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 2f43_1_B DATA FIRST_RESID 1 DATA SEQUENCE SAAPKAGTAT GQIVAVIGAV VDVQFDEGLP PILNALEVQG RESRLVLEVA DATA SEQUENCE QHLGESTVRT IAMDGTEGLV RGQKVLDSGA PIKIPVGPET LGRIMNVIGE DATA SEQUENCE PIDERGPIKT KQFAPIHAEA PEFIEMSVEQ EILVTGIKVV DLLAPYAKGG DATA SEQUENCE KIGLFGGAGV GKTVLIMELI NNVAKAHGGY SVFAGVGERT REGNDLYHEM DATA SEQUENCE IESGVINLKD ATSKVALVYG QMNEPPGARA RVALTGLTVA EYFRDQEGQD DATA SEQUENCE VLLFIDNIFR FTQAGSEVSA LLGRIPSAVG YQPTLATDMG TMQERITTTK DATA SEQUENCE KGSITSVQAI YVPADDLTDP APATTFAHLD ATTVLSRAIA ELGIYPAVDP DATA SEQUENCE LDSTSRIMDP NIVGSEHYDV ARGVQKILQD YKSLQDIIAI LGMDELSEEX DATA SEQUENCE XXXXXRARKI QRFLSQPFQV AEVFTGHMGK LVPLKETIKG FQQILAGDYD DATA SEQUENCE HLPEQAFYMV GPIEEAVAKA DKLAEEH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.597 174.600 -0.006 0.000 1.055 1 S CA 0.000 58.205 58.200 0.008 0.000 1.107 1 S CB 0.000 63.205 63.200 0.009 0.000 0.593 2 A N 1.015 123.828 122.820 -0.011 0.000 2.026 2 A HA 0.414 4.734 4.320 0.000 0.000 0.259 2 A C 0.203 177.779 177.584 -0.013 0.000 1.374 2 A CA 0.856 52.881 52.037 -0.020 0.000 0.717 2 A CB -1.925 17.051 19.000 -0.040 0.000 1.187 2 A HN 2.332 nan 8.150 nan 0.000 0.296 3 A N 3.560 126.375 122.820 -0.008 0.000 2.466 3 A HA 0.829 5.149 4.320 0.000 0.000 0.284 3 A C -1.351 176.232 177.584 -0.002 0.000 1.049 3 A CA -0.343 51.692 52.037 -0.002 0.000 0.760 3 A CB 0.884 19.884 19.000 0.001 0.000 1.274 3 A HN 1.130 nan 8.150 nan 0.000 0.412 4 P HA 0.424 nan 4.420 nan 0.000 0.297 4 P C -0.293 177.010 177.300 0.004 0.000 1.303 4 P CA -0.308 62.792 63.100 0.001 0.000 0.753 4 P CB 0.561 32.269 31.700 0.013 0.000 1.281 5 K N -1.153 119.250 120.400 0.005 0.000 2.136 5 K HA 0.364 4.684 4.320 0.000 0.000 0.237 5 K C 1.042 177.650 176.600 0.014 0.000 1.048 5 K CA -0.239 56.052 56.287 0.008 0.000 0.880 5 K CB -0.087 32.417 32.500 0.007 0.000 1.105 5 K HN 0.411 nan 8.250 nan 0.000 0.507 6 A N 0.705 123.532 122.820 0.013 0.000 2.265 6 A HA 0.148 4.468 4.320 0.000 0.000 0.213 6 A C 0.546 178.141 177.584 0.018 0.000 1.255 6 A CA 0.515 52.561 52.037 0.014 0.000 0.862 6 A CB -0.766 18.241 19.000 0.011 0.000 0.852 6 A HN 0.616 nan 8.150 nan 0.000 0.484 7 G N -0.409 108.406 108.800 0.024 0.000 2.566 7 G HA2 0.453 4.413 3.960 0.000 0.000 0.311 7 G HA3 0.453 4.413 3.960 0.000 0.000 0.311 7 G C 0.002 174.932 174.900 0.050 0.000 1.322 7 G CA 0.019 45.139 45.100 0.033 0.000 0.969 7 G HN 0.529 nan 8.290 nan 0.000 0.490 8 T N -0.691 113.896 114.554 0.056 0.000 2.517 8 T HA 0.158 4.508 4.350 0.000 0.000 0.229 8 T C 1.166 175.960 174.700 0.155 0.000 1.039 8 T CA 0.500 62.648 62.100 0.080 0.000 1.186 8 T CB 0.735 69.638 68.868 0.059 0.000 1.016 8 T HN 1.305 nan 8.240 nan 0.000 0.475 9 A N 3.460 126.378 122.820 0.163 0.000 2.532 9 A HA 0.436 4.756 4.320 0.000 0.000 0.273 9 A C 0.888 178.724 177.584 0.421 0.000 1.342 9 A CA -0.574 51.611 52.037 0.247 0.000 0.929 9 A CB 0.075 19.151 19.000 0.127 0.000 1.051 9 A HN 0.840 nan 8.150 nan 0.000 0.521 10 T N -0.011 114.696 114.554 0.256 0.000 2.807 10 T HA 0.609 4.959 4.350 0.000 0.000 0.279 10 T C 0.244 174.668 174.700 -0.461 0.000 0.993 10 T CA -0.056 62.015 62.100 -0.048 0.000 0.970 10 T CB 1.702 70.535 68.868 -0.058 0.000 0.950 10 T HN 0.412 nan 8.240 nan 0.000 0.441 11 G N 1.593 109.646 108.800 -1.246 0.000 2.600 11 G HA2 0.674 4.634 3.960 0.000 0.000 0.303 11 G HA3 0.674 4.634 3.960 0.000 0.000 0.303 11 G C -1.421 173.082 174.900 -0.662 0.000 1.253 11 G CA -1.014 43.258 45.100 -1.380 0.000 0.974 11 G HN 0.710 nan 8.290 nan 0.000 0.483 12 Q N -0.206 119.344 119.800 -0.417 0.000 2.340 12 Q HA 0.596 4.936 4.340 0.000 0.000 0.268 12 Q C -0.590 175.301 176.000 -0.180 0.000 1.031 12 Q CA -0.850 54.810 55.803 -0.239 0.000 0.804 12 Q CB 2.344 30.988 28.738 -0.156 0.000 1.286 12 Q HN 0.444 nan 8.270 nan 0.000 0.448 13 I N 3.388 123.877 120.570 -0.135 0.000 2.828 13 I HA -0.121 4.049 4.170 0.000 0.000 0.292 13 I C 0.902 176.982 176.117 -0.062 0.000 1.206 13 I CA 0.143 61.393 61.300 -0.083 0.000 1.420 13 I CB 0.667 38.631 38.000 -0.059 0.000 1.368 13 I HN 0.788 nan 8.210 nan 0.000 0.556 14 V N 3.261 123.147 119.914 -0.046 0.000 3.661 14 V HA 0.562 4.682 4.120 0.000 0.000 0.271 14 V C 0.578 176.659 176.094 -0.021 0.000 1.315 14 V CA 0.397 62.677 62.300 -0.033 0.000 1.072 14 V CB 0.123 31.930 31.823 -0.028 0.000 0.830 14 V HN 0.736 nan 8.190 nan 0.000 0.443 15 A N -0.097 122.712 122.820 -0.018 0.000 2.513 15 A HA 0.788 5.108 4.320 0.000 0.000 0.296 15 A C -1.250 176.329 177.584 -0.010 0.000 1.052 15 A CA -0.356 51.674 52.037 -0.012 0.000 0.714 15 A CB 2.067 21.063 19.000 -0.008 0.000 1.279 15 A HN 0.442 nan 8.150 nan 0.000 0.397 16 V N 2.492 122.400 119.914 -0.009 0.000 2.638 16 V HA 0.661 4.781 4.120 0.000 0.000 0.306 16 V C -0.837 175.254 176.094 -0.006 0.000 1.052 16 V CA -0.210 62.086 62.300 -0.007 0.000 0.885 16 V CB 1.611 33.429 31.823 -0.009 0.000 0.999 16 V HN 0.743 nan 8.190 nan 0.000 0.424 17 I N 3.871 124.438 120.570 -0.005 0.000 2.586 17 I HA 0.565 4.735 4.170 0.000 0.000 0.281 17 I C 0.896 177.010 176.117 -0.004 0.000 1.145 17 I CA 0.237 61.534 61.300 -0.004 0.000 1.073 17 I CB 1.645 39.642 38.000 -0.004 0.000 1.238 17 I HN 0.848 nan 8.210 nan 0.000 0.461 18 G N 4.443 113.241 108.800 -0.004 0.000 2.702 18 G HA2 -0.401 3.559 3.960 0.000 0.000 0.342 18 G HA3 -0.401 3.559 3.960 0.000 0.000 0.342 18 G C 1.025 175.922 174.900 -0.005 0.000 1.258 18 G CA 0.827 45.924 45.100 -0.005 0.000 0.990 18 G HN 0.951 nan 8.290 nan 0.000 0.548 19 A N -0.654 122.161 122.820 -0.007 0.000 2.259 19 A HA 0.557 4.877 4.320 0.000 0.000 0.208 19 A C 0.686 178.267 177.584 -0.005 0.000 1.201 19 A CA 1.496 53.528 52.037 -0.007 0.000 0.824 19 A CB -0.033 18.960 19.000 -0.012 0.000 0.838 19 A HN 1.323 nan 8.150 nan 0.000 0.485 20 V N 0.642 120.553 119.914 -0.004 0.000 2.444 20 V HA 0.403 4.523 4.120 0.000 0.000 0.294 20 V C -0.719 175.375 176.094 0.001 0.000 1.022 20 V CA -0.565 61.734 62.300 -0.001 0.000 0.850 20 V CB 1.583 33.404 31.823 -0.003 0.000 0.992 20 V HN 0.019 nan 8.190 nan 0.000 0.426 21 V N 3.822 123.739 119.914 0.005 0.000 2.487 21 V HA 0.447 4.567 4.120 0.000 0.000 0.298 21 V C -0.635 175.465 176.094 0.010 0.000 1.028 21 V CA -0.658 61.644 62.300 0.004 0.000 0.860 21 V CB 2.053 33.880 31.823 0.005 0.000 0.991 21 V HN 0.904 nan 8.190 nan 0.000 0.427 22 D N 3.015 123.418 120.400 0.005 0.000 2.177 22 D HA 0.638 5.278 4.640 0.000 0.000 0.247 22 D C -0.553 175.752 176.300 0.008 0.000 1.063 22 D CA 0.006 54.012 54.000 0.009 0.000 0.867 22 D CB 1.994 42.796 40.800 0.003 0.000 1.168 22 D HN 0.324 nan 8.370 nan 0.000 0.445 23 V N 1.961 121.895 119.914 0.033 0.000 2.962 23 V HA 0.480 4.600 4.120 0.000 0.000 0.313 23 V C -0.679 175.444 176.094 0.049 0.000 1.099 23 V CA -0.897 61.413 62.300 0.017 0.000 0.971 23 V CB 2.101 33.966 31.823 0.070 0.000 1.028 23 V HN 0.423 nan 8.190 nan 0.000 0.430 24 Q N 2.378 122.146 119.800 -0.052 0.000 2.347 24 Q HA 0.482 4.822 4.340 0.000 0.000 0.265 24 Q C -2.147 173.812 176.000 -0.067 0.000 1.024 24 Q CA -0.318 55.489 55.803 0.007 0.000 0.731 24 Q CB 1.473 30.199 28.738 -0.021 0.000 1.245 24 Q HN 0.591 nan 8.270 nan 0.000 0.472 25 F N 2.155 122.075 119.950 -0.050 0.000 2.425 25 F HA 0.290 4.817 4.527 0.000 0.000 0.331 25 F C 0.893 176.675 175.800 -0.029 0.000 1.085 25 F CA -0.493 57.484 58.000 -0.038 0.000 1.028 25 F CB 1.447 40.422 39.000 -0.042 0.000 1.177 25 F HN 0.498 nan 8.300 nan 0.000 0.487 26 D N -0.492 120.002 120.400 0.157 0.000 2.431 26 D HA 0.003 4.643 4.640 0.000 0.000 0.235 26 D C 0.897 177.251 176.300 0.090 0.000 0.980 26 D CA 0.634 54.688 54.000 0.091 0.000 0.912 26 D CB 0.277 41.102 40.800 0.041 0.000 1.056 26 D HN 0.413 nan 8.370 nan 0.000 0.494 27 E N 0.116 120.379 120.200 0.106 0.000 2.569 27 E HA 0.392 4.742 4.350 0.000 0.000 0.205 27 E C 0.098 176.744 176.600 0.076 0.000 1.006 27 E CA -0.129 56.316 56.400 0.076 0.000 0.985 27 E CB 1.279 31.014 29.700 0.058 0.000 1.060 27 E HN 0.182 nan 8.360 nan 0.000 0.460 28 G N 1.532 110.385 108.800 0.089 0.000 3.876 28 G HA2 0.047 4.007 3.960 0.000 0.000 0.249 28 G HA3 0.047 4.007 3.960 0.000 0.000 0.249 28 G C -0.516 174.313 174.900 -0.118 0.000 3.894 28 G CA -0.660 44.449 45.100 0.016 0.000 0.527 28 G HN -0.017 nan 8.290 nan 0.000 0.244 29 L N 2.870 124.023 121.223 -0.117 0.000 2.584 29 L HA 0.202 4.542 4.340 0.000 0.000 0.272 29 L C -1.473 175.231 176.870 -0.277 0.000 1.195 29 L CA -0.314 54.372 54.840 -0.257 0.000 0.920 29 L CB 0.487 42.496 42.059 -0.084 0.000 1.173 29 L HN 0.289 nan 8.230 nan 0.000 0.489 30 P HA 0.275 nan 4.420 nan 0.000 0.282 30 P C -2.577 174.699 177.300 -0.039 0.000 1.274 30 P CA -1.673 61.227 63.100 -0.335 0.000 0.770 30 P CB 0.681 32.051 31.700 -0.550 0.000 0.867 31 P HA 0.015 nan 4.420 nan 0.000 0.271 31 P C 0.679 178.053 177.300 0.124 0.000 1.228 31 P CA 0.326 63.476 63.100 0.084 0.000 0.797 31 P CB 0.380 32.061 31.700 -0.032 0.000 0.914 32 I N 1.450 122.049 120.570 0.050 0.000 2.836 32 I HA -0.078 4.092 4.170 0.000 0.000 0.285 32 I C 1.423 177.522 176.117 -0.030 0.000 1.174 32 I CA 0.365 61.683 61.300 0.030 0.000 1.405 32 I CB -0.197 37.782 38.000 -0.036 0.000 1.385 32 I HN 0.461 nan 8.210 nan 0.000 0.594 33 L N 1.542 122.738 121.223 -0.045 0.000 5.081 33 L HA -0.273 4.068 4.340 0.000 0.000 0.423 33 L C 0.075 176.949 176.870 0.007 0.000 1.019 33 L CA 0.238 55.029 54.840 -0.082 0.000 1.223 33 L CB -1.656 40.276 42.059 -0.211 0.000 1.940 33 L HN 0.684 nan 8.230 nan 0.000 0.675 34 N N 1.026 119.730 118.700 0.007 0.000 2.520 34 N HA 0.528 5.268 4.740 0.000 0.000 0.273 34 N C 0.260 175.787 175.510 0.028 0.000 1.155 34 N CA 0.779 53.837 53.050 0.012 0.000 0.967 34 N CB 1.113 39.590 38.487 -0.018 0.000 1.092 34 N HN 0.272 nan 8.380 nan 0.000 0.457 35 A N 3.096 125.934 122.820 0.030 0.000 2.362 35 A HA 0.441 4.761 4.320 0.000 0.000 0.276 35 A C -0.216 177.387 177.584 0.031 0.000 1.153 35 A CA -0.286 51.770 52.037 0.031 0.000 0.813 35 A CB -0.066 18.943 19.000 0.015 0.000 1.081 35 A HN 0.648 nan 8.150 nan 0.000 0.507 36 L N 2.213 123.465 121.223 0.047 0.000 2.346 36 L HA 0.450 4.790 4.340 0.000 0.000 0.274 36 L C -0.279 176.622 176.870 0.052 0.000 1.007 36 L CA -0.757 54.128 54.840 0.076 0.000 0.818 36 L CB 1.881 44.015 42.059 0.125 0.000 1.284 36 L HN 0.620 nan 8.230 nan 0.000 0.424 37 E N 2.695 122.925 120.200 0.051 0.000 2.109 37 E HA 0.272 4.622 4.350 0.000 0.000 0.278 37 E C -0.881 175.729 176.600 0.017 0.000 0.954 37 E CA -0.514 55.901 56.400 0.025 0.000 0.779 37 E CB 2.191 31.900 29.700 0.015 0.000 1.093 37 E HN 0.165 nan 8.360 nan 0.000 0.401 38 V N 4.800 124.719 119.914 0.007 0.000 2.455 38 V HA 0.031 4.151 4.120 0.000 0.000 0.273 38 V C 0.877 176.964 176.094 -0.012 0.000 1.045 38 V CA -0.572 61.724 62.300 -0.006 0.000 0.976 38 V CB 0.709 32.529 31.823 -0.006 0.000 0.993 38 V HN 0.476 nan 8.190 nan 0.000 0.475 39 Q N 2.923 122.710 119.800 -0.021 0.000 2.370 39 Q HA 0.307 4.647 4.340 0.000 0.000 0.186 39 Q C 1.606 177.594 176.000 -0.020 0.000 1.093 39 Q CA 0.356 56.147 55.803 -0.020 0.000 1.142 39 Q CB -0.017 28.705 28.738 -0.027 0.000 1.175 39 Q HN 1.102 nan 8.270 nan 0.000 0.625 40 G N 0.211 109.000 108.800 -0.019 0.000 2.244 40 G HA2 -0.314 3.646 3.960 0.000 0.000 0.274 40 G HA3 -0.314 3.646 3.960 0.000 0.000 0.274 40 G C 0.282 175.174 174.900 -0.013 0.000 1.002 40 G CA 1.194 46.284 45.100 -0.017 0.000 0.740 40 G HN 0.300 nan 8.290 nan 0.000 0.516 41 R N -0.230 120.264 120.500 -0.011 0.000 2.553 41 R HA 0.627 4.967 4.340 0.000 0.000 0.263 41 R C 0.996 177.292 176.300 -0.006 0.000 1.066 41 R CA -0.670 55.425 56.100 -0.008 0.000 1.135 41 R CB 0.432 30.728 30.300 -0.006 0.000 1.148 41 R HN 0.067 nan 8.270 nan 0.000 0.558 42 E N -0.236 119.962 120.200 -0.004 0.000 2.558 42 E HA 0.179 4.529 4.350 0.000 0.000 0.205 42 E C -0.473 176.126 176.600 -0.002 0.000 1.006 42 E CA 0.054 56.452 56.400 -0.003 0.000 0.961 42 E CB 0.687 30.385 29.700 -0.003 0.000 1.044 42 E HN 0.484 nan 8.360 nan 0.000 0.465 43 S N 0.030 115.729 115.700 -0.002 0.000 3.407 43 S HA 0.468 4.938 4.470 0.000 0.000 0.315 43 S C -1.541 173.059 174.600 -0.001 0.000 1.211 43 S CA -0.680 57.519 58.200 -0.000 0.000 1.148 43 S CB 0.852 64.052 63.200 0.001 0.000 1.511 43 S HN 0.044 nan 8.310 nan 0.000 0.604 44 R N 1.226 121.727 120.500 0.000 0.000 2.337 44 R HA 0.715 5.055 4.340 0.000 0.000 0.319 44 R C -1.838 174.463 176.300 0.002 0.000 0.954 44 R CA -0.441 55.658 56.100 -0.000 0.000 0.840 44 R CB 0.973 31.273 30.300 0.000 0.000 1.164 44 R HN 0.527 nan 8.270 nan 0.000 0.472 45 L N 5.481 126.705 121.223 0.002 0.000 2.316 45 L HA 0.569 4.909 4.340 0.000 0.000 0.280 45 L C -1.504 175.371 176.870 0.008 0.000 1.006 45 L CA -0.615 54.228 54.840 0.004 0.000 0.836 45 L CB 1.913 43.974 42.059 0.002 0.000 1.221 45 L HN 0.437 nan 8.230 nan 0.000 0.418 46 V N 6.280 126.201 119.914 0.011 0.000 2.459 46 V HA 0.496 4.616 4.120 0.000 0.000 0.295 46 V C -0.219 175.890 176.094 0.024 0.000 1.029 46 V CA -0.542 61.769 62.300 0.017 0.000 0.874 46 V CB 1.750 33.581 31.823 0.014 0.000 0.985 46 V HN 0.580 nan 8.190 nan 0.000 0.438 47 L N 3.854 125.097 121.223 0.033 0.000 2.319 47 L HA 0.556 4.896 4.340 0.000 0.000 0.281 47 L C 0.028 176.925 176.870 0.046 0.000 1.005 47 L CA -0.365 54.497 54.840 0.037 0.000 0.828 47 L CB 1.654 43.737 42.059 0.040 0.000 1.227 47 L HN 0.640 nan 8.230 nan 0.000 0.415 48 E N 2.475 122.702 120.200 0.045 0.000 2.259 48 E HA 0.271 4.622 4.350 0.000 0.000 0.281 48 E C -0.604 176.020 176.600 0.041 0.000 1.037 48 E CA -0.580 55.851 56.400 0.052 0.000 0.854 48 E CB 1.209 30.952 29.700 0.072 0.000 1.051 48 E HN 0.334 nan 8.360 nan 0.000 0.409 49 V N 4.014 123.949 119.914 0.035 0.000 2.740 49 V HA 0.170 4.290 4.120 0.000 0.000 0.303 49 V C 0.843 176.952 176.094 0.026 0.000 1.054 49 V CA 1.156 63.473 62.300 0.028 0.000 1.106 49 V CB 1.126 32.960 31.823 0.017 0.000 0.957 49 V HN 0.954 nan 8.190 nan 0.000 0.486 50 A N 3.694 126.533 122.820 0.032 0.000 2.027 50 A HA 0.384 4.704 4.320 0.000 0.000 0.196 50 A C 0.546 178.159 177.584 0.048 0.000 1.573 50 A CA 0.034 52.085 52.037 0.024 0.000 1.097 50 A CB 0.500 19.508 19.000 0.012 0.000 1.196 50 A HN 0.743 nan 8.150 nan 0.000 0.462 51 Q N -1.074 118.769 119.800 0.073 0.000 2.501 51 Q HA 0.420 4.760 4.340 0.000 0.000 0.288 51 Q C -1.417 174.679 176.000 0.160 0.000 1.051 51 Q CA -0.644 55.224 55.803 0.108 0.000 0.788 51 Q CB 1.798 30.569 28.738 0.055 0.000 1.469 51 Q HN 0.525 nan 8.270 nan 0.000 0.416 52 H N 2.121 121.182 119.070 -0.016 0.000 2.421 52 H HA 0.203 4.760 4.556 0.000 0.000 0.241 52 H C 0.741 176.068 175.328 -0.002 0.000 1.428 52 H CA -0.026 56.014 56.048 -0.013 0.000 1.136 52 H CB 0.243 29.990 29.762 -0.025 0.000 1.612 52 H HN 0.538 nan 8.280 nan 0.000 0.537 53 L N 0.605 121.856 121.223 0.047 0.000 2.356 53 L HA -0.295 4.045 4.340 0.000 0.000 0.219 53 L C 1.401 178.288 176.870 0.028 0.000 1.095 53 L CA 1.359 56.217 54.840 0.029 0.000 0.784 53 L CB -0.726 41.339 42.059 0.010 0.000 0.890 53 L HN 0.695 nan 8.230 nan 0.000 0.441 54 G N -1.219 107.600 108.800 0.030 0.000 2.685 54 G HA2 -0.171 3.789 3.960 0.000 0.000 0.387 54 G HA3 -0.171 3.789 3.960 0.000 0.000 0.387 54 G C 0.062 174.972 174.900 0.018 0.000 1.324 54 G CA -0.370 44.748 45.100 0.030 0.000 0.878 54 G HN 0.187 nan 8.290 nan 0.000 0.527 55 E N -1.316 118.895 120.200 0.018 0.000 2.539 55 E HA -0.270 4.080 4.350 0.000 0.000 0.253 55 E C 0.960 177.570 176.600 0.018 0.000 1.145 55 E CA 1.690 58.100 56.400 0.015 0.000 0.738 55 E CB -1.849 27.858 29.700 0.011 0.000 1.308 55 E HN 1.990 nan 8.360 nan 0.000 0.409 56 S N -1.293 114.419 115.700 0.021 0.000 3.559 56 S HA -0.204 4.266 4.470 0.000 0.000 0.369 56 S C 0.114 174.732 174.600 0.031 0.000 0.987 56 S CA 1.512 59.727 58.200 0.025 0.000 1.187 56 S CB -0.849 62.376 63.200 0.041 0.000 0.914 56 S HN 0.377 nan 8.310 nan 0.000 0.480 57 T N 0.978 115.533 114.554 0.002 0.000 2.881 57 T HA 0.598 4.948 4.350 0.000 0.000 0.290 57 T C 0.603 175.271 174.700 -0.053 0.000 1.000 57 T CA -0.427 61.679 62.100 0.009 0.000 0.978 57 T CB 1.756 70.629 68.868 0.009 0.000 0.997 57 T HN 0.303 nan 8.240 nan 0.000 0.443 58 V N 1.385 121.271 119.914 -0.046 0.000 3.561 58 V HA 0.889 5.009 4.120 0.000 0.000 0.290 58 V C -0.116 175.965 176.094 -0.022 0.000 1.052 58 V CA -1.101 61.127 62.300 -0.120 0.000 0.973 58 V CB 0.975 32.715 31.823 -0.138 0.000 1.243 58 V HN 0.754 nan 8.190 nan 0.000 0.432 59 R N 0.853 121.348 120.500 -0.008 0.000 2.531 59 R HA 0.547 4.887 4.340 0.000 0.000 0.293 59 R C -0.625 175.687 176.300 0.020 0.000 1.124 59 R CA 0.469 56.576 56.100 0.012 0.000 0.945 59 R CB 1.039 31.346 30.300 0.012 0.000 1.195 59 R HN 1.251 nan 8.270 nan 0.000 0.433 60 T N 1.147 115.717 114.554 0.026 0.000 2.952 60 T HA 0.696 5.046 4.350 0.000 0.000 0.286 60 T C 0.135 174.847 174.700 0.019 0.000 1.024 60 T CA -0.808 61.309 62.100 0.028 0.000 1.029 60 T CB 1.052 69.945 68.868 0.042 0.000 1.094 60 T HN 0.406 nan 8.240 nan 0.000 0.515 61 I N 1.574 122.156 120.570 0.020 0.000 2.382 61 I HA 0.532 4.702 4.170 0.000 0.000 0.286 61 I C 0.625 176.752 176.117 0.017 0.000 1.002 61 I CA -1.156 60.152 61.300 0.013 0.000 1.135 61 I CB 1.361 39.368 38.000 0.013 0.000 1.288 61 I HN 0.920 nan 8.210 nan 0.000 0.448 62 A N 6.906 129.733 122.820 0.011 0.000 2.520 62 A HA 0.273 4.593 4.320 0.000 0.000 0.245 62 A C 0.965 178.556 177.584 0.012 0.000 1.072 62 A CA -0.031 52.013 52.037 0.011 0.000 0.761 62 A CB 0.276 19.279 19.000 0.006 0.000 1.004 62 A HN 0.752 nan 8.150 nan 0.000 0.499 63 M N 0.862 120.471 119.600 0.016 0.000 2.556 63 M HA 0.164 4.644 4.480 0.000 0.000 0.245 63 M C 0.104 176.412 176.300 0.013 0.000 1.128 63 M CA 0.707 56.017 55.300 0.017 0.000 1.069 63 M CB -1.043 31.569 32.600 0.019 0.000 1.469 63 M HN 0.889 nan 8.290 nan 0.000 0.494 64 D N -1.817 118.589 120.400 0.010 0.000 2.779 64 D HA 0.452 5.092 4.640 0.000 0.000 0.331 64 D C -0.345 175.958 176.300 0.005 0.000 1.331 64 D CA -0.200 53.805 54.000 0.008 0.000 0.866 64 D CB 0.592 41.397 40.800 0.008 0.000 1.409 64 D HN 0.084 nan 8.370 nan 0.000 0.486 65 G N -0.941 107.861 108.800 0.004 0.000 2.464 65 G HA2 0.306 4.266 3.960 0.000 0.000 0.231 65 G HA3 0.306 4.266 3.960 0.000 0.000 0.231 65 G C 0.578 175.479 174.900 0.001 0.000 1.267 65 G CA 0.649 45.751 45.100 0.002 0.000 0.863 65 G HN 0.414 nan 8.290 nan 0.000 0.559 66 T N -0.119 114.435 114.554 -0.001 0.000 3.134 66 T HA 0.226 4.576 4.350 0.000 0.000 0.260 66 T C 0.473 175.171 174.700 -0.003 0.000 1.027 66 T CA -0.323 61.776 62.100 -0.002 0.000 0.913 66 T CB 0.264 69.131 68.868 -0.003 0.000 1.046 66 T HN 0.530 nan 8.240 nan 0.000 0.553 67 E N 1.645 121.843 120.200 -0.002 0.000 2.565 67 E HA 0.338 4.688 4.350 0.000 0.000 0.268 67 E C 1.543 178.141 176.600 -0.004 0.000 1.000 67 E CA 1.316 57.715 56.400 -0.003 0.000 0.964 67 E CB -0.354 29.345 29.700 -0.002 0.000 0.955 67 E HN 0.354 nan 8.360 nan 0.000 0.459 68 G N 2.044 110.841 108.800 -0.005 0.000 2.249 68 G HA2 -0.349 3.611 3.960 0.000 0.000 0.273 68 G HA3 -0.349 3.611 3.960 0.000 0.000 0.273 68 G C 0.319 175.214 174.900 -0.009 0.000 0.995 68 G CA 0.484 45.580 45.100 -0.007 0.000 0.671 68 G HN 0.402 nan 8.290 nan 0.000 0.539 69 L N -0.088 121.130 121.223 -0.009 0.000 2.506 69 L HA 0.325 4.665 4.340 0.000 0.000 0.281 69 L C 0.593 177.454 176.870 -0.015 0.000 1.228 69 L CA 0.104 54.936 54.840 -0.013 0.000 0.850 69 L CB 0.904 42.956 42.059 -0.012 0.000 1.110 69 L HN -0.006 nan 8.230 nan 0.000 0.496 70 V N 3.898 123.800 119.914 -0.019 0.000 2.656 70 V HA 0.285 4.405 4.120 0.000 0.000 0.307 70 V C 0.356 176.434 176.094 -0.027 0.000 1.051 70 V CA -0.863 61.425 62.300 -0.021 0.000 0.893 70 V CB 1.757 33.568 31.823 -0.020 0.000 0.999 70 V HN 0.643 nan 8.190 nan 0.000 0.426 71 R N 2.630 123.115 120.500 -0.025 0.000 2.842 71 R HA 0.273 4.613 4.340 0.000 0.000 0.260 71 R C 1.110 177.389 176.300 -0.035 0.000 1.495 71 R CA 1.089 57.172 56.100 -0.029 0.000 1.024 71 R CB -0.651 29.635 30.300 -0.023 0.000 1.147 71 R HN 1.126 nan 8.270 nan 0.000 0.553 72 G N 1.647 110.420 108.800 -0.046 0.000 3.246 72 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 72 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 72 G C -0.135 174.727 174.900 -0.064 0.000 0.978 72 G CA -0.711 44.357 45.100 -0.054 0.000 0.825 72 G HN 0.488 nan 8.290 nan 0.000 0.546 73 Q N 0.969 120.735 119.800 -0.057 0.000 2.304 73 Q HA 0.233 4.573 4.340 0.000 0.000 0.301 73 Q C -0.184 175.765 176.000 -0.084 0.000 1.063 73 Q CA 0.606 56.374 55.803 -0.058 0.000 0.947 73 Q CB 0.515 29.225 28.738 -0.045 0.000 1.201 73 Q HN 0.119 nan 8.270 nan 0.000 0.389 74 K N 1.269 121.620 120.400 -0.082 0.000 2.350 74 K HA 0.260 4.580 4.320 0.000 0.000 0.279 74 K C -0.861 175.676 176.600 -0.104 0.000 1.027 74 K CA -0.073 56.148 56.287 -0.110 0.000 0.969 74 K CB 1.035 33.484 32.500 -0.085 0.000 0.954 74 K HN 0.244 nan 8.250 nan 0.000 0.474 75 V N 4.554 124.371 119.914 -0.162 0.000 2.487 75 V HA 0.332 4.452 4.120 0.000 0.000 0.298 75 V C -0.859 175.200 176.094 -0.057 0.000 1.028 75 V CA -1.049 61.191 62.300 -0.099 0.000 0.860 75 V CB 1.678 33.438 31.823 -0.104 0.000 0.991 75 V HN 0.572 nan 8.190 nan 0.000 0.427 76 L N 4.108 125.353 121.223 0.037 0.000 2.334 76 L HA 0.581 4.921 4.340 0.000 0.000 0.277 76 L C -0.213 176.767 176.870 0.183 0.000 1.075 76 L CA 0.167 55.064 54.840 0.096 0.000 0.804 76 L CB 1.459 43.546 42.059 0.047 0.000 1.174 76 L HN 0.699 nan 8.230 nan 0.000 0.438 77 D N 1.175 121.706 120.400 0.219 0.000 2.373 77 D HA 0.189 4.829 4.640 0.000 0.000 0.227 77 D C 0.966 177.298 176.300 0.054 0.000 1.091 77 D CA 0.361 54.446 54.000 0.141 0.000 0.840 77 D CB 1.407 42.261 40.800 0.090 0.000 1.060 77 D HN 0.598 nan 8.370 nan 0.000 0.502 78 S N 3.182 118.899 115.700 0.027 0.000 2.368 78 S HA 0.042 4.512 4.470 0.000 0.000 0.224 78 S C 1.721 176.313 174.600 -0.013 0.000 1.029 78 S CA 1.089 59.287 58.200 -0.003 0.000 0.988 78 S CB -0.436 62.753 63.200 -0.018 0.000 0.838 78 S HN 1.063 nan 8.310 nan 0.000 0.462 79 G N 0.210 109.000 108.800 -0.017 0.000 2.134 79 G HA2 0.284 4.244 3.960 0.000 0.000 0.209 79 G HA3 0.284 4.244 3.960 0.000 0.000 0.209 79 G C 0.070 174.957 174.900 -0.020 0.000 0.993 79 G CA -0.138 44.948 45.100 -0.024 0.000 0.669 79 G HN 1.664 nan 8.290 nan 0.000 0.519 80 A N -1.179 121.631 122.820 -0.017 0.000 2.599 80 A HA 0.840 5.160 4.320 0.000 0.000 0.294 80 A C -2.938 174.649 177.584 0.006 0.000 1.055 80 A CA -0.553 51.480 52.037 -0.007 0.000 0.683 80 A CB 0.975 19.965 19.000 -0.016 0.000 1.278 80 A HN 0.095 nan 8.150 nan 0.000 0.412 81 P HA 0.179 nan 4.420 nan 0.000 0.273 81 P C -0.220 177.105 177.300 0.042 0.000 1.258 81 P CA -0.139 63.009 63.100 0.080 0.000 0.802 81 P CB 0.279 32.081 31.700 0.169 0.000 1.040 82 I N 0.782 121.385 120.570 0.055 0.000 2.671 82 I HA -0.069 4.101 4.170 0.000 0.000 0.285 82 I C 0.882 176.986 176.117 -0.022 0.000 1.148 82 I CA 0.677 61.980 61.300 0.005 0.000 1.386 82 I CB -0.437 37.566 38.000 0.005 0.000 1.406 82 I HN 0.141 nan 8.210 nan 0.000 0.540 83 K N 8.442 128.813 120.400 -0.047 0.000 2.323 83 K HA 0.617 4.937 4.320 0.000 0.000 0.259 83 K C -0.625 175.968 176.600 -0.012 0.000 0.947 83 K CA -0.752 55.514 56.287 -0.035 0.000 0.819 83 K CB 2.195 34.668 32.500 -0.045 0.000 1.109 83 K HN 0.535 nan 8.250 nan 0.000 0.429 84 I N -0.927 119.671 120.570 0.047 0.000 2.577 84 I HA 0.453 4.623 4.170 0.000 0.000 0.305 84 I C -2.481 173.759 176.117 0.204 0.000 0.986 84 I CA -2.932 58.429 61.300 0.102 0.000 1.189 84 I CB 1.646 39.658 38.000 0.021 0.000 1.355 84 I HN 0.394 nan 8.210 nan 0.000 0.476 85 P HA 0.100 nan 4.420 nan 0.000 0.271 85 P C -0.510 176.655 177.300 -0.226 0.000 1.226 85 P CA 0.020 63.089 63.100 -0.052 0.000 0.765 85 P CB 1.252 32.833 31.700 -0.199 0.000 0.835 86 V N 1.140 120.824 119.914 -0.383 0.000 2.667 86 V HA 1.019 5.139 4.120 0.000 0.000 0.308 86 V C 0.374 175.857 176.094 -1.018 0.000 1.048 86 V CA -0.398 61.505 62.300 -0.662 0.000 0.928 86 V CB 1.198 32.630 31.823 -0.651 0.000 1.004 86 V HN 0.947 nan 8.190 nan 0.000 0.444 87 G N 2.871 111.002 108.800 -1.116 0.000 2.356 87 G HA2 0.335 4.295 3.960 0.000 0.000 0.300 87 G HA3 0.335 4.295 3.960 0.000 0.000 0.300 87 G C -2.776 172.048 174.900 -0.128 0.000 1.331 87 G CA 0.103 44.745 45.100 -0.763 0.000 0.905 87 G HN 0.541 nan 8.290 nan 0.000 0.587 88 P HA 0.054 nan 4.420 nan 0.000 0.225 88 P C 0.704 178.026 177.300 0.036 0.000 1.156 88 P CA 0.922 64.162 63.100 0.233 0.000 0.787 88 P CB 0.207 32.029 31.700 0.203 0.000 0.802 89 E N 0.500 120.686 120.200 -0.025 0.000 2.357 89 E HA 0.001 4.351 4.350 0.000 0.000 0.194 89 E C 0.941 177.497 176.600 -0.074 0.000 1.177 89 E CA 0.804 57.168 56.400 -0.061 0.000 0.998 89 E CB -0.828 28.817 29.700 -0.092 0.000 1.106 89 E HN 0.418 nan 8.360 nan 0.000 0.470 90 T N -3.316 111.212 114.554 -0.043 0.000 3.041 90 T HA 0.197 4.547 4.350 0.000 0.000 0.276 90 T C 0.627 175.332 174.700 0.007 0.000 0.948 90 T CA -0.388 61.691 62.100 -0.035 0.000 0.885 90 T CB -0.059 68.770 68.868 -0.065 0.000 1.175 90 T HN -0.026 nan 8.240 nan 0.000 0.529 91 L N 1.817 123.039 121.223 -0.002 0.000 2.452 91 L HA 0.535 4.875 4.340 0.000 0.000 0.267 91 L C 1.791 178.634 176.870 -0.044 0.000 1.188 91 L CA 1.020 55.827 54.840 -0.056 0.000 0.821 91 L CB 0.239 42.157 42.059 -0.235 0.000 1.102 91 L HN 0.504 nan 8.230 nan 0.000 0.470 92 G N 0.790 109.574 108.800 -0.028 0.000 2.189 92 G HA2 -0.239 3.721 3.960 0.000 0.000 0.267 92 G HA3 -0.239 3.721 3.960 0.000 0.000 0.267 92 G C 0.506 175.414 174.900 0.014 0.000 0.975 92 G CA 0.011 45.111 45.100 0.001 0.000 0.644 92 G HN 0.448 nan 8.290 nan 0.000 0.537 93 R N -0.496 119.997 120.500 -0.011 0.000 2.797 93 R HA 0.794 5.134 4.340 0.000 0.000 0.251 93 R C 0.120 176.376 176.300 -0.074 0.000 1.107 93 R CA -0.979 55.100 56.100 -0.035 0.000 1.084 93 R CB 0.757 31.040 30.300 -0.029 0.000 1.205 93 R HN 0.254 nan 8.270 nan 0.000 0.515 94 I N 1.607 122.103 120.570 -0.123 0.000 2.418 94 I HA 0.364 4.534 4.170 0.000 0.000 0.287 94 I C 0.159 176.245 176.117 -0.051 0.000 1.008 94 I CA -0.276 60.947 61.300 -0.129 0.000 1.104 94 I CB 1.627 39.434 38.000 -0.321 0.000 1.264 94 I HN 0.203 nan 8.210 nan 0.000 0.438 95 M N 5.537 125.146 119.600 0.015 0.000 2.706 95 M HA 0.444 4.924 4.480 0.000 0.000 0.304 95 M C -0.286 176.047 176.300 0.055 0.000 1.217 95 M CA -0.514 54.801 55.300 0.024 0.000 0.922 95 M CB 2.228 34.841 32.600 0.022 0.000 1.637 95 M HN 0.665 nan 8.290 nan 0.000 0.492 96 N N -1.340 117.384 118.700 0.040 0.000 2.619 96 N HA 0.391 5.131 4.740 0.000 0.000 0.294 96 N C 0.077 175.607 175.510 0.033 0.000 1.279 96 N CA -0.993 52.088 53.050 0.052 0.000 0.867 96 N CB 1.163 39.673 38.487 0.038 0.000 1.329 96 N HN 0.311 nan 8.380 nan 0.000 0.557 97 V N -0.230 119.702 119.914 0.030 0.000 3.362 97 V HA -0.125 3.995 4.120 0.000 0.000 0.275 97 V C 0.911 177.009 176.094 0.005 0.000 1.208 97 V CA 1.005 63.314 62.300 0.014 0.000 1.195 97 V CB -1.518 30.316 31.823 0.017 0.000 0.843 97 V HN 0.647 nan 8.190 nan 0.000 0.556 98 I N -0.933 119.642 120.570 0.009 0.000 4.779 98 I HA 0.338 4.508 4.170 0.000 0.000 0.339 98 I C 1.590 177.714 176.117 0.012 0.000 1.293 98 I CA 1.114 62.416 61.300 0.003 0.000 1.324 98 I CB 0.385 38.387 38.000 0.003 0.000 1.424 98 I HN 0.413 nan 8.210 nan 0.000 0.489 99 G N 1.889 110.701 108.800 0.020 0.000 2.163 99 G HA2 -0.183 3.777 3.960 0.000 0.000 0.213 99 G HA3 -0.183 3.777 3.960 0.000 0.000 0.213 99 G C 0.124 175.046 174.900 0.037 0.000 0.991 99 G CA -0.308 44.813 45.100 0.035 0.000 0.653 99 G HN 0.379 nan 8.290 nan 0.000 0.518 100 E N 0.964 121.179 120.200 0.025 0.000 2.373 100 E HA 0.300 4.650 4.350 0.000 0.000 0.267 100 E C -2.550 174.057 176.600 0.012 0.000 1.032 100 E CA -1.435 54.977 56.400 0.020 0.000 0.889 100 E CB 0.915 30.623 29.700 0.014 0.000 0.984 100 E HN 0.147 nan 8.360 nan 0.000 0.425 101 P HA 0.101 nan 4.420 nan 0.000 0.282 101 P C 0.110 177.399 177.300 -0.017 0.000 1.262 101 P CA 0.110 63.205 63.100 -0.008 0.000 0.773 101 P CB 0.305 32.002 31.700 -0.006 0.000 0.879 102 I N 0.064 120.611 120.570 -0.038 0.000 4.154 102 I HA 0.235 4.405 4.170 0.000 0.000 0.334 102 I C 0.428 176.494 176.117 -0.084 0.000 1.371 102 I CA -0.025 61.245 61.300 -0.050 0.000 1.110 102 I CB 0.179 38.151 38.000 -0.048 0.000 1.085 102 I HN 0.062 nan 8.210 nan 0.000 0.398 103 D N 1.216 121.557 120.400 -0.098 0.000 2.325 103 D HA -0.047 4.593 4.640 0.000 0.000 0.225 103 D C 0.984 177.277 176.300 -0.013 0.000 1.096 103 D CA 0.148 54.083 54.000 -0.109 0.000 0.844 103 D CB 0.111 40.801 40.800 -0.182 0.000 0.925 103 D HN 0.608 nan 8.370 nan 0.000 0.513 104 E N -0.184 120.008 120.200 -0.014 0.000 3.870 104 E HA -0.315 4.035 4.350 0.000 0.000 0.329 104 E C 0.380 176.986 176.600 0.009 0.000 0.702 104 E CA 0.977 57.379 56.400 0.004 0.000 1.174 104 E CB -1.071 28.638 29.700 0.015 0.000 1.619 104 E HN 0.326 nan 8.360 nan 0.000 0.441 105 R N 0.580 121.087 120.500 0.011 0.000 2.514 105 R HA 0.201 4.541 4.340 0.000 0.000 0.216 105 R C 0.989 177.290 176.300 0.003 0.000 1.295 105 R CA 0.490 56.596 56.100 0.011 0.000 1.246 105 R CB -0.119 30.191 30.300 0.017 0.000 1.057 105 R HN 0.369 nan 8.270 nan 0.000 0.490 106 G N 1.269 110.070 108.800 0.002 0.000 2.782 106 G HA2 -0.236 3.724 3.960 0.000 0.000 0.228 106 G HA3 -0.236 3.724 3.960 0.000 0.000 0.228 106 G C -2.297 172.603 174.900 0.000 0.000 1.372 106 G CA -1.294 43.807 45.100 0.002 0.000 0.862 106 G HN 0.111 nan 8.290 nan 0.000 0.547 107 P HA 0.203 nan 4.420 nan 0.000 0.264 107 P C 0.257 177.553 177.300 -0.007 0.000 1.173 107 P CA 0.278 63.381 63.100 0.005 0.000 0.761 107 P CB 0.257 31.963 31.700 0.009 0.000 0.794 108 I N 3.430 123.995 120.570 -0.009 0.000 2.313 108 I HA 0.108 4.279 4.170 0.000 0.000 0.286 108 I C 0.523 176.597 176.117 -0.071 0.000 1.091 108 I CA -0.472 60.805 61.300 -0.039 0.000 1.216 108 I CB 0.097 38.074 38.000 -0.039 0.000 1.434 108 I HN 0.143 nan 8.210 nan 0.000 0.487 109 K N 5.215 125.574 120.400 -0.068 0.000 2.382 109 K HA 0.194 4.514 4.320 0.000 0.000 0.286 109 K C 0.084 176.594 176.600 -0.149 0.000 1.062 109 K CA 0.086 56.321 56.287 -0.087 0.000 1.000 109 K CB 0.227 32.695 32.500 -0.053 0.000 0.954 109 K HN 0.551 nan 8.250 nan 0.000 0.470 110 T N -0.661 113.744 114.554 -0.248 0.000 2.903 110 T HA 0.280 4.630 4.350 0.000 0.000 0.299 110 T C 0.649 175.134 174.700 -0.359 0.000 1.093 110 T CA -1.236 60.666 62.100 -0.331 0.000 1.002 110 T CB 1.577 70.152 68.868 -0.487 0.000 1.127 110 T HN 0.226 nan 8.240 nan 0.000 0.488 111 K N 0.692 120.937 120.400 -0.259 0.000 2.097 111 K HA 0.002 4.322 4.320 0.000 0.000 0.206 111 K C 1.069 177.552 176.600 -0.196 0.000 1.049 111 K CA 1.358 57.546 56.287 -0.165 0.000 0.933 111 K CB -0.359 32.097 32.500 -0.074 0.000 0.717 111 K HN 0.870 nan 8.250 nan 0.000 0.442 112 Q N -0.832 118.767 119.800 -0.335 0.000 2.737 112 Q HA 0.403 4.743 4.340 0.000 0.000 0.307 112 Q C -1.327 174.418 176.000 -0.425 0.000 0.905 112 Q CA -0.818 54.849 55.803 -0.227 0.000 0.753 112 Q CB 0.686 29.436 28.738 0.021 0.000 1.463 112 Q HN -0.051 nan 8.270 nan 0.000 0.455 113 F N -0.319 119.592 119.950 -0.064 0.000 2.599 113 F HA 0.908 5.435 4.527 0.000 0.000 0.311 113 F C -0.260 175.508 175.800 -0.052 0.000 1.076 113 F CA -0.725 57.224 58.000 -0.086 0.000 0.937 113 F CB 2.263 41.226 39.000 -0.063 0.000 1.282 113 F HN 0.798 nan 8.300 nan 0.000 0.460 114 A N 2.300 125.199 122.820 0.132 0.000 2.340 114 A HA 0.868 5.188 4.320 0.000 0.000 0.331 114 A C -2.796 174.818 177.584 0.050 0.000 1.140 114 A CA -1.998 50.090 52.037 0.085 0.000 0.801 114 A CB 1.098 20.139 19.000 0.067 0.000 1.234 114 A HN 0.448 nan 8.150 nan 0.000 0.469 115 P HA 0.113 nan 4.420 nan 0.000 0.271 115 P C 0.629 177.915 177.300 -0.024 0.000 1.216 115 P CA -0.007 63.103 63.100 0.018 0.000 0.776 115 P CB 0.545 32.271 31.700 0.043 0.000 0.881 116 I N -1.111 119.402 120.570 -0.095 0.000 3.291 116 I HA 0.081 4.251 4.170 0.000 0.000 0.279 116 I C 0.371 176.286 176.117 -0.337 0.000 1.294 116 I CA 0.504 61.676 61.300 -0.214 0.000 1.428 116 I CB -0.731 37.103 38.000 -0.276 0.000 1.070 116 I HN 0.221 nan 8.210 nan 0.000 0.478 117 H N 2.758 121.830 119.070 0.002 0.000 2.673 117 H HA 0.751 5.307 4.556 0.000 0.000 0.293 117 H C -0.565 174.766 175.328 0.004 0.000 1.065 117 H CA -0.494 55.556 56.048 0.004 0.000 1.236 117 H CB 1.359 31.128 29.762 0.011 0.000 1.389 117 H HN 0.377 nan 8.280 nan 0.000 0.481 118 A N 3.061 125.933 122.820 0.087 0.000 2.413 118 A HA 0.379 4.699 4.320 0.000 0.000 0.307 118 A C -0.025 177.589 177.584 0.051 0.000 1.087 118 A CA -0.887 51.185 52.037 0.058 0.000 0.750 118 A CB 1.591 20.610 19.000 0.031 0.000 1.296 118 A HN 0.463 nan 8.150 nan 0.000 0.423 119 E N 1.226 121.452 120.200 0.042 0.000 2.417 119 E HA 0.315 4.665 4.350 0.000 0.000 0.261 119 E C 0.669 177.288 176.600 0.032 0.000 1.000 119 E CA 0.371 56.793 56.400 0.037 0.000 0.919 119 E CB 1.003 30.721 29.700 0.031 0.000 0.955 119 E HN 0.742 nan 8.360 nan 0.000 0.455 120 A N 6.264 129.105 122.820 0.034 0.000 2.466 120 A HA 0.214 4.534 4.320 0.000 0.000 0.238 120 A C -1.803 175.801 177.584 0.034 0.000 1.074 120 A CA -0.966 51.089 52.037 0.031 0.000 0.774 120 A CB -0.424 18.599 19.000 0.038 0.000 1.015 120 A HN 0.399 nan 8.150 nan 0.000 0.498 121 P HA 0.096 nan 4.420 nan 0.000 0.268 121 P C -0.314 177.016 177.300 0.050 0.000 1.204 121 P CA 0.242 63.359 63.100 0.028 0.000 0.768 121 P CB 0.510 32.219 31.700 0.015 0.000 0.842 122 E N 1.176 121.409 120.200 0.055 0.000 2.376 122 E HA 0.037 4.387 4.350 0.000 0.000 0.254 122 E C 0.741 177.420 176.600 0.132 0.000 1.213 122 E CA -0.528 55.931 56.400 0.097 0.000 0.945 122 E CB 0.154 29.905 29.700 0.085 0.000 1.057 122 E HN 0.337 nan 8.360 nan 0.000 0.479 123 F N 1.505 121.458 119.950 0.005 0.000 2.095 123 F HA -0.144 4.383 4.527 0.000 0.000 0.298 123 F C 1.696 177.497 175.800 0.002 0.000 1.104 123 F CA 1.222 59.224 58.000 0.003 0.000 1.232 123 F CB -0.165 38.837 39.000 0.003 0.000 0.987 123 F HN 0.388 nan 8.300 nan 0.000 0.475 124 I N -0.879 119.729 120.570 0.062 0.000 3.607 124 I HA 0.143 4.313 4.170 0.000 0.000 0.303 124 I C 0.782 176.864 176.117 -0.059 0.000 1.261 124 I CA 0.631 61.906 61.300 -0.042 0.000 1.215 124 I CB -1.014 37.010 38.000 0.040 0.000 1.043 124 I HN 0.057 nan 8.210 nan 0.000 0.465 125 E N -0.406 119.746 120.200 -0.080 0.000 2.444 125 E HA 0.303 4.653 4.350 0.000 0.000 0.209 125 E C 0.763 177.309 176.600 -0.091 0.000 0.806 125 E CA 0.076 56.441 56.400 -0.058 0.000 1.240 125 E CB 0.103 29.792 29.700 -0.020 0.000 1.238 125 E HN 0.281 nan 8.360 nan 0.000 0.591 126 M N 0.230 119.743 119.600 -0.145 0.000 2.162 126 M HA 0.118 4.598 4.480 0.000 0.000 0.273 126 M C 0.098 176.309 176.300 -0.149 0.000 1.189 126 M CA 0.522 55.730 55.300 -0.154 0.000 1.132 126 M CB 0.401 32.860 32.600 -0.235 0.000 1.358 126 M HN -0.100 nan 8.290 nan 0.000 0.430 127 S N -0.554 115.077 115.700 -0.115 0.000 2.668 127 S HA 0.505 4.975 4.470 0.000 0.000 0.277 127 S C 0.263 174.818 174.600 -0.075 0.000 1.170 127 S CA -0.915 57.231 58.200 -0.089 0.000 0.994 127 S CB 0.906 64.070 63.200 -0.059 0.000 1.051 127 S HN 0.402 nan 8.310 nan 0.000 0.484 128 V N 2.886 122.755 119.914 -0.074 0.000 2.871 128 V HA 0.103 4.223 4.120 0.000 0.000 0.256 128 V C 1.111 177.184 176.094 -0.035 0.000 1.082 128 V CA 0.683 62.951 62.300 -0.053 0.000 1.105 128 V CB -0.754 31.038 31.823 -0.052 0.000 0.713 128 V HN 0.833 nan 8.190 nan 0.000 0.473 129 E N 1.995 122.175 120.200 -0.033 0.000 2.491 129 E HA -0.048 4.302 4.350 0.000 0.000 0.250 129 E C 0.152 176.743 176.600 -0.015 0.000 1.061 129 E CA 0.533 56.920 56.400 -0.022 0.000 0.942 129 E CB -0.078 29.610 29.700 -0.021 0.000 0.957 129 E HN 0.504 nan 8.360 nan 0.000 0.480 130 Q N 3.813 123.607 119.800 -0.009 0.000 2.721 130 Q HA 0.143 4.483 4.340 0.000 0.000 0.257 130 Q C -0.787 175.217 176.000 0.006 0.000 1.070 130 Q CA -0.555 55.248 55.803 -0.001 0.000 0.910 130 Q CB 0.952 29.689 28.738 -0.001 0.000 1.163 130 Q HN 0.405 nan 8.270 nan 0.000 0.501 131 E N 1.944 122.149 120.200 0.009 0.000 2.259 131 E HA 0.179 4.529 4.350 0.000 0.000 0.281 131 E C -0.569 176.047 176.600 0.027 0.000 1.037 131 E CA -0.545 55.863 56.400 0.014 0.000 0.854 131 E CB 0.621 30.328 29.700 0.012 0.000 1.051 131 E HN 0.407 nan 8.360 nan 0.000 0.409 132 I N 4.191 124.781 120.570 0.033 0.000 3.112 132 I HA 0.204 4.374 4.170 0.000 0.000 0.284 132 I C -1.037 175.112 176.117 0.053 0.000 1.227 132 I CA 0.119 61.448 61.300 0.048 0.000 1.369 132 I CB 0.514 38.544 38.000 0.049 0.000 1.376 132 I HN 0.606 nan 8.210 nan 0.000 0.608 133 L N 6.733 127.997 121.223 0.069 0.000 2.580 133 L HA 0.454 4.794 4.340 0.000 0.000 0.266 133 L C -1.315 175.597 176.870 0.070 0.000 0.955 133 L CA -0.312 54.571 54.840 0.071 0.000 0.886 133 L CB 1.408 43.516 42.059 0.081 0.000 1.263 133 L HN 0.350 nan 8.230 nan 0.000 0.406 134 V N 3.541 123.483 119.914 0.046 0.000 2.607 134 V HA 0.449 4.569 4.120 0.000 0.000 0.289 134 V C 1.232 177.330 176.094 0.007 0.000 1.053 134 V CA 0.524 62.835 62.300 0.019 0.000 0.996 134 V CB 1.390 33.221 31.823 0.013 0.000 0.995 134 V HN 0.927 nan 8.190 nan 0.000 0.476 135 T N -0.472 114.060 114.554 -0.037 0.000 2.955 135 T HA 0.247 4.597 4.350 0.000 0.000 0.251 135 T C 1.142 175.805 174.700 -0.061 0.000 1.002 135 T CA 0.667 62.736 62.100 -0.051 0.000 0.970 135 T CB 0.233 69.028 68.868 -0.122 0.000 1.091 135 T HN 1.712 nan 8.240 nan 0.000 0.495 136 G N 1.827 110.589 108.800 -0.063 0.000 2.370 136 G HA2 -0.136 3.824 3.960 0.000 0.000 0.295 136 G HA3 -0.136 3.824 3.960 0.000 0.000 0.295 136 G C -0.281 174.583 174.900 -0.060 0.000 1.045 136 G CA 0.388 45.455 45.100 -0.056 0.000 1.199 136 G HN 0.759 nan 8.290 nan 0.000 0.513 137 I N -0.695 119.830 120.570 -0.075 0.000 2.865 137 I HA 0.393 4.563 4.170 0.000 0.000 0.302 137 I C 0.965 177.064 176.117 -0.030 0.000 1.140 137 I CA -1.431 59.839 61.300 -0.050 0.000 1.021 137 I CB 1.697 39.637 38.000 -0.100 0.000 1.233 137 I HN -0.062 nan 8.210 nan 0.000 0.427 138 K N 1.944 122.356 120.400 0.020 0.000 1.996 138 K HA -0.001 4.319 4.320 0.000 0.000 0.216 138 K C 1.633 178.257 176.600 0.040 0.000 1.022 138 K CA 1.257 57.564 56.287 0.033 0.000 1.007 138 K CB -0.342 32.191 32.500 0.054 0.000 0.946 138 K HN 0.471 nan 8.250 nan 0.000 0.447 139 V N 1.556 121.507 119.914 0.063 0.000 2.231 139 V HA -0.267 3.853 4.120 0.000 0.000 0.250 139 V C 2.591 178.705 176.094 0.034 0.000 1.058 139 V CA 2.108 64.450 62.300 0.069 0.000 1.022 139 V CB -0.825 31.046 31.823 0.080 0.000 0.640 139 V HN 0.169 nan 8.190 nan 0.000 0.445 140 V N 0.600 120.509 119.914 -0.009 0.000 2.317 140 V HA -0.371 3.749 4.120 0.000 0.000 0.251 140 V C 2.264 178.104 176.094 -0.423 0.000 1.065 140 V CA 2.746 64.955 62.300 -0.153 0.000 1.049 140 V CB -0.703 31.044 31.823 -0.126 0.000 0.651 140 V HN 0.739 nan 8.190 nan 0.000 0.450 141 D N -1.560 118.677 120.400 -0.271 0.000 2.259 141 D HA -0.025 4.615 4.640 0.000 0.000 0.216 141 D C 1.865 178.139 176.300 -0.043 0.000 0.961 141 D CA 0.620 54.473 54.000 -0.245 0.000 0.878 141 D CB 0.224 40.924 40.800 -0.168 0.000 1.009 141 D HN 0.330 nan 8.370 nan 0.000 0.490 142 L N 0.013 121.250 121.223 0.023 0.000 2.046 142 L HA 0.048 4.388 4.340 0.000 0.000 0.203 142 L C 2.055 179.151 176.870 0.377 0.000 1.111 142 L CA 0.423 55.353 54.840 0.151 0.000 0.769 142 L CB -0.650 41.433 42.059 0.039 0.000 0.914 142 L HN 0.088 nan 8.230 nan 0.000 0.448 143 L N 0.833 122.201 121.223 0.241 0.000 1.952 143 L HA -0.187 4.154 4.340 0.000 0.000 0.231 143 L C 1.180 178.140 176.870 0.149 0.000 1.088 143 L CA 2.244 57.196 54.840 0.186 0.000 0.802 143 L CB -1.262 40.870 42.059 0.121 0.000 0.903 143 L HN 0.455 nan 8.230 nan 0.000 0.439 144 A N 2.175 125.077 122.820 0.137 0.000 2.910 144 A HA 0.416 4.736 4.320 0.000 0.000 0.316 144 A C -2.164 175.541 177.584 0.202 0.000 1.493 144 A CA -1.530 50.609 52.037 0.171 0.000 1.150 144 A CB -0.534 18.593 19.000 0.211 0.000 1.159 144 A HN 0.322 nan 8.150 nan 0.000 0.526 145 P HA 0.033 nan 4.420 nan 0.000 0.270 145 P C -0.792 176.737 177.300 0.382 0.000 1.221 145 P CA 0.541 63.747 63.100 0.176 0.000 0.788 145 P CB 0.651 32.435 31.700 0.140 0.000 0.904 146 Y N -0.277 120.051 120.300 0.047 0.000 2.772 146 Y HA 0.761 5.311 4.550 0.000 0.000 0.324 146 Y C 0.684 176.594 175.900 0.016 0.000 1.169 146 Y CA -1.542 56.572 58.100 0.023 0.000 1.198 146 Y CB 0.908 39.373 38.460 0.009 0.000 1.402 146 Y HN 0.658 nan 8.280 nan 0.000 0.577 147 A N 0.095 123.014 122.820 0.165 0.000 2.544 147 A HA 0.558 4.878 4.320 0.000 0.000 0.291 147 A C -1.631 175.975 177.584 0.036 0.000 1.055 147 A CA -1.115 50.972 52.037 0.083 0.000 0.651 147 A CB 0.739 19.774 19.000 0.058 0.000 1.296 147 A HN 0.428 nan 8.150 nan 0.000 0.431 148 K N 0.823 121.241 120.400 0.030 0.000 2.436 148 K HA 0.445 4.765 4.320 0.000 0.000 0.282 148 K C 1.289 177.886 176.600 -0.005 0.000 1.044 148 K CA 1.723 58.020 56.287 0.016 0.000 1.028 148 K CB 0.017 32.531 32.500 0.023 0.000 0.919 148 K HN 2.113 nan 8.250 nan 0.000 0.474 149 G N 2.002 110.789 108.800 -0.021 0.000 2.245 149 G HA2 -0.270 3.690 3.960 0.000 0.000 0.264 149 G HA3 -0.270 3.690 3.960 0.000 0.000 0.264 149 G C 0.624 175.494 174.900 -0.050 0.000 0.985 149 G CA 0.080 45.161 45.100 -0.032 0.000 0.625 149 G HN 0.905 nan 8.290 nan 0.000 0.536 150 G N 0.204 108.973 108.800 -0.052 0.000 2.491 150 G HA2 0.474 4.435 3.960 0.000 0.000 0.242 150 G HA3 0.474 4.435 3.960 0.000 0.000 0.242 150 G C 0.074 174.896 174.900 -0.130 0.000 1.266 150 G CA 0.014 45.073 45.100 -0.069 0.000 0.844 150 G HN 0.509 nan 8.290 nan 0.000 0.571 151 K N 0.680 121.004 120.400 -0.126 0.000 2.172 151 K HA 0.393 4.713 4.320 0.000 0.000 0.276 151 K C -0.682 175.762 176.600 -0.261 0.000 1.013 151 K CA -0.570 55.613 56.287 -0.173 0.000 0.913 151 K CB 1.742 34.183 32.500 -0.099 0.000 1.055 151 K HN 0.188 nan 8.250 nan 0.000 0.461 152 I N 1.053 121.407 120.570 -0.360 0.000 2.498 152 I HA 0.385 4.555 4.170 0.000 0.000 0.301 152 I C 0.417 176.346 176.117 -0.313 0.000 0.984 152 I CA -0.223 60.785 61.300 -0.488 0.000 1.204 152 I CB 1.924 39.529 38.000 -0.659 0.000 1.362 152 I HN 0.697 nan 8.210 nan 0.000 0.471 153 G N 5.998 114.650 108.800 -0.247 0.000 2.739 153 G HA2 0.652 4.612 3.960 0.000 0.000 0.291 153 G HA3 0.652 4.612 3.960 0.000 0.000 0.291 153 G C -1.419 173.325 174.900 -0.259 0.000 1.478 153 G CA -0.496 44.428 45.100 -0.292 0.000 1.062 153 G HN 0.413 nan 8.290 nan 0.000 0.532 154 L N 1.970 122.983 121.223 -0.350 0.000 2.298 154 L HA 0.498 4.838 4.340 0.000 0.000 0.284 154 L C -0.922 175.732 176.870 -0.359 0.000 1.013 154 L CA -0.722 54.008 54.840 -0.183 0.000 0.824 154 L CB 1.476 43.499 42.059 -0.061 0.000 1.221 154 L HN 0.366 nan 8.230 nan 0.000 0.418 155 F N 1.688 121.593 119.950 -0.076 0.000 2.350 155 F HA 0.555 5.082 4.527 0.000 0.000 0.365 155 F C 1.016 176.803 175.800 -0.021 0.000 1.122 155 F CA -0.366 57.570 58.000 -0.106 0.000 1.139 155 F CB 1.572 40.493 39.000 -0.132 0.000 1.220 155 F HN 0.446 nan 8.300 nan 0.000 0.499 156 G N 1.174 110.025 108.800 0.086 0.000 2.452 156 G HA2 0.473 4.433 3.960 0.000 0.000 0.324 156 G HA3 0.473 4.433 3.960 0.000 0.000 0.324 156 G C 0.180 175.157 174.900 0.129 0.000 1.214 156 G CA -0.918 44.257 45.100 0.126 0.000 0.947 156 G HN 0.791 nan 8.290 nan 0.000 0.478 157 G N 0.228 109.100 108.800 0.120 0.000 3.709 157 G HA2 0.573 4.533 3.960 0.000 0.000 0.272 157 G HA3 0.573 4.533 3.960 0.000 0.000 0.272 157 G C 0.843 175.866 174.900 0.205 0.000 1.259 157 G CA 0.763 45.913 45.100 0.083 0.000 1.512 157 G HN 2.064 nan 8.290 nan 0.000 0.625 158 A N -0.336 122.726 122.820 0.404 0.000 2.331 158 A HA 0.453 4.773 4.320 0.000 0.000 0.274 158 A C 1.242 178.956 177.584 0.217 0.000 1.395 158 A CA 0.754 53.045 52.037 0.422 0.000 0.721 158 A CB -1.282 18.030 19.000 0.521 0.000 1.160 158 A HN 2.565 nan 8.150 nan 0.000 0.345 159 G N -0.756 108.146 108.800 0.170 0.000 2.638 159 G HA2 0.223 4.183 3.960 0.000 0.000 0.269 159 G HA3 0.223 4.183 3.960 0.000 0.000 0.269 159 G C 0.892 175.888 174.900 0.159 0.000 1.141 159 G CA 0.692 45.873 45.100 0.136 0.000 1.081 159 G HN 2.483 nan 8.290 nan 0.000 0.527 160 V N -2.627 117.398 119.914 0.185 0.000 3.392 160 V HA 0.737 4.857 4.120 0.000 0.000 0.294 160 V C 1.317 177.619 176.094 0.347 0.000 1.561 160 V CA 0.971 63.419 62.300 0.248 0.000 1.056 160 V CB 0.462 32.388 31.823 0.171 0.000 0.882 160 V HN 2.394 nan 8.190 nan 0.000 0.440 161 G N 1.186 110.134 108.800 0.246 0.000 2.186 161 G HA2 -0.172 3.788 3.960 0.000 0.000 0.130 161 G HA3 -0.172 3.788 3.960 0.000 0.000 0.130 161 G C 0.417 175.442 174.900 0.209 0.000 1.031 161 G CA 0.360 45.616 45.100 0.260 0.000 0.697 161 G HN 0.485 nan 8.290 nan 0.000 0.494 162 K N -0.656 119.837 120.400 0.156 0.000 2.078 162 K HA 0.078 4.398 4.320 0.000 0.000 0.203 162 K C 2.392 179.059 176.600 0.113 0.000 1.043 162 K CA 1.433 57.787 56.287 0.113 0.000 0.960 162 K CB 0.022 32.565 32.500 0.072 0.000 0.761 162 K HN 0.201 nan 8.250 nan 0.000 0.448 163 T N 1.000 115.626 114.554 0.119 0.000 2.942 163 T HA -0.053 4.297 4.350 0.000 0.000 0.265 163 T C 1.806 176.604 174.700 0.162 0.000 1.062 163 T CA 0.645 62.829 62.100 0.141 0.000 1.139 163 T CB 0.069 69.022 68.868 0.142 0.000 0.883 163 T HN -0.051 nan 8.240 nan 0.000 0.468 164 V N 1.994 122.005 119.914 0.162 0.000 2.255 164 V HA -0.148 3.972 4.120 0.000 0.000 0.247 164 V C 2.420 178.628 176.094 0.190 0.000 1.051 164 V CA 1.509 63.920 62.300 0.186 0.000 1.018 164 V CB -0.604 31.334 31.823 0.191 0.000 0.641 164 V HN 0.366 nan 8.190 nan 0.000 0.445 165 L N -0.080 121.257 121.223 0.191 0.000 2.043 165 L HA -0.214 4.126 4.340 0.000 0.000 0.212 165 L C 2.137 179.065 176.870 0.096 0.000 1.075 165 L CA 2.036 56.947 54.840 0.117 0.000 0.752 165 L CB -0.775 41.377 42.059 0.154 0.000 0.891 165 L HN 0.303 nan 8.230 nan 0.000 0.432 166 I N -1.326 119.339 120.570 0.159 0.000 2.286 166 I HA -0.314 3.856 4.170 0.000 0.000 0.248 166 I C 2.167 178.425 176.117 0.235 0.000 1.115 166 I CA 1.059 62.508 61.300 0.247 0.000 1.392 166 I CB 0.004 38.172 38.000 0.280 0.000 1.065 166 I HN 0.316 nan 8.210 nan 0.000 0.418 167 M N -0.057 119.638 119.600 0.159 0.000 2.213 167 M HA -0.219 4.261 4.480 0.000 0.000 0.263 167 M C 2.090 178.416 176.300 0.042 0.000 1.062 167 M CA 1.663 57.013 55.300 0.084 0.000 1.105 167 M CB -1.306 31.346 32.600 0.086 0.000 1.385 167 M HN 0.371 nan 8.290 nan 0.000 0.417 168 E N 0.874 121.091 120.200 0.027 0.000 2.046 168 E HA -0.146 4.204 4.350 0.000 0.000 0.190 168 E C 1.965 178.542 176.600 -0.038 0.000 0.982 168 E CA 1.020 57.374 56.400 -0.076 0.000 0.800 168 E CB -0.366 29.142 29.700 -0.319 0.000 0.756 168 E HN 0.450 nan 8.360 nan 0.000 0.449 169 L N 0.676 121.931 121.223 0.052 0.000 2.265 169 L HA -0.110 4.230 4.340 0.000 0.000 0.215 169 L C 2.390 179.386 176.870 0.210 0.000 1.117 169 L CA 0.807 55.737 54.840 0.151 0.000 0.782 169 L CB -0.281 41.937 42.059 0.266 0.000 0.914 169 L HN 0.270 nan 8.230 nan 0.000 0.441 170 I N -0.547 120.098 120.570 0.126 0.000 2.233 170 I HA -0.250 3.920 4.170 0.000 0.000 0.243 170 I C 2.309 178.429 176.117 0.005 0.000 1.093 170 I CA 1.020 62.300 61.300 -0.034 0.000 1.380 170 I CB -0.295 37.578 38.000 -0.213 0.000 1.067 170 I HN 0.313 nan 8.210 nan 0.000 0.413 171 N N 1.545 120.247 118.700 0.003 0.000 1.997 171 N HA -0.306 4.434 4.740 0.000 0.000 0.198 171 N C 1.680 177.201 175.510 0.020 0.000 1.063 171 N CA 2.442 55.495 53.050 0.005 0.000 0.860 171 N CB -0.340 38.146 38.487 -0.002 0.000 1.063 171 N HN 0.190 nan 8.380 nan 0.000 0.424 172 N N -0.966 117.743 118.700 0.014 0.000 2.120 172 N HA -0.095 4.645 4.740 0.000 0.000 0.188 172 N C 1.382 176.925 175.510 0.054 0.000 1.024 172 N CA 1.763 54.827 53.050 0.023 0.000 0.852 172 N CB -0.087 38.400 38.487 0.001 0.000 1.003 172 N HN 0.217 nan 8.380 nan 0.000 0.424 173 V N 0.085 120.049 119.914 0.084 0.000 2.403 173 V HA 0.190 4.310 4.120 0.000 0.000 0.239 173 V C 2.391 178.575 176.094 0.149 0.000 1.041 173 V CA 1.239 63.612 62.300 0.121 0.000 1.051 173 V CB -1.315 30.595 31.823 0.146 0.000 0.704 173 V HN 0.400 nan 8.190 nan 0.000 0.472 174 A N 0.810 123.720 122.820 0.150 0.000 1.859 174 A HA -0.304 4.016 4.320 0.000 0.000 0.218 174 A C 2.233 179.897 177.584 0.133 0.000 1.209 174 A CA 2.618 54.728 52.037 0.121 0.000 0.639 174 A CB -0.693 18.289 19.000 -0.031 0.000 0.835 174 A HN 0.553 nan 8.150 nan 0.000 0.450 175 K N -0.625 119.820 120.400 0.075 0.000 1.988 175 K HA -0.183 4.137 4.320 0.000 0.000 0.221 175 K C 2.181 178.833 176.600 0.086 0.000 1.053 175 K CA 1.500 57.825 56.287 0.063 0.000 0.959 175 K CB -0.551 31.971 32.500 0.036 0.000 0.728 175 K HN 0.458 nan 8.250 nan 0.000 0.447 176 A N 1.705 124.574 122.820 0.083 0.000 2.234 176 A HA -0.144 4.177 4.320 0.000 0.000 0.216 176 A C 0.714 178.360 177.584 0.104 0.000 1.167 176 A CA 0.704 52.785 52.037 0.074 0.000 0.698 176 A CB -0.933 18.104 19.000 0.061 0.000 0.779 176 A HN 0.420 nan 8.150 nan 0.000 0.475 177 H N -0.101 118.992 119.070 0.039 0.000 2.848 177 H HA 0.432 4.988 4.556 0.000 0.000 0.341 177 H C 0.652 175.990 175.328 0.016 0.000 1.060 177 H CA 0.418 56.490 56.048 0.040 0.000 1.444 177 H CB 0.595 30.402 29.762 0.074 0.000 1.446 177 H HN 0.134 nan 8.280 nan 0.000 0.583 178 G N 2.646 111.127 108.800 -0.531 0.000 2.343 178 G HA2 0.553 4.513 3.960 0.000 0.000 0.319 178 G HA3 0.553 4.513 3.960 0.000 0.000 0.319 178 G C -0.314 174.127 174.900 -0.766 0.000 1.126 178 G CA 0.059 44.891 45.100 -0.446 0.000 0.889 178 G HN 1.021 nan 8.290 nan 0.000 0.457 179 G N 0.470 108.958 108.800 -0.520 0.000 2.479 179 G HA2 0.119 4.079 3.960 0.000 0.000 0.686 179 G HA3 0.119 4.079 3.960 0.000 0.000 0.686 179 G C -0.975 173.796 174.900 -0.216 0.000 1.295 179 G CA -1.035 43.779 45.100 -0.477 0.000 0.922 179 G HN 0.651 nan 8.290 nan 0.000 0.582 180 Y N -0.001 120.264 120.300 -0.058 0.000 2.316 180 Y HA 0.790 5.340 4.550 0.000 0.000 0.324 180 Y C 1.067 177.020 175.900 0.088 0.000 1.267 180 Y CA -0.639 57.403 58.100 -0.097 0.000 1.311 180 Y CB 1.767 39.908 38.460 -0.531 0.000 1.267 180 Y HN 0.889 nan 8.280 nan 0.000 0.516 181 S N 0.303 116.160 115.700 0.261 0.000 2.599 181 S HA 0.895 5.365 4.470 0.000 0.000 0.294 181 S C -1.563 173.174 174.600 0.229 0.000 1.094 181 S CA -0.493 57.853 58.200 0.242 0.000 0.931 181 S CB 1.086 64.423 63.200 0.228 0.000 1.093 181 S HN 0.377 nan 8.310 nan 0.000 0.488 182 V N 2.766 122.853 119.914 0.287 0.000 3.040 182 V HA 0.729 4.849 4.120 0.000 0.000 0.312 182 V C -1.517 174.789 176.094 0.353 0.000 1.115 182 V CA -0.743 61.724 62.300 0.278 0.000 0.998 182 V CB 1.915 33.884 31.823 0.244 0.000 1.042 182 V HN 0.866 nan 8.190 nan 0.000 0.433 183 F N 2.464 122.472 119.950 0.096 0.000 2.831 183 F HA 0.765 5.292 4.527 0.000 0.000 0.346 183 F C -0.064 175.682 175.800 -0.090 0.000 1.224 183 F CA -0.633 57.398 58.000 0.051 0.000 1.048 183 F CB 1.035 40.040 39.000 0.009 0.000 1.339 183 F HN 0.606 nan 8.300 nan 0.000 0.514 184 A N 3.971 126.685 122.820 -0.177 0.000 2.252 184 A HA 0.665 4.985 4.320 0.000 0.000 0.309 184 A C 0.266 177.570 177.584 -0.467 0.000 1.285 184 A CA -0.079 51.808 52.037 -0.249 0.000 0.900 184 A CB 0.071 18.953 19.000 -0.196 0.000 1.157 184 A HN 1.072 nan 8.150 nan 0.000 0.536 185 G N 1.768 110.232 108.800 -0.560 0.000 2.428 185 G HA2 0.504 4.464 3.960 0.000 0.000 0.320 185 G HA3 0.504 4.464 3.960 0.000 0.000 0.320 185 G C -0.618 174.148 174.900 -0.222 0.000 1.098 185 G CA -0.201 44.667 45.100 -0.386 0.000 0.984 185 G HN 0.671 nan 8.290 nan 0.000 0.444 186 V N 3.195 123.030 119.914 -0.131 0.000 2.370 186 V HA 0.758 4.878 4.120 0.000 0.000 0.283 186 V C 1.238 177.331 176.094 -0.003 0.000 1.023 186 V CA 0.778 63.046 62.300 -0.053 0.000 0.857 186 V CB 0.365 32.160 31.823 -0.046 0.000 0.985 186 V HN 1.338 nan 8.190 nan 0.000 0.443 187 G N 4.861 113.669 108.800 0.013 0.000 4.886 187 G HA2 -0.279 3.681 3.960 0.000 0.000 0.305 187 G HA3 -0.279 3.681 3.960 0.000 0.000 0.305 187 G C 0.282 175.204 174.900 0.038 0.000 1.483 187 G CA 0.380 45.489 45.100 0.016 0.000 1.029 187 G HN 0.764 nan 8.290 nan 0.000 0.746 188 E N 1.691 121.915 120.200 0.040 0.000 2.765 188 E HA 0.157 4.507 4.350 0.000 0.000 0.289 188 E C 1.183 177.839 176.600 0.093 0.000 1.092 188 E CA 0.850 57.285 56.400 0.058 0.000 1.044 188 E CB 0.114 29.862 29.700 0.079 0.000 1.098 188 E HN 0.671 nan 8.360 nan 0.000 0.467 189 R N 0.192 120.742 120.500 0.085 0.000 2.644 189 R HA -0.069 4.271 4.340 0.000 0.000 0.265 189 R C 1.385 177.753 176.300 0.115 0.000 0.985 189 R CA 1.069 57.220 56.100 0.085 0.000 1.097 189 R CB -0.086 30.258 30.300 0.074 0.000 0.931 189 R HN 0.467 nan 8.270 nan 0.000 0.419 190 T N 1.201 115.803 114.554 0.080 0.000 3.035 190 T HA -0.006 4.344 4.350 0.000 0.000 0.259 190 T C 1.669 176.389 174.700 0.034 0.000 1.078 190 T CA 0.442 62.577 62.100 0.059 0.000 1.132 190 T CB -0.037 68.851 68.868 0.034 0.000 0.900 190 T HN 0.435 nan 8.240 nan 0.000 0.480 191 R N 1.818 122.343 120.500 0.041 0.000 2.097 191 R HA -0.188 4.152 4.340 0.000 0.000 0.236 191 R C 2.290 178.613 176.300 0.038 0.000 1.135 191 R CA 2.364 58.483 56.100 0.032 0.000 0.934 191 R CB -0.301 30.020 30.300 0.034 0.000 0.846 191 R HN 0.639 nan 8.270 nan 0.000 0.431 192 E N -0.691 119.547 120.200 0.063 0.000 2.097 192 E HA -0.156 4.194 4.350 0.000 0.000 0.196 192 E C 2.000 178.627 176.600 0.046 0.000 1.000 192 E CA 1.415 57.858 56.400 0.072 0.000 0.804 192 E CB -0.794 28.976 29.700 0.117 0.000 0.740 192 E HN 0.515 nan 8.360 nan 0.000 0.454 193 G N 1.262 110.097 108.800 0.058 0.000 2.442 193 G HA2 -0.414 3.546 3.960 0.000 0.000 0.219 193 G HA3 -0.414 3.546 3.960 0.000 0.000 0.219 193 G C 1.479 176.262 174.900 -0.195 0.000 1.141 193 G CA 1.130 46.166 45.100 -0.108 0.000 0.763 193 G HN 0.427 nan 8.290 nan 0.000 0.554 194 N N 0.830 119.490 118.700 -0.067 0.000 2.028 194 N HA -0.095 4.645 4.740 0.000 0.000 0.194 194 N C 1.755 177.356 175.510 0.152 0.000 1.050 194 N CA 1.985 55.072 53.050 0.062 0.000 0.848 194 N CB -0.388 38.140 38.487 0.069 0.000 1.038 194 N HN 0.256 nan 8.380 nan 0.000 0.423 195 D N -0.230 120.217 120.400 0.079 0.000 2.106 195 D HA -0.169 4.471 4.640 0.000 0.000 0.191 195 D C 1.876 178.209 176.300 0.055 0.000 0.997 195 D CA 1.175 55.217 54.000 0.070 0.000 0.834 195 D CB -0.416 40.401 40.800 0.029 0.000 0.956 195 D HN 0.265 nan 8.370 nan 0.000 0.448 196 L N -0.136 121.083 121.223 -0.006 0.000 2.129 196 L HA -0.228 4.112 4.340 0.000 0.000 0.212 196 L C 1.967 178.817 176.870 -0.034 0.000 1.087 196 L CA 1.592 56.383 54.840 -0.082 0.000 0.757 196 L CB -0.662 41.261 42.059 -0.227 0.000 0.896 196 L HN 0.129 nan 8.230 nan 0.000 0.434 197 Y N 0.357 120.552 120.300 -0.175 0.000 2.084 197 Y HA -0.252 4.298 4.550 0.000 0.000 0.279 197 Y C 2.670 178.445 175.900 -0.208 0.000 1.119 197 Y CA 2.240 60.202 58.100 -0.229 0.000 1.101 197 Y CB -1.125 37.157 38.460 -0.297 0.000 0.989 197 Y HN 0.408 nan 8.280 nan 0.000 0.484 198 H N 0.011 119.026 119.070 -0.092 0.000 2.518 198 H HA -0.083 4.473 4.556 0.000 0.000 0.292 198 H C 2.030 177.279 175.328 -0.132 0.000 1.068 198 H CA 1.591 57.512 56.048 -0.212 0.000 1.275 198 H CB 0.080 29.744 29.762 -0.163 0.000 1.375 198 H HN 0.522 nan 8.280 nan 0.000 0.563 199 E N -0.193 120.016 120.200 0.015 0.000 2.122 199 E HA -0.053 4.297 4.350 0.000 0.000 0.190 199 E C 1.592 178.170 176.600 -0.036 0.000 0.977 199 E CA 0.387 56.782 56.400 -0.009 0.000 0.820 199 E CB 0.086 29.780 29.700 -0.009 0.000 0.770 199 E HN 0.496 nan 8.360 nan 0.000 0.462 200 M N 0.492 120.063 119.600 -0.049 0.000 2.630 200 M HA -0.063 4.417 4.480 0.000 0.000 0.254 200 M C 1.482 177.741 176.300 -0.069 0.000 1.092 200 M CA 0.586 55.856 55.300 -0.049 0.000 1.087 200 M CB 0.207 32.791 32.600 -0.027 0.000 1.453 200 M HN 0.131 nan 8.290 nan 0.000 0.509 201 I N -0.865 119.633 120.570 -0.119 0.000 2.729 201 I HA -0.088 4.082 4.170 0.000 0.000 0.256 201 I C 2.147 178.216 176.117 -0.080 0.000 1.115 201 I CA 0.976 62.190 61.300 -0.143 0.000 1.446 201 I CB -1.160 36.689 38.000 -0.253 0.000 1.176 201 I HN 0.182 nan 8.210 nan 0.000 0.446 202 E N 1.447 121.611 120.200 -0.059 0.000 2.130 202 E HA -0.183 4.167 4.350 0.000 0.000 0.196 202 E C 1.452 178.035 176.600 -0.029 0.000 0.998 202 E CA 1.499 57.878 56.400 -0.035 0.000 0.806 202 E CB 0.042 29.729 29.700 -0.021 0.000 0.738 202 E HN 0.174 nan 8.360 nan 0.000 0.459 203 S N -1.107 114.575 115.700 -0.029 0.000 2.573 203 S HA 0.319 4.789 4.470 0.000 0.000 0.244 203 S C 1.052 175.640 174.600 -0.020 0.000 0.984 203 S CA 0.242 58.430 58.200 -0.021 0.000 1.001 203 S CB 0.412 63.602 63.200 -0.017 0.000 0.788 203 S HN 0.580 nan 8.310 nan 0.000 0.456 204 G N 1.257 110.041 108.800 -0.027 0.000 2.587 204 G HA2 -0.412 3.548 3.960 0.000 0.000 0.246 204 G HA3 -0.412 3.548 3.960 0.000 0.000 0.246 204 G C 1.154 176.043 174.900 -0.017 0.000 1.058 204 G CA 0.919 46.005 45.100 -0.023 0.000 0.658 204 G HN 0.469 nan 8.290 nan 0.000 0.538 205 V N 0.618 120.525 119.914 -0.012 0.000 2.313 205 V HA -0.242 3.878 4.120 0.000 0.000 0.261 205 V C 1.625 177.717 176.094 -0.002 0.000 1.096 205 V CA 2.395 64.693 62.300 -0.003 0.000 1.090 205 V CB -0.321 31.495 31.823 -0.012 0.000 0.683 205 V HN 0.591 nan 8.190 nan 0.000 0.452 206 I N 0.262 120.825 120.570 -0.012 0.000 2.418 206 I HA 0.362 4.532 4.170 0.000 0.000 0.287 206 I C -0.378 175.720 176.117 -0.030 0.000 1.008 206 I CA -0.308 60.990 61.300 -0.004 0.000 1.104 206 I CB 1.585 39.604 38.000 0.031 0.000 1.264 206 I HN 0.225 nan 8.210 nan 0.000 0.438 207 N N 6.465 125.152 118.700 -0.023 0.000 2.314 207 N HA 0.440 5.181 4.740 0.000 0.000 0.294 207 N C -0.145 175.348 175.510 -0.027 0.000 1.029 207 N CA -0.659 52.373 53.050 -0.031 0.000 0.845 207 N CB 1.634 40.109 38.487 -0.020 0.000 1.321 207 N HN 0.548 nan 8.380 nan 0.000 0.481 208 L N 1.586 122.786 121.223 -0.039 0.000 2.592 208 L HA 0.245 4.585 4.340 0.000 0.000 0.227 208 L C 1.409 178.267 176.870 -0.021 0.000 1.127 208 L CA 0.146 54.968 54.840 -0.029 0.000 0.884 208 L CB -0.228 41.803 42.059 -0.047 0.000 1.065 208 L HN 0.476 nan 8.230 nan 0.000 0.457 209 K N 0.130 120.518 120.400 -0.020 0.000 2.312 209 K HA 0.083 4.403 4.320 0.000 0.000 0.230 209 K C 1.011 177.605 176.600 -0.011 0.000 1.048 209 K CA 0.351 56.629 56.287 -0.015 0.000 0.938 209 K CB -0.511 31.979 32.500 -0.016 0.000 1.139 209 K HN -0.070 nan 8.250 nan 0.000 0.461 210 D N 0.056 120.450 120.400 -0.009 0.000 1.922 210 D HA -0.085 4.555 4.640 0.000 0.000 0.271 210 D C -0.281 176.016 176.300 -0.004 0.000 1.182 210 D CA 2.494 56.491 54.000 -0.005 0.000 1.033 210 D CB 0.127 40.925 40.800 -0.003 0.000 1.642 210 D HN 0.372 nan 8.370 nan 0.000 0.576 211 A N -1.851 120.968 122.820 -0.003 0.000 2.089 211 A HA 0.209 4.529 4.320 0.000 0.000 0.232 211 A C -0.177 177.409 177.584 0.004 0.000 2.448 211 A CA -0.066 51.969 52.037 -0.003 0.000 1.981 211 A CB -0.635 18.366 19.000 0.001 0.000 0.555 211 A HN 0.205 nan 8.150 nan 0.000 0.915 212 T N 0.479 115.034 114.554 0.003 0.000 3.308 212 T HA 0.324 4.674 4.350 0.000 0.000 0.270 212 T C 0.336 175.042 174.700 0.010 0.000 0.992 212 T CA 0.152 62.260 62.100 0.013 0.000 0.931 212 T CB 0.136 69.010 68.868 0.010 0.000 1.142 212 T HN 0.368 nan 8.240 nan 0.000 0.525 213 S N 2.227 117.921 115.700 -0.009 0.000 2.508 213 S HA 0.347 4.817 4.470 0.000 0.000 0.284 213 S C 1.019 175.590 174.600 -0.048 0.000 1.192 213 S CA -0.965 57.222 58.200 -0.023 0.000 1.070 213 S CB 1.294 64.473 63.200 -0.036 0.000 1.004 213 S HN 0.319 nan 8.310 nan 0.000 0.493 214 K N 0.772 121.170 120.400 -0.003 0.000 2.399 214 K HA 0.162 4.482 4.320 0.000 0.000 0.196 214 K C 0.822 177.429 176.600 0.011 0.000 1.117 214 K CA 0.408 56.729 56.287 0.056 0.000 0.965 214 K CB -0.466 32.134 32.500 0.166 0.000 0.983 214 K HN 0.542 nan 8.250 nan 0.000 0.531 215 V N -0.225 119.699 119.914 0.017 0.000 2.863 215 V HA 0.810 4.930 4.120 0.000 0.000 0.307 215 V C -0.268 175.847 176.094 0.035 0.000 1.061 215 V CA -0.957 61.371 62.300 0.047 0.000 1.024 215 V CB 1.364 33.212 31.823 0.043 0.000 1.049 215 V HN 0.194 nan 8.190 nan 0.000 0.471 216 A N 4.541 127.422 122.820 0.103 0.000 2.374 216 A HA 0.809 5.130 4.320 0.000 0.000 0.305 216 A C -0.826 176.847 177.584 0.148 0.000 1.053 216 A CA -0.731 51.377 52.037 0.118 0.000 0.726 216 A CB 1.224 20.346 19.000 0.203 0.000 1.229 216 A HN 0.967 nan 8.150 nan 0.000 0.431 217 L N 3.318 124.614 121.223 0.121 0.000 2.276 217 L HA 0.493 4.833 4.340 0.000 0.000 0.286 217 L C -0.870 176.141 176.870 0.235 0.000 1.024 217 L CA -0.777 54.190 54.840 0.212 0.000 0.826 217 L CB 1.425 43.579 42.059 0.158 0.000 1.211 217 L HN 0.429 nan 8.230 nan 0.000 0.422 218 V N 3.745 123.779 119.914 0.200 0.000 2.417 218 V HA 0.476 4.596 4.120 0.000 0.000 0.291 218 V C -0.873 175.241 176.094 0.033 0.000 1.024 218 V CA -0.519 61.856 62.300 0.124 0.000 0.861 218 V CB 1.688 33.532 31.823 0.035 0.000 0.985 218 V HN 0.410 nan 8.190 nan 0.000 0.436 219 Y N 1.472 121.792 120.300 0.034 0.000 2.545 219 Y HA 0.824 5.374 4.550 0.000 0.000 0.348 219 Y C 0.474 176.388 175.900 0.023 0.000 1.002 219 Y CA -0.862 57.264 58.100 0.043 0.000 1.039 219 Y CB 2.820 41.293 38.460 0.021 0.000 1.271 219 Y HN 0.707 nan 8.280 nan 0.000 0.467 220 G N 2.345 111.232 108.800 0.145 0.000 1.980 220 G HA2 0.485 4.445 3.960 0.000 0.000 0.298 220 G HA3 0.485 4.445 3.960 0.000 0.000 0.298 220 G C -1.631 173.319 174.900 0.084 0.000 1.505 220 G CA -0.613 44.542 45.100 0.091 0.000 1.158 220 G HN 0.465 nan 8.290 nan 0.000 0.557 221 Q N 1.212 121.074 119.800 0.102 0.000 3.156 221 Q HA 0.486 4.826 4.340 0.000 0.000 0.301 221 Q C 1.674 177.705 176.000 0.051 0.000 1.026 221 Q CA -1.224 54.630 55.803 0.085 0.000 0.827 221 Q CB 1.284 30.105 28.738 0.139 0.000 1.490 221 Q HN 0.412 nan 8.270 nan 0.000 0.492 222 M N 1.030 120.656 119.600 0.044 0.000 2.152 222 M HA -0.307 4.173 4.480 0.000 0.000 0.251 222 M C 1.348 177.660 176.300 0.020 0.000 1.080 222 M CA 2.498 57.813 55.300 0.025 0.000 1.079 222 M CB -0.910 31.706 32.600 0.026 0.000 1.317 222 M HN 0.661 nan 8.290 nan 0.000 0.404 223 N N 0.365 119.081 118.700 0.027 0.000 2.567 223 N HA -0.011 4.729 4.740 0.000 0.000 0.195 223 N C -0.349 175.171 175.510 0.017 0.000 1.242 223 N CA 0.373 53.434 53.050 0.020 0.000 0.884 223 N CB -0.045 38.454 38.487 0.021 0.000 1.007 223 N HN 0.450 nan 8.380 nan 0.000 0.450 224 E N -0.548 119.662 120.200 0.017 0.000 2.299 224 E HA 0.414 4.764 4.350 0.000 0.000 0.260 224 E C -2.601 174.002 176.600 0.004 0.000 0.944 224 E CA -2.477 53.931 56.400 0.013 0.000 0.815 224 E CB 1.062 30.774 29.700 0.021 0.000 1.252 224 E HN 0.063 nan 8.360 nan 0.000 0.418 225 P HA 0.033 nan 4.420 nan 0.000 0.273 225 P C -1.944 175.348 177.300 -0.013 0.000 1.250 225 P CA -0.916 62.180 63.100 -0.006 0.000 0.793 225 P CB 0.233 31.931 31.700 -0.003 0.000 1.011 226 P HA -0.108 nan 4.420 nan 0.000 0.222 226 P C 1.417 178.698 177.300 -0.031 0.000 1.153 226 P CA 1.514 64.588 63.100 -0.043 0.000 0.798 226 P CB -0.427 31.234 31.700 -0.064 0.000 0.796 227 G N 0.565 109.356 108.800 -0.016 0.000 2.462 227 G HA2 -0.207 3.753 3.960 0.000 0.000 0.220 227 G HA3 -0.207 3.753 3.960 0.000 0.000 0.220 227 G C 1.716 176.625 174.900 0.014 0.000 1.121 227 G CA 0.953 46.054 45.100 0.001 0.000 0.758 227 G HN 0.385 nan 8.290 nan 0.000 0.559 228 A N 0.730 123.556 122.820 0.009 0.000 1.878 228 A HA 0.173 4.493 4.320 0.000 0.000 0.213 228 A C 2.368 179.963 177.584 0.018 0.000 1.192 228 A CA 1.099 53.146 52.037 0.017 0.000 0.619 228 A CB -0.235 18.775 19.000 0.016 0.000 0.837 228 A HN 0.290 nan 8.150 nan 0.000 0.446 229 R N -0.103 120.400 120.500 0.006 0.000 2.285 229 R HA 0.060 4.400 4.340 0.000 0.000 0.213 229 R C 2.078 178.395 176.300 0.028 0.000 1.068 229 R CA 0.755 56.858 56.100 0.005 0.000 1.004 229 R CB -0.293 29.996 30.300 -0.019 0.000 0.873 229 R HN 0.519 nan 8.270 nan 0.000 0.467 230 A N 0.874 123.713 122.820 0.031 0.000 1.929 230 A HA -0.070 4.250 4.320 0.000 0.000 0.216 230 A C 1.631 179.342 177.584 0.212 0.000 1.176 230 A CA 0.978 53.062 52.037 0.079 0.000 0.628 230 A CB 0.124 19.136 19.000 0.020 0.000 0.816 230 A HN 0.069 nan 8.150 nan 0.000 0.444 231 R N -1.062 119.504 120.500 0.110 0.000 2.373 231 R HA 0.170 4.510 4.340 0.000 0.000 0.221 231 R C 1.688 177.988 176.300 -0.000 0.000 0.893 231 R CA 0.774 56.913 56.100 0.065 0.000 1.049 231 R CB -1.592 28.729 30.300 0.035 0.000 1.119 231 R HN 0.355 nan 8.270 nan 0.000 0.535 232 V N 1.723 121.641 119.914 0.006 0.000 2.332 232 V HA -0.212 3.908 4.120 0.000 0.000 0.248 232 V C 2.097 178.156 176.094 -0.059 0.000 1.055 232 V CA 2.269 64.556 62.300 -0.022 0.000 1.038 232 V CB -0.468 31.346 31.823 -0.014 0.000 0.651 232 V HN 0.307 nan 8.190 nan 0.000 0.450 233 A N -0.278 122.506 122.820 -0.060 0.000 1.940 233 A HA -0.129 4.191 4.320 0.000 0.000 0.219 233 A C 2.175 179.664 177.584 -0.159 0.000 1.176 233 A CA 2.124 54.090 52.037 -0.119 0.000 0.631 233 A CB -0.544 18.384 19.000 -0.120 0.000 0.814 233 A HN 0.613 nan 8.150 nan 0.000 0.446 234 L N -0.263 120.868 121.223 -0.153 0.000 2.005 234 L HA -0.167 4.173 4.340 0.000 0.000 0.207 234 L C 3.072 179.857 176.870 -0.142 0.000 1.072 234 L CA 1.942 56.672 54.840 -0.184 0.000 0.744 234 L CB -1.399 40.541 42.059 -0.199 0.000 0.895 234 L HN 0.631 nan 8.230 nan 0.000 0.433 235 T N -2.020 112.467 114.554 -0.110 0.000 2.652 235 T HA -0.168 4.182 4.350 0.000 0.000 0.267 235 T C 1.830 176.492 174.700 -0.063 0.000 1.039 235 T CA 1.204 63.256 62.100 -0.081 0.000 1.153 235 T CB -1.236 67.601 68.868 -0.052 0.000 0.863 235 T HN 0.413 nan 8.240 nan 0.000 0.428 236 G N 0.375 109.139 108.800 -0.061 0.000 2.708 236 G HA2 0.170 4.130 3.960 0.000 0.000 0.210 236 G HA3 0.170 4.130 3.960 0.000 0.000 0.210 236 G C 1.282 176.161 174.900 -0.036 0.000 1.141 236 G CA 0.510 45.587 45.100 -0.038 0.000 0.788 236 G HN 0.575 nan 8.290 nan 0.000 0.531 237 L N -1.208 119.975 121.223 -0.065 0.000 2.547 237 L HA 0.164 4.505 4.340 0.000 0.000 0.218 237 L C 2.561 179.405 176.870 -0.044 0.000 1.048 237 L CA 0.766 55.568 54.840 -0.064 0.000 0.859 237 L CB 0.049 42.038 42.059 -0.115 0.000 1.128 237 L HN 0.086 nan 8.230 nan 0.000 0.483 238 T N -0.363 114.154 114.554 -0.061 0.000 2.929 238 T HA -0.108 4.242 4.350 0.000 0.000 0.271 238 T C 1.767 176.440 174.700 -0.045 0.000 1.085 238 T CA 1.272 63.342 62.100 -0.050 0.000 1.125 238 T CB -0.093 68.734 68.868 -0.067 0.000 0.874 238 T HN 0.132 nan 8.240 nan 0.000 0.494 239 V N 1.668 121.553 119.914 -0.048 0.000 2.231 239 V HA -0.062 4.058 4.120 0.000 0.000 0.240 239 V C 2.909 178.989 176.094 -0.025 0.000 1.039 239 V CA 1.608 63.854 62.300 -0.090 0.000 0.998 239 V CB -1.274 30.543 31.823 -0.010 0.000 0.639 239 V HN 0.483 nan 8.190 nan 0.000 0.451 240 A N -0.739 122.152 122.820 0.118 0.000 2.042 240 A HA -0.297 4.023 4.320 0.000 0.000 0.222 240 A C 2.095 179.785 177.584 0.175 0.000 1.167 240 A CA 2.184 54.359 52.037 0.230 0.000 0.649 240 A CB -0.534 18.556 19.000 0.149 0.000 0.809 240 A HN 0.676 nan 8.150 nan 0.000 0.457 241 E N -1.566 118.683 120.200 0.081 0.000 2.001 241 E HA -0.220 4.130 4.350 0.000 0.000 0.195 241 E C 1.914 178.560 176.600 0.075 0.000 1.002 241 E CA 1.511 57.947 56.400 0.060 0.000 0.819 241 E CB -0.468 29.248 29.700 0.026 0.000 0.769 241 E HN 0.778 nan 8.360 nan 0.000 0.454 242 Y N 0.838 121.077 120.300 -0.102 0.000 2.173 242 Y HA -0.309 4.241 4.550 0.000 0.000 0.282 242 Y C 1.985 177.847 175.900 -0.065 0.000 1.192 242 Y CA 1.656 59.669 58.100 -0.146 0.000 1.176 242 Y CB -0.344 37.935 38.460 -0.303 0.000 0.969 242 Y HN -0.016 nan 8.280 nan 0.000 0.519 243 F N 0.239 120.357 119.950 0.280 0.000 2.113 243 F HA -0.110 4.417 4.527 0.000 0.000 0.297 243 F C 2.784 178.617 175.800 0.056 0.000 1.103 243 F CA 1.841 59.974 58.000 0.223 0.000 1.248 243 F CB -1.133 38.054 39.000 0.312 0.000 0.999 243 F HN -0.002 nan 8.300 nan 0.000 0.475 244 R N 0.678 121.317 120.500 0.232 0.000 2.080 244 R HA -0.155 4.185 4.340 0.000 0.000 0.236 244 R C 1.603 177.916 176.300 0.021 0.000 1.137 244 R CA 2.140 58.303 56.100 0.105 0.000 0.943 244 R CB -0.652 29.696 30.300 0.080 0.000 0.846 244 R HN 0.202 nan 8.270 nan 0.000 0.431 245 D N 0.778 121.162 120.400 -0.026 0.000 2.036 245 D HA -0.138 4.502 4.640 0.000 0.000 0.236 245 D C 1.852 178.066 176.300 -0.144 0.000 0.976 245 D CA 1.033 54.987 54.000 -0.076 0.000 0.918 245 D CB -0.787 39.968 40.800 -0.077 0.000 1.094 245 D HN 0.207 nan 8.370 nan 0.000 0.459 246 Q N 0.157 119.792 119.800 -0.275 0.000 2.592 246 Q HA -0.114 4.226 4.340 0.000 0.000 0.219 246 Q C 0.909 176.733 176.000 -0.293 0.000 0.984 246 Q CA 0.918 56.511 55.803 -0.351 0.000 0.911 246 Q CB -0.048 28.332 28.738 -0.596 0.000 0.962 246 Q HN 0.307 nan 8.270 nan 0.000 0.532 247 E N -0.777 119.307 120.200 -0.194 0.000 3.029 247 E HA 0.125 4.475 4.350 0.000 0.000 0.196 247 E C -0.412 176.191 176.600 0.005 0.000 0.973 247 E CA -0.091 56.287 56.400 -0.036 0.000 1.242 247 E CB 0.245 30.017 29.700 0.119 0.000 1.056 247 E HN 0.274 nan 8.360 nan 0.000 0.469 248 G N 3.361 112.146 108.800 -0.024 0.000 2.088 248 G HA2 -0.289 3.671 3.960 0.000 0.000 0.236 248 G HA3 -0.289 3.671 3.960 0.000 0.000 0.236 248 G C 0.031 174.919 174.900 -0.019 0.000 0.582 248 G CA 1.710 46.799 45.100 -0.018 0.000 1.030 248 G HN 0.402 nan 8.290 nan 0.000 0.395 249 Q N 0.492 120.292 119.800 0.001 0.000 2.418 249 Q HA 0.369 4.709 4.340 0.000 0.000 0.282 249 Q C -1.556 174.456 176.000 0.020 0.000 1.044 249 Q CA -1.071 54.716 55.803 -0.026 0.000 0.813 249 Q CB 1.680 30.363 28.738 -0.091 0.000 1.428 249 Q HN 0.148 nan 8.270 nan 0.000 0.402 250 D N 2.848 123.257 120.400 0.015 0.000 2.422 250 D HA 0.254 4.894 4.640 0.000 0.000 0.227 250 D C 0.203 176.602 176.300 0.166 0.000 1.190 250 D CA -0.000 54.044 54.000 0.074 0.000 0.905 250 D CB 0.811 41.653 40.800 0.070 0.000 1.034 250 D HN 0.331 nan 8.370 nan 0.000 0.507 251 V N 1.463 121.472 119.914 0.158 0.000 3.214 251 V HA 0.381 4.501 4.120 0.000 0.000 0.306 251 V C 0.534 176.685 176.094 0.095 0.000 1.078 251 V CA -0.824 61.595 62.300 0.199 0.000 1.077 251 V CB 0.997 32.953 31.823 0.221 0.000 1.121 251 V HN 0.329 nan 8.190 nan 0.000 0.468 252 L N 1.606 122.865 121.223 0.061 0.000 2.370 252 L HA 0.704 5.044 4.340 0.000 0.000 0.266 252 L C -1.194 175.713 176.870 0.063 0.000 1.002 252 L CA -0.459 54.352 54.840 -0.049 0.000 0.818 252 L CB 1.936 43.923 42.059 -0.120 0.000 1.325 252 L HN 0.567 nan 8.230 nan 0.000 0.418 253 L N 2.944 124.119 121.223 -0.080 0.000 2.438 253 L HA 0.597 4.938 4.340 0.000 0.000 0.270 253 L C -1.837 174.919 176.870 -0.190 0.000 0.972 253 L CA -0.124 54.711 54.840 -0.009 0.000 0.831 253 L CB 1.590 43.620 42.059 -0.048 0.000 1.273 253 L HN 0.282 nan 8.230 nan 0.000 0.405 254 F N 6.172 126.024 119.950 -0.163 0.000 2.382 254 F HA 0.549 5.076 4.527 0.000 0.000 0.361 254 F C -0.210 175.205 175.800 -0.640 0.000 1.109 254 F CA -0.498 57.303 58.000 -0.332 0.000 1.031 254 F CB 1.232 40.094 39.000 -0.231 0.000 1.234 254 F HN 0.214 nan 8.300 nan 0.000 0.445 255 I N 3.116 123.467 120.570 -0.366 0.000 2.307 255 I HA 0.155 4.325 4.170 0.000 0.000 0.289 255 I C 0.067 175.959 176.117 -0.374 0.000 1.021 255 I CA -0.313 60.754 61.300 -0.388 0.000 1.224 255 I CB 0.701 38.550 38.000 -0.252 0.000 1.376 255 I HN 0.365 nan 8.210 nan 0.000 0.470 256 D N 7.251 127.380 120.400 -0.452 0.000 2.435 256 D HA 0.125 4.765 4.640 0.000 0.000 0.230 256 D C -0.688 175.557 176.300 -0.091 0.000 1.215 256 D CA -0.021 53.858 54.000 -0.201 0.000 0.947 256 D CB -0.305 40.461 40.800 -0.056 0.000 1.048 256 D HN 0.517 nan 8.370 nan 0.000 0.512 257 N N 2.198 120.857 118.700 -0.067 0.000 2.883 257 N HA -0.218 4.522 4.740 0.000 0.000 0.277 257 N C 0.185 175.725 175.510 0.050 0.000 1.707 257 N CA 0.090 53.154 53.050 0.024 0.000 1.494 257 N CB -0.606 37.948 38.487 0.112 0.000 0.821 257 N HN 0.425 nan 8.380 nan 0.000 0.482 258 I N 2.401 123.001 120.570 0.050 0.000 3.968 258 I HA 0.235 4.405 4.170 0.000 0.000 0.328 258 I C 1.062 177.305 176.117 0.211 0.000 1.290 258 I CA 0.100 61.428 61.300 0.045 0.000 1.163 258 I CB 0.058 38.014 38.000 -0.073 0.000 1.024 258 I HN 0.592 nan 8.210 nan 0.000 0.413 259 F N -0.145 119.816 119.950 0.019 0.000 2.765 259 F HA 0.383 4.910 4.527 0.000 0.000 0.302 259 F C 1.685 177.519 175.800 0.056 0.000 1.111 259 F CA -0.013 58.027 58.000 0.066 0.000 1.359 259 F CB -0.687 38.345 39.000 0.053 0.000 1.097 259 F HN -0.155 nan 8.300 nan 0.000 0.577 260 R N 0.109 120.582 120.500 -0.046 0.000 2.235 260 R HA -0.095 4.245 4.340 0.000 0.000 0.213 260 R C 1.731 177.941 176.300 -0.149 0.000 1.059 260 R CA 0.698 56.667 56.100 -0.219 0.000 0.997 260 R CB -1.390 28.899 30.300 -0.019 0.000 0.884 260 R HN 0.464 nan 8.270 nan 0.000 0.462 261 F N 1.542 121.396 119.950 -0.161 0.000 2.494 261 F HA -0.120 4.407 4.527 0.000 0.000 0.298 261 F C 1.170 176.872 175.800 -0.163 0.000 1.106 261 F CA 1.193 59.120 58.000 -0.122 0.000 1.452 261 F CB 0.163 39.116 39.000 -0.078 0.000 1.085 261 F HN -0.153 nan 8.300 nan 0.000 0.569 262 T N -1.503 112.803 114.554 -0.413 0.000 2.978 262 T HA 0.006 4.356 4.350 0.000 0.000 0.248 262 T C 1.553 175.925 174.700 -0.546 0.000 1.018 262 T CA 0.231 62.019 62.100 -0.521 0.000 1.026 262 T CB 0.171 68.823 68.868 -0.360 0.000 1.032 262 T HN 0.042 nan 8.240 nan 0.000 0.485 263 Q N 1.966 121.402 119.800 -0.607 0.000 2.152 263 Q HA 0.023 4.363 4.340 0.000 0.000 0.206 263 Q C 2.405 178.207 176.000 -0.331 0.000 0.985 263 Q CA 1.710 57.227 55.803 -0.477 0.000 0.863 263 Q CB -0.693 27.813 28.738 -0.388 0.000 0.904 263 Q HN 0.565 nan 8.270 nan 0.000 0.422 264 A N -0.129 122.506 122.820 -0.308 0.000 1.859 264 A HA -0.213 4.107 4.320 0.000 0.000 0.218 264 A C 2.292 179.738 177.584 -0.230 0.000 1.209 264 A CA 2.092 53.990 52.037 -0.231 0.000 0.639 264 A CB -1.544 17.321 19.000 -0.225 0.000 0.835 264 A HN 0.506 nan 8.150 nan 0.000 0.450 265 G N -1.194 107.425 108.800 -0.301 0.000 2.422 265 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 265 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 265 G C 1.684 176.461 174.900 -0.204 0.000 1.146 265 G CA 1.263 46.216 45.100 -0.245 0.000 0.769 265 G HN 0.522 nan 8.290 nan 0.000 0.547 266 S N 0.325 115.862 115.700 -0.270 0.000 2.500 266 S HA -0.023 4.447 4.470 0.000 0.000 0.239 266 S C 1.714 176.223 174.600 -0.152 0.000 0.989 266 S CA 0.978 59.030 58.200 -0.247 0.000 0.951 266 S CB -0.016 62.946 63.200 -0.398 0.000 0.759 266 S HN 0.610 nan 8.310 nan 0.000 0.523 267 E N -0.613 119.500 120.200 -0.144 0.000 2.526 267 E HA 0.205 4.555 4.350 0.000 0.000 0.208 267 E C 1.072 177.628 176.600 -0.072 0.000 0.997 267 E CA 0.056 56.400 56.400 -0.093 0.000 0.961 267 E CB 0.742 30.387 29.700 -0.091 0.000 1.030 267 E HN 0.256 nan 8.360 nan 0.000 0.483 268 V N -0.682 119.182 119.914 -0.083 0.000 3.539 268 V HA 0.005 4.125 4.120 0.000 0.000 0.262 268 V C 1.663 177.727 176.094 -0.050 0.000 1.381 268 V CA 0.568 62.832 62.300 -0.060 0.000 1.060 268 V CB 0.784 32.569 31.823 -0.063 0.000 0.842 268 V HN 0.080 nan 8.190 nan 0.000 0.445 269 S N 1.230 116.893 115.700 -0.061 0.000 2.482 269 S HA -0.286 4.184 4.470 0.000 0.000 0.226 269 S C 2.176 176.763 174.600 -0.022 0.000 1.048 269 S CA 2.363 60.538 58.200 -0.042 0.000 1.158 269 S CB -0.729 62.446 63.200 -0.041 0.000 1.130 269 S HN 0.833 nan 8.310 nan 0.000 0.413 270 A N 1.772 124.584 122.820 -0.014 0.000 1.903 270 A HA -0.149 4.171 4.320 0.000 0.000 0.219 270 A C 2.015 179.596 177.584 -0.006 0.000 1.191 270 A CA 2.027 54.062 52.037 -0.004 0.000 0.638 270 A CB -1.189 17.812 19.000 0.002 0.000 0.823 270 A HN 0.648 nan 8.150 nan 0.000 0.451 271 L N -2.665 118.551 121.223 -0.011 0.000 2.711 271 L HA 0.201 4.541 4.340 0.000 0.000 0.242 271 L C 1.438 178.303 176.870 -0.009 0.000 1.153 271 L CA 0.362 55.197 54.840 -0.009 0.000 0.898 271 L CB -0.446 41.606 42.059 -0.012 0.000 1.044 271 L HN 0.248 nan 8.230 nan 0.000 0.437 272 L N 0.488 121.705 121.223 -0.009 0.000 2.638 272 L HA 0.406 4.746 4.340 0.000 0.000 0.232 272 L C 1.170 178.039 176.870 -0.001 0.000 1.099 272 L CA 0.553 55.389 54.840 -0.006 0.000 0.883 272 L CB 0.441 42.493 42.059 -0.012 0.000 1.136 272 L HN 0.522 nan 8.230 nan 0.000 0.492 273 G N 1.099 109.899 108.800 -0.001 0.000 2.237 273 G HA2 -0.161 3.799 3.960 0.000 0.000 0.153 273 G HA3 -0.161 3.799 3.960 0.000 0.000 0.153 273 G C -0.147 174.755 174.900 0.003 0.000 1.039 273 G CA -0.590 44.512 45.100 0.003 0.000 0.719 273 G HN 0.214 nan 8.290 nan 0.000 0.491 274 R N -0.903 119.598 120.500 0.002 0.000 2.832 274 R HA 0.755 5.095 4.340 0.000 0.000 0.271 274 R C 0.015 176.320 176.300 0.008 0.000 0.996 274 R CA -1.011 55.091 56.100 0.004 0.000 0.977 274 R CB 1.648 31.948 30.300 0.001 0.000 1.168 274 R HN 0.194 nan 8.270 nan 0.000 0.482 275 I N 3.957 124.533 120.570 0.011 0.000 2.331 275 I HA 0.245 4.415 4.170 0.000 0.000 0.292 275 I C -1.514 174.615 176.117 0.021 0.000 0.998 275 I CA -2.043 59.266 61.300 0.014 0.000 1.267 275 I CB 1.451 39.458 38.000 0.012 0.000 1.386 275 I HN 0.364 nan 8.210 nan 0.000 0.476 276 P HA 0.064 nan 4.420 nan 0.000 0.273 276 P C -0.333 176.992 177.300 0.042 0.000 1.258 276 P CA -0.033 63.092 63.100 0.041 0.000 0.802 276 P CB 1.331 33.055 31.700 0.041 0.000 1.040 277 S N -1.727 114.008 115.700 0.058 0.000 3.576 277 S HA 0.525 4.995 4.470 0.000 0.000 0.321 277 S C -1.054 173.549 174.600 0.006 0.000 1.174 277 S CA -0.059 58.163 58.200 0.037 0.000 1.102 277 S CB -0.079 63.152 63.200 0.051 0.000 1.467 277 S HN 0.617 nan 8.310 nan 0.000 0.701 278 A N 1.171 123.965 122.820 -0.044 0.000 2.547 278 A HA 0.362 4.682 4.320 0.000 0.000 0.269 278 A C 1.256 178.644 177.584 -0.326 0.000 1.041 278 A CA 0.980 52.914 52.037 -0.171 0.000 0.855 278 A CB -1.591 17.281 19.000 -0.214 0.000 0.934 278 A HN 1.676 nan 8.150 nan 0.000 0.521 279 V N 1.296 121.085 119.914 -0.208 0.000 1.571 279 V HA -0.367 3.753 4.120 0.000 0.000 0.066 279 V C 2.110 178.236 176.094 0.054 0.000 1.481 279 V CA 2.438 64.650 62.300 -0.147 0.000 2.255 279 V CB -1.879 29.711 31.823 -0.388 0.000 1.591 279 V HN 2.794 nan 8.190 nan 0.000 0.919 280 G N -3.346 105.508 108.800 0.090 0.000 2.796 280 G HA2 -0.221 3.739 3.960 0.000 0.000 0.198 280 G HA3 -0.221 3.739 3.960 0.000 0.000 0.198 280 G C 0.290 175.320 174.900 0.216 0.000 1.062 280 G CA 0.249 45.433 45.100 0.140 0.000 0.752 280 G HN 0.665 nan 8.290 nan 0.000 0.487 281 Y N 1.603 121.905 120.300 0.002 0.000 1.327 281 Y HA -0.175 4.375 4.550 0.000 0.000 0.083 281 Y C 1.590 177.478 175.900 -0.020 0.000 0.593 281 Y CA 1.873 59.968 58.100 -0.009 0.000 0.246 281 Y CB -1.143 37.320 38.460 0.005 0.000 0.529 281 Y HN 0.952 nan 8.280 nan 0.000 0.819 282 Q N -0.390 119.528 119.800 0.196 0.000 2.386 282 Q HA 0.377 4.717 4.340 0.000 0.000 0.274 282 Q C -2.895 173.148 176.000 0.072 0.000 1.011 282 Q CA -1.776 54.072 55.803 0.074 0.000 0.867 282 Q CB 2.658 31.393 28.738 -0.005 0.000 1.409 282 Q HN 0.170 nan 8.270 nan 0.000 0.395 283 P HA 0.018 nan 4.420 nan 0.000 0.258 283 P C -0.077 177.243 177.300 0.034 0.000 1.559 283 P CA 0.296 63.419 63.100 0.040 0.000 0.855 283 P CB -0.028 31.689 31.700 0.027 0.000 1.594 284 T N -4.683 109.890 114.554 0.032 0.000 3.028 284 T HA 0.031 4.381 4.350 0.000 0.000 0.262 284 T C 1.485 176.206 174.700 0.034 0.000 0.916 284 T CA -0.162 61.952 62.100 0.023 0.000 0.873 284 T CB -0.796 68.068 68.868 -0.006 0.000 1.232 284 T HN 0.014 nan 8.240 nan 0.000 0.529 285 L N 1.696 122.945 121.223 0.042 0.000 2.123 285 L HA -0.212 4.128 4.340 0.000 0.000 0.217 285 L C 2.520 179.460 176.870 0.116 0.000 1.081 285 L CA 2.194 57.074 54.840 0.066 0.000 0.772 285 L CB -0.584 41.565 42.059 0.151 0.000 0.890 285 L HN 0.407 nan 8.230 nan 0.000 0.437 286 A N -0.788 122.104 122.820 0.120 0.000 1.832 286 A HA -0.176 4.144 4.320 0.000 0.000 0.214 286 A C 2.227 179.902 177.584 0.151 0.000 1.200 286 A CA 2.198 54.321 52.037 0.143 0.000 0.610 286 A CB -1.266 17.802 19.000 0.115 0.000 0.842 286 A HN 0.496 nan 8.150 nan 0.000 0.444 287 T N 0.461 115.085 114.554 0.117 0.000 2.720 287 T HA -0.142 4.208 4.350 0.000 0.000 0.268 287 T C 1.459 176.255 174.700 0.160 0.000 1.037 287 T CA 1.635 63.806 62.100 0.118 0.000 1.144 287 T CB -0.579 68.340 68.868 0.083 0.000 0.864 287 T HN 0.476 nan 8.240 nan 0.000 0.444 288 D N 1.106 121.599 120.400 0.154 0.000 2.240 288 D HA -0.140 4.500 4.640 0.000 0.000 0.204 288 D C 1.955 178.547 176.300 0.486 0.000 1.018 288 D CA 1.152 55.304 54.000 0.254 0.000 0.887 288 D CB -0.653 40.134 40.800 -0.023 0.000 1.087 288 D HN 0.145 nan 8.370 nan 0.000 0.464 289 M N 0.971 120.782 119.600 0.353 0.000 2.146 289 M HA -0.116 4.364 4.480 0.000 0.000 0.256 289 M C 1.754 178.070 176.300 0.026 0.000 1.075 289 M CA 2.046 57.480 55.300 0.223 0.000 1.082 289 M CB -0.975 31.715 32.600 0.150 0.000 1.355 289 M HN 0.096 nan 8.290 nan 0.000 0.402 290 G N -1.430 107.464 108.800 0.156 0.000 2.705 290 G HA2 -0.223 3.737 3.960 0.000 0.000 0.214 290 G HA3 -0.223 3.737 3.960 0.000 0.000 0.214 290 G C 1.302 176.274 174.900 0.119 0.000 1.321 290 G CA 1.549 46.772 45.100 0.204 0.000 0.826 290 G HN 0.455 nan 8.290 nan 0.000 0.595 291 T N 0.938 115.565 114.554 0.122 0.000 2.755 291 T HA -0.274 4.076 4.350 0.000 0.000 0.266 291 T C 2.116 176.821 174.700 0.008 0.000 1.041 291 T CA 1.727 63.878 62.100 0.085 0.000 1.147 291 T CB -0.205 68.733 68.868 0.116 0.000 0.847 291 T HN 0.242 nan 8.240 nan 0.000 0.478 292 M N 0.486 120.039 119.600 -0.079 0.000 2.171 292 M HA 0.001 4.481 4.480 0.000 0.000 0.260 292 M C 2.200 178.363 176.300 -0.229 0.000 1.087 292 M CA 1.494 56.617 55.300 -0.294 0.000 1.154 292 M CB -0.436 31.669 32.600 -0.825 0.000 1.331 292 M HN 0.161 nan 8.290 nan 0.000 0.431 293 Q N 0.405 120.074 119.800 -0.219 0.000 2.291 293 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 293 Q C 0.559 176.538 176.000 -0.034 0.000 0.976 293 Q CA 0.794 56.491 55.803 -0.176 0.000 0.875 293 Q CB -0.073 28.465 28.738 -0.334 0.000 0.927 293 Q HN 0.552 nan 8.270 nan 0.000 0.450 294 E N 0.580 120.790 120.200 0.018 0.000 2.301 294 E HA 0.006 4.356 4.350 0.000 0.000 0.195 294 E C 0.742 177.352 176.600 0.016 0.000 1.171 294 E CA 0.168 56.602 56.400 0.055 0.000 1.142 294 E CB 0.128 29.881 29.700 0.087 0.000 1.218 294 E HN 0.318 nan 8.360 nan 0.000 0.448 295 R N -0.217 120.272 120.500 -0.019 0.000 2.470 295 R HA 0.209 4.549 4.340 0.000 0.000 0.210 295 R C 1.415 177.697 176.300 -0.029 0.000 0.873 295 R CA 0.017 56.102 56.100 -0.025 0.000 1.015 295 R CB 0.122 30.393 30.300 -0.049 0.000 1.348 295 R HN 0.068 nan 8.270 nan 0.000 0.650 296 I N 0.674 121.215 120.570 -0.048 0.000 2.397 296 I HA 0.241 4.411 4.170 0.000 0.000 0.291 296 I C -0.235 175.861 176.117 -0.035 0.000 1.125 296 I CA 0.252 61.521 61.300 -0.052 0.000 1.961 296 I CB 0.176 38.124 38.000 -0.088 0.000 1.508 296 I HN -0.127 nan 8.210 nan 0.000 0.886 297 T N 1.672 116.215 114.554 -0.018 0.000 2.812 297 T HA 0.480 4.830 4.350 0.000 0.000 0.294 297 T C 0.285 174.979 174.700 -0.010 0.000 1.159 297 T CA -0.250 61.842 62.100 -0.013 0.000 1.008 297 T CB 1.774 70.641 68.868 -0.001 0.000 1.289 297 T HN 0.445 nan 8.240 nan 0.000 0.514 298 T N 1.288 115.834 114.554 -0.013 0.000 2.771 298 T HA 0.651 5.001 4.350 0.000 0.000 0.290 298 T C -0.110 174.579 174.700 -0.019 0.000 1.005 298 T CA -0.357 61.734 62.100 -0.013 0.000 0.944 298 T CB 0.989 69.846 68.868 -0.018 0.000 1.147 298 T HN 0.797 nan 8.240 nan 0.000 0.534 299 T N -1.240 113.301 114.554 -0.022 0.000 2.669 299 T HA 0.180 4.530 4.350 0.000 0.000 0.305 299 T C -0.478 174.205 174.700 -0.029 0.000 1.838 299 T CA -0.769 61.314 62.100 -0.029 0.000 0.978 299 T CB 0.638 69.493 68.868 -0.021 0.000 1.851 299 T HN 0.499 nan 8.240 nan 0.000 0.503 300 K N 0.609 120.989 120.400 -0.034 0.000 2.616 300 K HA 0.100 4.420 4.320 0.000 0.000 0.192 300 K C 1.121 177.706 176.600 -0.025 0.000 1.031 300 K CA 0.747 57.015 56.287 -0.031 0.000 1.004 300 K CB 0.056 32.536 32.500 -0.034 0.000 0.810 300 K HN 0.295 nan 8.250 nan 0.000 0.497 301 K N -0.955 119.432 120.400 -0.022 0.000 2.502 301 K HA 0.157 4.478 4.320 0.000 0.000 0.211 301 K C 0.508 177.098 176.600 -0.017 0.000 1.259 301 K CA 0.026 56.300 56.287 -0.022 0.000 0.983 301 K CB 1.846 34.331 32.500 -0.025 0.000 1.054 301 K HN 0.141 nan 8.250 nan 0.000 0.572 302 G N 0.767 109.560 108.800 -0.011 0.000 2.328 302 G HA2 0.227 4.187 3.960 0.000 0.000 0.295 302 G HA3 0.227 4.187 3.960 0.000 0.000 0.295 302 G C -1.799 173.104 174.900 0.006 0.000 1.413 302 G CA -0.493 44.607 45.100 -0.000 0.000 0.817 302 G HN -0.091 nan 8.290 nan 0.000 0.546 303 S N -1.174 114.537 115.700 0.017 0.000 2.566 303 S HA 0.819 5.289 4.470 0.000 0.000 0.298 303 S C -0.707 173.912 174.600 0.032 0.000 1.083 303 S CA -0.762 57.448 58.200 0.017 0.000 0.978 303 S CB 1.215 64.423 63.200 0.014 0.000 1.073 303 S HN 0.690 nan 8.310 nan 0.000 0.491 304 I N 3.590 124.169 120.570 0.014 0.000 2.495 304 I HA 0.220 4.390 4.170 0.000 0.000 0.277 304 I C -0.399 175.697 176.117 -0.034 0.000 1.045 304 I CA -0.511 60.793 61.300 0.007 0.000 1.135 304 I CB 1.785 39.786 38.000 0.003 0.000 1.241 304 I HN 0.551 nan 8.210 nan 0.000 0.469 305 T N 2.777 117.305 114.554 -0.045 0.000 2.855 305 T HA 0.153 4.503 4.350 0.000 0.000 0.290 305 T C 0.288 174.881 174.700 -0.178 0.000 0.941 305 T CA -0.080 61.965 62.100 -0.092 0.000 1.030 305 T CB 0.476 69.300 68.868 -0.074 0.000 0.935 305 T HN 0.516 nan 8.240 nan 0.000 0.564 306 S N 2.439 118.019 115.700 -0.200 0.000 2.690 306 S HA 0.696 5.166 4.470 0.000 0.000 0.291 306 S C -0.484 173.879 174.600 -0.395 0.000 1.138 306 S CA -0.677 57.345 58.200 -0.298 0.000 1.013 306 S CB 0.874 63.942 63.200 -0.220 0.000 1.053 306 S HN 0.444 nan 8.310 nan 0.000 0.539 307 V N 3.622 123.221 119.914 -0.525 0.000 2.447 307 V HA 0.418 4.538 4.120 0.000 0.000 0.292 307 V C -0.209 175.649 176.094 -0.394 0.000 1.021 307 V CA -0.589 61.400 62.300 -0.520 0.000 0.850 307 V CB 1.120 32.481 31.823 -0.770 0.000 1.005 307 V HN 0.925 nan 8.190 nan 0.000 0.426 308 Q N 2.243 121.859 119.800 -0.308 0.000 2.527 308 Q HA 0.948 5.288 4.340 0.000 0.000 0.220 308 Q C -0.441 175.411 176.000 -0.248 0.000 1.014 308 Q CA -0.820 54.824 55.803 -0.265 0.000 0.978 308 Q CB 2.346 30.934 28.738 -0.250 0.000 1.245 308 Q HN 0.856 nan 8.270 nan 0.000 0.513 309 A N 0.543 123.216 122.820 -0.246 0.000 2.513 309 A HA 0.640 4.960 4.320 0.000 0.000 0.296 309 A C -1.706 175.695 177.584 -0.305 0.000 1.052 309 A CA -0.430 51.455 52.037 -0.253 0.000 0.714 309 A CB 0.863 19.779 19.000 -0.139 0.000 1.279 309 A HN 0.461 nan 8.150 nan 0.000 0.397 310 I N 2.313 122.580 120.570 -0.505 0.000 2.478 310 I HA 0.323 4.493 4.170 0.000 0.000 0.287 310 I C -0.567 175.222 176.117 -0.547 0.000 1.042 310 I CA -0.402 60.540 61.300 -0.597 0.000 1.067 310 I CB 1.630 39.124 38.000 -0.843 0.000 1.233 310 I HN 0.663 nan 8.210 nan 0.000 0.431 311 Y N 6.641 126.436 120.300 -0.841 0.000 2.397 311 Y HA 0.441 4.991 4.550 0.000 0.000 0.335 311 Y C -0.043 175.525 175.900 -0.553 0.000 1.213 311 Y CA -0.426 57.285 58.100 -0.648 0.000 1.391 311 Y CB 0.991 39.160 38.460 -0.485 0.000 1.293 311 Y HN 0.318 nan 8.280 nan 0.000 0.557 312 V N 8.394 127.863 119.914 -0.742 0.000 2.220 312 V HA 0.256 4.376 4.120 0.000 0.000 0.265 312 V C -2.329 173.302 176.094 -0.772 0.000 1.078 312 V CA -1.981 59.989 62.300 -0.550 0.000 0.872 312 V CB 0.209 31.926 31.823 -0.178 0.000 1.121 312 V HN 0.713 nan 8.190 nan 0.000 0.460 313 P HA 0.065 nan 4.420 nan 0.000 0.261 313 P C 0.798 178.025 177.300 -0.122 0.000 1.183 313 P CA 1.063 63.953 63.100 -0.350 0.000 0.761 313 P CB 0.604 32.337 31.700 0.055 0.000 0.785 314 A N 4.245 127.043 122.820 -0.037 0.000 2.816 314 A HA -0.272 4.048 4.320 0.000 0.000 0.270 314 A C 1.337 178.916 177.584 -0.009 0.000 1.413 314 A CA 1.186 53.231 52.037 0.015 0.000 0.866 314 A CB -2.447 16.573 19.000 0.033 0.000 1.032 314 A HN 0.658 nan 8.150 nan 0.000 0.642 315 D N -1.673 118.698 120.400 -0.049 0.000 3.079 315 D HA -0.154 4.486 4.640 0.000 0.000 0.214 315 D C -0.633 175.652 176.300 -0.024 0.000 1.145 315 D CA 1.646 55.629 54.000 -0.029 0.000 0.958 315 D CB -1.053 39.752 40.800 0.009 0.000 1.117 315 D HN 0.780 nan 8.370 nan 0.000 0.416 316 D N 0.847 121.228 120.400 -0.032 0.000 2.411 316 D HA 0.182 4.822 4.640 0.000 0.000 0.225 316 D C 1.756 178.053 176.300 -0.004 0.000 1.156 316 D CA -0.428 53.563 54.000 -0.015 0.000 0.874 316 D CB 0.858 41.651 40.800 -0.010 0.000 1.034 316 D HN 0.256 nan 8.370 nan 0.000 0.502 317 L N 1.560 122.787 121.223 0.006 0.000 2.353 317 L HA -0.166 4.174 4.340 0.000 0.000 0.220 317 L C 2.343 179.233 176.870 0.034 0.000 1.133 317 L CA 1.065 55.928 54.840 0.039 0.000 0.798 317 L CB -0.384 41.686 42.059 0.018 0.000 0.922 317 L HN 0.401 nan 8.230 nan 0.000 0.445 318 T N -4.314 110.240 114.554 -0.000 0.000 3.155 318 T HA -0.097 4.253 4.350 0.000 0.000 0.264 318 T C 0.521 175.216 174.700 -0.007 0.000 1.160 318 T CA -0.064 62.028 62.100 -0.013 0.000 1.075 318 T CB -0.529 68.323 68.868 -0.027 0.000 0.921 318 T HN 0.093 nan 8.240 nan 0.000 0.533 319 D N 2.694 123.107 120.400 0.022 0.000 2.304 319 D HA 0.207 4.847 4.640 0.000 0.000 0.250 319 D C -1.498 174.848 176.300 0.077 0.000 1.107 319 D CA -2.402 51.615 54.000 0.029 0.000 0.885 319 D CB 1.527 42.379 40.800 0.087 0.000 1.192 319 D HN 0.008 nan 8.370 nan 0.000 0.436 320 P HA 0.043 nan 4.420 nan 0.000 0.258 320 P C -0.005 177.462 177.300 0.277 0.000 1.319 320 P CA 0.200 63.363 63.100 0.105 0.000 0.785 320 P CB 0.379 32.081 31.700 0.003 0.000 1.252 321 A N 0.912 123.947 122.820 0.359 0.000 1.909 321 A HA 0.188 4.508 4.320 0.000 0.000 0.210 321 A C -0.301 177.486 177.584 0.338 0.000 1.273 321 A CA 0.641 52.962 52.037 0.474 0.000 0.654 321 A CB -1.357 18.058 19.000 0.691 0.000 0.945 321 A HN 0.151 nan 8.150 nan 0.000 0.471 322 P HA 0.017 nan 4.420 nan 0.000 0.217 322 P C 1.762 179.293 177.300 0.384 0.000 1.154 322 P CA 1.818 65.113 63.100 0.325 0.000 0.841 322 P CB -0.092 31.774 31.700 0.277 0.000 0.788 323 A N 0.008 123.077 122.820 0.415 0.000 1.885 323 A HA -0.298 4.022 4.320 0.000 0.000 0.215 323 A C 2.244 180.114 177.584 0.476 0.000 1.255 323 A CA 3.383 55.703 52.037 0.471 0.000 0.692 323 A CB -2.128 16.997 19.000 0.208 0.000 0.842 323 A HN 0.183 nan 8.150 nan 0.000 0.465 324 T N -0.003 114.741 114.554 0.317 0.000 2.718 324 T HA -0.233 4.117 4.350 0.000 0.000 0.266 324 T C 1.849 176.771 174.700 0.370 0.000 1.033 324 T CA 2.203 64.479 62.100 0.294 0.000 1.151 324 T CB -0.975 68.048 68.868 0.258 0.000 0.853 324 T HN 0.678 nan 8.240 nan 0.000 0.466 325 T N 1.566 116.343 114.554 0.372 0.000 2.674 325 T HA -0.062 4.288 4.350 0.000 0.000 0.265 325 T C 1.524 176.477 174.700 0.421 0.000 1.039 325 T CA 1.230 63.540 62.100 0.350 0.000 1.150 325 T CB -0.733 68.264 68.868 0.216 0.000 0.864 325 T HN 0.335 nan 8.240 nan 0.000 0.427 326 F N 2.055 122.222 119.950 0.362 0.000 2.076 326 F HA -0.317 4.210 4.527 0.000 0.000 0.294 326 F C 2.607 178.498 175.800 0.153 0.000 1.078 326 F CA 1.305 59.437 58.000 0.219 0.000 1.247 326 F CB -1.015 37.980 39.000 -0.009 0.000 0.984 326 F HN 0.183 nan 8.300 nan 0.000 0.491 327 A N -1.730 121.270 122.820 0.300 0.000 2.272 327 A HA -0.168 4.152 4.320 0.000 0.000 0.213 327 A C 1.687 179.219 177.584 -0.088 0.000 1.183 327 A CA 1.562 53.636 52.037 0.063 0.000 0.719 327 A CB -0.879 18.099 19.000 -0.038 0.000 0.771 327 A HN 0.617 nan 8.150 nan 0.000 0.484 328 H N -1.076 118.066 119.070 0.121 0.000 2.594 328 H HA 0.157 4.713 4.556 0.000 0.000 0.274 328 H C 0.431 175.779 175.328 0.035 0.000 0.982 328 H CA 0.219 56.305 56.048 0.064 0.000 1.228 328 H CB -0.054 29.736 29.762 0.047 0.000 1.447 328 H HN 0.520 nan 8.280 nan 0.000 0.485 329 L N 1.556 122.880 121.223 0.168 0.000 2.456 329 L HA 0.187 4.527 4.340 0.000 0.000 0.277 329 L C 0.463 177.364 176.870 0.052 0.000 1.124 329 L CA 0.047 54.929 54.840 0.069 0.000 0.880 329 L CB 0.585 42.685 42.059 0.068 0.000 1.192 329 L HN -0.085 nan 8.230 nan 0.000 0.463 330 D N 4.367 124.762 120.400 -0.010 0.000 2.948 330 D HA 0.364 5.004 4.640 0.000 0.000 0.241 330 D C -0.013 176.279 176.300 -0.013 0.000 1.198 330 D CA 0.737 54.733 54.000 -0.007 0.000 0.926 330 D CB 0.179 40.961 40.800 -0.030 0.000 1.151 330 D HN 0.882 nan 8.370 nan 0.000 0.441 331 A N 0.176 123.017 122.820 0.034 0.000 1.466 331 A HA 0.136 4.456 4.320 0.000 0.000 0.232 331 A C -0.203 177.464 177.584 0.139 0.000 0.829 331 A CA -0.818 51.283 52.037 0.107 0.000 0.563 331 A CB -0.251 18.823 19.000 0.123 0.000 0.755 331 A HN 0.079 nan 8.150 nan 0.000 0.326 332 T N 1.884 116.569 114.554 0.218 0.000 2.943 332 T HA 0.847 5.197 4.350 0.000 0.000 0.284 332 T C 0.420 175.287 174.700 0.279 0.000 1.015 332 T CA 0.204 62.476 62.100 0.287 0.000 1.042 332 T CB 1.496 70.559 68.868 0.326 0.000 1.055 332 T HN 1.820 nan 8.240 nan 0.000 0.500 333 T N -1.681 113.063 114.554 0.316 0.000 3.824 333 T HA 0.208 4.558 4.350 0.000 0.000 0.232 333 T C -0.411 174.449 174.700 0.267 0.000 0.927 333 T CA -0.603 61.650 62.100 0.255 0.000 1.620 333 T CB -0.826 68.183 68.868 0.236 0.000 0.762 333 T HN 0.314 nan 8.240 nan 0.000 0.619 334 V N 3.306 123.373 119.914 0.254 0.000 2.324 334 V HA 0.185 4.305 4.120 0.000 0.000 0.244 334 V C 0.662 176.844 176.094 0.146 0.000 1.144 334 V CA -0.282 62.156 62.300 0.231 0.000 1.158 334 V CB -1.105 30.818 31.823 0.166 0.000 1.254 334 V HN 0.674 nan 8.190 nan 0.000 0.492 335 L N 4.147 125.456 121.223 0.144 0.000 2.499 335 L HA 0.150 4.490 4.340 0.000 0.000 0.273 335 L C 0.814 177.718 176.870 0.057 0.000 1.195 335 L CA 1.056 55.948 54.840 0.087 0.000 0.882 335 L CB 0.447 42.577 42.059 0.117 0.000 1.133 335 L HN 0.624 nan 8.230 nan 0.000 0.483 336 S N 2.867 118.568 115.700 0.002 0.000 2.525 336 S HA 0.378 4.848 4.470 0.000 0.000 0.290 336 S C 0.997 175.584 174.600 -0.022 0.000 1.152 336 S CA -0.755 57.443 58.200 -0.003 0.000 1.072 336 S CB 1.262 64.453 63.200 -0.015 0.000 1.027 336 S HN 0.738 nan 8.310 nan 0.000 0.500 337 R N 3.108 123.613 120.500 0.009 0.000 2.115 337 R HA 0.106 4.446 4.340 0.000 0.000 0.226 337 R C 1.848 178.149 176.300 0.000 0.000 1.100 337 R CA 1.377 57.489 56.100 0.019 0.000 0.980 337 R CB -0.630 29.694 30.300 0.040 0.000 0.875 337 R HN 0.743 nan 8.270 nan 0.000 0.445 338 A N 0.598 123.413 122.820 -0.009 0.000 2.209 338 A HA 0.024 4.344 4.320 0.000 0.000 0.212 338 A C 1.755 179.321 177.584 -0.031 0.000 1.158 338 A CA 0.519 52.549 52.037 -0.013 0.000 0.742 338 A CB -0.150 18.842 19.000 -0.013 0.000 0.790 338 A HN 0.284 nan 8.150 nan 0.000 0.472 339 I N -0.970 119.563 120.570 -0.063 0.000 2.731 339 I HA -0.032 4.138 4.170 0.000 0.000 0.260 339 I C 2.722 178.731 176.117 -0.181 0.000 1.138 339 I CA 1.208 62.439 61.300 -0.115 0.000 1.461 339 I CB -1.122 36.786 38.000 -0.154 0.000 1.128 339 I HN 0.339 nan 8.210 nan 0.000 0.438 340 A N 1.045 123.755 122.820 -0.183 0.000 2.070 340 A HA -0.166 4.154 4.320 0.000 0.000 0.220 340 A C 2.051 179.656 177.584 0.035 0.000 1.159 340 A CA 1.183 53.150 52.037 -0.116 0.000 0.656 340 A CB -0.361 18.693 19.000 0.090 0.000 0.800 340 A HN 0.466 nan 8.150 nan 0.000 0.453 341 E N 0.738 120.948 120.200 0.016 0.000 2.051 341 E HA -0.167 4.183 4.350 0.000 0.000 0.192 341 E C 1.815 178.441 176.600 0.043 0.000 0.991 341 E CA 1.217 57.638 56.400 0.035 0.000 0.799 341 E CB -0.684 29.028 29.700 0.020 0.000 0.748 341 E HN 0.705 nan 8.360 nan 0.000 0.449 342 L N 0.201 121.439 121.223 0.025 0.000 2.549 342 L HA 0.019 4.359 4.340 0.000 0.000 0.229 342 L C 1.887 178.829 176.870 0.119 0.000 1.158 342 L CA 0.716 55.591 54.840 0.059 0.000 0.842 342 L CB -0.837 41.242 42.059 0.032 0.000 0.952 342 L HN 0.335 nan 8.230 nan 0.000 0.452 343 G N 0.100 108.951 108.800 0.084 0.000 2.328 343 G HA2 -0.297 3.663 3.960 0.000 0.000 0.256 343 G HA3 -0.297 3.663 3.960 0.000 0.000 0.256 343 G C 0.478 175.409 174.900 0.051 0.000 1.014 343 G CA 0.036 45.231 45.100 0.160 0.000 0.620 343 G HN 0.201 nan 8.290 nan 0.000 0.530 344 I N 1.166 121.685 120.570 -0.084 0.000 3.136 344 I HA 0.046 4.216 4.170 0.000 0.000 0.298 344 I C 0.145 176.055 176.117 -0.346 0.000 1.232 344 I CA 0.748 61.939 61.300 -0.183 0.000 1.379 344 I CB -1.670 36.242 38.000 -0.147 0.000 1.411 344 I HN 0.232 nan 8.210 nan 0.000 0.532 345 Y N 7.344 127.558 120.300 -0.142 0.000 2.421 345 Y HA 0.341 4.891 4.550 0.000 0.000 0.339 345 Y C -1.899 173.908 175.900 -0.155 0.000 0.996 345 Y CA -2.035 55.979 58.100 -0.144 0.000 1.046 345 Y CB 2.583 40.911 38.460 -0.219 0.000 1.226 345 Y HN 0.435 nan 8.280 nan 0.000 0.445 346 P HA -0.052 nan 4.420 nan 0.000 0.269 346 P C -0.177 177.121 177.300 -0.004 0.000 1.211 346 P CA 0.166 63.461 63.100 0.325 0.000 0.781 346 P CB 1.026 32.946 31.700 0.367 0.000 0.877 347 A N 2.229 124.965 122.820 -0.140 0.000 2.310 347 A HA 0.157 4.477 4.320 0.000 0.000 0.230 347 A C 0.727 178.275 177.584 -0.060 0.000 1.294 347 A CA -0.231 51.645 52.037 -0.269 0.000 0.898 347 A CB -1.025 17.757 19.000 -0.363 0.000 0.917 347 A HN 0.386 nan 8.150 nan 0.000 0.491 348 V N 1.192 121.122 119.914 0.027 0.000 2.644 348 V HA -0.049 4.071 4.120 0.000 0.000 0.305 348 V C 0.169 176.288 176.094 0.041 0.000 1.053 348 V CA 0.305 62.648 62.300 0.071 0.000 1.186 348 V CB 0.169 32.054 31.823 0.103 0.000 0.895 348 V HN 0.457 nan 8.190 nan 0.000 0.490 349 D N 6.492 126.924 120.400 0.052 0.000 2.177 349 D HA 0.342 4.982 4.640 0.000 0.000 0.247 349 D C -1.625 174.701 176.300 0.043 0.000 1.063 349 D CA -1.887 52.135 54.000 0.036 0.000 0.867 349 D CB 1.669 42.486 40.800 0.029 0.000 1.168 349 D HN 0.327 nan 8.370 nan 0.000 0.445 350 P HA -0.035 nan 4.420 nan 0.000 0.288 350 P C 0.058 177.375 177.300 0.029 0.000 1.448 350 P CA 0.335 63.457 63.100 0.037 0.000 0.764 350 P CB 0.348 32.074 31.700 0.045 0.000 1.472 351 L N 0.440 121.678 121.223 0.025 0.000 2.923 351 L HA 0.210 4.550 4.340 0.000 0.000 0.161 351 L C 0.056 176.929 176.870 0.005 0.000 1.202 351 L CA 0.778 55.623 54.840 0.007 0.000 0.920 351 L CB -0.429 41.627 42.059 -0.006 0.000 1.773 351 L HN -0.267 nan 8.230 nan 0.000 0.532 352 D N 0.040 120.443 120.400 0.004 0.000 2.490 352 D HA 0.082 4.722 4.640 0.000 0.000 0.255 352 D C -0.164 176.182 176.300 0.077 0.000 1.248 352 D CA 0.306 54.306 54.000 0.001 0.000 0.887 352 D CB -0.358 40.429 40.800 -0.022 0.000 0.978 352 D HN 0.073 nan 8.370 nan 0.000 0.491 353 S N 0.234 115.987 115.700 0.088 0.000 2.080 353 S HA 0.232 4.702 4.470 0.000 0.000 0.162 353 S C 0.420 175.097 174.600 0.128 0.000 1.618 353 S CA -0.846 57.437 58.200 0.139 0.000 1.200 353 S CB 0.418 63.698 63.200 0.134 0.000 1.135 353 S HN 0.476 nan 8.310 nan 0.000 0.455 354 T N -0.383 114.247 114.554 0.127 0.000 2.729 354 T HA 0.688 5.038 4.350 0.000 0.000 0.298 354 T C 0.243 175.020 174.700 0.128 0.000 1.013 354 T CA -0.484 61.679 62.100 0.105 0.000 0.957 354 T CB 1.242 70.159 68.868 0.082 0.000 1.130 354 T HN 0.362 nan 8.240 nan 0.000 0.526 355 S N -1.209 114.552 115.700 0.102 0.000 2.580 355 S HA 0.358 4.828 4.470 0.000 0.000 0.281 355 S C -0.923 173.719 174.600 0.070 0.000 1.129 355 S CA -0.928 57.334 58.200 0.103 0.000 0.862 355 S CB 1.052 64.327 63.200 0.125 0.000 1.090 355 S HN 0.786 nan 8.310 nan 0.000 0.451 356 R N 2.476 123.011 120.500 0.059 0.000 2.831 356 R HA 0.455 4.795 4.340 0.000 0.000 0.337 356 R C -0.013 176.305 176.300 0.030 0.000 1.200 356 R CA 0.028 56.151 56.100 0.038 0.000 1.088 356 R CB 0.096 30.415 30.300 0.032 0.000 1.397 356 R HN 0.458 nan 8.270 nan 0.000 0.581 357 I N -0.511 120.082 120.570 0.037 0.000 3.439 357 I HA 0.136 4.306 4.170 0.000 0.000 0.321 357 I C -0.095 176.032 176.117 0.017 0.000 1.435 357 I CA 0.233 61.550 61.300 0.028 0.000 0.914 357 I CB 0.842 38.871 38.000 0.049 0.000 1.807 357 I HN 0.127 nan 8.210 nan 0.000 0.681 358 M N 0.697 120.302 119.600 0.008 0.000 2.756 358 M HA 0.319 4.799 4.480 0.000 0.000 0.320 358 M C -0.643 175.613 176.300 -0.073 0.000 1.245 358 M CA -0.015 55.275 55.300 -0.016 0.000 0.972 358 M CB -0.216 32.402 32.600 0.030 0.000 1.327 358 M HN 0.083 nan 8.290 nan 0.000 0.505 359 D N 1.230 121.546 120.400 -0.139 0.000 2.225 359 D HA 0.211 4.851 4.640 0.000 0.000 0.249 359 D C -1.439 174.601 176.300 -0.433 0.000 1.052 359 D CA -1.548 52.269 54.000 -0.306 0.000 0.909 359 D CB 1.335 42.015 40.800 -0.200 0.000 1.186 359 D HN 0.107 nan 8.370 nan 0.000 0.431 360 P HA -0.199 nan 4.420 nan 0.000 0.219 360 P C 0.157 177.310 177.300 -0.245 0.000 1.144 360 P CA 1.193 63.954 63.100 -0.566 0.000 0.806 360 P CB 0.364 31.666 31.700 -0.664 0.000 0.771 361 N N 0.317 118.893 118.700 -0.206 0.000 2.216 361 N HA -0.082 4.658 4.740 0.000 0.000 0.183 361 N C 1.839 177.307 175.510 -0.069 0.000 1.017 361 N CA 1.368 54.352 53.050 -0.109 0.000 0.861 361 N CB -0.571 37.860 38.487 -0.094 0.000 0.986 361 N HN 0.291 nan 8.380 nan 0.000 0.428 362 I N -1.863 118.662 120.570 -0.075 0.000 3.616 362 I HA 0.177 4.347 4.170 0.000 0.000 0.296 362 I C 1.746 177.861 176.117 -0.003 0.000 1.226 362 I CA 0.524 61.806 61.300 -0.029 0.000 1.394 362 I CB -1.037 36.951 38.000 -0.020 0.000 1.171 362 I HN 0.030 nan 8.210 nan 0.000 0.442 363 V N 0.364 120.254 119.914 -0.039 0.000 2.575 363 V HA 0.717 4.838 4.120 0.000 0.000 0.242 363 V C 1.036 177.184 176.094 0.091 0.000 1.045 363 V CA 0.748 63.053 62.300 0.009 0.000 1.065 363 V CB -0.791 30.908 31.823 -0.207 0.000 0.717 363 V HN 0.658 nan 8.190 nan 0.000 0.467 364 G N -0.818 107.979 108.800 -0.003 0.000 2.307 364 G HA2 0.206 4.166 3.960 0.000 0.000 0.348 364 G HA3 0.206 4.166 3.960 0.000 0.000 0.348 364 G C -0.113 174.850 174.900 0.106 0.000 1.603 364 G CA 0.041 45.194 45.100 0.088 0.000 0.961 364 G HN 0.167 nan 8.290 nan 0.000 0.686 365 S N -0.138 115.641 115.700 0.133 0.000 2.377 365 S HA -0.021 4.449 4.470 0.000 0.000 0.223 365 S C 1.877 176.661 174.600 0.306 0.000 1.030 365 S CA 1.465 59.828 58.200 0.271 0.000 0.970 365 S CB -0.049 63.241 63.200 0.150 0.000 0.830 365 S HN 0.719 nan 8.310 nan 0.000 0.473 366 E N 1.104 121.414 120.200 0.184 0.000 2.031 366 E HA -0.243 4.107 4.350 0.000 0.000 0.193 366 E C 2.020 178.692 176.600 0.119 0.000 0.994 366 E CA 1.141 57.614 56.400 0.123 0.000 0.800 366 E CB -0.288 29.486 29.700 0.123 0.000 0.752 366 E HN 0.748 nan 8.360 nan 0.000 0.447 367 H N -0.778 118.332 119.070 0.066 0.000 2.293 367 H HA -0.210 4.346 4.556 0.000 0.000 0.300 367 H C 2.323 177.673 175.328 0.036 0.000 1.082 367 H CA 1.682 57.741 56.048 0.019 0.000 1.308 367 H CB -0.333 29.492 29.762 0.105 0.000 1.375 367 H HN 0.333 nan 8.280 nan 0.000 0.495 368 Y N 1.229 121.417 120.300 -0.188 0.000 2.497 368 Y HA -0.067 4.483 4.550 0.000 0.000 0.292 368 Y C 1.718 177.556 175.900 -0.104 0.000 1.137 368 Y CA 1.246 59.213 58.100 -0.222 0.000 1.285 368 Y CB -0.620 37.709 38.460 -0.218 0.000 0.991 368 Y HN 0.313 nan 8.280 nan 0.000 0.556 369 D N 0.696 120.847 120.400 -0.415 0.000 2.120 369 D HA -0.157 4.483 4.640 0.000 0.000 0.202 369 D C 2.023 178.156 176.300 -0.280 0.000 0.972 369 D CA 2.067 55.789 54.000 -0.463 0.000 0.837 369 D CB -0.176 40.475 40.800 -0.248 0.000 0.989 369 D HN 0.223 nan 8.370 nan 0.000 0.469 370 V N -1.279 118.509 119.914 -0.210 0.000 3.141 370 V HA 0.180 4.300 4.120 0.000 0.000 0.265 370 V C 2.144 178.124 176.094 -0.190 0.000 1.126 370 V CA 1.125 63.294 62.300 -0.218 0.000 1.141 370 V CB -0.925 30.701 31.823 -0.328 0.000 0.743 370 V HN 0.252 nan 8.190 nan 0.000 0.492 371 A N 0.778 123.509 122.820 -0.149 0.000 1.903 371 A HA 0.037 4.357 4.320 0.000 0.000 0.213 371 A C 2.410 179.928 177.584 -0.109 0.000 1.185 371 A CA 0.824 52.812 52.037 -0.081 0.000 0.628 371 A CB -0.333 18.656 19.000 -0.018 0.000 0.830 371 A HN 0.409 nan 8.150 nan 0.000 0.446 372 R N -0.329 120.064 120.500 -0.178 0.000 2.075 372 R HA -0.081 4.259 4.340 0.000 0.000 0.232 372 R C 2.291 178.510 176.300 -0.136 0.000 1.126 372 R CA 1.387 57.385 56.100 -0.170 0.000 0.963 372 R CB -1.297 28.849 30.300 -0.257 0.000 0.858 372 R HN 0.496 nan 8.270 nan 0.000 0.435 373 G N 0.350 109.059 108.800 -0.152 0.000 2.422 373 G HA2 -0.135 3.825 3.960 0.000 0.000 0.218 373 G HA3 -0.135 3.825 3.960 0.000 0.000 0.218 373 G C 1.560 176.390 174.900 -0.117 0.000 1.140 373 G CA 0.334 45.358 45.100 -0.127 0.000 0.775 373 G HN 0.134 nan 8.290 nan 0.000 0.545 374 V N 0.312 120.154 119.914 -0.121 0.000 2.323 374 V HA -0.166 3.954 4.120 0.000 0.000 0.244 374 V C 2.855 178.897 176.094 -0.087 0.000 1.041 374 V CA 2.059 64.289 62.300 -0.116 0.000 1.025 374 V CB -0.328 31.435 31.823 -0.099 0.000 0.656 374 V HN 0.405 nan 8.190 nan 0.000 0.451 375 Q N -0.457 119.306 119.800 -0.062 0.000 2.230 375 Q HA -0.182 4.159 4.340 0.000 0.000 0.202 375 Q C 2.220 178.202 176.000 -0.030 0.000 0.963 375 Q CA 1.234 57.018 55.803 -0.033 0.000 0.866 375 Q CB -0.118 28.606 28.738 -0.023 0.000 0.931 375 Q HN 0.582 nan 8.270 nan 0.000 0.452 376 K N 1.418 121.788 120.400 -0.050 0.000 1.973 376 K HA -0.175 4.145 4.320 0.000 0.000 0.212 376 K C 2.045 178.629 176.600 -0.027 0.000 1.047 376 K CA 1.257 57.519 56.287 -0.042 0.000 0.937 376 K CB -0.264 32.200 32.500 -0.059 0.000 0.721 376 K HN 0.212 nan 8.250 nan 0.000 0.440 377 I N 1.190 121.729 120.570 -0.052 0.000 2.194 377 I HA -0.311 3.859 4.170 0.000 0.000 0.246 377 I C 2.099 178.214 176.117 -0.005 0.000 1.093 377 I CA 1.293 62.560 61.300 -0.054 0.000 1.355 377 I CB -0.007 37.921 38.000 -0.120 0.000 1.046 377 I HN 0.305 nan 8.210 nan 0.000 0.413 378 L N 0.250 121.464 121.223 -0.014 0.000 2.083 378 L HA -0.253 4.087 4.340 0.000 0.000 0.209 378 L C 2.712 179.690 176.870 0.180 0.000 1.083 378 L CA 1.210 56.118 54.840 0.114 0.000 0.752 378 L CB -0.600 41.495 42.059 0.060 0.000 0.899 378 L HN 0.368 nan 8.230 nan 0.000 0.433 379 Q N 0.228 120.075 119.800 0.078 0.000 1.967 379 Q HA -0.215 4.126 4.340 0.000 0.000 0.202 379 Q C 1.785 177.817 176.000 0.054 0.000 0.985 379 Q CA 2.036 57.868 55.803 0.049 0.000 0.839 379 Q CB -0.449 28.298 28.738 0.014 0.000 0.906 379 Q HN 0.656 nan 8.270 nan 0.000 0.423 380 D N -0.743 119.689 120.400 0.053 0.000 2.309 380 D HA -0.192 4.448 4.640 0.000 0.000 0.212 380 D C 1.721 178.073 176.300 0.086 0.000 0.968 380 D CA 0.660 54.688 54.000 0.046 0.000 0.882 380 D CB -0.425 40.395 40.800 0.034 0.000 0.918 380 D HN 0.279 nan 8.370 nan 0.000 0.503 381 Y N 2.375 122.660 120.300 -0.025 0.000 2.184 381 Y HA -0.102 4.448 4.550 0.000 0.000 0.290 381 Y C 2.067 177.955 175.900 -0.020 0.000 1.129 381 Y CA 1.188 59.274 58.100 -0.023 0.000 1.144 381 Y CB -0.025 38.418 38.460 -0.029 0.000 0.995 381 Y HN -0.294 nan 8.280 nan 0.000 0.513 382 K N 0.146 120.507 120.400 -0.065 0.000 2.152 382 K HA -0.112 4.208 4.320 0.000 0.000 0.206 382 K C 2.203 178.725 176.600 -0.129 0.000 1.048 382 K CA 1.407 57.601 56.287 -0.155 0.000 0.933 382 K CB -0.600 31.867 32.500 -0.054 0.000 0.721 382 K HN 0.321 nan 8.250 nan 0.000 0.447 383 S N 1.642 117.300 115.700 -0.069 0.000 2.336 383 S HA -0.097 4.373 4.470 0.000 0.000 0.216 383 S C 2.069 176.631 174.600 -0.063 0.000 1.032 383 S CA 1.137 59.305 58.200 -0.054 0.000 0.973 383 S CB -0.415 62.769 63.200 -0.026 0.000 0.888 383 S HN 0.363 nan 8.310 nan 0.000 0.455 384 L N 1.891 123.086 121.223 -0.047 0.000 2.043 384 L HA -0.141 4.199 4.340 0.000 0.000 0.212 384 L C 2.235 179.061 176.870 -0.074 0.000 1.075 384 L CA 2.047 56.866 54.840 -0.035 0.000 0.752 384 L CB -1.339 40.727 42.059 0.013 0.000 0.891 384 L HN 0.253 nan 8.230 nan 0.000 0.432 385 Q N -1.006 118.697 119.800 -0.161 0.000 2.325 385 Q HA -0.293 4.047 4.340 0.000 0.000 0.211 385 Q C 1.212 177.141 176.000 -0.118 0.000 0.988 385 Q CA 2.246 57.930 55.803 -0.198 0.000 0.887 385 Q CB -0.005 28.510 28.738 -0.372 0.000 0.915 385 Q HN 0.834 nan 8.270 nan 0.000 0.440 386 D N -1.552 118.792 120.400 -0.094 0.000 3.081 386 D HA 0.140 4.780 4.640 0.000 0.000 0.243 386 D C 0.229 176.502 176.300 -0.046 0.000 1.388 386 D CA -0.243 53.719 54.000 -0.064 0.000 1.245 386 D CB 0.261 41.021 40.800 -0.066 0.000 1.319 386 D HN 0.012 nan 8.370 nan 0.000 0.377 387 I N 2.778 123.321 120.570 -0.045 0.000 2.932 387 I HA -0.047 4.123 4.170 0.000 0.000 0.295 387 I C 1.958 178.061 176.117 -0.023 0.000 1.227 387 I CA 0.634 61.916 61.300 -0.031 0.000 1.429 387 I CB 0.278 38.261 38.000 -0.029 0.000 1.339 387 I HN 0.436 nan 8.210 nan 0.000 0.589 388 I N 2.649 123.209 120.570 -0.017 0.000 4.773 388 I HA -0.456 3.714 4.170 0.000 0.000 0.042 388 I C 1.880 177.991 176.117 -0.010 0.000 0.630 388 I CA 1.862 63.156 61.300 -0.011 0.000 0.606 388 I CB -1.318 36.677 38.000 -0.008 0.000 0.584 388 I HN 0.678 nan 8.210 nan 0.000 0.154 389 A N 0.597 123.411 122.820 -0.011 0.000 2.014 389 A HA 0.215 4.535 4.320 0.000 0.000 0.218 389 A C 1.109 178.686 177.584 -0.012 0.000 1.163 389 A CA 1.311 53.343 52.037 -0.008 0.000 0.652 389 A CB -0.333 18.664 19.000 -0.005 0.000 0.808 389 A HN 0.609 nan 8.150 nan 0.000 0.449 390 I N -1.371 119.188 120.570 -0.018 0.000 7.686 390 I HA -0.341 3.829 4.170 0.000 0.000 0.126 390 I C 0.832 176.937 176.117 -0.020 0.000 1.840 390 I CA 0.163 61.451 61.300 -0.020 0.000 2.048 390 I CB -1.585 36.407 38.000 -0.014 0.000 3.688 390 I HN 0.534 nan 8.210 nan 0.000 0.172 391 L N 1.589 122.795 121.223 -0.029 0.000 3.640 391 L HA -0.286 4.054 4.340 0.000 0.000 0.053 391 L C 1.454 178.312 176.870 -0.020 0.000 4.284 391 L CA 1.740 56.562 54.840 -0.029 0.000 0.728 391 L CB -1.701 40.345 42.059 -0.022 0.000 3.467 391 L HN 0.825 nan 8.230 nan 0.000 0.808 392 G N 1.252 110.046 108.800 -0.011 0.000 2.178 392 G HA2 0.249 4.209 3.960 0.000 0.000 0.244 392 G HA3 0.249 4.209 3.960 0.000 0.000 0.244 392 G C 0.363 175.263 174.900 0.001 0.000 1.213 392 G CA 0.463 45.561 45.100 -0.003 0.000 0.912 392 G HN 0.495 nan 8.290 nan 0.000 0.474 393 M N 1.915 121.520 119.600 0.009 0.000 2.208 393 M HA 0.502 4.982 4.480 0.000 0.000 0.199 393 M C 1.161 177.473 176.300 0.019 0.000 0.987 393 M CA 0.605 55.916 55.300 0.019 0.000 1.703 393 M CB -0.156 32.465 32.600 0.035 0.000 1.054 393 M HN 0.514 nan 8.290 nan 0.000 0.830 394 D N -0.890 119.526 120.400 0.025 0.000 4.576 394 D HA -0.272 4.368 4.640 0.000 0.000 0.173 394 D C 0.619 176.929 176.300 0.018 0.000 0.703 394 D CA 2.282 56.295 54.000 0.022 0.000 1.532 394 D CB -0.952 39.858 40.800 0.018 0.000 0.951 394 D HN 0.933 nan 8.370 nan 0.000 0.488 395 E N -0.849 119.359 120.200 0.013 0.000 3.534 395 E HA -0.276 4.074 4.350 0.000 0.000 0.444 395 E C 0.800 177.407 176.600 0.010 0.000 1.628 395 E CA 2.137 58.543 56.400 0.010 0.000 1.458 395 E CB -1.060 28.645 29.700 0.007 0.000 1.419 395 E HN 0.547 nan 8.360 nan 0.000 0.418 396 L N -1.292 119.937 121.223 0.010 0.000 2.532 396 L HA 0.272 4.612 4.340 0.000 0.000 0.245 396 L C -0.033 176.844 176.870 0.012 0.000 1.319 396 L CA -0.075 54.771 54.840 0.010 0.000 1.365 396 L CB 1.266 43.329 42.059 0.007 0.000 1.736 396 L HN 0.560 nan 8.230 nan 0.000 0.517 397 S N 1.179 116.885 115.700 0.010 0.000 3.267 397 S HA -0.149 4.321 4.470 0.000 0.000 0.389 397 S C 0.894 175.503 174.600 0.015 0.000 0.863 397 S CA 0.482 58.689 58.200 0.011 0.000 1.354 397 S CB -0.536 62.670 63.200 0.010 0.000 1.008 397 S HN 0.643 nan 8.310 nan 0.000 0.602 398 E N 1.668 121.876 120.200 0.014 0.000 2.409 398 E HA -0.061 4.289 4.350 0.000 0.000 0.198 398 E C 0.951 177.560 176.600 0.015 0.000 1.024 398 E CA 0.637 57.047 56.400 0.017 0.000 0.861 398 E CB 0.107 29.815 29.700 0.014 0.000 0.788 398 E HN 0.824 nan 8.360 nan 0.000 0.521 407 A N 2.589 125.190 122.820 -0.365 0.000 1.845 407 A HA -0.089 4.231 4.320 0.000 0.000 0.215 407 A C 2.037 179.336 177.584 -0.476 0.000 1.195 407 A CA 1.500 53.189 52.037 -0.581 0.000 0.616 407 A CB -0.508 17.800 19.000 -1.154 0.000 0.832 407 A HN 0.190 nan 8.150 nan 0.000 0.443 408 R N -0.161 120.141 120.500 -0.331 0.000 2.139 408 R HA -0.138 4.202 4.340 0.000 0.000 0.243 408 R C 2.040 178.283 176.300 -0.094 0.000 1.145 408 R CA 1.367 57.429 56.100 -0.064 0.000 0.976 408 R CB -0.420 29.920 30.300 0.067 0.000 0.866 408 R HN 0.501 nan 8.270 nan 0.000 0.449 409 K N 0.698 120.985 120.400 -0.189 0.000 1.967 409 K HA -0.067 4.253 4.320 0.000 0.000 0.212 409 K C 2.256 178.557 176.600 -0.499 0.000 1.044 409 K CA 1.139 57.260 56.287 -0.277 0.000 0.942 409 K CB -0.460 31.828 32.500 -0.352 0.000 0.726 409 K HN 0.116 nan 8.250 nan 0.000 0.440 410 I N 1.618 121.792 120.570 -0.661 0.000 2.381 410 I HA -0.323 3.847 4.170 0.000 0.000 0.255 410 I C 2.750 178.742 176.117 -0.210 0.000 1.140 410 I CA 1.258 62.205 61.300 -0.589 0.000 1.404 410 I CB -0.282 37.482 38.000 -0.393 0.000 1.075 410 I HN 0.327 nan 8.210 nan 0.000 0.433 411 Q N 0.547 120.246 119.800 -0.168 0.000 2.167 411 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 411 Q C 2.181 178.157 176.000 -0.041 0.000 0.970 411 Q CA 1.027 56.794 55.803 -0.059 0.000 0.855 411 Q CB 0.177 28.915 28.738 0.000 0.000 0.911 411 Q HN 0.376 nan 8.270 nan 0.000 0.438 412 R N -0.559 119.914 120.500 -0.046 0.000 2.153 412 R HA -0.041 4.299 4.340 0.000 0.000 0.218 412 R C 1.898 178.183 176.300 -0.026 0.000 1.072 412 R CA 0.546 56.598 56.100 -0.080 0.000 0.990 412 R CB -0.638 29.629 30.300 -0.055 0.000 0.889 412 R HN 0.254 nan 8.270 nan 0.000 0.452 413 F N 1.282 121.065 119.950 -0.277 0.000 2.075 413 F HA -0.083 4.444 4.527 0.000 0.000 0.297 413 F C 1.942 177.651 175.800 -0.151 0.000 1.113 413 F CA 1.016 58.862 58.000 -0.256 0.000 1.218 413 F CB -0.760 38.135 39.000 -0.175 0.000 0.984 413 F HN -0.123 nan 8.300 nan 0.000 0.472 414 L N -0.969 120.326 121.223 0.120 0.000 2.645 414 L HA 0.034 4.374 4.340 0.000 0.000 0.235 414 L C 1.187 178.069 176.870 0.020 0.000 1.150 414 L CA 0.319 55.198 54.840 0.065 0.000 0.911 414 L CB -0.634 41.470 42.059 0.075 0.000 1.077 414 L HN -0.091 nan 8.230 nan 0.000 0.438 415 S N -0.294 115.382 115.700 -0.041 0.000 2.602 415 S HA 0.022 4.492 4.470 0.000 0.000 0.246 415 S C 0.637 175.167 174.600 -0.116 0.000 1.009 415 S CA -0.363 57.778 58.200 -0.099 0.000 1.052 415 S CB -0.318 62.756 63.200 -0.210 0.000 0.778 415 S HN 0.421 nan 8.310 nan 0.000 0.455 416 Q N 2.403 122.181 119.800 -0.038 0.000 2.557 416 Q HA -0.049 4.291 4.340 0.000 0.000 0.316 416 Q C -2.068 173.852 176.000 -0.133 0.000 1.130 416 Q CA -0.556 55.245 55.803 -0.002 0.000 1.065 416 Q CB 0.523 29.339 28.738 0.130 0.000 1.014 416 Q HN 0.157 nan 8.270 nan 0.000 0.397 417 P HA -0.079 nan 4.420 nan 0.000 0.233 417 P C -0.210 176.676 177.300 -0.690 0.000 1.167 417 P CA 0.241 63.039 63.100 -0.504 0.000 0.770 417 P CB -0.334 31.170 31.700 -0.326 0.000 0.837 418 F N -1.164 118.811 119.950 0.041 0.000 1.389 418 F HA -0.361 4.166 4.527 0.000 0.000 0.067 418 F C 1.889 177.727 175.800 0.064 0.000 0.136 418 F CA 0.929 58.958 58.000 0.048 0.000 0.287 418 F CB -1.586 37.437 39.000 0.039 0.000 0.713 418 F HN -0.068 nan 8.300 nan 0.000 0.665 419 Q N 0.220 120.343 119.800 0.539 0.000 1.917 419 Q HA -0.064 4.277 4.340 0.000 0.000 0.205 419 Q C 1.669 177.868 176.000 0.331 0.000 0.988 419 Q CA 2.547 58.543 55.803 0.321 0.000 0.851 419 Q CB -0.758 28.092 28.738 0.186 0.000 0.916 419 Q HN 0.558 nan 8.270 nan 0.000 0.424 420 V N 0.956 121.107 119.914 0.395 0.000 3.244 420 V HA -0.193 3.927 4.120 0.000 0.000 0.273 420 V C 1.388 177.664 176.094 0.303 0.000 1.180 420 V CA 1.418 63.904 62.300 0.309 0.000 1.182 420 V CB -1.042 30.949 31.823 0.280 0.000 0.796 420 V HN 0.513 nan 8.190 nan 0.000 0.543 421 A N -1.326 121.657 122.820 0.272 0.000 2.500 421 A HA 0.235 4.555 4.320 0.000 0.000 0.267 421 A C 1.788 179.500 177.584 0.213 0.000 1.290 421 A CA -0.140 52.003 52.037 0.177 0.000 0.928 421 A CB -0.108 18.808 19.000 -0.141 0.000 1.066 421 A HN 0.490 nan 8.150 nan 0.000 0.516 422 E N -0.021 120.284 120.200 0.175 0.000 2.072 422 E HA -0.137 4.213 4.350 0.000 0.000 0.191 422 E C 1.789 178.435 176.600 0.077 0.000 0.985 422 E CA 1.576 58.053 56.400 0.128 0.000 0.801 422 E CB -0.134 29.619 29.700 0.089 0.000 0.750 422 E HN 0.606 nan 8.360 nan 0.000 0.452 423 V N -1.010 118.908 119.914 0.006 0.000 3.244 423 V HA -0.186 3.934 4.120 0.000 0.000 0.273 423 V C 1.252 177.057 176.094 -0.482 0.000 1.180 423 V CA 1.284 63.459 62.300 -0.208 0.000 1.182 423 V CB -0.976 30.678 31.823 -0.281 0.000 0.796 423 V HN 0.113 nan 8.190 nan 0.000 0.543 424 F N 1.259 121.214 119.950 0.007 0.000 2.536 424 F HA 0.243 4.770 4.527 0.000 0.000 0.278 424 F C 1.782 177.606 175.800 0.040 0.000 0.945 424 F CA 1.190 59.193 58.000 0.005 0.000 1.244 424 F CB -0.079 38.900 39.000 -0.034 0.000 1.118 424 F HN 0.234 nan 8.300 nan 0.000 0.725 425 T N -2.603 112.097 114.554 0.243 0.000 3.672 425 T HA 0.445 4.795 4.350 0.000 0.000 0.296 425 T C 1.093 175.913 174.700 0.199 0.000 0.979 425 T CA -0.020 62.220 62.100 0.234 0.000 1.013 425 T CB 0.189 69.250 68.868 0.322 0.000 1.184 425 T HN 0.503 nan 8.240 nan 0.000 0.477 426 G N 1.850 110.716 108.800 0.110 0.000 2.322 426 G HA2 -0.329 3.631 3.960 0.000 0.000 0.264 426 G HA3 -0.329 3.631 3.960 0.000 0.000 0.264 426 G C 0.203 175.119 174.900 0.027 0.000 0.992 426 G CA 0.396 45.520 45.100 0.039 0.000 0.624 426 G HN 0.764 nan 8.290 nan 0.000 0.543 427 H N 0.353 119.446 119.070 0.038 0.000 3.034 427 H HA 0.361 4.917 4.556 0.000 0.000 0.324 427 H C 0.993 176.341 175.328 0.034 0.000 1.015 427 H CA 1.042 57.107 56.048 0.028 0.000 1.429 427 H CB 0.335 30.103 29.762 0.010 0.000 1.429 427 H HN 0.388 nan 8.280 nan 0.000 0.585 428 M N -0.229 119.441 119.600 0.117 0.000 2.852 428 M HA 0.267 4.747 4.480 0.000 0.000 0.301 428 M C 1.229 177.605 176.300 0.127 0.000 1.229 428 M CA -0.742 54.623 55.300 0.108 0.000 0.832 428 M CB 1.014 33.653 32.600 0.063 0.000 1.726 428 M HN 0.660 nan 8.290 nan 0.000 0.497 429 G N 2.317 111.197 108.800 0.133 0.000 2.186 429 G HA2 -0.156 3.804 3.960 0.000 0.000 0.281 429 G HA3 -0.156 3.804 3.960 0.000 0.000 0.281 429 G C -0.069 174.907 174.900 0.127 0.000 0.554 429 G CA 0.377 45.563 45.100 0.144 0.000 1.846 429 G HN 0.370 nan 8.290 nan 0.000 0.523 430 K N 0.658 121.153 120.400 0.158 0.000 2.363 430 K HA 0.380 4.700 4.320 0.000 0.000 0.289 430 K C 0.724 177.396 176.600 0.120 0.000 1.063 430 K CA 0.252 56.605 56.287 0.110 0.000 0.967 430 K CB 0.706 33.264 32.500 0.096 0.000 0.987 430 K HN 0.416 nan 8.250 nan 0.000 0.473 431 L N 0.757 122.012 121.223 0.054 0.000 3.272 431 L HA 0.294 4.634 4.340 0.000 0.000 0.222 431 L C -0.391 176.469 176.870 -0.017 0.000 1.801 431 L CA -1.062 53.793 54.840 0.026 0.000 2.072 431 L CB 0.245 42.319 42.059 0.024 0.000 1.990 431 L HN 0.135 nan 8.230 nan 0.000 0.599 432 V N 1.748 121.650 119.914 -0.020 0.000 3.346 432 V HA -0.089 4.031 4.120 0.000 0.000 0.477 432 V C -2.346 173.719 176.094 -0.049 0.000 0.682 432 V CA -0.554 61.725 62.300 -0.035 0.000 2.016 432 V CB -0.913 30.882 31.823 -0.047 0.000 2.468 432 V HN 0.615 nan 8.190 nan 0.000 0.500 433 P HA 0.188 nan 4.420 nan 0.000 0.245 433 P C 1.236 178.506 177.300 -0.049 0.000 1.347 433 P CA 0.855 63.933 63.100 -0.038 0.000 1.314 433 P CB 0.271 31.959 31.700 -0.020 0.000 1.679 434 L N -0.682 120.498 121.223 -0.073 0.000 3.832 434 L HA -0.472 3.868 4.340 0.000 0.000 0.359 434 L C 2.263 179.062 176.870 -0.119 0.000 2.750 434 L CA 2.272 57.055 54.840 -0.095 0.000 2.342 434 L CB -1.895 40.132 42.059 -0.053 0.000 2.206 434 L HN 0.280 nan 8.230 nan 0.000 0.725 435 K N -0.175 120.177 120.400 -0.080 0.000 2.227 435 K HA -0.341 3.979 4.320 0.000 0.000 0.199 435 K C 0.801 177.338 176.600 -0.105 0.000 0.720 435 K CA 2.708 58.950 56.287 -0.075 0.000 1.122 435 K CB -0.384 32.075 32.500 -0.067 0.000 0.940 435 K HN 0.479 nan 8.250 nan 0.000 0.659 436 E N 0.198 120.311 120.200 -0.145 0.000 2.511 436 E HA 0.065 4.415 4.350 0.000 0.000 0.214 436 E C 0.991 177.397 176.600 -0.324 0.000 1.062 436 E CA 0.604 56.895 56.400 -0.181 0.000 1.213 436 E CB 0.757 30.374 29.700 -0.138 0.000 1.214 436 E HN 0.630 nan 8.360 nan 0.000 0.441 437 T N -2.420 111.864 114.554 -0.450 0.000 2.857 437 T HA 0.047 4.397 4.350 0.000 0.000 0.266 437 T C 1.424 175.443 174.700 -1.134 0.000 1.048 437 T CA 0.124 61.646 62.100 -0.964 0.000 1.139 437 T CB 0.128 68.356 68.868 -1.066 0.000 0.874 437 T HN 0.085 nan 8.240 nan 0.000 0.455 438 I N 1.958 122.242 120.570 -0.476 0.000 3.094 438 I HA -0.055 4.115 4.170 0.000 0.000 0.291 438 I C 1.609 177.691 176.117 -0.058 0.000 1.250 438 I CA 0.374 61.631 61.300 -0.072 0.000 1.401 438 I CB 0.345 38.358 38.000 0.021 0.000 1.343 438 I HN 0.373 nan 8.210 nan 0.000 0.599 439 K N 2.759 123.221 120.400 0.102 0.000 11.134 439 K HA -0.276 4.044 4.320 0.000 0.000 0.527 439 K C 1.256 177.933 176.600 0.129 0.000 0.391 439 K CA 1.871 58.222 56.287 0.107 0.000 1.928 439 K CB -1.950 30.581 32.500 0.052 0.000 0.781 439 K HN 0.965 nan 8.250 nan 0.000 1.243 440 G N 1.847 110.643 108.800 -0.006 0.000 2.896 440 G HA2 -0.346 3.614 3.960 0.000 0.000 0.225 440 G HA3 -0.346 3.614 3.960 0.000 0.000 0.225 440 G C 1.448 176.559 174.900 0.350 0.000 1.265 440 G CA 3.018 48.130 45.100 0.021 0.000 0.778 440 G HN 0.583 nan 8.290 nan 0.000 0.714 441 F N 1.195 121.297 119.950 0.254 0.000 2.192 441 F HA -0.079 4.448 4.527 0.000 0.000 0.301 441 F C 2.563 178.432 175.800 0.115 0.000 1.079 441 F CA 1.603 59.790 58.000 0.313 0.000 1.303 441 F CB -1.545 37.597 39.000 0.237 0.000 1.024 441 F HN 0.362 nan 8.300 nan 0.000 0.494 442 Q N 0.230 120.395 119.800 0.609 0.000 2.084 442 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 442 Q C 2.278 178.372 176.000 0.157 0.000 0.978 442 Q CA 1.539 57.462 55.803 0.200 0.000 0.844 442 Q CB -0.324 28.551 28.738 0.227 0.000 0.898 442 Q HN 0.491 nan 8.270 nan 0.000 0.426 443 Q N 0.562 120.494 119.800 0.221 0.000 1.985 443 Q HA -0.204 4.136 4.340 0.000 0.000 0.207 443 Q C 2.276 178.356 176.000 0.134 0.000 0.996 443 Q CA 1.225 57.143 55.803 0.192 0.000 0.851 443 Q CB -0.521 28.368 28.738 0.251 0.000 0.921 443 Q HN 0.386 nan 8.270 nan 0.000 0.418 444 I N 1.002 121.636 120.570 0.106 0.000 2.093 444 I HA -0.355 3.815 4.170 0.000 0.000 0.239 444 I C 2.620 178.716 176.117 -0.036 0.000 1.026 444 I CA 1.612 62.899 61.300 -0.022 0.000 1.295 444 I CB -1.559 36.293 38.000 -0.247 0.000 1.007 444 I HN 0.216 nan 8.210 nan 0.000 0.401 445 L N 0.401 121.590 121.223 -0.056 0.000 2.013 445 L HA -0.216 4.124 4.340 0.000 0.000 0.212 445 L C 2.632 179.483 176.870 -0.030 0.000 1.073 445 L CA 1.718 56.518 54.840 -0.066 0.000 0.753 445 L CB -0.641 41.365 42.059 -0.089 0.000 0.890 445 L HN 0.304 nan 8.230 nan 0.000 0.432 446 A N -1.425 121.396 122.820 0.002 0.000 2.119 446 A HA 0.237 4.557 4.320 0.000 0.000 0.216 446 A C 1.888 179.487 177.584 0.025 0.000 1.152 446 A CA 1.205 53.249 52.037 0.013 0.000 0.708 446 A CB -0.224 18.793 19.000 0.029 0.000 0.805 446 A HN 0.579 nan 8.150 nan 0.000 0.460 447 G N -0.761 108.062 108.800 0.039 0.000 2.436 447 G HA2 -0.187 3.773 3.960 0.000 0.000 0.204 447 G HA3 -0.187 3.773 3.960 0.000 0.000 0.204 447 G C -0.210 174.750 174.900 0.099 0.000 1.026 447 G CA -0.035 45.097 45.100 0.053 0.000 0.658 447 G HN 0.451 nan 8.290 nan 0.000 0.499 448 D N 0.030 120.499 120.400 0.115 0.000 2.629 448 D HA 0.306 4.947 4.640 0.000 0.000 0.228 448 D C 0.915 177.392 176.300 0.296 0.000 1.127 448 D CA 0.943 55.044 54.000 0.168 0.000 0.855 448 D CB -0.026 40.878 40.800 0.174 0.000 1.180 448 D HN 0.446 nan 8.370 nan 0.000 0.484 449 Y N -0.668 119.719 120.300 0.145 0.000 4.879 449 Y HA -0.329 4.221 4.550 0.000 0.000 0.235 449 Y C 0.281 176.334 175.900 0.254 0.000 0.988 449 Y CA 1.459 59.682 58.100 0.205 0.000 1.960 449 Y CB -0.889 37.675 38.460 0.174 0.000 1.534 449 Y HN 0.566 nan 8.280 nan 0.000 0.550 450 D N 0.259 120.885 120.400 0.376 0.000 2.380 450 D HA 0.191 4.831 4.640 0.000 0.000 0.230 450 D C 0.930 177.427 176.300 0.329 0.000 1.154 450 D CA 0.890 55.055 54.000 0.275 0.000 0.859 450 D CB 0.171 41.059 40.800 0.146 0.000 1.045 450 D HN 0.710 nan 8.370 nan 0.000 0.495 451 H N 2.362 121.512 119.070 0.133 0.000 2.289 451 H HA -0.015 4.541 4.556 0.000 0.000 0.154 451 H C -0.176 175.216 175.328 0.107 0.000 1.027 451 H CA -0.325 55.782 56.048 0.099 0.000 0.677 451 H CB -0.607 29.200 29.762 0.075 0.000 0.644 451 H HN 0.209 nan 8.280 nan 0.000 0.446 452 L N 4.981 126.071 121.223 -0.222 0.000 2.737 452 L HA 0.099 4.439 4.340 0.000 0.000 0.275 452 L C -1.796 175.081 176.870 0.013 0.000 1.179 452 L CA -0.486 54.261 54.840 -0.155 0.000 0.970 452 L CB -0.257 41.749 42.059 -0.088 0.000 1.268 452 L HN 0.018 nan 8.230 nan 0.000 0.485 453 P HA -0.196 nan 4.420 nan 0.000 0.067 453 P C 0.545 177.891 177.300 0.077 0.000 0.625 453 P CA 0.676 63.809 63.100 0.054 0.000 1.069 453 P CB -0.244 31.480 31.700 0.041 0.000 1.688 454 E N 0.409 120.665 120.200 0.093 0.000 3.444 454 E HA -0.386 3.964 4.350 0.000 0.000 0.457 454 E C 1.191 177.883 176.600 0.153 0.000 1.618 454 E CA 1.896 58.362 56.400 0.110 0.000 1.237 454 E CB -1.220 28.530 29.700 0.083 0.000 1.327 454 E HN 0.494 nan 8.360 nan 0.000 0.428 455 Q N 0.123 119.998 119.800 0.125 0.000 2.561 455 Q HA -0.013 4.327 4.340 0.000 0.000 0.217 455 Q C 1.910 178.031 176.000 0.201 0.000 0.980 455 Q CA 0.732 56.627 55.803 0.154 0.000 0.927 455 Q CB -0.007 28.732 28.738 0.002 0.000 0.980 455 Q HN 0.467 nan 8.270 nan 0.000 0.525 456 A N 0.476 123.397 122.820 0.169 0.000 2.125 456 A HA -0.119 4.201 4.320 0.000 0.000 0.219 456 A C 0.641 178.367 177.584 0.238 0.000 1.156 456 A CA 0.733 52.855 52.037 0.143 0.000 0.671 456 A CB 0.029 19.073 19.000 0.073 0.000 0.794 456 A HN 0.282 nan 8.150 nan 0.000 0.459 457 F N -0.758 119.273 119.950 0.137 0.000 2.660 457 F HA 0.478 5.005 4.527 0.000 0.000 0.352 457 F C -0.114 175.814 175.800 0.212 0.000 1.257 457 F CA -2.115 55.976 58.000 0.152 0.000 1.200 457 F CB 0.373 39.465 39.000 0.153 0.000 1.473 457 F HN 0.238 nan 8.300 nan 0.000 0.561 458 Y N 4.001 124.476 120.300 0.292 0.000 2.763 458 Y HA 0.250 4.800 4.550 0.000 0.000 0.230 458 Y C 1.611 177.564 175.900 0.088 0.000 1.030 458 Y CA 0.777 58.960 58.100 0.139 0.000 1.462 458 Y CB 0.135 38.661 38.460 0.110 0.000 1.299 458 Y HN 0.192 nan 8.280 nan 0.000 0.491 459 M N 2.456 122.073 119.600 0.029 0.000 3.376 459 M HA 0.496 4.976 4.480 0.000 0.000 0.218 459 M C -1.214 175.104 176.300 0.029 0.000 1.295 459 M CA -0.093 55.128 55.300 -0.131 0.000 1.386 459 M CB -0.871 31.738 32.600 0.015 0.000 1.205 459 M HN 0.062 nan 8.290 nan 0.000 0.496 460 V N -3.984 115.943 119.914 0.021 0.000 3.253 460 V HA 0.911 5.031 4.120 0.000 0.000 0.300 460 V C 0.046 176.075 176.094 -0.108 0.000 1.398 460 V CA -0.242 62.099 62.300 0.068 0.000 1.067 460 V CB 1.104 33.076 31.823 0.249 0.000 1.102 460 V HN 0.300 nan 8.190 nan 0.000 0.455 461 G N -0.921 107.787 108.800 -0.152 0.000 2.732 461 G HA2 0.410 4.370 3.960 0.000 0.000 0.206 461 G HA3 0.410 4.370 3.960 0.000 0.000 0.206 461 G C -2.384 172.135 174.900 -0.635 0.000 1.253 461 G CA -0.417 44.427 45.100 -0.426 0.000 0.796 461 G HN 0.644 nan 8.290 nan 0.000 0.616 462 P HA 0.084 nan 4.420 nan 0.000 0.260 462 P C 0.995 178.292 177.300 -0.005 0.000 1.185 462 P CA 0.036 62.981 63.100 -0.258 0.000 0.763 462 P CB 0.900 32.515 31.700 -0.142 0.000 0.776 463 I N 3.288 123.774 120.570 -0.141 0.000 2.479 463 I HA -0.348 3.822 4.170 0.000 0.000 0.258 463 I C 1.155 177.203 176.117 -0.116 0.000 1.165 463 I CA 1.753 63.075 61.300 0.038 0.000 1.422 463 I CB 0.149 38.049 38.000 -0.167 0.000 1.087 463 I HN 0.353 nan 8.210 nan 0.000 0.441 464 E N 0.768 120.904 120.200 -0.107 0.000 2.338 464 E HA -0.179 4.171 4.350 0.000 0.000 0.197 464 E C 1.219 177.744 176.600 -0.125 0.000 1.007 464 E CA 0.926 57.264 56.400 -0.104 0.000 0.849 464 E CB -0.107 29.552 29.700 -0.069 0.000 0.774 464 E HN 0.624 nan 8.360 nan 0.000 0.506 465 E N -0.175 119.935 120.200 -0.150 0.000 2.451 465 E HA 0.254 4.604 4.350 0.000 0.000 0.194 465 E C 1.107 177.261 176.600 -0.743 0.000 1.027 465 E CA 0.136 56.382 56.400 -0.256 0.000 0.914 465 E CB 0.629 30.302 29.700 -0.045 0.000 1.054 465 E HN 0.241 nan 8.360 nan 0.000 0.461 466 A N 0.579 122.857 122.820 -0.902 0.000 1.887 466 A HA -0.021 4.299 4.320 0.000 0.000 0.212 466 A C 2.168 179.503 177.584 -0.414 0.000 1.198 466 A CA 0.601 52.018 52.037 -1.033 0.000 0.628 466 A CB -0.012 18.635 19.000 -0.589 0.000 0.847 466 A HN 0.147 nan 8.150 nan 0.000 0.449 467 V N -0.558 119.228 119.914 -0.213 0.000 3.354 467 V HA 0.107 4.227 4.120 0.000 0.000 0.258 467 V C 2.330 178.373 176.094 -0.086 0.000 1.159 467 V CA 1.143 63.394 62.300 -0.081 0.000 1.125 467 V CB -0.319 31.523 31.823 0.033 0.000 0.774 467 V HN 0.518 nan 8.190 nan 0.000 0.464 468 A N -0.620 122.127 122.820 -0.123 0.000 2.278 468 A HA 0.133 4.453 4.320 0.000 0.000 0.212 468 A C 1.983 179.512 177.584 -0.093 0.000 1.213 468 A CA 0.633 52.618 52.037 -0.087 0.000 0.840 468 A CB -0.053 18.901 19.000 -0.076 0.000 0.866 468 A HN 0.268 nan 8.150 nan 0.000 0.489 469 K N -1.334 118.988 120.400 -0.129 0.000 2.548 469 K HA 0.287 4.607 4.320 0.000 0.000 0.209 469 K C 1.675 178.228 176.600 -0.077 0.000 1.420 469 K CA 0.904 57.132 56.287 -0.099 0.000 0.985 469 K CB -0.106 32.311 32.500 -0.139 0.000 1.249 469 K HN 0.232 nan 8.250 nan 0.000 0.557 470 A N 2.137 124.899 122.820 -0.097 0.000 2.024 470 A HA -0.208 4.112 4.320 0.000 0.000 0.220 470 A C 1.396 178.961 177.584 -0.032 0.000 1.164 470 A CA 2.292 54.292 52.037 -0.061 0.000 0.643 470 A CB -0.555 18.408 19.000 -0.061 0.000 0.806 470 A HN 0.562 nan 8.150 nan 0.000 0.451 471 D N -0.341 120.039 120.400 -0.034 0.000 2.103 471 D HA -0.108 4.532 4.640 0.000 0.000 0.199 471 D C 1.745 178.036 176.300 -0.015 0.000 0.978 471 D CA 1.385 55.373 54.000 -0.021 0.000 0.829 471 D CB -0.368 40.419 40.800 -0.021 0.000 0.981 471 D HN 0.341 nan 8.370 nan 0.000 0.464 472 K N -0.582 119.807 120.400 -0.018 0.000 1.987 472 K HA -0.011 4.309 4.320 0.000 0.000 0.216 472 K C 0.002 176.601 176.600 -0.000 0.000 1.051 472 K CA 0.888 57.170 56.287 -0.008 0.000 0.942 472 K CB -0.278 32.218 32.500 -0.006 0.000 0.722 472 K HN 0.067 nan 8.250 nan 0.000 0.444 473 L N 0.698 121.921 121.223 -0.000 0.000 2.313 473 L HA 0.389 4.729 4.340 0.000 0.000 0.273 473 L C -0.722 176.151 176.870 0.005 0.000 1.028 473 L CA -0.319 54.525 54.840 0.008 0.000 0.871 473 L CB 0.886 42.955 42.059 0.017 0.000 1.242 473 L HN 0.148 nan 8.230 nan 0.000 0.434 474 A N 3.111 125.935 122.820 0.007 0.000 2.293 474 A HA 0.812 5.132 4.320 0.000 0.000 0.302 474 A C -0.384 177.212 177.584 0.020 0.000 1.119 474 A CA -0.412 51.630 52.037 0.009 0.000 0.823 474 A CB 0.564 19.568 19.000 0.007 0.000 1.097 474 A HN 0.656 nan 8.150 nan 0.000 0.491 475 E N 0.784 121.000 120.200 0.026 0.000 2.502 475 E HA 0.651 5.001 4.350 0.000 0.000 0.261 475 E C -0.900 175.728 176.600 0.047 0.000 0.974 475 E CA -0.432 55.990 56.400 0.037 0.000 0.795 475 E CB 1.112 30.834 29.700 0.036 0.000 1.385 475 E HN 0.516 nan 8.360 nan 0.000 0.400 476 E N 0.853 121.090 120.200 0.060 0.000 2.421 476 E HA 0.575 4.925 4.350 0.000 0.000 0.276 476 E C -1.676 175.011 176.600 0.145 0.000 1.154 476 E CA -0.535 55.912 56.400 0.079 0.000 0.883 476 E CB 0.908 30.639 29.700 0.051 0.000 1.429 476 E HN 0.490 nan 8.360 nan 0.000 0.436 477 H N 0.000 119.077 119.070 0.012 0.000 2.539 477 H HA 0.000 4.556 4.556 0.000 0.000 0.296 477 H CA 0.000 56.053 56.048 0.009 0.000 1.023 477 H CB 0.000 29.767 29.762 0.008 0.000 1.292 477 H HN 0.000 nan 8.280 nan 0.000 0.496