 171 I C -1.187 174.599 176.117 -0.551 0.000 0.999 171 I CA -0.561 60.524 61.300 -0.358 0.000 1.124 171 I CB 1.692 39.604 38.000 -0.146 0.000 1.289 171 I HN 0.463 nan 8.210 nan 0.000 0.441 172 D N 6.162 126.268 120.400 -0.490 0.000 2.593 172 D HA 0.341 4.981 4.640 0.000 0.000 0.251 172 D C 0.450 176.633 176.300 -0.195 0.000 1.140 172 D CA -0.506 53.229 54.000 -0.442 0.000 0.855 172 D CB 1.867 42.334 40.800 -0.555 0.000 1.267 172 D HN 0.562 nan 8.370 nan 0.000 0.532 173 I N 0.500 121.007 120.570 -0.106 0.000 3.684 173 I HA 0.234 4.404 4.170 0.000 0.000 0.304 173 I C 0.902 177.005 176.117 -0.023 0.000 1.278 173 I CA -0.444 60.844 61.300 -0.020 0.000 1.272 173 I CB -0.083 37.955 38.000 0.063 0.000 1.029 173 I HN 0.169 nan 8.210 nan 0.000 0.458 174 C N 4.217 123.486 119.300 -0.051 0.000 2.651 174 C HA 0.311 4.771 4.460 0.000 0.000 0.410 174 C C -1.804 173.162 174.990 -0.041 0.000 1.372 174 C CA -1.262 57.731 59.018 -0.042 0.000 1.707 174 C CB -0.437 27.283 27.740 -0.033 0.000 2.501 174 C HN 0.278 nan 8.230 nan 0.000 0.598 175 P HA 0.119 nan 4.420 nan 0.000 0.265 175 P C -1.976 175.298 177.300 -0.043 0.000 1.193 175 P CA -0.651 62.420 63.100 -0.049 0.000 0.765 175 P CB 0.213 31.862 31.700 -0.085 0.000 0.823 176 P HA -0.174 nan 4.420 nan 0.000 0.216 176 P C 1.241 178.540 177.300 -0.001 0.000 1.153 176 P CA 1.703 64.796 63.100 -0.010 0.000 0.858 176 P CB -0.196 31.504 31.700 0.000 0.000 0.789 177 S N -0.944 114.751 115.700 -0.009 0.000 2.440 177 S HA -0.064 4.406 4.470 0.000 0.000 0.238 177 S C 1.420 176.023 174.600 0.004 0.000 1.010 177 S CA 0.974 59.188 58.200 0.023 0.000 0.972 177 S CB -0.757 62.452 63.200 0.015 0.000 0.774 177 S HN 0.181 nan 8.310 nan 0.000 0.501 178 L N 0.018 121.216 121.223 -0.043 0.000 2.808 178 L HA 0.318 4.658 4.340 0.000 0.000 0.246 178 L C 0.743 177.611 176.870 -0.004 0.000 1.153 178 L CA -0.192 54.630 54.840 -0.029 0.000 0.956 178 L CB 0.088 42.103 42.059 -0.073 0.000 1.270 178 L HN -0.001 nan 8.230 nan 0.000 0.528 179 R N 2.039 122.541 120.500 0.003 0.000 2.254 179 R HA 0.352 4.692 4.340 0.000 0.000 0.318 179 R C -2.271 174.046 176.300 0.027 0.000 1.031 179 R CA -1.560 54.548 56.100 0.013 0.000 0.905 179 R CB 0.951 31.255 30.300 0.008 0.000 1.050 179 R HN -0.148 nan 8.270 nan 0.000 0.456 180 P HA 0.032 nan 4.420 nan 0.000 0.269 180 P C -0.263 177.060 177.300 0.038 0.000 1.209 180 P CA 0.013 63.135 63.100 0.036 0.000 0.776 180 P CB 0.994 32.717 31.700 0.037 0.000 0.876 181 A N 2.847 125.688 122.820 0.034 0.000 2.125 181 A HA -0.172 4.148 4.320 0.000 0.000 0.219 181 A C 1.494 179.098 177.584 0.034 0.000 1.156 181 A CA 1.491 53.547 52.037 0.032 0.000 0.671 181 A CB -1.009 18.007 19.000 0.027 0.000 0.794 181 A HN 0.708 nan 8.150 nan 0.000 0.459 182 N N 0.117 118.838 118.700 0.035 0.000 2.280 182 N HA 0.280 5.020 4.740 0.000 0.000 0.192 182 N C 0.448 175.985 175.510 0.045 0.000 1.109 182 N CA 0.547 53.617 53.050 0.034 0.000 0.855 182 N CB -0.575 37.928 38.487 0.027 0.000 0.974 182 N HN 0.301 nan 8.380 nan 0.000 0.482 183 A N 0.510 123.368 122.820 0.063 0.000 2.483 183 A HA 0.571 4.891 4.320 0.000 0.000 0.238 183 A C 0.652 178.305 177.584 0.115 0.000 1.070 183 A CA -0.073 52.028 52.037 0.105 0.000 0.770 183 A CB -0.150 18.926 19.000 0.126 0.000 1.008 183 A HN 0.512 nan 8.150 nan 0.000 0.497 184 A N 2.823 125.736 122.820 0.155 0.000 2.386 184 A HA 0.574 4.894 4.320 0.000 0.000 0.248 184 A C -2.151 175.564 177.584 0.218 0.000 1.082 184 A CA -1.226 50.889 52.037 0.130 0.000 0.789 184 A CB -0.725 18.277 19.000 0.003 0.000 1.025 184 A HN 0.677 nan 8.150 nan 0.000 0.490 185 P HA 0.311 nan 4.420 nan 0.000 0.262 185 P C -0.445 176.965 177.300 0.183 0.000 1.182 185 P CA 0.749 63.922 63.100 0.122 0.000 0.761 185 P CB 0.629 32.375 31.700 0.077 0.000 0.795 186 A N 3.264 126.125 122.820 0.067 0.000 2.515 186 A HA 0.644 4.964 4.320 0.000 0.000 0.296 186 A C -0.575 176.962 177.584 -0.078 0.000 1.094 186 A CA -0.787 51.213 52.037 -0.061 0.000 0.718 186 A CB 1.482 20.267 19.000 -0.358 0.000 1.307 186 A HN 0.286 nan 8.150 nan 0.000 0.408 187 R N 1.657 122.094 120.500 -0.105 0.000 2.242 187 R HA 0.265 4.605 4.340 0.000 0.000 0.334 187 R C -0.206 176.023 176.300 -0.119 0.000 1.071 187 R CA 0.056 56.107 56.100 -0.080 0.000 0.922 187 R CB 0.107 30.372 30.300 -0.058 0.000 1.023 187 R HN 0.790 nan 8.270 nan 0.000 0.458 188 M N 3.107 122.655 119.600 -0.086 0.000 2.248 188 M HA 0.233 4.713 4.480 0.000 0.000 0.337 188 M C 0.487 176.750 176.300 -0.061 0.000 1.121 188 M CA 0.919 56.168 55.300 -0.084 0.000 1.155 188 M CB 0.524 33.093 32.600 -0.052 0.000 1.514 188 M HN 0.368 nan 8.290 nan 0.000 0.452 189 M N 1.713 121.281 119.600 -0.053 0.000 2.322 189 M HA 0.362 4.842 4.480 0.000 0.000 0.286 189 M C -0.882 175.420 176.300 0.003 0.000 1.111 189 M CA -0.628 54.660 55.300 -0.021 0.000 0.941 189 M CB 2.363 34.952 32.600 -0.018 0.000 1.671 189 M HN 0.725 nan 8.290 nan 0.000 0.470 190 R N 2.685 123.191 120.500 0.010 0.000 2.502 190 R HA -0.007 4.333 4.340 0.000 0.000 0.292 190 R C -0.761 175.572 176.300 0.055 0.000 0.998 190 R CA 0.239 56.355 56.100 0.026 0.000 1.056 190 R CB 0.225 30.527 30.300 0.004 0.000 0.939 190 R HN 0.746 nan 8.270 nan 0.000 0.411 191 H N 3.064 122.133 119.070 -0.000 0.000 2.848 191 H HA 0.174 4.730 4.556 0.000 0.000 0.317 191 H C -1.074 174.261 175.328 0.011 0.000 1.046 191 H CA -0.043 56.014 56.048 0.014 0.000 1.470 191 H CB 0.670 30.444 29.762 0.019 0.000 1.483 191 H HN 0.202 nan 8.280 nan 0.000 0.548 192 V N 5.391 124.998 119.914 -0.511 0.000 2.378 192 V HA 0.447 4.567 4.120 0.000 0.000 0.288 192 V C 0.162 175.911 176.094 -0.575 0.000 1.016 192 V CA -0.571 61.468 62.300 -0.435 0.000 0.840 192 V CB 1.061 32.772 31.823 -0.187 0.000 0.994 192 V HN 1.107 nan 8.190 nan 0.000 0.431 193 A N 4.580 127.114 122.820 -0.476 0.000 2.491 193 A HA 0.585 4.905 4.320 0.000 0.000 0.261 193 A C 0.506 177.992 177.584 -0.163 0.000 1.101 193 A CA 0.263 52.148 52.037 -0.253 0.000 0.772 193 A CB -0.165 18.779 19.000 -0.093 0.000 1.043 193 A HN 0.821 nan 8.150 nan 0.000 0.501 194 T N 1.355 115.827 114.554 -0.136 0.000 2.906 194 T HA 0.815 5.165 4.350 0.000 0.000 0.295 194 T C 0.004 174.394 174.700 -0.516 0.000 1.075 194 T CA -0.038 61.939 62.100 -0.204 0.000 1.005 194 T CB 1.767 70.577 68.868 -0.097 0.000 1.136 194 T HN 1.450 nan 8.240 nan 0.000 0.498 195 S N 0.397 115.704 115.700 -0.656 0.000 2.724 195 S HA 0.565 5.035 4.470 0.000 0.000 0.278 195 S C -1.409 172.866 174.600 -0.542 0.000 1.190 195 S CA -1.303 56.115 58.200 -1.305 0.000 0.860 195 S CB 0.981 63.701 63.200 -0.800 0.000 1.206 195 S HN 0.626 nan 8.310 nan 0.000 0.507 196 R N 0.999 121.359 120.500 -0.233 0.000 2.491 196 R HA 0.367 4.707 4.340 0.000 0.000 0.283 196 R C -0.286 176.046 176.300 0.052 0.000 1.072 196 R CA -0.292 55.852 56.100 0.073 0.000 1.048 196 R CB 0.264 30.687 30.300 0.205 0.000 0.983 196 R HN 0.552 nan 8.270 nan 0.000 0.450 197 Q N 1.402 121.225 119.800 0.039 0.000 2.248 197 Q HA 0.433 4.773 4.340 0.000 0.000 0.263 197 Q C -0.104 175.922 176.000 0.043 0.000 1.007 197 Q CA -0.517 55.298 55.803 0.019 0.000 0.877 197 Q CB 2.211 30.941 28.738 -0.013 0.000 1.315 197 Q HN 0.801 nan 8.270 nan 0.000 0.454 198 C N -1.542 117.774 119.300 0.026 0.000 3.154 198 C HA 0.772 5.232 4.460 0.000 0.000 0.312 198 C C -2.522 172.471 174.990 0.006 0.000 1.349 198 C CA -2.174 56.864 59.018 0.033 0.000 1.518 198 C CB 0.178 27.956 27.740 0.064 0.000 1.934 198 C HN 0.597 nan 8.230 nan 0.000 0.462 199 P HA 0.233 nan 4.420 nan 0.000 0.261 199 P C -0.496 176.801 177.300 -0.006 0.000 1.183 199 P CA 0.355 63.459 63.100 0.007 0.000 0.761 199 P CB 0.237 31.950 31.700 0.020 0.000 0.785 200 L N 3.299 124.518 121.223 -0.007 0.000 2.410 200 L HA 0.126 4.466 4.340 0.000 0.000 0.273 200 L C 1.000 177.883 176.870 0.021 0.000 1.152 200 L CA 0.234 55.075 54.840 0.002 0.000 0.855 200 L CB 0.228 42.328 42.059 0.069 0.000 1.129 200 L HN 0.387 nan 8.230 nan 0.000 0.463 201 E N 4.527 124.647 120.200 -0.134 0.000 2.179 201 E HA 0.207 4.557 4.350 0.000 0.000 0.275 201 E C -1.756 174.574 176.600 -0.450 0.000 0.945 201 E CA -1.828 54.458 56.400 -0.189 0.000 0.792 201 E CB 1.841 31.451 29.700 -0.150 0.000 1.125 201 E HN 0.348 nan 8.360 nan 0.000 0.397 202 P HA -0.225 nan 4.420 nan 0.000 0.218 202 P C 1.107 177.888 177.300 -0.865 0.000 1.150 202 P CA 1.431 64.055 63.100 -0.794 0.000 0.841 202 P CB -0.052 31.492 31.700 -0.259 0.000 0.784 203 W N -1.363 119.692 121.300 -0.407 0.000 2.519 203 W HA 0.003 4.663 4.660 -0.000 0.000 0.266 203 W C 1.363 177.731 176.519 -0.253 0.000 1.253 203 W CA 0.586 57.761 57.345 -0.284 0.000 1.274 203 W CB -1.616 27.747 29.460 -0.163 0.000 1.114 203 W HN -0.013 nan 8.180 nan 0.000 0.596 204 M N 0.787 119.716 119.600 -1.119 0.000 2.279 204 M HA -0.162 4.318 4.480 0.000 0.000 0.264 204 M C 1.581 177.706 176.300 -0.292 0.000 1.062 204 M CA 2.131 56.910 55.300 -0.868 0.000 1.099 204 M CB -0.740 31.334 32.600 -0.876 0.000 1.394 204 M HN 0.186 nan 8.290 nan 0.000 0.426 205 Y N -2.653 117.517 120.300 -0.215 0.000 2.471 205 Y HA 0.416 4.966 4.550 -0.000 0.000 0.249 205 Y C 0.134 176.009 175.900 -0.042 0.000 1.116 205 Y CA -0.698 57.336 58.100 -0.110 0.000 1.240 205 Y CB -0.351 38.042 38.460 -0.111 0.000 1.251 205 Y HN -0.219 nan 8.280 nan 0.000 0.527 206 T N 3.725 118.142 114.554 -0.229 0.000 2.753 206 T HA 0.432 4.782 4.350 0.000 0.000 0.297 206 T C -0.169 174.528 174.700 -0.005 0.000 0.981 206 T CA -0.636 61.414 62.100 -0.083 0.000 0.956 206 T CB 0.908 69.680 68.868 -0.159 0.000 0.936 206 T HN 0.200 nan 8.240 nan 0.000 0.463 207 R N 2.259 122.778 120.500 0.030 0.000 2.528 207 R HA 0.535 4.875 4.340 0.000 0.000 0.271 207 R C 0.206 176.526 176.300 0.034 0.000 1.056 207 R CA -0.700 55.424 56.100 0.041 0.000 1.117 207 R CB 0.697 31.023 30.300 0.044 0.000 1.085 207 R HN 0.789 nan 8.270 nan 0.000 0.530 208 D N -1.724 118.697 120.400 0.035 0.000 2.712 208 D HA 0.121 4.761 4.640 0.000 0.000 0.252 208 D C 0.774 177.092 176.300 0.030 0.000 1.123 208 D CA -0.634 53.383 54.000 0.028 0.000 1.109 208 D CB 0.486 41.299 40.800 0.021 0.000 1.313 208 D HN 0.418 nan 8.370 nan 0.000 0.629 209 T N -2.744 111.826 114.554 0.025 0.000 2.951 209 T HA -0.010 4.340 4.350 0.000 0.000 0.268 209 T C 0.876 175.596 174.700 0.034 0.000 1.073 209 T CA 0.244 62.360 62.100 0.026 0.000 1.134 209 T CB -0.522 68.357 68.868 0.019 0.000 0.884 209 T HN 0.294 nan 8.240 nan 0.000 0.479 210 R N 2.479 123.000 120.500 0.035 0.000 2.502 210 R HA 0.106 4.446 4.340 0.000 0.000 0.292 210 R C -0.141 176.191 176.300 0.053 0.000 0.998 210 R CA 0.044 56.172 56.100 0.047 0.000 1.056 210 R CB -0.242 30.081 30.300 0.039 0.000 0.939 210 R HN 0.492 nan 8.270 nan 0.000 0.411 211 Q N 1.585 121.424 119.800 0.066 0.000 2.556 211 Q HA -0.276 4.064 4.340 0.000 0.000 0.216 211 Q C -0.574 175.465 176.000 0.065 0.000 1.348 211 Q CA 0.874 56.725 55.803 0.080 0.000 0.729 211 Q CB -0.429 28.381 28.738 0.120 0.000 0.830 211 Q HN 0.443 nan 8.270 nan 0.000 0.308 212 R N 1.743 122.278 120.500 0.058 0.000 2.288 212 R HA 0.473 4.813 4.340 0.000 0.000 0.326 212 R C -1.116 175.211 176.300 0.044 0.000 0.959 212 R CA -0.377 55.754 56.100 0.052 0.000 0.834 212 R CB 1.222 31.561 30.300 0.065 0.000 1.157 212 R HN 0.228 nan 8.270 nan 0.000 0.470 213 V N 6.129 126.061 119.914 0.030 0.000 2.384 213 V HA 0.353 4.473 4.120 0.000 0.000 0.287 213 V C -0.302 175.809 176.094 0.030 0.000 1.020 213 V CA -0.815 61.498 62.300 0.023 0.000 0.850 213 V CB 1.622 33.447 31.823 0.003 0.000 0.987 213 V HN 0.659 nan 8.190 nan 0.000 0.436 214 L N 6.272 127.524 121.223 0.048 0.000 2.280 214 L HA 0.592 4.932 4.340 0.000 0.000 0.287 214 L C -0.814 176.113 176.870 0.095 0.000 1.023 214 L CA -0.426 54.449 54.840 0.058 0.000 0.819 214 L CB 1.721 43.819 42.059 0.065 0.000 1.212 214 L HN 0.424 nan 8.230 nan 0.000 0.420 215 V N 4.040 124.015 119.914 0.102 0.000 2.370 215 V HA 0.456 4.576 4.120 0.000 0.000 0.279 215 V C 0.242 176.464 176.094 0.213 0.000 1.029 215 V CA -0.247 62.175 62.300 0.203 0.000 0.870 215 V CB 1.507 33.457 31.823 0.213 0.000 0.984 215 V HN 0.831 nan 8.190 nan 0.000 0.451 216 T N 1.967 116.731 114.554 0.351 0.000 2.909 216 T HA 0.358 4.708 4.350 0.000 0.000 0.299 216 T C 0.709 175.769 174.700 0.601 0.000 1.073 216 T CA 0.157 62.462 62.100 0.342 0.000 0.999 216 T CB 1.950 70.928 68.868 0.183 0.000 1.098 216 T HN 0.763 nan 8.240 nan 0.000 0.477 217 S N 1.806 117.899 115.700 0.655 0.000 2.556 217 S HA 0.415 4.885 4.470 0.000 0.000 0.216 217 S C 1.822 176.760 174.600 0.564 0.000 0.970 217 S CA 0.809 59.438 58.200 0.715 0.000 0.912 217 S CB -0.299 63.288 63.200 0.646 0.000 0.790 217 S HN 1.840 nan 8.310 nan 0.000 0.504 218 G N 1.644 110.773 108.800 0.549 0.000 2.990 218 G HA2 -0.331 3.629 3.960 0.000 0.000 0.225 218 G HA3 -0.331 3.629 3.960 0.000 0.000 0.225 218 G C 0.302 175.561 174.900 0.598 0.000 1.304 218 G CA 0.436 45.811 45.100 0.459 0.000 0.816 218 G HN 1.677 nan 8.290 nan 0.000 0.528 219 S N 0.388 116.358 115.700 0.450 0.000 2.599 219 S HA 0.710 5.180 4.470 0.000 0.000 0.294 219 S C 0.992 175.292 174.600 -0.500 0.000 1.094 219 S CA 0.272 58.578 58.200 0.178 0.000 0.931 219 S CB 2.082 65.374 63.200 0.153 0.000 1.093 219 S HN 1.022 nan 8.310 nan 0.000 0.488 220 R N 0.592 120.381 120.500 -1.185 0.000 2.307 220 R HA 0.128 4.468 4.340 0.000 0.000 0.199 220 R C 0.256 176.229 176.300 -0.546 0.000 1.000 220 R CA 0.041 55.315 56.100 -1.377 0.000 1.023 220 R CB -0.892 28.387 30.300 -1.701 0.000 0.908 220 R HN 0.446 nan 8.270 nan 0.000 0.473 221 V N 1.711 121.417 119.914 -0.347 0.000 2.715 221 V HA 0.145 4.265 4.120 0.000 0.000 0.299 221 V C 1.593 177.591 176.094 -0.160 0.000 1.054 221 V CA 0.510 62.684 62.300 -0.209 0.000 1.077 221 V CB 1.255 32.980 31.823 -0.164 0.000 0.972 221 V HN 0.474 nan 8.190 nan 0.000 0.484 222 A N 5.534 128.278 122.820 -0.126 0.000 2.015 222 A HA -0.004 4.316 4.320 0.000 0.000 0.219 222 A C 1.048 178.572 177.584 -0.100 0.000 1.163 222 A CA 1.265 53.246 52.037 -0.093 0.000 0.646 222 A CB -0.074 18.880 19.000 -0.077 0.000 0.806 222 A HN 0.712 nan 8.150 nan 0.000 0.448 223 K N 0.870 121.196 120.400 -0.123 0.000 2.621 223 K HA 0.444 4.764 4.320 0.000 0.000 0.233 223 K C -1.096 175.400 176.600 -0.173 0.000 0.972 223 K CA -0.321 55.879 56.287 -0.146 0.000 0.988 223 K CB 0.957 33.381 32.500 -0.127 0.000 1.187 223 K HN 0.292 nan 8.250 nan 0.000 0.471 224 E N 0.941 120.987 120.200 -0.257 0.000 2.359 224 E HA 0.135 4.485 4.350 0.000 0.000 0.255 224 E C 0.413 176.883 176.600 -0.217 0.000 1.191 224 E CA -0.178 56.052 56.400 -0.283 0.000 0.952 224 E CB 0.856 30.292 29.700 -0.439 0.000 1.152 224 E HN 0.610 nan 8.360 nan 0.000 0.496 225 S N 0.038 115.737 115.700 -0.001 0.000 2.720 225 S HA 0.043 4.513 4.470 0.000 0.000 0.222 225 S C -0.280 174.513 174.600 0.322 0.000 0.958 225 S CA -0.092 58.235 58.200 0.212 0.000 0.943 225 S CB -0.688 62.765 63.200 0.423 0.000 0.779 225 S HN 0.435 nan 8.310 nan 0.000 0.526 226 Y N -1.968 118.386 120.300 0.090 0.000 2.571 226 Y HA 0.741 5.291 4.550 0.000 0.000 0.341 226 Y C -1.220 174.686 175.900 0.010 0.000 1.076 226 Y CA -1.866 56.282 58.100 0.079 0.000 1.029 226 Y CB 0.165 38.684 38.460 0.099 0.000 1.308 226 Y HN -0.144 nan 8.280 nan 0.000 0.461 227 D N 1.885 122.314 120.400 0.049 0.000 2.372 227 D HA 0.478 5.118 4.640 0.000 0.000 0.243 227 D C -0.694 175.469 176.300 -0.228 0.000 1.121 227 D CA 0.098 54.034 54.000 -0.107 0.000 0.898 227 D CB 0.643 41.393 40.800 -0.083 0.000 1.202 227 D HN 0.495 nan 8.370 nan 0.000 0.428 228 R N 1.302 121.587 120.500 -0.358 0.000 2.698 228 R HA 0.658 4.998 4.340 0.000 0.000 0.275 228 R C -1.194 174.809 176.300 -0.495 0.000 1.001 228 R CA -1.002 54.725 56.100 -0.621 0.000 0.896 228 R CB 1.973 32.165 30.300 -0.181 0.000 1.218 228 R HN 0.663 nan 8.270 nan 0.000 0.462 229 N N 1.304 119.559 118.700 -0.743 0.000 5.634 229 N HA 0.133 4.873 4.740 0.000 0.000 0.150 229 N C -1.329 174.193 175.510 0.021 0.000 1.008 229 N CA -0.160 52.776 53.050 -0.190 0.000 1.120 229 N CB 0.531 38.974 38.487 -0.074 0.000 1.499 229 N HN 0.515 nan 8.380 nan 0.000 0.865 230 F N 0.274 120.416 119.950 0.319 0.000 0.974 230 F HA -0.095 4.432 4.527 0.000 0.000 0.321 230 F C 1.031 176.693 175.800 -0.229 0.000 0.547 230 F CA -0.025 57.896 58.000 -0.132 0.000 2.735 230 F CB -1.293 37.699 39.000 -0.014 0.000 3.670 230 F HN 0.467 nan 8.300 nan 0.000 0.201 231 D N 1.465 121.935 120.400 0.118 0.000 2.182 231 D HA -0.123 4.517 4.640 0.000 0.000 0.201 231 D C 2.130 178.465 176.300 0.057 0.000 0.986 231 D CA 1.952 55.995 54.000 0.072 0.000 0.847 231 D CB -0.630 40.233 40.800 0.105 0.000 0.942 231 D HN 0.470 nan 8.370 nan 0.000 0.467 232 F N -0.133 119.885 119.950 0.112 0.000 2.333 232 F HA -0.004 4.523 4.527 0.000 0.000 0.300 232 F C 1.942 177.787 175.800 0.074 0.000 1.083 232 F CA 0.436 58.483 58.000 0.077 0.000 1.395 232 F CB -0.577 38.461 39.000 0.063 0.000 1.056 232 F HN -0.089 nan 8.300 nan 0.000 0.529 233 L N 1.503 122.398 121.223 -0.546 0.000 2.046 233 L HA -0.193 4.147 4.340 0.000 0.000 0.208 233 L C 3.161 179.961 176.870 -0.117 0.000 1.077 233 L CA 1.695 56.291 54.840 -0.407 0.000 0.747 233 L CB -0.563 41.224 42.059 -0.453 0.000 0.896 233 L HN 0.326 nan 8.230 nan 0.000 0.432 234 R N 0.344 120.794 120.500 -0.083 0.000 2.096 234 R HA -0.168 4.172 4.340 0.000 0.000 0.240 234 R C 1.869 178.168 176.300 -0.002 0.000 1.139 234 R CA 2.036 58.114 56.100 -0.037 0.000 0.952 234 R CB -1.550 28.735 30.300 -0.025 0.000 0.854 234 R HN 0.326 nan 8.270 nan 0.000 0.436 235 G N 1.423 110.238 108.800 0.026 0.000 2.421 235 G HA2 -0.097 3.863 3.960 0.000 0.000 0.217 235 G HA3 -0.097 3.863 3.960 0.000 0.000 0.217 235 G C 1.690 176.617 174.900 0.045 0.000 1.143 235 G CA 0.311 45.435 45.100 0.040 0.000 0.784 235 G HN 0.254 nan 8.290 nan 0.000 0.541 236 L N 0.506 121.771 121.223 0.071 0.000 2.056 236 L HA 0.013 4.353 4.340 0.000 0.000 0.207 236 L C 3.218 180.104 176.870 0.026 0.000 1.078 236 L CA 1.349 56.233 54.840 0.072 0.000 0.749 236 L CB -0.287 41.882 42.059 0.183 0.000 0.901 236 L HN 0.321 nan 8.230 nan 0.000 0.433 237 A N -0.185 122.642 122.820 0.012 0.000 1.972 237 A HA -0.233 4.087 4.320 0.000 0.000 0.219 237 A C 2.212 179.801 177.584 0.009 0.000 1.169 237 A CA 1.591 53.626 52.037 -0.002 0.000 0.635 237 A CB -0.314 18.672 19.000 -0.023 0.000 0.810 237 A HN 0.383 nan 8.150 nan 0.000 0.446 238 K N -0.217 120.192 120.400 0.015 0.000 2.057 238 K HA -0.139 4.181 4.320 0.000 0.000 0.207 238 K C 1.459 178.088 176.600 0.048 0.000 1.049 238 K CA 1.425 57.729 56.287 0.028 0.000 0.931 238 K CB -0.216 32.300 32.500 0.026 0.000 0.714 238 K HN 0.453 nan 8.250 nan 0.000 0.440 239 D N 1.038 121.460 120.400 0.036 0.000 2.117 239 D HA -0.149 4.491 4.640 0.000 0.000 0.197 239 D C 1.997 178.332 176.300 0.058 0.000 0.987 239 D CA 1.114 55.138 54.000 0.039 0.000 0.829 239 D CB -0.102 40.683 40.800 -0.026 0.000 0.961 239 D HN 0.161 nan 8.370 nan 0.000 0.460 240 L N 0.634 121.862 121.223 0.007 0.000 2.093 240 L HA -0.111 4.229 4.340 0.000 0.000 0.208 240 L C 2.636 179.592 176.870 0.143 0.000 1.085 240 L CA 0.432 55.288 54.840 0.026 0.000 0.755 240 L CB -0.436 41.612 42.059 -0.018 0.000 0.904 240 L HN -0.096 nan 8.230 nan 0.000 0.435 241 V N 0.057 120.029 119.914 0.097 0.000 2.380 241 V HA -0.315 3.805 4.120 0.000 0.000 0.251 241 V C 2.595 178.762 176.094 0.122 0.000 1.063 241 V CA 1.793 64.146 62.300 0.088 0.000 1.055 241 V CB -0.710 31.141 31.823 0.046 0.000 0.657 241 V HN 0.427 nan 8.190 nan 0.000 0.455 242 R N -1.818 118.785 120.500 0.172 0.000 2.235 242 R HA -0.142 4.198 4.340 0.000 0.000 0.213 242 R C 1.512 177.907 176.300 0.159 0.000 1.059 242 R CA 1.008 57.202 56.100 0.157 0.000 0.997 242 R CB -0.066 30.340 30.300 0.177 0.000 0.884 242 R HN 0.584 nan 8.270 nan 0.000 0.462 243 W N 0.622 121.922 121.300 0.000 0.000 3.330 243 W HA 0.128 4.788 4.660 -0.000 0.000 0.348 243 W C 0.204 176.723 176.519 -0.001 0.000 1.205 243 W CA -0.436 56.910 57.345 0.002 0.000 1.841 243 W CB 0.070 29.533 29.460 0.004 0.000 1.084 243 W HN 0.067 nan 8.180 nan 0.000 0.665 244 D N 0.286 120.779 120.400 0.155 0.000 2.814 244 D HA -0.195 4.445 4.640 0.000 0.000 0.225 244 D C 0.091 176.456 176.300 0.108 0.000 1.170 244 D CA 0.600 54.656 54.000 0.093 0.000 0.638 244 D CB -0.845 39.980 40.800 0.042 0.000 1.050 244 D HN -0.127 nan 8.370 nan 0.000 0.418 245 V N 0.835 120.843 119.914 0.157 0.000 2.673 245 V HA -0.075 4.045 4.120 0.000 0.000 0.303 245 V C 1.067 177.193 176.094 0.053 0.000 1.046 245 V CA 0.276 62.645 62.300 0.116 0.000 1.126 245 V CB 1.316 33.202 31.823 0.105 0.000 0.934 245 V HN 0.221 nan 8.190 nan 0.000 0.487 246 E N 5.467 125.687 120.200 0.034 0.000 2.070 246 E HA 0.171 4.521 4.350 0.000 0.000 0.282 246 E C -0.818 175.771 176.600 -0.018 0.000 1.104 246 E CA -0.463 55.935 56.400 -0.003 0.000 0.876 246 E CB 0.612 30.310 29.700 -0.003 0.000 1.055 246 E HN 0.533 nan 8.360 nan 0.000 0.401 247 L N 7.246 128.444 121.223 -0.041 0.000 2.264 247 L HA 0.424 4.764 4.340 0.000 0.000 0.289 247 L C -0.786 176.023 176.870 -0.102 0.000 1.044 247 L CA -0.470 54.340 54.840 -0.049 0.000 0.807 247 L CB 0.761 42.796 42.059 -0.040 0.000 1.192 247 L HN 0.665 nan 8.230 nan 0.000 0.425 248 I N 5.284 125.800 120.570 -0.089 0.000 2.433 248 I HA 0.362 4.532 4.170 0.000 0.000 0.292 248 I C -0.584 175.477 176.117 -0.094 0.000 1.001 248 I CA -0.735 60.478 61.300 -0.145 0.000 1.119 248 I CB 2.210 40.154 38.000 -0.094 0.000 1.289 248 I HN 0.221 nan 8.210 nan 0.000 0.438 249 V N 5.461 125.298 119.914 -0.127 0.000 2.378 249 V HA 0.584 4.704 4.120 0.000 0.000 0.288 249 V C 0.138 176.180 176.094 -0.087 0.000 1.016 249 V CA -0.607 61.630 62.300 -0.106 0.000 0.840 249 V CB 1.476 33.210 31.823 -0.148 0.000 0.994 249 V HN 0.805 nan 8.190 nan 0.000 0.431 250 A N 4.275 127.055 122.820 -0.066 0.000 2.253 250 A HA 0.940 5.260 4.320 0.000 0.000 0.316 250 A C 0.110 177.850 177.584 0.262 0.000 1.327 250 A CA 0.049 52.048 52.037 -0.063 0.000 0.917 250 A CB 0.695 19.396 19.000 -0.500 0.000 1.162 250 A HN 1.385 nan 8.150 nan 0.000 0.535 251 A N 3.830 126.910 122.820 0.432 0.000 2.594 251 A HA 0.910 5.230 4.320 0.000 0.000 0.291 251 A C -3.201 174.509 177.584 0.209 0.000 1.105 251 A CA -1.745 50.439 52.037 0.244 0.000 0.694 251 A CB 0.927 19.812 19.000 -0.192 0.000 1.291 251 A HN 0.489 nan 8.150 nan 0.000 0.410 252 P HA 0.099 nan 4.420 nan 0.000 0.266 252 P C -0.217 177.070 177.300 -0.021 0.000 1.195 252 P CA 0.264 63.329 63.100 -0.059 0.000 0.768 252 P CB 0.499 32.167 31.700 -0.052 0.000 0.838 253 D N 0.844 121.225 120.400 -0.031 0.000 2.190 253 D HA -0.135 4.505 4.640 0.000 0.000 0.200 253 D C 1.611 177.902 176.300 -0.015 0.000 0.992 253 D CA 1.722 55.718 54.000 -0.006 0.000 0.854 253 D CB -0.611 40.182 40.800 -0.012 0.000 0.936 253 D HN 0.365 nan 8.370 nan 0.000 0.462 254 T N 0.021 114.560 114.554 -0.024 0.000 2.770 254 T HA -0.051 4.299 4.350 0.000 0.000 0.263 254 T C 2.236 176.922 174.700 -0.024 0.000 1.039 254 T CA 0.697 62.783 62.100 -0.022 0.000 1.142 254 T CB -0.165 68.690 68.868 -0.023 0.000 0.868 254 T HN -0.029 nan 8.240 nan 0.000 0.435 255 V N 2.092 121.991 119.914 -0.025 0.000 2.261 255 V HA -0.175 3.945 4.120 0.000 0.000 0.246 255 V C 2.945 178.993 176.094 -0.076 0.000 1.047 255 V CA 1.719 63.994 62.300 -0.042 0.000 1.015 255 V CB -1.397 30.405 31.823 -0.036 0.000 0.642 255 V HN 0.509 nan 8.190 nan 0.000 0.446 256 A N 0.048 122.829 122.820 -0.065 0.000 1.927 256 A HA -0.345 3.975 4.320 0.000 0.000 0.220 256 A C 2.208 179.763 177.584 -0.049 0.000 1.185 256 A CA 2.530 54.534 52.037 -0.056 0.000 0.639 256 A CB -0.581 18.423 19.000 0.006 0.000 0.820 256 A HN 0.603 nan 8.150 nan 0.000 0.451 257 E N -0.180 120.000 120.200 -0.034 0.000 2.072 257 E HA 0.025 4.375 4.350 0.000 0.000 0.190 257 E C 2.060 178.638 176.600 -0.037 0.000 0.982 257 E CA 1.451 57.833 56.400 -0.030 0.000 0.803 257 E CB -0.480 29.208 29.700 -0.020 0.000 0.755 257 E HN 0.475 nan 8.360 nan 0.000 0.453 258 A N 0.510 123.307 122.820 -0.039 0.000 1.933 258 A HA -0.141 4.179 4.320 0.000 0.000 0.218 258 A C 2.268 179.821 177.584 -0.051 0.000 1.175 258 A CA 1.422 53.437 52.037 -0.038 0.000 0.628 258 A CB -0.736 18.246 19.000 -0.030 0.000 0.814 258 A HN 0.345 nan 8.150 nan 0.000 0.444 259 L N -1.350 119.829 121.223 -0.073 0.000 2.093 259 L HA -0.147 4.193 4.340 0.000 0.000 0.208 259 L C 2.759 179.581 176.870 -0.080 0.000 1.085 259 L CA 1.155 55.938 54.840 -0.094 0.000 0.755 259 L CB -0.451 41.522 42.059 -0.144 0.000 0.904 259 L HN 0.345 nan 8.230 nan 0.000 0.435 260 R N -0.134 120.324 120.500 -0.069 0.000 2.139 260 R HA -0.190 4.150 4.340 0.000 0.000 0.243 260 R C 2.315 178.584 176.300 -0.051 0.000 1.145 260 R CA 1.419 57.482 56.100 -0.061 0.000 0.976 260 R CB -0.336 29.933 30.300 -0.051 0.000 0.866 260 R HN 0.402 nan 8.270 nan 0.000 0.449 261 A N 0.628 123.421 122.820 -0.044 0.000 1.878 261 A HA -0.086 4.234 4.320 0.000 0.000 0.213 261 A C 1.830 179.392 177.584 -0.036 0.000 1.192 261 A CA 0.781 52.796 52.037 -0.036 0.000 0.619 261 A CB -0.146 18.837 19.000 -0.029 0.000 0.837 261 A HN 0.230 nan 8.150 nan 0.000 0.446 262 E N -0.928 119.247 120.200 -0.042 0.000 2.077 262 E HA -0.049 4.301 4.350 0.000 0.000 0.193 262 E C 0.218 176.792 176.600 -0.043 0.000 0.989 262 E CA 1.319 57.695 56.400 -0.040 0.000 0.800 262 E CB 0.073 29.745 29.700 -0.046 0.000 0.746 262 E HN 0.298 nan 8.360 nan 0.000 0.452 263 V N 2.099 121.979 119.914 -0.056 0.000 2.315 263 V HA 0.160 4.280 4.120 0.000 0.000 0.265 263 V C -2.255 173.804 176.094 -0.058 0.000 1.019 263 V CA -1.625 60.642 62.300 -0.055 0.000 0.824 263 V CB 1.412 33.195 31.823 -0.067 0.000 1.072 263 V HN -0.010 nan 8.190 nan 0.000 0.448 264 P HA -0.088 nan 4.420 nan 0.000 0.225 264 P C 0.903 178.170 177.300 -0.054 0.000 1.156 264 P CA 0.856 63.926 63.100 -0.050 0.000 0.787 264 P CB 0.440 32.117 31.700 -0.038 0.000 0.802 265 Q N -0.105 119.667 119.800 -0.047 0.000 2.437 265 Q HA 0.137 4.477 4.340 0.000 0.000 0.210 265 Q C 1.104 177.067 176.000 -0.063 0.000 0.972 265 Q CA 0.599 56.375 55.803 -0.045 0.000 0.903 265 Q CB -0.453 28.269 28.738 -0.027 0.000 0.967 265 Q HN 0.242 nan 8.270 nan 0.000 0.486 266 A N 0.863 123.635 122.820 -0.080 0.000 2.281 266 A HA 0.547 4.867 4.320 0.000 0.000 0.329 266 A C -0.649 176.846 177.584 -0.149 0.000 1.122 266 A CA -0.766 51.207 52.037 -0.107 0.000 0.850 266 A CB 0.836 19.775 19.000 -0.101 0.000 1.207 266 A HN 0.167 nan 8.150 nan 0.000 0.495 267 R N 1.241 121.616 120.500 -0.207 0.000 2.205 267 R HA 0.490 4.830 4.340 0.000 0.000 0.342 267 R C -1.588 174.553 176.300 -0.265 0.000 1.058 267 R CA -0.086 55.836 56.100 -0.298 0.000 0.904 267 R CB 0.102 30.101 30.300 -0.502 0.000 1.089 267 R HN 0.451 nan 8.270 nan 0.000 0.471 268 V N 4.291 124.089 119.914 -0.194 0.000 2.459 268 V HA 0.782 4.902 4.120 0.000 0.000 0.295 268 V C 0.720 176.764 176.094 -0.084 0.000 1.029 268 V CA -0.193 62.026 62.300 -0.135 0.000 0.874 268 V CB 1.370 33.127 31.823 -0.110 0.000 0.985 268 V HN 1.044 nan 8.190 nan 0.000 0.438 269 G N 2.836 111.621 108.800 -0.024 0.000 2.512 269 G HA2 0.309 4.269 3.960 0.000 0.000 0.186 269 G HA3 0.309 4.269 3.960 0.000 0.000 0.186 269 G C -2.078 172.947 174.900 0.208 0.000 1.189 269 G CA -0.339 44.807 45.100 0.077 0.000 0.994 269 G HN 0.678 nan 8.290 nan 0.000 0.506 270 W N 2.083 123.424 121.300 0.069 0.000 2.957 270 W HA 0.589 5.249 4.660 -0.000 0.000 0.336 270 W C -0.946 175.650 176.519 0.128 0.000 1.087 270 W CA 0.039 57.434 57.345 0.083 0.000 1.235 270 W CB 1.943 31.436 29.460 0.057 0.000 1.399 270 W HN 0.951 nan 8.180 nan 0.000 0.480 271 T N 2.667 116.523 114.554 -1.165 0.000 2.916 271 T HA 0.493 4.843 4.350 0.000 0.000 0.305 271 T C -2.967 171.151 174.700 -0.969 0.000 1.119 271 T CA -1.880 59.780 62.100 -0.733 0.000 1.008 271 T CB 2.110 70.831 68.868 -0.245 0.000 1.129 271 T HN 0.142 nan 8.240 nan 0.000 0.480 272 P HA 0.173 nan 4.420 nan 0.000 0.267 272 P C 0.829 177.996 177.300 -0.222 0.000 1.205 272 P CA -0.622 62.364 63.100 -0.189 0.000 0.765 272 P CB 0.537 32.181 31.700 -0.093 0.000 0.828 273 L N 4.201 125.335 121.223 -0.150 0.000 2.083 273 L HA -0.164 4.176 4.340 0.000 0.000 0.209 273 L C 1.662 178.486 176.870 -0.076 0.000 1.083 273 L CA 1.958 56.737 54.840 -0.102 0.000 0.752 273 L CB -0.989 41.056 42.059 -0.024 0.000 0.899 273 L HN 0.368 nan 8.230 nan 0.000 0.433 274 D N -1.259 119.090 120.400 -0.085 0.000 2.178 274 D HA -0.168 4.472 4.640 0.000 0.000 0.201 274 D C 2.013 178.264 176.300 -0.081 0.000 0.980 274 D CA 1.504 55.457 54.000 -0.078 0.000 0.842 274 D CB -0.665 40.071 40.800 -0.106 0.000 0.948 274 D HN 0.349 nan 8.370 nan 0.000 0.472 275 V N 0.962 120.814 119.914 -0.104 0.000 2.323 275 V HA -0.167 3.953 4.120 0.000 0.000 0.244 275 V C 2.785 178.821 176.094 -0.098 0.000 1.041 275 V CA 1.103 63.340 62.300 -0.106 0.000 1.025 275 V CB -0.150 31.590 31.823 -0.137 0.000 0.656 275 V HN 0.102 nan 8.190 nan 0.000 0.451 276 V N -0.013 119.833 119.914 -0.113 0.000 2.725 276 V HA -0.005 4.115 4.120 0.000 0.000 0.247 276 V C 2.632 178.714 176.094 -0.021 0.000 1.058 276 V CA 1.141 63.391 62.300 -0.082 0.000 1.080 276 V CB -0.777 30.996 31.823 -0.084 0.000 0.713 276 V HN 0.486 nan 8.190 nan 0.000 0.465 277 A N 1.194 124.002 122.820 -0.020 0.000 1.884 277 A HA -0.209 4.111 4.320 0.000 0.000 0.219 277 A C 0.481 178.078 177.584 0.022 0.000 1.197 277 A CA 2.487 54.531 52.037 0.012 0.000 0.637 277 A CB -2.052 16.957 19.000 0.015 0.000 0.827 277 A HN 0.519 nan 8.150 nan 0.000 0.450 278 P HA -0.104 nan 4.420 nan 0.000 0.223 278 P C 1.279 178.595 177.300 0.026 0.000 1.144 278 P CA 1.812 64.923 63.100 0.017 0.000 0.783 278 P CB -0.222 31.481 31.700 0.005 0.000 0.771 279 T N -6.004 108.567 114.554 0.028 0.000 3.086 279 T HA 0.118 4.468 4.350 0.000 0.000 0.250 279 T C 0.614 175.344 174.700 0.051 0.000 1.074 279 T CA -0.131 61.992 62.100 0.040 0.000 0.988 279 T CB -0.977 67.915 68.868 0.039 0.000 0.988 279 T HN -0.061 nan 8.240 nan 0.000 0.530 280 C N 2.169 121.500 119.300 0.050 0.000 2.364 280 C HA 0.476 4.936 4.460 0.000 0.000 0.356 280 C C 1.325 176.346 174.990 0.053 0.000 1.201 280 C CA -0.737 58.315 59.018 0.056 0.000 2.227 280 C CB 1.265 29.039 27.740 0.057 0.000 2.387 280 C HN 0.488 nan 8.230 nan 0.000 0.546 281 D N 0.434 120.865 120.400 0.052 0.000 2.354 281 D HA 0.161 4.801 4.640 0.000 0.000 0.209 281 D C -0.035 176.287 176.300 0.038 0.000 1.015 281 D CA 0.803 54.834 54.000 0.051 0.000 0.867 281 D CB 0.546 41.381 40.800 0.058 0.000 0.933 281 D HN 0.362 nan 8.370 nan 0.000 0.520 282 L N 0.889 122.130 121.223 0.030 0.000 2.549 282 L HA 0.253 4.593 4.340 0.000 0.000 0.259 282 L C -2.095 174.792 176.870 0.028 0.000 0.934 282 L CA -0.612 54.233 54.840 0.008 0.000 0.865 282 L CB 2.269 44.311 42.059 -0.028 0.000 1.352 282 L HN -0.274 nan 8.230 nan 0.000 0.410 283 L N 4.241 125.483 121.223 0.033 0.000 2.341 283 L HA 0.655 4.995 4.340 0.000 0.000 0.278 283 L C -0.478 176.402 176.870 0.015 0.000 1.005 283 L CA -0.541 54.352 54.840 0.088 0.000 0.818 283 L CB 1.993 44.162 42.059 0.183 0.000 1.259 283 L HN 0.224 nan 8.230 nan 0.000 0.418 284 V N 3.749 123.697 119.914 0.057 0.000 2.444 284 V HA 0.690 4.810 4.120 0.000 0.000 0.294 284 V C -0.725 175.403 176.094 0.056 0.000 1.022 284 V CA -0.560 61.711 62.300 -0.048 0.000 0.850 284 V CB 1.240 33.076 31.823 0.022 0.000 0.992 284 V HN 1.046 nan 8.190 nan 0.000 0.426 285 H N 0.839 119.861 119.070 -0.080 0.000 2.918 285 H HA 0.527 5.083 4.556 -0.000 0.000 0.303 285 H C -0.353 174.825 175.328 -0.250 0.000 1.380 285 H CA -0.858 55.133 56.048 -0.094 0.000 1.134 285 H CB 1.000 30.816 29.762 0.089 0.000 1.842 285 H HN 0.342 nan 8.280 nan 0.000 0.533 286 H N 0.603 119.840 119.070 0.278 0.000 2.517 286 H HA 0.423 4.979 4.556 -0.000 0.000 0.282 286 H C 0.656 176.050 175.328 0.111 0.000 1.023 286 H CA 0.758 56.889 56.048 0.137 0.000 1.169 286 H CB 0.215 30.079 29.762 0.171 0.000 1.454 286 H HN 0.865 nan 8.280 nan 0.000 0.556 287 A N 0.393 123.421 122.820 0.347 0.000 2.969 287 A HA -0.128 4.192 4.320 0.000 0.000 0.252 287 A C 1.207 178.709 177.584 -0.136 0.000 1.377 287 A CA 0.756 52.888 52.037 0.158 0.000 0.859 287 A CB -1.880 17.143 19.000 0.038 0.000 1.077 287 A HN 0.575 nan 8.150 nan 0.000 0.671 288 G N -2.480 106.034 108.800 -0.478 0.000 2.613 288 G HA2 0.718 4.678 3.960 0.000 0.000 0.303 288 G HA3 0.718 4.678 3.960 0.000 0.000 0.303 288 G C 1.365 175.870 174.900 -0.659 0.000 1.312 288 G CA 0.756 45.056 45.100 -1.333 0.000 1.036 288 G HN 2.097 nan 8.290 nan 0.000 0.513 289 G N -1.113 107.417 108.800 -0.450 0.000 2.660 289 G HA2 -0.202 3.758 3.960 0.000 0.000 0.338 289 G HA3 -0.202 3.758 3.960 0.000 0.000 0.338 289 G C 1.240 176.098 174.900 -0.070 0.000 1.336 289 G CA 2.750 47.812 45.100 -0.063 0.000 0.990 289 G HN 1.958 nan 8.290 nan 0.000 0.537 290 V N -2.358 117.563 119.914 0.012 0.000 3.444 290 V HA 0.445 4.565 4.120 0.000 0.000 0.308 290 V C 2.116 178.174 176.094 -0.062 0.000 1.371 290 V CA 1.420 63.705 62.300 -0.025 0.000 1.141 290 V CB 0.220 32.113 31.823 0.116 0.000 1.037 290 V HN 0.612 nan 8.190 nan 0.000 0.433 291 S N 1.794 117.428 115.700 -0.110 0.000 2.356 291 S HA -0.183 4.287 4.470 0.000 0.000 0.223 291 S C 2.004 176.495 174.600 -0.182 0.000 1.032 291 S CA 2.324 60.363 58.200 -0.268 0.000 1.005 291 S CB -0.501 62.273 63.200 -0.712 0.000 0.867 291 S HN 0.766 nan 8.310 nan 0.000 0.449 292 T N 3.054 117.582 114.554 -0.042 0.000 2.708 292 T HA 0.021 4.371 4.350 0.000 0.000 0.266 292 T C 1.775 176.481 174.700 0.009 0.000 1.037 292 T CA 1.032 63.189 62.100 0.096 0.000 1.146 292 T CB -0.481 68.443 68.868 0.093 0.000 0.865 292 T HN 0.238 nan 8.240 nan 0.000 0.435 293 L N 0.664 121.825 121.223 -0.103 0.000 2.141 293 L HA -0.089 4.251 4.340 0.000 0.000 0.209 293 L C 2.897 179.781 176.870 0.024 0.000 1.094 293 L CA 1.035 55.778 54.840 -0.162 0.000 0.763 293 L CB -1.032 40.715 42.059 -0.519 0.000 0.908 293 L HN 0.299 nan 8.230 nan 0.000 0.437 294 T N -0.226 114.382 114.554 0.090 0.000 2.708 294 T HA -0.125 4.225 4.350 0.000 0.000 0.266 294 T C 1.868 176.639 174.700 0.118 0.000 1.037 294 T CA 1.424 63.657 62.100 0.222 0.000 1.146 294 T CB -0.489 68.485 68.868 0.177 0.000 0.865 294 T HN 0.553 nan 8.240 nan 0.000 0.435 295 G N 1.306 110.161 108.800 0.092 0.000 2.440 295 G HA2 -0.151 3.809 3.960 0.000 0.000 0.218 295 G HA3 -0.151 3.809 3.960 0.000 0.000 0.218 295 G C 1.503 176.453 174.900 0.082 0.000 1.154 295 G CA 0.556 45.716 45.100 0.100 0.000 0.767 295 G HN 0.440 nan 8.290 nan 0.000 0.552 296 L N 1.447 122.712 121.223 0.069 0.000 2.093 296 L HA -0.094 4.246 4.340 0.000 0.000 0.208 296 L C 3.316 180.219 176.870 0.054 0.000 1.085 296 L CA 1.443 56.310 54.840 0.045 0.000 0.755 296 L CB -0.430 41.632 42.059 0.005 0.000 0.904 296 L HN 0.444 nan 8.230 nan 0.000 0.435 297 S N 0.149 115.900 115.700 0.086 0.000 2.419 297 S HA -0.137 4.333 4.470 0.000 0.000 0.233 297 S C 1.916 176.545 174.600 0.048 0.000 1.016 297 S CA 0.855 59.101 58.200 0.076 0.000 0.974 297 S CB -0.337 62.928 63.200 0.109 0.000 0.786 297 S HN 0.342 nan 8.310 nan 0.000 0.492 298 A N 0.675 123.526 122.820 0.052 0.000 2.251 298 A HA 0.562 4.882 4.320 0.000 0.000 0.209 298 A C 1.718 179.329 177.584 0.044 0.000 1.187 298 A CA 0.487 52.548 52.037 0.040 0.000 0.823 298 A CB -1.217 17.806 19.000 0.039 0.000 0.846 298 A HN 1.553 nan 8.150 nan 0.000 0.486 299 G N -0.996 107.834 108.800 0.050 0.000 2.198 299 G HA2 -0.188 3.772 3.960 0.000 0.000 0.260 299 G HA3 -0.188 3.772 3.960 0.000 0.000 0.260 299 G C 0.048 174.987 174.900 0.065 0.000 1.025 299 G CA 0.352 45.486 45.100 0.056 0.000 0.769 299 G HN 0.831 nan 8.290 nan 0.000 0.507 300 V N 0.993 120.947 119.914 0.067 0.000 2.427 300 V HA 0.463 4.583 4.120 0.000 0.000 0.286 300 V C -1.528 174.610 176.094 0.073 0.000 1.034 300 V CA -1.882 60.459 62.300 0.068 0.000 0.893 300 V CB 1.788 33.649 31.823 0.064 0.000 0.982 300 V HN 0.096 nan 8.190 nan 0.000 0.452 301 P HA 0.153 nan 4.420 nan 0.000 0.267 301 P C -0.776 176.528 177.300 0.007 0.000 1.200 301 P CA 0.133 63.270 63.100 0.062 0.000 0.772 301 P CB 0.361 32.095 31.700 0.057 0.000 0.855 302 Q N 0.886 120.668 119.800 -0.030 0.000 2.397 302 Q HA 0.591 4.931 4.340 0.000 0.000 0.275 302 Q C -1.321 174.574 176.000 -0.175 0.000 1.090 302 Q CA -1.076 54.672 55.803 -0.090 0.000 0.809 302 Q CB 2.218 30.918 28.738 -0.063 0.000 1.362 302 Q HN 0.225 nan 8.270 nan 0.000 0.431 303 L N 2.831 123.914 121.223 -0.235 0.000 2.265 303 L HA 0.464 4.804 4.340 0.000 0.000 0.289 303 L C -1.681 174.971 176.870 -0.363 0.000 1.033 303 L CA -0.177 54.501 54.840 -0.271 0.000 0.814 303 L CB 0.793 42.695 42.059 -0.262 0.000 1.203 303 L HN 0.533 nan 8.230 nan 0.000 0.423 304 L N 6.872 127.915 121.223 -0.300 0.000 2.287 304 L HA 0.492 4.832 4.340 0.000 0.000 0.287 304 L C -0.363 176.374 176.870 -0.222 0.000 1.022 304 L CA -0.317 54.342 54.840 -0.302 0.000 0.814 304 L CB 1.387 43.338 42.059 -0.180 0.000 1.217 304 L HN 0.553 nan 8.230 nan 0.000 0.420 305 I N 5.105 125.543 120.570 -0.220 0.000 2.778 305 I HA 0.231 4.401 4.170 0.000 0.000 0.285 305 I C -2.168 173.967 176.117 0.029 0.000 1.236 305 I CA -1.657 59.562 61.300 -0.135 0.000 1.089 305 I CB 0.837 38.682 38.000 -0.259 0.000 1.601 305 I HN 0.327 nan 8.210 nan 0.000 0.573 306 P HA 0.103 nan 4.420 nan 0.000 0.271 306 P C -0.740 176.606 177.300 0.076 0.000 1.226 306 P CA -0.142 62.992 63.100 0.056 0.000 0.765 306 P CB 0.784 32.498 31.700 0.022 0.000 0.835 307 K N 2.414 122.878 120.400 0.108 0.000 2.507 307 K HA 0.635 4.955 4.320 0.000 0.000 0.253 307 K C -0.393 176.271 176.600 0.108 0.000 0.969 307 K CA -0.400 55.936 56.287 0.081 0.000 0.908 307 K CB 1.257 33.775 32.500 0.029 0.000 1.127 307 K HN 0.807 nan 8.250 nan 0.000 0.437 308 G N 0.944 109.799 108.800 0.092 0.000 3.088 308 G HA2 -0.167 3.793 3.960 0.000 0.000 0.620 308 G HA3 -0.167 3.793 3.960 0.000 0.000 0.620 308 G C 0.291 175.252 174.900 0.101 0.000 1.375 308 G CA -0.325 44.849 45.100 0.122 0.000 1.016 308 G HN 0.392 nan 8.290 nan 0.000 0.590 309 S N 0.389 116.149 115.700 0.100 0.000 2.365 309 S HA -0.196 4.274 4.470 0.000 0.000 0.225 309 S C 2.891 177.538 174.600 0.079 0.000 1.039 309 S CA 3.528 61.777 58.200 0.081 0.000 1.033 309 S CB -0.318 62.932 63.200 0.084 0.000 0.887 309 S HN 1.979 nan 8.310 nan 0.000 0.447 310 V N 0.090 120.065 119.914 0.102 0.000 2.913 310 V HA 0.059 4.179 4.120 0.000 0.000 0.260 310 V C 1.915 178.047 176.094 0.063 0.000 1.098 310 V CA 1.560 63.910 62.300 0.084 0.000 1.121 310 V CB -0.926 30.959 31.823 0.102 0.000 0.714 310 V HN 0.532 nan 8.190 nan 0.000 0.487 311 L N -0.360 120.900 121.223 0.062 0.000 2.446 311 L HA 0.115 4.455 4.340 0.000 0.000 0.219 311 L C 2.648 179.532 176.870 0.024 0.000 1.116 311 L CA 0.745 55.603 54.840 0.031 0.000 0.844 311 L CB -0.412 41.656 42.059 0.016 0.000 0.970 311 L HN 0.356 nan 8.230 nan 0.000 0.457 312 E N 0.975 121.194 120.200 0.033 0.000 2.015 312 E HA -0.189 4.161 4.350 0.000 0.000 0.191 312 E C 2.373 178.985 176.600 0.020 0.000 0.991 312 E CA 1.238 57.652 56.400 0.024 0.000 0.802 312 E CB -0.150 29.566 29.700 0.027 0.000 0.759 312 E HN 0.452 nan 8.360 nan 0.000 0.447 313 A N 1.856 124.691 122.820 0.025 0.000 1.883 313 A HA -0.130 4.190 4.320 0.000 0.000 0.217 313 A C -0.277 177.320 177.584 0.022 0.000 1.186 313 A CA 1.437 53.489 52.037 0.024 0.000 0.624 313 A CB -1.522 17.493 19.000 0.026 0.000 0.822 313 A HN 0.147 nan 8.150 nan 0.000 0.444 314 P HA -0.106 nan 4.420 nan 0.000 0.216 314 P C 1.715 179.022 177.300 0.012 0.000 1.150 314 P CA 1.882 64.990 63.100 0.014 0.000 0.837 314 P CB -0.124 31.583 31.700 0.011 0.000 0.786 315 A N -0.269 122.556 122.820 0.009 0.000 1.902 315 A HA -0.205 4.115 4.320 0.000 0.000 0.217 315 A C 2.410 180.000 177.584 0.010 0.000 1.181 315 A CA 1.815 53.854 52.037 0.003 0.000 0.623 315 A CB -1.103 17.892 19.000 -0.009 0.000 0.818 315 A HN -0.014 nan 8.150 nan 0.000 0.443 316 R N -0.054 120.455 120.500 0.015 0.000 2.120 316 R HA -0.021 4.319 4.340 0.000 0.000 0.234 316 R C 2.223 178.549 176.300 0.043 0.000 1.123 316 R CA 1.551 57.666 56.100 0.025 0.000 0.975 316 R CB -0.446 29.868 30.300 0.022 0.000 0.866 316 R HN 0.562 nan 8.270 nan 0.000 0.446 317 R N -0.764 119.761 120.500 0.042 0.000 2.091 317 R HA -0.098 4.242 4.340 0.000 0.000 0.238 317 R C 2.087 178.439 176.300 0.086 0.000 1.136 317 R CA 1.693 57.828 56.100 0.059 0.000 0.959 317 R CB -0.370 29.954 30.300 0.040 0.000 0.856 317 R HN 0.098 nan 8.270 nan 0.000 0.437 318 V N 0.665 120.615 119.914 0.059 0.000 2.358 318 V HA -0.208 3.912 4.120 0.000 0.000 0.246 318 V C 2.409 178.586 176.094 0.138 0.000 1.047 318 V CA 1.901 64.244 62.300 0.073 0.000 1.035 318 V CB -0.670 31.169 31.823 0.027 0.000 0.658 318 V HN 0.397 nan 8.190 nan 0.000 0.452 319 A N -0.077 122.803 122.820 0.099 0.000 1.902 319 A HA -0.239 4.081 4.320 0.000 0.000 0.217 319 A C 1.987 179.646 177.584 0.125 0.000 1.181 319 A CA 1.974 54.079 52.037 0.114 0.000 0.623 319 A CB -0.625 18.414 19.000 0.066 0.000 0.818 319 A HN 0.511 nan 8.150 nan 0.000 0.443 320 D N -1.729 118.735 120.400 0.106 0.000 2.144 320 D HA -0.155 4.485 4.640 0.000 0.000 0.199 320 D C 1.607 177.964 176.300 0.095 0.000 0.984 320 D CA 1.313 55.364 54.000 0.084 0.000 0.834 320 D CB -0.419 40.426 40.800 0.074 0.000 0.955 320 D HN 0.614 nan 8.370 nan 0.000 0.465 321 Y N 0.252 120.565 120.300 0.022 0.000 2.224 321 Y HA -0.105 4.445 4.550 -0.000 0.000 0.289 321 Y C 1.668 177.576 175.900 0.013 0.000 1.146 321 Y CA 2.066 60.177 58.100 0.017 0.000 1.182 321 Y CB 0.140 38.613 38.460 0.022 0.000 0.983 321 Y HN 0.114 nan 8.280 nan 0.000 0.524 322 G N -1.893 106.998 108.800 0.153 0.000 2.192 322 G HA2 -0.188 3.772 3.960 0.000 0.000 0.193 322 G HA3 -0.188 3.772 3.960 0.000 0.000 0.193 322 G C 0.848 175.866 174.900 0.197 0.000 0.999 322 G CA 0.077 45.214 45.100 0.062 0.000 0.659 322 G HN 0.805 nan 8.290 nan 0.000 0.503 323 A N -0.642 122.366 122.820 0.313 0.000 2.308 323 A HA 0.882 5.202 4.320 0.000 0.000 0.217 323 A C 1.124 178.855 177.584 0.246 0.000 1.216 323 A CA 1.525 53.736 52.037 0.290 0.000 0.864 323 A CB -0.005 19.147 19.000 0.253 0.000 0.902 323 A HN 2.139 nan 8.150 nan 0.000 0.499 324 A N -0.896 122.067 122.820 0.238 0.000 2.602 324 A HA 0.737 5.057 4.320 0.000 0.000 0.290 324 A C -1.249 176.360 177.584 0.041 0.000 1.114 324 A CA -0.468 51.614 52.037 0.074 0.000 0.683 324 A CB 0.674 19.686 19.000 0.020 0.000 1.281 324 A HN 0.173 nan 8.150 nan 0.000 0.416 325 I N 0.574 121.077 120.570 -0.113 0.000 2.474 325 I HA 0.610 4.780 4.170 0.000 0.000 0.294 325 I C 0.302 176.359 176.117 -0.099 0.000 1.005 325 I CA -0.525 60.718 61.300 -0.095 0.000 1.113 325 I CB 2.032 39.920 38.000 -0.185 0.000 1.289 325 I HN 0.783 nan 8.210 nan 0.000 0.436 326 A N 7.611 130.395 122.820 -0.061 0.000 2.318 326 A HA 0.772 5.092 4.320 0.000 0.000 0.317 326 A C -0.908 176.635 177.584 -0.068 0.000 1.159 326 A CA -0.477 51.517 52.037 -0.071 0.000 0.799 326 A CB 0.739 19.718 19.000 -0.036 0.000 1.194 326 A HN 0.675 nan 8.150 nan 0.000 0.479 327 L N 3.742 124.908 121.223 -0.093 0.000 2.277 327 L HA 0.366 4.706 4.340 0.000 0.000 0.284 327 L C -0.815 176.019 176.870 -0.061 0.000 1.028 327 L CA -0.600 54.191 54.840 -0.083 0.000 0.835 327 L CB 0.855 42.843 42.059 -0.119 0.000 1.215 327 L HN 0.547 nan 8.230 nan 0.000 0.425 328 L N 5.066 126.268 121.223 -0.035 0.000 2.454 328 L HA 0.511 4.851 4.340 0.000 0.000 0.256 328 L C -1.969 174.892 176.870 -0.014 0.000 1.136 328 L CA -1.721 53.108 54.840 -0.017 0.000 0.804 328 L CB 0.007 42.062 42.059 -0.006 0.000 1.181 328 L HN 0.280 nan 8.230 nan 0.000 0.469 329 P HA 0.122 nan 4.420 nan 0.000 0.261 329 P C 0.630 177.927 177.300 -0.005 0.000 1.173 329 P CA 1.237 64.336 63.100 -0.002 0.000 0.760 329 P CB 0.370 32.073 31.700 0.005 0.000 0.783 330 G N 2.882 111.678 108.800 -0.006 0.000 2.225 330 G HA2 -0.291 3.669 3.960 0.000 0.000 0.254 330 G HA3 -0.291 3.669 3.960 0.000 0.000 0.254 330 G C 0.822 175.715 174.900 -0.011 0.000 0.988 330 G CA 0.065 45.161 45.100 -0.006 0.000 0.625 330 G HN 0.570 nan 8.290 nan 0.000 0.527 331 E N 0.705 120.894 120.200 -0.018 0.000 2.472 331 E HA 0.090 4.440 4.350 0.000 0.000 0.196 331 E C 0.340 176.916 176.600 -0.040 0.000 1.033 331 E CA 0.452 56.837 56.400 -0.026 0.000 0.886 331 E CB 0.179 29.862 29.700 -0.029 0.000 0.944 331 E HN 0.656 nan 8.360 nan 0.000 0.492 332 D N 1.628 122.001 120.400 -0.044 0.000 3.110 332 D HA -0.015 4.625 4.640 0.000 0.000 0.254 332 D C 0.080 176.352 176.300 -0.047 0.000 1.283 332 D CA -0.224 53.735 54.000 -0.069 0.000 0.944 332 D CB -0.079 40.670 40.800 -0.086 0.000 1.066 332 D HN -0.119 nan 8.370 nan 0.000 0.496 333 S N -0.840 114.840 115.700 -0.033 0.000 2.603 333 S HA 0.124 4.594 4.470 0.000 0.000 0.268 333 S C 1.420 176.014 174.600 -0.010 0.000 1.317 333 S CA -0.322 57.871 58.200 -0.012 0.000 1.012 333 S CB 1.320 64.516 63.200 -0.008 0.000 0.926 333 S HN 0.176 nan 8.310 nan 0.000 0.539 334 T N 2.359 116.923 114.554 0.016 0.000 2.594 334 T HA -0.221 4.129 4.350 0.000 0.000 0.266 334 T C 1.500 176.204 174.700 0.006 0.000 1.070 334 T CA 2.485 64.602 62.100 0.029 0.000 1.166 334 T CB -0.846 68.044 68.868 0.037 0.000 0.862 334 T HN 0.817 nan 8.240 nan 0.000 0.436 335 E N 1.267 121.467 120.200 0.001 0.000 2.077 335 E HA 0.068 4.418 4.350 0.000 0.000 0.193 335 E C 2.465 179.049 176.600 -0.027 0.000 0.989 335 E CA 1.087 57.482 56.400 -0.007 0.000 0.800 335 E CB -0.676 29.024 29.700 0.000 0.000 0.746 335 E HN 0.535 nan 8.360 nan 0.000 0.452 336 A N 0.732 123.532 122.820 -0.033 0.000 1.908 336 A HA -0.199 4.121 4.320 0.000 0.000 0.218 336 A C 2.283 179.816 177.584 -0.085 0.000 1.181 336 A CA 1.452 53.457 52.037 -0.053 0.000 0.627 336 A CB -0.762 18.207 19.000 -0.052 0.000 0.818 336 A HN 0.207 nan 8.150 nan 0.000 0.445 337 I N -0.349 120.165 120.570 -0.094 0.000 2.179 337 I HA -0.285 3.885 4.170 0.000 0.000 0.242 337 I C 3.004 179.048 176.117 -0.121 0.000 1.088 337 I CA 1.106 62.326 61.300 -0.134 0.000 1.357 337 I CB -0.358 37.558 38.000 -0.140 0.000 1.051 337 I HN 0.363 nan 8.210 nan 0.000 0.409 338 A N 0.567 123.337 122.820 -0.084 0.000 1.865 338 A HA -0.265 4.055 4.320 0.000 0.000 0.217 338 A C 1.976 179.472 177.584 -0.147 0.000 1.191 338 A CA 2.280 54.252 52.037 -0.108 0.000 0.623 338 A CB -0.754 18.210 19.000 -0.061 0.000 0.826 338 A HN 0.355 nan 8.150 nan 0.000 0.444 339 D N -0.134 120.207 120.400 -0.098 0.000 2.149 339 D HA -0.081 4.559 4.640 0.000 0.000 0.198 339 D C 2.312 178.537 176.300 -0.125 0.000 0.990 339 D CA 1.550 55.499 54.000 -0.085 0.000 0.839 339 D CB -0.348 40.426 40.800 -0.043 0.000 0.948 339 D HN 0.403 nan 8.370 nan 0.000 0.460 340 S N -0.213 115.400 115.700 -0.146 0.000 2.355 340 S HA -0.136 4.334 4.470 0.000 0.000 0.222 340 S C 2.334 176.786 174.600 -0.246 0.000 1.031 340 S CA 0.810 58.897 58.200 -0.188 0.000 0.993 340 S CB -0.447 62.640 63.200 -0.188 0.000 0.859 340 S HN 0.383 nan 8.310 nan 0.000 0.453 341 C N 1.666 120.816 119.300 -0.250 0.000 2.413 341 C HA -0.137 4.323 4.460 0.000 0.000 0.276 341 C C 2.867 177.623 174.990 -0.391 0.000 1.248 341 C CA 1.011 59.853 59.018 -0.293 0.000 1.742 341 C CB -1.401 26.174 27.740 -0.276 0.000 2.017 341 C HN 0.670 nan 8.230 nan 0.000 0.481 342 Q N 0.975 120.503 119.800 -0.452 0.000 2.077 342 Q HA -0.294 4.046 4.340 0.000 0.000 0.206 342 Q C 2.158 178.037 176.000 -0.203 0.000 0.989 342 Q CA 2.297 57.769 55.803 -0.551 0.000 0.853 342 Q CB -0.239 28.318 28.738 -0.301 0.000 0.907 342 Q HN 0.823 nan 8.270 nan 0.000 0.418 343 E N -0.140 119.981 120.200 -0.131 0.000 2.107 343 E HA -0.147 4.203 4.350 0.000 0.000 0.191 343 E C 2.095 178.650 176.600 -0.076 0.000 0.982 343 E CA 0.726 57.109 56.400 -0.027 0.000 0.809 343 E CB -0.122 29.572 29.700 -0.010 0.000 0.756 343 E HN 0.454 nan 8.360 nan 0.000 0.459 344 L N 0.511 121.554 121.223 -0.301 0.000 2.131 344 L HA -0.187 4.153 4.340 0.000 0.000 0.210 344 L C 2.641 179.471 176.870 -0.067 0.000 1.092 344 L CA 1.152 55.793 54.840 -0.332 0.000 0.759 344 L CB -0.210 41.632 42.059 -0.360 0.000 0.903 344 L HN 0.210 nan 8.230 nan 0.000 0.435 345 Q N -0.766 118.995 119.800 -0.065 0.000 2.187 345 Q HA -0.018 4.322 4.340 0.000 0.000 0.199 345 Q C 1.875 177.973 176.000 0.165 0.000 0.957 345 Q CA 1.516 57.339 55.803 0.033 0.000 0.857 345 Q CB 0.117 28.817 28.738 -0.064 0.000 0.929 345 Q HN 0.461 nan 8.270 nan 0.000 0.453 346 A N -1.160 121.772 122.820 0.186 0.000 2.358 346 A HA 0.217 4.537 4.320 0.000 0.000 0.223 346 A C -0.119 177.577 177.584 0.186 0.000 1.218 346 A CA -0.177 52.005 52.037 0.243 0.000 0.942 346 A CB 0.528 19.741 19.000 0.356 0.000 1.005 346 A HN -0.014 nan 8.150 nan 0.000 0.514 347 K N 1.427 121.953 120.400 0.210 0.000 2.339 347 K HA 0.248 4.568 4.320 0.000 0.000 0.264 347 K C -0.896 175.823 176.600 0.198 0.000 0.986 347 K CA -0.111 56.297 56.287 0.201 0.000 0.866 347 K CB 1.620 34.274 32.500 0.257 0.000 1.103 347 K HN 0.322 nan 8.250 nan 0.000 0.441 348 D N 0.924 121.387 120.400 0.105 0.000 2.363 348 D HA -0.138 4.502 4.640 0.000 0.000 0.220 348 D C 1.374 177.695 176.300 0.034 0.000 0.994 348 D CA 0.663 54.715 54.000 0.085 0.000 0.890 348 D CB 0.249 41.084 40.800 0.059 0.000 0.906 348 D HN 0.409 nan 8.370 nan 0.000 0.530 349 T N -1.092 113.429 114.554 -0.055 0.000 2.759 349 T HA -0.248 4.102 4.350 0.000 0.000 0.269 349 T C 1.401 175.987 174.700 -0.191 0.000 1.042 349 T CA 1.397 63.389 62.100 -0.181 0.000 1.140 349 T CB -0.508 68.159 68.868 -0.334 0.000 0.864 349 T HN 0.319 nan 8.240 nan 0.000 0.455 350 Y N 1.243 121.559 120.300 0.027 0.000 2.145 350 Y HA 0.091 4.641 4.550 0.000 0.000 0.286 350 Y C 2.885 178.813 175.900 0.048 0.000 1.145 350 Y CA 0.939 59.061 58.100 0.036 0.000 1.148 350 Y CB -0.811 37.664 38.460 0.025 0.000 0.981 350 Y HN 0.290 nan 8.280 nan 0.000 0.507 351 A N 0.422 123.358 122.820 0.192 0.000 1.877 351 A HA -0.224 4.096 4.320 0.000 0.000 0.216 351 A C 2.285 179.926 177.584 0.095 0.000 1.186 351 A CA 1.725 53.839 52.037 0.128 0.000 0.620 351 A CB -0.790 18.273 19.000 0.105 0.000 0.822 351 A HN 0.412 nan 8.150 nan 0.000 0.443 352 R N -0.533 120.007 120.500 0.066 0.000 2.112 352 R HA -0.196 4.144 4.340 0.000 0.000 0.242 352 R C 2.352 178.695 176.300 0.072 0.000 1.137 352 R CA 1.897 58.025 56.100 0.047 0.000 0.944 352 R CB -0.253 30.052 30.300 0.008 0.000 0.857 352 R HN 0.456 nan 8.270 nan 0.000 0.435 353 R N -0.358 120.192 120.500 0.084 0.000 2.090 353 R HA -0.016 4.324 4.340 0.000 0.000 0.228 353 R C 2.256 178.707 176.300 0.252 0.000 1.110 353 R CA 1.045 57.250 56.100 0.174 0.000 0.973 353 R CB -0.453 29.926 30.300 0.131 0.000 0.869 353 R HN 0.291 nan 8.270 nan 0.000 0.440 354 A N 1.621 124.548 122.820 0.178 0.000 1.883 354 A HA -0.235 4.085 4.320 0.000 0.000 0.217 354 A C 2.167 179.811 177.584 0.100 0.000 1.186 354 A CA 1.390 53.506 52.037 0.132 0.000 0.624 354 A CB -0.435 18.636 19.000 0.118 0.000 0.822 354 A HN 0.334 nan 8.150 nan 0.000 0.444 355 Q N -0.523 119.333 119.800 0.095 0.000 2.084 355 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 355 Q C 1.654 177.702 176.000 0.079 0.000 0.978 355 Q CA 1.471 57.318 55.803 0.074 0.000 0.844 355 Q CB -0.231 28.544 28.738 0.062 0.000 0.898 355 Q HN 0.588 nan 8.270 nan 0.000 0.426 356 D N 0.312 120.779 120.400 0.111 0.000 2.116 356 D HA -0.169 4.471 4.640 0.000 0.000 0.193 356 D C 1.714 178.084 176.300 0.115 0.000 0.998 356 D CA 0.981 55.062 54.000 0.136 0.000 0.836 356 D CB -0.106 40.824 40.800 0.218 0.000 0.951 356 D HN 0.097 nan 8.370 nan 0.000 0.449 357 L N 0.580 121.857 121.223 0.090 0.000 2.093 357 L HA -0.082 4.258 4.340 0.000 0.000 0.208 357 L C 2.461 179.323 176.870 -0.013 0.000 1.085 357 L CA 1.170 55.981 54.840 -0.049 0.000 0.755 357 L CB -1.242 40.705 42.059 -0.187 0.000 0.904 357 L HN -0.044 nan 8.230 nan 0.000 0.435 358 S N -0.639 115.073 115.700 0.021 0.000 2.359 358 S HA -0.227 4.243 4.470 0.000 0.000 0.224 358 S C 2.208 176.823 174.600 0.024 0.000 1.035 358 S CA 1.246 59.461 58.200 0.026 0.000 1.018 358 S CB -0.080 63.142 63.200 0.036 0.000 0.876 358 S HN 0.410 nan 8.310 nan 0.000 0.448 359 R N 0.448 120.966 120.500 0.030 0.000 2.120 359 R HA -0.079 4.261 4.340 0.000 0.000 0.234 359 R C 2.527 178.840 176.300 0.022 0.000 1.123 359 R CA 1.596 57.712 56.100 0.028 0.000 0.975 359 R CB -0.308 30.013 30.300 0.035 0.000 0.866 359 R HN 0.660 nan 8.270 nan 0.000 0.446 360 E N 0.946 121.158 120.200 0.020 0.000 2.072 360 E HA -0.158 4.192 4.350 0.000 0.000 0.191 360 E C 1.901 178.503 176.600 0.003 0.000 0.985 360 E CA 0.905 57.311 56.400 0.011 0.000 0.801 360 E CB 0.019 29.718 29.700 -0.001 0.000 0.750 360 E HN 0.274 nan 8.360 nan 0.000 0.452 361 I N 1.199 121.770 120.570 0.003 0.000 2.226 361 I HA -0.252 3.918 4.170 0.000 0.000 0.245 361 I C 2.653 178.778 176.117 0.013 0.000 1.100 361 I CA 1.364 62.671 61.300 0.013 0.000 1.374 361 I CB -0.324 37.694 38.000 0.029 0.000 1.057 361 I HN 0.197 nan 8.210 nan 0.000 0.413 362 S N 0.650 116.357 115.700 0.011 0.000 2.474 362 S HA -0.047 4.423 4.470 0.000 0.000 0.235 362 S C 1.927 176.530 174.600 0.006 0.000 0.997 362 S CA 0.891 59.095 58.200 0.007 0.000 0.949 362 S CB -0.599 62.605 63.200 0.007 0.000 0.766 362 S HN 0.479 nan 8.310 nan 0.000 0.517 363 G N 0.672 109.477 108.800 0.007 0.000 2.813 363 G HA2 0.287 4.247 3.960 0.000 0.000 0.209 363 G HA3 0.287 4.247 3.960 0.000 0.000 0.209 363 G C 0.440 175.342 174.900 0.003 0.000 1.150 363 G CA -0.362 44.742 45.100 0.006 0.000 0.785 363 G HN 0.474 nan 8.290 nan 0.000 0.535 364 M N 0.824 120.426 119.600 0.002 0.000 2.241 364 M HA 0.259 4.739 4.480 0.000 0.000 0.335 364 M C -2.250 174.049 176.300 -0.002 0.000 1.122 364 M CA -1.622 53.677 55.300 -0.001 0.000 1.164 364 M CB 0.874 33.473 32.600 -0.001 0.000 1.459 364 M HN -0.214 nan 8.290 nan 0.000 0.461 365 P HA 0.090 nan 4.420 nan 0.000 0.268 365 P C -0.921 176.378 177.300 -0.001 0.000 1.205 365 P CA 0.056 63.155 63.100 -0.003 0.000 0.771 365 P CB 0.305 32.002 31.700 -0.006 0.000 0.858 366 L N 5.970 127.194 121.223 0.000 0.000 2.426 366 L HA 0.083 4.423 4.340 0.000 0.000 0.271 366 L C -1.077 175.797 176.870 0.007 0.000 1.169 366 L CA -1.458 53.383 54.840 0.000 0.000 0.836 366 L CB 0.279 42.338 42.059 -0.000 0.000 1.112 366 L HN 0.330 nan 8.230 nan 0.000 0.465 367 P HA -0.268 nan 4.420 nan 0.000 0.218 367 P C 1.303 178.623 177.300 0.033 0.000 1.154 367 P CA 1.818 64.932 63.100 0.023 0.000 0.872 367 P CB 0.198 31.909 31.700 0.017 0.000 0.790 368 A N -0.684 122.152 122.820 0.026 0.000 1.978 368 A HA -0.225 4.095 4.320 0.000 0.000 0.220 368 A C 2.257 179.863 177.584 0.037 0.000 1.170 368 A CA 2.540 54.598 52.037 0.035 0.000 0.636 368 A CB -1.937 17.078 19.000 0.024 0.000 0.810 368 A HN 0.381 nan 8.150 nan 0.000 0.448 369 T N -3.339 111.230 114.554 0.025 0.000 2.985 369 T HA -0.008 4.342 4.350 0.000 0.000 0.266 369 T C 1.538 176.251 174.700 0.022 0.000 1.076 369 T CA 1.302 63.414 62.100 0.021 0.000 1.135 369 T CB -0.397 68.478 68.868 0.012 0.000 0.890 369 T HN 0.079 nan 8.240 nan 0.000 0.480 370 V N 1.424 121.352 119.914 0.025 0.000 2.871 370 V HA -0.024 4.096 4.120 0.000 0.000 0.256 370 V C 2.831 178.946 176.094 0.036 0.000 1.082 370 V CA 0.721 63.034 62.300 0.023 0.000 1.105 370 V CB -0.436 31.399 31.823 0.020 0.000 0.713 370 V HN 0.392 nan 8.190 nan 0.000 0.473 371 V N 0.391 120.340 119.914 0.058 0.000 2.392 371 V HA -0.279 3.841 4.120 0.000 0.000 0.249 371 V C 2.557 178.681 176.094 0.051 0.000 1.059 371 V CA 2.595 64.940 62.300 0.076 0.000 1.051 371 V CB -1.176 30.723 31.823 0.126 0.000 0.658 371 V HN 0.630 nan 8.190 nan 0.000 0.455 372 T N 0.606 115.186 114.554 0.044 0.000 2.746 372 T HA -0.183 4.167 4.350 0.000 0.000 0.267 372 T C 2.107 176.806 174.700 -0.002 0.000 1.039 372 T CA 1.631 63.748 62.100 0.027 0.000 1.142 372 T CB -0.463 68.418 68.868 0.022 0.000 0.866 372 T HN 0.592 nan 8.240 nan 0.000 0.444 373 A N 1.342 124.160 122.820 -0.005 0.000 1.940 373 A HA -0.007 4.313 4.320 0.000 0.000 0.219 373 A C 2.312 179.870 177.584 -0.044 0.000 1.176 373 A CA 1.223 53.248 52.037 -0.021 0.000 0.631 373 A CB -0.846 18.147 19.000 -0.012 0.000 0.814 373 A HN 0.496 nan 8.150 nan 0.000 0.446 374 L N -0.890 120.307 121.223 -0.043 0.000 2.056 374 L HA -0.195 4.145 4.340 0.000 0.000 0.207 374 L C 2.546 179.364 176.870 -0.088 0.000 1.078 374 L CA 1.637 56.431 54.840 -0.077 0.000 0.749 374 L CB -0.696 41.308 42.059 -0.092 0.000 0.901 374 L HN 0.456 nan 8.230 nan 0.000 0.433 375 E N -0.065 120.093 120.200 -0.071 0.000 2.077 375 E HA -0.248 4.102 4.350 0.000 0.000 0.193 375 E C 2.260 178.827 176.600 -0.055 0.000 0.989 375 E CA 1.074 57.448 56.400 -0.044 0.000 0.800 375 E CB -0.084 29.631 29.700 0.025 0.000 0.746 375 E HN 0.531 nan 8.360 nan 0.000 0.452 376 Q N 0.538 120.268 119.800 -0.117 0.000 2.079 376 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 376 Q C 2.355 178.067 176.000 -0.480 0.000 0.974 376 Q CA 0.772 56.394 55.803 -0.301 0.000 0.840 376 Q CB -0.064 28.539 28.738 -0.226 0.000 0.898 376 Q HN 0.304 nan 8.270 nan 0.000 0.430 377 L N 0.163 121.262 121.223 -0.206 0.000 2.012 377 L HA -0.228 4.112 4.340 0.000 0.000 0.210 377 L C 2.214 179.103 176.870 0.031 0.000 1.073 377 L CA 1.552 56.353 54.840 -0.065 0.000 0.748 377 L CB -0.431 41.600 42.059 -0.047 0.000 0.891 377 L HN 0.260 nan 8.230 nan 0.000 0.431 378 A N -1.578 121.262 122.820 0.033 0.000 1.968 378 A HA -0.259 4.061 4.320 0.000 0.000 0.217 378 A C 2.208 179.967 177.584 0.291 0.000 1.169 378 A CA 1.293 53.446 52.037 0.193 0.000 0.638 378 A CB -0.884 18.226 19.000 0.182 0.000 0.812 378 A HN 0.655 nan 8.150 nan 0.000 0.446 379 H N -0.448 118.665 119.070 0.071 0.000 2.353 379 H HA -0.165 4.391 4.556 -0.000 0.000 0.300 379 H C 1.829 177.275 175.328 0.197 0.000 1.090 379 H CA 2.063 58.176 56.048 0.108 0.000 1.327 379 H CB -0.269 29.518 29.762 0.041 0.000 1.383 379 H HN 0.782 nan 8.280 nan 0.000 0.508 380 H N -1.083 118.048 119.070 0.103 0.000 2.357 380 H HA -0.074 4.482 4.556 0.000 0.000 0.301 380 H C 2.349 177.624 175.328 -0.089 0.000 1.082 380 H CA 0.744 56.790 56.048 -0.003 0.000 1.342 380 H CB 0.115 29.914 29.762 0.063 0.000 1.389 380 H HN 0.507 nan 8.280 nan 0.000 0.511 381 H N 0.075 119.128 119.070 -0.029 0.000 2.326 381 H HA -0.041 4.515 4.556 0.000 0.000 0.301 381 H C 0.604 175.755 175.328 -0.295 0.000 1.081 381 H CA 0.962 56.878 56.048 -0.221 0.000 1.334 381 H CB 0.181 29.706 29.762 -0.394 0.000 1.385 381 H HN 0.446 nan 8.280 nan 0.000 0.504 382 H N 0.000 119.122 119.070 0.087 0.000 2.539 382 H HA 0.000 4.556 4.556 0.000 0.000 0.296 382 H CA 0.000 56.056 56.048 0.014 0.000 1.023 382 H CB 0.000 29.772 29.762 0.017 0.000 1.292 382 H HN 0.000 nan 8.280 nan 0.000 0.496