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 3msl_1_A DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGAX XXXXXXXXXA SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VEDVATSQDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.845 175.800 0.076 0.000 0.967 -1 F CA 0.000 58.052 58.000 0.086 0.000 1.383 -1 F CB 0.000 39.062 39.000 0.104 0.000 1.145 0 V N 1.856 121.901 119.914 0.217 0.000 2.594 0 V HA -0.249 3.874 4.120 0.005 0.000 0.253 0 V C 2.355 178.527 176.094 0.131 0.000 1.069 0 V CA 2.357 64.741 62.300 0.140 0.000 1.082 0 V CB -0.678 31.196 31.823 0.084 0.000 0.680 0 V HN 0.473 nan 8.190 nan 0.000 0.469 1 E N 0.115 120.404 120.200 0.148 0.000 2.358 1 E HA -0.138 4.215 4.350 0.005 0.000 0.195 1 E C 1.902 178.620 176.600 0.197 0.000 1.010 1 E CA 1.089 57.586 56.400 0.162 0.000 0.856 1 E CB -0.133 29.652 29.700 0.141 0.000 0.795 1 E HN 0.578 nan 8.360 nan 0.000 0.504 2 M N 1.026 120.740 119.600 0.191 0.000 2.510 2 M HA 0.122 4.605 4.480 0.005 0.000 0.256 2 M C 0.402 176.771 176.300 0.114 0.000 1.132 2 M CA -0.045 55.357 55.300 0.171 0.000 1.105 2 M CB 0.973 33.683 32.600 0.183 0.000 1.375 2 M HN -0.171 nan 8.290 nan 0.000 0.477 3 V N 2.245 122.222 119.914 0.105 0.000 2.585 3 V HA -0.075 4.048 4.120 0.005 0.000 0.296 3 V C 0.451 176.557 176.094 0.021 0.000 1.035 3 V CA 0.718 63.055 62.300 0.062 0.000 1.084 3 V CB 0.582 32.442 31.823 0.062 0.000 0.953 3 V HN 0.576 nan 8.190 nan 0.000 0.483 4 D N 3.057 123.459 120.400 0.003 0.000 2.907 4 D HA -0.178 4.465 4.640 0.005 0.000 0.226 4 D C 0.946 177.200 176.300 -0.075 0.000 1.141 4 D CA 1.049 55.032 54.000 -0.029 0.000 0.779 4 D CB -0.796 39.984 40.800 -0.033 0.000 1.095 4 D HN 0.852 nan 8.370 nan 0.000 0.430 5 N N -0.040 118.629 118.700 -0.052 0.000 2.336 5 N HA 0.031 4.774 4.740 0.005 0.000 0.189 5 N C 0.379 175.856 175.510 -0.054 0.000 1.113 5 N CA 0.198 53.202 53.050 -0.076 0.000 0.858 5 N CB 0.019 38.523 38.487 0.028 0.000 0.970 5 N HN 0.405 nan 8.380 nan 0.000 0.471 6 L N 0.610 121.803 121.223 -0.051 0.000 2.317 6 L HA 0.547 4.890 4.340 0.005 0.000 0.281 6 L C 0.325 177.116 176.870 -0.132 0.000 1.024 6 L CA -0.773 54.028 54.840 -0.064 0.000 0.810 6 L CB 1.440 43.509 42.059 0.017 0.000 1.240 6 L HN -0.069 nan 8.230 nan 0.000 0.427 7 R N 1.294 121.553 120.500 -0.402 0.000 2.869 7 R HA 0.893 5.236 4.340 0.005 0.000 0.263 7 R C -0.525 175.259 176.300 -0.860 0.000 1.066 7 R CA -0.866 54.907 56.100 -0.546 0.000 0.960 7 R CB 2.210 32.197 30.300 -0.522 0.000 1.221 7 R HN 0.824 nan 8.270 nan 0.000 0.474 8 G N 0.388 108.883 108.800 -0.508 0.000 2.313 8 G HA2 0.232 4.195 3.960 0.005 0.000 0.296 8 G HA3 0.232 4.195 3.960 0.005 0.000 0.296 8 G C -1.646 173.187 174.900 -0.112 0.000 1.356 8 G CA -0.700 44.247 45.100 -0.256 0.000 0.833 8 G HN 0.152 nan 8.290 nan 0.000 0.552 9 K N 0.088 120.472 120.400 -0.027 0.000 2.166 9 K HA 0.642 4.964 4.320 0.005 0.000 0.245 9 K C 0.093 176.642 176.600 -0.085 0.000 0.967 9 K CA -0.698 55.567 56.287 -0.037 0.000 0.863 9 K CB 1.847 34.355 32.500 0.014 0.000 1.107 9 K HN 0.479 nan 8.250 nan 0.000 0.436 10 S N 0.219 115.879 115.700 -0.066 0.000 2.509 10 S HA 0.240 4.713 4.470 0.005 0.000 0.287 10 S C 1.063 175.644 174.600 -0.032 0.000 1.248 10 S CA 1.273 59.438 58.200 -0.058 0.000 1.089 10 S CB -0.807 62.375 63.200 -0.030 0.000 0.900 10 S HN 0.796 nan 8.310 nan 0.000 0.496 11 G N 4.261 113.041 108.800 -0.033 0.000 2.176 11 G HA2 -0.240 3.723 3.960 0.005 0.000 0.253 11 G HA3 -0.240 3.723 3.960 0.005 0.000 0.253 11 G C 0.483 175.397 174.900 0.024 0.000 0.979 11 G CA 0.583 45.683 45.100 0.001 0.000 0.641 11 G HN 0.692 nan 8.290 nan 0.000 0.530 12 Q N -0.218 119.599 119.800 0.029 0.000 2.247 12 Q HA 0.464 4.807 4.340 0.005 0.000 0.211 12 Q C 1.234 177.359 176.000 0.208 0.000 0.861 12 Q CA 0.458 56.344 55.803 0.138 0.000 0.949 12 Q CB 1.137 29.958 28.738 0.139 0.000 1.115 12 Q HN 1.647 nan 8.270 nan 0.000 0.507 13 G N 0.563 109.373 108.800 0.017 0.000 2.655 13 G HA2 -0.232 3.731 3.960 0.005 0.000 0.680 13 G HA3 -0.232 3.731 3.960 0.005 0.000 0.680 13 G C -1.442 173.348 174.900 -0.184 0.000 1.302 13 G CA -0.992 44.084 45.100 -0.040 0.000 0.872 13 G HN 0.151 nan 8.290 nan 0.000 0.540 14 Y N 0.431 120.689 120.300 -0.069 0.000 2.335 14 Y HA 0.637 5.190 4.550 0.005 0.000 0.338 14 Y C 0.543 176.380 175.900 -0.106 0.000 0.977 14 Y CA -0.431 57.599 58.100 -0.117 0.000 1.114 14 Y CB 1.680 40.073 38.460 -0.110 0.000 1.182 14 Y HN 0.772 nan 8.280 nan 0.000 0.463 15 Y N 0.911 121.244 120.300 0.055 0.000 2.509 15 Y HA 0.822 5.375 4.550 0.004 0.000 0.341 15 Y C -1.350 174.570 175.900 0.035 0.000 1.038 15 Y CA -1.796 56.310 58.100 0.010 0.000 1.089 15 Y CB 0.933 39.433 38.460 0.066 0.000 1.241 15 Y HN 0.390 nan 8.280 nan 0.000 0.468 16 V N 2.328 122.362 119.914 0.201 0.000 2.715 16 V HA 0.362 4.485 4.120 0.005 0.000 0.310 16 V C -0.597 175.609 176.094 0.187 0.000 1.054 16 V CA -0.911 61.470 62.300 0.134 0.000 0.928 16 V CB 1.716 33.559 31.823 0.033 0.000 1.007 16 V HN 0.991 nan 8.190 nan 0.000 0.437 17 E N 5.264 125.573 120.200 0.183 0.000 2.316 17 E HA 0.437 4.789 4.350 0.005 0.000 0.275 17 E C -0.874 175.782 176.600 0.093 0.000 1.029 17 E CA -0.150 56.347 56.400 0.162 0.000 0.871 17 E CB 0.749 30.570 29.700 0.202 0.000 1.022 17 E HN 0.658 nan 8.360 nan 0.000 0.418 18 M N 2.315 121.953 119.600 0.064 0.000 2.550 18 M HA 0.294 4.777 4.480 0.005 0.000 0.292 18 M C -0.796 175.529 176.300 0.042 0.000 1.221 18 M CA -0.942 54.371 55.300 0.021 0.000 0.873 18 M CB 2.502 35.085 32.600 -0.028 0.000 1.727 18 M HN 0.486 nan 8.290 nan 0.000 0.459 19 T N -0.279 114.296 114.554 0.035 0.000 2.807 19 T HA 0.810 5.163 4.350 0.005 0.000 0.279 19 T C -0.763 173.976 174.700 0.065 0.000 0.993 19 T CA -0.747 61.382 62.100 0.049 0.000 0.970 19 T CB 1.322 70.213 68.868 0.039 0.000 0.950 19 T HN 0.421 nan 8.240 nan 0.000 0.441 20 V N 2.104 122.065 119.914 0.077 0.000 2.656 20 V HA 0.910 5.033 4.120 0.005 0.000 0.307 20 V C 0.858 177.045 176.094 0.155 0.000 1.051 20 V CA 0.175 62.526 62.300 0.085 0.000 0.893 20 V CB 0.827 32.607 31.823 -0.071 0.000 0.999 20 V HN 1.633 nan 8.190 nan 0.000 0.426 21 G N 3.792 112.697 108.800 0.176 0.000 2.757 21 G HA2 -0.007 3.956 3.960 0.005 0.000 0.638 21 G HA3 -0.007 3.956 3.960 0.005 0.000 0.638 21 G C -0.467 174.513 174.900 0.134 0.000 1.344 21 G CA -0.301 44.923 45.100 0.207 0.000 0.855 21 G HN 1.010 nan 8.290 nan 0.000 0.537 22 S N 2.505 118.277 115.700 0.120 0.000 2.707 22 S HA 0.699 5.172 4.470 0.005 0.000 0.312 22 S C -2.170 172.468 174.600 0.064 0.000 1.116 22 S CA -0.617 57.631 58.200 0.081 0.000 1.078 22 S CB 2.566 65.810 63.200 0.073 0.000 0.997 22 S HN 0.784 nan 8.310 nan 0.000 0.477 23 P HA 0.298 nan 4.420 nan 0.000 0.274 23 P C -2.843 174.488 177.300 0.052 0.000 1.246 23 P CA -1.718 61.407 63.100 0.042 0.000 0.795 23 P CB -0.642 31.074 31.700 0.026 0.000 1.006 24 P HA 0.066 nan 4.420 nan 0.000 0.263 24 P C -0.599 176.731 177.300 0.050 0.000 1.195 24 P CA 0.542 63.674 63.100 0.054 0.000 0.762 24 P CB 0.366 32.089 31.700 0.038 0.000 0.799 25 Q N 1.525 121.367 119.800 0.071 0.000 2.347 25 Q HA 0.280 4.623 4.340 0.005 0.000 0.262 25 Q C -0.186 175.846 176.000 0.054 0.000 0.980 25 Q CA -0.425 55.414 55.803 0.061 0.000 0.867 25 Q CB 1.127 29.927 28.738 0.103 0.000 1.242 25 Q HN 0.361 nan 8.270 nan 0.000 0.453 26 T N 4.033 118.606 114.554 0.032 0.000 2.794 26 T HA 0.425 4.778 4.350 0.005 0.000 0.296 26 T C -0.207 174.510 174.700 0.028 0.000 0.949 26 T CA -0.066 62.054 62.100 0.032 0.000 1.101 26 T CB 0.173 69.057 68.868 0.027 0.000 0.905 26 T HN 0.331 nan 8.240 nan 0.000 0.516 27 L N 3.455 124.702 121.223 0.040 0.000 2.409 27 L HA 0.495 4.838 4.340 0.005 0.000 0.262 27 L C -0.315 176.583 176.870 0.046 0.000 0.992 27 L CA -1.252 53.610 54.840 0.035 0.000 0.817 27 L CB 2.021 44.108 42.059 0.047 0.000 1.350 27 L HN 0.422 nan 8.230 nan 0.000 0.411 28 N N 3.101 121.805 118.700 0.006 0.000 2.419 28 N HA 0.494 5.237 4.740 0.005 0.000 0.264 28 N C -1.019 174.548 175.510 0.095 0.000 1.031 28 N CA -0.281 52.767 53.050 -0.004 0.000 0.951 28 N CB 1.634 39.908 38.487 -0.354 0.000 1.101 28 N HN 0.306 nan 8.380 nan 0.000 0.488 29 I N 2.671 123.334 120.570 0.156 0.000 2.447 29 I HA 0.225 4.398 4.170 0.005 0.000 0.287 29 I C 0.046 176.188 176.117 0.042 0.000 1.023 29 I CA -0.938 60.438 61.300 0.125 0.000 1.083 29 I CB 1.475 39.550 38.000 0.124 0.000 1.245 29 I HN 0.259 nan 8.210 nan 0.000 0.434 30 L N 7.560 128.678 121.223 -0.176 0.000 2.513 30 L HA 0.123 4.466 4.340 0.005 0.000 0.272 30 L C -0.030 176.688 176.870 -0.254 0.000 1.187 30 L CA 0.397 54.981 54.840 -0.427 0.000 0.895 30 L CB 0.635 42.007 42.059 -1.145 0.000 1.147 30 L HN 0.338 nan 8.230 nan 0.000 0.483 31 V N 5.274 125.087 119.914 -0.168 0.000 2.439 31 V HA 0.189 4.312 4.120 0.005 0.000 0.271 31 V C -0.191 175.802 176.094 -0.168 0.000 1.040 31 V CA -0.074 62.129 62.300 -0.161 0.000 1.002 31 V CB 0.776 32.527 31.823 -0.120 0.000 1.000 31 V HN 0.784 nan 8.190 nan 0.000 0.477 32 D N 3.073 123.368 120.400 -0.174 0.000 2.402 32 D HA 0.242 4.885 4.640 0.005 0.000 0.252 32 D C 0.901 177.149 176.300 -0.088 0.000 1.294 32 D CA -0.205 53.718 54.000 -0.128 0.000 0.948 32 D CB 1.782 42.500 40.800 -0.136 0.000 1.202 32 D HN 0.569 nan 8.370 nan 0.000 0.561 33 T N -0.194 114.325 114.554 -0.059 0.000 3.148 33 T HA 0.189 4.542 4.350 0.005 0.000 0.253 33 T C 1.480 176.286 174.700 0.177 0.000 1.134 33 T CA 0.285 62.411 62.100 0.043 0.000 1.051 33 T CB 0.296 69.106 68.868 -0.098 0.000 0.959 33 T HN 0.296 nan 8.240 nan 0.000 0.525 34 G N 0.903 109.769 108.800 0.109 0.000 3.126 34 G HA2 0.431 4.394 3.960 0.005 0.000 0.224 34 G HA3 0.431 4.394 3.960 0.005 0.000 0.224 34 G C 0.362 175.355 174.900 0.154 0.000 1.142 34 G CA 0.138 45.344 45.100 0.177 0.000 0.759 34 G HN 0.738 nan 8.290 nan 0.000 0.550 35 S N -1.948 113.786 115.700 0.057 0.000 2.720 35 S HA 0.676 5.149 4.470 0.005 0.000 0.287 35 S C -0.005 174.597 174.600 0.003 0.000 1.168 35 S CA -0.269 57.950 58.200 0.031 0.000 0.832 35 S CB 1.852 65.107 63.200 0.092 0.000 1.166 35 S HN -0.089 nan 8.310 nan 0.000 0.493 36 S N 0.004 115.727 115.700 0.038 0.000 2.847 36 S HA 0.382 4.855 4.470 0.005 0.000 0.254 36 S C -0.589 174.086 174.600 0.125 0.000 1.039 36 S CA -0.410 57.819 58.200 0.048 0.000 1.113 36 S CB -0.286 62.925 63.200 0.019 0.000 1.092 36 S HN 0.680 nan 8.310 nan 0.000 0.620 37 N N 1.188 119.992 118.700 0.172 0.000 2.399 37 N HA 0.428 5.171 4.740 0.005 0.000 0.295 37 N C -1.287 174.354 175.510 0.218 0.000 1.048 37 N CA -0.451 52.737 53.050 0.229 0.000 0.886 37 N CB 0.710 39.409 38.487 0.352 0.000 1.185 37 N HN 0.096 nan 8.380 nan 0.000 0.487 38 F N 2.827 122.805 119.950 0.047 0.000 2.462 38 F HA 0.550 5.080 4.527 0.005 0.000 0.354 38 F C -0.406 175.353 175.800 -0.069 0.000 1.192 38 F CA -1.498 56.483 58.000 -0.032 0.000 1.173 38 F CB -0.563 38.432 39.000 -0.009 0.000 1.402 38 F HN 0.428 nan 8.300 nan 0.000 0.595 39 A N 6.633 129.252 122.820 -0.334 0.000 2.311 39 A HA 0.701 5.024 4.320 0.005 0.000 0.306 39 A C -1.209 176.096 177.584 -0.466 0.000 1.189 39 A CA -0.446 51.262 52.037 -0.549 0.000 0.791 39 A CB 0.774 19.127 19.000 -1.078 0.000 1.172 39 A HN 0.804 nan 8.150 nan 0.000 0.481 40 V N 0.644 120.313 119.914 -0.407 0.000 2.628 40 V HA 0.914 5.037 4.120 0.005 0.000 0.306 40 V C 0.525 176.651 176.094 0.053 0.000 1.045 40 V CA -0.301 61.896 62.300 -0.172 0.000 0.905 40 V CB 1.230 32.858 31.823 -0.324 0.000 0.997 40 V HN 1.307 nan 8.190 nan 0.000 0.436 41 G N 2.065 111.011 108.800 0.243 0.000 2.272 41 G HA2 0.483 4.446 3.960 0.005 0.000 0.247 41 G HA3 0.483 4.446 3.960 0.005 0.000 0.247 41 G C 0.541 175.559 174.900 0.198 0.000 1.272 41 G CA 0.186 45.435 45.100 0.249 0.000 0.921 41 G HN 1.856 nan 8.290 nan 0.000 0.495 42 A N 1.618 124.530 122.820 0.152 0.000 2.603 42 A HA 0.774 5.097 4.320 0.005 0.000 0.277 42 A C 0.841 178.430 177.584 0.009 0.000 1.158 42 A CA 0.749 52.879 52.037 0.155 0.000 0.962 42 A CB 0.228 19.299 19.000 0.117 0.000 1.189 42 A HN 1.651 nan 8.150 nan 0.000 0.552 43 A N 0.529 123.227 122.820 -0.204 0.000 2.498 43 A HA 0.761 5.083 4.320 0.005 0.000 0.298 43 A C -3.030 174.054 177.584 -0.834 0.000 1.075 43 A CA -1.679 50.081 52.037 -0.462 0.000 0.714 43 A CB 0.984 19.873 19.000 -0.185 0.000 1.299 43 A HN -0.007 nan 8.150 nan 0.000 0.407 44 P HA 0.035 nan 4.420 nan 0.000 0.230 44 P C -0.429 176.680 177.300 -0.319 0.000 1.791 44 P CA 0.198 62.859 63.100 -0.732 0.000 1.020 44 P CB -0.636 30.796 31.700 -0.447 0.000 1.977 45 H N 4.526 123.391 119.070 -0.342 0.000 2.886 45 H HA 0.046 4.605 4.556 0.005 0.000 0.329 45 H C -1.081 174.096 175.328 -0.253 0.000 1.044 45 H CA -1.071 54.815 56.048 -0.270 0.000 1.456 45 H CB 1.038 30.662 29.762 -0.229 0.000 1.464 45 H HN 0.140 nan 8.280 nan 0.000 0.573 46 P HA -0.157 nan 4.420 nan 0.000 0.221 46 P C 1.184 178.562 177.300 0.130 0.000 1.145 46 P CA 0.892 63.908 63.100 -0.139 0.000 0.795 46 P CB -0.000 31.569 31.700 -0.217 0.000 0.775 47 F N -0.471 119.556 119.950 0.128 0.000 2.558 47 F HA 0.095 4.625 4.527 0.004 0.000 0.298 47 F C 1.567 177.238 175.800 -0.214 0.000 1.119 47 F CA -0.363 57.618 58.000 -0.032 0.000 1.451 47 F CB -1.204 37.796 39.000 0.000 0.000 1.091 47 F HN -0.166 nan 8.300 nan 0.000 0.563 48 L N -0.388 120.810 121.223 -0.042 0.000 2.326 48 L HA 0.183 4.526 4.340 0.005 0.000 0.278 48 L C 1.367 178.172 176.870 -0.108 0.000 1.092 48 L CA -0.420 54.327 54.840 -0.156 0.000 0.810 48 L CB 0.978 42.899 42.059 -0.229 0.000 1.153 48 L HN -0.010 nan 8.230 nan 0.000 0.439 49 H N 1.415 120.432 119.070 -0.089 0.000 2.363 49 H HA 0.116 4.675 4.556 0.005 0.000 0.301 49 H C 0.212 175.520 175.328 -0.032 0.000 1.074 49 H CA 1.083 57.097 56.048 -0.058 0.000 1.354 49 H CB 0.225 29.933 29.762 -0.089 0.000 1.397 49 H HN 0.460 nan 8.280 nan 0.000 0.516 50 R N -0.723 119.835 120.500 0.097 0.000 2.888 50 R HA 0.444 4.787 4.340 0.005 0.000 0.264 50 R C -1.592 174.763 176.300 0.091 0.000 1.045 50 R CA -1.016 55.090 56.100 0.010 0.000 0.962 50 R CB 2.136 32.422 30.300 -0.025 0.000 1.210 50 R HN 0.159 nan 8.270 nan 0.000 0.479 51 Y N -2.109 118.178 120.300 -0.023 0.000 2.624 51 Y HA 0.401 4.954 4.550 0.005 0.000 0.334 51 Y C -1.595 174.333 175.900 0.046 0.000 1.155 51 Y CA -1.592 56.503 58.100 -0.009 0.000 1.046 51 Y CB 0.588 39.021 38.460 -0.044 0.000 1.316 51 Y HN 0.550 nan 8.280 nan 0.000 0.457 52 Y N 3.001 123.346 120.300 0.073 0.000 2.402 52 Y HA 0.336 4.888 4.550 0.004 0.000 0.333 52 Y C -0.361 175.541 175.900 0.004 0.000 1.076 52 Y CA -0.470 57.617 58.100 -0.022 0.000 1.299 52 Y CB 1.013 39.440 38.460 -0.055 0.000 1.197 52 Y HN 0.715 nan 8.280 nan 0.000 0.517 53 Q N 7.384 126.917 119.800 -0.446 0.000 2.509 53 Q HA 0.241 4.584 4.340 0.005 0.000 0.230 53 Q C 0.994 176.505 176.000 -0.816 0.000 1.089 53 Q CA -0.423 55.099 55.803 -0.468 0.000 0.901 53 Q CB 0.914 29.503 28.738 -0.249 0.000 1.208 53 Q HN 0.850 nan 8.270 nan 0.000 0.529 54 R N 0.866 120.703 120.500 -1.106 0.000 2.133 54 R HA -0.251 4.092 4.340 0.005 0.000 0.245 54 R C 1.769 177.737 176.300 -0.552 0.000 1.137 54 R CA 1.775 57.168 56.100 -1.178 0.000 0.947 54 R CB 0.070 29.765 30.300 -1.008 0.000 0.865 54 R HN 0.579 nan 8.270 nan 0.000 0.437 55 Q N 0.113 119.731 119.800 -0.303 0.000 2.297 55 Q HA -0.044 4.298 4.340 0.005 0.000 0.204 55 Q C 1.782 177.744 176.000 -0.064 0.000 0.962 55 Q CA 0.778 56.520 55.803 -0.101 0.000 0.879 55 Q CB 0.216 28.917 28.738 -0.062 0.000 0.947 55 Q HN 0.432 nan 8.270 nan 0.000 0.462 56 L N -0.181 120.975 121.223 -0.111 0.000 2.591 56 L HA 0.091 4.434 4.340 0.005 0.000 0.228 56 L C 0.965 177.825 176.870 -0.018 0.000 1.133 56 L CA -0.124 54.681 54.840 -0.059 0.000 0.880 56 L CB 0.332 42.345 42.059 -0.077 0.000 1.033 56 L HN -0.095 nan 8.230 nan 0.000 0.450 57 S N -0.457 115.241 115.700 -0.004 0.000 2.429 57 S HA 0.164 4.636 4.470 0.005 0.000 0.302 57 S C 1.208 175.882 174.600 0.124 0.000 1.115 57 S CA -0.459 57.790 58.200 0.082 0.000 1.095 57 S CB 1.299 64.591 63.200 0.152 0.000 0.987 57 S HN 0.298 nan 8.310 nan 0.000 0.474 58 S N 2.903 118.663 115.700 0.099 0.000 2.522 58 S HA -0.055 4.418 4.470 0.005 0.000 0.227 58 S C 1.346 176.008 174.600 0.103 0.000 0.986 58 S CA 0.847 59.101 58.200 0.089 0.000 0.929 58 S CB -0.605 62.631 63.200 0.060 0.000 0.769 58 S HN 0.862 nan 8.310 nan 0.000 0.529 59 T N -2.414 112.220 114.554 0.134 0.000 3.069 59 T HA 0.245 4.598 4.350 0.005 0.000 0.252 59 T C 0.103 174.909 174.700 0.176 0.000 1.053 59 T CA -0.595 61.581 62.100 0.127 0.000 0.964 59 T CB -0.617 68.317 68.868 0.112 0.000 1.005 59 T HN 0.398 nan 8.240 nan 0.000 0.532 60 Y N 3.109 123.469 120.300 0.100 0.000 2.425 60 Y HA 0.472 5.026 4.550 0.006 0.000 0.331 60 Y C 0.078 176.032 175.900 0.090 0.000 1.157 60 Y CA -1.291 56.885 58.100 0.125 0.000 1.372 60 Y CB 0.486 39.033 38.460 0.145 0.000 1.253 60 Y HN 0.030 nan 8.280 nan 0.000 0.536 61 R N 4.817 124.942 120.500 -0.626 0.000 2.439 61 R HA 0.165 4.508 4.340 0.005 0.000 0.310 61 R C -1.369 174.464 176.300 -0.777 0.000 0.955 61 R CA -0.988 54.794 56.100 -0.531 0.000 0.853 61 R CB 1.098 31.270 30.300 -0.213 0.000 1.171 61 R HN 0.656 nan 8.270 nan 0.000 0.449 62 D N 3.520 123.577 120.400 -0.572 0.000 2.343 62 D HA 0.028 4.671 4.640 0.005 0.000 0.255 62 D C 0.796 177.022 176.300 -0.124 0.000 1.187 62 D CA 0.088 53.915 54.000 -0.288 0.000 0.875 62 D CB 1.159 41.922 40.800 -0.063 0.000 1.136 62 D HN 0.499 nan 8.370 nan 0.000 0.469 63 L N 3.906 125.098 121.223 -0.053 0.000 2.554 63 L HA 0.087 4.429 4.340 0.005 0.000 0.226 63 L C 1.055 177.934 176.870 0.015 0.000 1.137 63 L CA 0.032 54.867 54.840 -0.008 0.000 0.863 63 L CB -0.074 42.000 42.059 0.025 0.000 0.985 63 L HN 0.420 nan 8.230 nan 0.000 0.451 64 R N 0.701 121.217 120.500 0.027 0.000 3.422 64 R HA -0.190 4.152 4.340 0.005 0.000 0.267 64 R C -0.086 176.236 176.300 0.037 0.000 1.074 64 R CA 0.663 56.782 56.100 0.033 0.000 0.718 64 R CB -1.856 28.455 30.300 0.018 0.000 1.157 64 R HN 0.326 nan 8.270 nan 0.000 0.440 65 K N -0.389 120.042 120.400 0.052 0.000 2.557 65 K HA 0.427 4.750 4.320 0.005 0.000 0.257 65 K C -0.194 176.446 176.600 0.068 0.000 0.933 65 K CA 0.014 56.331 56.287 0.050 0.000 0.820 65 K CB 1.935 34.461 32.500 0.044 0.000 1.330 65 K HN 0.151 nan 8.250 nan 0.000 0.432 66 G N 0.998 109.834 108.800 0.060 0.000 2.522 66 G HA2 0.572 4.535 3.960 0.005 0.000 0.304 66 G HA3 0.572 4.535 3.960 0.005 0.000 0.304 66 G C -1.273 173.668 174.900 0.067 0.000 1.210 66 G CA -0.525 44.619 45.100 0.073 0.000 0.960 66 G HN 0.362 nan 8.290 nan 0.000 0.497 67 V N -0.057 119.898 119.914 0.069 0.000 2.808 67 V HA 0.670 4.793 4.120 0.005 0.000 0.308 67 V C -2.038 174.026 176.094 -0.050 0.000 1.099 67 V CA -0.952 61.354 62.300 0.010 0.000 0.920 67 V CB 1.806 33.637 31.823 0.013 0.000 1.014 67 V HN 0.759 nan 8.190 nan 0.000 0.425 68 Y N 5.568 125.724 120.300 -0.240 0.000 2.332 68 Y HA 0.709 5.262 4.550 0.004 0.000 0.326 68 Y C -0.938 174.730 175.900 -0.387 0.000 0.978 68 Y CA -0.603 57.325 58.100 -0.288 0.000 1.205 68 Y CB 1.924 40.284 38.460 -0.167 0.000 1.131 68 Y HN 0.444 nan 8.280 nan 0.000 0.462 69 V N 9.176 128.538 119.914 -0.921 0.000 2.284 69 V HA 0.416 4.539 4.120 0.005 0.000 0.274 69 V C -2.421 173.266 176.094 -0.678 0.000 1.023 69 V CA -1.587 60.237 62.300 -0.793 0.000 0.808 69 V CB 0.849 31.958 31.823 -1.189 0.000 1.035 69 V HN 0.610 nan 8.190 nan 0.000 0.445 70 P HA 0.589 nan 4.420 nan 0.000 0.287 70 P C -1.454 175.759 177.300 -0.144 0.000 1.270 70 P CA -0.255 62.587 63.100 -0.431 0.000 0.844 70 P CB 1.929 33.499 31.700 -0.217 0.000 1.068 71 Y N -1.989 118.281 120.300 -0.051 0.000 3.276 71 Y HA 0.502 5.055 4.550 0.005 0.000 0.261 71 Y C 1.883 177.795 175.900 0.020 0.000 2.199 71 Y CA -0.637 57.469 58.100 0.010 0.000 0.968 71 Y CB -0.777 37.714 38.460 0.052 0.000 1.755 71 Y HN 0.110 nan 8.280 nan 0.000 0.487 72 T N -0.367 114.384 114.554 0.328 0.000 2.612 72 T HA -0.125 4.227 4.350 0.005 0.000 0.251 72 T C 1.402 176.166 174.700 0.107 0.000 1.090 72 T CA 1.963 64.171 62.100 0.179 0.000 1.198 72 T CB -0.395 68.583 68.868 0.183 0.000 0.878 72 T HN 0.574 nan 8.240 nan 0.000 0.401 73 Q N -0.240 119.675 119.800 0.192 0.000 2.403 73 Q HA 0.291 4.634 4.340 0.005 0.000 0.203 73 Q C 0.573 176.592 176.000 0.031 0.000 0.932 73 Q CA 0.004 55.874 55.803 0.111 0.000 0.945 73 Q CB 0.325 29.142 28.738 0.132 0.000 1.045 73 Q HN 0.526 nan 8.270 nan 0.000 0.511 74 G N -0.235 108.463 108.800 -0.170 0.000 2.815 74 G HA2 0.549 4.512 3.960 0.005 0.000 0.305 74 G HA3 0.549 4.512 3.960 0.005 0.000 0.305 74 G C -1.728 172.511 174.900 -1.103 0.000 1.277 74 G CA -0.849 43.982 45.100 -0.450 0.000 0.795 74 G HN 0.133 nan 8.290 nan 0.000 0.528 75 K N -1.080 118.873 120.400 -0.746 0.000 2.556 75 K HA 0.612 4.935 4.320 0.005 0.000 0.274 75 K C -1.367 175.048 176.600 -0.308 0.000 0.966 75 K CA -1.059 54.785 56.287 -0.737 0.000 0.865 75 K CB 2.272 34.369 32.500 -0.671 0.000 1.444 75 K HN 0.882 nan 8.250 nan 0.000 0.433 76 W N 1.258 122.324 121.300 -0.390 0.000 2.844 76 W HA 0.638 5.300 4.660 0.004 0.000 0.340 76 W C -1.294 174.998 176.519 -0.377 0.000 1.093 76 W CA -0.611 56.458 57.345 -0.461 0.000 1.212 76 W CB 1.406 30.320 29.460 -0.909 0.000 1.422 76 W HN 0.945 nan 8.180 nan 0.000 0.515 77 E N 1.948 122.176 120.200 0.047 0.000 2.408 77 E HA 0.835 5.188 4.350 0.005 0.000 0.275 77 E C -0.668 176.057 176.600 0.209 0.000 0.935 77 E CA -0.934 55.488 56.400 0.037 0.000 0.775 77 E CB 2.267 31.968 29.700 0.003 0.000 1.277 77 E HN 0.794 nan 8.360 nan 0.000 0.455 78 G N 0.556 109.472 108.800 0.194 0.000 2.364 78 G HA2 0.300 4.263 3.960 0.005 0.000 0.286 78 G HA3 0.300 4.263 3.960 0.005 0.000 0.286 78 G C -1.702 173.301 174.900 0.170 0.000 1.241 78 G CA -0.696 44.517 45.100 0.189 0.000 0.887 78 G HN 0.530 nan 8.290 nan 0.000 0.484 79 E N -0.070 120.234 120.200 0.173 0.000 2.166 79 E HA 0.650 5.003 4.350 0.005 0.000 0.275 79 E C -0.240 176.487 176.600 0.212 0.000 0.941 79 E CA -0.574 55.931 56.400 0.175 0.000 0.784 79 E CB 1.248 31.053 29.700 0.175 0.000 1.115 79 E HN 0.460 nan 8.360 nan 0.000 0.399 80 L N 3.394 124.727 121.223 0.184 0.000 2.371 80 L HA 0.727 5.070 4.340 0.005 0.000 0.272 80 L C 0.776 177.760 176.870 0.190 0.000 1.124 80 L CA 0.026 54.975 54.840 0.183 0.000 0.816 80 L CB 1.106 43.246 42.059 0.136 0.000 1.129 80 L HN 0.714 nan 8.230 nan 0.000 0.448 81 G N 0.523 109.449 108.800 0.210 0.000 2.550 81 G HA2 0.569 4.532 3.960 0.005 0.000 0.293 81 G HA3 0.569 4.532 3.960 0.005 0.000 0.293 81 G C -1.280 173.714 174.900 0.158 0.000 1.402 81 G CA -0.259 44.924 45.100 0.138 0.000 0.784 81 G HN 0.548 nan 8.290 nan 0.000 0.482 82 T N -1.723 112.865 114.554 0.056 0.000 2.907 82 T HA 0.775 5.128 4.350 0.005 0.000 0.292 82 T C -1.432 173.382 174.700 0.189 0.000 1.043 82 T CA -0.678 61.497 62.100 0.124 0.000 1.003 82 T CB 2.860 71.764 68.868 0.060 0.000 1.084 82 T HN 0.606 nan 8.240 nan 0.000 0.483 83 D N 0.266 120.804 120.400 0.229 0.000 2.639 83 D HA 0.337 4.980 4.640 0.005 0.000 0.271 83 D C -0.950 175.457 176.300 0.179 0.000 1.254 83 D CA -0.716 53.434 54.000 0.249 0.000 0.810 83 D CB 1.936 42.958 40.800 0.370 0.000 1.351 83 D HN 0.662 nan 8.370 nan 0.000 0.427 84 L N 1.225 122.540 121.223 0.154 0.000 2.361 84 L HA 0.408 4.750 4.340 0.005 0.000 0.278 84 L C -0.239 176.705 176.870 0.123 0.000 1.113 84 L CA -0.413 54.496 54.840 0.115 0.000 0.849 84 L CB 0.891 43.004 42.059 0.089 0.000 1.155 84 L HN 0.066 nan 8.230 nan 0.000 0.452 85 V N 2.312 122.300 119.914 0.123 0.000 2.604 85 V HA 0.652 4.775 4.120 0.005 0.000 0.305 85 V C -0.125 176.033 176.094 0.107 0.000 1.043 85 V CA -0.488 61.890 62.300 0.130 0.000 0.888 85 V CB 1.948 33.882 31.823 0.185 0.000 0.995 85 V HN 0.898 nan 8.190 nan 0.000 0.429 86 S N 3.728 119.469 115.700 0.067 0.000 2.618 86 S HA 0.829 5.301 4.470 0.005 0.000 0.277 86 S C -1.129 173.485 174.600 0.023 0.000 1.138 86 S CA -0.830 57.402 58.200 0.052 0.000 0.844 86 S CB 2.032 65.251 63.200 0.031 0.000 1.127 86 S HN 0.486 nan 8.310 nan 0.000 0.474 87 I N 1.910 122.495 120.570 0.025 0.000 2.390 87 I HA 0.357 4.529 4.170 0.005 0.000 0.283 87 I C -2.017 174.101 176.117 0.002 0.000 1.016 87 I CA -2.379 58.929 61.300 0.014 0.000 1.151 87 I CB 1.993 40.008 38.000 0.025 0.000 1.293 87 I HN 0.451 nan 8.210 nan 0.000 0.458 88 P HA -0.185 nan 4.420 nan 0.000 0.216 88 P C 0.535 177.661 177.300 -0.291 0.000 1.157 88 P CA 1.568 64.567 63.100 -0.170 0.000 0.880 88 P CB 0.058 31.637 31.700 -0.203 0.000 0.791 89 H N -1.120 117.977 119.070 0.044 0.000 2.579 89 H HA 0.491 5.050 4.556 0.005 0.000 0.289 89 H C 0.971 176.336 175.328 0.062 0.000 1.270 89 H CA 0.030 56.109 56.048 0.052 0.000 1.060 89 H CB -0.122 29.670 29.762 0.049 0.000 1.554 89 H HN 0.127 nan 8.280 nan 0.000 0.515 90 G N 1.050 109.915 108.800 0.109 0.000 3.183 90 G HA2 0.313 4.276 3.960 0.005 0.000 0.247 90 G HA3 0.313 4.276 3.960 0.005 0.000 0.247 90 G C -2.632 172.328 174.900 0.099 0.000 1.211 90 G CA -1.231 43.935 45.100 0.110 0.000 0.835 90 G HN -0.045 nan 8.290 nan 0.000 0.604 91 P HA 0.127 nan 4.420 nan 0.000 0.271 91 P C -0.730 176.595 177.300 0.042 0.000 1.218 91 P CA -0.268 62.879 63.100 0.079 0.000 0.780 91 P CB 0.854 32.591 31.700 0.062 0.000 0.901 92 N N 1.959 120.680 118.700 0.036 0.000 3.178 92 N HA 0.212 4.954 4.740 0.005 0.000 0.300 92 N C -0.584 174.932 175.510 0.011 0.000 1.242 92 N CA -0.175 52.886 53.050 0.018 0.000 1.192 92 N CB -0.939 37.557 38.487 0.016 0.000 1.463 92 N HN 0.188 nan 8.380 nan 0.000 0.539 93 V N -1.619 118.296 119.914 0.003 0.000 3.159 93 V HA 0.725 4.848 4.120 0.005 0.000 0.308 93 V C -0.197 175.890 176.094 -0.011 0.000 1.190 93 V CA -0.877 61.416 62.300 -0.011 0.000 1.037 93 V CB 1.850 33.652 31.823 -0.035 0.000 1.060 93 V HN 0.117 nan 8.190 nan 0.000 0.437 94 T N 2.083 116.626 114.554 -0.017 0.000 2.841 94 T HA 0.729 5.082 4.350 0.005 0.000 0.285 94 T C -0.468 174.213 174.700 -0.031 0.000 0.991 94 T CA -0.431 61.665 62.100 -0.007 0.000 0.966 94 T CB 1.399 70.273 68.868 0.009 0.000 0.962 94 T HN 1.426 nan 8.240 nan 0.000 0.438 95 V N 1.281 121.172 119.914 -0.037 0.000 2.769 95 V HA 0.709 4.832 4.120 0.005 0.000 0.312 95 V C -0.108 175.976 176.094 -0.017 0.000 1.061 95 V CA -1.532 60.722 62.300 -0.077 0.000 0.931 95 V CB 1.767 33.464 31.823 -0.211 0.000 1.010 95 V HN 0.855 nan 8.190 nan 0.000 0.433 96 R N 2.576 123.065 120.500 -0.018 0.000 2.248 96 R HA 0.724 5.067 4.340 0.005 0.000 0.328 96 R C -0.190 176.123 176.300 0.022 0.000 1.067 96 R CA 0.424 56.539 56.100 0.025 0.000 0.924 96 R CB 0.498 30.809 30.300 0.019 0.000 1.013 96 R HN 1.196 nan 8.270 nan 0.000 0.454 97 A N 4.211 127.086 122.820 0.092 0.000 2.423 97 A HA 0.431 4.754 4.320 0.005 0.000 0.304 97 A C -0.948 176.758 177.584 0.203 0.000 1.104 97 A CA -1.085 51.029 52.037 0.128 0.000 0.757 97 A CB 1.211 20.334 19.000 0.206 0.000 1.313 97 A HN 0.786 nan 8.150 nan 0.000 0.423 98 N N 0.371 119.194 118.700 0.205 0.000 2.492 98 N HA 0.280 5.023 4.740 0.005 0.000 0.260 98 N C -0.986 174.718 175.510 0.322 0.000 1.215 98 N CA 0.556 53.740 53.050 0.223 0.000 0.923 98 N CB 1.240 39.839 38.487 0.186 0.000 1.092 98 N HN 0.639 nan 8.380 nan 0.000 0.448 99 I N 0.576 121.294 120.570 0.247 0.000 2.571 99 I HA 0.357 4.529 4.170 0.005 0.000 0.289 99 I C -1.026 175.156 176.117 0.107 0.000 1.115 99 I CA -0.747 60.629 61.300 0.126 0.000 1.045 99 I CB 1.366 39.376 38.000 0.016 0.000 1.238 99 I HN 0.471 nan 8.210 nan 0.000 0.424 100 A N 6.598 129.431 122.820 0.021 0.000 2.294 100 A HA 0.749 5.072 4.320 0.005 0.000 0.316 100 A C 0.145 177.743 177.584 0.023 0.000 1.359 100 A CA -0.347 51.753 52.037 0.106 0.000 0.956 100 A CB 0.401 19.540 19.000 0.231 0.000 1.155 100 A HN 0.870 nan 8.150 nan 0.000 0.544 101 A N 4.121 127.020 122.820 0.132 0.000 2.457 101 A HA 0.486 4.809 4.320 0.005 0.000 0.298 101 A C 0.201 177.859 177.584 0.124 0.000 1.288 101 A CA -0.260 51.862 52.037 0.141 0.000 0.956 101 A CB -0.696 18.414 19.000 0.185 0.000 1.135 101 A HN 0.771 nan 8.150 nan 0.000 0.535 102 I N 3.337 123.952 120.570 0.076 0.000 2.581 102 I HA -0.007 4.166 4.170 0.005 0.000 0.285 102 I C 1.577 177.764 176.117 0.117 0.000 1.129 102 I CA 0.519 61.879 61.300 0.100 0.000 1.397 102 I CB 0.673 38.681 38.000 0.013 0.000 1.399 102 I HN 0.793 nan 8.210 nan 0.000 0.537 103 T N 1.121 115.742 114.554 0.112 0.000 3.001 103 T HA 0.214 4.567 4.350 0.005 0.000 0.251 103 T C 0.384 175.128 174.700 0.074 0.000 1.040 103 T CA -0.178 61.966 62.100 0.075 0.000 0.985 103 T CB 0.367 69.274 68.868 0.064 0.000 1.011 103 T HN 0.650 nan 8.240 nan 0.000 0.509 104 E N 0.782 121.039 120.200 0.096 0.000 2.363 104 E HA 0.489 4.842 4.350 0.005 0.000 0.281 104 E C -1.754 174.893 176.600 0.078 0.000 0.953 104 E CA -0.596 55.857 56.400 0.090 0.000 0.778 104 E CB 1.967 31.706 29.700 0.065 0.000 1.220 104 E HN 0.323 nan 8.360 nan 0.000 0.431 105 S N 2.816 118.574 115.700 0.096 0.000 2.537 105 S HA 0.543 5.015 4.470 0.005 0.000 0.270 105 S C -1.537 173.123 174.600 0.100 0.000 1.142 105 S CA -1.030 57.201 58.200 0.053 0.000 0.870 105 S CB 1.852 65.033 63.200 -0.032 0.000 1.112 105 S HN 0.373 nan 8.310 nan 0.000 0.466 106 D N 1.394 121.842 120.400 0.080 0.000 2.492 106 D HA 0.380 5.023 4.640 0.005 0.000 0.248 106 D C -0.741 175.667 176.300 0.181 0.000 1.101 106 D CA -0.391 53.672 54.000 0.105 0.000 0.840 106 D CB 1.590 42.410 40.800 0.033 0.000 1.209 106 D HN 0.750 nan 8.370 nan 0.000 0.524 107 K N 1.334 121.868 120.400 0.223 0.000 3.148 107 K HA -0.245 4.078 4.320 0.005 0.000 0.267 107 K C 0.002 176.814 176.600 0.354 0.000 0.996 107 K CA 0.243 56.689 56.287 0.265 0.000 0.737 107 K CB -1.036 31.601 32.500 0.227 0.000 1.308 107 K HN 0.430 nan 8.250 nan 0.000 0.470 108 F N 0.064 120.074 119.950 0.101 0.000 2.539 108 F HA 0.288 4.817 4.527 0.004 0.000 0.277 108 F C 0.476 176.232 175.800 -0.074 0.000 0.925 108 F CA -0.109 57.879 58.000 -0.020 0.000 1.193 108 F CB 0.406 39.274 39.000 -0.220 0.000 1.128 108 F HN -0.054 nan 8.300 nan 0.000 0.740 109 F N 2.266 122.247 119.950 0.050 0.000 2.459 109 F HA 0.305 4.835 4.527 0.004 0.000 0.346 109 F C 0.155 175.896 175.800 -0.099 0.000 1.128 109 F CA -0.517 57.352 58.000 -0.218 0.000 1.268 109 F CB 0.088 38.947 39.000 -0.236 0.000 1.161 109 F HN -0.231 nan 8.300 nan 0.000 0.583 110 I N 2.533 123.015 120.570 -0.147 0.000 2.331 110 I HA 0.140 4.313 4.170 0.005 0.000 0.292 110 I C 0.038 175.932 176.117 -0.372 0.000 0.998 110 I CA -0.780 60.417 61.300 -0.171 0.000 1.267 110 I CB 0.865 38.791 38.000 -0.124 0.000 1.386 110 I HN 0.447 nan 8.210 nan 0.000 0.476 111 N N 4.992 123.289 118.700 -0.671 0.000 2.427 111 N HA 0.203 4.946 4.740 0.005 0.000 0.269 111 N C 0.745 175.958 175.510 -0.495 0.000 1.235 111 N CA 1.363 53.766 53.050 -1.077 0.000 0.934 111 N CB 0.568 38.225 38.487 -1.383 0.000 1.121 111 N HN 0.876 nan 8.380 nan 0.000 0.480 112 G N 1.465 110.048 108.800 -0.362 0.000 2.231 112 G HA2 -0.236 3.727 3.960 0.005 0.000 0.206 112 G HA3 -0.236 3.727 3.960 0.005 0.000 0.206 112 G C 0.187 175.018 174.900 -0.114 0.000 0.996 112 G CA 0.204 45.191 45.100 -0.187 0.000 0.645 112 G HN 0.927 nan 8.290 nan 0.000 0.498 113 S N -0.294 115.287 115.700 -0.198 0.000 2.624 113 S HA 0.571 5.044 4.470 0.005 0.000 0.263 113 S C 0.600 175.095 174.600 -0.176 0.000 1.287 113 S CA 0.458 58.533 58.200 -0.209 0.000 0.990 113 S CB 1.673 64.590 63.200 -0.472 0.000 0.950 113 S HN 0.293 nan 8.310 nan 0.000 0.561 114 N N 0.431 118.998 118.700 -0.221 0.000 2.234 114 N HA 0.227 4.970 4.740 0.005 0.000 0.227 114 N C -0.747 174.438 175.510 -0.542 0.000 1.151 114 N CA -0.689 52.108 53.050 -0.421 0.000 0.865 114 N CB 0.294 38.525 38.487 -0.427 0.000 1.066 114 N HN 0.769 nan 8.380 nan 0.000 0.515 115 W N -0.263 120.823 121.300 -0.357 0.000 2.639 115 W HA 0.549 5.212 4.660 0.005 0.000 0.347 115 W C -0.510 175.946 176.519 -0.106 0.000 1.067 115 W CA -0.626 56.545 57.345 -0.291 0.000 1.218 115 W CB 0.681 30.045 29.460 -0.160 0.000 1.393 115 W HN -0.119 nan 8.180 nan 0.000 0.557 116 E N 1.386 121.740 120.200 0.257 0.000 2.601 116 E HA 0.342 4.694 4.350 0.005 0.000 0.219 116 E C 0.603 177.444 176.600 0.402 0.000 0.964 116 E CA 0.122 56.587 56.400 0.108 0.000 1.050 116 E CB 1.479 31.186 29.700 0.012 0.000 1.068 116 E HN 0.652 nan 8.360 nan 0.000 0.496 117 G N 0.556 109.696 108.800 0.567 0.000 2.606 117 G HA2 0.588 4.551 3.960 0.005 0.000 0.300 117 G HA3 0.588 4.551 3.960 0.005 0.000 0.300 117 G C -1.562 173.448 174.900 0.184 0.000 1.360 117 G CA -0.839 44.495 45.100 0.389 0.000 0.783 117 G HN 0.115 nan 8.290 nan 0.000 0.484 118 I N -2.193 118.394 120.570 0.028 0.000 2.647 118 I HA 0.792 4.965 4.170 0.005 0.000 0.295 118 I C -1.408 174.738 176.117 0.049 0.000 1.078 118 I CA -1.282 59.967 61.300 -0.085 0.000 1.048 118 I CB 2.387 40.300 38.000 -0.145 0.000 1.239 118 I HN 0.408 nan 8.210 nan 0.000 0.421 119 L N 5.384 126.598 121.223 -0.015 0.000 2.287 119 L HA 0.599 4.942 4.340 0.005 0.000 0.280 119 L C 0.523 177.359 176.870 -0.057 0.000 1.055 119 L CA 0.127 54.950 54.840 -0.028 0.000 0.863 119 L CB 0.686 42.615 42.059 -0.216 0.000 1.245 119 L HN 0.841 nan 8.230 nan 0.000 0.432 120 G N 5.380 114.198 108.800 0.029 0.000 2.428 120 G HA2 0.264 4.227 3.960 0.005 0.000 0.293 120 G HA3 0.264 4.227 3.960 0.005 0.000 0.293 120 G C 0.611 175.507 174.900 -0.006 0.000 1.059 120 G CA -0.296 44.817 45.100 0.021 0.000 1.194 120 G HN 0.741 nan 8.290 nan 0.000 0.435 121 L N 1.828 123.008 121.223 -0.072 0.000 2.592 121 L HA 0.230 4.573 4.340 0.005 0.000 0.227 121 L C 1.999 178.829 176.870 -0.066 0.000 1.127 121 L CA -0.086 54.680 54.840 -0.123 0.000 0.884 121 L CB -0.101 41.731 42.059 -0.377 0.000 1.065 121 L HN 0.576 nan 8.230 nan 0.000 0.457 122 A N -0.909 121.840 122.820 -0.119 0.000 2.336 122 A HA 0.376 4.699 4.320 0.005 0.000 0.278 122 A C -0.646 176.683 177.584 -0.425 0.000 1.371 122 A CA -0.092 51.690 52.037 -0.425 0.000 0.842 122 A CB -0.007 18.818 19.000 -0.292 0.000 1.363 122 A HN 0.074 nan 8.150 nan 0.000 0.517 123 Y N -2.022 118.165 120.300 -0.188 0.000 2.374 123 Y HA 0.453 5.006 4.550 0.004 0.000 0.322 123 Y C 1.624 177.513 175.900 -0.018 0.000 1.275 123 Y CA 0.170 58.227 58.100 -0.071 0.000 1.307 123 Y CB 1.023 39.448 38.460 -0.058 0.000 1.282 123 Y HN 0.655 nan 8.280 nan 0.000 0.509 124 A N 0.426 123.368 122.820 0.203 0.000 1.986 124 A HA -0.231 4.091 4.320 0.005 0.000 0.220 124 A C 1.980 179.628 177.584 0.107 0.000 1.171 124 A CA 2.043 54.158 52.037 0.129 0.000 0.640 124 A CB -0.650 18.421 19.000 0.118 0.000 0.811 124 A HN 0.940 nan 8.150 nan 0.000 0.451 125 E N -0.205 120.069 120.200 0.124 0.000 2.209 125 E HA -0.172 4.181 4.350 0.005 0.000 0.196 125 E C 1.478 178.139 176.600 0.102 0.000 0.993 125 E CA 1.447 57.910 56.400 0.104 0.000 0.819 125 E CB -0.199 29.567 29.700 0.109 0.000 0.745 125 E HN 0.874 nan 8.360 nan 0.000 0.477 126 I N -2.616 117.994 120.570 0.066 0.000 3.904 126 I HA 0.346 4.518 4.170 0.005 0.000 0.333 126 I C 0.550 176.669 176.117 0.004 0.000 1.361 126 I CA -0.560 60.730 61.300 -0.017 0.000 1.116 126 I CB 0.477 38.307 38.000 -0.284 0.000 1.028 126 I HN -0.173 nan 8.210 nan 0.000 0.398 127 A N 2.059 124.907 122.820 0.047 0.000 2.407 127 A HA 0.611 4.933 4.320 0.005 0.000 0.248 127 A C 0.133 177.758 177.584 0.069 0.000 1.082 127 A CA -0.243 51.839 52.037 0.075 0.000 0.785 127 A CB 0.383 19.438 19.000 0.091 0.000 1.020 127 A HN 0.395 nan 8.150 nan 0.000 0.489 128 R N 2.023 122.570 120.500 0.079 0.000 2.670 128 R HA 0.366 4.709 4.340 0.005 0.000 0.289 128 R C -2.288 174.045 176.300 0.054 0.000 0.965 128 R CA -1.950 54.173 56.100 0.038 0.000 0.899 128 R CB 1.490 31.771 30.300 -0.031 0.000 1.173 128 R HN 0.527 nan 8.270 nan 0.000 0.456 129 P HA -0.114 nan 4.420 nan 0.000 0.219 129 P C -0.343 176.976 177.300 0.031 0.000 1.150 129 P CA 1.295 64.407 63.100 0.021 0.000 0.814 129 P CB 0.381 32.096 31.700 0.025 0.000 0.787 130 D N -1.821 118.604 120.400 0.042 0.000 2.752 130 D HA 0.070 4.713 4.640 0.005 0.000 0.313 130 D C 0.107 176.439 176.300 0.052 0.000 1.225 130 D CA -0.616 53.410 54.000 0.043 0.000 0.976 130 D CB -0.410 40.410 40.800 0.034 0.000 1.443 130 D HN -0.228 nan 8.370 nan 0.000 0.515 131 D N -0.991 119.439 120.400 0.049 0.000 2.363 131 D HA -0.091 4.551 4.640 0.005 0.000 0.226 131 D C 1.118 177.451 176.300 0.055 0.000 1.020 131 D CA 0.710 54.744 54.000 0.056 0.000 0.892 131 D CB -0.418 40.412 40.800 0.051 0.000 0.900 131 D HN 0.273 nan 8.370 nan 0.000 0.531 132 S N -0.544 115.186 115.700 0.049 0.000 2.528 132 S HA 0.015 4.487 4.470 0.005 0.000 0.219 132 S C 0.857 175.490 174.600 0.055 0.000 0.985 132 S CA -0.589 57.639 58.200 0.046 0.000 0.914 132 S CB -0.440 62.782 63.200 0.036 0.000 0.776 132 S HN 0.183 nan 8.310 nan 0.000 0.526 133 L N 3.354 124.618 121.223 0.067 0.000 2.385 133 L HA 0.359 4.702 4.340 0.005 0.000 0.285 133 L C 0.208 177.134 176.870 0.092 0.000 1.125 133 L CA -0.137 54.753 54.840 0.084 0.000 0.890 133 L CB 0.126 42.244 42.059 0.099 0.000 1.251 133 L HN 0.296 nan 8.230 nan 0.000 0.445 134 E N 6.505 126.754 120.200 0.083 0.000 2.493 134 E HA 0.089 4.442 4.350 0.005 0.000 0.255 134 E C -2.146 174.515 176.600 0.103 0.000 0.999 134 E CA -1.374 55.074 56.400 0.080 0.000 0.934 134 E CB 0.583 30.315 29.700 0.053 0.000 0.940 134 E HN 0.409 nan 8.360 nan 0.000 0.473 135 P HA -0.038 nan 4.420 nan 0.000 0.272 135 P C -0.051 177.333 177.300 0.139 0.000 1.240 135 P CA -0.194 62.990 63.100 0.141 0.000 0.791 135 P CB 0.367 32.136 31.700 0.116 0.000 0.978 136 F N 0.834 120.795 119.950 0.019 0.000 2.095 136 F HA -0.195 4.336 4.527 0.007 0.000 0.298 136 F C 2.005 177.770 175.800 -0.059 0.000 1.104 136 F CA 1.508 59.464 58.000 -0.074 0.000 1.232 136 F CB -0.688 38.171 39.000 -0.234 0.000 0.987 136 F HN 0.165 nan 8.300 nan 0.000 0.475 137 F N 1.043 120.927 119.950 -0.111 0.000 2.234 137 F HA -0.171 4.360 4.527 0.007 0.000 0.299 137 F C 2.192 177.893 175.800 -0.165 0.000 1.087 137 F CA 1.693 59.586 58.000 -0.178 0.000 1.340 137 F CB -0.475 38.507 39.000 -0.030 0.000 1.031 137 F HN -0.041 nan 8.300 nan 0.000 0.500 138 D N -0.657 119.783 120.400 0.066 0.000 2.117 138 D HA -0.147 4.495 4.640 0.005 0.000 0.197 138 D C 2.445 178.686 176.300 -0.098 0.000 0.987 138 D CA 1.534 55.550 54.000 0.027 0.000 0.829 138 D CB -0.422 40.418 40.800 0.067 0.000 0.961 138 D HN 0.158 nan 8.370 nan 0.000 0.460 139 S N 0.443 116.035 115.700 -0.180 0.000 2.383 139 S HA -0.115 4.358 4.470 0.005 0.000 0.227 139 S C 1.860 176.247 174.600 -0.355 0.000 1.026 139 S CA 0.296 58.356 58.200 -0.233 0.000 0.981 139 S CB -0.207 62.859 63.200 -0.224 0.000 0.818 139 S HN 0.167 nan 8.310 nan 0.000 0.472 140 L N 1.910 122.778 121.223 -0.591 0.000 1.989 140 L HA -0.055 4.287 4.340 0.005 0.000 0.211 140 L C 2.158 178.781 176.870 -0.412 0.000 1.071 140 L CA 1.737 56.189 54.840 -0.646 0.000 0.749 140 L CB -0.675 40.776 42.059 -1.014 0.000 0.890 140 L HN 0.139 nan 8.230 nan 0.000 0.431 141 V N -0.584 119.126 119.914 -0.340 0.000 2.548 141 V HA -0.224 3.899 4.120 0.005 0.000 0.249 141 V C 2.481 178.495 176.094 -0.134 0.000 1.055 141 V CA 1.779 63.971 62.300 -0.180 0.000 1.065 141 V CB -0.698 31.097 31.823 -0.046 0.000 0.681 141 V HN 0.431 nan 8.190 nan 0.000 0.462 142 K N -0.436 119.887 120.400 -0.129 0.000 2.296 142 K HA -0.071 4.252 4.320 0.005 0.000 0.200 142 K C 2.041 178.562 176.600 -0.131 0.000 1.048 142 K CA 0.881 57.108 56.287 -0.101 0.000 0.966 142 K CB 0.011 32.470 32.500 -0.070 0.000 0.754 142 K HN 0.533 nan 8.250 nan 0.000 0.466 143 Q N -0.283 119.417 119.800 -0.167 0.000 2.378 143 Q HA 0.012 4.355 4.340 0.005 0.000 0.216 143 Q C 0.569 176.445 176.000 -0.208 0.000 0.892 143 Q CA 0.513 56.217 55.803 -0.165 0.000 0.931 143 Q CB 1.129 29.778 28.738 -0.148 0.000 1.086 143 Q HN 0.254 nan 8.270 nan 0.000 0.528 144 T N -3.387 111.025 114.554 -0.237 0.000 2.773 144 T HA 0.277 4.630 4.350 0.005 0.000 0.278 144 T C 0.268 174.776 174.700 -0.319 0.000 1.011 144 T CA -0.787 61.161 62.100 -0.253 0.000 1.014 144 T CB 1.013 69.787 68.868 -0.156 0.000 1.293 144 T HN 0.013 nan 8.240 nan 0.000 0.554 145 H N -0.593 118.457 119.070 -0.033 0.000 2.520 145 H HA 0.356 4.912 4.556 0.000 0.000 0.284 145 H C 0.162 175.491 175.328 0.001 0.000 1.037 145 H CA -0.112 55.929 56.048 -0.011 0.000 1.168 145 H CB -0.003 29.758 29.762 -0.002 0.000 1.497 145 H HN 0.264 nan 8.280 nan 0.000 0.547 146 V N 4.312 124.255 119.914 0.049 0.000 2.485 146 V HA 0.013 4.136 4.120 0.005 0.000 0.287 146 V C -1.765 174.368 176.094 0.064 0.000 1.022 146 V CA -1.003 61.323 62.300 0.042 0.000 1.067 146 V CB 0.553 32.344 31.823 -0.052 0.000 0.967 146 V HN 0.139 nan 8.190 nan 0.000 0.479 147 P HA 0.051 nan 4.420 nan 0.000 0.269 147 P C -0.037 177.386 177.300 0.206 0.000 1.209 147 P CA -0.253 62.935 63.100 0.147 0.000 0.776 147 P CB 0.319 32.114 31.700 0.157 0.000 0.876 148 N N 2.867 121.694 118.700 0.211 0.000 3.103 148 N HA 0.177 4.920 4.740 0.005 0.000 0.305 148 N C -0.751 174.950 175.510 0.317 0.000 1.232 148 N CA 0.085 53.330 53.050 0.324 0.000 1.190 148 N CB -1.269 37.361 38.487 0.239 0.000 1.461 148 N HN 0.334 nan 8.380 nan 0.000 0.538 149 L N -1.325 120.137 121.223 0.399 0.000 2.794 149 L HA 0.734 5.076 4.340 0.005 0.000 0.261 149 L C -1.641 175.411 176.870 0.302 0.000 0.989 149 L CA -1.234 53.713 54.840 0.178 0.000 0.900 149 L CB 1.276 43.359 42.059 0.040 0.000 1.473 149 L HN -0.021 nan 8.230 nan 0.000 0.414 150 F N -0.266 119.653 119.950 -0.052 0.000 2.631 150 F HA 0.933 5.463 4.527 0.004 0.000 0.308 150 F C -0.844 174.906 175.800 -0.083 0.000 1.097 150 F CA -0.532 57.444 58.000 -0.039 0.000 0.952 150 F CB 1.670 40.624 39.000 -0.077 0.000 1.307 150 F HN 0.689 nan 8.300 nan 0.000 0.450 151 S N 2.307 118.001 115.700 -0.011 0.000 2.521 151 S HA 0.835 5.308 4.470 0.005 0.000 0.295 151 S C -1.411 173.173 174.600 -0.026 0.000 1.098 151 S CA -0.782 57.286 58.200 -0.219 0.000 0.999 151 S CB 1.720 64.641 63.200 -0.465 0.000 1.034 151 S HN 0.837 nan 8.310 nan 0.000 0.483 152 L N 2.340 123.515 121.223 -0.080 0.000 2.313 152 L HA 0.550 4.893 4.340 0.005 0.000 0.283 152 L C -0.097 176.805 176.870 0.053 0.000 1.013 152 L CA -0.371 54.488 54.840 0.032 0.000 0.816 152 L CB 1.843 43.946 42.059 0.073 0.000 1.236 152 L HN 0.748 nan 8.230 nan 0.000 0.419 153 Q N 4.968 124.851 119.800 0.138 0.000 2.456 153 Q HA 0.455 4.798 4.340 0.005 0.000 0.252 153 Q C -1.510 174.467 176.000 -0.038 0.000 1.042 153 Q CA -0.550 55.345 55.803 0.155 0.000 0.766 153 Q CB 1.126 29.991 28.738 0.211 0.000 1.196 153 Q HN 0.612 nan 8.270 nan 0.000 0.504 154 L N 2.834 123.976 121.223 -0.135 0.000 2.276 154 L HA 0.354 4.697 4.340 0.005 0.000 0.286 154 L C 0.377 177.201 176.870 -0.075 0.000 1.061 154 L CA -0.620 54.015 54.840 -0.340 0.000 0.807 154 L CB 1.194 42.891 42.059 -0.604 0.000 1.177 154 L HN 0.748 nan 8.230 nan 0.000 0.429 155 c N 1.128 119.749 118.600 0.035 0.000 3.230 155 c HA 0.225 4.798 4.570 0.005 0.000 0.300 155 c C 1.378 175.538 174.090 0.116 0.000 1.292 155 c CA -0.171 56.205 56.329 0.078 0.000 1.707 155 c CB -0.274 42.269 42.510 0.055 0.000 2.181 155 c HN 1.129 nan 8.230 nan 0.000 0.655 156 G N 2.038 110.971 108.800 0.223 0.000 2.220 156 G HA2 0.285 4.248 3.960 0.005 0.000 0.248 156 G HA3 0.285 4.248 3.960 0.005 0.000 0.248 156 G C 0.395 175.334 174.900 0.066 0.000 0.791 156 G CA 0.616 45.810 45.100 0.156 0.000 1.197 156 G HN 1.970 nan 8.290 nan 0.000 0.336 169 S N 0.772 116.456 115.700 -0.028 0.000 2.499 169 S HA 0.590 5.062 4.470 0.005 0.000 0.279 169 S C -0.062 174.509 174.600 -0.049 0.000 1.219 169 S CA 0.272 58.450 58.200 -0.037 0.000 1.062 169 S CB 0.872 64.058 63.200 -0.023 0.000 0.978 169 S HN 1.656 nan 8.310 nan 0.000 0.489 170 V N 2.313 122.173 119.914 -0.090 0.000 2.960 170 V HA 1.070 5.193 4.120 0.005 0.000 0.315 170 V C 0.265 176.335 176.094 -0.041 0.000 1.087 170 V CA -0.418 61.837 62.300 -0.075 0.000 0.982 170 V CB 1.368 33.082 31.823 -0.181 0.000 1.039 170 V HN 0.958 nan 8.190 nan 0.000 0.437 171 G N -0.383 108.467 108.800 0.083 0.000 2.680 171 G HA2 0.949 4.912 3.960 0.005 0.000 0.290 171 G HA3 0.949 4.912 3.960 0.005 0.000 0.290 171 G C -0.442 174.567 174.900 0.183 0.000 1.355 171 G CA -0.396 44.759 45.100 0.091 0.000 0.903 171 G HN 1.724 nan 8.290 nan 0.000 0.474 172 G N -1.365 107.485 108.800 0.084 0.000 2.430 172 G HA2 0.565 4.528 3.960 0.005 0.000 0.300 172 G HA3 0.565 4.528 3.960 0.005 0.000 0.300 172 G C -1.433 173.464 174.900 -0.005 0.000 1.330 172 G CA -0.232 44.874 45.100 0.011 0.000 0.813 172 G HN 1.087 nan 8.290 nan 0.000 0.487 173 S N -0.128 115.568 115.700 -0.006 0.000 2.557 173 S HA 0.602 5.074 4.470 0.005 0.000 0.291 173 S C -0.489 174.138 174.600 0.045 0.000 1.116 173 S CA -0.476 57.740 58.200 0.028 0.000 0.992 173 S CB 1.590 64.821 63.200 0.051 0.000 1.028 173 S HN 0.713 nan 8.310 nan 0.000 0.484 174 M N 5.153 124.780 119.600 0.046 0.000 2.036 174 M HA 0.454 4.937 4.480 0.005 0.000 0.337 174 M C -1.533 174.821 176.300 0.089 0.000 1.012 174 M CA -0.649 54.692 55.300 0.068 0.000 0.962 174 M CB 0.072 32.687 32.600 0.024 0.000 1.423 174 M HN 0.445 nan 8.290 nan 0.000 0.405 175 I N 6.740 127.364 120.570 0.090 0.000 2.301 175 I HA 0.248 4.421 4.170 0.005 0.000 0.292 175 I C -0.209 175.943 176.117 0.058 0.000 1.046 175 I CA -0.263 61.039 61.300 0.003 0.000 1.282 175 I CB 0.074 37.988 38.000 -0.143 0.000 1.409 175 I HN 0.692 nan 8.210 nan 0.000 0.484 176 I N 5.176 125.815 120.570 0.115 0.000 2.315 176 I HA 0.433 4.606 4.170 0.005 0.000 0.291 176 I C 1.126 177.366 176.117 0.206 0.000 1.006 176 I CA 0.044 61.488 61.300 0.240 0.000 1.265 176 I CB 1.251 39.381 38.000 0.216 0.000 1.387 176 I HN 0.848 nan 8.210 nan 0.000 0.475 177 G N 3.720 112.679 108.800 0.264 0.000 2.141 177 G HA2 0.014 3.977 3.960 0.005 0.000 0.231 177 G HA3 0.014 3.977 3.960 0.005 0.000 0.231 177 G C 0.182 175.207 174.900 0.207 0.000 0.984 177 G CA -0.254 44.992 45.100 0.243 0.000 0.660 177 G HN 1.252 nan 8.290 nan 0.000 0.525 178 G N -1.277 107.530 108.800 0.012 0.000 2.325 178 G HA2 0.576 4.539 3.960 0.005 0.000 0.295 178 G HA3 0.576 4.539 3.960 0.005 0.000 0.295 178 G C -1.570 173.180 174.900 -0.251 0.000 1.274 178 G CA -0.297 44.767 45.100 -0.061 0.000 0.857 178 G HN 0.831 nan 8.290 nan 0.000 0.499 179 I N 0.853 121.347 120.570 -0.127 0.000 2.498 179 I HA 0.344 4.517 4.170 0.005 0.000 0.290 179 I C -1.311 174.876 176.117 0.117 0.000 1.032 179 I CA -0.690 60.618 61.300 0.014 0.000 1.073 179 I CB 2.294 40.329 38.000 0.058 0.000 1.251 179 I HN 0.344 nan 8.210 nan 0.000 0.426 180 D N 4.713 125.208 120.400 0.159 0.000 2.359 180 D HA 0.189 4.832 4.640 0.005 0.000 0.230 180 D C 0.897 177.290 176.300 0.155 0.000 1.118 180 D CA -0.167 53.965 54.000 0.220 0.000 0.844 180 D CB 0.880 41.747 40.800 0.111 0.000 1.059 180 D HN 0.462 nan 8.370 nan 0.000 0.493 181 H N 1.092 120.230 119.070 0.113 0.000 2.387 181 H HA -0.144 4.414 4.556 0.004 0.000 0.299 181 H C 1.997 177.089 175.328 -0.394 0.000 1.099 181 H CA 1.916 57.907 56.048 -0.095 0.000 1.315 181 H CB 0.132 29.849 29.762 -0.075 0.000 1.380 181 H HN 0.361 nan 8.280 nan 0.000 0.513 182 S N 0.048 115.698 115.700 -0.083 0.000 2.607 182 S HA 0.016 4.489 4.470 0.005 0.000 0.224 182 S C 1.471 175.954 174.600 -0.195 0.000 0.969 182 S CA 0.282 58.397 58.200 -0.143 0.000 0.927 182 S CB -0.274 62.893 63.200 -0.056 0.000 0.772 182 S HN 0.348 nan 8.310 nan 0.000 0.533 183 L N 0.490 121.534 121.223 -0.297 0.000 2.607 183 L HA 0.372 4.714 4.340 0.005 0.000 0.228 183 L C 0.173 176.851 176.870 -0.320 0.000 1.123 183 L CA -0.339 54.272 54.840 -0.382 0.000 0.890 183 L CB -0.251 41.414 42.059 -0.658 0.000 1.103 183 L HN 0.606 nan 8.230 nan 0.000 0.468 184 Y N -2.325 117.783 120.300 -0.321 0.000 2.625 184 Y HA 0.677 5.229 4.550 0.004 0.000 0.338 184 Y C -0.430 175.440 175.900 -0.049 0.000 1.123 184 Y CA -1.316 56.700 58.100 -0.140 0.000 1.046 184 Y CB 1.050 39.476 38.460 -0.057 0.000 1.299 184 Y HN -0.086 nan 8.280 nan 0.000 0.464 185 T N -0.829 113.787 114.554 0.102 0.000 2.916 185 T HA 0.814 5.167 4.350 0.005 0.000 0.292 185 T C 0.435 175.252 174.700 0.195 0.000 1.064 185 T CA -0.275 61.846 62.100 0.035 0.000 1.011 185 T CB 1.127 69.999 68.868 0.007 0.000 1.152 185 T HN 2.287 nan 8.240 nan 0.000 0.510 186 G N 1.483 110.364 108.800 0.136 0.000 2.512 186 G HA2 0.028 3.991 3.960 0.005 0.000 0.254 186 G HA3 0.028 3.991 3.960 0.005 0.000 0.254 186 G C -0.042 175.012 174.900 0.256 0.000 1.199 186 G CA 0.041 45.245 45.100 0.174 0.000 0.941 186 G HN 2.130 nan 8.290 nan 0.000 0.569 187 S N -0.862 114.984 115.700 0.243 0.000 2.532 187 S HA 0.766 5.239 4.470 0.005 0.000 0.301 187 S C -0.314 174.323 174.600 0.061 0.000 1.083 187 S CA -0.764 57.535 58.200 0.165 0.000 1.025 187 S CB 2.160 65.423 63.200 0.105 0.000 1.056 187 S HN 0.966 nan 8.310 nan 0.000 0.494 188 L N 2.154 123.259 121.223 -0.196 0.000 2.281 188 L HA 0.427 4.770 4.340 0.005 0.000 0.285 188 L C -1.155 175.380 176.870 -0.559 0.000 1.074 188 L CA -0.339 54.243 54.840 -0.430 0.000 0.817 188 L CB 0.362 42.057 42.059 -0.608 0.000 1.168 188 L HN 0.730 nan 8.230 nan 0.000 0.434 189 W N 2.948 123.843 121.300 -0.676 0.000 2.666 189 W HA 0.454 5.117 4.660 0.005 0.000 0.334 189 W C -0.749 175.116 176.519 -1.090 0.000 1.051 189 W CA -0.299 56.508 57.345 -0.895 0.000 1.224 189 W CB 1.095 29.777 29.460 -1.297 0.000 1.405 189 W HN 0.195 nan 8.180 nan 0.000 0.513 190 Y N 1.208 121.259 120.300 -0.414 0.000 2.377 190 Y HA 0.501 5.054 4.550 0.005 0.000 0.339 190 Y C 0.524 176.518 175.900 0.156 0.000 1.011 190 Y CA -0.810 57.202 58.100 -0.147 0.000 1.093 190 Y CB 2.132 40.516 38.460 -0.127 0.000 1.201 190 Y HN 0.161 nan 8.280 nan 0.000 0.455 191 T N 5.113 119.952 114.554 0.476 0.000 2.823 191 T HA 0.499 4.852 4.350 0.005 0.000 0.279 191 T C -2.880 171.995 174.700 0.292 0.000 0.998 191 T CA -2.658 59.729 62.100 0.479 0.000 0.994 191 T CB 0.910 70.060 68.868 0.471 0.000 0.960 191 T HN 0.239 nan 8.240 nan 0.000 0.448 192 P HA 0.303 nan 4.420 nan 0.000 0.276 192 P C -0.440 176.966 177.300 0.177 0.000 1.230 192 P CA -0.285 62.917 63.100 0.171 0.000 0.776 192 P CB 0.248 32.031 31.700 0.137 0.000 0.888 193 I N 3.602 124.279 120.570 0.178 0.000 2.505 193 I HA 0.079 4.252 4.170 0.005 0.000 0.287 193 I C 2.052 178.262 176.117 0.156 0.000 1.104 193 I CA 0.102 61.528 61.300 0.209 0.000 1.387 193 I CB 0.381 38.537 38.000 0.260 0.000 1.404 193 I HN 0.436 nan 8.210 nan 0.000 0.528 194 R N 5.886 126.493 120.500 0.177 0.000 2.066 194 R HA 0.016 4.359 4.340 0.005 0.000 0.232 194 R C 0.852 177.212 176.300 0.101 0.000 1.131 194 R CA 1.239 57.424 56.100 0.141 0.000 0.955 194 R CB 0.275 30.679 30.300 0.172 0.000 0.851 194 R HN 0.610 nan 8.270 nan 0.000 0.432 195 R N 0.351 120.942 120.500 0.151 0.000 2.604 195 R HA 0.131 4.474 4.340 0.005 0.000 0.281 195 R C -1.500 174.871 176.300 0.119 0.000 1.020 195 R CA -0.456 55.678 56.100 0.056 0.000 0.899 195 R CB 1.701 31.962 30.300 -0.065 0.000 1.205 195 R HN 0.067 nan 8.270 nan 0.000 0.450 196 E N 5.175 125.294 120.200 -0.134 0.000 1.861 196 E HA 0.079 4.432 4.350 0.005 0.000 0.263 196 E C -0.311 176.251 176.600 -0.063 0.000 1.137 196 E CA -0.031 56.066 56.400 -0.504 0.000 0.944 196 E CB 0.331 29.522 29.700 -0.848 0.000 1.092 196 E HN 0.535 nan 8.360 nan 0.000 0.420 197 W N 2.173 123.408 121.300 -0.108 0.000 4.548 197 W HA 0.127 4.790 4.660 0.004 0.000 0.165 197 W C -0.398 176.097 176.519 -0.039 0.000 3.454 197 W CA -0.251 57.080 57.345 -0.023 0.000 1.250 197 W CB -0.425 28.999 29.460 -0.060 0.000 2.050 197 W HN 0.066 nan 8.180 nan 0.000 0.444 198 Y N 0.945 120.946 120.300 -0.498 0.000 2.289 198 Y HA 0.308 4.862 4.550 0.005 0.000 0.332 198 Y C -0.005 175.810 175.900 -0.142 0.000 1.324 198 Y CA -0.213 57.629 58.100 -0.429 0.000 1.478 198 Y CB 0.017 38.060 38.460 -0.695 0.000 1.378 198 Y HN -0.177 nan 8.280 nan 0.000 0.558 199 Y N 0.944 121.420 120.300 0.293 0.000 2.570 199 Y HA 0.099 4.651 4.550 0.004 0.000 0.336 199 Y C 0.427 176.472 175.900 0.242 0.000 1.284 199 Y CA -0.388 57.908 58.100 0.327 0.000 1.761 199 Y CB -0.521 38.155 38.460 0.359 0.000 1.724 199 Y HN 0.392 nan 8.280 nan 0.000 0.455 200 E N 2.597 123.009 120.200 0.354 0.000 2.229 200 E HA 0.433 4.786 4.350 0.005 0.000 0.283 200 E C -0.685 176.077 176.600 0.271 0.000 1.030 200 E CA -0.456 56.123 56.400 0.298 0.000 0.836 200 E CB 0.810 30.772 29.700 0.435 0.000 1.068 200 E HN 0.417 nan 8.360 nan 0.000 0.401 201 V N 1.639 121.679 119.914 0.211 0.000 3.158 201 V HA 0.636 4.758 4.120 0.005 0.000 0.315 201 V C -0.333 175.840 176.094 0.132 0.000 1.148 201 V CA -0.984 61.419 62.300 0.173 0.000 1.042 201 V CB 1.711 33.629 31.823 0.159 0.000 1.101 201 V HN 0.560 nan 8.190 nan 0.000 0.448 202 I N 1.767 122.396 120.570 0.098 0.000 2.410 202 I HA 0.470 4.642 4.170 0.005 0.000 0.286 202 I C -0.703 175.425 176.117 0.018 0.000 1.009 202 I CA -0.384 60.965 61.300 0.081 0.000 1.111 202 I CB 1.714 39.771 38.000 0.095 0.000 1.262 202 I HN 0.503 nan 8.210 nan 0.000 0.443 203 I N 6.794 127.377 120.570 0.021 0.000 2.371 203 I HA 0.088 4.261 4.170 0.005 0.000 0.290 203 I C 1.209 177.350 176.117 0.040 0.000 1.028 203 I CA -0.194 61.081 61.300 -0.041 0.000 1.345 203 I CB 1.393 39.351 38.000 -0.070 0.000 1.407 203 I HN 0.500 nan 8.210 nan 0.000 0.501 204 V N 2.715 122.618 119.914 -0.018 0.000 3.621 204 V HA 0.396 4.519 4.120 0.005 0.000 0.263 204 V C 0.628 176.730 176.094 0.013 0.000 1.272 204 V CA 0.096 62.416 62.300 0.034 0.000 1.080 204 V CB -0.125 31.695 31.823 -0.004 0.000 0.816 204 V HN 0.861 nan 8.190 nan 0.000 0.451 205 R N -0.403 120.013 120.500 -0.140 0.000 2.644 205 R HA 0.642 4.984 4.340 0.005 0.000 0.257 205 R C -2.418 173.676 176.300 -0.343 0.000 1.082 205 R CA -0.339 55.604 56.100 -0.261 0.000 0.927 205 R CB 2.564 32.562 30.300 -0.503 0.000 1.258 205 R HN 0.083 nan 8.270 nan 0.000 0.459 206 V N 2.636 122.289 119.914 -0.436 0.000 2.656 206 V HA 0.531 4.654 4.120 0.005 0.000 0.307 206 V C -0.713 175.308 176.094 -0.122 0.000 1.051 206 V CA -0.762 61.344 62.300 -0.325 0.000 0.893 206 V CB 2.066 33.562 31.823 -0.545 0.000 0.999 206 V HN 0.774 nan 8.190 nan 0.000 0.426 207 E N 3.774 123.951 120.200 -0.040 0.000 2.293 207 E HA 0.590 4.943 4.350 0.005 0.000 0.270 207 E C -1.564 175.032 176.600 -0.007 0.000 0.879 207 E CA -0.778 55.619 56.400 -0.005 0.000 0.756 207 E CB 2.592 32.326 29.700 0.056 0.000 1.208 207 E HN 0.407 nan 8.360 nan 0.000 0.428 208 I N 3.239 123.812 120.570 0.005 0.000 2.382 208 I HA 0.212 4.385 4.170 0.005 0.000 0.285 208 I C -0.014 176.127 176.117 0.041 0.000 1.007 208 I CA -0.643 60.672 61.300 0.025 0.000 1.142 208 I CB 0.733 38.743 38.000 0.017 0.000 1.289 208 I HN 0.608 nan 8.210 nan 0.000 0.453 209 N N 5.108 123.845 118.700 0.062 0.000 2.708 209 N HA -0.220 4.523 4.740 0.005 0.000 0.249 209 N C 1.211 176.747 175.510 0.044 0.000 1.097 209 N CA 1.427 54.515 53.050 0.063 0.000 0.710 209 N CB -0.749 37.779 38.487 0.067 0.000 1.032 209 N HN 1.126 nan 8.380 nan 0.000 0.551 210 G N -1.887 106.935 108.800 0.037 0.000 2.241 210 G HA2 -0.328 3.635 3.960 0.005 0.000 0.244 210 G HA3 -0.328 3.635 3.960 0.005 0.000 0.244 210 G C -0.178 174.733 174.900 0.018 0.000 0.998 210 G CA 0.352 45.472 45.100 0.033 0.000 0.621 210 G HN 0.418 nan 8.290 nan 0.000 0.519 211 Q N 1.545 121.352 119.800 0.013 0.000 2.286 211 Q HA 0.316 4.659 4.340 0.005 0.000 0.267 211 Q C -0.104 175.890 176.000 -0.010 0.000 1.028 211 Q CA -0.131 55.672 55.803 0.000 0.000 0.901 211 Q CB 1.231 29.970 28.738 0.001 0.000 1.183 211 Q HN 0.496 nan 8.270 nan 0.000 0.392 212 D N 1.989 122.374 120.400 -0.024 0.000 2.455 212 D HA -0.075 4.568 4.640 0.005 0.000 0.241 212 D C 0.627 176.921 176.300 -0.009 0.000 1.138 212 D CA -0.160 53.817 54.000 -0.037 0.000 0.877 212 D CB 0.785 41.551 40.800 -0.057 0.000 1.187 212 D HN 0.318 nan 8.370 nan 0.000 0.451 213 L N 3.443 124.675 121.223 0.014 0.000 2.478 213 L HA 0.048 4.391 4.340 0.005 0.000 0.223 213 L C 1.096 178.004 176.870 0.063 0.000 1.140 213 L CA 0.914 55.785 54.840 0.052 0.000 0.842 213 L CB -0.553 41.569 42.059 0.104 0.000 0.953 213 L HN 0.534 nan 8.230 nan 0.000 0.452 214 K N -0.914 119.518 120.400 0.053 0.000 3.230 214 K HA -0.221 4.102 4.320 0.005 0.000 0.285 214 K C 0.129 176.726 176.600 -0.003 0.000 1.196 214 K CA 0.853 57.149 56.287 0.015 0.000 0.838 214 K CB -2.121 30.374 32.500 -0.007 0.000 1.262 214 K HN 0.372 nan 8.250 nan 0.000 0.492 215 M N 0.596 120.203 119.600 0.011 0.000 2.478 215 M HA 0.160 4.643 4.480 0.005 0.000 0.327 215 M C 0.487 176.647 176.300 -0.232 0.000 1.187 215 M CA -0.553 54.654 55.300 -0.154 0.000 1.022 215 M CB 1.002 33.420 32.600 -0.303 0.000 1.629 215 M HN -0.037 nan 8.290 nan 0.000 0.461 216 D N 1.703 121.963 120.400 -0.234 0.000 2.520 216 D HA -0.051 4.592 4.640 0.005 0.000 0.243 216 D C 1.122 177.218 176.300 -0.340 0.000 1.160 216 D CA -0.012 53.865 54.000 -0.206 0.000 0.877 216 D CB 0.801 41.504 40.800 -0.162 0.000 1.150 216 D HN 0.851 nan 8.370 nan 0.000 0.494 217 c N 3.553 122.043 118.600 -0.184 0.000 2.422 217 c HA -0.018 4.555 4.570 0.005 0.000 0.286 217 c C 2.175 176.229 174.090 -0.060 0.000 1.412 217 c CA -0.029 56.251 56.329 -0.081 0.000 1.786 217 c CB -0.722 41.861 42.510 0.122 0.000 1.835 217 c HN 0.660 nan 8.230 nan 0.000 0.533 218 K N 0.823 121.179 120.400 -0.074 0.000 2.283 218 K HA -0.080 4.242 4.320 0.005 0.000 0.202 218 K C 2.109 178.692 176.600 -0.028 0.000 1.048 218 K CA 1.138 57.432 56.287 0.012 0.000 0.948 218 K CB -0.082 32.441 32.500 0.038 0.000 0.742 218 K HN 0.540 nan 8.250 nan 0.000 0.458 219 E N -0.252 119.823 120.200 -0.208 0.000 2.150 219 E HA -0.179 4.174 4.350 0.005 0.000 0.193 219 E C 1.679 178.230 176.600 -0.081 0.000 0.985 219 E CA 1.147 57.421 56.400 -0.211 0.000 0.814 219 E CB -0.185 29.312 29.700 -0.338 0.000 0.752 219 E HN 0.543 nan 8.360 nan 0.000 0.466 220 Y N 0.953 121.280 120.300 0.044 0.000 2.421 220 Y HA -0.031 4.521 4.550 0.005 0.000 0.292 220 Y C 1.244 177.176 175.900 0.052 0.000 1.136 220 Y CA 0.358 58.480 58.100 0.037 0.000 1.255 220 Y CB 0.164 38.629 38.460 0.008 0.000 0.991 220 Y HN -0.009 nan 8.280 nan 0.000 0.552 221 N N -0.850 117.973 118.700 0.204 0.000 2.480 221 N HA 0.008 4.751 4.740 0.005 0.000 0.281 221 N C -1.360 174.248 175.510 0.163 0.000 1.381 221 N CA -0.111 53.042 53.050 0.172 0.000 0.903 221 N CB 0.234 38.831 38.487 0.184 0.000 1.274 221 N HN 0.192 nan 8.380 nan 0.000 0.505 222 Y N 2.752 123.026 120.300 -0.044 0.000 2.385 222 Y HA 0.180 4.733 4.550 0.005 0.000 0.341 222 Y C 0.292 176.088 175.900 -0.173 0.000 0.965 222 Y CA -1.257 56.717 58.100 -0.209 0.000 1.180 222 Y CB 0.546 38.862 38.460 -0.241 0.000 1.139 222 Y HN 0.031 nan 8.280 nan 0.000 0.502 223 D N 4.514 124.540 120.400 -0.624 0.000 2.427 223 D HA 0.171 4.814 4.640 0.005 0.000 0.224 223 D C -0.365 175.943 176.300 0.013 0.000 1.157 223 D CA -0.088 53.621 54.000 -0.484 0.000 0.828 223 D CB 0.165 40.613 40.800 -0.587 0.000 0.974 223 D HN 0.442 nan 8.370 nan 0.000 0.498 224 K N -0.672 119.742 120.400 0.022 0.000 2.653 224 K HA 0.286 4.609 4.320 0.005 0.000 0.274 224 K C -1.984 174.639 176.600 0.039 0.000 0.974 224 K CA -0.431 55.908 56.287 0.088 0.000 0.868 224 K CB 1.345 33.861 32.500 0.027 0.000 1.408 224 K HN -0.123 nan 8.250 nan 0.000 0.397 225 S N 3.363 119.104 115.700 0.070 0.000 2.733 225 S HA 0.531 5.004 4.470 0.005 0.000 0.294 225 S C -0.614 174.013 174.600 0.047 0.000 1.149 225 S CA -0.789 57.438 58.200 0.044 0.000 1.034 225 S CB 0.417 63.659 63.200 0.070 0.000 1.015 225 S HN 0.492 nan 8.310 nan 0.000 0.486 226 I N -0.184 120.385 120.570 -0.002 0.000 2.846 226 I HA 0.819 4.991 4.170 0.005 0.000 0.307 226 I C -0.931 175.245 176.117 0.098 0.000 1.053 226 I CA -1.270 60.050 61.300 0.033 0.000 1.050 226 I CB 1.723 39.652 38.000 -0.118 0.000 1.239 226 I HN 0.210 nan 8.210 nan 0.000 0.439 227 V N 2.853 122.888 119.914 0.202 0.000 2.350 227 V HA 0.398 4.521 4.120 0.005 0.000 0.276 227 V C -0.916 175.325 176.094 0.246 0.000 1.028 227 V CA 0.056 62.494 62.300 0.230 0.000 0.860 227 V CB 0.817 32.794 31.823 0.255 0.000 0.990 227 V HN 0.776 nan 8.190 nan 0.000 0.453 228 D N 2.728 123.226 120.400 0.163 0.000 2.575 228 D HA 0.285 4.928 4.640 0.005 0.000 0.250 228 D C 0.971 177.324 176.300 0.089 0.000 1.279 228 D CA -0.126 53.945 54.000 0.117 0.000 0.925 228 D CB 2.153 42.989 40.800 0.060 0.000 1.261 228 D HN 0.449 nan 8.370 nan 0.000 0.567 229 S N 1.481 117.219 115.700 0.063 0.000 2.515 229 S HA 0.045 4.518 4.470 0.005 0.000 0.231 229 S C 1.757 176.377 174.600 0.035 0.000 0.987 229 S CA 0.460 58.684 58.200 0.040 0.000 0.936 229 S CB 0.134 63.323 63.200 -0.019 0.000 0.766 229 S HN 0.430 nan 8.310 nan 0.000 0.528 230 G N 0.505 109.307 108.800 0.003 0.000 3.088 230 G HA2 0.336 4.299 3.960 0.005 0.000 0.212 230 G HA3 0.336 4.299 3.960 0.005 0.000 0.212 230 G C 0.011 174.904 174.900 -0.011 0.000 1.173 230 G CA -0.083 44.998 45.100 -0.033 0.000 0.779 230 G HN 0.467 nan 8.290 nan 0.000 0.540 231 T N -0.518 114.048 114.554 0.020 0.000 2.863 231 T HA 0.404 4.757 4.350 0.005 0.000 0.285 231 T C 1.068 175.796 174.700 0.046 0.000 1.009 231 T CA -0.400 61.712 62.100 0.020 0.000 0.989 231 T CB 2.133 71.006 68.868 0.009 0.000 1.004 231 T HN -0.052 nan 8.240 nan 0.000 0.455 232 T N 2.210 116.788 114.554 0.039 0.000 2.814 232 T HA 0.062 4.415 4.350 0.005 0.000 0.254 232 T C 0.995 175.722 174.700 0.045 0.000 1.037 232 T CA 0.533 62.665 62.100 0.052 0.000 1.143 232 T CB -0.066 68.825 68.868 0.040 0.000 0.866 232 T HN 0.367 nan 8.240 nan 0.000 0.431 233 N N 1.428 120.140 118.700 0.020 0.000 2.445 233 N HA 0.336 5.079 4.740 0.005 0.000 0.264 233 N C -0.756 174.760 175.510 0.010 0.000 1.227 233 N CA -0.665 52.387 53.050 0.003 0.000 0.963 233 N CB 0.367 38.841 38.487 -0.023 0.000 1.188 233 N HN 0.092 nan 8.380 nan 0.000 0.491 234 L N 1.612 122.836 121.223 0.002 0.000 2.342 234 L HA 0.254 4.597 4.340 0.005 0.000 0.285 234 L C -0.232 176.637 176.870 -0.001 0.000 1.095 234 L CA 0.095 54.939 54.840 0.006 0.000 0.843 234 L CB -0.264 41.798 42.059 0.005 0.000 1.201 234 L HN 0.335 nan 8.230 nan 0.000 0.445 235 R N 6.067 126.566 120.500 -0.002 0.000 2.294 235 R HA 0.659 5.001 4.340 0.005 0.000 0.319 235 R C -1.132 175.177 176.300 0.016 0.000 0.984 235 R CA -0.639 55.454 56.100 -0.012 0.000 0.861 235 R CB 1.168 31.443 30.300 -0.041 0.000 1.104 235 R HN 0.611 nan 8.270 nan 0.000 0.451 236 L N 3.886 125.142 121.223 0.055 0.000 2.354 236 L HA 0.537 4.880 4.340 0.005 0.000 0.269 236 L C -2.303 174.626 176.870 0.099 0.000 1.005 236 L CA -2.841 52.064 54.840 0.108 0.000 0.819 236 L CB 2.109 44.285 42.059 0.195 0.000 1.311 236 L HN 0.273 nan 8.230 nan 0.000 0.423 237 P HA 0.043 nan 4.420 nan 0.000 0.266 237 P C -0.050 177.340 177.300 0.151 0.000 1.195 237 P CA -0.037 63.127 63.100 0.108 0.000 0.768 237 P CB 0.589 32.379 31.700 0.149 0.000 0.838 238 K N 2.295 122.767 120.400 0.119 0.000 2.049 238 K HA -0.266 4.057 4.320 0.005 0.000 0.219 238 K C 1.650 178.368 176.600 0.196 0.000 1.056 238 K CA 2.081 58.456 56.287 0.148 0.000 0.946 238 K CB -0.333 32.227 32.500 0.100 0.000 0.723 238 K HN 0.428 nan 8.250 nan 0.000 0.453 239 K N 0.323 120.799 120.400 0.127 0.000 2.148 239 K HA -0.080 4.243 4.320 0.005 0.000 0.204 239 K C 2.073 178.724 176.600 0.086 0.000 1.050 239 K CA 1.187 57.521 56.287 0.078 0.000 0.942 239 K CB 0.034 32.541 32.500 0.011 0.000 0.724 239 K HN -0.022 nan 8.250 nan 0.000 0.446 240 V N 0.814 120.805 119.914 0.128 0.000 2.407 240 V HA -0.191 3.932 4.120 0.005 0.000 0.245 240 V C 1.881 178.078 176.094 0.171 0.000 1.041 240 V CA 1.337 63.734 62.300 0.162 0.000 1.040 240 V CB -0.483 31.482 31.823 0.236 0.000 0.671 240 V HN 0.213 nan 8.190 nan 0.000 0.455 241 F N 1.567 121.557 119.950 0.066 0.000 2.095 241 F HA -0.207 4.323 4.527 0.005 0.000 0.298 241 F C 2.336 178.169 175.800 0.056 0.000 1.104 241 F CA 2.184 60.226 58.000 0.069 0.000 1.232 241 F CB -0.256 38.788 39.000 0.073 0.000 0.987 241 F HN 0.198 nan 8.300 nan 0.000 0.475 242 E N 0.279 120.504 120.200 0.042 0.000 2.049 242 E HA -0.262 4.091 4.350 0.005 0.000 0.198 242 E C 2.376 178.880 176.600 -0.160 0.000 1.007 242 E CA 1.350 57.700 56.400 -0.084 0.000 0.809 242 E CB -0.515 29.206 29.700 0.035 0.000 0.749 242 E HN 0.529 nan 8.360 nan 0.000 0.450 243 A N 1.182 123.955 122.820 -0.078 0.000 1.898 243 A HA -0.060 4.263 4.320 0.005 0.000 0.216 243 A C 2.358 179.880 177.584 -0.103 0.000 1.181 243 A CA 1.584 53.578 52.037 -0.072 0.000 0.620 243 A CB -0.614 18.380 19.000 -0.011 0.000 0.819 243 A HN 0.299 nan 8.150 nan 0.000 0.442 244 A N -0.501 122.258 122.820 -0.102 0.000 1.877 244 A HA -0.011 4.312 4.320 0.005 0.000 0.216 244 A C 2.241 179.719 177.584 -0.175 0.000 1.186 244 A CA 1.842 53.817 52.037 -0.104 0.000 0.620 244 A CB -0.965 17.997 19.000 -0.064 0.000 0.822 244 A HN 0.374 nan 8.150 nan 0.000 0.443 245 V N 0.396 120.110 119.914 -0.332 0.000 2.295 245 V HA -0.278 3.845 4.120 0.005 0.000 0.246 245 V C 2.556 178.343 176.094 -0.512 0.000 1.049 245 V CA 2.394 64.404 62.300 -0.482 0.000 1.024 245 V CB -0.689 30.699 31.823 -0.725 0.000 0.648 245 V HN 0.734 nan 8.190 nan 0.000 0.447 246 K N -0.168 120.003 120.400 -0.382 0.000 2.113 246 K HA -0.233 4.090 4.320 0.005 0.000 0.208 246 K C 2.402 178.872 176.600 -0.218 0.000 1.047 246 K CA 1.948 58.060 56.287 -0.292 0.000 0.928 246 K CB -0.279 32.104 32.500 -0.195 0.000 0.716 246 K HN 0.400 nan 8.250 nan 0.000 0.446 247 S N 0.162 115.763 115.700 -0.166 0.000 2.377 247 S HA -0.001 4.472 4.470 0.005 0.000 0.223 247 S C 1.837 176.395 174.600 -0.070 0.000 1.030 247 S CA 0.797 58.940 58.200 -0.096 0.000 0.970 247 S CB -0.151 63.014 63.200 -0.058 0.000 0.830 247 S HN 0.353 nan 8.310 nan 0.000 0.473 248 I N 1.235 121.759 120.570 -0.078 0.000 2.315 248 I HA -0.140 4.032 4.170 0.005 0.000 0.248 248 I C 2.548 178.662 176.117 -0.005 0.000 1.117 248 I CA 1.028 62.358 61.300 0.050 0.000 1.404 248 I CB -0.237 37.881 38.000 0.196 0.000 1.071 248 I HN 0.218 nan 8.210 nan 0.000 0.419 249 K N 0.892 121.124 120.400 -0.280 0.000 2.063 249 K HA -0.197 4.126 4.320 0.005 0.000 0.208 249 K C 2.260 178.794 176.600 -0.109 0.000 1.048 249 K CA 1.701 57.831 56.287 -0.262 0.000 0.928 249 K CB -0.265 31.963 32.500 -0.455 0.000 0.713 249 K HN 0.339 nan 8.250 nan 0.000 0.442 250 A N 1.247 124.001 122.820 -0.110 0.000 1.898 250 A HA -0.059 4.264 4.320 0.005 0.000 0.216 250 A C 2.315 179.870 177.584 -0.048 0.000 1.181 250 A CA 1.697 53.690 52.037 -0.075 0.000 0.620 250 A CB -0.497 18.461 19.000 -0.070 0.000 0.819 250 A HN 0.339 nan 8.150 nan 0.000 0.442 251 A N 0.017 122.823 122.820 -0.023 0.000 2.015 251 A HA 0.028 4.350 4.320 0.005 0.000 0.219 251 A C 2.008 179.566 177.584 -0.044 0.000 1.163 251 A CA 1.855 53.889 52.037 -0.005 0.000 0.646 251 A CB -0.522 18.509 19.000 0.051 0.000 0.806 251 A HN 1.034 nan 8.150 nan 0.000 0.448 252 S N -0.535 115.123 115.700 -0.069 0.000 2.588 252 S HA 0.148 4.621 4.470 0.005 0.000 0.245 252 S C 1.058 175.569 174.600 -0.149 0.000 1.021 252 S CA 0.462 58.562 58.200 -0.168 0.000 1.006 252 S CB -0.331 62.678 63.200 -0.318 0.000 0.830 252 S HN 0.648 nan 8.310 nan 0.000 0.468 253 S N 1.303 116.938 115.700 -0.108 0.000 2.547 253 S HA -0.126 4.347 4.470 0.005 0.000 0.235 253 S C 1.737 176.261 174.600 -0.127 0.000 0.980 253 S CA 1.016 59.148 58.200 -0.113 0.000 0.941 253 S CB -1.318 61.833 63.200 -0.081 0.000 0.763 253 S HN 0.721 nan 8.310 nan 0.000 0.532 254 T N -0.072 114.408 114.554 -0.124 0.000 3.007 254 T HA 0.060 4.413 4.350 0.005 0.000 0.270 254 T C 0.386 175.009 174.700 -0.130 0.000 1.107 254 T CA 0.612 62.649 62.100 -0.104 0.000 1.118 254 T CB -0.347 68.474 68.868 -0.079 0.000 0.889 254 T HN 0.596 nan 8.240 nan 0.000 0.506 255 E N 0.499 120.563 120.200 -0.226 0.000 2.256 255 E HA 0.487 4.840 4.350 0.005 0.000 0.268 255 E C -1.116 175.087 176.600 -0.661 0.000 0.877 255 E CA -0.802 55.388 56.400 -0.350 0.000 0.757 255 E CB 2.405 31.953 29.700 -0.254 0.000 1.183 255 E HN 0.137 nan 8.360 nan 0.000 0.418 256 K N 2.971 123.068 120.400 -0.505 0.000 2.156 256 K HA 0.453 4.776 4.320 0.005 0.000 0.271 256 K C -1.348 174.977 176.600 -0.459 0.000 0.995 256 K CA -0.275 55.761 56.287 -0.418 0.000 0.890 256 K CB 0.698 33.108 32.500 -0.149 0.000 1.073 256 K HN 0.332 nan 8.250 nan 0.000 0.454 257 F N 3.637 123.640 119.950 0.087 0.000 2.522 257 F HA 0.398 4.928 4.527 0.005 0.000 0.324 257 F C -1.703 174.125 175.800 0.047 0.000 1.077 257 F CA -2.611 55.345 58.000 -0.073 0.000 0.944 257 F CB 1.389 40.166 39.000 -0.373 0.000 1.175 257 F HN 0.419 nan 8.300 nan 0.000 0.468 258 P HA 0.010 nan 4.420 nan 0.000 0.265 258 P C -0.067 177.381 177.300 0.247 0.000 1.187 258 P CA 0.212 63.408 63.100 0.160 0.000 0.766 258 P CB 0.639 32.394 31.700 0.091 0.000 0.820 259 D N 1.878 122.434 120.400 0.259 0.000 2.228 259 D HA -0.115 4.527 4.640 0.005 0.000 0.203 259 D C 2.082 178.565 176.300 0.305 0.000 0.988 259 D CA 1.756 55.957 54.000 0.335 0.000 0.864 259 D CB -0.571 40.361 40.800 0.221 0.000 0.928 259 D HN 0.568 nan 8.370 nan 0.000 0.469 260 G N -0.546 108.374 108.800 0.201 0.000 2.534 260 G HA2 -0.208 3.755 3.960 0.005 0.000 0.217 260 G HA3 -0.208 3.755 3.960 0.005 0.000 0.217 260 G C 1.323 176.304 174.900 0.135 0.000 1.128 260 G CA -0.035 45.160 45.100 0.157 0.000 0.784 260 G HN 0.266 nan 8.290 nan 0.000 0.542 261 F N 0.608 120.506 119.950 -0.086 0.000 2.146 261 F HA -0.009 4.521 4.527 0.005 0.000 0.298 261 F C 2.042 177.705 175.800 -0.229 0.000 1.096 261 F CA 0.984 58.824 58.000 -0.267 0.000 1.275 261 F CB -0.263 38.402 39.000 -0.559 0.000 1.008 261 F HN 0.235 nan 8.300 nan 0.000 0.480 262 W N -0.247 120.974 121.300 -0.132 0.000 2.525 262 W HA -0.020 4.643 4.660 0.005 0.000 0.259 262 W C 1.306 177.919 176.519 0.156 0.000 1.253 262 W CA -0.100 57.087 57.345 -0.264 0.000 1.262 262 W CB -0.353 29.023 29.460 -0.141 0.000 1.122 262 W HN -0.011 nan 8.180 nan 0.000 0.607 263 L N 0.103 121.504 121.223 0.297 0.000 2.607 263 L HA 0.363 4.706 4.340 0.005 0.000 0.228 263 L C 1.748 178.713 176.870 0.159 0.000 1.123 263 L CA 0.817 55.817 54.840 0.268 0.000 0.890 263 L CB -0.602 41.579 42.059 0.204 0.000 1.103 263 L HN 0.126 nan 8.230 nan 0.000 0.468 264 G N -0.084 108.777 108.800 0.101 0.000 2.198 264 G HA2 -0.295 3.668 3.960 0.005 0.000 0.257 264 G HA3 -0.295 3.668 3.960 0.005 0.000 0.257 264 G C 0.824 175.754 174.900 0.049 0.000 1.042 264 G CA 0.600 45.732 45.100 0.053 0.000 0.791 264 G HN 0.469 nan 8.290 nan 0.000 0.502 265 E N -0.965 119.270 120.200 0.058 0.000 2.465 265 E HA 0.135 4.488 4.350 0.005 0.000 0.209 265 E C 0.956 177.592 176.600 0.059 0.000 0.951 265 E CA 0.278 56.713 56.400 0.058 0.000 0.997 265 E CB 0.491 30.231 29.700 0.067 0.000 1.025 265 E HN 0.692 nan 8.360 nan 0.000 0.500 266 Q N 0.623 120.471 119.800 0.080 0.000 2.423 266 Q HA 0.416 4.759 4.340 0.005 0.000 0.278 266 Q C -1.296 174.787 176.000 0.139 0.000 1.097 266 Q CA -0.929 54.925 55.803 0.084 0.000 0.809 266 Q CB 2.335 31.121 28.738 0.080 0.000 1.391 266 Q HN -0.060 nan 8.270 nan 0.000 0.428 267 L N 0.808 122.065 121.223 0.056 0.000 2.375 267 L HA 0.576 4.918 4.340 0.005 0.000 0.268 267 L C -0.612 176.166 176.870 -0.153 0.000 1.058 267 L CA -0.532 54.323 54.840 0.025 0.000 0.803 267 L CB 1.693 43.732 42.059 -0.035 0.000 1.212 267 L HN 0.423 nan 8.230 nan 0.000 0.451 268 V N 1.628 121.355 119.914 -0.311 0.000 2.540 268 V HA 0.581 4.703 4.120 0.005 0.000 0.302 268 V C -1.088 174.612 176.094 -0.658 0.000 1.035 268 V CA -0.330 61.549 62.300 -0.701 0.000 0.873 268 V CB 1.571 32.556 31.823 -1.397 0.000 0.992 268 V HN 0.886 nan 8.190 nan 0.000 0.428 269 c N 6.533 124.712 118.600 -0.702 0.000 2.507 269 c HA 0.714 5.287 4.570 0.005 0.000 0.319 269 c C -0.717 173.015 174.090 -0.597 0.000 1.208 269 c CA -1.061 54.979 56.329 -0.482 0.000 1.619 269 c CB 1.223 43.573 42.510 -0.266 0.000 2.230 269 c HN 0.889 nan 8.230 nan 0.000 0.492 270 W N 0.987 122.274 121.300 -0.022 0.000 2.864 270 W HA 0.406 5.068 4.660 0.005 0.000 0.343 270 W C -0.068 176.441 176.519 -0.017 0.000 1.109 270 W CA -0.555 56.783 57.345 -0.011 0.000 1.192 270 W CB 1.060 30.516 29.460 -0.006 0.000 1.426 270 W HN 0.680 nan 8.180 nan 0.000 0.529 271 Q N 1.922 121.855 119.800 0.222 0.000 2.239 271 Q HA 0.255 4.598 4.340 0.005 0.000 0.286 271 Q C 0.153 176.224 176.000 0.118 0.000 1.102 271 Q CA 0.151 56.027 55.803 0.122 0.000 0.936 271 Q CB 0.610 29.406 28.738 0.096 0.000 1.127 271 Q HN 0.435 nan 8.270 nan 0.000 0.380 272 A N 3.598 126.466 122.820 0.080 0.000 2.520 272 A HA 0.350 4.672 4.320 0.005 0.000 0.245 272 A C 0.693 178.311 177.584 0.056 0.000 1.072 272 A CA 0.502 52.579 52.037 0.068 0.000 0.761 272 A CB 0.309 19.331 19.000 0.038 0.000 1.004 272 A HN 0.880 nan 8.150 nan 0.000 0.499 273 G N 1.786 110.620 108.800 0.058 0.000 4.912 273 G HA2 0.505 4.468 3.960 0.005 0.000 0.307 273 G HA3 0.505 4.468 3.960 0.005 0.000 0.307 273 G C -0.341 174.603 174.900 0.073 0.000 1.381 273 G CA 0.152 45.297 45.100 0.075 0.000 1.057 273 G HN 0.931 nan 8.290 nan 0.000 0.593 274 T N -0.558 114.024 114.554 0.047 0.000 3.705 274 T HA 0.492 4.844 4.350 0.005 0.000 0.342 274 T C -0.551 174.100 174.700 -0.082 0.000 1.043 274 T CA -0.527 61.558 62.100 -0.026 0.000 1.071 274 T CB 1.360 70.230 68.868 0.004 0.000 1.124 274 T HN 0.442 nan 8.240 nan 0.000 0.467 275 T N 3.404 117.767 114.554 -0.318 0.000 2.922 275 T HA -0.027 4.326 4.350 0.005 0.000 0.465 275 T C -3.027 171.217 174.700 -0.760 0.000 0.792 275 T CA -0.915 60.782 62.100 -0.671 0.000 2.453 275 T CB -0.755 67.870 68.868 -0.404 0.000 1.736 275 T HN 0.573 nan 8.240 nan 0.000 0.673 276 P HA 0.371 nan 4.420 nan 0.000 0.219 276 P C 0.477 177.614 177.300 -0.272 0.000 1.847 276 P CA -0.512 62.291 63.100 -0.495 0.000 1.059 276 P CB -0.219 31.217 31.700 -0.440 0.000 1.900 277 W N 1.792 123.039 121.300 -0.088 0.000 2.374 277 W HA -0.195 4.468 4.660 0.005 0.000 0.288 277 W C 2.151 178.752 176.519 0.138 0.000 1.218 277 W CA 0.797 58.154 57.345 0.020 0.000 1.245 277 W CB -0.648 28.788 29.460 -0.039 0.000 1.126 277 W HN 0.260 nan 8.180 nan 0.000 0.545 278 N N 2.042 120.916 118.700 0.289 0.000 2.223 278 N HA -0.187 4.556 4.740 0.005 0.000 0.185 278 N C 1.439 177.028 175.510 0.133 0.000 1.016 278 N CA 2.011 55.179 53.050 0.197 0.000 0.863 278 N CB -1.405 37.151 38.487 0.115 0.000 0.983 278 N HN 0.422 nan 8.380 nan 0.000 0.429 279 I N -3.546 117.058 120.570 0.057 0.000 2.830 279 I HA 0.145 4.318 4.170 0.005 0.000 0.263 279 I C -0.087 175.964 176.117 -0.111 0.000 1.230 279 I CA 0.141 61.393 61.300 -0.080 0.000 1.480 279 I CB -0.474 37.401 38.000 -0.208 0.000 1.095 279 I HN -0.243 nan 8.210 nan 0.000 0.455 280 F N 4.013 124.082 119.950 0.199 0.000 2.404 280 F HA 0.494 5.024 4.527 0.005 0.000 0.345 280 F C -1.941 174.031 175.800 0.287 0.000 1.110 280 F CA -2.590 55.590 58.000 0.301 0.000 1.130 280 F CB 0.450 39.647 39.000 0.330 0.000 1.129 280 F HN -0.127 nan 8.300 nan 0.000 0.500 281 P HA 0.204 nan 4.420 nan 0.000 0.276 281 P C -0.839 176.684 177.300 0.372 0.000 1.252 281 P CA -0.351 62.945 63.100 0.327 0.000 0.802 281 P CB 1.464 33.309 31.700 0.240 0.000 1.035 282 V N -1.031 119.029 119.914 0.244 0.000 2.686 282 V HA 0.486 4.609 4.120 0.005 0.000 0.295 282 V C 0.127 176.316 176.094 0.159 0.000 1.057 282 V CA -0.588 61.841 62.300 0.215 0.000 1.012 282 V CB 0.409 32.313 31.823 0.135 0.000 1.006 282 V HN 0.272 nan 8.190 nan 0.000 0.477 283 I N 3.320 123.977 120.570 0.145 0.000 2.355 283 I HA 0.397 4.570 4.170 0.005 0.000 0.288 283 I C 0.131 176.239 176.117 -0.015 0.000 0.999 283 I CA -0.049 61.278 61.300 0.044 0.000 1.163 283 I CB 1.734 39.733 38.000 -0.003 0.000 1.316 283 I HN 0.670 nan 8.210 nan 0.000 0.454 284 S N 7.352 123.009 115.700 -0.071 0.000 2.442 284 S HA 0.596 5.069 4.470 0.005 0.000 0.297 284 S C -0.305 174.148 174.600 -0.245 0.000 1.131 284 S CA -0.561 57.523 58.200 -0.193 0.000 1.092 284 S CB 0.863 63.923 63.200 -0.232 0.000 0.998 284 S HN 0.359 nan 8.310 nan 0.000 0.478 285 L N 4.037 125.043 121.223 -0.361 0.000 2.298 285 L HA 0.460 4.803 4.340 0.005 0.000 0.284 285 L C -1.216 175.330 176.870 -0.540 0.000 1.013 285 L CA -0.762 53.853 54.840 -0.376 0.000 0.824 285 L CB 0.566 42.409 42.059 -0.361 0.000 1.221 285 L HN 0.599 nan 8.230 nan 0.000 0.418 286 Y N 4.123 124.129 120.300 -0.491 0.000 2.336 286 Y HA 0.470 5.022 4.550 0.005 0.000 0.335 286 Y C 0.092 175.672 175.900 -0.532 0.000 1.046 286 Y CA -0.260 57.517 58.100 -0.538 0.000 1.198 286 Y CB 0.868 39.056 38.460 -0.453 0.000 1.182 286 Y HN 0.376 nan 8.280 nan 0.000 0.502 287 L N 4.215 125.045 121.223 -0.654 0.000 2.334 287 L HA 0.467 4.810 4.340 0.005 0.000 0.273 287 L C 0.121 176.781 176.870 -0.349 0.000 1.013 287 L CA -1.071 53.429 54.840 -0.566 0.000 0.816 287 L CB 1.610 43.179 42.059 -0.817 0.000 1.278 287 L HN 0.616 nan 8.230 nan 0.000 0.431 288 M N 1.764 121.311 119.600 -0.089 0.000 2.261 288 M HA 0.123 4.606 4.480 0.005 0.000 0.350 288 M C 0.505 176.928 176.300 0.205 0.000 1.343 288 M CA 0.438 55.775 55.300 0.061 0.000 1.003 288 M CB 0.445 33.097 32.600 0.087 0.000 1.848 288 M HN 0.751 nan 8.290 nan 0.000 0.456 289 G N 3.667 112.636 108.800 0.281 0.000 2.543 289 G HA2 0.210 4.172 3.960 0.005 0.000 0.290 289 G HA3 0.210 4.172 3.960 0.005 0.000 0.290 289 G C 0.073 175.147 174.900 0.291 0.000 1.310 289 G CA -0.416 44.944 45.100 0.433 0.000 1.025 289 G HN 0.898 nan 8.290 nan 0.000 0.502 290 E N -1.656 118.702 120.200 0.264 0.000 2.216 290 E HA 0.014 4.366 4.350 0.005 0.000 0.192 290 E C 0.478 177.151 176.600 0.121 0.000 0.988 290 E CA 0.287 56.783 56.400 0.160 0.000 0.834 290 E CB 0.256 30.020 29.700 0.107 0.000 0.772 290 E HN 0.086 nan 8.360 nan 0.000 0.479 291 V N 1.743 121.741 119.914 0.140 0.000 2.612 291 V HA 0.084 4.207 4.120 0.005 0.000 0.301 291 V C 0.313 176.472 176.094 0.107 0.000 1.046 291 V CA -0.667 61.697 62.300 0.107 0.000 0.946 291 V CB 1.748 33.634 31.823 0.105 0.000 1.003 291 V HN 0.056 nan 8.190 nan 0.000 0.459 292 T N 4.916 119.518 114.554 0.080 0.000 2.891 292 T HA -0.002 4.351 4.350 0.005 0.000 0.296 292 T C 0.945 175.691 174.700 0.077 0.000 1.025 292 T CA 0.580 62.722 62.100 0.071 0.000 1.149 292 T CB -0.342 68.557 68.868 0.052 0.000 1.007 292 T HN 0.851 nan 8.240 nan 0.000 0.528 293 N N 0.527 119.273 118.700 0.077 0.000 2.778 293 N HA -0.153 4.590 4.740 0.005 0.000 0.249 293 N C -0.100 175.472 175.510 0.104 0.000 1.069 293 N CA 0.976 54.072 53.050 0.077 0.000 0.831 293 N CB -0.536 37.987 38.487 0.061 0.000 1.142 293 N HN 0.760 nan 8.380 nan 0.000 0.573 294 Q N 1.086 120.967 119.800 0.134 0.000 2.316 294 Q HA 0.561 4.904 4.340 0.005 0.000 0.264 294 Q C -0.462 175.675 176.000 0.229 0.000 0.987 294 Q CA -0.190 55.725 55.803 0.186 0.000 0.852 294 Q CB 1.664 30.525 28.738 0.205 0.000 1.287 294 Q HN 0.311 nan 8.270 nan 0.000 0.448 295 S N 2.765 118.624 115.700 0.264 0.000 2.704 295 S HA 0.881 5.354 4.470 0.005 0.000 0.296 295 S C -0.709 174.102 174.600 0.353 0.000 1.138 295 S CA -0.674 57.682 58.200 0.260 0.000 0.875 295 S CB 1.342 64.631 63.200 0.148 0.000 1.151 295 S HN 0.553 nan 8.310 nan 0.000 0.500 296 F N -1.280 118.699 119.950 0.048 0.000 2.643 296 F HA 0.871 5.401 4.527 0.005 0.000 0.314 296 F C -0.737 174.854 175.800 -0.349 0.000 1.096 296 F CA -1.262 56.632 58.000 -0.177 0.000 0.953 296 F CB 1.366 40.079 39.000 -0.479 0.000 1.345 296 F HN 0.950 nan 8.300 nan 0.000 0.468 297 R N 2.101 122.317 120.500 -0.473 0.000 2.670 297 R HA 0.838 5.180 4.340 0.005 0.000 0.289 297 R C -1.517 174.478 176.300 -0.508 0.000 0.965 297 R CA -0.920 54.667 56.100 -0.854 0.000 0.899 297 R CB 2.288 31.687 30.300 -1.501 0.000 1.173 297 R HN 0.954 nan 8.270 nan 0.000 0.456 298 I N -0.474 119.746 120.570 -0.582 0.000 2.378 298 I HA 0.441 4.614 4.170 0.005 0.000 0.291 298 I C -0.928 175.066 176.117 -0.204 0.000 0.992 298 I CA -0.710 60.317 61.300 -0.455 0.000 1.154 298 I CB 2.331 39.748 38.000 -0.972 0.000 1.315 298 I HN 0.485 nan 8.210 nan 0.000 0.448 299 T N 7.839 122.420 114.554 0.045 0.000 2.758 299 T HA 0.570 4.923 4.350 0.005 0.000 0.285 299 T C -0.015 174.798 174.700 0.189 0.000 0.981 299 T CA -0.368 61.770 62.100 0.063 0.000 0.965 299 T CB 0.959 69.834 68.868 0.012 0.000 0.927 299 T HN 0.647 nan 8.240 nan 0.000 0.448 300 I N 1.597 122.261 120.570 0.158 0.000 2.437 300 I HA 0.640 4.813 4.170 0.005 0.000 0.298 300 I C -0.610 175.590 176.117 0.138 0.000 0.984 300 I CA -1.082 60.300 61.300 0.137 0.000 1.214 300 I CB 0.884 38.998 38.000 0.190 0.000 1.365 300 I HN 0.424 nan 8.210 nan 0.000 0.469 301 L N 5.825 127.082 121.223 0.058 0.000 2.421 301 L HA 0.409 4.752 4.340 0.005 0.000 0.263 301 L C -1.464 175.363 176.870 -0.072 0.000 1.122 301 L CA -1.606 53.243 54.840 0.016 0.000 0.804 301 L CB 0.676 42.690 42.059 -0.074 0.000 1.150 301 L HN 0.435 nan 8.230 nan 0.000 0.457 302 P HA -0.186 nan 4.420 nan 0.000 0.220 302 P C 0.868 177.806 177.300 -0.602 0.000 1.144 302 P CA 1.058 63.834 63.100 -0.541 0.000 0.800 302 P CB 0.193 31.911 31.700 0.029 0.000 0.772 303 Q N -1.438 118.025 119.800 -0.561 0.000 2.369 303 Q HA -0.110 4.232 4.340 0.005 0.000 0.206 303 Q C 2.074 177.918 176.000 -0.259 0.000 0.963 303 Q CA 1.103 56.559 55.803 -0.579 0.000 0.894 303 Q CB -0.426 27.888 28.738 -0.707 0.000 0.965 303 Q HN 0.255 nan 8.270 nan 0.000 0.475 304 Q N -1.349 118.336 119.800 -0.192 0.000 2.163 304 Q HA -0.068 4.275 4.340 0.005 0.000 0.198 304 Q C 1.003 177.023 176.000 0.033 0.000 0.954 304 Q CA 1.057 56.836 55.803 -0.040 0.000 0.851 304 Q CB 0.124 28.880 28.738 0.031 0.000 0.928 304 Q HN 0.702 nan 8.270 nan 0.000 0.459 305 Y N -2.947 117.362 120.300 0.014 0.000 2.458 305 Y HA 0.456 5.009 4.550 0.005 0.000 0.256 305 Y C -0.224 175.677 175.900 0.002 0.000 1.159 305 Y CA -0.613 57.469 58.100 -0.029 0.000 1.261 305 Y CB 0.338 38.760 38.460 -0.063 0.000 1.119 305 Y HN -0.152 nan 8.280 nan 0.000 0.524 306 L N 4.521 125.682 121.223 -0.103 0.000 2.335 306 L HA 0.400 4.742 4.340 0.005 0.000 0.268 306 L C -0.260 176.736 176.870 0.211 0.000 1.037 306 L CA -0.999 53.867 54.840 0.044 0.000 0.895 306 L CB 0.659 42.599 42.059 -0.197 0.000 1.266 306 L HN 0.265 nan 8.230 nan 0.000 0.439 307 R N 2.763 123.402 120.500 0.231 0.000 2.297 307 R HA 0.609 4.952 4.340 0.005 0.000 0.308 307 R C -2.602 173.861 176.300 0.271 0.000 1.029 307 R CA -1.905 54.333 56.100 0.229 0.000 0.929 307 R CB 0.222 30.596 30.300 0.123 0.000 1.046 307 R HN 0.182 nan 8.270 nan 0.000 0.461 308 P HA -0.149 nan 4.420 nan 0.000 0.261 308 P C 0.084 177.379 177.300 -0.007 0.000 1.183 308 P CA -0.127 62.976 63.100 0.005 0.000 0.761 308 P CB 0.583 32.288 31.700 0.009 0.000 0.785 309 V N 4.686 124.564 119.914 -0.059 0.000 2.509 309 V HA -0.112 4.011 4.120 0.005 0.000 0.297 309 V C 1.307 177.387 176.094 -0.024 0.000 1.014 309 V CA 0.571 62.855 62.300 -0.027 0.000 1.127 309 V CB -0.250 31.547 31.823 -0.044 0.000 0.925 309 V HN 0.560 nan 8.190 nan 0.000 0.480 310 E N 4.027 124.223 120.200 -0.006 0.000 2.037 310 E HA -0.189 4.164 4.350 0.005 0.000 0.214 310 E C 0.529 177.118 176.600 -0.018 0.000 1.041 310 E CA 2.027 58.421 56.400 -0.009 0.000 0.872 310 E CB -0.025 29.673 29.700 -0.003 0.000 0.785 310 E HN 0.830 nan 8.360 nan 0.000 0.476 311 D N -0.001 120.387 120.400 -0.019 0.000 2.485 311 D HA 0.139 4.782 4.640 0.005 0.000 0.229 311 D C -1.151 175.134 176.300 -0.026 0.000 1.101 311 D CA -0.226 53.761 54.000 -0.023 0.000 0.906 311 D CB 1.149 41.936 40.800 -0.022 0.000 1.019 311 D HN -0.032 nan 8.370 nan 0.000 0.516 312 V N 1.430 121.325 119.914 -0.031 0.000 2.412 312 V HA 0.509 4.631 4.120 0.005 0.000 0.270 312 V C 1.200 177.275 176.094 -0.032 0.000 1.169 312 V CA -0.787 61.492 62.300 -0.036 0.000 1.319 312 V CB 0.371 32.164 31.823 -0.050 0.000 1.467 312 V HN 0.388 nan 8.190 nan 0.000 0.535 313 A N 1.956 124.760 122.820 -0.027 0.000 2.268 313 A HA 0.484 4.807 4.320 0.005 0.000 0.221 313 A C 0.928 178.498 177.584 -0.023 0.000 1.287 313 A CA 0.818 52.841 52.037 -0.024 0.000 0.902 313 A CB -0.734 18.254 19.000 -0.021 0.000 0.877 313 A HN 1.136 nan 8.150 nan 0.000 0.487 314 T N -3.252 111.287 114.554 -0.026 0.000 4.227 314 T HA 0.431 4.783 4.350 0.005 0.000 0.299 314 T C -0.609 174.072 174.700 -0.031 0.000 0.686 314 T CA 0.222 62.306 62.100 -0.025 0.000 0.900 314 T CB -0.463 68.392 68.868 -0.021 0.000 1.229 314 T HN 1.407 nan 8.240 nan 0.000 0.466 315 S N 1.682 117.361 115.700 -0.035 0.000 2.870 315 S HA 0.007 4.480 4.470 0.005 0.000 0.646 315 S C 0.445 175.013 174.600 -0.052 0.000 0.641 315 S CA 0.422 58.595 58.200 -0.045 0.000 1.546 315 S CB -0.614 62.555 63.200 -0.051 0.000 1.087 315 S HN 1.060 nan 8.310 nan 0.000 0.684 316 Q N 3.626 123.396 119.800 -0.049 0.000 2.010 316 Q HA 0.439 4.782 4.340 0.005 0.000 0.215 316 Q C 1.093 177.055 176.000 -0.064 0.000 0.984 316 Q CA 0.934 56.707 55.803 -0.050 0.000 0.853 316 Q CB -0.898 27.819 28.738 -0.035 0.000 0.922 316 Q HN 0.578 nan 8.270 nan 0.000 0.478 317 D N 0.004 120.373 120.400 -0.053 0.000 3.783 317 D HA -0.242 4.401 4.640 0.005 0.000 0.175 317 D C 0.650 176.908 176.300 -0.070 0.000 0.848 317 D CA 1.889 55.859 54.000 -0.049 0.000 0.796 317 D CB -0.516 40.254 40.800 -0.051 0.000 0.399 317 D HN 0.391 nan 8.370 nan 0.000 0.328 318 D N -1.470 118.877 120.400 -0.088 0.000 2.805 318 D HA 0.179 4.822 4.640 0.005 0.000 0.271 318 D C 0.152 176.197 176.300 -0.425 0.000 1.166 318 D CA 1.110 55.005 54.000 -0.176 0.000 1.004 318 D CB -0.239 40.549 40.800 -0.021 0.000 1.136 318 D HN 0.623 nan 8.370 nan 0.000 0.444 319 c N 0.098 118.458 118.600 -0.401 0.000 0.168 319 c HA -0.196 4.376 4.570 0.005 0.000 0.017 319 c C -0.828 172.880 174.090 -0.637 0.000 0.171 319 c CA -0.498 55.593 56.329 -0.396 0.000 0.501 319 c CB -2.056 40.311 42.510 -0.238 0.000 3.212 319 c HN 0.360 nan 8.230 nan 0.000 1.118 320 Y N 0.762 121.034 120.300 -0.046 0.000 2.588 320 Y HA 0.697 5.249 4.550 0.005 0.000 0.343 320 Y C 0.028 176.000 175.900 0.119 0.000 1.065 320 Y CA -0.908 57.218 58.100 0.043 0.000 1.038 320 Y CB 1.411 39.910 38.460 0.065 0.000 1.297 320 Y HN 0.703 nan 8.280 nan 0.000 0.467 321 K N 2.112 122.698 120.400 0.309 0.000 2.270 321 K HA 0.407 4.730 4.320 0.005 0.000 0.255 321 K C -1.619 175.102 176.600 0.202 0.000 0.936 321 K CA -0.660 55.757 56.287 0.218 0.000 0.809 321 K CB 1.101 33.669 32.500 0.114 0.000 1.131 321 K HN 0.705 nan 8.250 nan 0.000 0.427 322 F N 3.333 123.162 119.950 -0.203 0.000 2.466 322 F HA 0.240 4.770 4.527 0.005 0.000 0.363 322 F C 0.474 176.260 175.800 -0.023 0.000 1.109 322 F CA -0.034 57.816 58.000 -0.250 0.000 1.161 322 F CB 0.861 39.384 39.000 -0.795 0.000 1.117 322 F HN 0.703 nan 8.300 nan 0.000 0.539 323 A N 7.505 130.136 122.820 -0.314 0.000 2.460 323 A HA 0.354 4.676 4.320 0.005 0.000 0.258 323 A C 0.123 177.532 177.584 -0.292 0.000 1.300 323 A CA -0.224 51.696 52.037 -0.195 0.000 0.913 323 A CB -0.675 18.305 19.000 -0.034 0.000 1.031 323 A HN 0.661 nan 8.150 nan 0.000 0.512 324 I N 1.574 121.736 120.570 -0.679 0.000 2.339 324 I HA 0.352 4.525 4.170 0.005 0.000 0.290 324 I C 0.158 176.280 176.117 0.008 0.000 0.994 324 I CA -0.276 60.807 61.300 -0.362 0.000 1.191 324 I CB 1.946 39.682 38.000 -0.439 0.000 1.343 324 I HN 0.280 nan 8.210 nan 0.000 0.458 325 S N 4.588 120.314 115.700 0.043 0.000 2.632 325 S HA 0.584 5.057 4.470 0.005 0.000 0.289 325 S C -0.885 173.476 174.600 -0.398 0.000 1.115 325 S CA -1.057 57.063 58.200 -0.133 0.000 0.889 325 S CB 1.720 64.848 63.200 -0.119 0.000 1.116 325 S HN 0.602 nan 8.310 nan 0.000 0.486 326 Q N 0.481 119.753 119.800 -0.881 0.000 2.259 326 Q HA 0.706 5.049 4.340 0.005 0.000 0.246 326 Q C -0.423 175.415 176.000 -0.271 0.000 0.920 326 Q CA -0.647 54.764 55.803 -0.654 0.000 0.895 326 Q CB 1.174 29.422 28.738 -0.816 0.000 1.220 326 Q HN 0.577 nan 8.270 nan 0.000 0.439 327 S N 0.285 115.898 115.700 -0.144 0.000 2.568 327 S HA 0.388 4.861 4.470 0.005 0.000 0.293 327 S C -0.020 174.537 174.600 -0.073 0.000 1.089 327 S CA -0.290 57.852 58.200 -0.096 0.000 0.945 327 S CB 1.659 64.813 63.200 -0.077 0.000 1.077 327 S HN 0.727 nan 8.310 nan 0.000 0.485 328 S N 0.932 116.586 115.700 -0.076 0.000 2.539 328 S HA 0.112 4.585 4.470 0.005 0.000 0.221 328 S C 0.869 175.389 174.600 -0.134 0.000 0.987 328 S CA 0.443 58.596 58.200 -0.078 0.000 0.929 328 S CB -0.149 63.022 63.200 -0.049 0.000 0.832 328 S HN 0.868 nan 8.310 nan 0.000 0.492 329 T N -1.626 112.847 114.554 -0.135 0.000 3.228 329 T HA 0.618 4.971 4.350 0.005 0.000 0.278 329 T C 0.868 175.457 174.700 -0.184 0.000 1.014 329 T CA 0.064 62.066 62.100 -0.164 0.000 0.904 329 T CB 0.054 68.845 68.868 -0.129 0.000 1.110 329 T HN 1.188 nan 8.240 nan 0.000 0.541 330 G N 1.173 109.871 108.800 -0.170 0.000 2.655 330 G HA2 -0.023 3.939 3.960 0.005 0.000 0.680 330 G HA3 -0.023 3.939 3.960 0.005 0.000 0.680 330 G C -0.475 174.386 174.900 -0.065 0.000 1.302 330 G CA -0.693 44.336 45.100 -0.119 0.000 0.872 330 G HN 0.466 nan 8.290 nan 0.000 0.540 331 T N 0.157 114.699 114.554 -0.019 0.000 2.870 331 T HA 0.460 4.813 4.350 0.005 0.000 0.300 331 T C 0.443 175.125 174.700 -0.030 0.000 0.989 331 T CA 0.227 62.326 62.100 -0.002 0.000 1.139 331 T CB 1.252 70.138 68.868 0.030 0.000 0.920 331 T HN 1.186 nan 8.240 nan 0.000 0.537 332 V N 5.117 125.016 119.914 -0.025 0.000 2.376 332 V HA 0.305 4.428 4.120 0.005 0.000 0.287 332 V C 0.050 176.150 176.094 0.011 0.000 1.015 332 V CA -0.724 61.562 62.300 -0.023 0.000 0.834 332 V CB 1.275 33.072 31.823 -0.044 0.000 1.001 332 V HN 0.905 nan 8.190 nan 0.000 0.428 333 M N 4.613 124.235 119.600 0.037 0.000 2.497 333 M HA 0.378 4.861 4.480 0.005 0.000 0.336 333 M C 1.014 177.370 176.300 0.093 0.000 1.378 333 M CA 0.200 55.540 55.300 0.066 0.000 1.375 333 M CB 0.428 33.079 32.600 0.085 0.000 1.337 333 M HN 0.817 nan 8.290 nan 0.000 0.461 334 G N 0.887 109.733 108.800 0.076 0.000 2.630 334 G HA2 0.491 4.454 3.960 0.005 0.000 0.223 334 G HA3 0.491 4.454 3.960 0.005 0.000 0.223 334 G C 0.904 175.867 174.900 0.106 0.000 1.434 334 G CA 0.076 45.226 45.100 0.082 0.000 1.057 334 G HN 0.666 nan 8.290 nan 0.000 0.570 335 A N -1.418 121.467 122.820 0.108 0.000 2.019 335 A HA 0.040 4.363 4.320 0.005 0.000 0.219 335 A C 2.509 180.161 177.584 0.115 0.000 1.164 335 A CA 1.851 53.965 52.037 0.129 0.000 0.644 335 A CB -0.658 18.449 19.000 0.179 0.000 0.805 335 A HN 0.432 nan 8.150 nan 0.000 0.449 336 V N 0.461 120.434 119.914 0.099 0.000 2.287 336 V HA -0.281 3.842 4.120 0.005 0.000 0.248 336 V C 2.416 178.581 176.094 0.118 0.000 1.053 336 V CA 1.995 64.352 62.300 0.095 0.000 1.027 336 V CB -0.588 31.283 31.823 0.080 0.000 0.646 336 V HN 0.538 nan 8.190 nan 0.000 0.447 337 I N -0.868 119.791 120.570 0.149 0.000 2.235 337 I HA -0.151 4.022 4.170 0.005 0.000 0.241 337 I C 2.412 178.718 176.117 0.316 0.000 1.085 337 I CA 1.730 63.178 61.300 0.247 0.000 1.378 337 I CB -1.036 37.091 38.000 0.211 0.000 1.076 337 I HN 0.287 nan 8.210 nan 0.000 0.415 338 M N 0.124 119.863 119.600 0.233 0.000 2.279 338 M HA -0.180 4.303 4.480 0.005 0.000 0.264 338 M C 1.910 178.280 176.300 0.117 0.000 1.062 338 M CA 1.482 56.903 55.300 0.201 0.000 1.099 338 M CB -0.434 32.239 32.600 0.121 0.000 1.394 338 M HN 0.220 nan 8.290 nan 0.000 0.426 339 E N -0.134 120.112 120.200 0.077 0.000 2.347 339 E HA -0.073 4.279 4.350 0.005 0.000 0.196 339 E C 1.966 178.555 176.600 -0.019 0.000 1.008 339 E CA 0.729 57.152 56.400 0.037 0.000 0.852 339 E CB -0.075 29.666 29.700 0.068 0.000 0.783 339 E HN 0.596 nan 8.360 nan 0.000 0.505 340 G N -0.096 108.631 108.800 -0.121 0.000 2.777 340 G HA2 0.033 3.996 3.960 0.005 0.000 0.211 340 G HA3 0.033 3.996 3.960 0.005 0.000 0.211 340 G C 0.086 174.512 174.900 -0.791 0.000 1.149 340 G CA 0.004 44.816 45.100 -0.480 0.000 0.785 340 G HN -0.017 nan 8.290 nan 0.000 0.536 341 F N -1.842 118.152 119.950 0.074 0.000 2.588 341 F HA 0.418 4.947 4.527 0.005 0.000 0.310 341 F C -0.903 174.948 175.800 0.085 0.000 1.082 341 F CA -1.971 56.082 58.000 0.089 0.000 0.929 341 F CB 1.470 40.578 39.000 0.181 0.000 1.254 341 F HN -0.063 nan 8.300 nan 0.000 0.455 342 Y N 3.078 123.454 120.300 0.126 0.000 2.486 342 Y HA 0.551 5.103 4.550 0.004 0.000 0.348 342 Y C -0.781 174.998 175.900 -0.202 0.000 1.000 342 Y CA -0.935 57.149 58.100 -0.027 0.000 1.253 342 Y CB 0.410 38.865 38.460 -0.008 0.000 1.140 342 Y HN 0.298 nan 8.280 nan 0.000 0.526 343 V N 7.711 127.272 119.914 -0.590 0.000 2.357 343 V HA 0.311 4.434 4.120 0.005 0.000 0.284 343 V C -0.524 174.952 176.094 -1.030 0.000 1.018 343 V CA -1.015 60.753 62.300 -0.887 0.000 0.841 343 V CB 1.178 32.552 31.823 -0.749 0.000 0.991 343 V HN 0.523 nan 8.190 nan 0.000 0.437 344 V N 5.716 124.968 119.914 -1.104 0.000 2.350 344 V HA 0.395 4.518 4.120 0.005 0.000 0.276 344 V C -0.331 175.226 176.094 -0.895 0.000 1.028 344 V CA -0.259 61.531 62.300 -0.850 0.000 0.860 344 V CB 1.032 32.487 31.823 -0.613 0.000 0.990 344 V HN 0.716 nan 8.190 nan 0.000 0.453 345 F N 2.758 122.186 119.950 -0.870 0.000 2.467 345 F HA 0.277 4.807 4.527 0.004 0.000 0.349 345 F C 0.858 176.307 175.800 -0.585 0.000 1.182 345 F CA -0.630 56.807 58.000 -0.938 0.000 1.279 345 F CB 0.248 38.202 39.000 -1.744 0.000 1.626 345 F HN 0.427 nan 8.300 nan 0.000 0.596 346 D N 2.321 122.603 120.400 -0.197 0.000 2.455 346 D HA 0.066 4.709 4.640 0.005 0.000 0.234 346 D C 1.353 177.674 176.300 0.036 0.000 1.224 346 D CA 0.196 54.154 54.000 -0.070 0.000 0.999 346 D CB 0.330 41.087 40.800 -0.072 0.000 1.072 346 D HN 0.436 nan 8.370 nan 0.000 0.514 347 R N 1.882 122.437 120.500 0.092 0.000 2.148 347 R HA 0.009 4.352 4.340 0.005 0.000 0.223 347 R C 2.055 178.472 176.300 0.195 0.000 1.088 347 R CA 1.045 57.287 56.100 0.237 0.000 0.985 347 R CB 0.087 30.543 30.300 0.259 0.000 0.880 347 R HN 0.335 nan 8.270 nan 0.000 0.451 348 A N 0.972 123.871 122.820 0.132 0.000 2.019 348 A HA -0.099 4.224 4.320 0.005 0.000 0.219 348 A C 1.687 179.304 177.584 0.055 0.000 1.164 348 A CA 1.132 53.228 52.037 0.098 0.000 0.644 348 A CB -0.053 18.995 19.000 0.081 0.000 0.805 348 A HN 0.173 nan 8.150 nan 0.000 0.449 349 R N -1.541 118.975 120.500 0.026 0.000 2.577 349 R HA 0.204 4.547 4.340 0.005 0.000 0.344 349 R C -0.449 175.855 176.300 0.007 0.000 1.037 349 R CA -0.182 55.909 56.100 -0.016 0.000 1.102 349 R CB 0.237 30.478 30.300 -0.098 0.000 1.313 349 R HN 0.354 nan 8.270 nan 0.000 0.561 350 K N 1.573 122.015 120.400 0.069 0.000 3.077 350 K HA -0.234 4.089 4.320 0.005 0.000 0.264 350 K C -0.758 175.907 176.600 0.108 0.000 1.008 350 K CA 1.089 57.437 56.287 0.101 0.000 0.740 350 K CB -0.994 31.540 32.500 0.056 0.000 1.273 350 K HN 0.453 nan 8.250 nan 0.000 0.477 351 R N -0.798 119.763 120.500 0.102 0.000 2.739 351 R HA 0.691 5.034 4.340 0.005 0.000 0.271 351 R C -0.910 175.438 176.300 0.080 0.000 1.010 351 R CA -1.116 55.051 56.100 0.111 0.000 0.897 351 R CB 1.316 31.653 30.300 0.062 0.000 1.236 351 R HN 0.033 nan 8.270 nan 0.000 0.466 352 I N 1.117 121.722 120.570 0.059 0.000 2.436 352 I HA 0.433 4.605 4.170 0.005 0.000 0.289 352 I C 0.056 175.978 176.117 -0.325 0.000 1.010 352 I CA -0.858 60.278 61.300 -0.273 0.000 1.098 352 I CB 2.330 40.078 38.000 -0.421 0.000 1.266 352 I HN 0.873 nan 8.210 nan 0.000 0.434 353 G N 5.481 113.860 108.800 -0.701 0.000 2.348 353 G HA2 0.680 4.643 3.960 0.005 0.000 0.312 353 G HA3 0.680 4.643 3.960 0.005 0.000 0.312 353 G C -1.218 173.061 174.900 -1.035 0.000 1.126 353 G CA -0.207 44.237 45.100 -1.093 0.000 0.865 353 G HN 0.333 nan 8.290 nan 0.000 0.474 354 F N 0.862 120.462 119.950 -0.583 0.000 2.507 354 F HA 0.710 5.241 4.527 0.005 0.000 0.325 354 F C 0.414 176.033 175.800 -0.301 0.000 1.116 354 F CA -0.526 57.232 58.000 -0.403 0.000 0.930 354 F CB 2.752 41.534 39.000 -0.363 0.000 1.146 354 F HN 0.689 nan 8.300 nan 0.000 0.447 355 A N 1.853 124.690 122.820 0.029 0.000 2.520 355 A HA 0.682 5.005 4.320 0.005 0.000 0.298 355 A C -1.275 176.522 177.584 0.356 0.000 1.051 355 A CA -0.833 51.277 52.037 0.122 0.000 0.690 355 A CB 1.062 19.975 19.000 -0.145 0.000 1.281 355 A HN 0.466 nan 8.150 nan 0.000 0.402 356 V N 2.027 122.137 119.914 0.326 0.000 2.539 356 V HA 0.108 4.231 4.120 0.005 0.000 0.300 356 V C 1.316 177.473 176.094 0.105 0.000 1.019 356 V CA 0.758 63.136 62.300 0.130 0.000 1.160 356 V CB 0.808 32.598 31.823 -0.055 0.000 0.901 356 V HN 0.964 nan 8.190 nan 0.000 0.481 357 S N 4.255 119.965 115.700 0.015 0.000 2.562 357 S HA 0.339 4.812 4.470 0.005 0.000 0.281 357 S C 1.308 175.989 174.600 0.135 0.000 1.333 357 S CA -0.113 58.150 58.200 0.106 0.000 1.052 357 S CB 1.205 64.456 63.200 0.086 0.000 0.884 357 S HN 1.005 nan 8.310 nan 0.000 0.506 358 A N 2.812 125.685 122.820 0.088 0.000 2.168 358 A HA 0.014 4.337 4.320 0.005 0.000 0.215 358 A C 1.804 179.441 177.584 0.088 0.000 1.152 358 A CA 1.053 53.132 52.037 0.069 0.000 0.716 358 A CB -1.012 17.977 19.000 -0.018 0.000 0.794 358 A HN 1.206 nan 8.150 nan 0.000 0.465 359 c N -0.880 117.777 118.600 0.094 0.000 3.125 359 c HA 0.371 4.944 4.570 0.005 0.000 0.284 359 c C 0.783 174.909 174.090 0.060 0.000 1.386 359 c CA -0.325 56.037 56.329 0.055 0.000 1.763 359 c CB -1.857 40.671 42.510 0.030 0.000 2.377 359 c HN 0.655 nan 8.230 nan 0.000 0.620 360 H N 0.634 119.697 119.070 -0.012 0.000 2.707 360 H HA 0.481 5.040 4.556 0.005 0.000 0.359 360 H C -0.863 174.467 175.328 0.004 0.000 1.113 360 H CA -0.092 55.931 56.048 -0.042 0.000 1.422 360 H CB 0.940 30.633 29.762 -0.115 0.000 1.443 360 H HN 0.165 nan 8.280 nan 0.000 0.591 361 V N 6.586 126.349 119.914 -0.252 0.000 2.389 361 V HA 0.101 4.224 4.120 0.005 0.000 0.264 361 V C 0.590 176.438 176.094 -0.411 0.000 1.049 361 V CA -0.486 61.593 62.300 -0.367 0.000 0.932 361 V CB -0.140 31.527 31.823 -0.259 0.000 1.011 361 V HN 0.886 nan 8.190 nan 0.000 0.475 362 H N 2.411 121.167 119.070 -0.525 0.000 2.533 362 H HA 0.677 5.236 4.556 0.005 0.000 0.343 362 H C -0.643 174.484 175.328 -0.335 0.000 1.160 362 H CA -1.223 54.598 56.048 -0.378 0.000 1.218 362 H CB 1.742 31.332 29.762 -0.286 0.000 1.566 362 H HN 0.661 nan 8.280 nan 0.000 0.522 363 D N 0.238 120.510 120.400 -0.215 0.000 2.511 363 D HA -0.013 4.630 4.640 0.005 0.000 0.276 363 D C 0.917 177.095 176.300 -0.204 0.000 1.220 363 D CA -0.650 53.188 54.000 -0.270 0.000 1.077 363 D CB 0.739 41.370 40.800 -0.281 0.000 1.126 363 D HN 0.518 nan 8.370 nan 0.000 0.583 364 E N -1.659 118.348 120.200 -0.322 0.000 2.274 364 E HA 0.042 4.395 4.350 0.005 0.000 0.194 364 E C 0.548 176.670 176.600 -0.796 0.000 0.996 364 E CA 1.029 57.031 56.400 -0.663 0.000 0.840 364 E CB -0.128 28.950 29.700 -1.036 0.000 0.772 364 E HN 0.570 nan 8.360 nan 0.000 0.491 365 F N -1.679 118.288 119.950 0.028 0.000 2.856 365 F HA 0.379 4.909 4.527 0.005 0.000 0.338 365 F C 0.697 176.518 175.800 0.035 0.000 1.005 365 F CA -0.470 57.550 58.000 0.034 0.000 1.155 365 F CB 0.609 39.631 39.000 0.037 0.000 1.010 365 F HN -0.340 nan 8.300 nan 0.000 0.587 366 R N 0.345 120.948 120.500 0.172 0.000 2.778 366 R HA 0.657 4.999 4.340 0.005 0.000 0.277 366 R C -0.675 175.673 176.300 0.079 0.000 0.977 366 R CA -0.582 55.590 56.100 0.121 0.000 0.950 366 R CB 1.901 32.272 30.300 0.119 0.000 1.165 366 R HN -0.034 nan 8.270 nan 0.000 0.474 367 T N -1.523 113.071 114.554 0.065 0.000 2.861 367 T HA 0.641 4.994 4.350 0.005 0.000 0.287 367 T C -0.115 174.607 174.700 0.037 0.000 1.003 367 T CA -1.004 61.127 62.100 0.051 0.000 0.977 367 T CB 1.897 70.768 68.868 0.006 0.000 0.996 367 T HN 0.646 nan 8.240 nan 0.000 0.448 368 A N 1.823 124.653 122.820 0.017 0.000 2.445 368 A HA 0.732 5.055 4.320 0.005 0.000 0.242 368 A C 0.516 178.070 177.584 -0.051 0.000 1.075 368 A CA -0.179 51.815 52.037 -0.072 0.000 0.777 368 A CB -0.432 18.383 19.000 -0.308 0.000 1.013 368 A HN 1.730 nan 8.150 nan 0.000 0.493 369 A N 0.986 123.839 122.820 0.054 0.000 2.572 369 A HA 0.642 4.965 4.320 0.005 0.000 0.295 369 A C -1.170 176.490 177.584 0.127 0.000 1.072 369 A CA -0.429 51.653 52.037 0.076 0.000 0.691 369 A CB 1.498 20.518 19.000 0.035 0.000 1.291 369 A HN 1.309 nan 8.150 nan 0.000 0.404 370 V N 1.897 121.871 119.914 0.100 0.000 2.376 370 V HA 0.521 4.644 4.120 0.005 0.000 0.287 370 V C -0.383 175.658 176.094 -0.088 0.000 1.015 370 V CA -0.241 62.068 62.300 0.015 0.000 0.834 370 V CB 0.935 32.817 31.823 0.099 0.000 1.001 370 V HN 0.947 nan 8.190 nan 0.000 0.428 371 E N 2.439 122.496 120.200 -0.237 0.000 2.343 371 E HA 0.877 5.230 4.350 0.005 0.000 0.270 371 E C -0.001 176.264 176.600 -0.558 0.000 0.895 371 E CA -0.676 55.561 56.400 -0.273 0.000 0.767 371 E CB 2.878 32.563 29.700 -0.026 0.000 1.248 371 E HN 0.865 nan 8.360 nan 0.000 0.440 372 G N 1.256 109.611 108.800 -0.742 0.000 2.342 372 G HA2 0.407 4.369 3.960 0.005 0.000 0.297 372 G HA3 0.407 4.369 3.960 0.005 0.000 0.297 372 G C -2.938 171.711 174.900 -0.419 0.000 1.313 372 G CA -0.780 43.776 45.100 -0.906 0.000 0.830 372 G HN 0.382 nan 8.290 nan 0.000 0.506 373 P HA 0.760 nan 4.420 nan 0.000 0.282 373 P C -1.476 175.599 177.300 -0.376 0.000 1.259 373 P CA -0.520 62.491 63.100 -0.150 0.000 0.826 373 P CB 1.253 33.058 31.700 0.175 0.000 1.064 374 F N -0.979 118.996 119.950 0.041 0.000 2.546 374 F HA 0.335 4.864 4.527 0.004 0.000 0.320 374 F C 0.162 175.996 175.800 0.056 0.000 1.076 374 F CA -1.079 56.956 58.000 0.059 0.000 0.928 374 F CB 1.902 40.971 39.000 0.114 0.000 1.189 374 F HN -0.079 nan 8.300 nan 0.000 0.465 375 V N 1.994 122.034 119.914 0.210 0.000 2.408 375 V HA 0.395 4.518 4.120 0.005 0.000 0.267 375 V C -0.378 175.773 176.094 0.094 0.000 1.047 375 V CA -0.077 62.298 62.300 0.125 0.000 0.937 375 V CB 0.853 32.724 31.823 0.080 0.000 0.999 375 V HN 0.810 nan 8.190 nan 0.000 0.472 376 T N 6.582 121.181 114.554 0.076 0.000 2.949 376 T HA 0.560 4.912 4.350 0.005 0.000 0.300 376 T C -0.435 174.286 174.700 0.034 0.000 0.988 376 T CA -0.457 61.661 62.100 0.030 0.000 0.993 376 T CB 1.047 69.922 68.868 0.012 0.000 0.984 376 T HN 0.304 nan 8.240 nan 0.000 0.442 377 L N 2.343 123.578 121.223 0.019 0.000 2.379 377 L HA 0.446 4.789 4.340 0.005 0.000 0.269 377 L C 0.195 177.077 176.870 0.019 0.000 1.084 377 L CA -0.755 54.098 54.840 0.022 0.000 0.802 377 L CB 0.356 42.424 42.059 0.015 0.000 1.175 377 L HN 0.668 nan 8.230 nan 0.000 0.448 378 D N 1.610 122.024 120.400 0.023 0.000 2.708 378 D HA -0.223 4.420 4.640 0.005 0.000 0.236 378 D C 1.042 177.360 176.300 0.029 0.000 1.146 378 D CA 0.765 54.779 54.000 0.022 0.000 0.662 378 D CB -0.546 40.263 40.800 0.014 0.000 1.059 378 D HN 0.628 nan 8.370 nan 0.000 0.428 379 M N -0.490 119.133 119.600 0.038 0.000 2.229 379 M HA -0.168 4.314 4.480 0.005 0.000 0.264 379 M C 1.950 178.282 176.300 0.053 0.000 1.063 379 M CA 1.479 56.806 55.300 0.046 0.000 1.114 379 M CB -0.087 32.547 32.600 0.055 0.000 1.387 379 M HN -0.059 nan 8.290 nan 0.000 0.420 380 E N 0.730 120.959 120.200 0.048 0.000 2.209 380 E HA -0.175 4.177 4.350 0.005 0.000 0.196 380 E C 1.252 177.878 176.600 0.044 0.000 0.993 380 E CA 1.047 57.475 56.400 0.047 0.000 0.819 380 E CB -0.193 29.529 29.700 0.036 0.000 0.745 380 E HN 0.410 nan 8.360 nan 0.000 0.477 381 D N -1.179 119.243 120.400 0.037 0.000 2.363 381 D HA -0.051 4.591 4.640 0.005 0.000 0.220 381 D C 1.058 177.388 176.300 0.050 0.000 0.994 381 D CA 0.410 54.430 54.000 0.033 0.000 0.890 381 D CB -0.165 40.647 40.800 0.020 0.000 0.906 381 D HN 0.266 nan 8.370 nan 0.000 0.530 382 c N 0.595 119.234 118.600 0.065 0.000 2.495 382 c HA 0.234 4.807 4.570 0.005 0.000 0.275 382 c C 1.660 175.824 174.090 0.125 0.000 1.392 382 c CA -0.315 56.066 56.329 0.088 0.000 1.766 382 c CB -0.929 41.639 42.510 0.097 0.000 1.933 382 c HN 0.235 nan 8.230 nan 0.000 0.519 383 G N -0.864 108.007 108.800 0.119 0.000 2.483 383 G HA2 0.366 4.328 3.960 0.005 0.000 0.248 383 G HA3 0.366 4.328 3.960 0.005 0.000 0.248 383 G C -1.018 173.991 174.900 0.183 0.000 1.248 383 G CA 0.049 45.241 45.100 0.153 0.000 0.838 383 G HN 0.448 nan 8.290 nan 0.000 0.566 384 Y N 2.512 122.876 120.300 0.105 0.000 2.320 384 Y HA 0.418 4.971 4.550 0.005 0.000 0.334 384 Y C 0.185 176.140 175.900 0.092 0.000 1.055 384 Y CA -0.898 57.271 58.100 0.115 0.000 1.143 384 Y CB 0.888 39.459 38.460 0.185 0.000 1.193 384 Y HN 0.494 nan 8.280 nan 0.000 0.477 385 N N 0.000 118.320 118.700 -0.634 0.000 1.763 385 N HA 0.000 4.743 4.740 0.005 0.000 0.220 385 N CA 0.000 52.754 53.050 -0.493 0.000 0.885 385 N CB 0.000 38.341 38.487 -0.244 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667