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 1yx1_1_B DATA FIRST_RESID 3 DATA SEQUENCE LHPVSISLSS YGADLVRSRG QASFLPLLAX AGAQRVELRE ELFAGPPDTE DATA SEQUENCE ALTAAIQLQG LECVFSSPLE LWREDGQLNP ELEPTLRRAE ACGAGWLKVS DATA SEQUENCE LGLLPEQPDL AALGRRLARH GLQLLVENDQ TPQGGRIEVL ERFFRLAERQ DATA SEQUENCE QLDLAXTFDI GNWRWQEQAA DEAALRLGRY VGYVHCKAVI RNRDGKLVAV DATA SEQUENCE PPSAADLQYW QRLLQHFPEG VARAIEYPLQ GDDLLSLSRR HIAALARLGQ DATA SEQUENCE P 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.755 176.870 -0.192 0.000 1.165 3 L CA 0.000 54.733 54.840 -0.179 0.000 0.813 3 L CB 0.000 42.030 42.059 -0.049 0.000 0.961 4 H N 1.838 120.937 119.070 0.049 0.000 2.562 4 H HA 0.319 4.875 4.556 -0.001 0.000 0.352 4 H C -2.265 173.097 175.328 0.056 0.000 1.125 4 H CA -1.749 54.330 56.048 0.052 0.000 1.379 4 H CB 0.945 30.741 29.762 0.056 0.000 1.464 4 H HN 0.226 nan 8.280 nan 0.000 0.563 5 P HA 0.044 nan 4.420 nan 0.000 0.271 5 P C -0.410 176.958 177.300 0.114 0.000 1.216 5 P CA -0.098 63.074 63.100 0.119 0.000 0.771 5 P CB 0.923 32.680 31.700 0.095 0.000 0.864 6 V N 2.359 122.331 119.914 0.097 0.000 2.604 6 V HA 0.436 4.555 4.120 -0.001 0.000 0.305 6 V C 0.373 176.514 176.094 0.077 0.000 1.043 6 V CA -0.407 61.946 62.300 0.088 0.000 0.888 6 V CB 1.838 33.715 31.823 0.090 0.000 0.995 6 V HN 0.656 nan 8.190 nan 0.000 0.429 7 S N 4.519 120.264 115.700 0.074 0.000 2.578 7 S HA 0.778 5.247 4.470 -0.001 0.000 0.301 7 S C -0.852 173.747 174.600 -0.003 0.000 1.091 7 S CA -0.596 57.650 58.200 0.076 0.000 1.032 7 S CB 1.085 64.406 63.200 0.202 0.000 1.064 7 S HN 0.533 nan 8.310 nan 0.000 0.508 8 I N 2.931 123.495 120.570 -0.010 0.000 2.389 8 I HA 0.285 4.455 4.170 -0.001 0.000 0.288 8 I C 0.141 176.186 176.117 -0.120 0.000 0.999 8 I CA -0.564 60.672 61.300 -0.106 0.000 1.129 8 I CB 1.945 39.908 38.000 -0.061 0.000 1.288 8 I HN 0.567 nan 8.210 nan 0.000 0.444 9 S N 6.037 121.592 115.700 -0.240 0.000 2.488 9 S HA 0.270 4.739 4.470 -0.001 0.000 0.278 9 S C 1.182 175.617 174.600 -0.275 0.000 1.259 9 S CA -0.488 57.569 58.200 -0.238 0.000 1.061 9 S CB 0.480 63.472 63.200 -0.346 0.000 0.910 9 S HN 0.581 nan 8.310 nan 0.000 0.491 10 L N 4.656 125.750 121.223 -0.216 0.000 2.275 10 L HA -0.082 4.258 4.340 -0.001 0.000 0.215 10 L C 2.737 179.430 176.870 -0.294 0.000 1.119 10 L CA 1.140 55.836 54.840 -0.240 0.000 0.790 10 L CB -0.811 41.070 42.059 -0.297 0.000 0.919 10 L HN 0.868 nan 8.230 nan 0.000 0.443 11 S N -1.109 114.426 115.700 -0.276 0.000 2.420 11 S HA -0.225 4.244 4.470 -0.001 0.000 0.237 11 S C 2.051 176.493 174.600 -0.264 0.000 1.023 11 S CA 1.525 59.579 58.200 -0.243 0.000 0.991 11 S CB -0.552 62.522 63.200 -0.210 0.000 0.792 11 S HN 0.380 nan 8.310 nan 0.000 0.488 12 S N 1.020 116.490 115.700 -0.384 0.000 2.402 12 S HA -0.087 4.383 4.470 -0.001 0.000 0.233 12 S C 1.263 175.591 174.600 -0.455 0.000 1.030 12 S CA 1.473 59.380 58.200 -0.489 0.000 1.003 12 S CB -0.563 62.183 63.200 -0.757 0.000 0.813 12 S HN 0.741 nan 8.310 nan 0.000 0.477 13 Y N 1.136 121.304 120.300 -0.220 0.000 2.546 13 Y HA 0.338 4.887 4.550 -0.001 0.000 0.287 13 Y C 1.449 177.291 175.900 -0.096 0.000 1.158 13 Y CA 0.076 58.087 58.100 -0.148 0.000 1.307 13 Y CB -0.315 38.018 38.460 -0.211 0.000 1.036 13 Y HN 0.299 nan 8.280 nan 0.000 0.532 14 G N -0.485 108.301 108.800 -0.023 0.000 3.367 14 G HA2 0.121 4.081 3.960 -0.001 0.000 0.686 14 G HA3 0.121 4.081 3.960 -0.001 0.000 0.686 14 G C 0.600 175.477 174.900 -0.039 0.000 1.146 14 G CA -0.541 44.549 45.100 -0.017 0.000 0.913 14 G HN 0.401 nan 8.290 nan 0.000 0.554 15 A N 1.735 124.520 122.820 -0.059 0.000 1.908 15 A HA -0.005 4.315 4.320 -0.001 0.000 0.218 15 A C 2.085 179.644 177.584 -0.043 0.000 1.181 15 A CA 2.602 54.594 52.037 -0.075 0.000 0.627 15 A CB -0.284 18.673 19.000 -0.072 0.000 0.818 15 A HN 0.718 nan 8.150 nan 0.000 0.445 16 D N -0.568 119.823 120.400 -0.015 0.000 2.117 16 D HA -0.106 4.533 4.640 -0.001 0.000 0.198 16 D C 1.883 178.199 176.300 0.027 0.000 0.982 16 D CA 1.265 55.268 54.000 0.004 0.000 0.828 16 D CB -0.458 40.348 40.800 0.010 0.000 0.967 16 D HN 0.351 nan 8.370 nan 0.000 0.464 17 L N 0.618 121.870 121.223 0.048 0.000 2.012 17 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 17 L C 2.194 179.152 176.870 0.146 0.000 1.073 17 L CA 1.433 56.335 54.840 0.103 0.000 0.748 17 L CB -0.450 41.696 42.059 0.145 0.000 0.891 17 L HN -0.116 nan 8.230 nan 0.000 0.431 18 V N -0.133 119.819 119.914 0.063 0.000 2.358 18 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 18 V C 2.719 178.831 176.094 0.030 0.000 1.047 18 V CA 2.092 64.391 62.300 -0.002 0.000 1.035 18 V CB -0.696 30.948 31.823 -0.299 0.000 0.658 18 V HN 0.450 nan 8.190 nan 0.000 0.452 19 R N 0.820 121.312 120.500 -0.013 0.000 2.091 19 R HA -0.164 4.176 4.340 -0.001 0.000 0.238 19 R C 2.650 178.975 176.300 0.041 0.000 1.136 19 R CA 1.854 57.951 56.100 -0.005 0.000 0.959 19 R CB -0.579 29.714 30.300 -0.012 0.000 0.856 19 R HN 0.701 nan 8.270 nan 0.000 0.437 20 S N 0.499 116.231 115.700 0.052 0.000 2.371 20 S HA -0.100 4.370 4.470 -0.001 0.000 0.224 20 S C 1.965 176.604 174.600 0.064 0.000 1.029 20 S CA 0.697 58.929 58.200 0.053 0.000 0.978 20 S CB -0.099 63.127 63.200 0.044 0.000 0.833 20 S HN 0.253 nan 8.310 nan 0.000 0.466 21 R N 1.239 121.798 120.500 0.099 0.000 2.200 21 R HA 0.301 4.640 4.340 -0.001 0.000 0.208 21 R C 1.025 177.389 176.300 0.106 0.000 1.033 21 R CA 0.482 56.632 56.100 0.082 0.000 1.000 21 R CB -0.414 29.922 30.300 0.060 0.000 0.906 21 R HN 0.620 nan 8.270 nan 0.000 0.462 22 G N 0.699 109.586 108.800 0.146 0.000 2.721 22 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.686 22 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.686 22 G C -0.053 174.973 174.900 0.210 0.000 1.236 22 G CA -0.542 44.642 45.100 0.139 0.000 0.786 22 G HN 0.246 nan 8.290 nan 0.000 0.616 23 Q N 0.741 120.610 119.800 0.115 0.000 2.172 23 Q HA 0.077 4.416 4.340 -0.001 0.000 0.200 23 Q C 3.123 179.250 176.000 0.213 0.000 0.964 23 Q CA 1.758 57.622 55.803 0.101 0.000 0.855 23 Q CB -0.082 28.575 28.738 -0.134 0.000 0.918 23 Q HN 1.129 nan 8.270 nan 0.000 0.444 24 A N 1.348 124.273 122.820 0.175 0.000 1.978 24 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 24 A C 2.235 179.884 177.584 0.107 0.000 1.170 24 A CA 1.839 53.961 52.037 0.142 0.000 0.636 24 A CB -0.714 18.357 19.000 0.119 0.000 0.810 24 A HN 0.464 nan 8.150 nan 0.000 0.448 25 S N -1.323 114.427 115.700 0.082 0.000 2.469 25 S HA -0.064 4.406 4.470 -0.001 0.000 0.238 25 S C 1.369 175.830 174.600 -0.232 0.000 0.998 25 S CA 1.129 59.274 58.200 -0.091 0.000 0.957 25 S CB -0.740 62.342 63.200 -0.195 0.000 0.764 25 S HN 0.444 nan 8.310 nan 0.000 0.514 26 F N 1.223 121.127 119.950 -0.077 0.000 2.789 26 F HA 0.398 4.925 4.527 -0.001 0.000 0.300 26 F C 1.826 177.589 175.800 -0.062 0.000 1.132 26 F CA -0.118 57.808 58.000 -0.124 0.000 1.404 26 F CB -0.255 38.650 39.000 -0.159 0.000 1.114 26 F HN 0.150 nan 8.300 nan 0.000 0.584 27 L N 0.294 121.589 121.223 0.121 0.000 2.017 27 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 27 L C -0.409 176.494 176.870 0.055 0.000 1.073 27 L CA 1.239 56.136 54.840 0.095 0.000 0.745 27 L CB -2.058 40.054 42.059 0.089 0.000 0.894 27 L HN 0.030 nan 8.230 nan 0.000 0.432 28 P HA -0.209 nan 4.420 nan 0.000 0.215 28 P C 1.813 179.116 177.300 0.004 0.000 1.153 28 P CA 1.177 64.279 63.100 0.003 0.000 0.853 28 P CB 0.035 31.720 31.700 -0.026 0.000 0.788 29 L N -1.212 120.001 121.223 -0.018 0.000 2.012 29 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 29 L C 2.079 178.983 176.870 0.057 0.000 1.073 29 L CA 1.943 56.778 54.840 -0.008 0.000 0.748 29 L CB -1.441 40.575 42.059 -0.072 0.000 0.891 29 L HN -0.164 nan 8.230 nan 0.000 0.431 30 L N 0.126 121.404 121.223 0.092 0.000 2.042 30 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 30 L C 1.846 178.769 176.870 0.088 0.000 1.076 30 L CA 1.535 56.445 54.840 0.117 0.000 0.749 30 L CB -1.433 40.705 42.059 0.131 0.000 0.893 30 L HN 0.386 nan 8.230 nan 0.000 0.432 34 G N -0.788 108.054 108.800 0.070 0.000 2.148 34 G HA2 0.313 4.272 3.960 -0.001 0.000 0.203 34 G HA3 0.313 4.272 3.960 -0.001 0.000 0.203 34 G C 0.506 175.449 174.900 0.071 0.000 0.993 34 G CA 0.648 45.787 45.100 0.065 0.000 0.661 34 G HN 1.981 nan 8.290 nan 0.000 0.518 35 A N -0.646 122.221 122.820 0.078 0.000 2.304 35 A HA 0.746 5.065 4.320 -0.001 0.000 0.271 35 A C 1.047 178.676 177.584 0.076 0.000 1.091 35 A CA 0.549 52.633 52.037 0.079 0.000 0.812 35 A CB 0.608 19.659 19.000 0.085 0.000 1.056 35 A HN 0.272 nan 8.150 nan 0.000 0.489 36 Q N -0.484 119.361 119.800 0.076 0.000 2.378 36 Q HA 0.225 4.564 4.340 -0.001 0.000 0.216 36 Q C 0.579 176.628 176.000 0.082 0.000 0.892 36 Q CA 0.770 56.619 55.803 0.077 0.000 0.931 36 Q CB 0.524 29.308 28.738 0.076 0.000 1.086 36 Q HN 0.660 nan 8.270 nan 0.000 0.528 37 R N -0.336 120.210 120.500 0.077 0.000 2.626 37 R HA 0.569 4.909 4.340 -0.001 0.000 0.274 37 R C -1.833 174.515 176.300 0.080 0.000 1.031 37 R CA -0.564 55.581 56.100 0.075 0.000 0.898 37 R CB 1.861 32.172 30.300 0.018 0.000 1.222 37 R HN 0.023 nan 8.270 nan 0.000 0.455 38 V N 2.814 122.784 119.914 0.092 0.000 2.483 38 V HA 0.402 4.522 4.120 -0.001 0.000 0.295 38 V C -0.728 175.414 176.094 0.080 0.000 1.035 38 V CA -0.377 61.974 62.300 0.084 0.000 0.896 38 V CB 1.690 33.571 31.823 0.096 0.000 0.986 38 V HN 0.880 nan 8.190 nan 0.000 0.447 39 E N 6.180 126.411 120.200 0.052 0.000 2.092 39 E HA 0.436 4.786 4.350 -0.001 0.000 0.271 39 E C -1.091 175.487 176.600 -0.037 0.000 0.919 39 E CA -0.581 55.849 56.400 0.049 0.000 0.760 39 E CB 1.129 30.893 29.700 0.108 0.000 1.106 39 E HN 0.737 nan 8.360 nan 0.000 0.408 40 L N 3.994 125.191 121.223 -0.044 0.000 2.418 40 L HA 0.450 4.789 4.340 -0.001 0.000 0.265 40 L C 0.366 177.029 176.870 -0.345 0.000 1.143 40 L CA -0.751 53.987 54.840 -0.169 0.000 0.809 40 L CB 0.732 42.779 42.059 -0.020 0.000 1.124 40 L HN 0.422 nan 8.230 nan 0.000 0.456 41 R N 1.832 122.055 120.500 -0.462 0.000 2.409 41 R HA 0.159 4.499 4.340 -0.001 0.000 0.313 41 R C 0.392 176.393 176.300 -0.499 0.000 0.953 41 R CA -0.470 55.365 56.100 -0.442 0.000 0.849 41 R CB 1.522 31.626 30.300 -0.326 0.000 1.171 41 R HN 0.660 nan 8.270 nan 0.000 0.458 42 E N 2.334 122.267 120.200 -0.444 0.000 2.130 42 E HA -0.237 4.112 4.350 -0.001 0.000 0.196 42 E C 1.122 177.745 176.600 0.038 0.000 0.998 42 E CA 1.700 58.054 56.400 -0.076 0.000 0.806 42 E CB 0.487 30.169 29.700 -0.029 0.000 0.738 42 E HN 0.547 nan 8.360 nan 0.000 0.459 43 E N 0.473 120.620 120.200 -0.090 0.000 2.478 43 E HA -0.153 4.197 4.350 -0.001 0.000 0.198 43 E C 1.555 178.096 176.600 -0.100 0.000 1.046 43 E CA 0.525 56.889 56.400 -0.061 0.000 0.870 43 E CB -0.072 29.579 29.700 -0.080 0.000 0.818 43 E HN 0.419 nan 8.360 nan 0.000 0.527 44 L N 0.202 121.288 121.223 -0.229 0.000 2.607 44 L HA 0.262 4.602 4.340 -0.001 0.000 0.228 44 L C 0.013 176.706 176.870 -0.295 0.000 1.123 44 L CA -0.371 54.305 54.840 -0.273 0.000 0.890 44 L CB -0.105 41.743 42.059 -0.351 0.000 1.103 44 L HN -0.119 nan 8.230 nan 0.000 0.468 45 F N 0.332 120.267 119.950 -0.026 0.000 2.444 45 F HA 0.228 4.754 4.527 -0.000 0.000 0.360 45 F C 1.353 177.157 175.800 0.007 0.000 1.106 45 F CA -0.298 57.705 58.000 0.006 0.000 1.170 45 F CB 1.023 40.040 39.000 0.028 0.000 1.113 45 F HN -0.099 nan 8.300 nan 0.000 0.521 46 A N 3.046 125.966 122.820 0.168 0.000 1.968 46 A HA 0.365 4.684 4.320 -0.001 0.000 0.217 46 A C 1.325 178.970 177.584 0.102 0.000 1.169 46 A CA 1.286 53.384 52.037 0.101 0.000 0.638 46 A CB -0.620 18.422 19.000 0.072 0.000 0.812 46 A HN 0.797 nan 8.150 nan 0.000 0.446 47 G N -1.541 107.335 108.800 0.126 0.000 2.949 47 G HA2 0.535 4.495 3.960 -0.001 0.000 0.285 47 G HA3 0.535 4.495 3.960 -0.001 0.000 0.285 47 G C -3.091 171.850 174.900 0.069 0.000 1.395 47 G CA -1.289 43.860 45.100 0.082 0.000 0.901 47 G HN -0.003 nan 8.290 nan 0.000 0.519 48 P HA 0.200 nan 4.420 nan 0.000 0.262 48 P C -2.410 174.843 177.300 -0.077 0.000 1.182 48 P CA -0.484 62.584 63.100 -0.053 0.000 0.761 48 P CB -0.040 31.635 31.700 -0.042 0.000 0.795 49 P HA 0.120 nan 4.420 nan 0.000 0.274 49 P C -0.247 176.999 177.300 -0.090 0.000 1.231 49 P CA 0.016 62.989 63.100 -0.211 0.000 0.790 49 P CB 0.410 31.729 31.700 -0.635 0.000 0.951 50 D N 1.219 121.614 120.400 -0.007 0.000 2.483 50 D HA 0.011 4.651 4.640 -0.001 0.000 0.220 50 D C 1.122 177.424 176.300 0.004 0.000 1.173 50 D CA 0.060 54.061 54.000 0.001 0.000 0.964 50 D CB 0.090 40.907 40.800 0.029 0.000 1.046 50 D HN 0.315 nan 8.370 nan 0.000 0.517 51 T N 0.114 114.649 114.554 -0.032 0.000 2.833 51 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 51 T C 1.524 176.226 174.700 0.003 0.000 1.054 51 T CA 0.878 62.962 62.100 -0.026 0.000 1.135 51 T CB 0.009 68.838 68.868 -0.066 0.000 0.869 51 T HN 0.354 nan 8.240 nan 0.000 0.466 52 E N 1.128 121.327 120.200 -0.001 0.000 2.072 52 E HA 0.040 4.390 4.350 -0.001 0.000 0.191 52 E C 2.592 179.205 176.600 0.021 0.000 0.985 52 E CA 0.914 57.318 56.400 0.006 0.000 0.801 52 E CB -0.270 29.430 29.700 -0.000 0.000 0.750 52 E HN 0.678 nan 8.360 nan 0.000 0.452 53 A N 0.940 123.777 122.820 0.028 0.000 1.929 53 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 53 A C 2.054 179.673 177.584 0.057 0.000 1.176 53 A CA 0.703 52.763 52.037 0.038 0.000 0.628 53 A CB -0.376 18.647 19.000 0.039 0.000 0.816 53 A HN 0.197 nan 8.150 nan 0.000 0.444 54 L N 0.000 121.269 121.223 0.075 0.000 1.994 54 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 54 L C 2.516 179.442 176.870 0.094 0.000 1.071 54 L CA 2.768 57.674 54.840 0.110 0.000 0.745 54 L CB -1.324 40.828 42.059 0.155 0.000 0.892 54 L HN 0.390 nan 8.230 nan 0.000 0.431 55 T N -0.153 114.444 114.554 0.070 0.000 2.746 55 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 55 T C 1.892 176.622 174.700 0.049 0.000 1.039 55 T CA 1.376 63.510 62.100 0.057 0.000 1.142 55 T CB -0.524 68.364 68.868 0.033 0.000 0.866 55 T HN 0.493 nan 8.240 nan 0.000 0.444 56 A N 1.430 124.274 122.820 0.041 0.000 1.902 56 A HA 0.141 4.461 4.320 -0.001 0.000 0.217 56 A C 2.639 180.248 177.584 0.041 0.000 1.181 56 A CA 1.847 53.905 52.037 0.034 0.000 0.623 56 A CB -1.075 17.941 19.000 0.026 0.000 0.818 56 A HN 0.512 nan 8.150 nan 0.000 0.443 57 A N -0.058 122.793 122.820 0.051 0.000 1.898 57 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 57 A C 2.116 179.737 177.584 0.061 0.000 1.181 57 A CA 1.466 53.536 52.037 0.054 0.000 0.620 57 A CB -0.591 18.447 19.000 0.063 0.000 0.819 57 A HN 0.498 nan 8.150 nan 0.000 0.442 58 I N -0.492 120.122 120.570 0.074 0.000 2.142 58 I HA -0.346 3.823 4.170 -0.001 0.000 0.240 58 I C 2.808 178.965 176.117 0.066 0.000 1.078 58 I CA 1.785 63.133 61.300 0.080 0.000 1.343 58 I CB -0.530 37.527 38.000 0.096 0.000 1.046 58 I HN 0.426 nan 8.210 nan 0.000 0.405 59 Q N 0.194 120.027 119.800 0.055 0.000 2.124 59 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 59 Q C 2.275 178.299 176.000 0.040 0.000 0.977 59 Q CA 1.439 57.269 55.803 0.044 0.000 0.850 59 Q CB -0.313 28.445 28.738 0.034 0.000 0.901 59 Q HN 0.382 nan 8.270 nan 0.000 0.429 60 L N 0.716 121.961 121.223 0.037 0.000 2.079 60 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 60 L C 1.848 178.739 176.870 0.035 0.000 1.081 60 L CA 1.779 56.638 54.840 0.032 0.000 0.752 60 L CB -0.172 41.904 42.059 0.028 0.000 0.896 60 L HN 0.158 nan 8.230 nan 0.000 0.433 61 Q N -0.205 119.621 119.800 0.043 0.000 2.425 61 Q HA 0.199 4.538 4.340 -0.001 0.000 0.204 61 Q C 1.509 177.539 176.000 0.050 0.000 0.933 61 Q CA 0.760 56.591 55.803 0.045 0.000 0.939 61 Q CB -0.021 28.749 28.738 0.052 0.000 1.044 61 Q HN 0.650 nan 8.270 nan 0.000 0.513 62 G N 1.157 109.987 108.800 0.051 0.000 2.160 62 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.251 62 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.251 62 G C -0.035 174.906 174.900 0.068 0.000 1.008 62 G CA 0.178 45.311 45.100 0.055 0.000 0.724 62 G HN 0.269 nan 8.290 nan 0.000 0.514 63 L N -0.133 121.136 121.223 0.077 0.000 2.379 63 L HA 0.578 4.918 4.340 -0.001 0.000 0.269 63 L C 0.923 177.862 176.870 0.115 0.000 1.084 63 L CA -0.845 54.052 54.840 0.094 0.000 0.802 63 L CB 0.851 42.968 42.059 0.096 0.000 1.175 63 L HN 0.233 nan 8.230 nan 0.000 0.448 64 E N 0.071 120.358 120.200 0.145 0.000 2.280 64 E HA 0.412 4.761 4.350 -0.001 0.000 0.261 64 E C -1.191 175.542 176.600 0.222 0.000 1.088 64 E CA -0.622 55.909 56.400 0.218 0.000 0.915 64 E CB 1.967 31.862 29.700 0.325 0.000 1.141 64 E HN 0.458 nan 8.360 nan 0.000 0.433 65 C N 1.312 120.799 119.300 0.313 0.000 2.608 65 C HA 0.509 4.968 4.460 -0.001 0.000 0.325 65 C C -1.204 174.009 174.990 0.371 0.000 1.147 65 C CA -0.392 58.783 59.018 0.262 0.000 1.359 65 C CB 0.338 28.205 27.740 0.212 0.000 1.912 65 C HN 0.459 nan 8.230 nan 0.000 0.466 66 V N 5.589 125.648 119.914 0.243 0.000 2.459 66 V HA 0.468 4.588 4.120 -0.001 0.000 0.295 66 V C -0.435 175.810 176.094 0.252 0.000 1.029 66 V CA -0.360 62.083 62.300 0.238 0.000 0.874 66 V CB 1.579 33.365 31.823 -0.062 0.000 0.985 66 V HN 0.779 nan 8.190 nan 0.000 0.438 67 F N 4.042 124.070 119.950 0.130 0.000 2.385 67 F HA 0.570 5.097 4.527 -0.000 0.000 0.360 67 F C 0.475 176.326 175.800 0.085 0.000 1.122 67 F CA 0.065 58.130 58.000 0.108 0.000 1.090 67 F CB 1.431 40.490 39.000 0.099 0.000 1.150 67 F HN 0.481 nan 8.300 nan 0.000 0.472 68 S N 4.791 120.344 115.700 -0.245 0.000 2.462 68 S HA 0.573 5.043 4.470 -0.001 0.000 0.294 68 S C -0.629 173.827 174.600 -0.240 0.000 1.144 68 S CA -0.419 57.699 58.200 -0.138 0.000 1.088 68 S CB 1.015 64.158 63.200 -0.095 0.000 1.009 68 S HN 0.725 nan 8.310 nan 0.000 0.484 69 S N 4.100 119.772 115.700 -0.046 0.000 2.526 69 S HA 0.659 5.129 4.470 -0.001 0.000 0.293 69 S C -2.128 172.450 174.600 -0.037 0.000 1.092 69 S CA -1.668 56.530 58.200 -0.003 0.000 0.980 69 S CB 1.656 64.942 63.200 0.144 0.000 1.048 69 S HN 0.686 nan 8.310 nan 0.000 0.483 70 P HA 0.091 nan 4.420 nan 0.000 0.245 70 P C 0.659 177.923 177.300 -0.060 0.000 1.212 70 P CA -0.107 62.953 63.100 -0.066 0.000 0.774 70 P CB -0.216 31.445 31.700 -0.065 0.000 0.999 71 L N 1.005 122.203 121.223 -0.041 0.000 2.615 71 L HA -0.050 4.290 4.340 -0.001 0.000 0.284 71 L C 0.190 177.005 176.870 -0.090 0.000 1.237 71 L CA 0.563 55.369 54.840 -0.056 0.000 0.905 71 L CB 0.101 42.133 42.059 -0.046 0.000 1.149 71 L HN -0.040 nan 8.230 nan 0.000 0.499 72 E N 4.270 124.412 120.200 -0.096 0.000 2.174 72 E HA 0.050 4.400 4.350 -0.001 0.000 0.282 72 E C 0.484 176.982 176.600 -0.170 0.000 0.992 72 E CA -0.584 55.746 56.400 -0.116 0.000 0.803 72 E CB 1.818 31.471 29.700 -0.078 0.000 1.090 72 E HN 0.614 nan 8.360 nan 0.000 0.396 73 L N 3.748 124.811 121.223 -0.267 0.000 2.046 73 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 73 L C -0.205 176.295 176.870 -0.615 0.000 1.077 73 L CA 1.663 56.201 54.840 -0.503 0.000 0.747 73 L CB 0.127 41.759 42.059 -0.712 0.000 0.896 73 L HN 0.496 nan 8.230 nan 0.000 0.432 74 W N 0.546 121.765 121.300 -0.134 0.000 2.475 74 W HA 0.535 5.194 4.660 -0.001 0.000 0.317 74 W C 0.246 176.718 176.519 -0.079 0.000 1.046 74 W CA -0.938 56.348 57.345 -0.100 0.000 1.215 74 W CB 0.637 30.027 29.460 -0.116 0.000 1.335 74 W HN -0.189 nan 8.180 nan 0.000 0.471 75 R N 1.552 122.142 120.500 0.150 0.000 2.615 75 R HA 0.128 4.468 4.340 -0.001 0.000 0.270 75 R C 1.205 177.556 176.300 0.085 0.000 1.081 75 R CA -0.647 55.500 56.100 0.078 0.000 1.154 75 R CB 0.860 31.189 30.300 0.050 0.000 1.063 75 R HN 0.573 nan 8.270 nan 0.000 0.519 76 E N 1.298 121.525 120.200 0.044 0.000 2.187 76 E HA -0.243 4.106 4.350 -0.001 0.000 0.199 76 E C 0.775 177.392 176.600 0.029 0.000 1.004 76 E CA 1.779 58.197 56.400 0.029 0.000 0.813 76 E CB -0.038 29.671 29.700 0.015 0.000 0.736 76 E HN 0.622 nan 8.360 nan 0.000 0.468 77 D N -1.002 119.420 120.400 0.037 0.000 2.336 77 D HA 0.022 4.662 4.640 -0.001 0.000 0.229 77 D C 1.219 177.546 176.300 0.045 0.000 1.061 77 D CA 0.734 54.754 54.000 0.032 0.000 0.875 77 D CB 0.212 41.028 40.800 0.027 0.000 0.904 77 D HN 0.220 nan 8.370 nan 0.000 0.525 78 G N -0.459 108.383 108.800 0.069 0.000 2.176 78 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.253 78 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.253 78 G C 0.117 175.128 174.900 0.185 0.000 0.979 78 G CA -0.066 45.081 45.100 0.079 0.000 0.641 78 G HN 0.389 nan 8.290 nan 0.000 0.530 79 Q N -0.288 119.620 119.800 0.181 0.000 2.230 79 Q HA 0.587 4.926 4.340 -0.001 0.000 0.248 79 Q C 0.419 176.551 176.000 0.221 0.000 0.915 79 Q CA -0.901 55.018 55.803 0.193 0.000 0.900 79 Q CB 1.783 30.577 28.738 0.093 0.000 1.229 79 Q HN 0.343 nan 8.270 nan 0.000 0.439 80 L N 2.743 124.050 121.223 0.141 0.000 2.490 80 L HA -0.010 4.329 4.340 -0.001 0.000 0.274 80 L C 0.407 177.199 176.870 -0.130 0.000 1.201 80 L CA 0.345 55.084 54.840 -0.168 0.000 0.869 80 L CB 0.145 42.067 42.059 -0.230 0.000 1.123 80 L HN 0.499 nan 8.230 nan 0.000 0.484 81 N N 6.495 125.074 118.700 -0.202 0.000 2.414 81 N HA 0.016 4.756 4.740 -0.001 0.000 0.268 81 N C -1.799 173.648 175.510 -0.105 0.000 1.286 81 N CA -1.095 51.878 53.050 -0.129 0.000 0.896 81 N CB 0.987 39.384 38.487 -0.151 0.000 1.093 81 N HN 0.409 nan 8.380 nan 0.000 0.480 82 P HA -0.068 nan 4.420 nan 0.000 0.225 82 P C 0.377 177.643 177.300 -0.056 0.000 1.148 82 P CA 0.905 63.974 63.100 -0.052 0.000 0.779 82 P CB 0.454 32.136 31.700 -0.031 0.000 0.780 83 E N -0.729 119.434 120.200 -0.062 0.000 2.511 83 E HA -0.017 4.332 4.350 -0.001 0.000 0.196 83 E C 1.700 178.254 176.600 -0.076 0.000 1.066 83 E CA -0.017 56.348 56.400 -0.058 0.000 0.871 83 E CB -0.545 29.128 29.700 -0.045 0.000 0.863 83 E HN 0.220 nan 8.360 nan 0.000 0.520 84 L N 1.396 122.559 121.223 -0.101 0.000 1.994 84 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 84 L C 2.277 179.072 176.870 -0.126 0.000 1.071 84 L CA 1.943 56.708 54.840 -0.126 0.000 0.745 84 L CB -0.408 41.553 42.059 -0.163 0.000 0.892 84 L HN -0.066 nan 8.230 nan 0.000 0.431 85 E N -0.088 120.053 120.200 -0.098 0.000 2.038 85 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 85 E C -0.572 175.974 176.600 -0.090 0.000 1.000 85 E CA 2.137 58.488 56.400 -0.081 0.000 0.803 85 E CB -1.312 28.373 29.700 -0.024 0.000 0.750 85 E HN 0.404 nan 8.360 nan 0.000 0.448 86 P HA -0.106 nan 4.420 nan 0.000 0.218 86 P C 1.096 178.327 177.300 -0.115 0.000 1.148 86 P CA 1.593 64.646 63.100 -0.079 0.000 0.822 86 P CB -0.134 31.531 31.700 -0.058 0.000 0.784 87 T N 0.254 114.739 114.554 -0.114 0.000 2.812 87 T HA -0.018 4.331 4.350 -0.001 0.000 0.264 87 T C 1.945 176.504 174.700 -0.234 0.000 1.042 87 T CA 0.871 62.893 62.100 -0.129 0.000 1.140 87 T CB -0.789 68.050 68.868 -0.049 0.000 0.870 87 T HN 0.046 nan 8.240 nan 0.000 0.445 88 L N 0.503 121.579 121.223 -0.244 0.000 2.042 88 L HA -0.108 4.232 4.340 -0.001 0.000 0.210 88 L C 2.873 179.560 176.870 -0.306 0.000 1.076 88 L CA 1.465 56.095 54.840 -0.350 0.000 0.749 88 L CB -0.434 41.262 42.059 -0.605 0.000 0.893 88 L HN 0.153 nan 8.230 nan 0.000 0.432 89 R N -0.633 119.742 120.500 -0.208 0.000 2.096 89 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 89 R C 2.403 178.576 176.300 -0.211 0.000 1.127 89 R CA 1.218 57.236 56.100 -0.136 0.000 0.968 89 R CB -0.338 29.920 30.300 -0.070 0.000 0.861 89 R HN 0.278 nan 8.270 nan 0.000 0.440 90 R N 0.804 121.129 120.500 -0.292 0.000 2.073 90 R HA -0.140 4.199 4.340 -0.001 0.000 0.234 90 R C 2.217 178.120 176.300 -0.662 0.000 1.134 90 R CA 1.607 57.461 56.100 -0.409 0.000 0.952 90 R CB -0.281 29.780 30.300 -0.398 0.000 0.850 90 R HN 0.230 nan 8.270 nan 0.000 0.433 91 A N 1.161 123.453 122.820 -0.881 0.000 1.865 91 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 91 A C 1.947 179.326 177.584 -0.342 0.000 1.191 91 A CA 1.898 53.416 52.037 -0.865 0.000 0.623 91 A CB -0.626 18.066 19.000 -0.513 0.000 0.826 91 A HN 0.550 nan 8.150 nan 0.000 0.444 92 E N -0.349 119.706 120.200 -0.243 0.000 2.085 92 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 92 E C 2.264 178.801 176.600 -0.105 0.000 0.994 92 E CA 0.966 57.289 56.400 -0.127 0.000 0.801 92 E CB -0.333 29.323 29.700 -0.073 0.000 0.743 92 E HN 0.632 nan 8.360 nan 0.000 0.453 93 A N 0.548 123.285 122.820 -0.138 0.000 1.972 93 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 93 A C 2.121 179.666 177.584 -0.065 0.000 1.169 93 A CA 1.022 52.998 52.037 -0.102 0.000 0.635 93 A CB -0.449 18.474 19.000 -0.127 0.000 0.810 93 A HN 0.358 nan 8.150 nan 0.000 0.446 94 C N -0.992 118.269 119.300 -0.066 0.000 2.673 94 C HA 0.470 4.930 4.460 -0.001 0.000 0.274 94 C C 1.820 176.861 174.990 0.084 0.000 1.276 94 C CA 0.069 59.120 59.018 0.055 0.000 1.701 94 C CB -1.257 26.599 27.740 0.194 0.000 1.836 94 C HN 1.067 nan 8.230 nan 0.000 0.596 95 G N 0.998 109.815 108.800 0.028 0.000 2.147 95 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.244 95 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.244 95 G C 0.078 175.006 174.900 0.047 0.000 1.005 95 G CA 0.215 45.335 45.100 0.032 0.000 0.713 95 G HN 0.911 nan 8.290 nan 0.000 0.515 96 A N -0.238 122.609 122.820 0.045 0.000 2.363 96 A HA 0.719 5.039 4.320 -0.001 0.000 0.270 96 A C 1.521 179.078 177.584 -0.046 0.000 1.121 96 A CA 0.971 53.062 52.037 0.091 0.000 0.800 96 A CB 0.944 20.042 19.000 0.164 0.000 1.052 96 A HN 1.463 nan 8.150 nan 0.000 0.493 97 G N 1.185 109.916 108.800 -0.114 0.000 2.939 97 G HA2 0.285 4.244 3.960 -0.001 0.000 0.210 97 G HA3 0.285 4.244 3.960 -0.001 0.000 0.210 97 G C 0.101 174.404 174.900 -0.994 0.000 1.160 97 G CA -0.083 44.595 45.100 -0.704 0.000 0.770 97 G HN 0.635 nan 8.290 nan 0.000 0.543 98 W N -0.900 120.387 121.300 -0.021 0.000 3.372 98 W HA 0.515 5.175 4.660 -0.000 0.000 0.315 98 W C -1.703 174.825 176.519 0.015 0.000 1.223 98 W CA -1.240 56.086 57.345 -0.032 0.000 1.202 98 W CB 1.601 30.994 29.460 -0.110 0.000 1.367 98 W HN -0.155 nan 8.180 nan 0.000 0.531 99 L N 3.122 124.476 121.223 0.218 0.000 2.333 99 L HA 0.544 4.884 4.340 -0.001 0.000 0.280 99 L C -0.508 176.463 176.870 0.168 0.000 1.004 99 L CA -0.505 54.450 54.840 0.191 0.000 0.820 99 L CB 1.422 43.523 42.059 0.070 0.000 1.247 99 L HN 0.365 nan 8.230 nan 0.000 0.416 100 K N 5.173 125.669 120.400 0.160 0.000 2.274 100 K HA 0.757 5.076 4.320 -0.001 0.000 0.262 100 K C -1.100 175.525 176.600 0.041 0.000 0.961 100 K CA -0.675 55.667 56.287 0.092 0.000 0.833 100 K CB 1.413 33.958 32.500 0.075 0.000 1.102 100 K HN 0.610 nan 8.250 nan 0.000 0.436 101 V N -0.496 119.418 119.914 0.000 0.000 3.156 101 V HA 0.627 4.746 4.120 -0.001 0.000 0.311 101 V C -0.457 175.582 176.094 -0.092 0.000 1.208 101 V CA -0.896 61.374 62.300 -0.050 0.000 1.063 101 V CB 1.704 33.482 31.823 -0.076 0.000 1.098 101 V HN 0.693 nan 8.190 nan 0.000 0.452 102 S N 0.014 115.641 115.700 -0.121 0.000 2.687 102 S HA 0.548 5.017 4.470 -0.001 0.000 0.283 102 S C 0.566 175.056 174.600 -0.183 0.000 1.170 102 S CA -0.225 57.888 58.200 -0.145 0.000 1.008 102 S CB 1.456 64.575 63.200 -0.134 0.000 1.026 102 S HN 0.909 nan 8.310 nan 0.000 0.541 103 L N 2.343 123.450 121.223 -0.193 0.000 2.072 103 L HA 0.232 4.571 4.340 -0.001 0.000 0.205 103 L C 1.209 178.023 176.870 -0.093 0.000 1.079 103 L CA 2.290 56.988 54.840 -0.235 0.000 0.752 103 L CB -1.294 40.617 42.059 -0.246 0.000 0.906 103 L HN 1.039 nan 8.230 nan 0.000 0.436 104 G N -0.740 108.020 108.800 -0.067 0.000 2.593 104 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.237 104 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.237 104 G C -0.782 174.132 174.900 0.025 0.000 1.312 104 G CA -0.110 44.987 45.100 -0.006 0.000 0.896 104 G HN 0.389 nan 8.290 nan 0.000 0.574 105 L N 0.149 121.405 121.223 0.055 0.000 2.261 105 L HA 0.712 5.051 4.340 -0.001 0.000 0.289 105 L C 0.302 177.168 176.870 -0.008 0.000 1.059 105 L CA -0.690 54.160 54.840 0.017 0.000 0.816 105 L CB 0.875 42.941 42.059 0.011 0.000 1.191 105 L HN 0.822 nan 8.230 nan 0.000 0.431 106 L N 9.271 130.430 121.223 -0.107 0.000 2.418 106 L HA 0.451 4.791 4.340 -0.001 0.000 0.274 106 L C -1.956 174.745 176.870 -0.282 0.000 1.135 106 L CA -0.785 53.861 54.840 -0.322 0.000 0.870 106 L CB 0.033 41.927 42.059 -0.276 0.000 1.154 106 L HN 0.542 nan 8.230 nan 0.000 0.462 107 P HA 0.163 nan 4.420 nan 0.000 0.279 107 P C -0.100 177.064 177.300 -0.227 0.000 1.282 107 P CA -0.318 62.638 63.100 -0.240 0.000 0.788 107 P CB 0.664 32.230 31.700 -0.225 0.000 1.139 108 E N -0.307 119.805 120.200 -0.146 0.000 2.072 108 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 108 E C 0.390 176.914 176.600 -0.127 0.000 0.985 108 E CA 1.350 57.681 56.400 -0.114 0.000 0.801 108 E CB 0.059 29.716 29.700 -0.072 0.000 0.750 108 E HN 0.559 nan 8.360 nan 0.000 0.452 109 Q N 1.279 120.998 119.800 -0.136 0.000 2.907 109 Q HA 0.250 4.590 4.340 -0.001 0.000 0.262 109 Q C -2.388 173.513 176.000 -0.165 0.000 0.997 109 Q CA -1.472 54.258 55.803 -0.121 0.000 0.797 109 Q CB 1.526 30.224 28.738 -0.067 0.000 1.228 109 Q HN 0.068 nan 8.270 nan 0.000 0.466 110 P HA 0.007 nan 4.420 nan 0.000 0.271 110 P C -0.464 176.779 177.300 -0.094 0.000 1.218 110 P CA -0.157 62.684 63.100 -0.432 0.000 0.780 110 P CB 0.909 32.004 31.700 -1.008 0.000 0.901 111 D N 2.190 122.660 120.400 0.116 0.000 2.563 111 D HA 0.101 4.741 4.640 -0.001 0.000 0.222 111 D C 1.115 177.571 176.300 0.260 0.000 1.145 111 D CA -0.125 53.975 54.000 0.166 0.000 1.001 111 D CB -0.357 40.535 40.800 0.154 0.000 1.049 111 D HN 0.224 nan 8.370 nan 0.000 0.515 112 L N 1.664 123.005 121.223 0.197 0.000 2.217 112 L HA -0.065 4.275 4.340 -0.001 0.000 0.211 112 L C 2.414 179.360 176.870 0.127 0.000 1.107 112 L CA 0.794 55.758 54.840 0.206 0.000 0.783 112 L CB -0.175 41.954 42.059 0.118 0.000 0.919 112 L HN 0.321 nan 8.230 nan 0.000 0.442 113 A N 0.323 123.197 122.820 0.089 0.000 1.902 113 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 113 A C 2.556 180.179 177.584 0.066 0.000 1.181 113 A CA 1.777 53.852 52.037 0.063 0.000 0.623 113 A CB -0.640 18.387 19.000 0.046 0.000 0.818 113 A HN 0.384 nan 8.150 nan 0.000 0.443 114 A N -0.551 122.317 122.820 0.080 0.000 1.902 114 A HA -0.015 4.305 4.320 -0.001 0.000 0.217 114 A C 2.125 179.746 177.584 0.061 0.000 1.181 114 A CA 1.714 53.791 52.037 0.067 0.000 0.623 114 A CB -0.633 18.413 19.000 0.076 0.000 0.818 114 A HN 0.707 nan 8.150 nan 0.000 0.443 115 L N 0.293 121.568 121.223 0.086 0.000 2.012 115 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 115 L C 2.379 179.282 176.870 0.054 0.000 1.073 115 L CA 2.490 57.363 54.840 0.055 0.000 0.748 115 L CB -1.200 40.916 42.059 0.095 0.000 0.891 115 L HN 0.297 nan 8.230 nan 0.000 0.431 116 G N -0.896 107.944 108.800 0.065 0.000 2.418 116 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 116 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 116 G C 1.753 176.680 174.900 0.044 0.000 1.158 116 G CA 0.770 45.902 45.100 0.054 0.000 0.771 116 G HN 0.414 nan 8.290 nan 0.000 0.545 117 R N -0.282 120.242 120.500 0.039 0.000 2.096 117 R HA 0.019 4.359 4.340 -0.001 0.000 0.235 117 R C 2.631 178.950 176.300 0.031 0.000 1.127 117 R CA 1.093 57.210 56.100 0.028 0.000 0.968 117 R CB -0.252 30.062 30.300 0.022 0.000 0.861 117 R HN 0.299 nan 8.270 nan 0.000 0.440 118 R N 1.032 121.558 120.500 0.043 0.000 2.075 118 R HA -0.073 4.267 4.340 -0.001 0.000 0.232 118 R C 2.120 178.499 176.300 0.131 0.000 1.126 118 R CA 1.189 57.329 56.100 0.066 0.000 0.963 118 R CB -0.151 30.174 30.300 0.042 0.000 0.858 118 R HN 0.172 nan 8.270 nan 0.000 0.435 119 L N 0.162 121.443 121.223 0.097 0.000 2.156 119 L HA -0.017 4.323 4.340 -0.001 0.000 0.208 119 L C 2.513 179.450 176.870 0.112 0.000 1.095 119 L CA 0.885 55.796 54.840 0.119 0.000 0.770 119 L CB -0.406 41.692 42.059 0.064 0.000 0.914 119 L HN 0.308 nan 8.230 nan 0.000 0.439 120 A N 0.019 122.874 122.820 0.058 0.000 2.125 120 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 120 A C 2.233 179.802 177.584 -0.025 0.000 1.156 120 A CA 1.006 53.054 52.037 0.019 0.000 0.671 120 A CB -0.421 18.584 19.000 0.010 0.000 0.794 120 A HN 0.349 nan 8.150 nan 0.000 0.459 121 R N -1.021 119.442 120.500 -0.061 0.000 2.307 121 R HA 0.052 4.392 4.340 -0.001 0.000 0.199 121 R C -0.461 175.586 176.300 -0.421 0.000 1.000 121 R CA 0.379 56.338 56.100 -0.235 0.000 1.023 121 R CB -0.084 30.037 30.300 -0.299 0.000 0.908 121 R HN 0.658 nan 8.270 nan 0.000 0.473 122 H N -2.271 116.768 119.070 -0.052 0.000 2.572 122 H HA 0.239 4.794 4.556 -0.001 0.000 0.359 122 H C 0.957 176.236 175.328 -0.081 0.000 1.134 122 H CA -0.350 55.656 56.048 -0.069 0.000 1.187 122 H CB 1.992 31.710 29.762 -0.074 0.000 1.597 122 H HN 0.011 nan 8.280 nan 0.000 0.524 123 G N 1.995 110.801 108.800 0.009 0.000 2.464 123 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.217 123 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.217 123 G C 0.389 175.215 174.900 -0.124 0.000 1.138 123 G CA 0.337 45.400 45.100 -0.062 0.000 0.793 123 G HN 0.464 nan 8.290 nan 0.000 0.539 124 L N -1.524 119.625 121.223 -0.122 0.000 2.472 124 L HA 0.559 4.898 4.340 -0.001 0.000 0.260 124 L C -0.062 176.691 176.870 -0.194 0.000 1.209 124 L CA -0.999 53.691 54.840 -0.249 0.000 0.817 124 L CB 0.400 42.334 42.059 -0.209 0.000 1.106 124 L HN 0.075 nan 8.230 nan 0.000 0.479 125 Q N 0.808 120.448 119.800 -0.267 0.000 2.274 125 Q HA 0.482 4.822 4.340 -0.001 0.000 0.260 125 Q C -1.172 174.875 176.000 0.079 0.000 0.974 125 Q CA -1.037 54.739 55.803 -0.044 0.000 0.876 125 Q CB 1.790 30.557 28.738 0.047 0.000 1.297 125 Q HN 0.775 nan 8.270 nan 0.000 0.446 126 L N 4.590 125.870 121.223 0.096 0.000 2.367 126 L HA 0.325 4.665 4.340 -0.001 0.000 0.275 126 L C -1.345 175.648 176.870 0.205 0.000 1.129 126 L CA 0.427 55.341 54.840 0.122 0.000 0.839 126 L CB 0.496 42.605 42.059 0.085 0.000 1.133 126 L HN 0.598 nan 8.230 nan 0.000 0.453 127 L N 5.705 127.049 121.223 0.201 0.000 2.346 127 L HA 0.589 4.929 4.340 -0.001 0.000 0.276 127 L C -0.818 176.161 176.870 0.183 0.000 1.006 127 L CA -0.962 54.010 54.840 0.219 0.000 0.817 127 L CB 1.961 44.127 42.059 0.178 0.000 1.272 127 L HN 0.247 nan 8.230 nan 0.000 0.421 128 V N 2.147 122.226 119.914 0.275 0.000 2.384 128 V HA 0.304 4.424 4.120 -0.001 0.000 0.287 128 V C -0.084 176.113 176.094 0.171 0.000 1.020 128 V CA -0.565 61.843 62.300 0.180 0.000 0.850 128 V CB 1.702 33.609 31.823 0.140 0.000 0.987 128 V HN 0.741 nan 8.190 nan 0.000 0.436 129 E N 4.617 124.812 120.200 -0.007 0.000 2.231 129 E HA 0.282 4.632 4.350 -0.001 0.000 0.277 129 E C -0.198 176.290 176.600 -0.186 0.000 0.999 129 E CA -0.824 55.503 56.400 -0.123 0.000 0.827 129 E CB 0.989 30.547 29.700 -0.237 0.000 1.101 129 E HN 0.830 nan 8.360 nan 0.000 0.393 130 N N 3.758 122.263 118.700 -0.325 0.000 2.452 130 N HA -0.039 4.701 4.740 -0.001 0.000 0.266 130 N C -0.555 174.650 175.510 -0.508 0.000 1.209 130 N CA -0.084 52.656 53.050 -0.518 0.000 0.929 130 N CB 0.824 38.585 38.487 -1.211 0.000 1.063 130 N HN 0.460 nan 8.380 nan 0.000 0.472 131 D N 1.492 121.674 120.400 -0.362 0.000 2.530 131 D HA 0.073 4.713 4.640 -0.001 0.000 0.282 131 D C 0.366 176.484 176.300 -0.304 0.000 1.204 131 D CA -0.283 53.524 54.000 -0.321 0.000 1.093 131 D CB 0.291 40.949 40.800 -0.237 0.000 1.154 131 D HN 0.533 nan 8.370 nan 0.000 0.593 132 Q N -1.104 118.531 119.800 -0.276 0.000 2.247 132 Q HA 0.163 4.502 4.340 -0.001 0.000 0.204 132 Q C 0.006 175.961 176.000 -0.075 0.000 0.872 132 Q CA -0.058 55.618 55.803 -0.212 0.000 0.951 132 Q CB 0.410 28.844 28.738 -0.506 0.000 1.099 132 Q HN 0.648 nan 8.270 nan 0.000 0.501 133 T N -3.132 111.371 114.554 -0.086 0.000 2.902 133 T HA 0.258 4.608 4.350 -0.001 0.000 0.280 133 T C -2.176 172.522 174.700 -0.002 0.000 0.992 133 T CA -2.073 60.004 62.100 -0.037 0.000 1.015 133 T CB 1.497 70.332 68.868 -0.056 0.000 1.044 133 T HN -0.246 nan 8.240 nan 0.000 0.520 134 P HA -0.130 nan 4.420 nan 0.000 0.217 134 P C 1.897 179.209 177.300 0.020 0.000 1.150 134 P CA 0.920 64.039 63.100 0.031 0.000 0.832 134 P CB 0.021 31.739 31.700 0.029 0.000 0.787 135 Q N -0.467 119.333 119.800 -0.001 0.000 2.172 135 Q HA 0.001 4.341 4.340 -0.001 0.000 0.200 135 Q C 1.659 177.646 176.000 -0.021 0.000 0.964 135 Q CA 2.304 58.101 55.803 -0.009 0.000 0.855 135 Q CB -1.261 27.467 28.738 -0.015 0.000 0.918 135 Q HN 0.237 nan 8.270 nan 0.000 0.444 136 G N -0.394 108.382 108.800 -0.040 0.000 3.274 136 G HA2 0.345 4.304 3.960 -0.001 0.000 0.250 136 G HA3 0.345 4.304 3.960 -0.001 0.000 0.250 136 G C 0.781 175.627 174.900 -0.090 0.000 1.024 136 G CA 0.237 45.294 45.100 -0.073 0.000 0.840 136 G HN 0.480 nan 8.290 nan 0.000 0.522 137 G N 0.080 108.850 108.800 -0.050 0.000 3.695 137 G HA2 0.309 4.269 3.960 -0.001 0.000 0.277 137 G HA3 0.309 4.269 3.960 -0.001 0.000 0.277 137 G C 0.391 175.362 174.900 0.119 0.000 1.001 137 G CA -0.486 44.559 45.100 -0.093 0.000 0.837 137 G HN 0.209 nan 8.290 nan 0.000 0.492 138 R N 0.000 120.617 120.500 0.195 0.000 2.589 138 R HA 0.499 4.839 4.340 -0.001 0.000 0.293 138 R C 0.816 177.325 176.300 0.347 0.000 0.963 138 R CA -0.773 55.496 56.100 0.282 0.000 0.905 138 R CB 2.017 32.413 30.300 0.159 0.000 1.144 138 R HN 0.012 nan 8.270 nan 0.000 0.459 139 I N 1.377 122.141 120.570 0.324 0.000 2.163 139 I HA -0.321 3.848 4.170 -0.001 0.000 0.243 139 I C 2.467 178.704 176.117 0.200 0.000 1.085 139 I CA 1.526 62.966 61.300 0.233 0.000 1.347 139 I CB -0.158 37.857 38.000 0.024 0.000 1.044 139 I HN 0.754 nan 8.210 nan 0.000 0.408 140 E N 0.694 120.980 120.200 0.144 0.000 2.058 140 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 140 E C 2.338 179.009 176.600 0.119 0.000 0.997 140 E CA 1.735 58.204 56.400 0.115 0.000 0.801 140 E CB 0.001 29.750 29.700 0.081 0.000 0.746 140 E HN 0.294 nan 8.360 nan 0.000 0.450 141 V N 0.608 120.589 119.914 0.112 0.000 2.515 141 V HA -0.181 3.939 4.120 -0.001 0.000 0.250 141 V C 2.182 178.351 176.094 0.126 0.000 1.058 141 V CA 1.340 63.691 62.300 0.084 0.000 1.064 141 V CB -0.177 31.673 31.823 0.046 0.000 0.675 141 V HN 0.304 nan 8.190 nan 0.000 0.461 142 L N -0.036 121.308 121.223 0.200 0.000 2.093 142 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 142 L C 2.580 179.675 176.870 0.376 0.000 1.085 142 L CA 2.097 57.117 54.840 0.299 0.000 0.755 142 L CB -0.567 41.758 42.059 0.443 0.000 0.904 142 L HN 0.446 nan 8.230 nan 0.000 0.435 143 E N 0.517 120.903 120.200 0.309 0.000 2.110 143 E HA -0.292 4.058 4.350 -0.001 0.000 0.193 143 E C 2.336 179.027 176.600 0.151 0.000 0.988 143 E CA 1.186 57.744 56.400 0.264 0.000 0.804 143 E CB 0.073 29.906 29.700 0.222 0.000 0.745 143 E HN 0.300 nan 8.360 nan 0.000 0.458 144 R N -0.435 120.134 120.500 0.115 0.000 2.081 144 R HA -0.170 4.170 4.340 -0.001 0.000 0.235 144 R C 2.287 178.595 176.300 0.012 0.000 1.131 144 R CA 1.545 57.676 56.100 0.052 0.000 0.960 144 R CB -0.478 29.844 30.300 0.036 0.000 0.856 144 R HN 0.238 nan 8.270 nan 0.000 0.436 145 F N 0.498 120.357 119.950 -0.152 0.000 2.069 145 F HA -0.171 4.356 4.527 -0.001 0.000 0.298 145 F C 1.501 177.092 175.800 -0.348 0.000 1.113 145 F CA 1.552 59.382 58.000 -0.284 0.000 1.214 145 F CB -0.496 38.261 39.000 -0.407 0.000 0.978 145 F HN -0.032 nan 8.300 nan 0.000 0.474 146 F N 0.617 120.328 119.950 -0.398 0.000 2.259 146 F HA -0.013 4.514 4.527 -0.001 0.000 0.298 146 F C 2.518 177.921 175.800 -0.662 0.000 1.088 146 F CA 1.230 58.741 58.000 -0.816 0.000 1.358 146 F CB -0.782 37.468 39.000 -1.249 0.000 1.040 146 F HN -0.141 nan 8.300 nan 0.000 0.505 147 R N 0.037 120.408 120.500 -0.214 0.000 2.081 147 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 147 R C 2.176 178.435 176.300 -0.068 0.000 1.131 147 R CA 1.255 57.338 56.100 -0.029 0.000 0.960 147 R CB -0.644 29.687 30.300 0.052 0.000 0.856 147 R HN 0.317 nan 8.270 nan 0.000 0.436 148 L N -0.035 121.103 121.223 -0.143 0.000 2.056 148 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 148 L C 2.678 179.450 176.870 -0.164 0.000 1.078 148 L CA 1.137 55.898 54.840 -0.132 0.000 0.749 148 L CB -0.552 41.426 42.059 -0.136 0.000 0.901 148 L HN 0.240 nan 8.230 nan 0.000 0.433 149 A N -0.185 122.439 122.820 -0.326 0.000 1.902 149 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 149 A C 2.264 179.790 177.584 -0.097 0.000 1.181 149 A CA 1.942 53.805 52.037 -0.289 0.000 0.623 149 A CB -0.541 18.122 19.000 -0.562 0.000 0.818 149 A HN 0.478 nan 8.150 nan 0.000 0.443 150 E N -0.401 119.774 120.200 -0.042 0.000 2.077 150 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 150 E C 2.268 178.894 176.600 0.044 0.000 0.989 150 E CA 1.062 57.503 56.400 0.069 0.000 0.800 150 E CB -0.114 29.700 29.700 0.190 0.000 0.746 150 E HN 0.578 nan 8.360 nan 0.000 0.452 151 R N -0.076 120.435 120.500 0.019 0.000 2.096 151 R HA -0.153 4.186 4.340 -0.001 0.000 0.235 151 R C 2.277 178.584 176.300 0.011 0.000 1.127 151 R CA 1.487 57.597 56.100 0.016 0.000 0.968 151 R CB -0.117 30.186 30.300 0.006 0.000 0.861 151 R HN 0.107 nan 8.270 nan 0.000 0.440 152 Q N 0.658 120.457 119.800 -0.001 0.000 2.444 152 Q HA -0.057 4.282 4.340 -0.001 0.000 0.206 152 Q C -0.331 175.680 176.000 0.018 0.000 0.948 152 Q CA 0.643 56.451 55.803 0.008 0.000 0.946 152 Q CB 0.236 28.977 28.738 0.005 0.000 1.027 152 Q HN 0.179 nan 8.270 nan 0.000 0.513 153 Q N -0.148 119.666 119.800 0.024 0.000 2.478 153 Q HA -0.187 4.153 4.340 -0.001 0.000 0.286 153 Q C -1.024 174.999 176.000 0.039 0.000 1.299 153 Q CA 0.304 56.129 55.803 0.036 0.000 0.826 153 Q CB -2.180 26.578 28.738 0.032 0.000 1.199 153 Q HN 0.371 nan 8.270 nan 0.000 0.451 154 L N 0.440 121.684 121.223 0.036 0.000 2.349 154 L HA 0.253 4.592 4.340 -0.001 0.000 0.275 154 L C 0.756 177.667 176.870 0.069 0.000 1.115 154 L CA -0.359 54.509 54.840 0.046 0.000 0.820 154 L CB 0.517 42.596 42.059 0.034 0.000 1.135 154 L HN 0.030 nan 8.230 nan 0.000 0.445 155 D N 4.087 124.531 120.400 0.074 0.000 2.631 155 D HA 0.389 5.028 4.640 -0.001 0.000 0.227 155 D C -0.787 175.583 176.300 0.118 0.000 1.146 155 D CA -0.366 53.689 54.000 0.092 0.000 1.009 155 D CB -0.086 40.758 40.800 0.073 0.000 1.057 155 D HN 0.270 nan 8.370 nan 0.000 0.509 156 L N -0.163 121.151 121.223 0.152 0.000 2.279 156 L HA 1.067 5.407 4.340 -0.001 0.000 0.262 156 L C -0.462 176.572 176.870 0.273 0.000 1.019 156 L CA -1.365 53.600 54.840 0.210 0.000 0.823 156 L CB 1.402 43.596 42.059 0.225 0.000 1.358 156 L HN 0.029 nan 8.230 nan 0.000 0.432 160 F N 4.287 124.067 119.950 -0.282 0.000 2.375 160 F HA 0.388 4.914 4.527 -0.001 0.000 0.362 160 F C 0.312 175.998 175.800 -0.189 0.000 1.129 160 F CA -0.543 57.335 58.000 -0.204 0.000 1.154 160 F CB 0.385 39.135 39.000 -0.417 0.000 1.205 160 F HN 0.432 nan 8.300 nan 0.000 0.513 161 D N 6.887 127.028 120.400 -0.432 0.000 2.347 161 D HA 0.112 4.752 4.640 -0.001 0.000 0.235 161 D C 1.386 177.494 176.300 -0.321 0.000 1.149 161 D CA 0.010 53.813 54.000 -0.327 0.000 0.850 161 D CB 0.840 41.407 40.800 -0.388 0.000 1.061 161 D HN 0.654 nan 8.370 nan 0.000 0.487 162 I N 2.887 123.458 120.570 0.001 0.000 2.286 162 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 162 I C 2.289 178.569 176.117 0.272 0.000 1.115 162 I CA 1.257 62.703 61.300 0.244 0.000 1.392 162 I CB 0.095 38.130 38.000 0.057 0.000 1.065 162 I HN 0.489 nan 8.210 nan 0.000 0.418 163 G N -0.049 108.838 108.800 0.145 0.000 2.492 163 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.214 163 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.214 163 G C 1.367 176.451 174.900 0.307 0.000 1.147 163 G CA 0.090 45.350 45.100 0.268 0.000 0.809 163 G HN 0.238 nan 8.290 nan 0.000 0.533 164 N N 0.697 119.402 118.700 0.008 0.000 2.223 164 N HA -0.111 4.629 4.740 -0.001 0.000 0.185 164 N C 1.746 177.297 175.510 0.069 0.000 1.016 164 N CA 0.764 53.782 53.050 -0.053 0.000 0.863 164 N CB -0.386 37.841 38.487 -0.433 0.000 0.983 164 N HN 0.631 nan 8.380 nan 0.000 0.429 165 W N 1.689 123.048 121.300 0.097 0.000 2.331 165 W HA -0.085 4.574 4.660 -0.001 0.000 0.291 165 W C 2.163 178.757 176.519 0.125 0.000 1.214 165 W CA 0.101 57.490 57.345 0.073 0.000 1.228 165 W CB -0.108 29.363 29.460 0.017 0.000 1.135 165 W HN -0.005 nan 8.180 nan 0.000 0.537 166 R N -0.271 120.440 120.500 0.353 0.000 2.105 166 R HA -0.185 4.154 4.340 -0.001 0.000 0.239 166 R C 1.889 178.215 176.300 0.044 0.000 1.135 166 R CA 1.359 57.529 56.100 0.116 0.000 0.967 166 R CB -1.329 28.921 30.300 -0.083 0.000 0.861 166 R HN 0.401 nan 8.270 nan 0.000 0.442 167 W N 0.820 122.147 121.300 0.046 0.000 2.425 167 W HA -0.093 4.566 4.660 -0.001 0.000 0.277 167 W C 1.131 177.669 176.519 0.032 0.000 1.231 167 W CA 0.535 57.892 57.345 0.020 0.000 1.248 167 W CB 0.068 29.518 29.460 -0.016 0.000 1.117 167 W HN 0.150 nan 8.180 nan 0.000 0.568 168 Q N -0.015 119.941 119.800 0.261 0.000 2.204 168 Q HA 0.026 4.366 4.340 -0.001 0.000 0.209 168 Q C 0.010 176.101 176.000 0.152 0.000 0.861 168 Q CA 0.301 56.217 55.803 0.188 0.000 0.971 168 Q CB -0.010 28.845 28.738 0.194 0.000 1.095 168 Q HN 0.363 nan 8.270 nan 0.000 0.486 169 E N 1.167 121.441 120.200 0.124 0.000 2.269 169 E HA -0.198 4.151 4.350 -0.001 0.000 0.223 169 E C -0.496 176.166 176.600 0.105 0.000 1.244 169 E CA 0.440 56.891 56.400 0.085 0.000 0.713 169 E CB -0.642 29.086 29.700 0.046 0.000 1.178 169 E HN 0.312 nan 8.360 nan 0.000 0.370 170 Q N -0.552 119.349 119.800 0.167 0.000 2.309 170 Q HA 0.602 4.942 4.340 -0.001 0.000 0.264 170 Q C -0.136 175.916 176.000 0.085 0.000 1.008 170 Q CA -0.333 55.553 55.803 0.138 0.000 0.853 170 Q CB 1.966 30.869 28.738 0.274 0.000 1.314 170 Q HN 0.303 nan 8.270 nan 0.000 0.448 171 A N 1.433 124.243 122.820 -0.016 0.000 2.404 171 A HA 0.459 4.778 4.320 -0.001 0.000 0.273 171 A C 1.102 178.589 177.584 -0.162 0.000 1.144 171 A CA 0.387 52.406 52.037 -0.031 0.000 0.806 171 A CB 0.339 19.324 19.000 -0.025 0.000 1.080 171 A HN 0.876 nan 8.150 nan 0.000 0.509 172 A N 2.478 125.268 122.820 -0.050 0.000 1.940 172 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 172 A C 1.574 179.163 177.584 0.009 0.000 1.176 172 A CA 2.182 54.182 52.037 -0.061 0.000 0.631 172 A CB -0.493 18.720 19.000 0.356 0.000 0.814 172 A HN 0.767 nan 8.150 nan 0.000 0.446 173 D N -0.715 119.709 120.400 0.039 0.000 2.117 173 D HA -0.147 4.492 4.640 -0.001 0.000 0.197 173 D C 1.927 178.132 176.300 -0.157 0.000 0.987 173 D CA 1.464 55.418 54.000 -0.077 0.000 0.829 173 D CB -0.297 40.517 40.800 0.023 0.000 0.961 173 D HN 0.715 nan 8.370 nan 0.000 0.460 174 E N 0.248 120.379 120.200 -0.115 0.000 2.077 174 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 174 E C 1.982 178.491 176.600 -0.152 0.000 0.989 174 E CA 1.037 57.369 56.400 -0.113 0.000 0.800 174 E CB -0.032 29.613 29.700 -0.092 0.000 0.746 174 E HN 0.186 nan 8.360 nan 0.000 0.452 175 A N 1.224 123.867 122.820 -0.294 0.000 1.908 175 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 175 A C 2.382 180.025 177.584 0.100 0.000 1.181 175 A CA 1.989 53.820 52.037 -0.343 0.000 0.627 175 A CB -0.762 17.411 19.000 -1.379 0.000 0.818 175 A HN 0.425 nan 8.150 nan 0.000 0.445 176 A N -0.582 122.260 122.820 0.037 0.000 1.930 176 A HA 0.061 4.381 4.320 -0.001 0.000 0.217 176 A C 2.163 179.675 177.584 -0.119 0.000 1.175 176 A CA 1.327 53.287 52.037 -0.129 0.000 0.627 176 A CB -0.511 18.063 19.000 -0.710 0.000 0.815 176 A HN 0.460 nan 8.150 nan 0.000 0.443 177 L N -1.129 119.996 121.223 -0.162 0.000 2.017 177 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 177 L C 2.848 179.754 176.870 0.059 0.000 1.073 177 L CA 1.564 56.414 54.840 0.016 0.000 0.745 177 L CB -0.345 41.718 42.059 0.005 0.000 0.894 177 L HN 0.318 nan 8.230 nan 0.000 0.432 178 R N -0.621 119.916 120.500 0.062 0.000 2.161 178 R HA 0.049 4.389 4.340 -0.001 0.000 0.213 178 R C 1.766 178.183 176.300 0.194 0.000 1.055 178 R CA 0.779 56.945 56.100 0.109 0.000 0.996 178 R CB 0.095 30.454 30.300 0.098 0.000 0.901 178 R HN 0.315 nan 8.270 nan 0.000 0.456 179 L N -1.190 120.171 121.223 0.229 0.000 2.731 179 L HA 0.265 4.604 4.340 -0.001 0.000 0.240 179 L C 2.030 179.027 176.870 0.213 0.000 1.120 179 L CA -0.082 54.969 54.840 0.352 0.000 0.913 179 L CB 0.424 42.737 42.059 0.423 0.000 1.213 179 L HN 0.226 nan 8.230 nan 0.000 0.515 180 G N 1.746 110.650 108.800 0.173 0.000 2.469 180 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.220 180 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.220 180 G C 1.642 176.577 174.900 0.059 0.000 1.136 180 G CA 1.005 46.260 45.100 0.259 0.000 0.759 180 G HN 0.512 nan 8.290 nan 0.000 0.562 181 R N -0.846 119.540 120.500 -0.190 0.000 2.241 181 R HA -0.036 4.303 4.340 -0.001 0.000 0.224 181 R C 1.530 177.600 176.300 -0.383 0.000 1.101 181 R CA 1.306 57.207 56.100 -0.333 0.000 0.995 181 R CB -0.522 29.485 30.300 -0.489 0.000 0.870 181 R HN 0.442 nan 8.270 nan 0.000 0.463 182 Y N 0.473 120.718 120.300 -0.091 0.000 2.462 182 Y HA 0.270 4.819 4.550 -0.001 0.000 0.261 182 Y C 0.593 176.346 175.900 -0.245 0.000 1.146 182 Y CA -0.647 57.321 58.100 -0.221 0.000 1.283 182 Y CB 0.513 38.648 38.460 -0.541 0.000 1.090 182 Y HN -0.186 nan 8.280 nan 0.000 0.526 183 V N 0.754 120.601 119.914 -0.110 0.000 2.488 183 V HA 0.317 4.436 4.120 -0.001 0.000 0.277 183 V C 1.129 177.162 176.094 -0.102 0.000 1.046 183 V CA 0.565 62.740 62.300 -0.209 0.000 0.986 183 V CB 0.950 32.398 31.823 -0.625 0.000 0.989 183 V HN 0.478 nan 8.190 nan 0.000 0.475 184 G N 3.679 112.456 108.800 -0.038 0.000 3.228 184 G HA2 0.209 4.169 3.960 -0.001 0.000 0.245 184 G HA3 0.209 4.169 3.960 -0.001 0.000 0.245 184 G C -0.377 174.548 174.900 0.041 0.000 1.051 184 G CA 0.160 45.272 45.100 0.020 0.000 0.809 184 G HN 0.540 nan 8.290 nan 0.000 0.531 185 Y N -0.086 120.109 120.300 -0.175 0.000 2.474 185 Y HA 0.503 5.053 4.550 -0.000 0.000 0.326 185 Y C -1.754 174.055 175.900 -0.153 0.000 1.160 185 Y CA -1.524 56.466 58.100 -0.183 0.000 1.056 185 Y CB 1.544 39.868 38.460 -0.227 0.000 1.330 185 Y HN -0.076 nan 8.280 nan 0.000 0.447 186 V N 5.781 125.491 119.914 -0.340 0.000 2.448 186 V HA 0.379 4.498 4.120 -0.001 0.000 0.295 186 V C -0.618 175.255 176.094 -0.369 0.000 1.025 186 V CA -0.673 61.457 62.300 -0.282 0.000 0.859 186 V CB 1.639 33.390 31.823 -0.121 0.000 0.988 186 V HN 0.815 nan 8.190 nan 0.000 0.431 187 H N 2.873 121.685 119.070 -0.430 0.000 2.594 187 H HA 0.319 4.875 4.556 -0.000 0.000 0.304 187 H C -0.782 174.348 175.328 -0.330 0.000 1.068 187 H CA -0.648 55.156 56.048 -0.406 0.000 1.308 187 H CB 1.104 30.658 29.762 -0.348 0.000 1.409 187 H HN 0.642 nan 8.280 nan 0.000 0.460 188 C N 5.212 124.320 119.300 -0.319 0.000 2.307 188 C HA 0.379 4.838 4.460 -0.001 0.000 0.340 188 C C 0.029 174.927 174.990 -0.154 0.000 1.275 188 C CA -0.594 58.097 59.018 -0.546 0.000 1.811 188 C CB -0.621 26.744 27.740 -0.625 0.000 2.372 188 C HN 0.822 nan 8.230 nan 0.000 0.531 189 K N 1.768 122.115 120.400 -0.090 0.000 2.562 189 K HA 0.760 5.080 4.320 -0.001 0.000 0.267 189 K C -1.286 175.609 176.600 0.492 0.000 0.938 189 K CA -0.427 56.057 56.287 0.327 0.000 0.840 189 K CB 1.360 34.000 32.500 0.233 0.000 1.390 189 K HN 0.582 nan 8.250 nan 0.000 0.428 190 A N 1.788 124.905 122.820 0.494 0.000 2.293 190 A HA 0.657 4.977 4.320 -0.001 0.000 0.302 190 A C -0.691 177.035 177.584 0.236 0.000 1.119 190 A CA -0.696 51.570 52.037 0.381 0.000 0.823 190 A CB 1.089 20.194 19.000 0.176 0.000 1.097 190 A HN 0.414 nan 8.150 nan 0.000 0.491 191 V N 2.636 122.661 119.914 0.185 0.000 2.638 191 V HA 0.530 4.650 4.120 -0.001 0.000 0.306 191 V C -0.265 175.837 176.094 0.014 0.000 1.052 191 V CA -0.252 62.106 62.300 0.097 0.000 0.885 191 V CB 1.265 33.127 31.823 0.065 0.000 0.999 191 V HN 0.883 nan 8.190 nan 0.000 0.424 192 I N 1.232 121.790 120.570 -0.019 0.000 2.892 192 I HA 0.710 4.879 4.170 -0.001 0.000 0.306 192 I C -0.234 175.833 176.117 -0.085 0.000 1.078 192 I CA -1.139 60.133 61.300 -0.046 0.000 1.032 192 I CB 2.094 40.079 38.000 -0.026 0.000 1.229 192 I HN 0.403 nan 8.210 nan 0.000 0.435 193 R N 3.264 123.712 120.500 -0.087 0.000 2.298 193 R HA 0.215 4.554 4.340 -0.001 0.000 0.310 193 R C -0.218 176.052 176.300 -0.050 0.000 1.068 193 R CA -0.496 55.553 56.100 -0.085 0.000 0.957 193 R CB 0.589 30.841 30.300 -0.080 0.000 1.003 193 R HN 0.792 nan 8.270 nan 0.000 0.454 194 N N 2.336 121.014 118.700 -0.037 0.000 2.285 194 N HA -0.023 4.717 4.740 -0.001 0.000 0.262 194 N C 0.576 176.075 175.510 -0.019 0.000 1.299 194 N CA -0.015 53.024 53.050 -0.019 0.000 0.930 194 N CB 0.471 38.956 38.487 -0.004 0.000 1.157 194 N HN 0.377 nan 8.380 nan 0.000 0.532 195 R N -1.328 119.165 120.500 -0.012 0.000 2.152 195 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 195 R C 0.208 176.501 176.300 -0.011 0.000 1.117 195 R CA 1.331 57.424 56.100 -0.012 0.000 0.981 195 R CB -0.280 30.016 30.300 -0.007 0.000 0.870 195 R HN 0.603 nan 8.270 nan 0.000 0.451 196 D N -0.641 119.754 120.400 -0.009 0.000 2.355 196 D HA 0.035 4.675 4.640 -0.001 0.000 0.218 196 D C 1.151 177.443 176.300 -0.013 0.000 1.004 196 D CA 0.990 54.986 54.000 -0.007 0.000 0.880 196 D CB 0.455 41.254 40.800 -0.001 0.000 0.911 196 D HN 0.449 nan 8.370 nan 0.000 0.528 197 G N 1.431 110.218 108.800 -0.022 0.000 2.141 197 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.242 197 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.242 197 G C 0.358 175.230 174.900 -0.047 0.000 0.982 197 G CA 0.186 45.264 45.100 -0.035 0.000 0.662 197 G HN 0.411 nan 8.290 nan 0.000 0.527 198 K N 0.628 121.006 120.400 -0.036 0.000 2.172 198 K HA 0.641 4.960 4.320 -0.001 0.000 0.276 198 K C 0.804 177.358 176.600 -0.077 0.000 1.013 198 K CA -0.938 55.327 56.287 -0.037 0.000 0.913 198 K CB 0.381 32.886 32.500 0.008 0.000 1.055 198 K HN 0.164 nan 8.250 nan 0.000 0.461 199 L N 4.188 125.310 121.223 -0.168 0.000 2.455 199 L HA 0.206 4.546 4.340 -0.001 0.000 0.272 199 L C -0.128 176.700 176.870 -0.070 0.000 1.174 199 L CA -0.296 54.350 54.840 -0.324 0.000 0.869 199 L CB 1.013 42.488 42.059 -0.974 0.000 1.130 199 L HN 0.411 nan 8.230 nan 0.000 0.474 200 V N 3.466 123.371 119.914 -0.015 0.000 2.760 200 V HA 0.739 4.858 4.120 -0.001 0.000 0.309 200 V C -0.292 175.908 176.094 0.178 0.000 1.077 200 V CA -0.512 61.877 62.300 0.148 0.000 0.910 200 V CB 2.063 33.940 31.823 0.090 0.000 1.008 200 V HN 0.827 nan 8.190 nan 0.000 0.424 201 A N 5.767 128.748 122.820 0.269 0.000 2.363 201 A HA 0.790 5.109 4.320 -0.001 0.000 0.270 201 A C -0.263 177.412 177.584 0.152 0.000 1.121 201 A CA 0.282 52.461 52.037 0.236 0.000 0.800 201 A CB 0.782 19.927 19.000 0.242 0.000 1.052 201 A HN 1.994 nan 8.150 nan 0.000 0.493 202 V N -0.378 119.614 119.914 0.130 0.000 3.114 202 V HA 0.773 4.893 4.120 -0.001 0.000 0.308 202 V C -3.164 172.913 176.094 -0.029 0.000 1.168 202 V CA -2.682 59.657 62.300 0.065 0.000 1.015 202 V CB 1.655 33.496 31.823 0.030 0.000 1.050 202 V HN 0.633 nan 8.190 nan 0.000 0.433 203 P HA 0.325 nan 4.420 nan 0.000 0.270 203 P C -2.722 174.367 177.300 -0.352 0.000 1.223 203 P CA -0.913 61.892 63.100 -0.493 0.000 0.785 203 P CB -0.285 31.308 31.700 -0.178 0.000 0.923 204 P HA 0.068 nan 4.420 nan 0.000 0.278 204 P C -0.268 176.854 177.300 -0.296 0.000 1.238 204 P CA -0.098 62.754 63.100 -0.413 0.000 0.794 204 P CB 0.563 31.817 31.700 -0.744 0.000 0.955 205 S N 1.348 116.890 115.700 -0.263 0.000 2.624 205 S HA 0.371 4.840 4.470 -0.001 0.000 0.263 205 S C 1.597 176.058 174.600 -0.232 0.000 1.287 205 S CA -0.024 58.057 58.200 -0.198 0.000 0.990 205 S CB 0.387 63.496 63.200 -0.150 0.000 0.950 205 S HN 0.511 nan 8.310 nan 0.000 0.561 206 A N 1.201 123.924 122.820 -0.163 0.000 1.978 206 A HA 0.091 4.411 4.320 -0.001 0.000 0.220 206 A C 2.362 179.853 177.584 -0.154 0.000 1.170 206 A CA 1.923 53.872 52.037 -0.147 0.000 0.636 206 A CB -1.687 17.256 19.000 -0.095 0.000 0.810 206 A HN 1.334 nan 8.150 nan 0.000 0.448 207 A N -0.051 122.683 122.820 -0.143 0.000 1.898 207 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 207 A C 1.779 179.264 177.584 -0.166 0.000 1.181 207 A CA 1.693 53.658 52.037 -0.120 0.000 0.620 207 A CB -0.505 18.434 19.000 -0.102 0.000 0.819 207 A HN 0.477 nan 8.150 nan 0.000 0.442 208 D N 0.276 120.504 120.400 -0.288 0.000 2.104 208 D HA -0.149 4.490 4.640 -0.001 0.000 0.194 208 D C 1.969 177.775 176.300 -0.825 0.000 0.994 208 D CA 1.203 54.892 54.000 -0.517 0.000 0.830 208 D CB -0.395 39.991 40.800 -0.690 0.000 0.959 208 D HN 0.446 nan 8.370 nan 0.000 0.452 209 L N 0.484 121.300 121.223 -0.677 0.000 2.046 209 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 209 L C 2.706 179.495 176.870 -0.135 0.000 1.077 209 L CA 1.128 55.705 54.840 -0.439 0.000 0.747 209 L CB -0.392 41.526 42.059 -0.236 0.000 0.896 209 L HN 0.058 nan 8.230 nan 0.000 0.432 210 Q N -0.783 118.960 119.800 -0.096 0.000 2.084 210 Q HA -0.283 4.057 4.340 -0.001 0.000 0.202 210 Q C 2.260 178.306 176.000 0.076 0.000 0.978 210 Q CA 1.906 57.709 55.803 -0.000 0.000 0.844 210 Q CB -0.242 28.493 28.738 -0.005 0.000 0.898 210 Q HN 0.480 nan 8.270 nan 0.000 0.426 211 Y N -0.458 119.811 120.300 -0.052 0.000 2.181 211 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 211 Y C 1.432 177.454 175.900 0.203 0.000 1.146 211 Y CA 1.552 59.679 58.100 0.045 0.000 1.164 211 Y CB -0.444 38.033 38.460 0.028 0.000 0.982 211 Y HN 0.261 nan 8.280 nan 0.000 0.515 212 W N 0.965 122.205 121.300 -0.100 0.000 2.363 212 W HA -0.177 4.483 4.660 0.000 0.000 0.296 212 W C 2.615 179.047 176.519 -0.145 0.000 1.212 212 W CA 1.338 58.588 57.345 -0.159 0.000 1.260 212 W CB -1.389 28.078 29.460 0.012 0.000 1.131 212 W HN 0.270 nan 8.180 nan 0.000 0.530 213 Q N 0.668 120.552 119.800 0.140 0.000 2.096 213 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 213 Q C 2.445 178.423 176.000 -0.036 0.000 0.982 213 Q CA 2.218 58.053 55.803 0.053 0.000 0.850 213 Q CB -0.225 28.544 28.738 0.051 0.000 0.901 213 Q HN 0.211 nan 8.270 nan 0.000 0.422 214 R N -0.129 120.339 120.500 -0.053 0.000 2.075 214 R HA -0.093 4.247 4.340 -0.001 0.000 0.232 214 R C 2.298 178.513 176.300 -0.142 0.000 1.126 214 R CA 1.144 57.195 56.100 -0.081 0.000 0.963 214 R CB -0.215 30.080 30.300 -0.008 0.000 0.858 214 R HN 0.324 nan 8.270 nan 0.000 0.435 215 L N 0.667 121.717 121.223 -0.289 0.000 2.042 215 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 215 L C 2.368 178.846 176.870 -0.652 0.000 1.076 215 L CA 1.273 55.852 54.840 -0.434 0.000 0.749 215 L CB -0.415 41.377 42.059 -0.445 0.000 0.893 215 L HN 0.307 nan 8.230 nan 0.000 0.432 216 L N -0.677 120.288 121.223 -0.431 0.000 2.191 216 L HA -0.233 4.107 4.340 -0.001 0.000 0.212 216 L C 2.570 179.186 176.870 -0.423 0.000 1.103 216 L CA 0.972 55.568 54.840 -0.406 0.000 0.769 216 L CB -0.486 41.500 42.059 -0.122 0.000 0.908 216 L HN 0.385 nan 8.230 nan 0.000 0.438 217 Q N -0.827 118.763 119.800 -0.349 0.000 2.368 217 Q HA -0.219 4.120 4.340 -0.001 0.000 0.210 217 Q C 1.489 177.187 176.000 -0.504 0.000 0.982 217 Q CA 1.215 56.801 55.803 -0.362 0.000 0.884 217 Q CB -0.146 28.385 28.738 -0.345 0.000 0.933 217 Q HN 0.646 nan 8.270 nan 0.000 0.460 218 H N -1.613 117.061 119.070 -0.660 0.000 2.563 218 H HA 0.094 4.649 4.556 -0.001 0.000 0.264 218 H C -0.440 174.665 175.328 -0.372 0.000 0.957 218 H CA 0.132 55.837 56.048 -0.572 0.000 1.173 218 H CB 0.404 29.724 29.762 -0.736 0.000 1.420 218 H HN 0.012 nan 8.280 nan 0.000 0.551 219 F N 0.042 119.924 119.950 -0.113 0.000 2.523 219 F HA 0.430 4.956 4.527 -0.001 0.000 0.329 219 F C -2.094 173.637 175.800 -0.115 0.000 1.061 219 F CA -4.352 53.568 58.000 -0.133 0.000 0.967 219 F CB 0.047 38.949 39.000 -0.163 0.000 1.218 219 F HN -0.250 nan 8.300 nan 0.000 0.480 220 P HA -0.009 nan 4.420 nan 0.000 0.264 220 P C -0.375 176.929 177.300 0.007 0.000 1.183 220 P CA -0.041 63.077 63.100 0.031 0.000 0.763 220 P CB 0.357 32.076 31.700 0.031 0.000 0.807 221 E N 2.358 122.541 120.200 -0.029 0.000 2.502 221 E HA 0.149 4.498 4.350 -0.001 0.000 0.261 221 E C 1.161 177.717 176.600 -0.074 0.000 0.974 221 E CA 0.954 57.311 56.400 -0.072 0.000 0.936 221 E CB -0.438 29.244 29.700 -0.031 0.000 0.926 221 E HN 0.746 nan 8.360 nan 0.000 0.459 222 G N 2.703 111.357 108.800 -0.243 0.000 2.179 222 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.260 222 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.260 222 G C 0.314 175.195 174.900 -0.032 0.000 0.977 222 G CA 0.062 45.089 45.100 -0.122 0.000 0.641 222 G HN 0.679 nan 8.290 nan 0.000 0.533 223 V N 1.396 121.287 119.914 -0.038 0.000 2.720 223 V HA 0.419 4.538 4.120 -0.001 0.000 0.307 223 V C 1.293 177.408 176.094 0.036 0.000 1.071 223 V CA 0.674 62.985 62.300 0.018 0.000 1.199 223 V CB 0.600 32.446 31.823 0.039 0.000 0.900 223 V HN 1.732 nan 8.190 nan 0.000 0.494 224 A N 8.285 131.143 122.820 0.062 0.000 2.511 224 A HA 0.512 4.832 4.320 -0.001 0.000 0.242 224 A C 0.361 178.017 177.584 0.119 0.000 1.069 224 A CA -0.145 51.954 52.037 0.104 0.000 0.763 224 A CB 0.013 19.051 19.000 0.063 0.000 1.001 224 A HN 0.971 nan 8.150 nan 0.000 0.498 225 R N 1.611 122.150 120.500 0.065 0.000 2.670 225 R HA 0.786 5.126 4.340 -0.001 0.000 0.289 225 R C -1.007 175.255 176.300 -0.064 0.000 0.965 225 R CA -0.063 56.012 56.100 -0.043 0.000 0.899 225 R CB 1.226 31.525 30.300 -0.001 0.000 1.173 225 R HN 0.875 nan 8.270 nan 0.000 0.456 226 A N 4.174 126.861 122.820 -0.221 0.000 2.342 226 A HA 0.561 4.880 4.320 -0.001 0.000 0.323 226 A C -0.135 177.267 177.584 -0.304 0.000 1.125 226 A CA -1.022 50.863 52.037 -0.253 0.000 0.785 226 A CB 0.806 19.552 19.000 -0.424 0.000 1.221 226 A HN 0.765 nan 8.150 nan 0.000 0.463 227 I N 1.832 122.220 120.570 -0.304 0.000 2.505 227 I HA 0.105 4.275 4.170 -0.001 0.000 0.287 227 I C 0.738 176.490 176.117 -0.608 0.000 1.104 227 I CA 0.620 61.613 61.300 -0.512 0.000 1.387 227 I CB 0.661 38.279 38.000 -0.638 0.000 1.404 227 I HN 0.768 nan 8.210 nan 0.000 0.528 228 E N 8.143 128.015 120.200 -0.547 0.000 4.052 228 E HA 0.194 4.543 4.350 -0.001 0.000 0.219 228 E C -1.628 174.847 176.600 -0.208 0.000 1.166 228 E CA -0.388 55.733 56.400 -0.464 0.000 1.338 228 E CB 0.481 29.839 29.700 -0.570 0.000 1.212 228 E HN 0.570 nan 8.360 nan 0.000 0.432 229 Y N -2.839 117.354 120.300 -0.179 0.000 2.625 229 Y HA 0.650 5.200 4.550 -0.001 0.000 0.338 229 Y C -3.008 172.798 175.900 -0.156 0.000 1.123 229 Y CA -3.505 54.536 58.100 -0.099 0.000 1.046 229 Y CB -0.014 38.452 38.460 0.010 0.000 1.299 229 Y HN -0.073 nan 8.280 nan 0.000 0.464 230 P HA 0.157 nan 4.420 nan 0.000 0.262 230 P C -0.925 176.366 177.300 -0.015 0.000 1.199 230 P CA 0.590 63.706 63.100 0.025 0.000 0.763 230 P CB 0.344 32.081 31.700 0.062 0.000 0.790 231 L N 4.913 126.027 121.223 -0.181 0.000 2.301 231 L HA 0.354 4.694 4.340 -0.001 0.000 0.278 231 L C 0.307 177.176 176.870 -0.001 0.000 1.022 231 L CA -0.133 54.595 54.840 -0.187 0.000 0.854 231 L CB 0.656 42.455 42.059 -0.433 0.000 1.226 231 L HN 0.296 nan 8.230 nan 0.000 0.429 232 Q N 2.336 122.161 119.800 0.042 0.000 2.347 232 Q HA 0.854 5.194 4.340 -0.001 0.000 0.271 232 Q C -0.326 175.728 176.000 0.089 0.000 1.064 232 Q CA -0.855 54.997 55.803 0.082 0.000 0.800 232 Q CB 3.316 32.091 28.738 0.062 0.000 1.304 232 Q HN 0.687 nan 8.270 nan 0.000 0.438 233 G N 0.737 109.593 108.800 0.094 0.000 2.325 233 G HA2 0.053 4.012 3.960 -0.001 0.000 0.297 233 G HA3 0.053 4.012 3.960 -0.001 0.000 0.297 233 G C -0.796 174.147 174.900 0.073 0.000 1.448 233 G CA -0.660 44.491 45.100 0.084 0.000 0.838 233 G HN 0.534 nan 8.290 nan 0.000 0.579 234 D N -0.627 119.808 120.400 0.057 0.000 2.277 234 D HA 0.008 4.648 4.640 -0.001 0.000 0.208 234 D C 0.023 176.346 176.300 0.040 0.000 0.962 234 D CA 1.158 55.183 54.000 0.042 0.000 0.865 234 D CB 0.663 41.483 40.800 0.034 0.000 0.939 234 D HN 0.318 nan 8.370 nan 0.000 0.510 235 D N 0.373 120.805 120.400 0.053 0.000 2.412 235 D HA 0.139 4.779 4.640 -0.001 0.000 0.276 235 D C 1.255 177.600 176.300 0.074 0.000 1.196 235 D CA -0.299 53.731 54.000 0.050 0.000 0.905 235 D CB 0.428 41.256 40.800 0.046 0.000 1.081 235 D HN -0.104 nan 8.370 nan 0.000 0.502 236 L N 1.922 123.188 121.223 0.071 0.000 2.131 236 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 236 L C 2.059 178.999 176.870 0.116 0.000 1.092 236 L CA 0.585 55.495 54.840 0.118 0.000 0.759 236 L CB -0.253 41.849 42.059 0.071 0.000 0.903 236 L HN 0.387 nan 8.230 nan 0.000 0.435 237 L N 0.053 121.314 121.223 0.063 0.000 2.005 237 L HA -0.193 4.147 4.340 -0.001 0.000 0.207 237 L C 2.818 179.740 176.870 0.086 0.000 1.072 237 L CA 2.329 57.207 54.840 0.064 0.000 0.744 237 L CB -0.647 41.430 42.059 0.030 0.000 0.895 237 L HN 0.328 nan 8.230 nan 0.000 0.433 238 S N -0.836 114.911 115.700 0.079 0.000 2.383 238 S HA -0.183 4.286 4.470 -0.001 0.000 0.227 238 S C 2.050 176.723 174.600 0.121 0.000 1.026 238 S CA 1.148 59.399 58.200 0.084 0.000 0.981 238 S CB -1.153 62.086 63.200 0.065 0.000 0.818 238 S HN 0.403 nan 8.310 nan 0.000 0.472 239 L N 2.210 123.522 121.223 0.149 0.000 2.012 239 L HA -0.040 4.300 4.340 -0.001 0.000 0.210 239 L C 2.449 179.494 176.870 0.291 0.000 1.073 239 L CA 2.147 57.122 54.840 0.225 0.000 0.748 239 L CB -1.091 41.087 42.059 0.200 0.000 0.891 239 L HN 0.304 nan 8.230 nan 0.000 0.431 240 S N -0.531 115.304 115.700 0.225 0.000 2.368 240 S HA -0.219 4.251 4.470 -0.001 0.000 0.225 240 S C 2.054 176.771 174.600 0.196 0.000 1.030 240 S CA 1.483 59.813 58.200 0.217 0.000 0.999 240 S CB -0.455 62.890 63.200 0.242 0.000 0.844 240 S HN 0.482 nan 8.310 nan 0.000 0.459 241 R N 1.314 121.906 120.500 0.154 0.000 2.081 241 R HA -0.057 4.282 4.340 -0.001 0.000 0.235 241 R C 2.496 178.863 176.300 0.112 0.000 1.131 241 R CA 1.458 57.628 56.100 0.117 0.000 0.960 241 R CB -0.187 30.165 30.300 0.087 0.000 0.856 241 R HN 0.279 nan 8.270 nan 0.000 0.436 242 R N -0.659 119.910 120.500 0.114 0.000 2.073 242 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 242 R C 2.193 178.512 176.300 0.030 0.000 1.134 242 R CA 1.767 57.896 56.100 0.049 0.000 0.952 242 R CB -0.319 29.988 30.300 0.012 0.000 0.850 242 R HN 0.465 nan 8.270 nan 0.000 0.433 243 H N 0.086 119.222 119.070 0.110 0.000 2.353 243 H HA -0.105 4.451 4.556 -0.001 0.000 0.300 243 H C 2.258 177.667 175.328 0.135 0.000 1.090 243 H CA 1.839 57.977 56.048 0.151 0.000 1.327 243 H CB -0.042 29.828 29.762 0.180 0.000 1.383 243 H HN 0.265 nan 8.280 nan 0.000 0.508 244 I N 0.672 121.370 120.570 0.213 0.000 2.226 244 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 244 I C 2.845 179.036 176.117 0.123 0.000 1.100 244 I CA 0.913 62.301 61.300 0.147 0.000 1.374 244 I CB -0.242 37.828 38.000 0.117 0.000 1.057 244 I HN 0.157 nan 8.210 nan 0.000 0.413 245 A N 0.640 123.520 122.820 0.100 0.000 1.933 245 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 245 A C 2.515 180.142 177.584 0.072 0.000 1.175 245 A CA 1.882 53.961 52.037 0.071 0.000 0.628 245 A CB -0.795 18.234 19.000 0.048 0.000 0.814 245 A HN 0.434 nan 8.150 nan 0.000 0.444 246 A N -0.546 122.319 122.820 0.074 0.000 1.930 246 A HA 0.069 4.389 4.320 -0.001 0.000 0.217 246 A C 2.134 179.796 177.584 0.130 0.000 1.175 246 A CA 1.301 53.380 52.037 0.069 0.000 0.627 246 A CB -0.435 18.583 19.000 0.029 0.000 0.815 246 A HN 0.456 nan 8.150 nan 0.000 0.443 247 L N -1.059 120.271 121.223 0.179 0.000 2.131 247 L HA -0.095 4.245 4.340 -0.001 0.000 0.206 247 L C 3.010 179.990 176.870 0.182 0.000 1.087 247 L CA 0.966 55.936 54.840 0.216 0.000 0.767 247 L CB -0.547 41.651 42.059 0.230 0.000 0.917 247 L HN 0.442 nan 8.230 nan 0.000 0.441 248 A N 1.137 124.045 122.820 0.146 0.000 2.015 248 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 248 A C 2.096 179.752 177.584 0.120 0.000 1.163 248 A CA 1.536 53.652 52.037 0.132 0.000 0.646 248 A CB -0.333 18.719 19.000 0.087 0.000 0.806 248 A HN 0.500 nan 8.150 nan 0.000 0.448 249 R N -1.365 119.199 120.500 0.106 0.000 2.334 249 R HA 0.304 4.643 4.340 -0.001 0.000 0.216 249 R C -0.283 176.093 176.300 0.128 0.000 0.905 249 R CA -0.315 55.832 56.100 0.078 0.000 1.064 249 R CB -1.125 29.201 30.300 0.043 0.000 1.046 249 R HN 0.169 nan 8.270 nan 0.000 0.508 250 L N 1.628 122.956 121.223 0.176 0.000 2.500 250 L HA 0.492 4.832 4.340 -0.001 0.000 0.272 250 L C 0.767 177.765 176.870 0.215 0.000 1.149 250 L CA 1.035 55.978 54.840 0.173 0.000 0.897 250 L CB 0.426 42.596 42.059 0.184 0.000 1.178 250 L HN 0.629 nan 8.230 nan 0.000 0.473 251 G N 3.250 112.141 108.800 0.152 0.000 2.323 251 G HA2 0.181 4.141 3.960 -0.001 0.000 0.291 251 G HA3 0.181 4.141 3.960 -0.001 0.000 0.291 251 G C -1.448 173.507 174.900 0.092 0.000 1.278 251 G CA -0.816 44.364 45.100 0.134 0.000 0.860 251 G HN 0.245 nan 8.290 nan 0.000 0.504 252 Q N 0.896 120.742 119.800 0.077 0.000 2.354 252 Q HA 0.424 4.764 4.340 -0.001 0.000 0.244 252 Q C -1.383 174.647 176.000 0.051 0.000 0.969 252 Q CA -1.012 54.817 55.803 0.043 0.000 0.885 252 Q CB 0.409 29.158 28.738 0.019 0.000 1.241 252 Q HN 0.568 nan 8.270 nan 0.000 0.461 253 P HA 0.000 nan 4.420 nan 0.000 0.216 253 P CA 0.000 63.111 63.100 0.019 0.000 0.800 253 P CB 0.000 31.706 31.700 0.010 0.000 0.726