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 3hwk_1_D DATA FIRST_RESID 27 DATA SEQUENCE DIKKGLAGVV VDTTAISKVV PQTNSLTYRG YPVQDLAARC SFEQVAFLLW DATA SEQUENCE RGELPTDAEL ALFSQRERAS RRVDRSMLSL LAKLPDNCHP MDVVRTAISY DATA SEQUENCE LGAEDPDEDD AAANRAKAMR MMAVLPTIVA IDMRRRRGLP PIAPHSGLGY DATA SEQUENCE AQNFLHMCFG EVPETAVVSA FEQSMILYAE HGFNASTFAA RVVTSTQSDI DATA SEQUENCE YSAVTGAIGA LKGRLHGGAN EAVMHDMIEI GDPANAREWL RAKLARKEKI DATA SEQUENCE MGFGHRVYRH GDSRVPTMKR ALERVGTVRD GQRWLDIYQV LAAEMASATG DATA SEQUENCE ILPNLDFPTG PAYYLMGFDI ASFTPIFVMS RITGWTAHIM EQATANALIR DATA SEQUENCE PLSAYCGHEQ RVLPG 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.306 176.300 0.009 0.000 2.045 27 D CA 0.000 54.005 54.000 0.008 0.000 0.868 27 D CB 0.000 40.804 40.800 0.007 0.000 0.688 28 I N 3.304 123.879 120.570 0.008 0.000 2.312 28 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 28 I C 0.695 176.814 176.117 0.005 0.000 1.031 28 I CA -0.502 60.803 61.300 0.008 0.000 1.293 28 I CB 0.960 38.965 38.000 0.008 0.000 1.403 28 I HN -0.027 nan 8.210 nan 0.000 0.484 29 K N 6.578 126.982 120.400 0.006 0.000 2.778 29 K HA 0.209 4.529 4.320 -0.000 0.000 0.238 29 K C -0.091 176.509 176.600 -0.000 0.000 1.233 29 K CA -0.528 55.759 56.287 0.000 0.000 1.195 29 K CB -0.060 32.440 32.500 0.000 0.000 1.743 29 K HN 0.369 nan 8.250 nan 0.000 0.418 30 K N 0.471 120.870 120.400 -0.001 0.000 2.466 30 K HA -0.048 4.272 4.320 -0.000 0.000 0.278 30 K C 0.953 177.547 176.600 -0.009 0.000 1.048 30 K CA 1.016 57.302 56.287 -0.001 0.000 1.088 30 K CB 0.214 32.712 32.500 -0.003 0.000 0.884 30 K HN 0.809 nan 8.250 nan 0.000 0.478 31 G N 3.203 112.000 108.800 -0.006 0.000 2.162 31 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 31 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 31 G C 0.510 175.383 174.900 -0.045 0.000 0.976 31 G CA 0.153 45.242 45.100 -0.019 0.000 0.655 31 G HN 0.738 nan 8.290 nan 0.000 0.533 32 L N -2.430 118.770 121.223 -0.039 0.000 3.970 32 L HA -0.253 4.087 4.340 -0.000 0.000 0.425 32 L C 1.536 178.361 176.870 -0.074 0.000 1.162 32 L CA 0.477 55.278 54.840 -0.065 0.000 0.968 32 L CB -2.034 39.947 42.059 -0.130 0.000 1.896 32 L HN 1.478 nan 8.230 nan 0.000 1.006 33 A N 0.363 123.151 122.820 -0.054 0.000 2.522 33 A HA 0.423 4.743 4.320 -0.000 0.000 0.256 33 A C 1.591 179.149 177.584 -0.045 0.000 1.086 33 A CA 0.970 52.977 52.037 -0.051 0.000 0.763 33 A CB 0.210 19.188 19.000 -0.037 0.000 1.024 33 A HN 1.289 nan 8.150 nan 0.000 0.502 34 G N 1.369 110.139 108.800 -0.051 0.000 2.179 34 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.260 34 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.260 34 G C 0.244 175.118 174.900 -0.043 0.000 0.977 34 G CA 0.196 45.270 45.100 -0.043 0.000 0.641 34 G HN 1.437 nan 8.290 nan 0.000 0.533 35 V N 1.507 121.392 119.914 -0.049 0.000 2.461 35 V HA 0.468 4.588 4.120 -0.000 0.000 0.275 35 V C 0.841 176.908 176.094 -0.046 0.000 1.047 35 V CA -0.537 61.739 62.300 -0.040 0.000 0.955 35 V CB 1.716 33.518 31.823 -0.035 0.000 0.988 35 V HN 0.254 nan 8.190 nan 0.000 0.471 36 V N 6.028 125.924 119.914 -0.029 0.000 2.368 36 V HA 0.164 4.284 4.120 -0.000 0.000 0.266 36 V C 0.734 176.841 176.094 0.022 0.000 1.045 36 V CA 0.217 62.501 62.300 -0.027 0.000 0.899 36 V CB 1.317 33.120 31.823 -0.034 0.000 1.006 36 V HN 0.717 nan 8.190 nan 0.000 0.470 37 V N 3.287 123.245 119.914 0.073 0.000 3.565 37 V HA 0.269 4.388 4.120 -0.000 0.000 0.260 37 V C 0.359 176.584 176.094 0.219 0.000 1.231 37 V CA 1.198 63.584 62.300 0.144 0.000 1.100 37 V CB 0.466 32.379 31.823 0.149 0.000 0.807 37 V HN 1.008 nan 8.190 nan 0.000 0.454 38 D N -2.258 118.296 120.400 0.257 0.000 2.809 38 D HA 0.248 4.888 4.640 -0.000 0.000 0.336 38 D C -1.012 175.393 176.300 0.175 0.000 1.367 38 D CA -0.042 54.122 54.000 0.273 0.000 0.815 38 D CB 1.800 42.859 40.800 0.431 0.000 1.381 38 D HN 0.015 nan 8.370 nan 0.000 0.471 39 T N -0.439 114.217 114.554 0.171 0.000 2.912 39 T HA 0.693 5.043 4.350 -0.000 0.000 0.288 39 T C -1.025 173.753 174.700 0.130 0.000 1.030 39 T CA -0.142 62.006 62.100 0.080 0.000 1.020 39 T CB 1.326 70.224 68.868 0.049 0.000 1.056 39 T HN 0.302 nan 8.240 nan 0.000 0.480 40 T N 1.214 115.795 114.554 0.044 0.000 2.900 40 T HA 0.670 5.020 4.350 -0.000 0.000 0.303 40 T C 0.112 174.815 174.700 0.004 0.000 1.142 40 T CA 0.047 62.185 62.100 0.064 0.000 1.007 40 T CB 1.227 70.177 68.868 0.137 0.000 1.156 40 T HN 0.648 nan 8.240 nan 0.000 0.490 41 A N 2.877 125.692 122.820 -0.008 0.000 2.390 41 A HA 0.413 4.733 4.320 -0.000 0.000 0.232 41 A C 1.636 179.209 177.584 -0.019 0.000 1.233 41 A CA -0.079 51.949 52.037 -0.015 0.000 0.907 41 A CB -0.399 18.593 19.000 -0.012 0.000 0.967 41 A HN 0.784 nan 8.150 nan 0.000 0.512 42 I N 0.160 120.707 120.570 -0.038 0.000 2.235 42 I HA -0.029 4.141 4.170 -0.000 0.000 0.241 42 I C 1.215 177.362 176.117 0.051 0.000 1.085 42 I CA 1.323 62.600 61.300 -0.038 0.000 1.378 42 I CB 0.106 38.003 38.000 -0.172 0.000 1.076 42 I HN 0.424 nan 8.210 nan 0.000 0.415 43 S N -0.194 115.561 115.700 0.091 0.000 2.638 43 S HA 0.623 5.092 4.470 -0.000 0.000 0.274 43 S C -0.772 173.874 174.600 0.076 0.000 1.157 43 S CA -0.853 57.439 58.200 0.154 0.000 0.826 43 S CB 2.865 66.225 63.200 0.266 0.000 1.139 43 S HN 0.148 nan 8.310 nan 0.000 0.474 44 K N 0.943 121.386 120.400 0.071 0.000 2.570 44 K HA 0.434 4.754 4.320 -0.000 0.000 0.256 44 K C -2.039 174.576 176.600 0.025 0.000 0.939 44 K CA -0.692 55.601 56.287 0.011 0.000 0.833 44 K CB 2.098 34.597 32.500 -0.003 0.000 1.318 44 K HN 0.601 nan 8.250 nan 0.000 0.433 45 V N 4.105 124.017 119.914 -0.002 0.000 2.408 45 V HA 0.124 4.244 4.120 -0.000 0.000 0.267 45 V C 0.094 176.205 176.094 0.029 0.000 1.047 45 V CA -0.651 61.674 62.300 0.041 0.000 0.937 45 V CB 1.196 33.052 31.823 0.056 0.000 0.999 45 V HN 0.479 nan 8.190 nan 0.000 0.472 46 V N 9.494 129.429 119.914 0.035 0.000 2.421 46 V HA 0.090 4.210 4.120 -0.000 0.000 0.271 46 V C -1.052 175.063 176.094 0.034 0.000 1.031 46 V CA -0.816 61.497 62.300 0.022 0.000 1.032 46 V CB 0.852 32.683 31.823 0.013 0.000 1.009 46 V HN 0.770 nan 8.190 nan 0.000 0.477 47 P HA -0.221 nan 4.420 nan 0.000 0.216 47 P C 1.846 179.168 177.300 0.035 0.000 1.154 47 P CA 2.171 65.294 63.100 0.038 0.000 0.865 47 P CB 0.267 31.981 31.700 0.024 0.000 0.789 48 Q N -0.811 119.000 119.800 0.020 0.000 2.083 48 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 48 Q C 1.972 177.978 176.000 0.010 0.000 0.969 48 Q CA 2.236 58.046 55.803 0.011 0.000 0.838 48 Q CB -2.097 26.643 28.738 0.003 0.000 0.900 48 Q HN 0.436 nan 8.270 nan 0.000 0.436 49 T N -1.994 112.568 114.554 0.013 0.000 3.081 49 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 49 T C 0.842 175.553 174.700 0.019 0.000 1.100 49 T CA 0.312 62.418 62.100 0.010 0.000 1.038 49 T CB -0.134 68.736 68.868 0.004 0.000 0.962 49 T HN 0.721 nan 8.240 nan 0.000 0.516 50 N N 0.804 119.529 118.700 0.042 0.000 2.727 50 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 50 N C -0.922 174.622 175.510 0.057 0.000 1.048 50 N CA 0.649 53.742 53.050 0.072 0.000 0.714 50 N CB -1.644 36.884 38.487 0.069 0.000 0.959 50 N HN 0.395 nan 8.380 nan 0.000 0.544 51 S N 0.454 116.183 115.700 0.048 0.000 2.438 51 S HA 0.490 4.959 4.470 -0.000 0.000 0.316 51 S C -0.399 174.230 174.600 0.049 0.000 1.084 51 S CA -0.819 57.396 58.200 0.026 0.000 1.107 51 S CB 0.564 63.768 63.200 0.007 0.000 0.981 51 S HN 0.414 nan 8.310 nan 0.000 0.466 52 L N 6.451 127.709 121.223 0.058 0.000 2.410 52 L HA 0.455 4.795 4.340 -0.000 0.000 0.273 52 L C 0.344 177.201 176.870 -0.021 0.000 1.152 52 L CA 0.614 55.497 54.840 0.071 0.000 0.855 52 L CB 0.567 42.705 42.059 0.132 0.000 1.129 52 L HN 0.693 nan 8.230 nan 0.000 0.463 53 T N 1.798 116.366 114.554 0.023 0.000 2.885 53 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 53 T C -0.827 173.974 174.700 0.168 0.000 1.019 53 T CA -0.613 61.498 62.100 0.017 0.000 1.010 53 T CB 1.109 69.991 68.868 0.023 0.000 1.022 53 T HN 0.289 nan 8.240 nan 0.000 0.466 54 Y N 1.905 122.255 120.300 0.084 0.000 2.334 54 Y HA 0.511 5.061 4.550 -0.000 0.000 0.336 54 Y C 0.919 176.859 175.900 0.067 0.000 0.960 54 Y CA -1.651 56.496 58.100 0.078 0.000 1.164 54 Y CB 1.067 39.577 38.460 0.083 0.000 1.155 54 Y HN 0.695 nan 8.280 nan 0.000 0.478 55 R N 1.701 122.300 120.500 0.166 0.000 3.405 55 R HA -0.241 4.099 4.340 -0.000 0.000 0.258 55 R C 1.157 177.390 176.300 -0.111 0.000 1.030 55 R CA 0.946 57.073 56.100 0.044 0.000 0.691 55 R CB -2.092 28.261 30.300 0.088 0.000 1.093 55 R HN 1.224 nan 8.270 nan 0.000 0.448 56 G N -1.817 106.930 108.800 -0.089 0.000 2.234 56 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.260 56 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.260 56 G C -0.065 174.697 174.900 -0.231 0.000 0.987 56 G CA 0.562 45.544 45.100 -0.197 0.000 0.625 56 G HN 0.388 nan 8.290 nan 0.000 0.532 57 Y N 1.612 121.929 120.300 0.027 0.000 2.316 57 Y HA 0.507 5.057 4.550 -0.001 0.000 0.331 57 Y C -1.900 173.970 175.900 -0.051 0.000 1.083 57 Y CA -2.526 55.571 58.100 -0.005 0.000 1.206 57 Y CB 0.913 39.374 38.460 0.002 0.000 1.195 57 Y HN -0.034 nan 8.280 nan 0.000 0.497 58 P HA -0.053 nan 4.420 nan 0.000 0.267 58 P C 0.879 178.122 177.300 -0.095 0.000 1.205 58 P CA 0.169 63.259 63.100 -0.016 0.000 0.765 58 P CB 1.162 32.860 31.700 -0.003 0.000 0.828 59 V N 3.726 123.507 119.914 -0.221 0.000 2.469 59 V HA -0.264 3.855 4.120 -0.000 0.000 0.251 59 V C 2.131 178.112 176.094 -0.189 0.000 1.064 59 V CA 2.197 64.286 62.300 -0.352 0.000 1.066 59 V CB -0.843 30.691 31.823 -0.482 0.000 0.667 59 V HN 0.645 nan 8.190 nan 0.000 0.461 60 Q N -1.165 118.559 119.800 -0.126 0.000 2.230 60 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 60 Q C 1.573 177.529 176.000 -0.073 0.000 0.963 60 Q CA 1.849 57.596 55.803 -0.094 0.000 0.866 60 Q CB -0.594 28.098 28.738 -0.077 0.000 0.931 60 Q HN 0.596 nan 8.270 nan 0.000 0.452 61 D N 1.526 121.888 120.400 -0.062 0.000 2.103 61 D HA -0.004 4.635 4.640 -0.000 0.000 0.199 61 D C 2.344 178.606 176.300 -0.063 0.000 0.978 61 D CA 0.739 54.709 54.000 -0.049 0.000 0.829 61 D CB -0.209 40.576 40.800 -0.024 0.000 0.981 61 D HN 0.205 nan 8.370 nan 0.000 0.464 62 L N 1.056 122.235 121.223 -0.074 0.000 2.012 62 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 62 L C 2.599 179.437 176.870 -0.055 0.000 1.073 62 L CA 1.381 56.177 54.840 -0.073 0.000 0.748 62 L CB -0.568 41.456 42.059 -0.059 0.000 0.891 62 L HN -0.018 nan 8.230 nan 0.000 0.431 63 A N -0.134 122.648 122.820 -0.063 0.000 1.940 63 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 63 A C 2.474 180.032 177.584 -0.043 0.000 1.176 63 A CA 1.914 53.920 52.037 -0.052 0.000 0.631 63 A CB -0.645 18.310 19.000 -0.076 0.000 0.814 63 A HN 0.447 nan 8.150 nan 0.000 0.446 64 A N -1.061 121.730 122.820 -0.048 0.000 1.970 64 A HA 0.038 4.357 4.320 -0.000 0.000 0.216 64 A C 2.181 179.745 177.584 -0.033 0.000 1.170 64 A CA 1.312 53.325 52.037 -0.039 0.000 0.645 64 A CB -0.141 18.835 19.000 -0.041 0.000 0.816 64 A HN 0.510 nan 8.150 nan 0.000 0.447 65 R N -2.535 117.940 120.500 -0.042 0.000 2.469 65 R HA 0.244 4.583 4.340 -0.000 0.000 0.250 65 R C -0.483 175.790 176.300 -0.045 0.000 0.909 65 R CA -0.058 56.016 56.100 -0.044 0.000 1.050 65 R CB 0.496 30.762 30.300 -0.056 0.000 1.256 65 R HN 0.439 nan 8.270 nan 0.000 0.550 66 C N 0.875 120.150 119.300 -0.043 0.000 2.401 66 C HA 0.533 4.993 4.460 -0.000 0.000 0.356 66 C C 0.888 175.877 174.990 -0.001 0.000 1.192 66 C CA -0.879 58.114 59.018 -0.042 0.000 2.028 66 C CB 1.684 29.383 27.740 -0.068 0.000 2.344 66 C HN 0.431 nan 8.230 nan 0.000 0.525 67 S N 0.481 116.185 115.700 0.008 0.000 2.669 67 S HA 0.392 4.861 4.470 -0.000 0.000 0.270 67 S C 0.540 175.187 174.600 0.078 0.000 1.225 67 S CA -0.283 57.956 58.200 0.065 0.000 0.991 67 S CB 0.284 63.529 63.200 0.075 0.000 0.987 67 S HN 0.676 nan 8.310 nan 0.000 0.552 68 F N 1.553 121.476 119.950 -0.045 0.000 2.171 68 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 68 F C 2.029 177.754 175.800 -0.125 0.000 1.090 68 F CA 1.817 59.733 58.000 -0.139 0.000 1.293 68 F CB -0.778 38.062 39.000 -0.267 0.000 1.013 68 F HN 0.749 nan 8.300 nan 0.000 0.486 69 E N 0.218 120.378 120.200 -0.067 0.000 2.070 69 E HA -0.277 4.073 4.350 -0.000 0.000 0.197 69 E C 2.201 178.710 176.600 -0.151 0.000 1.004 69 E CA 1.977 58.382 56.400 0.007 0.000 0.805 69 E CB -0.412 29.421 29.700 0.222 0.000 0.744 69 E HN 0.564 nan 8.360 nan 0.000 0.451 70 Q N -0.232 119.480 119.800 -0.146 0.000 2.124 70 Q HA -0.117 4.222 4.340 -0.000 0.000 0.202 70 Q C 2.216 178.093 176.000 -0.205 0.000 0.977 70 Q CA 1.315 57.000 55.803 -0.196 0.000 0.850 70 Q CB 0.065 28.714 28.738 -0.149 0.000 0.901 70 Q HN 0.179 nan 8.270 nan 0.000 0.429 71 V N 0.533 120.307 119.914 -0.233 0.000 2.407 71 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 71 V C 2.226 178.074 176.094 -0.409 0.000 1.041 71 V CA 1.509 63.682 62.300 -0.213 0.000 1.040 71 V CB -0.859 30.907 31.823 -0.095 0.000 0.671 71 V HN 0.365 nan 8.190 nan 0.000 0.455 72 A N -0.152 122.244 122.820 -0.706 0.000 1.892 72 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 72 A C 2.140 179.289 177.584 -0.724 0.000 1.188 72 A CA 2.331 53.818 52.037 -0.917 0.000 0.631 72 A CB -0.849 17.579 19.000 -0.953 0.000 0.822 72 A HN 0.522 nan 8.150 nan 0.000 0.447 73 F N -0.031 119.449 119.950 -0.785 0.000 2.095 73 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 73 F C 1.984 177.587 175.800 -0.328 0.000 1.104 73 F CA 1.928 59.493 58.000 -0.726 0.000 1.232 73 F CB -0.252 38.181 39.000 -0.945 0.000 0.987 73 F HN 0.240 nan 8.300 nan 0.000 0.475 74 L N 0.577 121.798 121.223 -0.003 0.000 1.990 74 L HA -0.247 4.092 4.340 -0.000 0.000 0.213 74 L C 2.133 178.970 176.870 -0.055 0.000 1.072 74 L CA 1.906 56.773 54.840 0.043 0.000 0.755 74 L CB -1.038 41.057 42.059 0.061 0.000 0.889 74 L HN 0.267 nan 8.230 nan 0.000 0.432 75 L N -2.045 119.058 121.223 -0.200 0.000 2.012 75 L HA -0.250 4.089 4.340 -0.000 0.000 0.210 75 L C 2.514 179.312 176.870 -0.119 0.000 1.073 75 L CA 1.457 56.152 54.840 -0.242 0.000 0.748 75 L CB -0.755 41.026 42.059 -0.464 0.000 0.891 75 L HN 0.443 nan 8.230 nan 0.000 0.431 76 W N 0.028 121.221 121.300 -0.178 0.000 2.418 76 W HA -0.047 4.613 4.660 0.000 0.000 0.292 76 W C 2.673 179.058 176.519 -0.223 0.000 1.213 76 W CA 0.512 57.747 57.345 -0.183 0.000 1.283 76 W CB -0.483 28.870 29.460 -0.179 0.000 1.119 76 W HN 0.124 nan 8.180 nan 0.000 0.542 77 R N -1.124 119.310 120.500 -0.110 0.000 2.175 77 R HA 0.183 4.523 4.340 -0.000 0.000 0.202 77 R C 1.828 178.100 176.300 -0.047 0.000 1.018 77 R CA 1.157 57.149 56.100 -0.180 0.000 1.029 77 R CB -0.564 29.429 30.300 -0.512 0.000 0.959 77 R HN 0.223 nan 8.270 nan 0.000 0.480 78 G N 0.607 109.407 108.800 0.000 0.000 2.201 78 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.212 78 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.212 78 G C -0.135 174.828 174.900 0.106 0.000 0.994 78 G CA -0.132 44.994 45.100 0.044 0.000 0.644 78 G HN 0.247 nan 8.290 nan 0.000 0.508 79 E N -0.306 119.989 120.200 0.158 0.000 2.393 79 E HA 0.596 4.946 4.350 -0.000 0.000 0.273 79 E C 0.074 176.835 176.600 0.268 0.000 0.918 79 E CA -0.907 55.629 56.400 0.228 0.000 0.773 79 E CB 1.746 31.559 29.700 0.188 0.000 1.275 79 E HN 0.220 nan 8.360 nan 0.000 0.451 80 L N 2.716 124.047 121.223 0.179 0.000 2.461 80 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 80 L C -1.837 174.987 176.870 -0.078 0.000 1.197 80 L CA -1.296 53.551 54.840 0.012 0.000 0.836 80 L CB 0.028 41.998 42.059 -0.148 0.000 1.105 80 L HN 0.180 nan 8.230 nan 0.000 0.477 81 P HA 0.154 nan 4.420 nan 0.000 0.282 81 P C -0.652 176.423 177.300 -0.374 0.000 1.249 81 P CA -0.556 62.096 63.100 -0.748 0.000 0.806 81 P CB 0.948 31.700 31.700 -1.581 0.000 0.984 82 T N -1.266 113.130 114.554 -0.264 0.000 2.856 82 T HA 0.045 4.395 4.350 -0.000 0.000 0.306 82 T C 1.025 175.622 174.700 -0.171 0.000 1.062 82 T CA -0.238 61.767 62.100 -0.158 0.000 1.083 82 T CB 0.019 68.835 68.868 -0.086 0.000 0.984 82 T HN 0.281 nan 8.240 nan 0.000 0.542 83 D N 1.587 121.922 120.400 -0.108 0.000 2.154 83 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 83 D C 2.274 178.535 176.300 -0.065 0.000 1.003 83 D CA 2.127 56.080 54.000 -0.079 0.000 0.849 83 D CB -0.777 39.995 40.800 -0.047 0.000 0.942 83 D HN 0.797 nan 8.370 nan 0.000 0.446 84 A N 0.518 123.309 122.820 -0.049 0.000 1.968 84 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 84 A C 2.091 179.666 177.584 -0.015 0.000 1.169 84 A CA 1.261 53.287 52.037 -0.018 0.000 0.638 84 A CB -0.352 18.647 19.000 -0.002 0.000 0.812 84 A HN 0.211 nan 8.150 nan 0.000 0.446 85 E N -0.703 119.454 120.200 -0.071 0.000 2.072 85 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 85 E C 1.900 178.434 176.600 -0.109 0.000 0.985 85 E CA 1.130 57.481 56.400 -0.081 0.000 0.801 85 E CB -0.204 29.356 29.700 -0.233 0.000 0.750 85 E HN 0.504 nan 8.360 nan 0.000 0.452 86 L N 0.856 121.945 121.223 -0.223 0.000 2.083 86 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 86 L C 2.161 179.073 176.870 0.070 0.000 1.083 86 L CA 1.825 56.588 54.840 -0.129 0.000 0.752 86 L CB -0.489 41.467 42.059 -0.172 0.000 0.899 86 L HN 0.040 nan 8.230 nan 0.000 0.433 87 A N -0.451 122.394 122.820 0.041 0.000 1.877 87 A HA -0.178 4.141 4.320 -0.000 0.000 0.216 87 A C 2.256 179.905 177.584 0.108 0.000 1.186 87 A CA 2.034 54.112 52.037 0.069 0.000 0.620 87 A CB -0.895 18.130 19.000 0.042 0.000 0.822 87 A HN 0.489 nan 8.150 nan 0.000 0.443 88 L N -2.252 119.046 121.223 0.124 0.000 2.093 88 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 88 L C 2.509 179.504 176.870 0.209 0.000 1.085 88 L CA 1.567 56.496 54.840 0.148 0.000 0.755 88 L CB -0.559 41.590 42.059 0.150 0.000 0.904 88 L HN 0.524 nan 8.230 nan 0.000 0.435 89 F N 0.383 120.412 119.950 0.132 0.000 2.084 89 F HA -0.265 4.262 4.527 -0.001 0.000 0.296 89 F C 2.947 178.842 175.800 0.158 0.000 1.111 89 F CA 1.858 59.977 58.000 0.198 0.000 1.224 89 F CB -0.334 38.849 39.000 0.306 0.000 0.991 89 F HN -0.037 nan 8.300 nan 0.000 0.471 90 S N -0.454 115.413 115.700 0.278 0.000 2.370 90 S HA -0.291 4.179 4.470 -0.000 0.000 0.226 90 S C 2.077 176.724 174.600 0.078 0.000 1.033 90 S CA 1.682 59.983 58.200 0.168 0.000 1.011 90 S CB -0.522 62.795 63.200 0.195 0.000 0.852 90 S HN 0.549 nan 8.310 nan 0.000 0.457 91 Q N 0.983 120.830 119.800 0.078 0.000 2.119 91 Q HA 0.035 4.375 4.340 -0.000 0.000 0.201 91 Q C 2.200 178.217 176.000 0.029 0.000 0.972 91 Q CA 1.493 57.331 55.803 0.057 0.000 0.847 91 Q CB -0.393 28.381 28.738 0.059 0.000 0.903 91 Q HN 0.380 nan 8.270 nan 0.000 0.433 92 R N 0.626 121.126 120.500 0.000 0.000 2.096 92 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 92 R C 1.914 178.181 176.300 -0.055 0.000 1.127 92 R CA 1.677 57.758 56.100 -0.032 0.000 0.968 92 R CB -0.574 29.692 30.300 -0.055 0.000 0.861 92 R HN 0.370 nan 8.270 nan 0.000 0.440 93 E N 0.739 120.877 120.200 -0.103 0.000 2.051 93 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 93 E C 1.798 178.429 176.600 0.051 0.000 0.991 93 E CA 1.393 57.767 56.400 -0.042 0.000 0.799 93 E CB -0.044 29.633 29.700 -0.039 0.000 0.748 93 E HN 0.356 nan 8.360 nan 0.000 0.449 94 R N -0.043 120.495 120.500 0.063 0.000 2.120 94 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 94 R C 2.346 178.681 176.300 0.059 0.000 1.123 94 R CA 1.015 57.163 56.100 0.079 0.000 0.975 94 R CB -0.307 30.045 30.300 0.087 0.000 0.866 94 R HN 0.122 nan 8.270 nan 0.000 0.446 95 A N 0.455 123.300 122.820 0.042 0.000 2.168 95 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 95 A C 1.561 179.167 177.584 0.036 0.000 1.152 95 A CA 1.020 53.078 52.037 0.034 0.000 0.716 95 A CB 0.104 19.119 19.000 0.026 0.000 0.794 95 A HN 0.162 nan 8.150 nan 0.000 0.465 96 S N -1.142 114.583 115.700 0.042 0.000 2.568 96 S HA 0.159 4.629 4.470 -0.000 0.000 0.232 96 S C 1.417 176.057 174.600 0.067 0.000 0.975 96 S CA -0.371 57.858 58.200 0.049 0.000 0.949 96 S CB 0.150 63.375 63.200 0.042 0.000 0.829 96 S HN 0.600 nan 8.310 nan 0.000 0.479 97 R N 1.213 121.754 120.500 0.068 0.000 2.161 97 R HA 0.191 4.531 4.340 -0.000 0.000 0.213 97 R C 0.577 176.915 176.300 0.062 0.000 1.055 97 R CA 0.389 56.534 56.100 0.075 0.000 0.996 97 R CB 0.145 30.491 30.300 0.076 0.000 0.901 97 R HN 0.214 nan 8.270 nan 0.000 0.456 98 R N 1.423 121.953 120.500 0.050 0.000 2.543 98 R HA 0.085 4.425 4.340 -0.000 0.000 0.277 98 R C 0.018 176.342 176.300 0.039 0.000 1.074 98 R CA -0.190 55.933 56.100 0.039 0.000 1.076 98 R CB 1.010 31.328 30.300 0.030 0.000 0.993 98 R HN -0.044 nan 8.270 nan 0.000 0.459 99 V N -0.402 119.530 119.914 0.030 0.000 2.644 99 V HA 0.301 4.421 4.120 -0.000 0.000 0.295 99 V C -0.019 176.084 176.094 0.015 0.000 1.053 99 V CA -0.959 61.355 62.300 0.024 0.000 0.987 99 V CB 1.523 33.352 31.823 0.011 0.000 1.006 99 V HN 0.542 nan 8.190 nan 0.000 0.472 100 D N 2.415 122.824 120.400 0.015 0.000 2.387 100 D HA 0.473 5.113 4.640 -0.000 0.000 0.251 100 D C 1.550 177.848 176.300 -0.004 0.000 1.141 100 D CA 0.284 54.292 54.000 0.013 0.000 0.987 100 D CB 1.231 42.047 40.800 0.028 0.000 1.116 100 D HN 0.758 nan 8.370 nan 0.000 0.491 101 R N 0.587 121.086 120.500 -0.001 0.000 2.133 101 R HA -0.194 4.146 4.340 -0.000 0.000 0.247 101 R C 2.122 178.408 176.300 -0.023 0.000 1.151 101 R CA 2.507 58.601 56.100 -0.010 0.000 0.971 101 R CB -1.877 28.423 30.300 -0.001 0.000 0.866 101 R HN 0.626 nan 8.270 nan 0.000 0.447 102 S N -0.479 115.214 115.700 -0.011 0.000 2.382 102 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 102 S C 2.164 176.657 174.600 -0.179 0.000 1.027 102 S CA 1.834 60.015 58.200 -0.032 0.000 0.991 102 S CB -0.239 63.014 63.200 0.087 0.000 0.823 102 S HN 0.554 nan 8.310 nan 0.000 0.469 103 M N 1.691 121.201 119.600 -0.150 0.000 2.156 103 M HA 0.269 4.748 4.480 -0.000 0.000 0.264 103 M C 1.893 178.107 176.300 -0.144 0.000 1.067 103 M CA 1.345 56.526 55.300 -0.198 0.000 1.131 103 M CB -0.778 31.765 32.600 -0.096 0.000 1.368 103 M HN 0.348 nan 8.290 nan 0.000 0.416 104 L N -1.019 120.152 121.223 -0.086 0.000 2.083 104 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 104 L C 2.602 179.430 176.870 -0.070 0.000 1.083 104 L CA 1.523 56.325 54.840 -0.063 0.000 0.752 104 L CB -0.974 41.061 42.059 -0.040 0.000 0.899 104 L HN 0.462 nan 8.230 nan 0.000 0.433 105 S N 0.240 115.892 115.700 -0.080 0.000 2.368 105 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 105 S C 1.963 176.501 174.600 -0.103 0.000 1.030 105 S CA 1.307 59.462 58.200 -0.074 0.000 0.999 105 S CB -0.213 62.952 63.200 -0.058 0.000 0.844 105 S HN 0.297 nan 8.310 nan 0.000 0.459 106 L N 1.581 122.692 121.223 -0.186 0.000 2.017 106 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 106 L C 2.152 178.949 176.870 -0.121 0.000 1.073 106 L CA 1.741 56.454 54.840 -0.213 0.000 0.745 106 L CB -0.657 41.141 42.059 -0.436 0.000 0.894 106 L HN 0.405 nan 8.230 nan 0.000 0.432 107 L N -0.758 120.402 121.223 -0.106 0.000 2.201 107 L HA -0.113 4.226 4.340 -0.000 0.000 0.212 107 L C 2.513 179.356 176.870 -0.045 0.000 1.105 107 L CA 0.891 55.694 54.840 -0.063 0.000 0.775 107 L CB -0.763 41.263 42.059 -0.054 0.000 0.913 107 L HN 0.386 nan 8.230 nan 0.000 0.440 108 A N -0.169 122.623 122.820 -0.047 0.000 1.975 108 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 108 A C 2.235 179.804 177.584 -0.025 0.000 1.170 108 A CA 1.007 53.025 52.037 -0.032 0.000 0.656 108 A CB -0.074 18.908 19.000 -0.030 0.000 0.821 108 A HN 0.226 nan 8.150 nan 0.000 0.449 109 K N -0.509 119.873 120.400 -0.030 0.000 2.243 109 K HA 0.251 4.571 4.320 -0.000 0.000 0.201 109 K C 0.058 176.652 176.600 -0.010 0.000 1.051 109 K CA -0.062 56.214 56.287 -0.017 0.000 0.970 109 K CB -0.170 32.321 32.500 -0.015 0.000 0.755 109 K HN 0.396 nan 8.250 nan 0.000 0.465 110 L N 3.566 124.780 121.223 -0.015 0.000 2.525 110 L HA 0.040 4.380 4.340 -0.000 0.000 0.278 110 L C -1.922 174.948 176.870 0.000 0.000 1.218 110 L CA -1.630 53.208 54.840 -0.003 0.000 0.878 110 L CB -0.181 41.875 42.059 -0.005 0.000 1.127 110 L HN 0.047 nan 8.230 nan 0.000 0.492 111 P HA -0.020 nan 4.420 nan 0.000 0.269 111 P C -0.536 176.768 177.300 0.006 0.000 1.209 111 P CA -0.266 62.839 63.100 0.008 0.000 0.776 111 P CB 0.532 32.241 31.700 0.014 0.000 0.876 112 D N 0.695 121.097 120.400 0.003 0.000 2.325 112 D HA -0.062 4.578 4.640 -0.000 0.000 0.225 112 D C 0.346 176.647 176.300 0.001 0.000 1.096 112 D CA 0.067 54.066 54.000 -0.000 0.000 0.844 112 D CB -0.837 39.961 40.800 -0.003 0.000 0.925 112 D HN 0.284 nan 8.370 nan 0.000 0.513 113 N N 0.069 118.774 118.700 0.008 0.000 2.241 113 N HA 0.039 4.779 4.740 -0.000 0.000 0.238 113 N C 0.243 175.766 175.510 0.022 0.000 1.244 113 N CA -0.482 52.575 53.050 0.011 0.000 0.880 113 N CB -0.941 37.554 38.487 0.015 0.000 1.179 113 N HN 0.306 nan 8.380 nan 0.000 0.513 114 C N -0.607 118.708 119.300 0.026 0.000 2.403 114 C HA 0.466 4.925 4.460 -0.000 0.000 0.361 114 C C 0.941 175.968 174.990 0.062 0.000 1.274 114 C CA -1.047 58.003 59.018 0.054 0.000 2.433 114 C CB 0.286 28.058 27.740 0.053 0.000 2.323 114 C HN 0.450 nan 8.230 nan 0.000 0.614 115 H N 1.810 120.899 119.070 0.032 0.000 2.848 115 H HA 0.160 4.716 4.556 -0.000 0.000 0.341 115 H C -1.629 173.725 175.328 0.043 0.000 1.060 115 H CA -0.647 55.426 56.048 0.041 0.000 1.444 115 H CB 1.263 31.051 29.762 0.044 0.000 1.446 115 H HN 0.481 nan 8.280 nan 0.000 0.583 116 P HA -0.152 nan 4.420 nan 0.000 0.221 116 P C 1.701 179.083 177.300 0.138 0.000 1.145 116 P CA 0.938 64.020 63.100 -0.031 0.000 0.795 116 P CB 0.227 31.866 31.700 -0.102 0.000 0.775 117 M N -0.768 119.066 119.600 0.389 0.000 2.213 117 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 117 M C 1.045 177.443 176.300 0.164 0.000 1.062 117 M CA 1.588 57.051 55.300 0.272 0.000 1.105 117 M CB -1.420 31.323 32.600 0.238 0.000 1.385 117 M HN -0.016 nan 8.290 nan 0.000 0.417 118 D N 0.023 120.524 120.400 0.167 0.000 2.218 118 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 118 D C 2.210 178.559 176.300 0.081 0.000 0.976 118 D CA 0.886 54.948 54.000 0.103 0.000 0.853 118 D CB -0.189 40.670 40.800 0.098 0.000 0.939 118 D HN 0.183 nan 8.370 nan 0.000 0.481 119 V N 0.203 120.165 119.914 0.079 0.000 2.407 119 V HA -0.113 4.006 4.120 -0.000 0.000 0.245 119 V C 2.462 178.594 176.094 0.064 0.000 1.041 119 V CA 0.743 63.076 62.300 0.055 0.000 1.040 119 V CB -0.108 31.739 31.823 0.040 0.000 0.671 119 V HN 0.064 nan 8.190 nan 0.000 0.455 120 V N -0.103 119.861 119.914 0.082 0.000 2.379 120 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 120 V C 2.650 178.804 176.094 0.099 0.000 1.044 120 V CA 2.191 64.547 62.300 0.094 0.000 1.036 120 V CB -0.451 31.435 31.823 0.105 0.000 0.664 120 V HN 0.489 nan 8.190 nan 0.000 0.453 121 R N -0.444 120.108 120.500 0.087 0.000 2.094 121 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 121 R C 2.213 178.558 176.300 0.076 0.000 1.137 121 R CA 2.472 58.613 56.100 0.069 0.000 0.943 121 R CB -0.556 29.773 30.300 0.049 0.000 0.850 121 R HN 0.575 nan 8.270 nan 0.000 0.433 122 T N 0.455 115.055 114.554 0.076 0.000 2.812 122 T HA -0.025 4.325 4.350 -0.000 0.000 0.264 122 T C 1.862 176.632 174.700 0.118 0.000 1.042 122 T CA 1.091 63.244 62.100 0.088 0.000 1.140 122 T CB -0.323 68.589 68.868 0.072 0.000 0.870 122 T HN 0.445 nan 8.240 nan 0.000 0.445 123 A N 2.163 125.037 122.820 0.091 0.000 1.851 123 A HA -0.095 4.224 4.320 -0.000 0.000 0.216 123 A C 2.274 179.951 177.584 0.154 0.000 1.195 123 A CA 1.329 53.422 52.037 0.094 0.000 0.622 123 A CB -0.857 18.181 19.000 0.063 0.000 0.831 123 A HN 0.374 nan 8.150 nan 0.000 0.444 124 I N -0.005 120.660 120.570 0.159 0.000 2.151 124 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 124 I C 2.794 179.031 176.117 0.200 0.000 1.080 124 I CA 2.051 63.481 61.300 0.217 0.000 1.339 124 I CB -1.417 36.708 38.000 0.207 0.000 1.039 124 I HN 0.452 nan 8.210 nan 0.000 0.409 125 S N -0.222 115.560 115.700 0.138 0.000 2.383 125 S HA -0.263 4.207 4.470 -0.000 0.000 0.229 125 S C 2.219 176.835 174.600 0.027 0.000 1.030 125 S CA 1.346 59.591 58.200 0.075 0.000 1.002 125 S CB -0.478 62.758 63.200 0.061 0.000 0.829 125 S HN 0.470 nan 8.310 nan 0.000 0.467 126 Y N 1.303 121.583 120.300 -0.033 0.000 2.200 126 Y HA 0.063 4.613 4.550 -0.000 0.000 0.290 126 Y C 2.041 177.875 175.900 -0.109 0.000 1.137 126 Y CA 1.555 59.621 58.100 -0.056 0.000 1.163 126 Y CB -0.152 38.295 38.460 -0.022 0.000 0.988 126 Y HN 0.223 nan 8.280 nan 0.000 0.518 127 L N -0.860 120.439 121.223 0.127 0.000 2.083 127 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 127 L C 2.637 179.225 176.870 -0.469 0.000 1.083 127 L CA 1.236 56.066 54.840 -0.017 0.000 0.752 127 L CB -1.068 41.067 42.059 0.128 0.000 0.899 127 L HN 0.389 nan 8.230 nan 0.000 0.433 128 G N -0.472 107.849 108.800 -0.799 0.000 2.418 128 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.217 128 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.217 128 G C 1.760 176.291 174.900 -0.616 0.000 1.158 128 G CA 0.742 45.015 45.100 -1.377 0.000 0.771 128 G HN 0.465 nan 8.290 nan 0.000 0.545 129 A N 0.596 123.184 122.820 -0.388 0.000 1.978 129 A HA -0.021 4.299 4.320 -0.000 0.000 0.220 129 A C 2.123 179.549 177.584 -0.263 0.000 1.170 129 A CA 1.829 53.685 52.037 -0.301 0.000 0.636 129 A CB -0.275 18.515 19.000 -0.349 0.000 0.810 129 A HN 0.474 nan 8.150 nan 0.000 0.448 130 E N -0.510 119.537 120.200 -0.254 0.000 2.385 130 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 130 E C -0.228 176.300 176.600 -0.119 0.000 1.013 130 E CA -0.087 56.224 56.400 -0.147 0.000 0.866 130 E CB 0.138 29.807 29.700 -0.052 0.000 0.832 130 E HN 0.453 nan 8.360 nan 0.000 0.500 131 D N 1.353 121.641 120.400 -0.187 0.000 2.339 131 D HA 0.022 4.662 4.640 -0.000 0.000 0.241 131 D C -1.554 174.708 176.300 -0.064 0.000 1.183 131 D CA -2.178 51.761 54.000 -0.103 0.000 0.859 131 D CB 1.330 42.065 40.800 -0.108 0.000 1.067 131 D HN -0.075 nan 8.370 nan 0.000 0.484 132 P HA -0.055 nan 4.420 nan 0.000 0.225 132 P C 0.205 177.502 177.300 -0.005 0.000 1.148 132 P CA 0.691 63.778 63.100 -0.022 0.000 0.779 132 P CB 0.574 32.267 31.700 -0.013 0.000 0.780 133 D N -0.548 119.862 120.400 0.018 0.000 2.363 133 D HA -0.017 4.623 4.640 -0.000 0.000 0.214 133 D C 1.702 178.042 176.300 0.066 0.000 1.093 133 D CA -0.010 54.010 54.000 0.034 0.000 0.837 133 D CB 0.072 40.893 40.800 0.035 0.000 0.948 133 D HN 0.317 nan 8.370 nan 0.000 0.507 134 E N 1.338 121.584 120.200 0.077 0.000 2.113 134 E HA -0.234 4.116 4.350 -0.000 0.000 0.210 134 E C 0.384 177.051 176.600 0.111 0.000 1.040 134 E CA 1.455 57.942 56.400 0.145 0.000 0.847 134 E CB 0.220 29.926 29.700 0.011 0.000 0.755 134 E HN 0.112 nan 8.360 nan 0.000 0.459 135 D N 0.333 120.760 120.400 0.046 0.000 2.325 135 D HA -0.006 4.634 4.640 -0.000 0.000 0.225 135 D C -0.385 175.923 176.300 0.014 0.000 1.096 135 D CA 0.211 54.226 54.000 0.025 0.000 0.844 135 D CB 0.056 40.859 40.800 0.005 0.000 0.925 135 D HN 0.085 nan 8.370 nan 0.000 0.513 136 D N 0.493 120.903 120.400 0.017 0.000 2.443 136 D HA 0.291 4.930 4.640 -0.000 0.000 0.221 136 D C 1.075 177.372 176.300 -0.005 0.000 1.097 136 D CA -0.536 53.466 54.000 0.003 0.000 0.865 136 D CB 1.274 42.076 40.800 0.003 0.000 1.034 136 D HN -0.083 nan 8.370 nan 0.000 0.511 137 A N 3.764 126.577 122.820 -0.013 0.000 2.019 137 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 137 A C 2.071 179.634 177.584 -0.034 0.000 1.164 137 A CA 1.605 53.627 52.037 -0.025 0.000 0.644 137 A CB -0.404 18.582 19.000 -0.024 0.000 0.805 137 A HN 0.624 nan 8.150 nan 0.000 0.449 138 A N -0.586 122.218 122.820 -0.027 0.000 2.076 138 A HA 0.231 4.551 4.320 -0.000 0.000 0.220 138 A C 1.954 179.514 177.584 -0.041 0.000 1.160 138 A CA 1.626 53.645 52.037 -0.031 0.000 0.653 138 A CB -0.522 18.465 19.000 -0.021 0.000 0.801 138 A HN 1.127 nan 8.150 nan 0.000 0.455 139 A N -0.776 122.021 122.820 -0.039 0.000 2.460 139 A HA 0.237 4.557 4.320 -0.000 0.000 0.258 139 A C 1.231 178.765 177.584 -0.082 0.000 1.300 139 A CA 0.087 52.094 52.037 -0.049 0.000 0.913 139 A CB -0.386 18.601 19.000 -0.023 0.000 1.031 139 A HN 0.392 nan 8.150 nan 0.000 0.512 140 N N 1.064 119.704 118.700 -0.100 0.000 2.149 140 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 140 N C 2.146 177.516 175.510 -0.235 0.000 1.019 140 N CA 1.799 54.761 53.050 -0.147 0.000 0.857 140 N CB -0.343 38.068 38.487 -0.127 0.000 0.997 140 N HN 0.665 nan 8.380 nan 0.000 0.426 141 R N 0.842 121.196 120.500 -0.243 0.000 2.075 141 R HA 0.188 4.527 4.340 -0.000 0.000 0.232 141 R C 2.305 178.394 176.300 -0.352 0.000 1.126 141 R CA 1.663 57.542 56.100 -0.368 0.000 0.963 141 R CB -1.465 28.671 30.300 -0.274 0.000 0.858 141 R HN 0.356 nan 8.270 nan 0.000 0.435 142 A N 1.191 123.888 122.820 -0.206 0.000 1.930 142 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 142 A C 2.339 179.837 177.584 -0.144 0.000 1.175 142 A CA 1.709 53.657 52.037 -0.149 0.000 0.627 142 A CB -0.246 18.709 19.000 -0.075 0.000 0.815 142 A HN 0.597 nan 8.150 nan 0.000 0.443 143 K N -0.279 120.030 120.400 -0.151 0.000 2.057 143 K HA 0.000 4.320 4.320 -0.000 0.000 0.206 143 K C 2.332 178.799 176.600 -0.222 0.000 1.050 143 K CA 1.012 57.204 56.287 -0.159 0.000 0.935 143 K CB -0.316 32.058 32.500 -0.210 0.000 0.715 143 K HN 0.421 nan 8.250 nan 0.000 0.439 144 A N 1.419 124.060 122.820 -0.297 0.000 1.883 144 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 144 A C 2.166 179.634 177.584 -0.193 0.000 1.186 144 A CA 1.683 53.550 52.037 -0.282 0.000 0.624 144 A CB -0.518 18.149 19.000 -0.555 0.000 0.822 144 A HN 0.182 nan 8.150 nan 0.000 0.444 145 M N -1.166 118.222 119.600 -0.355 0.000 2.086 145 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 145 M C 2.404 178.726 176.300 0.036 0.000 1.067 145 M CA 1.734 56.969 55.300 -0.108 0.000 1.116 145 M CB -0.363 32.125 32.600 -0.187 0.000 1.348 145 M HN 0.331 nan 8.290 nan 0.000 0.407 146 R N -0.132 120.368 120.500 0.000 0.000 2.091 146 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 146 R C 2.203 178.571 176.300 0.112 0.000 1.136 146 R CA 1.640 57.777 56.100 0.061 0.000 0.959 146 R CB -0.402 29.943 30.300 0.074 0.000 0.856 146 R HN 0.430 nan 8.270 nan 0.000 0.437 147 M N -0.133 119.527 119.600 0.099 0.000 2.086 147 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 147 M C 2.518 178.940 176.300 0.203 0.000 1.067 147 M CA 1.462 56.848 55.300 0.144 0.000 1.116 147 M CB -0.219 32.436 32.600 0.091 0.000 1.348 147 M HN 0.201 nan 8.290 nan 0.000 0.407 148 M N 0.230 119.988 119.600 0.263 0.000 2.175 148 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 148 M C 2.069 178.575 176.300 0.345 0.000 1.063 148 M CA 2.004 57.508 55.300 0.340 0.000 1.119 148 M CB -0.559 32.318 32.600 0.462 0.000 1.377 148 M HN 0.251 nan 8.290 nan 0.000 0.415 149 A N -0.846 122.133 122.820 0.265 0.000 1.968 149 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 149 A C 2.078 179.765 177.584 0.171 0.000 1.169 149 A CA 1.529 53.703 52.037 0.229 0.000 0.638 149 A CB -0.800 18.289 19.000 0.148 0.000 0.812 149 A HN 0.403 nan 8.150 nan 0.000 0.446 150 V N -0.594 119.412 119.914 0.153 0.000 3.174 150 V HA 0.045 4.164 4.120 -0.000 0.000 0.254 150 V C 2.153 178.314 176.094 0.112 0.000 1.120 150 V CA 0.824 63.196 62.300 0.120 0.000 1.114 150 V CB -0.272 31.621 31.823 0.116 0.000 0.756 150 V HN 0.551 nan 8.190 nan 0.000 0.467 151 L N 0.665 121.965 121.223 0.130 0.000 2.012 151 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 151 L C -0.061 176.841 176.870 0.052 0.000 1.073 151 L CA 2.160 57.062 54.840 0.102 0.000 0.748 151 L CB -1.649 40.482 42.059 0.120 0.000 0.891 151 L HN 0.345 nan 8.230 nan 0.000 0.431 152 P HA -0.143 nan 4.420 nan 0.000 0.216 152 P C 1.517 178.925 177.300 0.179 0.000 1.150 152 P CA 1.495 64.577 63.100 -0.030 0.000 0.837 152 P CB -0.106 31.496 31.700 -0.162 0.000 0.786 153 T N -0.490 114.127 114.554 0.105 0.000 2.708 153 T HA -0.122 4.227 4.350 -0.000 0.000 0.266 153 T C 1.792 176.530 174.700 0.063 0.000 1.037 153 T CA 1.180 63.327 62.100 0.078 0.000 1.146 153 T CB -0.983 67.920 68.868 0.058 0.000 0.865 153 T HN 0.067 nan 8.240 nan 0.000 0.435 154 I N 0.805 121.413 120.570 0.064 0.000 2.179 154 I HA -0.160 4.009 4.170 -0.000 0.000 0.242 154 I C 2.530 178.681 176.117 0.057 0.000 1.088 154 I CA 0.953 62.282 61.300 0.049 0.000 1.357 154 I CB -0.482 37.551 38.000 0.055 0.000 1.051 154 I HN 0.072 nan 8.210 nan 0.000 0.409 155 V N 0.947 120.917 119.914 0.093 0.000 2.343 155 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 155 V C 2.687 178.850 176.094 0.115 0.000 1.051 155 V CA 2.044 64.412 62.300 0.114 0.000 1.036 155 V CB -1.046 30.846 31.823 0.115 0.000 0.654 155 V HN 0.510 nan 8.190 nan 0.000 0.451 156 A N -0.179 122.726 122.820 0.141 0.000 1.902 156 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 156 A C 2.180 179.705 177.584 -0.099 0.000 1.181 156 A CA 1.893 53.870 52.037 -0.099 0.000 0.623 156 A CB -0.534 18.309 19.000 -0.261 0.000 0.818 156 A HN 0.509 nan 8.150 nan 0.000 0.443 157 I N -0.363 120.179 120.570 -0.046 0.000 2.226 157 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 157 I C 2.305 178.399 176.117 -0.039 0.000 1.100 157 I CA 1.819 63.090 61.300 -0.048 0.000 1.374 157 I CB -0.344 37.638 38.000 -0.030 0.000 1.057 157 I HN 0.344 nan 8.210 nan 0.000 0.413 158 D N 0.746 121.135 120.400 -0.018 0.000 2.117 158 D HA -0.232 4.407 4.640 -0.000 0.000 0.198 158 D C 2.265 178.555 176.300 -0.018 0.000 0.982 158 D CA 1.347 55.340 54.000 -0.012 0.000 0.828 158 D CB -0.035 40.768 40.800 0.004 0.000 0.967 158 D HN 0.176 nan 8.370 nan 0.000 0.464 159 M N -0.304 119.283 119.600 -0.021 0.000 2.086 159 M HA -0.146 4.333 4.480 -0.000 0.000 0.261 159 M C 2.187 178.465 176.300 -0.036 0.000 1.067 159 M CA 1.444 56.732 55.300 -0.021 0.000 1.116 159 M CB 0.038 32.622 32.600 -0.026 0.000 1.348 159 M HN -0.064 nan 8.290 nan 0.000 0.407 160 R N -0.179 120.280 120.500 -0.070 0.000 2.092 160 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 160 R C 2.282 178.557 176.300 -0.041 0.000 1.119 160 R CA 1.718 57.778 56.100 -0.067 0.000 0.970 160 R CB -0.555 29.685 30.300 -0.101 0.000 0.864 160 R HN 0.533 nan 8.270 nan 0.000 0.440 161 R N 1.127 121.605 120.500 -0.036 0.000 2.152 161 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 161 R C 1.662 177.952 176.300 -0.017 0.000 1.117 161 R CA 1.427 57.512 56.100 -0.027 0.000 0.981 161 R CB -0.267 30.018 30.300 -0.025 0.000 0.870 161 R HN 0.144 nan 8.270 nan 0.000 0.451 162 R N 0.294 120.786 120.500 -0.014 0.000 2.189 162 R HA 0.069 4.409 4.340 -0.000 0.000 0.218 162 R C 1.872 178.171 176.300 -0.001 0.000 1.074 162 R CA 1.032 57.128 56.100 -0.007 0.000 0.991 162 R CB -0.021 30.276 30.300 -0.006 0.000 0.883 162 R HN 0.251 nan 8.270 nan 0.000 0.457 163 R N -0.460 120.038 120.500 -0.003 0.000 2.317 163 R HA 0.105 4.445 4.340 -0.000 0.000 0.208 163 R C 0.610 176.908 176.300 -0.004 0.000 0.914 163 R CA 0.534 56.634 56.100 0.001 0.000 1.060 163 R CB 0.806 31.110 30.300 0.006 0.000 1.015 163 R HN 0.349 nan 8.270 nan 0.000 0.498 164 G N 1.077 109.872 108.800 -0.009 0.000 2.136 164 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 164 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 164 G C -0.113 174.777 174.900 -0.017 0.000 0.989 164 G CA -0.244 44.849 45.100 -0.011 0.000 0.682 164 G HN 0.150 nan 8.290 nan 0.000 0.522 165 L N 1.485 122.694 121.223 -0.024 0.000 2.334 165 L HA 0.592 4.931 4.340 -0.000 0.000 0.276 165 L C -1.579 175.266 176.870 -0.041 0.000 1.014 165 L CA -2.394 52.426 54.840 -0.033 0.000 0.815 165 L CB 2.080 44.116 42.059 -0.039 0.000 1.268 165 L HN -0.033 nan 8.230 nan 0.000 0.428 166 P HA 0.334 nan 4.420 nan 0.000 0.278 166 P C -2.723 174.542 177.300 -0.058 0.000 1.266 166 P CA -1.934 61.140 63.100 -0.043 0.000 0.807 166 P CB -0.085 31.594 31.700 -0.035 0.000 1.094 167 P HA 0.170 nan 4.420 nan 0.000 0.266 167 P C -0.296 176.960 177.300 -0.073 0.000 1.195 167 P CA 0.633 63.694 63.100 -0.064 0.000 0.768 167 P CB 0.152 31.826 31.700 -0.045 0.000 0.838 168 I N 1.953 122.461 120.570 -0.103 0.000 2.321 168 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 168 I C 0.732 176.818 176.117 -0.053 0.000 0.998 168 I CA -0.908 60.328 61.300 -0.107 0.000 1.227 168 I CB 1.336 39.203 38.000 -0.222 0.000 1.368 168 I HN 0.352 nan 8.210 nan 0.000 0.466 169 A N 8.446 131.263 122.820 -0.005 0.000 2.507 169 A HA 0.324 4.644 4.320 -0.000 0.000 0.235 169 A C -2.300 175.331 177.584 0.079 0.000 1.070 169 A CA -0.790 51.262 52.037 0.025 0.000 0.768 169 A CB -0.604 18.406 19.000 0.016 0.000 1.011 169 A HN 0.439 nan 8.150 nan 0.000 0.502 170 P HA 0.036 nan 4.420 nan 0.000 0.266 170 P C -0.519 176.858 177.300 0.128 0.000 1.195 170 P CA 0.550 63.715 63.100 0.108 0.000 0.768 170 P CB 0.265 32.009 31.700 0.074 0.000 0.838 171 H N 2.126 121.229 119.070 0.055 0.000 2.638 171 H HA 0.170 4.726 4.556 -0.000 0.000 0.303 171 H C 0.848 176.176 175.328 -0.000 0.000 1.034 171 H CA -0.156 55.891 56.048 -0.001 0.000 1.225 171 H CB 0.924 30.613 29.762 -0.122 0.000 1.394 171 H HN 0.325 nan 8.280 nan 0.000 0.477 172 S N 1.742 117.530 115.700 0.146 0.000 2.507 172 S HA -0.054 4.415 4.470 -0.000 0.000 0.235 172 S C 1.874 176.587 174.600 0.189 0.000 0.988 172 S CA 0.583 58.862 58.200 0.133 0.000 0.944 172 S CB 0.031 63.262 63.200 0.053 0.000 0.762 172 S HN 0.614 nan 8.310 nan 0.000 0.526 173 G N 0.545 109.579 108.800 0.390 0.000 2.985 173 G HA2 0.403 4.363 3.960 -0.000 0.000 0.209 173 G HA3 0.403 4.363 3.960 -0.000 0.000 0.209 173 G C 0.180 175.098 174.900 0.030 0.000 1.165 173 G CA -0.282 44.951 45.100 0.221 0.000 0.776 173 G HN 0.468 nan 8.290 nan 0.000 0.541 174 L N 0.738 121.971 121.223 0.017 0.000 2.346 174 L HA 0.576 4.916 4.340 -0.000 0.000 0.276 174 L C 1.062 177.968 176.870 0.061 0.000 1.006 174 L CA -1.141 53.662 54.840 -0.062 0.000 0.817 174 L CB 1.949 43.894 42.059 -0.191 0.000 1.272 174 L HN 0.104 nan 8.230 nan 0.000 0.421 175 G N 0.092 108.945 108.800 0.088 0.000 2.683 175 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.260 175 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.260 175 G C 0.280 175.324 174.900 0.239 0.000 1.238 175 G CA 0.083 45.286 45.100 0.173 0.000 0.934 175 G HN 0.690 nan 8.290 nan 0.000 0.534 176 Y N 0.612 121.034 120.300 0.203 0.000 2.145 176 Y HA -0.102 4.448 4.550 -0.000 0.000 0.286 176 Y C 2.809 178.878 175.900 0.283 0.000 1.145 176 Y CA 2.561 60.813 58.100 0.254 0.000 1.148 176 Y CB -0.343 38.325 38.460 0.347 0.000 0.981 176 Y HN 0.396 nan 8.280 nan 0.000 0.507 177 A N -0.021 123.124 122.820 0.543 0.000 1.872 177 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 177 A C 2.117 179.897 177.584 0.328 0.000 1.187 177 A CA 1.710 54.082 52.037 0.558 0.000 0.614 177 A CB -0.728 18.569 19.000 0.496 0.000 0.826 177 A HN 0.646 nan 8.150 nan 0.000 0.442 178 Q N -0.753 119.176 119.800 0.215 0.000 2.084 178 Q HA -0.213 4.126 4.340 -0.000 0.000 0.202 178 Q C 2.089 178.134 176.000 0.075 0.000 0.978 178 Q CA 1.591 57.459 55.803 0.110 0.000 0.844 178 Q CB -0.262 28.506 28.738 0.050 0.000 0.898 178 Q HN 0.770 nan 8.270 nan 0.000 0.426 179 N N 0.449 119.197 118.700 0.080 0.000 2.084 179 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 179 N C 1.400 176.949 175.510 0.064 0.000 1.030 179 N CA 1.108 54.204 53.050 0.076 0.000 0.849 179 N CB -0.281 38.249 38.487 0.071 0.000 1.012 179 N HN 0.231 nan 8.380 nan 0.000 0.423 180 F N 0.692 120.550 119.950 -0.154 0.000 2.126 180 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 180 F C 1.830 177.482 175.800 -0.247 0.000 1.096 180 F CA 1.166 59.020 58.000 -0.243 0.000 1.255 180 F CB -0.089 38.713 39.000 -0.329 0.000 0.997 180 F HN 0.067 nan 8.300 nan 0.000 0.479 181 L N -0.587 120.485 121.223 -0.253 0.000 2.046 181 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 181 L C 2.454 179.208 176.870 -0.193 0.000 1.077 181 L CA 1.694 56.375 54.840 -0.265 0.000 0.747 181 L CB -1.050 40.982 42.059 -0.045 0.000 0.896 181 L HN 0.240 nan 8.230 nan 0.000 0.432 182 H N 0.204 119.176 119.070 -0.163 0.000 2.321 182 H HA -0.171 4.385 4.556 -0.000 0.000 0.300 182 H C 2.285 177.507 175.328 -0.177 0.000 1.087 182 H CA 1.869 57.849 56.048 -0.113 0.000 1.319 182 H CB 0.008 29.735 29.762 -0.058 0.000 1.379 182 H HN 0.140 nan 8.280 nan 0.000 0.501 183 M N -1.005 118.430 119.600 -0.274 0.000 2.296 183 M HA -0.162 4.318 4.480 -0.000 0.000 0.265 183 M C 2.337 178.339 176.300 -0.498 0.000 1.064 183 M CA 1.038 56.134 55.300 -0.340 0.000 1.109 183 M CB -0.109 32.368 32.600 -0.205 0.000 1.396 183 M HN 0.420 nan 8.290 nan 0.000 0.430 184 C N -0.679 118.155 119.300 -0.777 0.000 2.486 184 C HA -0.044 4.416 4.460 -0.000 0.000 0.279 184 C C 2.079 176.548 174.990 -0.869 0.000 1.302 184 C CA 0.589 58.982 59.018 -1.042 0.000 1.720 184 C CB -0.650 26.038 27.740 -1.753 0.000 2.030 184 C HN 0.487 nan 8.230 nan 0.000 0.490 185 F N -0.618 119.159 119.950 -0.287 0.000 2.784 185 F HA 0.355 4.882 4.527 -0.000 0.000 0.323 185 F C 1.859 177.529 175.800 -0.216 0.000 1.085 185 F CA 0.515 58.378 58.000 -0.230 0.000 1.196 185 F CB -0.869 37.995 39.000 -0.226 0.000 1.053 185 F HN 0.217 nan 8.300 nan 0.000 0.578 186 G N 1.314 110.003 108.800 -0.185 0.000 2.143 186 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 186 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 186 G C 0.001 174.881 174.900 -0.033 0.000 0.991 186 G CA 0.481 45.435 45.100 -0.243 0.000 0.689 186 G HN 0.512 nan 8.290 nan 0.000 0.522 187 E N -1.650 118.590 120.200 0.065 0.000 2.413 187 E HA 0.670 5.019 4.350 -0.000 0.000 0.277 187 E C -0.980 175.708 176.600 0.148 0.000 0.958 187 E CA -1.277 55.196 56.400 0.121 0.000 0.779 187 E CB 2.058 31.782 29.700 0.040 0.000 1.278 187 E HN 0.289 nan 8.360 nan 0.000 0.456 188 V N 3.010 122.981 119.914 0.095 0.000 2.333 188 V HA 0.330 4.449 4.120 -0.000 0.000 0.274 188 V C -1.680 174.423 176.094 0.015 0.000 1.028 188 V CA -1.107 61.222 62.300 0.048 0.000 0.851 188 V CB 0.489 32.313 31.823 0.002 0.000 1.000 188 V HN 0.696 nan 8.190 nan 0.000 0.456 189 P HA 0.309 nan 4.420 nan 0.000 0.297 189 P C -0.301 176.982 177.300 -0.028 0.000 1.303 189 P CA -0.699 62.378 63.100 -0.039 0.000 0.753 189 P CB 0.714 32.364 31.700 -0.085 0.000 1.281 190 E N -0.827 119.346 120.200 -0.045 0.000 2.534 190 E HA -0.022 4.328 4.350 -0.000 0.000 0.264 190 E C 1.319 177.913 176.600 -0.009 0.000 0.981 190 E CA 0.687 57.068 56.400 -0.031 0.000 0.948 190 E CB -0.512 29.163 29.700 -0.042 0.000 0.934 190 E HN 0.279 nan 8.360 nan 0.000 0.459 191 T N 2.264 116.816 114.554 -0.003 0.000 2.685 191 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 191 T C 1.749 176.459 174.700 0.017 0.000 1.034 191 T CA 1.679 63.786 62.100 0.011 0.000 1.149 191 T CB -0.230 68.641 68.868 0.005 0.000 0.860 191 T HN 0.621 nan 8.240 nan 0.000 0.449 192 A N 0.596 123.418 122.820 0.004 0.000 1.933 192 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 192 A C 2.585 180.181 177.584 0.020 0.000 1.175 192 A CA 1.366 53.406 52.037 0.004 0.000 0.628 192 A CB -0.849 18.145 19.000 -0.011 0.000 0.814 192 A HN 0.388 nan 8.150 nan 0.000 0.444 193 V N -0.597 119.325 119.914 0.013 0.000 2.323 193 V HA -0.194 3.925 4.120 -0.000 0.000 0.244 193 V C 2.581 178.739 176.094 0.106 0.000 1.041 193 V CA 1.856 64.172 62.300 0.027 0.000 1.025 193 V CB -0.700 31.097 31.823 -0.043 0.000 0.656 193 V HN 0.367 nan 8.190 nan 0.000 0.451 194 V N 0.099 120.072 119.914 0.099 0.000 2.287 194 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 194 V C 2.742 178.950 176.094 0.190 0.000 1.053 194 V CA 2.487 64.887 62.300 0.167 0.000 1.027 194 V CB -0.882 31.012 31.823 0.118 0.000 0.646 194 V HN 0.662 nan 8.190 nan 0.000 0.447 195 S N 0.307 116.075 115.700 0.113 0.000 2.370 195 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 195 S C 2.088 176.735 174.600 0.078 0.000 1.033 195 S CA 1.874 60.123 58.200 0.082 0.000 1.011 195 S CB -0.392 62.833 63.200 0.042 0.000 0.852 195 S HN 0.613 nan 8.310 nan 0.000 0.457 196 A N 0.394 123.267 122.820 0.089 0.000 1.930 196 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 196 A C 2.003 179.670 177.584 0.139 0.000 1.175 196 A CA 1.474 53.557 52.037 0.077 0.000 0.627 196 A CB -1.078 17.962 19.000 0.068 0.000 0.815 196 A HN 0.685 nan 8.150 nan 0.000 0.443 197 F N 0.813 120.823 119.950 0.101 0.000 2.134 197 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 197 F C 2.161 178.014 175.800 0.089 0.000 1.097 197 F CA 2.070 60.161 58.000 0.153 0.000 1.264 197 F CB -0.312 38.817 39.000 0.216 0.000 1.001 197 F HN 0.422 nan 8.300 nan 0.000 0.479 198 E N -0.285 119.923 120.200 0.013 0.000 2.072 198 E HA -0.240 4.110 4.350 -0.000 0.000 0.191 198 E C 2.182 178.701 176.600 -0.134 0.000 0.985 198 E CA 1.476 57.828 56.400 -0.080 0.000 0.801 198 E CB -0.218 29.541 29.700 0.098 0.000 0.750 198 E HN 0.578 nan 8.360 nan 0.000 0.452 199 Q N -0.048 119.704 119.800 -0.080 0.000 2.084 199 Q HA -0.166 4.173 4.340 -0.000 0.000 0.202 199 Q C 2.377 178.274 176.000 -0.172 0.000 0.978 199 Q CA 1.466 57.212 55.803 -0.095 0.000 0.844 199 Q CB -0.230 28.463 28.738 -0.075 0.000 0.898 199 Q HN 0.211 nan 8.270 nan 0.000 0.426 200 S N 0.100 115.666 115.700 -0.224 0.000 2.370 200 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 200 S C 1.943 176.342 174.600 -0.334 0.000 1.033 200 S CA 0.947 58.955 58.200 -0.320 0.000 1.011 200 S CB 0.026 63.114 63.200 -0.186 0.000 0.852 200 S HN 0.227 nan 8.310 nan 0.000 0.457 201 M N 0.732 120.066 119.600 -0.443 0.000 2.175 201 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 201 M C 2.149 178.379 176.300 -0.118 0.000 1.063 201 M CA 1.203 56.194 55.300 -0.515 0.000 1.119 201 M CB -1.286 30.630 32.600 -1.140 0.000 1.377 201 M HN 0.392 nan 8.290 nan 0.000 0.415 202 I N 0.104 120.672 120.570 -0.003 0.000 2.179 202 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 202 I C 2.316 178.532 176.117 0.164 0.000 1.088 202 I CA 1.121 62.521 61.300 0.167 0.000 1.357 202 I CB -0.326 37.731 38.000 0.096 0.000 1.051 202 I HN 0.212 nan 8.210 nan 0.000 0.409 203 L N -0.921 120.297 121.223 -0.009 0.000 2.141 203 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 203 L C 2.107 178.996 176.870 0.031 0.000 1.094 203 L CA 1.085 55.893 54.840 -0.053 0.000 0.763 203 L CB -0.462 41.452 42.059 -0.242 0.000 0.908 203 L HN 0.258 nan 8.230 nan 0.000 0.437 204 Y N -0.389 119.856 120.300 -0.092 0.000 2.490 204 Y HA 0.134 4.684 4.550 -0.000 0.000 0.281 204 Y C 2.276 178.197 175.900 0.035 0.000 1.174 204 Y CA -0.219 57.780 58.100 -0.168 0.000 1.295 204 Y CB -0.630 37.578 38.460 -0.420 0.000 1.062 204 Y HN 0.065 nan 8.280 nan 0.000 0.522 205 A N -0.023 122.948 122.820 0.252 0.000 1.902 205 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 205 A C 0.635 178.212 177.584 -0.012 0.000 1.181 205 A CA 1.832 53.930 52.037 0.103 0.000 0.623 205 A CB -0.173 18.853 19.000 0.044 0.000 0.818 205 A HN 0.287 nan 8.150 nan 0.000 0.443 206 E N -2.158 118.084 120.200 0.070 0.000 2.354 206 E HA 0.409 4.759 4.350 -0.000 0.000 0.283 206 E C -1.086 175.755 176.600 0.401 0.000 0.938 206 E CA -0.542 55.897 56.400 0.065 0.000 0.777 206 E CB 0.591 30.070 29.700 -0.368 0.000 1.222 206 E HN 0.271 nan 8.360 nan 0.000 0.423 207 H N 3.571 122.794 119.070 0.254 0.000 3.083 207 H HA 0.347 4.903 4.556 -0.000 0.000 0.217 207 H C 0.374 175.847 175.328 0.241 0.000 1.397 207 H CA 0.279 56.503 56.048 0.295 0.000 1.248 207 H CB 0.356 30.328 29.762 0.350 0.000 2.199 207 H HN 0.938 nan 8.280 nan 0.000 0.521 208 G N 1.017 109.930 108.800 0.188 0.000 2.564 208 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.273 208 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.273 208 G C -0.159 174.928 174.900 0.311 0.000 1.242 208 G CA 0.176 45.383 45.100 0.180 0.000 0.951 208 G HN 0.271 nan 8.290 nan 0.000 0.564 209 F N 3.068 122.994 119.950 -0.041 0.000 2.871 209 F HA 0.274 4.801 4.527 -0.000 0.000 0.317 209 F C 1.370 177.148 175.800 -0.036 0.000 1.193 209 F CA -0.919 57.056 58.000 -0.042 0.000 1.311 209 F CB -1.471 37.491 39.000 -0.063 0.000 1.380 209 F HN 0.581 nan 8.300 nan 0.000 0.557 210 N N -0.232 118.589 118.700 0.202 0.000 2.297 210 N HA 0.207 4.947 4.740 -0.000 0.000 0.232 210 N C 1.345 176.929 175.510 0.123 0.000 1.311 210 N CA 0.308 53.427 53.050 0.116 0.000 0.897 210 N CB 0.626 39.243 38.487 0.216 0.000 1.137 210 N HN 0.119 nan 8.380 nan 0.000 0.449 211 A N 0.284 123.091 122.820 -0.022 0.000 1.948 211 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 211 A C 2.227 179.937 177.584 0.211 0.000 1.177 211 A CA 2.234 54.328 52.037 0.094 0.000 0.636 211 A CB -1.498 17.500 19.000 -0.003 0.000 0.815 211 A HN 0.846 nan 8.150 nan 0.000 0.449 212 S N -1.603 114.319 115.700 0.370 0.000 2.377 212 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 212 S C 1.880 176.483 174.600 0.005 0.000 1.030 212 S CA 1.627 59.938 58.200 0.185 0.000 0.970 212 S CB -1.110 62.271 63.200 0.301 0.000 0.830 212 S HN 0.443 nan 8.310 nan 0.000 0.473 213 T N 1.943 116.653 114.554 0.260 0.000 2.720 213 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 213 T C 1.296 175.975 174.700 -0.035 0.000 1.037 213 T CA 1.588 63.757 62.100 0.116 0.000 1.144 213 T CB -0.595 68.322 68.868 0.082 0.000 0.864 213 T HN 0.414 nan 8.240 nan 0.000 0.444 214 F N 2.213 122.074 119.950 -0.148 0.000 2.102 214 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 214 F C 2.491 178.187 175.800 -0.174 0.000 1.105 214 F CA 0.736 58.615 58.000 -0.202 0.000 1.239 214 F CB -1.032 37.899 39.000 -0.116 0.000 0.991 214 F HN 0.149 nan 8.300 nan 0.000 0.474 215 A N 0.411 123.117 122.820 -0.189 0.000 1.927 215 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 215 A C 2.455 179.841 177.584 -0.330 0.000 1.185 215 A CA 2.372 54.236 52.037 -0.288 0.000 0.639 215 A CB -1.637 17.246 19.000 -0.195 0.000 0.820 215 A HN 0.517 nan 8.150 nan 0.000 0.451 216 A N -0.505 122.115 122.820 -0.334 0.000 1.902 216 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 216 A C 2.251 179.691 177.584 -0.240 0.000 1.181 216 A CA 1.537 53.388 52.037 -0.309 0.000 0.623 216 A CB -0.448 18.343 19.000 -0.349 0.000 0.818 216 A HN 0.575 nan 8.150 nan 0.000 0.443 217 R N -0.693 119.651 120.500 -0.261 0.000 2.092 217 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 217 R C 2.012 178.128 176.300 -0.308 0.000 1.119 217 R CA 1.279 57.231 56.100 -0.246 0.000 0.970 217 R CB -0.506 29.640 30.300 -0.257 0.000 0.864 217 R HN 0.403 nan 8.270 nan 0.000 0.440 218 V N 0.550 120.182 119.914 -0.470 0.000 2.295 218 V HA -0.219 3.900 4.120 -0.000 0.000 0.246 218 V C 2.347 178.292 176.094 -0.249 0.000 1.049 218 V CA 1.643 63.692 62.300 -0.418 0.000 1.024 218 V CB -0.367 31.136 31.823 -0.533 0.000 0.648 218 V HN 0.110 nan 8.190 nan 0.000 0.447 219 V N -0.051 119.726 119.914 -0.227 0.000 2.343 219 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 219 V C 2.553 178.573 176.094 -0.124 0.000 1.051 219 V CA 2.606 64.811 62.300 -0.159 0.000 1.036 219 V CB -1.014 30.717 31.823 -0.154 0.000 0.654 219 V HN 0.619 nan 8.190 nan 0.000 0.451 220 T N 0.227 114.704 114.554 -0.128 0.000 2.915 220 T HA -0.146 4.203 4.350 -0.000 0.000 0.269 220 T C 2.061 176.714 174.700 -0.078 0.000 1.071 220 T CA 1.582 63.628 62.100 -0.090 0.000 1.132 220 T CB -0.309 68.511 68.868 -0.079 0.000 0.878 220 T HN 0.743 nan 8.240 nan 0.000 0.479 221 S N 1.883 117.524 115.700 -0.098 0.000 2.442 221 S HA -0.133 4.337 4.470 -0.000 0.000 0.236 221 S C 2.097 176.662 174.600 -0.059 0.000 1.007 221 S CA 1.491 59.646 58.200 -0.076 0.000 0.965 221 S CB -0.960 62.185 63.200 -0.091 0.000 0.773 221 S HN 0.665 nan 8.310 nan 0.000 0.504 222 T N -1.672 112.843 114.554 -0.064 0.000 3.148 222 T HA 0.215 4.565 4.350 -0.000 0.000 0.253 222 T C 0.634 175.310 174.700 -0.039 0.000 1.134 222 T CA 0.407 62.477 62.100 -0.050 0.000 1.051 222 T CB -0.679 68.157 68.868 -0.053 0.000 0.959 222 T HN 0.542 nan 8.240 nan 0.000 0.525 223 Q N -0.149 119.627 119.800 -0.040 0.000 2.493 223 Q HA -0.151 4.189 4.340 -0.000 0.000 0.260 223 Q C 0.165 176.148 176.000 -0.029 0.000 0.873 223 Q CA 0.529 56.313 55.803 -0.031 0.000 1.150 223 Q CB -2.209 26.515 28.738 -0.024 0.000 1.393 223 Q HN 0.611 nan 8.270 nan 0.000 0.607 224 S N 0.592 116.270 115.700 -0.037 0.000 2.608 224 S HA 0.224 4.694 4.470 -0.000 0.000 0.261 224 S C 0.146 174.733 174.600 -0.022 0.000 1.314 224 S CA 0.058 58.240 58.200 -0.030 0.000 0.992 224 S CB 0.682 63.858 63.200 -0.040 0.000 0.935 224 S HN 0.350 nan 8.310 nan 0.000 0.564 225 D N 0.588 120.988 120.400 -0.000 0.000 2.354 225 D HA 0.164 4.804 4.640 -0.000 0.000 0.247 225 D C 1.273 177.580 176.300 0.011 0.000 1.138 225 D CA -0.541 53.473 54.000 0.024 0.000 0.958 225 D CB 0.361 41.208 40.800 0.079 0.000 1.144 225 D HN 0.441 nan 8.370 nan 0.000 0.458 226 I N 0.145 120.704 120.570 -0.018 0.000 2.335 226 I HA -0.303 3.867 4.170 -0.000 0.000 0.251 226 I C 1.091 177.132 176.117 -0.127 0.000 1.129 226 I CA 1.240 62.476 61.300 -0.106 0.000 1.402 226 I CB -0.052 37.832 38.000 -0.195 0.000 1.069 226 I HN 0.486 nan 8.210 nan 0.000 0.424 227 Y N 0.289 120.579 120.300 -0.017 0.000 2.200 227 Y HA -0.203 4.347 4.550 -0.001 0.000 0.290 227 Y C 2.860 178.738 175.900 -0.037 0.000 1.137 227 Y CA 1.558 59.651 58.100 -0.011 0.000 1.163 227 Y CB -0.762 37.696 38.460 -0.004 0.000 0.988 227 Y HN 0.112 nan 8.280 nan 0.000 0.518 228 S N 0.052 115.821 115.700 0.115 0.000 2.359 228 S HA -0.292 4.178 4.470 -0.000 0.000 0.224 228 S C 2.357 176.926 174.600 -0.052 0.000 1.035 228 S CA 1.229 59.440 58.200 0.017 0.000 1.018 228 S CB -0.768 62.430 63.200 -0.004 0.000 0.876 228 S HN 0.538 nan 8.310 nan 0.000 0.448 229 A N 0.930 123.705 122.820 -0.075 0.000 1.902 229 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 229 A C 2.360 179.807 177.584 -0.228 0.000 1.181 229 A CA 1.634 53.582 52.037 -0.148 0.000 0.623 229 A CB -0.888 18.036 19.000 -0.128 0.000 0.818 229 A HN 0.354 nan 8.150 nan 0.000 0.443 230 V N -0.289 119.525 119.914 -0.167 0.000 2.358 230 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 230 V C 2.739 178.693 176.094 -0.233 0.000 1.047 230 V CA 2.377 64.550 62.300 -0.211 0.000 1.035 230 V CB -1.173 30.643 31.823 -0.011 0.000 0.658 230 V HN 0.621 nan 8.190 nan 0.000 0.452 231 T N 0.358 114.853 114.554 -0.098 0.000 2.720 231 T HA -0.149 4.200 4.350 -0.000 0.000 0.268 231 T C 1.907 176.519 174.700 -0.145 0.000 1.037 231 T CA 1.613 63.672 62.100 -0.069 0.000 1.144 231 T CB -0.671 68.194 68.868 -0.005 0.000 0.864 231 T HN 0.616 nan 8.240 nan 0.000 0.444 232 G N 1.225 109.914 108.800 -0.185 0.000 2.421 232 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 232 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 232 G C 1.886 176.597 174.900 -0.315 0.000 1.171 232 G CA 0.914 45.887 45.100 -0.211 0.000 0.775 232 G HN 0.581 nan 8.290 nan 0.000 0.543 233 A N 0.739 123.235 122.820 -0.541 0.000 1.917 233 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 233 A C 2.421 179.582 177.584 -0.705 0.000 1.182 233 A CA 1.551 53.044 52.037 -0.906 0.000 0.633 233 A CB -0.412 17.392 19.000 -1.992 0.000 0.819 233 A HN 0.409 nan 8.150 nan 0.000 0.448 234 I N -0.598 119.663 120.570 -0.515 0.000 2.179 234 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 234 I C 2.744 178.812 176.117 -0.082 0.000 1.088 234 I CA 1.085 62.313 61.300 -0.121 0.000 1.357 234 I CB -0.690 37.308 38.000 -0.002 0.000 1.051 234 I HN 0.411 nan 8.210 nan 0.000 0.409 235 G N 0.540 109.276 108.800 -0.108 0.000 2.476 235 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 235 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 235 G C 1.818 176.679 174.900 -0.065 0.000 1.164 235 G CA 0.986 46.042 45.100 -0.072 0.000 0.768 235 G HN 0.509 nan 8.290 nan 0.000 0.560 236 A N 0.164 122.935 122.820 -0.082 0.000 1.897 236 A HA 0.159 4.479 4.320 -0.000 0.000 0.215 236 A C 2.350 179.941 177.584 0.011 0.000 1.181 236 A CA 1.491 53.522 52.037 -0.011 0.000 0.620 236 A CB -0.466 18.540 19.000 0.010 0.000 0.821 236 A HN 0.382 nan 8.150 nan 0.000 0.443 237 L N 0.286 121.455 121.223 -0.089 0.000 2.129 237 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 237 L C 2.353 179.112 176.870 -0.184 0.000 1.087 237 L CA 2.474 57.135 54.840 -0.299 0.000 0.757 237 L CB -0.400 41.509 42.059 -0.249 0.000 0.896 237 L HN 0.510 nan 8.230 nan 0.000 0.434 238 K N -0.390 119.960 120.400 -0.083 0.000 2.147 238 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 238 K C 0.989 177.559 176.600 -0.050 0.000 1.049 238 K CA 0.740 56.985 56.287 -0.070 0.000 0.936 238 K CB -0.487 31.958 32.500 -0.093 0.000 0.722 238 K HN 0.424 nan 8.250 nan 0.000 0.446 239 G N 1.309 110.104 108.800 -0.008 0.000 2.484 239 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.235 239 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.235 239 G C 0.517 175.463 174.900 0.077 0.000 1.282 239 G CA -0.292 44.825 45.100 0.028 0.000 0.857 239 G HN 0.512 nan 8.290 nan 0.000 0.571 240 R N 1.383 121.929 120.500 0.077 0.000 2.293 240 R HA 0.002 4.341 4.340 -0.000 0.000 0.219 240 R C 1.203 177.588 176.300 0.142 0.000 1.091 240 R CA 0.856 57.027 56.100 0.118 0.000 1.004 240 R CB -0.253 30.114 30.300 0.112 0.000 0.865 240 R HN 0.496 nan 8.270 nan 0.000 0.469 241 L N -0.176 121.123 121.223 0.127 0.000 2.592 241 L HA 0.146 4.485 4.340 -0.000 0.000 0.227 241 L C 1.424 178.391 176.870 0.163 0.000 1.127 241 L CA 0.045 54.957 54.840 0.121 0.000 0.884 241 L CB -0.331 41.771 42.059 0.072 0.000 1.065 241 L HN 0.273 nan 8.230 nan 0.000 0.457 242 H N -0.470 118.645 119.070 0.077 0.000 4.756 242 H HA 0.300 4.856 4.556 -0.000 0.000 0.239 242 H C 1.463 176.868 175.328 0.129 0.000 1.372 242 H CA 0.410 56.508 56.048 0.083 0.000 0.781 242 H CB -0.055 29.727 29.762 0.034 0.000 1.367 242 H HN -0.148 nan 8.280 nan 0.000 0.487 243 G N -0.630 108.182 108.800 0.020 0.000 2.471 243 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 243 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 243 G C 1.462 176.471 174.900 0.181 0.000 1.125 243 G CA 0.690 45.803 45.100 0.021 0.000 0.775 243 G HN 0.604 nan 8.290 nan 0.000 0.548 244 G N 0.723 109.603 108.800 0.134 0.000 2.586 244 G HA2 0.105 4.065 3.960 -0.000 0.000 0.215 244 G HA3 0.105 4.065 3.960 -0.000 0.000 0.215 244 G C 1.780 176.814 174.900 0.225 0.000 1.128 244 G CA 1.204 46.403 45.100 0.164 0.000 0.774 244 G HN 0.565 nan 8.290 nan 0.000 0.543 245 A N 2.064 125.035 122.820 0.251 0.000 1.930 245 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 245 A C 2.275 180.028 177.584 0.281 0.000 1.175 245 A CA 1.937 54.130 52.037 0.261 0.000 0.627 245 A CB -0.447 18.711 19.000 0.262 0.000 0.815 245 A HN 0.529 nan 8.150 nan 0.000 0.443 246 N N 0.622 119.514 118.700 0.319 0.000 2.104 246 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 246 N C 1.532 177.292 175.510 0.417 0.000 1.024 246 N CA 1.925 55.171 53.050 0.327 0.000 0.853 246 N CB -0.791 37.884 38.487 0.313 0.000 1.008 246 N HN 0.699 nan 8.380 nan 0.000 0.424 247 E N 0.399 120.835 120.200 0.393 0.000 2.031 247 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 247 E C 1.864 178.539 176.600 0.126 0.000 0.994 247 E CA 1.404 57.914 56.400 0.183 0.000 0.800 247 E CB -0.311 29.501 29.700 0.186 0.000 0.752 247 E HN 0.471 nan 8.360 nan 0.000 0.447 248 A N 0.541 123.509 122.820 0.247 0.000 1.972 248 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 248 A C 2.394 180.123 177.584 0.242 0.000 1.169 248 A CA 1.291 53.501 52.037 0.288 0.000 0.635 248 A CB -0.592 18.567 19.000 0.264 0.000 0.810 248 A HN 0.248 nan 8.150 nan 0.000 0.446 249 V N -0.771 119.278 119.914 0.224 0.000 2.332 249 V HA -0.294 3.825 4.120 -0.000 0.000 0.248 249 V C 2.553 178.687 176.094 0.067 0.000 1.055 249 V CA 2.431 64.858 62.300 0.212 0.000 1.038 249 V CB -0.554 31.403 31.823 0.223 0.000 0.651 249 V HN 0.665 nan 8.190 nan 0.000 0.450 250 M N -1.043 118.551 119.600 -0.009 0.000 2.156 250 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 250 M C 2.095 178.232 176.300 -0.272 0.000 1.067 250 M CA 1.696 56.866 55.300 -0.217 0.000 1.131 250 M CB -0.758 31.734 32.600 -0.180 0.000 1.368 250 M HN 0.381 nan 8.290 nan 0.000 0.416 251 H N 0.056 119.074 119.070 -0.088 0.000 2.352 251 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 251 H C 1.673 176.981 175.328 -0.033 0.000 1.097 251 H CA 1.897 57.911 56.048 -0.057 0.000 1.311 251 H CB -0.545 29.227 29.762 0.016 0.000 1.377 251 H HN 0.387 nan 8.280 nan 0.000 0.504 252 D N 0.397 120.875 120.400 0.129 0.000 2.092 252 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 252 D C 2.439 178.594 176.300 -0.242 0.000 0.994 252 D CA 0.798 54.808 54.000 0.017 0.000 0.828 252 D CB -0.326 40.551 40.800 0.128 0.000 0.963 252 D HN 0.285 nan 8.370 nan 0.000 0.450 253 M N -0.015 119.484 119.600 -0.168 0.000 2.108 253 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 253 M C 2.318 178.608 176.300 -0.017 0.000 1.066 253 M CA 1.126 56.352 55.300 -0.123 0.000 1.107 253 M CB -0.300 32.223 32.600 -0.127 0.000 1.356 253 M HN 0.044 nan 8.290 nan 0.000 0.406 254 I N -0.221 120.289 120.570 -0.100 0.000 2.226 254 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 254 I C 2.452 178.596 176.117 0.046 0.000 1.100 254 I CA 1.389 62.703 61.300 0.022 0.000 1.374 254 I CB -0.520 37.442 38.000 -0.063 0.000 1.057 254 I HN 0.385 nan 8.210 nan 0.000 0.413 255 E N 1.583 121.784 120.200 0.001 0.000 2.085 255 E HA -0.238 4.111 4.350 -0.000 0.000 0.194 255 E C 2.289 178.841 176.600 -0.079 0.000 0.994 255 E CA 1.435 57.843 56.400 0.013 0.000 0.801 255 E CB -0.034 29.724 29.700 0.097 0.000 0.743 255 E HN 0.460 nan 8.360 nan 0.000 0.453 256 I N -0.386 120.022 120.570 -0.269 0.000 2.226 256 I HA -0.194 3.975 4.170 -0.000 0.000 0.245 256 I C 2.217 178.297 176.117 -0.062 0.000 1.100 256 I CA 1.186 62.325 61.300 -0.269 0.000 1.374 256 I CB -0.472 37.284 38.000 -0.407 0.000 1.057 256 I HN 0.525 nan 8.210 nan 0.000 0.413 257 G N 0.144 108.949 108.800 0.008 0.000 2.708 257 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.229 257 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.229 257 G C 0.277 175.149 174.900 -0.046 0.000 1.236 257 G CA 0.527 45.640 45.100 0.021 0.000 0.749 257 G HN 0.449 nan 8.290 nan 0.000 0.515 258 D N -0.034 120.343 120.400 -0.040 0.000 2.964 258 D HA 0.457 5.097 4.640 -0.000 0.000 0.234 258 D C -1.413 174.872 176.300 -0.025 0.000 1.223 258 D CA -1.237 52.731 54.000 -0.054 0.000 0.889 258 D CB 1.987 42.767 40.800 -0.032 0.000 1.609 258 D HN 0.024 nan 8.370 nan 0.000 0.523 259 P HA -0.193 nan 4.420 nan 0.000 0.218 259 P C 1.058 178.373 177.300 0.025 0.000 1.152 259 P CA 1.437 64.544 63.100 0.012 0.000 0.857 259 P CB 0.108 31.814 31.700 0.010 0.000 0.787 260 A N -0.466 122.364 122.820 0.016 0.000 2.121 260 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 260 A C 1.901 179.510 177.584 0.043 0.000 1.154 260 A CA 1.289 53.342 52.037 0.027 0.000 0.679 260 A CB -1.000 18.010 19.000 0.017 0.000 0.795 260 A HN 0.162 nan 8.150 nan 0.000 0.458 261 N N 0.082 118.809 118.700 0.045 0.000 2.412 261 N HA 0.126 4.866 4.740 -0.000 0.000 0.184 261 N C 1.619 177.202 175.510 0.121 0.000 1.101 261 N CA 0.902 53.997 53.050 0.076 0.000 0.881 261 N CB -0.214 38.312 38.487 0.067 0.000 0.969 261 N HN 0.450 nan 8.380 nan 0.000 0.459 262 A N 1.600 124.478 122.820 0.096 0.000 1.858 262 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 262 A C 2.268 179.977 177.584 0.207 0.000 1.190 262 A CA 1.091 53.212 52.037 0.141 0.000 0.617 262 A CB -0.461 18.597 19.000 0.098 0.000 0.827 262 A HN 0.148 nan 8.150 nan 0.000 0.443 263 R N -0.719 119.860 120.500 0.131 0.000 2.094 263 R HA -0.224 4.116 4.340 -0.000 0.000 0.239 263 R C 2.173 178.538 176.300 0.109 0.000 1.137 263 R CA 2.088 58.248 56.100 0.100 0.000 0.943 263 R CB -0.265 30.072 30.300 0.062 0.000 0.850 263 R HN 0.508 nan 8.270 nan 0.000 0.433 264 E N -0.398 119.874 120.200 0.119 0.000 2.106 264 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 264 E C 1.486 178.169 176.600 0.139 0.000 0.984 264 E CA 1.246 57.708 56.400 0.103 0.000 0.806 264 E CB -0.473 29.281 29.700 0.090 0.000 0.750 264 E HN 0.440 nan 8.360 nan 0.000 0.458 265 W N 0.298 121.608 121.300 0.017 0.000 2.355 265 W HA -0.202 4.458 4.660 -0.000 0.000 0.309 265 W C 1.940 178.464 176.519 0.009 0.000 1.206 265 W CA 1.871 59.230 57.345 0.023 0.000 1.284 265 W CB -0.502 28.984 29.460 0.043 0.000 1.145 265 W HN 0.248 nan 8.180 nan 0.000 0.502 266 L N 1.462 122.819 121.223 0.223 0.000 2.027 266 L HA -0.056 4.283 4.340 -0.000 0.000 0.206 266 L C 2.499 179.278 176.870 -0.150 0.000 1.074 266 L CA 2.044 56.870 54.840 -0.024 0.000 0.745 266 L CB -0.947 41.197 42.059 0.143 0.000 0.898 266 L HN -0.065 nan 8.230 nan 0.000 0.433 267 R N -0.404 120.056 120.500 -0.066 0.000 2.115 267 R HA -0.051 4.288 4.340 -0.000 0.000 0.230 267 R C 2.265 178.502 176.300 -0.106 0.000 1.111 267 R CA 1.079 57.133 56.100 -0.076 0.000 0.976 267 R CB -0.624 29.655 30.300 -0.034 0.000 0.870 267 R HN 0.545 nan 8.270 nan 0.000 0.445 268 A N 1.585 124.331 122.820 -0.123 0.000 1.908 268 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 268 A C 1.903 179.372 177.584 -0.192 0.000 1.181 268 A CA 1.464 53.419 52.037 -0.137 0.000 0.627 268 A CB -0.211 18.712 19.000 -0.129 0.000 0.818 268 A HN 0.204 nan 8.150 nan 0.000 0.445 269 K N -0.585 119.633 120.400 -0.304 0.000 2.062 269 K HA 0.112 4.432 4.320 -0.000 0.000 0.205 269 K C 1.824 178.299 176.600 -0.208 0.000 1.051 269 K CA 1.034 57.130 56.287 -0.318 0.000 0.941 269 K CB -0.277 31.900 32.500 -0.539 0.000 0.719 269 K HN 0.437 nan 8.250 nan 0.000 0.440 270 L N 0.527 121.638 121.223 -0.186 0.000 2.093 270 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 270 L C 2.526 179.339 176.870 -0.095 0.000 1.085 270 L CA 0.919 55.682 54.840 -0.128 0.000 0.755 270 L CB -0.530 41.458 42.059 -0.118 0.000 0.904 270 L HN 0.203 nan 8.230 nan 0.000 0.435 271 A N 0.057 122.822 122.820 -0.091 0.000 1.908 271 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 271 A C 2.274 179.819 177.584 -0.065 0.000 1.181 271 A CA 1.345 53.342 52.037 -0.068 0.000 0.627 271 A CB -0.454 18.510 19.000 -0.061 0.000 0.818 271 A HN 0.319 nan 8.150 nan 0.000 0.445 272 R N -0.813 119.640 120.500 -0.080 0.000 2.323 272 R HA 0.040 4.379 4.340 -0.000 0.000 0.198 272 R C -0.134 176.127 176.300 -0.064 0.000 0.988 272 R CA 0.529 56.586 56.100 -0.070 0.000 1.041 272 R CB -0.188 30.062 30.300 -0.084 0.000 0.926 272 R HN 0.520 nan 8.270 nan 0.000 0.476 273 K N 0.696 121.056 120.400 -0.066 0.000 3.088 273 K HA -0.205 4.115 4.320 -0.000 0.000 0.273 273 K C -0.827 175.740 176.600 -0.055 0.000 1.111 273 K CA 0.904 57.157 56.287 -0.056 0.000 0.803 273 K CB -1.029 31.447 32.500 -0.040 0.000 1.226 273 K HN 0.411 nan 8.250 nan 0.000 0.485 274 E N 0.885 121.040 120.200 -0.075 0.000 2.366 274 E HA 0.279 4.628 4.350 -0.000 0.000 0.266 274 E C 0.572 177.140 176.600 -0.053 0.000 1.051 274 E CA 0.007 56.368 56.400 -0.066 0.000 0.884 274 E CB 0.593 30.237 29.700 -0.094 0.000 1.006 274 E HN 0.277 nan 8.360 nan 0.000 0.417 275 K N 2.627 123.018 120.400 -0.015 0.000 2.237 275 K HA 0.219 4.539 4.320 -0.000 0.000 0.270 275 K C -0.199 176.427 176.600 0.042 0.000 1.015 275 K CA -0.309 55.989 56.287 0.017 0.000 0.949 275 K CB 0.282 32.808 32.500 0.044 0.000 0.976 275 K HN 0.330 nan 8.250 nan 0.000 0.472 276 I N 3.456 124.073 120.570 0.078 0.000 2.339 276 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 276 I C 0.305 176.608 176.117 0.310 0.000 0.994 276 I CA -1.200 60.202 61.300 0.170 0.000 1.191 276 I CB 1.081 39.122 38.000 0.069 0.000 1.343 276 I HN 0.672 nan 8.210 nan 0.000 0.458 277 M N 4.168 123.968 119.600 0.334 0.000 2.239 277 M HA 0.210 4.690 4.480 -0.000 0.000 0.348 277 M C 1.268 177.759 176.300 0.319 0.000 1.239 277 M CA 0.497 55.981 55.300 0.308 0.000 1.114 277 M CB 0.088 32.862 32.600 0.291 0.000 1.641 277 M HN 0.937 nan 8.290 nan 0.000 0.453 278 G N 2.800 111.709 108.800 0.183 0.000 2.175 278 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 278 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 278 G C -0.383 174.230 174.900 -0.478 0.000 0.982 278 G CA -0.463 44.617 45.100 -0.033 0.000 0.641 278 G HN 0.569 nan 8.290 nan 0.000 0.527 279 F N 0.411 120.362 119.950 0.003 0.000 2.539 279 F HA 0.640 5.167 4.527 -0.000 0.000 0.318 279 F C 0.684 176.507 175.800 0.038 0.000 1.135 279 F CA 0.095 58.070 58.000 -0.042 0.000 0.915 279 F CB 2.370 41.299 39.000 -0.119 0.000 1.176 279 F HN 0.985 nan 8.300 nan 0.000 0.440 280 G N 2.178 111.118 108.800 0.232 0.000 2.576 280 G HA2 0.253 4.213 3.960 -0.000 0.000 0.686 280 G HA3 0.253 4.213 3.960 -0.000 0.000 0.686 280 G C -2.177 172.874 174.900 0.252 0.000 1.242 280 G CA -1.008 44.213 45.100 0.201 0.000 0.819 280 G HN 0.997 nan 8.290 nan 0.000 0.655 281 H N 0.489 119.622 119.070 0.104 0.000 3.121 281 H HA 0.401 4.957 4.556 -0.000 0.000 0.337 281 H C 1.097 176.454 175.328 0.047 0.000 1.198 281 H CA -0.402 55.710 56.048 0.108 0.000 1.274 281 H CB 1.923 31.808 29.762 0.206 0.000 1.954 281 H HN 0.635 nan 8.280 nan 0.000 0.531 282 R N 2.306 122.734 120.500 -0.120 0.000 2.115 282 R HA -0.001 4.339 4.340 -0.000 0.000 0.230 282 R C 0.681 177.015 176.300 0.055 0.000 1.111 282 R CA 2.065 58.134 56.100 -0.050 0.000 0.976 282 R CB -0.261 29.954 30.300 -0.142 0.000 0.870 282 R HN 0.346 nan 8.270 nan 0.000 0.445 283 V N -1.172 118.900 119.914 0.263 0.000 2.721 283 V HA 0.148 4.267 4.120 -0.000 0.000 0.236 283 V C 0.122 176.204 176.094 -0.021 0.000 1.116 283 V CA 0.146 62.477 62.300 0.051 0.000 1.148 283 V CB -0.390 31.353 31.823 -0.133 0.000 0.886 283 V HN 0.011 nan 8.190 nan 0.000 0.490 284 Y N 1.451 121.809 120.300 0.096 0.000 2.442 284 Y HA 0.297 4.847 4.550 -0.000 0.000 0.330 284 Y C 1.458 177.330 175.900 -0.047 0.000 1.129 284 Y CA -0.012 58.053 58.100 -0.058 0.000 1.365 284 Y CB 0.325 38.663 38.460 -0.204 0.000 1.233 284 Y HN -0.012 nan 8.280 nan 0.000 0.529 285 R N 0.907 121.412 120.500 0.009 0.000 2.453 285 R HA 0.112 4.451 4.340 -0.000 0.000 0.233 285 R C -0.063 175.962 176.300 -0.459 0.000 0.895 285 R CA 0.383 56.318 56.100 -0.274 0.000 1.028 285 R CB 0.492 30.503 30.300 -0.481 0.000 1.255 285 R HN 0.754 nan 8.270 nan 0.000 0.571 286 H N -0.515 118.613 119.070 0.096 0.000 2.575 286 H HA 0.401 4.957 4.556 -0.000 0.000 0.256 286 H C 0.172 175.510 175.328 0.017 0.000 1.162 286 H CA 0.442 56.522 56.048 0.053 0.000 0.969 286 H CB 1.301 31.089 29.762 0.044 0.000 1.796 286 H HN 0.271 nan 8.280 nan 0.000 0.607 287 G N 1.250 110.080 108.800 0.049 0.000 2.841 287 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.684 287 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.684 287 G C -1.289 173.401 174.900 -0.350 0.000 1.273 287 G CA -0.936 44.120 45.100 -0.073 0.000 0.811 287 G HN 0.167 nan 8.290 nan 0.000 0.631 288 D N 1.415 121.507 120.400 -0.514 0.000 2.343 288 D HA 0.357 4.997 4.640 -0.000 0.000 0.255 288 D C 1.950 177.791 176.300 -0.765 0.000 1.187 288 D CA 0.437 53.775 54.000 -1.104 0.000 0.875 288 D CB 1.192 41.666 40.800 -0.544 0.000 1.136 288 D HN 0.673 nan 8.370 nan 0.000 0.469 289 S N 3.930 119.097 115.700 -0.888 0.000 2.493 289 S HA -0.172 4.297 4.470 -0.000 0.000 0.243 289 S C 1.440 175.916 174.600 -0.206 0.000 0.991 289 S CA 0.755 58.765 58.200 -0.317 0.000 0.957 289 S CB 0.006 63.152 63.200 -0.089 0.000 0.756 289 S HN 0.561 nan 8.310 nan 0.000 0.521 290 R N -0.127 120.232 120.500 -0.234 0.000 2.254 290 R HA 0.331 4.671 4.340 -0.000 0.000 0.193 290 R C 1.965 178.158 176.300 -0.178 0.000 0.929 290 R CA 0.414 56.411 56.100 -0.172 0.000 1.038 290 R CB -0.272 29.935 30.300 -0.155 0.000 1.009 290 R HN 0.265 nan 8.270 nan 0.000 0.512 291 V N 2.130 121.937 119.914 -0.178 0.000 2.343 291 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 291 V C -0.934 175.104 176.094 -0.093 0.000 1.051 291 V CA 1.929 64.159 62.300 -0.118 0.000 1.036 291 V CB -0.742 31.038 31.823 -0.072 0.000 0.654 291 V HN 0.178 nan 8.190 nan 0.000 0.451 292 P HA -0.103 nan 4.420 nan 0.000 0.216 292 P C 1.813 179.059 177.300 -0.091 0.000 1.153 292 P CA 1.640 64.697 63.100 -0.071 0.000 0.848 292 P CB -0.224 31.438 31.700 -0.063 0.000 0.787 293 T N -0.715 113.776 114.554 -0.104 0.000 2.684 293 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 293 T C 1.751 176.373 174.700 -0.130 0.000 1.036 293 T CA 1.682 63.716 62.100 -0.110 0.000 1.148 293 T CB -0.672 68.126 68.868 -0.116 0.000 0.863 293 T HN 0.029 nan 8.240 nan 0.000 0.436 294 M N 0.923 120.427 119.600 -0.160 0.000 2.288 294 M HA 0.147 4.627 4.480 -0.000 0.000 0.266 294 M C 2.034 178.218 176.300 -0.193 0.000 1.072 294 M CA 1.373 56.556 55.300 -0.194 0.000 1.132 294 M CB -0.299 32.146 32.600 -0.257 0.000 1.386 294 M HN -0.004 nan 8.290 nan 0.000 0.432 295 K N -0.418 119.873 120.400 -0.181 0.000 2.057 295 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 295 K C 2.069 178.545 176.600 -0.206 0.000 1.049 295 K CA 1.429 57.568 56.287 -0.248 0.000 0.931 295 K CB -0.037 32.348 32.500 -0.192 0.000 0.714 295 K HN 0.335 nan 8.250 nan 0.000 0.440 296 R N -0.108 120.309 120.500 -0.139 0.000 2.081 296 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 296 R C 2.407 178.647 176.300 -0.100 0.000 1.131 296 R CA 1.302 57.339 56.100 -0.105 0.000 0.960 296 R CB -0.347 29.906 30.300 -0.079 0.000 0.856 296 R HN 0.234 nan 8.270 nan 0.000 0.436 297 A N 1.362 124.120 122.820 -0.104 0.000 1.902 297 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 297 A C 2.106 179.639 177.584 -0.086 0.000 1.181 297 A CA 1.128 53.116 52.037 -0.082 0.000 0.623 297 A CB -0.485 18.467 19.000 -0.080 0.000 0.818 297 A HN 0.272 nan 8.150 nan 0.000 0.443 298 L N 0.190 121.334 121.223 -0.132 0.000 2.042 298 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 298 L C 2.057 178.860 176.870 -0.112 0.000 1.076 298 L CA 2.626 57.382 54.840 -0.140 0.000 0.749 298 L CB -0.745 41.168 42.059 -0.242 0.000 0.893 298 L HN 0.525 nan 8.230 nan 0.000 0.432 299 E N -0.647 119.476 120.200 -0.129 0.000 2.077 299 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 299 E C 2.278 178.843 176.600 -0.057 0.000 0.989 299 E CA 1.300 57.644 56.400 -0.093 0.000 0.800 299 E CB -0.154 29.488 29.700 -0.096 0.000 0.746 299 E HN 0.488 nan 8.360 nan 0.000 0.452 300 R N 0.352 120.819 120.500 -0.054 0.000 2.091 300 R HA -0.126 4.213 4.340 -0.000 0.000 0.238 300 R C 2.429 178.712 176.300 -0.029 0.000 1.136 300 R CA 1.308 57.386 56.100 -0.037 0.000 0.959 300 R CB -0.459 29.822 30.300 -0.033 0.000 0.856 300 R HN 0.098 nan 8.270 nan 0.000 0.437 301 V N 0.254 120.152 119.914 -0.028 0.000 2.358 301 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 301 V C 2.439 178.526 176.094 -0.011 0.000 1.047 301 V CA 2.022 64.310 62.300 -0.019 0.000 1.035 301 V CB -0.934 30.883 31.823 -0.011 0.000 0.658 301 V HN 0.532 nan 8.190 nan 0.000 0.452 302 G N 0.374 109.171 108.800 -0.005 0.000 2.450 302 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 302 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 302 G C 1.771 176.671 174.900 0.000 0.000 1.130 302 G CA 1.791 46.901 45.100 0.017 0.000 0.760 302 G HN 0.591 nan 8.290 nan 0.000 0.557 303 T N -1.005 113.540 114.554 -0.015 0.000 2.942 303 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 303 T C 2.339 177.026 174.700 -0.022 0.000 1.062 303 T CA 1.577 63.665 62.100 -0.020 0.000 1.139 303 T CB -0.238 68.616 68.868 -0.023 0.000 0.883 303 T HN 0.511 nan 8.240 nan 0.000 0.468 304 V N -1.595 118.303 119.914 -0.025 0.000 3.406 304 V HA 0.442 4.562 4.120 -0.000 0.000 0.263 304 V C 1.614 177.684 176.094 -0.040 0.000 1.172 304 V CA 0.109 62.389 62.300 -0.034 0.000 1.140 304 V CB -0.572 31.229 31.823 -0.038 0.000 0.784 304 V HN 0.216 nan 8.190 nan 0.000 0.467 305 R N 0.674 121.157 120.500 -0.030 0.000 2.629 305 R HA 0.234 4.574 4.340 -0.000 0.000 0.386 305 R C 0.318 176.619 176.300 0.002 0.000 1.071 305 R CA 0.520 56.601 56.100 -0.031 0.000 1.104 305 R CB -0.551 29.722 30.300 -0.045 0.000 1.370 305 R HN 0.613 nan 8.270 nan 0.000 0.574 306 D N 0.336 120.733 120.400 -0.005 0.000 2.723 306 D HA -0.145 4.495 4.640 -0.000 0.000 0.236 306 D C 0.630 176.937 176.300 0.010 0.000 1.138 306 D CA 1.231 55.226 54.000 -0.008 0.000 0.676 306 D CB -1.041 39.749 40.800 -0.016 0.000 1.069 306 D HN 0.488 nan 8.370 nan 0.000 0.430 307 G N -0.044 108.779 108.800 0.039 0.000 3.434 307 G HA2 0.075 4.035 3.960 -0.000 0.000 0.258 307 G HA3 0.075 4.035 3.960 -0.000 0.000 0.258 307 G C 1.039 175.940 174.900 0.003 0.000 1.128 307 G CA 0.392 45.553 45.100 0.102 0.000 0.792 307 G HN 0.266 nan 8.290 nan 0.000 0.539 308 Q N 1.185 120.949 119.800 -0.060 0.000 2.112 308 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 308 Q C 2.385 178.313 176.000 -0.120 0.000 0.987 308 Q CA 1.750 57.512 55.803 -0.068 0.000 0.858 308 Q CB -0.266 28.431 28.738 -0.068 0.000 0.905 308 Q HN 0.556 nan 8.270 nan 0.000 0.420 309 R N -1.263 119.070 120.500 -0.279 0.000 2.105 309 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 309 R C 1.733 177.827 176.300 -0.343 0.000 1.135 309 R CA 1.957 57.798 56.100 -0.431 0.000 0.967 309 R CB -0.424 29.413 30.300 -0.772 0.000 0.861 309 R HN 0.450 nan 8.270 nan 0.000 0.442 310 W N -0.068 121.239 121.300 0.012 0.000 2.658 310 W HA 0.115 4.775 4.660 -0.000 0.000 0.263 310 W C 1.717 178.248 176.519 0.020 0.000 1.274 310 W CA -0.343 57.005 57.345 0.005 0.000 1.343 310 W CB -0.007 29.457 29.460 0.007 0.000 1.106 310 W HN 0.038 nan 8.180 nan 0.000 0.615 311 L N 0.266 121.590 121.223 0.169 0.000 2.056 311 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 311 L C 1.949 178.905 176.870 0.144 0.000 1.078 311 L CA 1.152 56.052 54.840 0.099 0.000 0.749 311 L CB -0.675 41.397 42.059 0.022 0.000 0.901 311 L HN -0.085 nan 8.230 nan 0.000 0.433 312 D N 0.235 120.688 120.400 0.089 0.000 2.117 312 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 312 D C 2.314 178.689 176.300 0.125 0.000 0.982 312 D CA 1.182 55.230 54.000 0.080 0.000 0.828 312 D CB -0.017 40.789 40.800 0.011 0.000 0.967 312 D HN 0.275 nan 8.370 nan 0.000 0.464 313 I N 0.052 120.704 120.570 0.136 0.000 2.202 313 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 313 I C 2.313 178.573 176.117 0.238 0.000 1.091 313 I CA 0.816 62.212 61.300 0.160 0.000 1.368 313 I CB -0.305 37.802 38.000 0.178 0.000 1.058 313 I HN -0.008 nan 8.210 nan 0.000 0.410 314 Y N 1.965 122.343 120.300 0.130 0.000 2.040 314 Y HA -0.381 4.169 4.550 -0.000 0.000 0.275 314 Y C 2.705 178.780 175.900 0.292 0.000 1.171 314 Y CA 2.051 60.237 58.100 0.143 0.000 1.123 314 Y CB -0.490 37.949 38.460 -0.036 0.000 0.963 314 Y HN 0.173 nan 8.280 nan 0.000 0.493 315 Q N -0.976 119.097 119.800 0.454 0.000 2.050 315 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 315 Q C 2.322 178.442 176.000 0.200 0.000 0.980 315 Q CA 2.059 58.067 55.803 0.341 0.000 0.840 315 Q CB -0.280 28.610 28.738 0.253 0.000 0.898 315 Q HN 0.415 nan 8.270 nan 0.000 0.424 316 V N 0.753 120.766 119.914 0.166 0.000 2.307 316 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 316 V C 2.143 178.304 176.094 0.112 0.000 1.045 316 V CA 1.346 63.716 62.300 0.117 0.000 1.024 316 V CB -0.519 31.360 31.823 0.095 0.000 0.651 316 V HN 0.308 nan 8.190 nan 0.000 0.449 317 L N 0.869 122.184 121.223 0.152 0.000 2.046 317 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 317 L C 2.448 179.361 176.870 0.073 0.000 1.077 317 L CA 2.337 57.265 54.840 0.147 0.000 0.747 317 L CB -0.990 41.230 42.059 0.268 0.000 0.896 317 L HN 0.243 nan 8.230 nan 0.000 0.432 318 A N -0.787 122.111 122.820 0.130 0.000 1.902 318 A HA -0.088 4.231 4.320 -0.000 0.000 0.217 318 A C 2.424 180.034 177.584 0.044 0.000 1.181 318 A CA 1.807 53.901 52.037 0.094 0.000 0.623 318 A CB -1.062 17.978 19.000 0.066 0.000 0.818 318 A HN 0.544 nan 8.150 nan 0.000 0.443 319 A N -0.557 122.299 122.820 0.060 0.000 1.897 319 A HA -0.078 4.241 4.320 -0.000 0.000 0.215 319 A C 1.918 179.504 177.584 0.003 0.000 1.181 319 A CA 1.524 53.586 52.037 0.042 0.000 0.620 319 A CB -0.395 18.641 19.000 0.060 0.000 0.821 319 A HN 0.410 nan 8.150 nan 0.000 0.443 320 E N -0.796 119.403 120.200 -0.001 0.000 2.110 320 E HA -0.214 4.135 4.350 -0.000 0.000 0.193 320 E C 1.863 178.408 176.600 -0.091 0.000 0.988 320 E CA 1.588 57.974 56.400 -0.023 0.000 0.804 320 E CB -0.419 29.285 29.700 0.008 0.000 0.745 320 E HN 0.632 nan 8.360 nan 0.000 0.458 321 M N 0.676 120.165 119.600 -0.186 0.000 2.156 321 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 321 M C 2.055 178.228 176.300 -0.213 0.000 1.067 321 M CA 1.607 56.699 55.300 -0.348 0.000 1.131 321 M CB -0.366 31.687 32.600 -0.911 0.000 1.368 321 M HN 0.022 nan 8.290 nan 0.000 0.416 322 A N -1.154 121.596 122.820 -0.116 0.000 1.902 322 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 322 A C 2.343 179.907 177.584 -0.033 0.000 1.181 322 A CA 2.209 54.223 52.037 -0.039 0.000 0.623 322 A CB -1.386 17.621 19.000 0.012 0.000 0.818 322 A HN 0.600 nan 8.150 nan 0.000 0.443 323 S N -0.531 115.148 115.700 -0.034 0.000 2.356 323 S HA -0.010 4.460 4.470 -0.000 0.000 0.223 323 S C 2.125 176.705 174.600 -0.033 0.000 1.032 323 S CA 1.570 59.757 58.200 -0.023 0.000 1.005 323 S CB -0.422 62.770 63.200 -0.014 0.000 0.867 323 S HN 0.811 nan 8.310 nan 0.000 0.449 324 A N 0.004 122.790 122.820 -0.056 0.000 2.016 324 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 324 A C 2.169 179.718 177.584 -0.058 0.000 1.162 324 A CA 1.889 53.891 52.037 -0.059 0.000 0.662 324 A CB -0.546 18.407 19.000 -0.078 0.000 0.812 324 A HN 0.756 nan 8.150 nan 0.000 0.450 325 T N -7.031 107.483 114.554 -0.066 0.000 3.009 325 T HA 0.415 4.765 4.350 -0.000 0.000 0.267 325 T C 1.376 176.058 174.700 -0.030 0.000 0.942 325 T CA 1.047 63.114 62.100 -0.055 0.000 0.883 325 T CB 0.142 68.962 68.868 -0.081 0.000 1.192 325 T HN 1.690 nan 8.240 nan 0.000 0.524 326 G N 1.965 110.751 108.800 -0.023 0.000 2.175 326 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.265 326 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.265 326 G C 0.021 174.932 174.900 0.017 0.000 0.979 326 G CA 0.433 45.535 45.100 0.004 0.000 0.663 326 G HN 0.711 nan 8.290 nan 0.000 0.533 327 I N 1.039 121.611 120.570 0.003 0.000 2.371 327 I HA 0.411 4.580 4.170 -0.000 0.000 0.290 327 I C 0.956 177.146 176.117 0.121 0.000 1.028 327 I CA -0.662 60.669 61.300 0.051 0.000 1.345 327 I CB 0.969 38.997 38.000 0.046 0.000 1.407 327 I HN -0.019 nan 8.210 nan 0.000 0.501 328 L N 7.651 128.962 121.223 0.145 0.000 2.375 328 L HA 0.500 4.839 4.340 -0.000 0.000 0.268 328 L C -2.194 174.762 176.870 0.143 0.000 1.058 328 L CA -1.962 52.969 54.840 0.151 0.000 0.803 328 L CB 0.657 42.764 42.059 0.080 0.000 1.212 328 L HN 0.302 nan 8.230 nan 0.000 0.451 329 P HA 0.080 nan 4.420 nan 0.000 0.269 329 P C -1.471 175.737 177.300 -0.154 0.000 1.215 329 P CA -0.345 62.506 63.100 -0.414 0.000 0.780 329 P CB 0.327 31.815 31.700 -0.353 0.000 0.898 330 N N 1.168 119.787 118.700 -0.134 0.000 2.563 330 N HA 0.196 4.936 4.740 -0.000 0.000 0.288 330 N C 0.614 176.132 175.510 0.014 0.000 1.246 330 N CA -0.789 52.271 53.050 0.016 0.000 0.946 330 N CB -0.343 38.263 38.487 0.199 0.000 1.213 330 N HN 0.122 nan 8.380 nan 0.000 0.578 331 L N -0.232 120.997 121.223 0.009 0.000 2.127 331 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 331 L C 0.800 177.636 176.870 -0.056 0.000 1.089 331 L CA 1.895 56.687 54.840 -0.080 0.000 0.757 331 L CB -1.062 40.902 42.059 -0.158 0.000 0.899 331 L HN 0.564 nan 8.230 nan 0.000 0.434 332 D N -1.130 119.325 120.400 0.091 0.000 2.218 332 D HA -0.232 4.408 4.640 -0.000 0.000 0.204 332 D C 1.953 178.311 176.300 0.096 0.000 0.976 332 D CA 1.133 55.216 54.000 0.138 0.000 0.853 332 D CB -0.227 40.725 40.800 0.253 0.000 0.939 332 D HN 0.399 nan 8.370 nan 0.000 0.481 333 F N 1.997 121.889 119.950 -0.096 0.000 2.060 333 F HA -0.070 4.457 4.527 -0.000 0.000 0.295 333 F C -0.874 174.949 175.800 0.039 0.000 1.120 333 F CA 0.823 58.748 58.000 -0.124 0.000 1.205 333 F CB -1.152 37.611 39.000 -0.394 0.000 0.986 333 F HN -0.020 nan 8.300 nan 0.000 0.470 334 P HA -0.056 nan 4.420 nan 0.000 0.225 334 P C 1.395 178.542 177.300 -0.255 0.000 1.156 334 P CA 1.557 64.605 63.100 -0.087 0.000 0.787 334 P CB -0.282 31.360 31.700 -0.096 0.000 0.802 335 T N -0.326 114.038 114.554 -0.317 0.000 2.777 335 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 335 T C 2.124 176.479 174.700 -0.575 0.000 1.040 335 T CA 1.644 63.405 62.100 -0.565 0.000 1.141 335 T CB -1.143 67.297 68.868 -0.712 0.000 0.868 335 T HN 0.141 nan 8.240 nan 0.000 0.444 336 G N 2.991 111.613 108.800 -0.296 0.000 2.631 336 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 336 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 336 G C -0.459 174.391 174.900 -0.083 0.000 1.214 336 G CA 1.142 46.191 45.100 -0.085 0.000 0.785 336 G HN 0.428 nan 8.290 nan 0.000 0.596 337 P HA 0.072 nan 4.420 nan 0.000 0.222 337 P C 1.973 179.247 177.300 -0.043 0.000 1.153 337 P CA 1.674 64.692 63.100 -0.136 0.000 0.798 337 P CB -0.110 31.500 31.700 -0.150 0.000 0.796 338 A N -0.215 122.541 122.820 -0.107 0.000 1.865 338 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 338 A C 2.251 179.901 177.584 0.111 0.000 1.191 338 A CA 1.409 53.424 52.037 -0.036 0.000 0.623 338 A CB -1.932 17.005 19.000 -0.104 0.000 0.826 338 A HN 0.039 nan 8.150 nan 0.000 0.444 339 Y N -1.810 118.394 120.300 -0.160 0.000 2.181 339 Y HA -0.205 4.344 4.550 -0.000 0.000 0.288 339 Y C 2.315 178.197 175.900 -0.029 0.000 1.146 339 Y CA 0.762 58.773 58.100 -0.150 0.000 1.164 339 Y CB -1.369 36.552 38.460 -0.899 0.000 0.982 339 Y HN 0.538 nan 8.280 nan 0.000 0.515 340 Y N 0.117 120.477 120.300 0.101 0.000 2.145 340 Y HA -0.220 4.329 4.550 -0.000 0.000 0.286 340 Y C 2.226 178.141 175.900 0.025 0.000 1.145 340 Y CA 1.542 59.766 58.100 0.207 0.000 1.148 340 Y CB -0.613 37.857 38.460 0.016 0.000 0.981 340 Y HN 0.016 nan 8.280 nan 0.000 0.507 341 L N -0.751 120.493 121.223 0.034 0.000 2.217 341 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 341 L C 2.362 179.129 176.870 -0.171 0.000 1.107 341 L CA 1.064 55.880 54.840 -0.040 0.000 0.783 341 L CB -0.396 41.706 42.059 0.072 0.000 0.919 341 L HN 0.286 nan 8.230 nan 0.000 0.442 342 M N -0.922 118.566 119.600 -0.186 0.000 2.446 342 M HA -0.058 4.421 4.480 -0.000 0.000 0.263 342 M C 1.469 177.360 176.300 -0.681 0.000 1.066 342 M CA 1.361 56.426 55.300 -0.392 0.000 1.087 342 M CB -0.162 32.204 32.600 -0.390 0.000 1.406 342 M HN 0.465 nan 8.290 nan 0.000 0.459 343 G N -0.495 107.991 108.800 -0.523 0.000 2.179 343 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 343 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 343 G C -0.121 174.736 174.900 -0.072 0.000 0.990 343 G CA -0.714 44.089 45.100 -0.495 0.000 0.646 343 G HN 0.279 nan 8.290 nan 0.000 0.517 344 F N 1.648 121.751 119.950 0.255 0.000 2.471 344 F HA 0.498 5.025 4.527 -0.000 0.000 0.353 344 F C 0.914 176.936 175.800 0.371 0.000 1.113 344 F CA -0.911 57.293 58.000 0.340 0.000 1.262 344 F CB 0.547 39.730 39.000 0.305 0.000 1.146 344 F HN 0.117 nan 8.300 nan 0.000 0.578 345 D N 1.728 122.389 120.400 0.435 0.000 2.382 345 D HA 0.141 4.781 4.640 -0.000 0.000 0.245 345 D C 1.330 177.662 176.300 0.053 0.000 1.120 345 D CA 0.030 54.156 54.000 0.210 0.000 0.890 345 D CB 0.681 41.546 40.800 0.109 0.000 1.201 345 D HN 0.467 nan 8.370 nan 0.000 0.433 346 I N 2.825 123.233 120.570 -0.269 0.000 2.194 346 I HA -0.310 3.859 4.170 -0.000 0.000 0.246 346 I C 2.167 177.852 176.117 -0.720 0.000 1.093 346 I CA 1.407 62.094 61.300 -1.021 0.000 1.355 346 I CB -0.244 37.301 38.000 -0.758 0.000 1.046 346 I HN 0.543 nan 8.210 nan 0.000 0.413 347 A N -0.669 121.988 122.820 -0.271 0.000 2.172 347 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 347 A C 2.241 179.762 177.584 -0.106 0.000 1.154 347 A CA 1.418 53.348 52.037 -0.179 0.000 0.701 347 A CB -0.372 18.510 19.000 -0.196 0.000 0.789 347 A HN 0.378 nan 8.150 nan 0.000 0.465 348 S N -0.653 115.063 115.700 0.027 0.000 2.575 348 S HA 0.155 4.624 4.470 -0.000 0.000 0.215 348 S C 1.031 175.834 174.600 0.338 0.000 0.966 348 S CA -0.274 58.016 58.200 0.149 0.000 0.911 348 S CB -0.352 62.929 63.200 0.136 0.000 0.780 348 S HN 0.516 nan 8.310 nan 0.000 0.514 349 F N 2.707 122.759 119.950 0.171 0.000 2.134 349 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 349 F C 2.639 178.620 175.800 0.303 0.000 1.097 349 F CA 0.854 59.042 58.000 0.312 0.000 1.264 349 F CB -1.680 37.543 39.000 0.373 0.000 1.001 349 F HN 0.174 nan 8.300 nan 0.000 0.479 350 T N 0.382 115.203 114.554 0.445 0.000 2.812 350 T HA -0.060 4.290 4.350 -0.000 0.000 0.264 350 T C -0.546 174.277 174.700 0.206 0.000 1.042 350 T CA 1.041 63.332 62.100 0.319 0.000 1.140 350 T CB -1.286 67.734 68.868 0.254 0.000 0.870 350 T HN 0.086 nan 8.240 nan 0.000 0.445 351 P HA 0.050 nan 4.420 nan 0.000 0.219 351 P C 1.277 178.602 177.300 0.041 0.000 1.146 351 P CA 0.829 63.992 63.100 0.104 0.000 0.808 351 P CB -0.219 31.537 31.700 0.094 0.000 0.779 352 I N -2.356 118.236 120.570 0.036 0.000 2.353 352 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 352 I C 2.176 178.316 176.117 0.038 0.000 1.119 352 I CA 0.890 62.132 61.300 -0.098 0.000 1.417 352 I CB -0.536 37.276 38.000 -0.314 0.000 1.078 352 I HN -0.107 nan 8.210 nan 0.000 0.421 353 F N 1.697 121.603 119.950 -0.074 0.000 2.095 353 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 353 F C 2.386 177.971 175.800 -0.358 0.000 1.104 353 F CA 1.406 59.188 58.000 -0.363 0.000 1.232 353 F CB -0.808 37.860 39.000 -0.553 0.000 0.987 353 F HN -0.179 nan 8.300 nan 0.000 0.475 354 V N 0.709 120.601 119.914 -0.037 0.000 2.282 354 V HA -0.402 3.718 4.120 -0.000 0.000 0.249 354 V C 2.599 178.623 176.094 -0.117 0.000 1.057 354 V CA 2.375 64.583 62.300 -0.153 0.000 1.032 354 V CB -0.757 31.091 31.823 0.042 0.000 0.645 354 V HN 0.340 nan 8.190 nan 0.000 0.447 355 M N -0.281 119.283 119.600 -0.059 0.000 2.144 355 M HA -0.212 4.268 4.480 -0.000 0.000 0.260 355 M C 2.426 178.718 176.300 -0.012 0.000 1.067 355 M CA 2.312 57.593 55.300 -0.032 0.000 1.095 355 M CB -0.443 32.064 32.600 -0.154 0.000 1.365 355 M HN 0.448 nan 8.290 nan 0.000 0.406 356 S N -0.253 115.394 115.700 -0.088 0.000 2.371 356 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 356 S C 1.932 176.514 174.600 -0.030 0.000 1.036 356 S CA 0.942 59.105 58.200 -0.062 0.000 0.965 356 S CB -0.075 63.090 63.200 -0.059 0.000 0.845 356 S HN 0.317 nan 8.310 nan 0.000 0.475 357 R N 1.010 121.382 120.500 -0.213 0.000 2.235 357 R HA 0.190 4.530 4.340 -0.000 0.000 0.213 357 R C 1.844 177.689 176.300 -0.758 0.000 1.059 357 R CA 0.862 56.645 56.100 -0.528 0.000 0.997 357 R CB -1.241 28.542 30.300 -0.862 0.000 0.884 357 R HN 0.529 nan 8.270 nan 0.000 0.462 358 I N 0.790 121.087 120.570 -0.455 0.000 2.300 358 I HA -0.332 3.838 4.170 -0.000 0.000 0.252 358 I C 1.675 177.886 176.117 0.158 0.000 1.119 358 I CA 2.223 63.524 61.300 0.003 0.000 1.384 358 I CB -0.444 37.668 38.000 0.186 0.000 1.062 358 I HN 0.476 nan 8.210 nan 0.000 0.426 359 T N -2.190 112.367 114.554 0.005 0.000 2.668 359 T HA -0.058 4.291 4.350 -0.000 0.000 0.262 359 T C 2.106 176.789 174.700 -0.027 0.000 1.045 359 T CA 1.002 63.019 62.100 -0.138 0.000 1.152 359 T CB -1.713 66.851 68.868 -0.507 0.000 0.864 359 T HN 0.386 nan 8.240 nan 0.000 0.419 360 G N 0.248 109.012 108.800 -0.060 0.000 2.440 360 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 360 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 360 G C 1.406 176.532 174.900 0.377 0.000 1.154 360 G CA 0.716 45.883 45.100 0.113 0.000 0.767 360 G HN 0.471 nan 8.290 nan 0.000 0.552 361 W N 1.737 123.144 121.300 0.177 0.000 2.317 361 W HA -0.153 4.507 4.660 -0.000 0.000 0.318 361 W C 3.078 179.711 176.519 0.189 0.000 1.227 361 W CA 2.452 59.884 57.345 0.145 0.000 1.269 361 W CB -1.454 28.055 29.460 0.083 0.000 1.155 361 W HN 0.385 nan 8.180 nan 0.000 0.484 362 T N -2.217 112.635 114.554 0.496 0.000 2.904 362 T HA 0.101 4.451 4.350 -0.000 0.000 0.267 362 T C 1.986 176.888 174.700 0.336 0.000 1.059 362 T CA 1.552 63.871 62.100 0.366 0.000 1.137 362 T CB -0.748 68.336 68.868 0.360 0.000 0.879 362 T HN 0.015 nan 8.240 nan 0.000 0.467 363 A N 1.728 124.815 122.820 0.446 0.000 1.908 363 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 363 A C 2.345 180.022 177.584 0.156 0.000 1.181 363 A CA 1.572 53.794 52.037 0.309 0.000 0.627 363 A CB -1.112 18.013 19.000 0.209 0.000 0.818 363 A HN 0.717 nan 8.150 nan 0.000 0.445 364 H N -1.057 118.123 119.070 0.184 0.000 2.428 364 H HA 0.026 4.582 4.556 -0.000 0.000 0.296 364 H C 2.076 177.446 175.328 0.071 0.000 1.062 364 H CA 1.465 57.597 56.048 0.139 0.000 1.350 364 H CB -0.009 29.846 29.762 0.155 0.000 1.403 364 H HN 0.480 nan 8.280 nan 0.000 0.533 365 I N 0.475 121.153 120.570 0.179 0.000 2.202 365 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 365 I C 2.569 178.705 176.117 0.032 0.000 1.091 365 I CA 0.998 62.338 61.300 0.068 0.000 1.368 365 I CB -0.118 37.907 38.000 0.042 0.000 1.058 365 I HN 0.157 nan 8.210 nan 0.000 0.410 366 M N -0.164 119.455 119.600 0.032 0.000 2.080 366 M HA -0.264 4.215 4.480 -0.000 0.000 0.260 366 M C 2.299 178.602 176.300 0.005 0.000 1.068 366 M CA 1.824 57.123 55.300 -0.003 0.000 1.109 366 M CB -0.491 32.095 32.600 -0.024 0.000 1.342 366 M HN 0.191 nan 8.290 nan 0.000 0.405 367 E N 0.109 120.320 120.200 0.019 0.000 2.058 367 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 367 E C 2.017 178.635 176.600 0.030 0.000 0.997 367 E CA 1.673 58.083 56.400 0.017 0.000 0.801 367 E CB 0.014 29.715 29.700 0.000 0.000 0.746 367 E HN 0.337 nan 8.360 nan 0.000 0.450 368 Q N 0.403 120.224 119.800 0.035 0.000 2.050 368 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 368 Q C 1.834 177.836 176.000 0.003 0.000 0.980 368 Q CA 2.130 57.945 55.803 0.020 0.000 0.840 368 Q CB -0.462 28.274 28.738 -0.003 0.000 0.898 368 Q HN 0.297 nan 8.270 nan 0.000 0.424 369 A N -0.999 121.818 122.820 -0.005 0.000 2.019 369 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 369 A C 2.166 179.745 177.584 -0.008 0.000 1.164 369 A CA 1.805 53.834 52.037 -0.013 0.000 0.644 369 A CB -0.703 18.285 19.000 -0.021 0.000 0.805 369 A HN 0.472 nan 8.150 nan 0.000 0.449 370 T N -0.776 113.776 114.554 -0.003 0.000 3.067 370 T HA 0.376 4.726 4.350 -0.000 0.000 0.261 370 T C 0.734 175.438 174.700 0.005 0.000 1.110 370 T CA 1.050 63.149 62.100 -0.001 0.000 1.113 370 T CB 0.032 68.898 68.868 -0.002 0.000 0.917 370 T HN 0.629 nan 8.240 nan 0.000 0.499 371 A N 1.653 124.480 122.820 0.012 0.000 3.422 371 A HA 0.545 4.865 4.320 -0.000 0.000 0.271 371 A C -0.492 177.105 177.584 0.021 0.000 1.104 371 A CA -0.789 51.260 52.037 0.019 0.000 0.899 371 A CB 0.032 19.049 19.000 0.028 0.000 1.309 371 A HN 0.193 nan 8.150 nan 0.000 0.580 372 N N 0.954 119.660 118.700 0.011 0.000 2.509 372 N HA 0.801 5.540 4.740 -0.000 0.000 0.287 372 N C -0.389 175.126 175.510 0.007 0.000 1.121 372 N CA 0.548 53.601 53.050 0.005 0.000 0.977 372 N CB 1.454 39.937 38.487 -0.007 0.000 1.167 372 N HN 0.797 nan 8.380 nan 0.000 0.476 373 A N 2.052 124.876 122.820 0.006 0.000 2.517 373 A HA 0.439 4.759 4.320 -0.000 0.000 0.297 373 A C -1.363 176.219 177.584 -0.004 0.000 1.050 373 A CA -0.739 51.301 52.037 0.006 0.000 0.694 373 A CB 0.735 19.747 19.000 0.019 0.000 1.277 373 A HN 0.712 nan 8.150 nan 0.000 0.400 374 L N 2.519 123.736 121.223 -0.009 0.000 2.559 374 L HA 0.281 4.621 4.340 -0.000 0.000 0.274 374 L C -0.371 176.490 176.870 -0.016 0.000 1.205 374 L CA 0.702 55.530 54.840 -0.021 0.000 0.907 374 L CB -0.218 41.830 42.059 -0.019 0.000 1.153 374 L HN 0.490 nan 8.230 nan 0.000 0.490 375 I N 6.150 126.698 120.570 -0.037 0.000 2.291 375 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 375 I C -0.089 176.013 176.117 -0.025 0.000 1.064 375 I CA -0.227 61.056 61.300 -0.027 0.000 1.269 375 I CB 0.242 38.194 38.000 -0.081 0.000 1.418 375 I HN 0.576 nan 8.210 nan 0.000 0.485 376 R N 9.217 129.720 120.500 0.004 0.000 2.810 376 R HA 0.467 4.806 4.340 -0.000 0.000 0.280 376 R C -2.822 173.492 176.300 0.023 0.000 1.517 376 R CA -1.360 54.742 56.100 0.005 0.000 1.063 376 R CB 0.480 30.778 30.300 -0.004 0.000 1.275 376 R HN 0.325 nan 8.270 nan 0.000 0.464 377 P HA 0.419 nan 4.420 nan 0.000 0.282 377 P C -0.612 176.707 177.300 0.032 0.000 1.287 377 P CA -0.638 62.487 63.100 0.042 0.000 0.792 377 P CB 1.073 32.808 31.700 0.059 0.000 1.163 378 L N 0.111 121.354 121.223 0.033 0.000 2.352 378 L HA 0.469 4.808 4.340 -0.000 0.000 0.269 378 L C 0.662 177.555 176.870 0.037 0.000 1.034 378 L CA -0.623 54.236 54.840 0.031 0.000 0.806 378 L CB 1.531 43.607 42.059 0.027 0.000 1.244 378 L HN 0.545 nan 8.230 nan 0.000 0.447 379 S N 0.229 115.955 115.700 0.043 0.000 2.536 379 S HA 0.832 5.302 4.470 -0.000 0.000 0.298 379 S C -0.528 174.115 174.600 0.071 0.000 1.083 379 S CA -0.848 57.385 58.200 0.056 0.000 0.995 379 S CB 1.988 65.228 63.200 0.067 0.000 1.058 379 S HN 0.706 nan 8.310 nan 0.000 0.488 380 A N 1.482 124.345 122.820 0.072 0.000 2.293 380 A HA 0.666 4.986 4.320 -0.000 0.000 0.302 380 A C -1.165 176.504 177.584 0.142 0.000 1.119 380 A CA -0.550 51.540 52.037 0.089 0.000 0.823 380 A CB 0.288 19.319 19.000 0.053 0.000 1.097 380 A HN 0.913 nan 8.150 nan 0.000 0.491 381 Y N 0.933 121.236 120.300 0.005 0.000 2.341 381 Y HA 0.419 4.968 4.550 -0.000 0.000 0.337 381 Y C 0.693 176.594 175.900 0.002 0.000 1.014 381 Y CA -0.718 57.386 58.100 0.006 0.000 1.111 381 Y CB 1.790 40.256 38.460 0.009 0.000 1.194 381 Y HN 0.852 nan 8.280 nan 0.000 0.462 382 C N 2.562 121.538 119.300 -0.541 0.000 3.365 382 C HA 0.768 5.228 4.460 -0.000 0.000 0.266 382 C C 0.794 175.453 174.990 -0.551 0.000 1.631 382 C CA 0.020 58.798 59.018 -0.399 0.000 1.789 382 C CB -0.905 26.710 27.740 -0.208 0.000 3.088 382 C HN 0.954 nan 8.230 nan 0.000 0.547 383 G N -0.386 107.742 108.800 -1.120 0.000 2.568 383 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 383 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 383 G C -0.616 174.144 174.900 -0.234 0.000 1.347 383 G CA -0.429 44.287 45.100 -0.641 0.000 1.039 383 G HN 0.590 nan 8.290 nan 0.000 0.523 384 H N 0.365 119.437 119.070 0.003 0.000 3.140 384 H HA 0.287 4.843 4.556 -0.000 0.000 0.316 384 H C 1.143 176.613 175.328 0.238 0.000 0.986 384 H CA 0.954 57.064 56.048 0.104 0.000 1.397 384 H CB 0.285 30.100 29.762 0.088 0.000 1.377 384 H HN 0.704 nan 8.280 nan 0.000 0.585 385 E N 3.237 123.589 120.200 0.254 0.000 2.392 385 E HA 0.020 4.370 4.350 -0.000 0.000 0.259 385 E C 0.480 177.173 176.600 0.156 0.000 1.108 385 E CA -0.598 55.923 56.400 0.201 0.000 0.916 385 E CB 0.305 30.076 29.700 0.119 0.000 0.989 385 E HN 0.746 nan 8.360 nan 0.000 0.432 386 Q N 0.340 120.191 119.800 0.084 0.000 2.398 386 Q HA 0.037 4.377 4.340 -0.000 0.000 0.329 386 Q C 0.109 176.141 176.000 0.052 0.000 1.079 386 Q CA 0.931 56.761 55.803 0.046 0.000 1.041 386 Q CB 0.056 28.800 28.738 0.009 0.000 1.084 386 Q HN 0.642 nan 8.270 nan 0.000 0.386 387 R N 1.039 121.562 120.500 0.040 0.000 2.867 387 R HA 0.713 5.052 4.340 -0.000 0.000 0.268 387 R C -1.321 174.984 176.300 0.009 0.000 1.014 387 R CA -1.118 55.000 56.100 0.030 0.000 0.946 387 R CB 1.040 31.362 30.300 0.036 0.000 1.208 387 R HN 0.307 nan 8.270 nan 0.000 0.477 388 V N 1.845 121.762 119.914 0.006 0.000 2.567 388 V HA 0.180 4.300 4.120 -0.000 0.000 0.289 388 V C 0.044 176.133 176.094 -0.008 0.000 1.049 388 V CA -0.892 61.408 62.300 -0.001 0.000 0.969 388 V CB 1.366 33.191 31.823 0.002 0.000 0.995 388 V HN 0.500 nan 8.190 nan 0.000 0.471 389 L N 8.277 129.494 121.223 -0.010 0.000 2.477 389 L HA 0.322 4.662 4.340 -0.000 0.000 0.272 389 L C -1.351 175.513 176.870 -0.010 0.000 1.157 389 L CA -0.505 54.327 54.840 -0.013 0.000 0.889 389 L CB 0.186 42.238 42.059 -0.012 0.000 1.158 389 L HN 0.587 nan 8.230 nan 0.000 0.473 390 P HA 0.487 nan 4.420 nan 0.000 0.279 390 P C -0.020 177.276 177.300 -0.007 0.000 1.282 390 P CA 0.035 63.131 63.100 -0.008 0.000 0.788 390 P CB 0.408 32.103 31.700 -0.009 0.000 1.139 391 G N 0.000 108.797 108.800 -0.005 0.000 5.446 391 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 391 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 391 G CA 0.000 45.097 45.100 -0.004 0.000 0.502 391 G HN 0.000 nan 8.290 nan 0.000 0.925