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 3lgx_1_B DATA FIRST_RESID -3 DATA SEQUENCE SLKDMIDSIE QFAQTQADFP VYDCLGERRT YGQLKRDSDS IAAFIDSLAL DATA SEQUENCE LAKSPVLVFG AQTYDMLATF VALTKSGHAY IPVDVHSAPE RILAIIEIAK DATA SEQUENCE PSLIIAIEEF PLTIEGISLV SLSEIESAKL AEMPYERTHS VKGDDNYYII DATA SEQUENCE FTSXXXGQPK GVQISHDNLL SFTNWMIEDA AFDVPKQPQM LAQPPYSFDL DATA SEQUENCE SVMYWAPTLA LGGTLFALPK ELVADFKQLF TTIAQLPVGI WTSTPSFADM DATA SEQUENCE AMLSDDFCQA KMPALTHFYF DGEELTVSTA RKLFERFPSA KIINAYGPTE DATA SEQUENCE ATVALSAIEI TREMVDNYTR LPIGYPKPDS PTYIIDEDGK ELSSGEQGEI DATA SEQUENCE IVTGPAVSKG YLNNPEKTAE AFFTFKGQPA YHTGDIGSLT EDNILLYGGR DATA SEQUENCE LDFQIKYAGY RIELEDVSQQ LNQSPMVASA VAVPRYNKEH KVQNLLAYIV DATA SEQUENCE VKDGVKERFD RELELTKAIK ASVKDHMMSY MMPSKFLYRD SLPLTPNGKI DATA SEQUENCE DIKTLINEVN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 S HA 0.000 nan 4.470 nan 0.000 0.327 -3 S C 0.000 174.607 174.600 0.012 0.000 1.055 -3 S CA 0.000 58.203 58.200 0.006 0.000 1.107 -3 S CB 0.000 63.206 63.200 0.010 0.000 0.593 -2 L N 1.952 123.189 121.223 0.023 0.000 2.453 -2 L HA 0.448 4.787 4.340 -0.001 0.000 0.272 -2 L C 1.342 178.236 176.870 0.041 0.000 1.182 -2 L CA 0.751 55.617 54.840 0.043 0.000 0.858 -2 L CB 0.130 42.227 42.059 0.063 0.000 1.120 -2 L HN 0.811 nan 8.230 nan 0.000 0.474 -1 K N 1.160 121.585 120.400 0.041 0.000 2.436 -1 K HA 0.227 4.546 4.320 -0.001 0.000 0.198 -1 K C -0.281 176.320 176.600 0.002 0.000 1.174 -1 K CA 0.124 56.419 56.287 0.014 0.000 0.951 -1 K CB 1.198 33.698 32.500 0.001 0.000 1.040 -1 K HN 0.615 nan 8.250 nan 0.000 0.536 0 D N 0.252 120.696 120.400 0.072 0.000 2.804 0 D HA 0.052 4.691 4.640 -0.001 0.000 0.209 0 D C 0.306 176.806 176.300 0.334 0.000 1.314 0 D CA -0.141 53.947 54.000 0.146 0.000 0.894 0 D CB 1.548 42.383 40.800 0.057 0.000 1.615 0 D HN -0.217 nan 8.370 nan 0.000 0.571 1 M N 3.958 123.925 119.600 0.611 0.000 2.106 1 M HA -0.144 4.335 4.480 -0.001 0.000 0.259 1 M C 1.368 177.907 176.300 0.397 0.000 1.068 1 M CA 1.649 57.218 55.300 0.447 0.000 1.100 1 M CB -0.126 32.715 32.600 0.402 0.000 1.351 1 M HN 0.561 nan 8.290 nan 0.000 0.404 2 I N -0.105 120.707 120.570 0.404 0.000 2.286 2 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 2 I C 1.853 178.105 176.117 0.225 0.000 1.104 2 I CA 1.198 62.677 61.300 0.297 0.000 1.397 2 I CB -1.852 36.301 38.000 0.255 0.000 1.072 2 I HN 0.233 nan 8.210 nan 0.000 0.417 3 D N 0.988 121.499 120.400 0.186 0.000 2.154 3 D HA -0.189 4.450 4.640 -0.001 0.000 0.190 3 D C 2.398 178.754 176.300 0.093 0.000 1.003 3 D CA 1.648 55.715 54.000 0.111 0.000 0.849 3 D CB -0.302 40.541 40.800 0.072 0.000 0.942 3 D HN 0.134 nan 8.370 nan 0.000 0.446 4 S N 0.088 115.868 115.700 0.132 0.000 2.372 4 S HA -0.189 4.280 4.470 -0.001 0.000 0.227 4 S C 2.087 176.807 174.600 0.200 0.000 1.044 4 S CA 1.485 59.753 58.200 0.114 0.000 1.050 4 S CB -0.355 63.006 63.200 0.269 0.000 0.901 4 S HN 0.508 nan 8.310 nan 0.000 0.447 5 I N -0.689 120.092 120.570 0.351 0.000 2.584 5 I HA 0.064 4.233 4.170 -0.001 0.000 0.255 5 I C 2.152 178.476 176.117 0.344 0.000 1.145 5 I CA 1.231 62.828 61.300 0.495 0.000 1.462 5 I CB -0.401 37.887 38.000 0.481 0.000 1.102 5 I HN 0.069 nan 8.210 nan 0.000 0.433 6 E N 1.786 122.114 120.200 0.213 0.000 2.049 6 E HA -0.284 4.066 4.350 -0.001 0.000 0.198 6 E C 2.277 178.927 176.600 0.083 0.000 1.007 6 E CA 2.068 58.553 56.400 0.141 0.000 0.809 6 E CB -0.308 29.455 29.700 0.105 0.000 0.749 6 E HN 0.598 nan 8.360 nan 0.000 0.450 7 Q N -1.185 118.607 119.800 -0.013 0.000 2.077 7 Q HA -0.185 4.154 4.340 -0.001 0.000 0.206 7 Q C 2.067 177.973 176.000 -0.157 0.000 0.989 7 Q CA 1.704 57.416 55.803 -0.151 0.000 0.853 7 Q CB -0.286 28.254 28.738 -0.329 0.000 0.907 7 Q HN 0.319 nan 8.270 nan 0.000 0.418 8 F N 0.009 119.966 119.950 0.012 0.000 2.293 8 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 8 F C 2.248 178.062 175.800 0.024 0.000 1.086 8 F CA 0.841 58.783 58.000 -0.095 0.000 1.375 8 F CB -0.617 38.151 39.000 -0.386 0.000 1.045 8 F HN 0.074 nan 8.300 nan 0.000 0.516 9 A N -0.268 122.728 122.820 0.292 0.000 1.877 9 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 9 A C 2.255 179.929 177.584 0.150 0.000 1.186 9 A CA 1.422 53.608 52.037 0.248 0.000 0.620 9 A CB -0.523 18.605 19.000 0.213 0.000 0.822 9 A HN 0.247 nan 8.150 nan 0.000 0.443 10 Q N -0.588 119.268 119.800 0.093 0.000 2.016 10 Q HA -0.102 4.237 4.340 -0.001 0.000 0.200 10 Q C 2.219 178.250 176.000 0.051 0.000 0.978 10 Q CA 2.113 57.949 55.803 0.056 0.000 0.833 10 Q CB -1.404 27.347 28.738 0.022 0.000 0.895 10 Q HN 0.604 nan 8.270 nan 0.000 0.427 11 T N 1.684 116.259 114.554 0.034 0.000 2.821 11 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 11 T C 0.681 175.418 174.700 0.063 0.000 1.046 11 T CA 1.436 63.552 62.100 0.027 0.000 1.139 11 T CB -0.012 68.843 68.868 -0.022 0.000 0.871 11 T HN 0.469 nan 8.240 nan 0.000 0.454 12 Q N -0.652 119.210 119.800 0.104 0.000 3.007 12 Q HA 0.677 5.016 4.340 -0.001 0.000 0.321 12 Q C 0.852 176.972 176.000 0.201 0.000 0.784 12 Q CA -0.277 55.594 55.803 0.114 0.000 0.990 12 Q CB 0.444 29.189 28.738 0.012 0.000 1.493 12 Q HN 0.154 nan 8.270 nan 0.000 0.382 13 A N 0.679 123.606 122.820 0.179 0.000 2.024 13 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 13 A C 1.186 178.889 177.584 0.200 0.000 1.164 13 A CA 1.866 54.019 52.037 0.193 0.000 0.643 13 A CB -0.066 19.012 19.000 0.130 0.000 0.806 13 A HN 0.496 nan 8.150 nan 0.000 0.451 14 D N -2.598 117.917 120.400 0.192 0.000 2.398 14 D HA 0.207 4.846 4.640 -0.001 0.000 0.210 14 D C -0.139 176.268 176.300 0.178 0.000 1.094 14 D CA -0.253 53.836 54.000 0.149 0.000 0.839 14 D CB 0.000 40.863 40.800 0.104 0.000 0.963 14 D HN 0.382 nan 8.370 nan 0.000 0.506 15 F N 2.286 122.307 119.950 0.118 0.000 2.443 15 F HA 0.290 4.816 4.527 -0.001 0.000 0.353 15 F C -2.122 173.789 175.800 0.184 0.000 1.101 15 F CA -2.243 55.830 58.000 0.120 0.000 1.226 15 F CB 0.880 39.929 39.000 0.081 0.000 1.140 15 F HN -0.242 nan 8.300 nan 0.000 0.557 16 P HA 0.027 nan 4.420 nan 0.000 0.271 16 P C 0.215 177.504 177.300 -0.018 0.000 1.216 16 P CA 0.116 63.075 63.100 -0.235 0.000 0.771 16 P CB 1.513 32.967 31.700 -0.411 0.000 0.864 17 V N 3.377 123.238 119.914 -0.088 0.000 3.307 17 V HA 0.171 4.290 4.120 -0.001 0.000 0.253 17 V C -0.427 175.641 176.094 -0.044 0.000 1.149 17 V CA 0.717 62.910 62.300 -0.177 0.000 1.112 17 V CB -0.596 30.837 31.823 -0.651 0.000 0.777 17 V HN 0.505 nan 8.190 nan 0.000 0.464 18 Y N 0.124 120.277 120.300 -0.247 0.000 2.482 18 Y HA 0.596 5.145 4.550 -0.001 0.000 0.334 18 Y C -1.574 174.114 175.900 -0.353 0.000 1.091 18 Y CA -1.337 56.623 58.100 -0.234 0.000 1.027 18 Y CB 1.748 40.181 38.460 -0.045 0.000 1.306 18 Y HN 0.104 nan 8.280 nan 0.000 0.446 19 D N 4.525 124.383 120.400 -0.904 0.000 2.788 19 D HA 0.274 4.913 4.640 -0.001 0.000 0.247 19 D C -1.704 174.223 176.300 -0.621 0.000 1.236 19 D CA -0.087 53.512 54.000 -0.668 0.000 0.898 19 D CB 1.751 42.009 40.800 -0.903 0.000 1.401 19 D HN 0.670 nan 8.370 nan 0.000 0.549 20 C N 7.008 126.160 119.300 -0.247 0.000 2.409 20 C HA 0.389 4.849 4.460 -0.001 0.000 0.297 20 C C 0.821 175.795 174.990 -0.027 0.000 1.083 20 C CA -0.475 58.480 59.018 -0.105 0.000 1.515 20 C CB -2.086 25.707 27.740 0.088 0.000 1.869 20 C HN 0.783 nan 8.230 nan 0.000 0.413 21 L N 5.557 126.774 121.223 -0.010 0.000 3.762 21 L HA -0.234 4.105 4.340 -0.001 0.000 0.460 21 L C 1.330 178.206 176.870 0.009 0.000 1.255 21 L CA 0.879 55.730 54.840 0.019 0.000 0.783 21 L CB -2.092 39.977 42.059 0.017 0.000 1.600 21 L HN 1.157 nan 8.230 nan 0.000 0.862 22 G N -0.815 107.985 108.800 -0.001 0.000 2.399 22 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.216 22 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.216 22 G C 0.182 175.058 174.900 -0.040 0.000 1.096 22 G CA 0.283 45.375 45.100 -0.013 0.000 0.650 22 G HN 0.571 nan 8.290 nan 0.000 0.512 23 E N 2.324 122.505 120.200 -0.033 0.000 2.271 23 E HA 0.317 4.667 4.350 -0.001 0.000 0.255 23 E C 0.510 177.079 176.600 -0.053 0.000 1.177 23 E CA -0.017 56.359 56.400 -0.040 0.000 0.946 23 E CB 0.053 29.744 29.700 -0.016 0.000 1.009 23 E HN 0.482 nan 8.360 nan 0.000 0.451 24 R N 3.529 123.972 120.500 -0.096 0.000 2.668 24 R HA 0.525 4.865 4.340 -0.001 0.000 0.279 24 R C -0.176 176.010 176.300 -0.191 0.000 0.976 24 R CA -0.961 55.060 56.100 -0.132 0.000 0.978 24 R CB 1.508 31.714 30.300 -0.157 0.000 1.133 24 R HN 0.338 nan 8.270 nan 0.000 0.484 25 R N 0.436 120.796 120.500 -0.233 0.000 2.807 25 R HA 0.382 4.721 4.340 -0.001 0.000 0.276 25 R C -0.333 175.839 176.300 -0.213 0.000 0.979 25 R CA -0.670 55.214 56.100 -0.360 0.000 0.928 25 R CB 2.230 32.011 30.300 -0.864 0.000 1.191 25 R HN 0.826 nan 8.270 nan 0.000 0.471 26 T N -2.293 112.170 114.554 -0.151 0.000 2.952 26 T HA 0.299 4.648 4.350 -0.001 0.000 0.286 26 T C 1.154 175.856 174.700 0.002 0.000 1.024 26 T CA -0.531 61.557 62.100 -0.020 0.000 1.029 26 T CB 0.750 69.643 68.868 0.041 0.000 1.094 26 T HN 0.436 nan 8.240 nan 0.000 0.515 27 Y N 1.685 122.055 120.300 0.118 0.000 2.069 27 Y HA -0.048 4.501 4.550 -0.001 0.000 0.278 27 Y C 2.899 178.875 175.900 0.127 0.000 1.175 27 Y CA 2.412 60.604 58.100 0.153 0.000 1.134 27 Y CB -1.075 37.508 38.460 0.204 0.000 0.965 27 Y HN 0.908 nan 8.280 nan 0.000 0.498 28 G N -0.939 108.007 108.800 0.244 0.000 2.469 28 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 28 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 28 G C 1.454 176.411 174.900 0.096 0.000 1.150 28 G CA 1.130 46.323 45.100 0.156 0.000 0.763 28 G HN 0.437 nan 8.290 nan 0.000 0.561 29 Q N -0.772 119.062 119.800 0.057 0.000 2.119 29 Q HA -0.001 4.338 4.340 -0.001 0.000 0.201 29 Q C 2.466 178.506 176.000 0.067 0.000 0.972 29 Q CA 0.799 56.615 55.803 0.022 0.000 0.847 29 Q CB -0.239 28.463 28.738 -0.060 0.000 0.903 29 Q HN 0.410 nan 8.270 nan 0.000 0.433 30 L N 1.637 122.908 121.223 0.079 0.000 1.989 30 L HA -0.249 4.090 4.340 -0.001 0.000 0.211 30 L C 2.241 179.144 176.870 0.056 0.000 1.071 30 L CA 2.008 56.899 54.840 0.085 0.000 0.749 30 L CB -0.586 41.473 42.059 -0.001 0.000 0.890 30 L HN 0.070 nan 8.230 nan 0.000 0.431 31 K N -0.765 119.688 120.400 0.089 0.000 2.009 31 K HA -0.269 4.050 4.320 -0.001 0.000 0.210 31 K C 2.443 179.078 176.600 0.058 0.000 1.049 31 K CA 1.954 58.294 56.287 0.089 0.000 0.929 31 K CB -0.274 32.297 32.500 0.120 0.000 0.714 31 K HN 0.275 nan 8.250 nan 0.000 0.440 32 R N 0.306 120.839 120.500 0.054 0.000 2.070 32 R HA -0.136 4.203 4.340 -0.001 0.000 0.233 32 R C 1.865 178.171 176.300 0.011 0.000 1.137 32 R CA 2.120 58.242 56.100 0.037 0.000 0.945 32 R CB -0.171 30.149 30.300 0.033 0.000 0.845 32 R HN 0.311 nan 8.270 nan 0.000 0.430 33 D N -0.215 120.190 120.400 0.008 0.000 2.092 33 D HA -0.169 4.470 4.640 -0.001 0.000 0.193 33 D C 1.993 178.243 176.300 -0.082 0.000 0.994 33 D CA 2.012 55.996 54.000 -0.026 0.000 0.828 33 D CB -0.418 40.397 40.800 0.025 0.000 0.963 33 D HN 0.312 nan 8.370 nan 0.000 0.450 34 S N 0.516 116.163 115.700 -0.087 0.000 2.383 34 S HA -0.157 4.312 4.470 -0.001 0.000 0.227 34 S C 1.592 176.117 174.600 -0.125 0.000 1.026 34 S CA 1.129 59.252 58.200 -0.128 0.000 0.981 34 S CB -0.222 62.912 63.200 -0.111 0.000 0.818 34 S HN -0.014 nan 8.310 nan 0.000 0.472 35 D N 1.461 121.827 120.400 -0.055 0.000 2.123 35 D HA -0.061 4.578 4.640 -0.001 0.000 0.196 35 D C 2.163 178.417 176.300 -0.076 0.000 0.992 35 D CA 1.495 55.478 54.000 -0.028 0.000 0.833 35 D CB -0.683 40.170 40.800 0.088 0.000 0.954 35 D HN 0.480 nan 8.370 nan 0.000 0.455 36 S N -0.605 115.069 115.700 -0.043 0.000 2.383 36 S HA -0.037 4.432 4.470 -0.001 0.000 0.227 36 S C 2.058 176.629 174.600 -0.048 0.000 1.026 36 S CA 0.434 58.618 58.200 -0.027 0.000 0.981 36 S CB -0.143 63.040 63.200 -0.029 0.000 0.818 36 S HN 0.161 nan 8.310 nan 0.000 0.472 37 I N 1.518 122.028 120.570 -0.100 0.000 2.439 37 I HA -0.080 4.089 4.170 -0.001 0.000 0.251 37 I C 2.661 178.750 176.117 -0.048 0.000 1.139 37 I CA 0.834 62.093 61.300 -0.067 0.000 1.438 37 I CB -0.444 37.472 38.000 -0.140 0.000 1.085 37 I HN 0.313 nan 8.210 nan 0.000 0.427 38 A N 1.040 123.709 122.820 -0.252 0.000 1.873 38 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 38 A C 2.557 179.907 177.584 -0.390 0.000 1.193 38 A CA 2.281 54.014 52.037 -0.508 0.000 0.629 38 A CB -1.008 17.275 19.000 -1.195 0.000 0.826 38 A HN 0.426 nan 8.150 nan 0.000 0.447 39 A N -1.348 121.323 122.820 -0.249 0.000 1.902 39 A HA -0.020 4.299 4.320 -0.001 0.000 0.217 39 A C 2.056 179.691 177.584 0.084 0.000 1.181 39 A CA 1.607 53.684 52.037 0.066 0.000 0.623 39 A CB -0.762 18.347 19.000 0.182 0.000 0.818 39 A HN 0.835 nan 8.150 nan 0.000 0.443 40 F N 0.558 120.473 119.950 -0.059 0.000 2.120 40 F HA -0.208 4.318 4.527 -0.001 0.000 0.300 40 F C 1.790 177.556 175.800 -0.057 0.000 1.095 40 F CA 1.919 59.887 58.000 -0.054 0.000 1.249 40 F CB -0.272 38.682 39.000 -0.077 0.000 0.995 40 F HN 0.177 nan 8.300 nan 0.000 0.480 41 I N 0.388 120.828 120.570 -0.217 0.000 2.252 41 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 41 I C 1.945 177.947 176.117 -0.192 0.000 1.102 41 I CA 1.469 62.583 61.300 -0.310 0.000 1.385 41 I CB -0.545 37.357 38.000 -0.163 0.000 1.064 41 I HN 0.043 nan 8.210 nan 0.000 0.414 42 D N -0.015 120.373 120.400 -0.021 0.000 2.178 42 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 42 D C 2.362 178.659 176.300 -0.005 0.000 0.980 42 D CA 1.621 55.677 54.000 0.093 0.000 0.842 42 D CB -0.219 40.736 40.800 0.259 0.000 0.948 42 D HN 0.345 nan 8.370 nan 0.000 0.472 43 S N -0.208 115.447 115.700 -0.075 0.000 2.515 43 S HA -0.033 4.436 4.470 -0.001 0.000 0.231 43 S C 1.871 176.384 174.600 -0.144 0.000 0.987 43 S CA 0.267 58.415 58.200 -0.087 0.000 0.936 43 S CB -0.411 62.743 63.200 -0.077 0.000 0.766 43 S HN 0.267 nan 8.310 nan 0.000 0.528 44 L N 0.775 121.864 121.223 -0.223 0.000 2.554 44 L HA 0.331 4.670 4.340 -0.001 0.000 0.226 44 L C 1.429 178.226 176.870 -0.121 0.000 1.137 44 L CA 0.221 54.934 54.840 -0.211 0.000 0.863 44 L CB -1.079 40.792 42.059 -0.314 0.000 0.985 44 L HN 0.449 nan 8.230 nan 0.000 0.451 45 A N 1.132 123.906 122.820 -0.076 0.000 2.466 45 A HA -0.199 4.120 4.320 -0.001 0.000 0.295 45 A C 0.257 177.822 177.584 -0.031 0.000 1.465 45 A CA 0.456 52.470 52.037 -0.038 0.000 0.744 45 A CB -2.184 16.794 19.000 -0.037 0.000 1.098 45 A HN 0.357 nan 8.150 nan 0.000 0.402 46 L N -0.336 120.875 121.223 -0.020 0.000 2.439 46 L HA 0.445 4.784 4.340 -0.001 0.000 0.261 46 L C 0.963 177.870 176.870 0.063 0.000 1.153 46 L CA -1.063 53.771 54.840 -0.009 0.000 0.808 46 L CB 0.593 42.599 42.059 -0.089 0.000 1.126 46 L HN 0.624 nan 8.230 nan 0.000 0.460 47 L N 2.611 123.865 121.223 0.052 0.000 2.601 47 L HA 0.105 4.444 4.340 -0.001 0.000 0.277 47 L C 0.395 177.322 176.870 0.096 0.000 1.219 47 L CA 0.216 55.088 54.840 0.053 0.000 0.915 47 L CB 0.208 42.289 42.059 0.037 0.000 1.160 47 L HN 0.634 nan 8.230 nan 0.000 0.494 48 A N 5.318 128.162 122.820 0.040 0.000 2.511 48 A HA 0.224 4.543 4.320 -0.001 0.000 0.242 48 A C 0.944 178.507 177.584 -0.035 0.000 1.069 48 A CA 0.333 52.366 52.037 -0.007 0.000 0.763 48 A CB -0.328 18.636 19.000 -0.060 0.000 1.001 48 A HN 0.905 nan 8.150 nan 0.000 0.498 49 K N 0.023 120.333 120.400 -0.150 0.000 3.160 49 K HA -0.162 4.157 4.320 -0.001 0.000 0.280 49 K C 0.256 176.861 176.600 0.007 0.000 1.154 49 K CA 0.921 57.135 56.287 -0.122 0.000 0.822 49 K CB -2.204 30.254 32.500 -0.069 0.000 1.239 49 K HN 1.070 nan 8.250 nan 0.000 0.489 50 S N 0.544 116.328 115.700 0.141 0.000 2.585 50 S HA 0.555 5.024 4.470 -0.001 0.000 0.277 50 S C -1.960 172.763 174.600 0.205 0.000 1.241 50 S CA -1.389 56.903 58.200 0.153 0.000 1.041 50 S CB 1.556 64.834 63.200 0.129 0.000 0.987 50 S HN -0.049 nan 8.310 nan 0.000 0.512 51 P HA 0.406 nan 4.420 nan 0.000 0.277 51 P C -1.085 176.273 177.300 0.097 0.000 1.240 51 P CA -0.588 62.579 63.100 0.112 0.000 0.798 51 P CB 0.827 32.580 31.700 0.088 0.000 0.979 52 V N 2.981 122.957 119.914 0.102 0.000 2.623 52 V HA 0.285 4.404 4.120 -0.001 0.000 0.304 52 V C 0.149 176.308 176.094 0.110 0.000 1.054 52 V CA -0.841 61.496 62.300 0.062 0.000 0.882 52 V CB 1.943 33.778 31.823 0.019 0.000 1.002 52 V HN 0.461 nan 8.190 nan 0.000 0.424 53 L N 5.438 126.706 121.223 0.076 0.000 2.290 53 L HA 0.630 4.970 4.340 -0.001 0.000 0.284 53 L C -0.739 176.197 176.870 0.110 0.000 1.078 53 L CA -0.116 54.791 54.840 0.111 0.000 0.815 53 L CB 1.262 43.357 42.059 0.060 0.000 1.162 53 L HN 0.510 nan 8.230 nan 0.000 0.435 54 V N 6.029 126.062 119.914 0.199 0.000 2.378 54 V HA 0.297 4.416 4.120 -0.001 0.000 0.288 54 V C -0.585 175.657 176.094 0.245 0.000 1.016 54 V CA -0.437 61.976 62.300 0.188 0.000 0.840 54 V CB 1.236 33.212 31.823 0.255 0.000 0.994 54 V HN 0.551 nan 8.190 nan 0.000 0.431 55 F N 4.509 124.488 119.950 0.049 0.000 2.411 55 F HA 0.886 5.412 4.527 -0.001 0.000 0.352 55 F C 0.458 176.300 175.800 0.071 0.000 1.123 55 F CA 0.295 58.359 58.000 0.107 0.000 1.044 55 F CB 1.303 40.419 39.000 0.193 0.000 1.135 55 F HN 0.668 nan 8.300 nan 0.000 0.461 56 G N 2.869 111.327 108.800 -0.569 0.000 2.341 56 G HA2 0.535 4.495 3.960 -0.001 0.000 0.299 56 G HA3 0.535 4.495 3.960 -0.001 0.000 0.299 56 G C -1.571 173.129 174.900 -0.333 0.000 1.274 56 G CA -0.178 44.661 45.100 -0.436 0.000 0.853 56 G HN 0.963 nan 8.290 nan 0.000 0.493 57 A N -1.242 121.470 122.820 -0.180 0.000 3.388 57 A HA 0.747 5.066 4.320 -0.001 0.000 0.200 57 A C 0.782 178.429 177.584 0.106 0.000 1.866 57 A CA 0.524 52.518 52.037 -0.073 0.000 1.898 57 A CB 0.007 18.954 19.000 -0.087 0.000 1.383 57 A HN 0.530 nan 8.150 nan 0.000 0.410 58 Q N 0.247 120.123 119.800 0.127 0.000 2.089 58 Q HA 0.218 4.557 4.340 -0.001 0.000 0.248 58 Q C -0.472 175.695 176.000 0.279 0.000 0.828 58 Q CA 0.095 56.072 55.803 0.290 0.000 1.102 58 Q CB 0.985 29.811 28.738 0.146 0.000 1.221 58 Q HN 0.800 nan 8.270 nan 0.000 0.455 59 T N -2.947 111.669 114.554 0.104 0.000 2.813 59 T HA 0.003 4.353 4.350 -0.001 0.000 0.297 59 T C 0.856 175.419 174.700 -0.228 0.000 1.036 59 T CA -0.472 61.650 62.100 0.035 0.000 1.044 59 T CB 0.589 69.421 68.868 -0.061 0.000 0.993 59 T HN 0.279 nan 8.240 nan 0.000 0.535 60 Y N 1.245 121.064 120.300 -0.801 0.000 2.139 60 Y HA -0.235 4.314 4.550 -0.001 0.000 0.282 60 Y C 1.972 177.485 175.900 -0.645 0.000 1.179 60 Y CA 2.367 59.778 58.100 -1.150 0.000 1.161 60 Y CB -0.713 37.034 38.460 -1.188 0.000 0.970 60 Y HN 0.697 nan 8.280 nan 0.000 0.511 61 D N -0.277 119.754 120.400 -0.616 0.000 2.263 61 D HA -0.176 4.463 4.640 -0.001 0.000 0.208 61 D C 2.130 177.985 176.300 -0.740 0.000 0.971 61 D CA 1.109 54.722 54.000 -0.645 0.000 0.867 61 D CB -0.134 40.438 40.800 -0.379 0.000 0.929 61 D HN 0.439 nan 8.370 nan 0.000 0.492 62 M N 0.075 119.222 119.600 -0.755 0.000 2.086 62 M HA -0.116 4.363 4.480 -0.001 0.000 0.261 62 M C 2.262 177.516 176.300 -1.744 0.000 1.067 62 M CA 0.755 55.360 55.300 -1.159 0.000 1.116 62 M CB -0.951 31.085 32.600 -0.940 0.000 1.348 62 M HN 0.090 nan 8.290 nan 0.000 0.407 63 L N 0.990 121.459 121.223 -1.257 0.000 1.970 63 L HA -0.097 4.243 4.340 -0.001 0.000 0.212 63 L C 2.581 178.906 176.870 -0.908 0.000 1.071 63 L CA 2.411 56.630 54.840 -1.034 0.000 0.751 63 L CB -1.207 40.490 42.059 -0.604 0.000 0.889 63 L HN 0.271 nan 8.230 nan 0.000 0.432 64 A N -1.983 120.258 122.820 -0.966 0.000 1.972 64 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 64 A C 2.238 179.490 177.584 -0.554 0.000 1.169 64 A CA 2.241 53.843 52.037 -0.724 0.000 0.635 64 A CB -1.135 17.378 19.000 -0.811 0.000 0.810 64 A HN 0.552 nan 8.150 nan 0.000 0.446 65 T N -0.252 113.914 114.554 -0.647 0.000 2.737 65 T HA -0.069 4.280 4.350 -0.001 0.000 0.265 65 T C 1.519 175.991 174.700 -0.381 0.000 1.038 65 T CA 1.497 63.310 62.100 -0.478 0.000 1.144 65 T CB -0.410 68.170 68.868 -0.479 0.000 0.866 65 T HN 0.404 nan 8.240 nan 0.000 0.434 66 F N 1.440 121.024 119.950 -0.610 0.000 2.069 66 F HA -0.081 4.445 4.527 -0.001 0.000 0.298 66 F C 2.585 178.120 175.800 -0.442 0.000 1.113 66 F CA -0.105 57.416 58.000 -0.798 0.000 1.214 66 F CB -1.682 36.458 39.000 -1.435 0.000 0.978 66 F HN -0.030 nan 8.300 nan 0.000 0.474 67 V N 0.452 120.237 119.914 -0.214 0.000 2.287 67 V HA -0.334 3.785 4.120 -0.001 0.000 0.248 67 V C 2.707 178.734 176.094 -0.113 0.000 1.053 67 V CA 1.890 64.115 62.300 -0.126 0.000 1.027 67 V CB -1.599 30.145 31.823 -0.131 0.000 0.646 67 V HN 0.379 nan 8.190 nan 0.000 0.447 68 A N -0.223 122.498 122.820 -0.166 0.000 1.927 68 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 68 A C 2.239 179.760 177.584 -0.105 0.000 1.185 68 A CA 2.290 54.230 52.037 -0.162 0.000 0.639 68 A CB -0.656 18.238 19.000 -0.176 0.000 0.820 68 A HN 0.526 nan 8.150 nan 0.000 0.451 69 L N -1.014 120.182 121.223 -0.044 0.000 2.093 69 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 69 L C 2.806 179.700 176.870 0.040 0.000 1.085 69 L CA 1.707 56.580 54.840 0.054 0.000 0.755 69 L CB -0.830 41.309 42.059 0.133 0.000 0.904 69 L HN 0.376 nan 8.230 nan 0.000 0.435 70 T N -0.481 114.045 114.554 -0.047 0.000 2.746 70 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 70 T C 1.881 176.541 174.700 -0.066 0.000 1.039 70 T CA 1.177 63.178 62.100 -0.165 0.000 1.142 70 T CB -0.100 68.570 68.868 -0.330 0.000 0.866 70 T HN 0.279 nan 8.240 nan 0.000 0.444 71 K N 1.515 121.897 120.400 -0.030 0.000 2.063 71 K HA -0.080 4.239 4.320 -0.001 0.000 0.208 71 K C 2.344 178.958 176.600 0.023 0.000 1.048 71 K CA 1.714 58.017 56.287 0.026 0.000 0.928 71 K CB -0.193 32.300 32.500 -0.013 0.000 0.713 71 K HN 0.442 nan 8.250 nan 0.000 0.442 72 S N -0.910 114.780 115.700 -0.016 0.000 2.597 72 S HA 0.224 4.693 4.470 -0.001 0.000 0.224 72 S C 1.033 175.642 174.600 0.015 0.000 0.955 72 S CA 0.103 58.315 58.200 0.020 0.000 0.933 72 S CB 0.677 63.965 63.200 0.146 0.000 0.788 72 S HN 0.443 nan 8.310 nan 0.000 0.488 73 G N 0.869 109.627 108.800 -0.070 0.000 2.136 73 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.242 73 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.242 73 G C -0.319 174.373 174.900 -0.346 0.000 0.989 73 G CA 0.055 45.057 45.100 -0.163 0.000 0.682 73 G HN 0.729 nan 8.290 nan 0.000 0.522 74 H N 0.206 119.282 119.070 0.010 0.000 2.466 74 H HA 0.706 5.261 4.556 -0.001 0.000 0.338 74 H C 0.589 175.908 175.328 -0.015 0.000 1.091 74 H CA 0.112 56.165 56.048 0.009 0.000 1.207 74 H CB 1.703 31.480 29.762 0.025 0.000 1.466 74 H HN 0.554 nan 8.280 nan 0.000 0.493 75 A N 2.816 125.675 122.820 0.064 0.000 2.407 75 A HA 0.364 4.683 4.320 -0.001 0.000 0.248 75 A C -0.781 176.838 177.584 0.059 0.000 1.082 75 A CA -0.468 51.553 52.037 -0.028 0.000 0.785 75 A CB -0.288 18.667 19.000 -0.075 0.000 1.020 75 A HN 0.751 nan 8.150 nan 0.000 0.489 76 Y N -0.505 119.820 120.300 0.042 0.000 2.387 76 Y HA 0.722 5.271 4.550 -0.001 0.000 0.336 76 Y C -0.645 175.298 175.900 0.072 0.000 1.067 76 Y CA -1.513 56.614 58.100 0.044 0.000 1.114 76 Y CB 0.693 39.154 38.460 0.002 0.000 1.208 76 Y HN 0.373 nan 8.280 nan 0.000 0.458 77 I N 5.941 126.652 120.570 0.235 0.000 2.307 77 I HA 0.322 4.491 4.170 -0.001 0.000 0.287 77 I C -2.437 173.866 176.117 0.309 0.000 1.054 77 I CA -2.256 59.198 61.300 0.258 0.000 1.218 77 I CB 1.169 39.342 38.000 0.289 0.000 1.398 77 I HN 0.455 nan 8.210 nan 0.000 0.475 78 P HA 0.244 nan 4.420 nan 0.000 0.286 78 P C -0.769 176.707 177.300 0.293 0.000 1.269 78 P CA -0.257 63.024 63.100 0.301 0.000 0.787 78 P CB 1.449 33.280 31.700 0.218 0.000 0.920 79 V N 3.185 123.266 119.914 0.277 0.000 2.577 79 V HA 0.250 4.370 4.120 -0.001 0.000 0.303 79 V C 0.047 176.221 176.094 0.133 0.000 1.042 79 V CA -0.562 61.897 62.300 0.265 0.000 0.872 79 V CB 1.895 33.942 31.823 0.374 0.000 0.998 79 V HN 0.439 nan 8.190 nan 0.000 0.423 80 D N 2.281 122.740 120.400 0.098 0.000 2.344 80 D HA 0.225 4.864 4.640 -0.001 0.000 0.244 80 D C 0.862 177.017 176.300 -0.242 0.000 1.134 80 D CA 0.115 54.084 54.000 -0.051 0.000 0.930 80 D CB 2.051 42.891 40.800 0.066 0.000 1.175 80 D HN 0.232 nan 8.370 nan 0.000 0.437 81 V N 2.694 122.308 119.914 -0.500 0.000 2.358 81 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 81 V C 1.000 176.961 176.094 -0.221 0.000 1.047 81 V CA 1.828 63.786 62.300 -0.571 0.000 1.035 81 V CB -0.670 30.779 31.823 -0.622 0.000 0.658 81 V HN 0.633 nan 8.190 nan 0.000 0.452 82 H N -0.229 118.849 119.070 0.015 0.000 2.612 82 H HA 0.216 4.771 4.556 -0.001 0.000 0.285 82 H C 1.016 176.385 175.328 0.069 0.000 1.066 82 H CA 0.469 56.544 56.048 0.045 0.000 1.180 82 H CB -0.142 29.636 29.762 0.026 0.000 1.312 82 H HN 0.378 nan 8.280 nan 0.000 0.606 83 S N 1.056 116.861 115.700 0.174 0.000 2.525 83 S HA 0.538 5.008 4.470 -0.001 0.000 0.278 83 S C 0.450 175.121 174.600 0.118 0.000 1.234 83 S CA -0.884 57.409 58.200 0.156 0.000 1.058 83 S CB 0.501 63.809 63.200 0.179 0.000 0.983 83 S HN 0.443 nan 8.310 nan 0.000 0.495 84 A N 6.754 129.621 122.820 0.078 0.000 2.545 84 A HA 0.305 4.624 4.320 -0.001 0.000 0.253 84 A C -1.319 176.271 177.584 0.011 0.000 1.074 84 A CA -0.843 51.218 52.037 0.040 0.000 0.760 84 A CB -0.505 18.514 19.000 0.032 0.000 1.005 84 A HN 0.772 nan 8.150 nan 0.000 0.506 85 P HA -0.240 nan 4.420 nan 0.000 0.218 85 P C 1.383 178.647 177.300 -0.061 0.000 1.152 85 P CA 1.796 64.850 63.100 -0.077 0.000 0.857 85 P CB 0.245 31.894 31.700 -0.086 0.000 0.787 86 E N -0.108 120.071 120.200 -0.034 0.000 2.051 86 E HA -0.249 4.100 4.350 -0.001 0.000 0.192 86 E C 2.159 178.743 176.600 -0.028 0.000 0.991 86 E CA 1.238 57.622 56.400 -0.027 0.000 0.799 86 E CB -0.098 29.594 29.700 -0.013 0.000 0.748 86 E HN 0.175 nan 8.360 nan 0.000 0.449 87 R N 0.582 121.071 120.500 -0.018 0.000 2.092 87 R HA -0.079 4.260 4.340 -0.001 0.000 0.231 87 R C 2.314 178.576 176.300 -0.064 0.000 1.119 87 R CA 1.596 57.678 56.100 -0.031 0.000 0.970 87 R CB -0.800 29.496 30.300 -0.006 0.000 0.864 87 R HN 0.206 nan 8.270 nan 0.000 0.440 88 I N 0.955 121.505 120.570 -0.033 0.000 2.194 88 I HA -0.297 3.872 4.170 -0.001 0.000 0.246 88 I C 2.494 178.588 176.117 -0.038 0.000 1.093 88 I CA 1.473 62.759 61.300 -0.023 0.000 1.355 88 I CB -0.400 37.582 38.000 -0.031 0.000 1.046 88 I HN 0.215 nan 8.210 nan 0.000 0.413 89 L N 0.470 121.666 121.223 -0.044 0.000 2.027 89 L HA -0.185 4.155 4.340 -0.001 0.000 0.206 89 L C 2.850 179.696 176.870 -0.039 0.000 1.074 89 L CA 1.409 56.231 54.840 -0.030 0.000 0.745 89 L CB -0.382 41.658 42.059 -0.031 0.000 0.898 89 L HN 0.239 nan 8.230 nan 0.000 0.433 90 A N 0.225 123.011 122.820 -0.056 0.000 1.883 90 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 90 A C 2.104 179.616 177.584 -0.119 0.000 1.186 90 A CA 1.748 53.750 52.037 -0.059 0.000 0.624 90 A CB -0.783 18.189 19.000 -0.047 0.000 0.822 90 A HN 0.422 nan 8.150 nan 0.000 0.444 91 I N -0.299 120.118 120.570 -0.256 0.000 2.194 91 I HA -0.307 3.862 4.170 -0.001 0.000 0.246 91 I C 2.269 178.271 176.117 -0.192 0.000 1.093 91 I CA 1.530 62.529 61.300 -0.501 0.000 1.355 91 I CB -0.319 37.289 38.000 -0.653 0.000 1.046 91 I HN 0.338 nan 8.210 nan 0.000 0.413 92 I N -0.016 120.508 120.570 -0.077 0.000 2.252 92 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 92 I C 2.528 178.654 176.117 0.016 0.000 1.102 92 I CA 1.039 62.337 61.300 -0.004 0.000 1.385 92 I CB -0.412 37.600 38.000 0.021 0.000 1.064 92 I HN 0.189 nan 8.210 nan 0.000 0.414 93 E N 0.957 121.162 120.200 0.008 0.000 2.051 93 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 93 E C 2.283 178.915 176.600 0.054 0.000 0.991 93 E CA 1.443 57.859 56.400 0.027 0.000 0.799 93 E CB -0.280 29.432 29.700 0.019 0.000 0.748 93 E HN 0.509 nan 8.360 nan 0.000 0.449 94 I N 0.689 121.305 120.570 0.076 0.000 2.252 94 I HA -0.189 3.980 4.170 -0.001 0.000 0.245 94 I C 2.229 178.450 176.117 0.174 0.000 1.102 94 I CA 1.313 62.699 61.300 0.144 0.000 1.385 94 I CB -0.113 38.031 38.000 0.240 0.000 1.064 94 I HN -0.021 nan 8.210 nan 0.000 0.414 95 A N -0.842 122.094 122.820 0.192 0.000 2.220 95 A HA 0.067 4.386 4.320 -0.001 0.000 0.211 95 A C 0.726 178.381 177.584 0.118 0.000 1.176 95 A CA -0.081 52.079 52.037 0.205 0.000 0.834 95 A CB 0.141 19.331 19.000 0.316 0.000 0.868 95 A HN 0.212 nan 8.150 nan 0.000 0.488 96 K N -0.204 120.246 120.400 0.084 0.000 3.689 96 K HA -0.122 4.197 4.320 -0.001 0.000 0.276 96 K C -2.619 174.011 176.600 0.051 0.000 0.932 96 K CA 0.719 57.039 56.287 0.055 0.000 0.758 96 K CB -2.178 30.350 32.500 0.047 0.000 1.500 96 K HN 0.500 nan 8.250 nan 0.000 0.448 97 P HA 0.069 nan 4.420 nan 0.000 0.275 97 P C 0.846 178.154 177.300 0.013 0.000 1.228 97 P CA -0.142 62.983 63.100 0.041 0.000 0.786 97 P CB 0.979 32.700 31.700 0.035 0.000 0.927 98 S N 1.762 117.468 115.700 0.009 0.000 2.527 98 S HA 0.140 4.610 4.470 -0.001 0.000 0.222 98 S C 0.505 175.078 174.600 -0.046 0.000 0.985 98 S CA 0.199 58.392 58.200 -0.013 0.000 0.921 98 S CB -0.474 62.724 63.200 -0.004 0.000 0.772 98 S HN 0.415 nan 8.310 nan 0.000 0.529 99 L N -0.371 120.821 121.223 -0.053 0.000 2.710 99 L HA 0.634 4.973 4.340 -0.001 0.000 0.260 99 L C -2.134 174.682 176.870 -0.090 0.000 0.993 99 L CA -0.690 54.101 54.840 -0.082 0.000 0.877 99 L CB 1.928 43.923 42.059 -0.105 0.000 1.461 99 L HN 0.205 nan 8.230 nan 0.000 0.413 100 I N 3.752 124.241 120.570 -0.135 0.000 2.512 100 I HA 0.467 4.636 4.170 -0.001 0.000 0.287 100 I C -0.952 175.060 176.117 -0.174 0.000 1.069 100 I CA -0.404 60.771 61.300 -0.209 0.000 1.056 100 I CB 1.935 39.676 38.000 -0.432 0.000 1.229 100 I HN 0.374 nan 8.210 nan 0.000 0.429 101 I N 5.666 126.172 120.570 -0.106 0.000 2.328 101 I HA 0.434 4.603 4.170 -0.001 0.000 0.287 101 I C 0.361 176.458 176.117 -0.033 0.000 1.012 101 I CA -0.523 60.742 61.300 -0.058 0.000 1.195 101 I CB 1.701 39.682 38.000 -0.031 0.000 1.350 101 I HN 0.593 nan 8.210 nan 0.000 0.464 102 A N 6.793 129.598 122.820 -0.026 0.000 2.621 102 A HA 0.452 4.771 4.320 -0.001 0.000 0.329 102 A C 0.822 178.461 177.584 0.091 0.000 1.458 102 A CA -0.292 51.810 52.037 0.109 0.000 1.052 102 A CB -0.047 19.019 19.000 0.110 0.000 1.142 102 A HN 0.821 nan 8.150 nan 0.000 0.523 103 I N 0.493 121.098 120.570 0.059 0.000 2.353 103 I HA -0.068 4.101 4.170 -0.001 0.000 0.248 103 I C 0.981 177.096 176.117 -0.003 0.000 1.119 103 I CA 1.046 62.323 61.300 -0.038 0.000 1.417 103 I CB 0.153 38.068 38.000 -0.141 0.000 1.078 103 I HN 0.500 nan 8.210 nan 0.000 0.421 104 E N 0.873 121.102 120.200 0.048 0.000 2.254 104 E HA 0.142 4.491 4.350 -0.001 0.000 0.261 104 E C -0.339 176.434 176.600 0.288 0.000 1.051 104 E CA -0.539 55.916 56.400 0.093 0.000 0.902 104 E CB 0.504 30.186 29.700 -0.031 0.000 1.168 104 E HN 0.122 nan 8.360 nan 0.000 0.423 105 E N 1.223 121.560 120.200 0.228 0.000 2.366 105 E HA -0.017 4.333 4.350 -0.001 0.000 0.266 105 E C -0.972 175.811 176.600 0.305 0.000 1.015 105 E CA -0.131 56.400 56.400 0.219 0.000 0.906 105 E CB 0.268 30.038 29.700 0.117 0.000 0.979 105 E HN 0.196 nan 8.360 nan 0.000 0.443 106 F N 7.344 127.299 119.950 0.008 0.000 2.444 106 F HA 0.277 4.804 4.527 -0.001 0.000 0.360 106 F C -1.748 173.916 175.800 -0.228 0.000 1.106 106 F CA -2.533 55.301 58.000 -0.277 0.000 1.170 106 F CB 1.159 39.993 39.000 -0.276 0.000 1.113 106 F HN 0.424 nan 8.300 nan 0.000 0.521 107 P HA 0.221 nan 4.420 nan 0.000 0.249 107 P C -0.929 176.070 177.300 -0.502 0.000 1.544 107 P CA 0.549 63.374 63.100 -0.458 0.000 0.932 107 P CB 0.035 31.543 31.700 -0.321 0.000 1.524 108 L N -1.059 119.786 121.223 -0.630 0.000 2.469 108 L HA 0.486 4.826 4.340 -0.001 0.000 0.256 108 L C -0.564 176.242 176.870 -0.108 0.000 1.006 108 L CA -0.697 53.926 54.840 -0.361 0.000 0.832 108 L CB 2.691 44.491 42.059 -0.433 0.000 1.421 108 L HN -0.244 nan 8.230 nan 0.000 0.410 109 T N -0.023 114.511 114.554 -0.033 0.000 2.815 109 T HA 0.762 5.111 4.350 -0.001 0.000 0.289 109 T C -0.600 174.122 174.700 0.037 0.000 1.000 109 T CA -0.447 61.674 62.100 0.035 0.000 0.958 109 T CB 1.010 69.886 68.868 0.013 0.000 0.944 109 T HN 0.248 nan 8.240 nan 0.000 0.442 110 I N 2.101 122.714 120.570 0.071 0.000 2.530 110 I HA 0.434 4.604 4.170 -0.001 0.000 0.297 110 I C -0.323 175.811 176.117 0.027 0.000 1.011 110 I CA -1.171 60.157 61.300 0.047 0.000 1.107 110 I CB 2.002 40.041 38.000 0.064 0.000 1.285 110 I HN 0.523 nan 8.210 nan 0.000 0.436 111 E N 3.725 123.934 120.200 0.015 0.000 2.167 111 E HA 0.603 4.952 4.350 -0.001 0.000 0.284 111 E C 0.744 177.346 176.600 0.003 0.000 1.016 111 E CA -0.049 56.356 56.400 0.007 0.000 0.817 111 E CB 1.019 30.721 29.700 0.004 0.000 1.080 111 E HN 0.869 nan 8.360 nan 0.000 0.397 112 G N 3.014 111.813 108.800 -0.002 0.000 2.336 112 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.194 112 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.194 112 G C 0.005 174.898 174.900 -0.013 0.000 0.999 112 G CA -0.580 44.517 45.100 -0.006 0.000 0.669 112 G HN 0.433 nan 8.290 nan 0.000 0.482 113 I N 2.284 122.843 120.570 -0.018 0.000 2.362 113 I HA 0.460 4.629 4.170 -0.001 0.000 0.289 113 I C 0.447 176.535 176.117 -0.048 0.000 0.994 113 I CA -0.780 60.499 61.300 -0.034 0.000 1.158 113 I CB 1.729 39.705 38.000 -0.040 0.000 1.315 113 I HN 0.006 nan 8.210 nan 0.000 0.451 114 S N 5.848 121.516 115.700 -0.053 0.000 2.563 114 S HA 0.301 4.771 4.470 -0.001 0.000 0.284 114 S C -0.301 174.253 174.600 -0.078 0.000 1.331 114 S CA -0.125 58.041 58.200 -0.057 0.000 1.047 114 S CB 0.666 63.829 63.200 -0.061 0.000 0.859 114 S HN 0.445 nan 8.310 nan 0.000 0.514 115 L N 3.583 124.767 121.223 -0.065 0.000 2.410 115 L HA 0.664 5.003 4.340 -0.001 0.000 0.270 115 L C -1.305 175.542 176.870 -0.038 0.000 0.983 115 L CA -0.560 54.226 54.840 -0.089 0.000 0.822 115 L CB 1.536 43.534 42.059 -0.101 0.000 1.285 115 L HN 0.403 nan 8.230 nan 0.000 0.409 116 V N 3.489 123.385 119.914 -0.029 0.000 2.483 116 V HA 0.577 4.697 4.120 -0.001 0.000 0.295 116 V C 0.189 176.278 176.094 -0.010 0.000 1.035 116 V CA -0.300 62.018 62.300 0.029 0.000 0.896 116 V CB 1.886 33.784 31.823 0.125 0.000 0.986 116 V HN 0.918 nan 8.190 nan 0.000 0.447 117 S N 4.209 119.903 115.700 -0.010 0.000 2.722 117 S HA 0.465 4.934 4.470 -0.001 0.000 0.292 117 S C 0.803 175.372 174.600 -0.052 0.000 1.135 117 S CA -0.580 57.609 58.200 -0.018 0.000 1.003 117 S CB 1.451 64.646 63.200 -0.008 0.000 1.067 117 S HN 0.517 nan 8.310 nan 0.000 0.546 118 L N 1.830 123.027 121.223 -0.044 0.000 1.997 118 L HA -0.113 4.227 4.340 -0.001 0.000 0.216 118 L C 2.707 179.518 176.870 -0.098 0.000 1.074 118 L CA 2.671 57.467 54.840 -0.074 0.000 0.763 118 L CB -1.477 40.553 42.059 -0.048 0.000 0.890 118 L HN 1.003 nan 8.230 nan 0.000 0.434 119 S N -1.153 114.503 115.700 -0.073 0.000 2.383 119 S HA -0.223 4.246 4.470 -0.001 0.000 0.229 119 S C 1.823 176.355 174.600 -0.114 0.000 1.030 119 S CA 1.599 59.752 58.200 -0.078 0.000 1.002 119 S CB -0.375 62.795 63.200 -0.050 0.000 0.829 119 S HN 0.690 nan 8.310 nan 0.000 0.467 120 E N 0.314 120.438 120.200 -0.127 0.000 2.072 120 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 120 E C 2.081 178.441 176.600 -0.399 0.000 0.982 120 E CA 1.051 57.334 56.400 -0.196 0.000 0.803 120 E CB -0.161 29.478 29.700 -0.103 0.000 0.755 120 E HN 0.457 nan 8.360 nan 0.000 0.453 121 I N 1.768 122.120 120.570 -0.363 0.000 2.179 121 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 121 I C 2.326 178.250 176.117 -0.322 0.000 1.088 121 I CA 1.344 62.393 61.300 -0.419 0.000 1.357 121 I CB -1.021 36.808 38.000 -0.285 0.000 1.051 121 I HN 0.109 nan 8.210 nan 0.000 0.409 122 E N 0.788 120.855 120.200 -0.221 0.000 2.038 122 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 122 E C 2.370 178.872 176.600 -0.164 0.000 1.000 122 E CA 1.493 57.796 56.400 -0.163 0.000 0.803 122 E CB -0.260 29.370 29.700 -0.117 0.000 0.750 122 E HN 0.338 nan 8.360 nan 0.000 0.448 123 S N 0.819 116.418 115.700 -0.168 0.000 2.372 123 S HA -0.243 4.226 4.470 -0.001 0.000 0.227 123 S C 2.068 176.568 174.600 -0.166 0.000 1.044 123 S CA 1.474 59.588 58.200 -0.144 0.000 1.050 123 S CB -0.328 62.796 63.200 -0.127 0.000 0.901 123 S HN 0.450 nan 8.310 nan 0.000 0.447 124 A N 1.650 124.301 122.820 -0.281 0.000 1.908 124 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 124 A C 2.033 179.508 177.584 -0.181 0.000 1.181 124 A CA 1.690 53.553 52.037 -0.290 0.000 0.627 124 A CB -0.489 18.127 19.000 -0.640 0.000 0.818 124 A HN 0.532 nan 8.150 nan 0.000 0.445 125 K N -0.895 119.395 120.400 -0.183 0.000 2.026 125 K HA -0.097 4.222 4.320 -0.001 0.000 0.208 125 K C 1.553 178.107 176.600 -0.076 0.000 1.048 125 K CA 1.248 57.466 56.287 -0.115 0.000 0.929 125 K CB -0.407 32.033 32.500 -0.098 0.000 0.713 125 K HN 0.302 nan 8.250 nan 0.000 0.439 126 L N 0.788 121.963 121.223 -0.081 0.000 2.456 126 L HA -0.063 4.276 4.340 -0.001 0.000 0.224 126 L C 2.021 178.866 176.870 -0.042 0.000 1.148 126 L CA 1.088 55.894 54.840 -0.057 0.000 0.825 126 L CB -0.801 41.223 42.059 -0.059 0.000 0.937 126 L HN 0.152 nan 8.230 nan 0.000 0.450 127 A N -1.235 121.560 122.820 -0.043 0.000 2.132 127 A HA -0.012 4.307 4.320 -0.001 0.000 0.213 127 A C 0.990 178.571 177.584 -0.005 0.000 1.154 127 A CA 0.323 52.348 52.037 -0.019 0.000 0.753 127 A CB -0.214 18.780 19.000 -0.010 0.000 0.826 127 A HN 0.511 nan 8.150 nan 0.000 0.469 128 E N -1.074 119.121 120.200 -0.008 0.000 2.416 128 E HA -0.192 4.157 4.350 -0.001 0.000 0.249 128 E C -0.432 176.183 176.600 0.026 0.000 1.124 128 E CA 0.395 56.798 56.400 0.006 0.000 0.732 128 E CB -1.861 27.842 29.700 0.005 0.000 1.286 128 E HN 0.734 nan 8.360 nan 0.000 0.394 129 M N 1.279 120.900 119.600 0.036 0.000 2.245 129 M HA 0.166 4.646 4.480 -0.001 0.000 0.344 129 M C -1.514 174.837 176.300 0.085 0.000 1.170 129 M CA -0.984 54.354 55.300 0.063 0.000 1.135 129 M CB -0.028 32.620 32.600 0.081 0.000 1.574 129 M HN -0.044 nan 8.290 nan 0.000 0.452 130 P HA 0.252 nan 4.420 nan 0.000 0.279 130 P C -1.756 175.670 177.300 0.211 0.000 1.282 130 P CA -0.177 62.992 63.100 0.115 0.000 0.788 130 P CB 0.809 32.554 31.700 0.075 0.000 1.139 131 Y N -1.462 118.850 120.300 0.021 0.000 2.480 131 Y HA 0.340 4.889 4.550 -0.001 0.000 0.329 131 Y C -1.179 174.729 175.900 0.012 0.000 1.127 131 Y CA -0.656 57.454 58.100 0.017 0.000 1.037 131 Y CB 1.948 40.416 38.460 0.013 0.000 1.320 131 Y HN 0.379 nan 8.280 nan 0.000 0.446 132 E N 5.339 125.187 120.200 -0.586 0.000 2.220 132 E HA 0.411 4.761 4.350 -0.001 0.000 0.256 132 E C -1.102 175.144 176.600 -0.591 0.000 0.881 132 E CA -0.893 55.277 56.400 -0.383 0.000 0.766 132 E CB 0.887 30.454 29.700 -0.220 0.000 1.187 132 E HN 0.654 nan 8.360 nan 0.000 0.419 133 R N 1.766 122.069 120.500 -0.327 0.000 2.522 133 R HA 0.085 4.424 4.340 -0.001 0.000 0.284 133 R C 0.863 177.059 176.300 -0.174 0.000 1.032 133 R CA 0.840 56.809 56.100 -0.217 0.000 1.049 133 R CB 0.404 30.699 30.300 -0.007 0.000 0.956 133 R HN 0.584 nan 8.270 nan 0.000 0.422 134 T N -2.741 111.711 114.554 -0.170 0.000 3.029 134 T HA 0.025 4.374 4.350 -0.001 0.000 0.256 134 T C 0.546 175.297 174.700 0.086 0.000 0.914 134 T CA -0.345 61.749 62.100 -0.010 0.000 0.880 134 T CB 0.276 69.191 68.868 0.078 0.000 1.246 134 T HN 0.808 nan 8.240 nan 0.000 0.523 135 H N 0.120 119.192 119.070 0.003 0.000 2.907 135 H HA 0.543 5.098 4.556 -0.001 0.000 0.233 135 H C -0.740 174.595 175.328 0.012 0.000 1.285 135 H CA -0.697 55.351 56.048 -0.000 0.000 0.981 135 H CB -0.416 29.336 29.762 -0.016 0.000 2.255 135 H HN 0.056 nan 8.280 nan 0.000 0.601 136 S N 1.430 117.086 115.700 -0.073 0.000 2.566 136 S HA 0.036 4.505 4.470 -0.001 0.000 0.280 136 S C 0.932 175.542 174.600 0.017 0.000 1.343 136 S CA -0.008 58.178 58.200 -0.024 0.000 1.036 136 S CB 1.549 64.770 63.200 0.035 0.000 0.866 136 S HN 0.489 nan 8.310 nan 0.000 0.526 137 V N 2.605 122.527 119.914 0.013 0.000 2.529 137 V HA 0.381 4.500 4.120 -0.001 0.000 0.292 137 V C -0.218 175.986 176.094 0.183 0.000 1.028 137 V CA 0.509 62.837 62.300 0.046 0.000 1.074 137 V CB -0.036 31.762 31.823 -0.042 0.000 0.958 137 V HN 0.768 nan 8.190 nan 0.000 0.481 138 K N 4.411 124.881 120.400 0.116 0.000 2.482 138 K HA 0.733 5.052 4.320 -0.001 0.000 0.257 138 K C 0.788 177.419 176.600 0.051 0.000 0.969 138 K CA -0.234 56.090 56.287 0.063 0.000 0.842 138 K CB 1.881 34.384 32.500 0.005 0.000 1.359 138 K HN 1.108 nan 8.250 nan 0.000 0.441 139 G N 1.785 110.587 108.800 0.004 0.000 2.692 139 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.339 139 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.339 139 G C 0.298 175.227 174.900 0.049 0.000 1.226 139 G CA 1.031 46.139 45.100 0.014 0.000 0.979 139 G HN 0.743 nan 8.290 nan 0.000 0.549 140 D N 2.397 122.809 120.400 0.021 0.000 2.340 140 D HA 0.195 4.834 4.640 -0.001 0.000 0.220 140 D C 0.361 176.662 176.300 0.002 0.000 1.039 140 D CA 0.324 54.327 54.000 0.006 0.000 0.866 140 D CB -0.158 40.632 40.800 -0.016 0.000 0.913 140 D HN 0.363 nan 8.370 nan 0.000 0.523 141 D N 1.566 121.981 120.400 0.024 0.000 2.455 141 D HA -0.012 4.628 4.640 -0.001 0.000 0.241 141 D C 0.577 176.883 176.300 0.009 0.000 1.138 141 D CA 0.105 54.112 54.000 0.011 0.000 0.877 141 D CB 0.384 41.197 40.800 0.022 0.000 1.187 141 D HN -0.099 nan 8.370 nan 0.000 0.451 142 N N 1.684 120.360 118.700 -0.039 0.000 2.357 142 N HA -0.130 4.609 4.740 -0.001 0.000 0.257 142 N C 0.513 175.986 175.510 -0.061 0.000 1.250 142 N CA 0.340 53.343 53.050 -0.078 0.000 0.862 142 N CB 0.431 38.860 38.487 -0.098 0.000 1.066 142 N HN 0.496 nan 8.380 nan 0.000 0.468 143 Y N 2.452 122.615 120.300 -0.227 0.000 2.353 143 Y HA 0.061 4.610 4.550 -0.001 0.000 0.294 143 Y C 0.021 175.705 175.900 -0.360 0.000 1.135 143 Y CA 0.615 58.596 58.100 -0.198 0.000 1.176 143 Y CB 0.363 38.733 38.460 -0.149 0.000 1.124 143 Y HN 0.656 nan 8.280 nan 0.000 0.537 144 Y N -1.844 118.313 120.300 -0.239 0.000 2.625 144 Y HA 0.647 5.196 4.550 -0.001 0.000 0.338 144 Y C -1.772 173.959 175.900 -0.282 0.000 1.123 144 Y CA -2.367 55.388 58.100 -0.575 0.000 1.046 144 Y CB 0.810 38.706 38.460 -0.940 0.000 1.299 144 Y HN -0.206 nan 8.280 nan 0.000 0.464 145 I N 3.310 123.865 120.570 -0.024 0.000 2.439 145 I HA 0.425 4.594 4.170 -0.001 0.000 0.285 145 I C -0.928 175.242 176.117 0.089 0.000 1.021 145 I CA -0.391 60.883 61.300 -0.043 0.000 1.091 145 I CB 1.551 39.510 38.000 -0.070 0.000 1.242 145 I HN 0.540 nan 8.210 nan 0.000 0.439 146 I N 5.541 126.171 120.570 0.101 0.000 2.460 146 I HA 0.403 4.572 4.170 -0.001 0.000 0.298 146 I C -0.795 175.321 176.117 -0.002 0.000 0.989 146 I CA -0.551 60.850 61.300 0.167 0.000 1.173 146 I CB 1.564 39.708 38.000 0.239 0.000 1.338 146 I HN 0.321 nan 8.210 nan 0.000 0.456 147 F N 3.449 123.493 119.950 0.156 0.000 2.421 147 F HA 0.451 4.977 4.527 -0.001 0.000 0.337 147 F C 0.624 176.498 175.800 0.123 0.000 1.105 147 F CA -0.028 58.050 58.000 0.129 0.000 1.049 147 F CB 1.877 40.945 39.000 0.114 0.000 1.139 147 F HN 0.314 nan 8.300 nan 0.000 0.479 148 T N 1.296 115.996 114.554 0.244 0.000 2.883 148 T HA 0.807 5.156 4.350 -0.001 0.000 0.284 148 T C -0.954 173.826 174.700 0.133 0.000 1.041 148 T CA -0.640 61.560 62.100 0.167 0.000 1.007 148 T CB 1.760 70.707 68.868 0.132 0.000 1.220 148 T HN 0.686 nan 8.240 nan 0.000 0.552 154 Q N 0.454 120.269 119.800 0.025 0.000 2.340 154 Q HA 0.608 4.947 4.340 -0.001 0.000 0.249 154 Q C -2.196 173.829 176.000 0.042 0.000 0.957 154 Q CA -1.103 54.717 55.803 0.028 0.000 0.882 154 Q CB 1.276 30.024 28.738 0.017 0.000 1.235 154 Q HN 0.357 nan 8.270 nan 0.000 0.439 155 P HA 0.274 nan 4.420 nan 0.000 0.292 155 P C -1.779 175.648 177.300 0.212 0.000 1.287 155 P CA -0.515 62.678 63.100 0.155 0.000 0.800 155 P CB 0.993 32.787 31.700 0.156 0.000 0.945 156 K N 0.843 121.342 120.400 0.166 0.000 2.375 156 K HA 0.751 5.070 4.320 -0.001 0.000 0.249 156 K C -0.035 176.450 176.600 -0.193 0.000 0.942 156 K CA -1.065 55.227 56.287 0.009 0.000 0.806 156 K CB 1.800 34.074 32.500 -0.376 0.000 1.227 156 K HN 0.371 nan 8.250 nan 0.000 0.430 157 G N 1.473 109.996 108.800 -0.461 0.000 2.547 157 G HA2 0.379 4.338 3.960 -0.001 0.000 0.327 157 G HA3 0.379 4.338 3.960 -0.001 0.000 0.327 157 G C -0.510 174.197 174.900 -0.321 0.000 1.118 157 G CA -0.606 43.849 45.100 -1.075 0.000 1.022 157 G HN 0.345 nan 8.290 nan 0.000 0.464 158 V N 3.079 122.889 119.914 -0.173 0.000 2.479 158 V HA 0.096 4.215 4.120 -0.001 0.000 0.281 158 V C 0.316 176.302 176.094 -0.180 0.000 1.031 158 V CA 0.032 62.303 62.300 -0.049 0.000 1.038 158 V CB 0.671 32.503 31.823 0.015 0.000 0.981 158 V HN 0.727 nan 8.190 nan 0.000 0.478 159 Q N 5.185 124.854 119.800 -0.219 0.000 2.278 159 Q HA 0.555 4.894 4.340 -0.001 0.000 0.257 159 Q C -0.948 174.866 176.000 -0.310 0.000 0.928 159 Q CA -0.462 55.186 55.803 -0.258 0.000 0.932 159 Q CB 1.963 30.573 28.738 -0.214 0.000 1.221 159 Q HN 0.505 nan 8.270 nan 0.000 0.434 160 I N 2.447 122.743 120.570 -0.456 0.000 2.389 160 I HA 0.219 4.389 4.170 -0.001 0.000 0.288 160 I C 0.439 176.329 176.117 -0.377 0.000 0.999 160 I CA -0.374 60.627 61.300 -0.498 0.000 1.129 160 I CB 1.457 38.928 38.000 -0.883 0.000 1.288 160 I HN 0.662 nan 8.210 nan 0.000 0.444 161 S N 4.265 119.851 115.700 -0.188 0.000 2.669 161 S HA 0.254 4.723 4.470 -0.001 0.000 0.270 161 S C 1.288 175.935 174.600 0.079 0.000 1.225 161 S CA -0.137 58.041 58.200 -0.037 0.000 0.991 161 S CB 1.054 64.248 63.200 -0.010 0.000 0.987 161 S HN 0.708 nan 8.310 nan 0.000 0.552 162 H N 0.460 119.617 119.070 0.144 0.000 2.319 162 H HA -0.134 4.422 4.556 -0.001 0.000 0.297 162 H C 1.185 176.558 175.328 0.075 0.000 1.097 162 H CA 2.267 58.443 56.048 0.215 0.000 1.285 162 H CB -0.092 29.829 29.762 0.265 0.000 1.368 162 H HN 0.701 nan 8.280 nan 0.000 0.495 163 D N -0.114 120.413 120.400 0.211 0.000 2.104 163 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 163 D C 1.897 178.239 176.300 0.069 0.000 0.994 163 D CA 0.975 55.037 54.000 0.103 0.000 0.830 163 D CB -0.424 40.405 40.800 0.048 0.000 0.959 163 D HN 0.445 nan 8.370 nan 0.000 0.452 164 N N 0.588 119.304 118.700 0.026 0.000 2.061 164 N HA -0.172 4.568 4.740 -0.001 0.000 0.193 164 N C 1.961 177.488 175.510 0.028 0.000 1.030 164 N CA 0.560 53.607 53.050 -0.004 0.000 0.856 164 N CB -0.620 37.821 38.487 -0.076 0.000 1.023 164 N HN 0.179 nan 8.380 nan 0.000 0.424 165 L N 1.447 122.669 121.223 -0.001 0.000 2.046 165 L HA -0.043 4.296 4.340 -0.001 0.000 0.208 165 L C 2.159 179.080 176.870 0.085 0.000 1.077 165 L CA 1.241 56.077 54.840 -0.007 0.000 0.747 165 L CB -0.555 41.376 42.059 -0.213 0.000 0.896 165 L HN 0.132 nan 8.230 nan 0.000 0.432 166 L N -1.497 119.793 121.223 0.113 0.000 2.093 166 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 166 L C 2.695 179.616 176.870 0.085 0.000 1.085 166 L CA 1.402 56.309 54.840 0.111 0.000 0.755 166 L CB -0.766 41.373 42.059 0.133 0.000 0.904 166 L HN 0.397 nan 8.230 nan 0.000 0.435 167 S N 0.154 115.908 115.700 0.090 0.000 2.353 167 S HA -0.275 4.195 4.470 -0.001 0.000 0.222 167 S C 2.015 176.693 174.600 0.130 0.000 1.035 167 S CA 1.676 59.926 58.200 0.083 0.000 1.025 167 S CB -0.408 62.826 63.200 0.057 0.000 0.902 167 S HN 0.419 nan 8.310 nan 0.000 0.440 168 F N 1.982 121.952 119.950 0.034 0.000 2.075 168 F HA -0.098 4.428 4.527 -0.002 0.000 0.297 168 F C 2.413 178.272 175.800 0.098 0.000 1.113 168 F CA 2.275 60.332 58.000 0.095 0.000 1.218 168 F CB -1.022 37.979 39.000 0.002 0.000 0.984 168 F HN 0.219 nan 8.300 nan 0.000 0.472 169 T N 0.766 115.217 114.554 -0.170 0.000 2.777 169 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 169 T C 1.756 176.295 174.700 -0.267 0.000 1.040 169 T CA 1.369 63.266 62.100 -0.339 0.000 1.141 169 T CB -0.477 68.325 68.868 -0.110 0.000 0.868 169 T HN 0.283 nan 8.240 nan 0.000 0.444 170 N N 0.167 118.810 118.700 -0.096 0.000 2.104 170 N HA -0.119 4.620 4.740 -0.001 0.000 0.190 170 N C 1.539 177.036 175.510 -0.022 0.000 1.024 170 N CA 1.278 54.303 53.050 -0.041 0.000 0.853 170 N CB -0.350 38.150 38.487 0.022 0.000 1.008 170 N HN 0.591 nan 8.380 nan 0.000 0.424 171 W N 1.820 122.997 121.300 -0.205 0.000 2.378 171 W HA -0.050 4.609 4.660 -0.001 0.000 0.313 171 W C 2.473 178.847 176.519 -0.242 0.000 1.197 171 W CA 1.268 58.510 57.345 -0.172 0.000 1.304 171 W CB -0.702 28.686 29.460 -0.120 0.000 1.148 171 W HN -0.046 nan 8.180 nan 0.000 0.494 172 M N 0.983 120.145 119.600 -0.729 0.000 2.082 172 M HA -0.249 4.230 4.480 -0.001 0.000 0.258 172 M C 2.024 177.903 176.300 -0.703 0.000 1.069 172 M CA 2.948 57.557 55.300 -1.152 0.000 1.102 172 M CB -0.691 31.004 32.600 -1.507 0.000 1.336 172 M HN 0.339 nan 8.290 nan 0.000 0.404 173 I N -2.868 117.426 120.570 -0.460 0.000 3.251 173 I HA -0.015 4.155 4.170 -0.001 0.000 0.277 173 I C 1.152 177.156 176.117 -0.188 0.000 1.268 173 I CA 0.736 61.867 61.300 -0.282 0.000 1.449 173 I CB -0.353 37.534 38.000 -0.188 0.000 1.083 173 I HN 0.167 nan 8.210 nan 0.000 0.464 174 E N 1.169 121.254 120.200 -0.191 0.000 2.476 174 E HA 0.094 4.444 4.350 -0.001 0.000 0.199 174 E C -0.211 176.312 176.600 -0.128 0.000 1.021 174 E CA 0.146 56.478 56.400 -0.114 0.000 0.907 174 E CB 0.087 29.755 29.700 -0.052 0.000 0.974 174 E HN 0.579 nan 8.360 nan 0.000 0.489 175 D N -0.011 120.243 120.400 -0.242 0.000 2.389 175 D HA 0.175 4.814 4.640 -0.001 0.000 0.247 175 D C 1.043 177.273 176.300 -0.116 0.000 1.128 175 D CA 0.216 54.078 54.000 -0.229 0.000 0.884 175 D CB 1.259 41.757 40.800 -0.504 0.000 1.194 175 D HN -0.029 nan 8.370 nan 0.000 0.441 176 A N 3.556 126.330 122.820 -0.075 0.000 2.014 176 A HA 0.098 4.417 4.320 -0.001 0.000 0.218 176 A C 2.035 179.603 177.584 -0.027 0.000 1.163 176 A CA 1.332 53.346 52.037 -0.038 0.000 0.652 176 A CB -0.601 18.376 19.000 -0.037 0.000 0.808 176 A HN 0.658 nan 8.150 nan 0.000 0.449 177 A N -0.757 122.015 122.820 -0.080 0.000 1.872 177 A HA 0.058 4.377 4.320 -0.001 0.000 0.214 177 A C 1.926 179.424 177.584 -0.144 0.000 1.187 177 A CA 1.286 53.257 52.037 -0.110 0.000 0.614 177 A CB -0.741 18.160 19.000 -0.164 0.000 0.826 177 A HN 0.464 nan 8.150 nan 0.000 0.442 178 F N -0.538 119.304 119.950 -0.180 0.000 2.171 178 F HA -0.071 4.455 4.527 -0.001 0.000 0.300 178 F C 1.101 176.870 175.800 -0.051 0.000 1.090 178 F CA 1.273 59.109 58.000 -0.273 0.000 1.293 178 F CB -0.359 38.256 39.000 -0.641 0.000 1.013 178 F HN 0.376 nan 8.300 nan 0.000 0.486 179 D N 0.600 121.061 120.400 0.103 0.000 2.697 179 D HA -0.178 4.461 4.640 -0.001 0.000 0.235 179 D C -0.697 175.598 176.300 -0.008 0.000 1.167 179 D CA 0.013 54.066 54.000 0.088 0.000 0.656 179 D CB -0.901 40.029 40.800 0.215 0.000 1.025 179 D HN -0.064 nan 8.370 nan 0.000 0.419 180 V N 2.021 121.916 119.914 -0.032 0.000 2.479 180 V HA 0.272 4.391 4.120 -0.001 0.000 0.281 180 V C -0.956 175.104 176.094 -0.057 0.000 1.031 180 V CA -0.767 61.492 62.300 -0.067 0.000 1.038 180 V CB 0.517 32.296 31.823 -0.074 0.000 0.981 180 V HN 0.336 nan 8.190 nan 0.000 0.478 181 P HA 0.181 nan 4.420 nan 0.000 0.272 181 P C -0.216 177.073 177.300 -0.017 0.000 1.223 181 P CA -0.579 62.512 63.100 -0.016 0.000 0.784 181 P CB 0.649 32.353 31.700 0.006 0.000 0.923 182 K N 1.590 121.982 120.400 -0.014 0.000 2.561 182 K HA -0.110 4.209 4.320 -0.001 0.000 0.280 182 K C 0.602 177.175 176.600 -0.045 0.000 0.975 182 K CA 0.683 56.949 56.287 -0.035 0.000 1.024 182 K CB -0.158 32.321 32.500 -0.036 0.000 0.883 182 K HN 0.497 nan 8.250 nan 0.000 0.496 183 Q N -0.658 119.079 119.800 -0.106 0.000 2.423 183 Q HA -0.187 4.152 4.340 -0.001 0.000 0.332 183 Q C -2.156 173.883 176.000 0.064 0.000 1.355 183 Q CA -0.068 55.671 55.803 -0.107 0.000 0.947 183 Q CB -1.451 27.142 28.738 -0.241 0.000 1.189 183 Q HN 0.441 nan 8.270 nan 0.000 0.418 184 P HA -0.087 nan 4.420 nan 0.000 0.269 184 P C -0.313 177.080 177.300 0.155 0.000 1.209 184 P CA 0.510 63.656 63.100 0.077 0.000 0.776 184 P CB 0.651 32.377 31.700 0.044 0.000 0.876 185 Q N 2.527 122.411 119.800 0.141 0.000 2.563 185 Q HA 0.373 4.712 4.340 -0.001 0.000 0.232 185 Q C -0.088 175.990 176.000 0.129 0.000 1.106 185 Q CA -0.053 55.891 55.803 0.235 0.000 0.913 185 Q CB 0.560 29.399 28.738 0.167 0.000 1.175 185 Q HN 0.534 nan 8.270 nan 0.000 0.540 186 M N 2.311 122.027 119.600 0.192 0.000 2.157 186 M HA 0.250 4.729 4.480 -0.001 0.000 0.354 186 M C 0.065 176.379 176.300 0.023 0.000 1.170 186 M CA -1.106 54.232 55.300 0.064 0.000 1.060 186 M CB 1.162 33.822 32.600 0.100 0.000 1.615 186 M HN 0.340 nan 8.290 nan 0.000 0.460 187 L N 3.433 124.581 121.223 -0.125 0.000 2.514 187 L HA 0.134 4.474 4.340 -0.001 0.000 0.280 187 L C 0.264 176.838 176.870 -0.493 0.000 1.223 187 L CA 0.803 55.497 54.840 -0.244 0.000 0.864 187 L CB 0.691 42.549 42.059 -0.336 0.000 1.118 187 L HN 0.860 nan 8.230 nan 0.000 0.494 188 A N 5.105 127.554 122.820 -0.619 0.000 3.219 188 A HA 0.223 4.542 4.320 -0.001 0.000 0.314 188 A C 0.820 177.966 177.584 -0.730 0.000 1.081 188 A CA -0.411 50.907 52.037 -1.199 0.000 0.995 188 A CB -0.092 18.386 19.000 -0.869 0.000 1.067 188 A HN 0.864 nan 8.150 nan 0.000 0.533 189 Q N 0.648 120.111 119.800 -0.561 0.000 2.061 189 Q HA 0.065 4.404 4.340 -0.001 0.000 0.195 189 Q C -1.650 174.187 176.000 -0.272 0.000 0.967 189 Q CA 0.728 56.272 55.803 -0.431 0.000 0.829 189 Q CB -0.817 27.542 28.738 -0.632 0.000 0.900 189 Q HN 0.435 nan 8.270 nan 0.000 0.450 190 P HA 0.057 nan 4.420 nan 0.000 0.265 190 P C -2.475 174.851 177.300 0.044 0.000 1.193 190 P CA -0.537 62.590 63.100 0.044 0.000 0.765 190 P CB 0.232 31.998 31.700 0.110 0.000 0.823 191 P HA 0.018 nan 4.420 nan 0.000 0.272 191 P C 0.131 177.472 177.300 0.068 0.000 1.223 191 P CA 0.037 63.169 63.100 0.054 0.000 0.784 191 P CB 0.510 32.294 31.700 0.141 0.000 0.923 192 Y N 0.314 120.732 120.300 0.197 0.000 2.497 192 Y HA -0.136 4.413 4.550 -0.001 0.000 0.292 192 Y C 2.480 178.459 175.900 0.132 0.000 1.137 192 Y CA 1.775 59.976 58.100 0.169 0.000 1.285 192 Y CB -0.822 37.792 38.460 0.255 0.000 0.991 192 Y HN 0.358 nan 8.280 nan 0.000 0.556 193 S N -1.178 114.705 115.700 0.306 0.000 2.603 193 S HA 0.012 4.481 4.470 -0.001 0.000 0.220 193 S C 0.044 174.836 174.600 0.320 0.000 0.967 193 S CA -0.161 58.207 58.200 0.280 0.000 0.920 193 S CB -0.472 62.878 63.200 0.250 0.000 0.773 193 S HN 0.167 nan 8.310 nan 0.000 0.529 194 F N 3.844 123.845 119.950 0.084 0.000 2.482 194 F HA 0.442 4.968 4.527 -0.001 0.000 0.331 194 F C 0.527 176.325 175.800 -0.002 0.000 1.115 194 F CA -2.413 55.619 58.000 0.052 0.000 0.955 194 F CB 1.681 40.707 39.000 0.043 0.000 1.136 194 F HN 0.054 nan 8.300 nan 0.000 0.452 195 D N 4.406 124.727 120.400 -0.132 0.000 2.371 195 D HA -0.164 4.475 4.640 -0.001 0.000 0.221 195 D C 1.731 177.678 176.300 -0.589 0.000 0.986 195 D CA 0.615 54.427 54.000 -0.313 0.000 0.899 195 D CB -0.250 40.461 40.800 -0.148 0.000 0.902 195 D HN 0.513 nan 8.370 nan 0.000 0.530 196 L N 1.505 122.092 121.223 -1.059 0.000 2.187 196 L HA -0.149 4.190 4.340 -0.001 0.000 0.213 196 L C 2.185 178.729 176.870 -0.544 0.000 1.100 196 L CA 1.800 56.148 54.840 -0.819 0.000 0.765 196 L CB -1.027 40.403 42.059 -1.048 0.000 0.904 196 L HN 0.191 nan 8.230 nan 0.000 0.437 197 S N -2.142 113.249 115.700 -0.516 0.000 2.400 197 S HA -0.174 4.295 4.470 -0.001 0.000 0.232 197 S C 1.929 176.021 174.600 -0.847 0.000 1.025 197 S CA 1.316 59.119 58.200 -0.662 0.000 0.993 197 S CB -1.251 61.740 63.200 -0.348 0.000 0.808 197 S HN 0.270 nan 8.310 nan 0.000 0.478 198 V N 2.012 121.569 119.914 -0.595 0.000 2.490 198 V HA -0.135 3.984 4.120 -0.001 0.000 0.250 198 V C 2.514 178.197 176.094 -0.685 0.000 1.061 198 V CA 2.067 63.830 62.300 -0.894 0.000 1.064 198 V CB -0.864 30.506 31.823 -0.755 0.000 0.670 198 V HN 0.568 nan 8.190 nan 0.000 0.461 199 M N -0.185 119.156 119.600 -0.433 0.000 2.446 199 M HA -0.193 4.286 4.480 -0.001 0.000 0.263 199 M C 1.900 178.168 176.300 -0.053 0.000 1.066 199 M CA 1.905 57.133 55.300 -0.120 0.000 1.087 199 M CB -0.038 32.551 32.600 -0.017 0.000 1.406 199 M HN 0.704 nan 8.290 nan 0.000 0.459 200 Y N -2.271 117.995 120.300 -0.057 0.000 2.539 200 Y HA 0.095 4.644 4.550 -0.001 0.000 0.284 200 Y C 2.024 177.975 175.900 0.085 0.000 1.134 200 Y CA -0.056 58.058 58.100 0.023 0.000 1.251 200 Y CB -1.679 36.805 38.460 0.041 0.000 1.260 200 Y HN 0.404 nan 8.280 nan 0.000 0.528 201 W N 1.831 123.061 121.300 -0.116 0.000 2.436 201 W HA 0.190 4.849 4.660 -0.002 0.000 0.284 201 W C 1.743 178.339 176.519 0.129 0.000 1.225 201 W CA 1.120 58.561 57.345 0.161 0.000 1.271 201 W CB -0.870 28.720 29.460 0.216 0.000 1.114 201 W HN 0.180 nan 8.180 nan 0.000 0.559 202 A N 3.322 125.737 122.820 -0.675 0.000 1.832 202 A HA -0.106 4.213 4.320 -0.001 0.000 0.214 202 A C 0.430 177.926 177.584 -0.146 0.000 1.204 202 A CA 1.814 53.478 52.037 -0.620 0.000 0.606 202 A CB -2.163 16.373 19.000 -0.773 0.000 0.849 202 A HN 0.167 nan 8.150 nan 0.000 0.445 203 P HA -0.170 nan 4.420 nan 0.000 0.216 203 P C 1.369 178.682 177.300 0.023 0.000 1.150 203 P CA 2.047 65.090 63.100 -0.095 0.000 0.843 203 P CB -0.441 31.175 31.700 -0.140 0.000 0.787 204 T N 1.070 115.687 114.554 0.105 0.000 2.668 204 T HA -0.069 4.280 4.350 -0.001 0.000 0.262 204 T C 2.028 176.849 174.700 0.201 0.000 1.045 204 T CA 1.089 63.290 62.100 0.168 0.000 1.152 204 T CB -0.925 68.096 68.868 0.255 0.000 0.864 204 T HN 0.059 nan 8.240 nan 0.000 0.419 205 L N 0.823 122.230 121.223 0.306 0.000 2.187 205 L HA -0.108 4.231 4.340 -0.001 0.000 0.213 205 L C 2.866 179.932 176.870 0.328 0.000 1.100 205 L CA 1.055 56.123 54.840 0.380 0.000 0.765 205 L CB -0.616 41.736 42.059 0.488 0.000 0.904 205 L HN 0.272 nan 8.230 nan 0.000 0.437 206 A N -0.723 122.242 122.820 0.240 0.000 2.119 206 A HA 0.024 4.343 4.320 -0.001 0.000 0.217 206 A C 1.876 179.633 177.584 0.289 0.000 1.153 206 A CA 0.906 53.099 52.037 0.261 0.000 0.692 206 A CB -0.102 18.973 19.000 0.124 0.000 0.799 206 A HN 0.447 nan 8.150 nan 0.000 0.458 207 L N -1.937 119.321 121.223 0.059 0.000 3.016 207 L HA 0.305 4.644 4.340 -0.001 0.000 0.267 207 L C 1.242 177.783 176.870 -0.549 0.000 1.182 207 L CA 0.334 55.139 54.840 -0.058 0.000 0.997 207 L CB 0.452 42.492 42.059 -0.033 0.000 1.354 207 L HN 0.463 nan 8.230 nan 0.000 0.569 208 G N 0.731 108.858 108.800 -1.122 0.000 2.198 208 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.257 208 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.257 208 G C 0.504 175.124 174.900 -0.468 0.000 1.042 208 G CA 0.129 44.302 45.100 -1.544 0.000 0.791 208 G HN 0.493 nan 8.290 nan 0.000 0.502 209 G N -1.370 107.407 108.800 -0.037 0.000 2.509 209 G HA2 0.741 4.700 3.960 -0.001 0.000 0.269 209 G HA3 0.741 4.700 3.960 -0.001 0.000 0.269 209 G C -0.103 175.030 174.900 0.389 0.000 1.416 209 G CA 0.428 45.656 45.100 0.214 0.000 1.052 209 G HN 0.812 nan 8.290 nan 0.000 0.542 210 T N 0.025 114.753 114.554 0.290 0.000 2.893 210 T HA 0.536 4.886 4.350 -0.001 0.000 0.293 210 T C -0.433 174.280 174.700 0.022 0.000 1.027 210 T CA -0.305 61.850 62.100 0.092 0.000 0.988 210 T CB 1.644 70.469 68.868 -0.072 0.000 1.043 210 T HN 0.313 nan 8.240 nan 0.000 0.461 211 L N 2.254 123.392 121.223 -0.143 0.000 2.322 211 L HA 0.613 4.952 4.340 -0.001 0.000 0.279 211 L C -0.982 175.595 176.870 -0.488 0.000 1.036 211 L CA -0.888 53.868 54.840 -0.140 0.000 0.807 211 L CB 1.016 43.062 42.059 -0.021 0.000 1.226 211 L HN 0.625 nan 8.230 nan 0.000 0.433 212 F N 1.761 121.514 119.950 -0.329 0.000 2.366 212 F HA 0.537 5.063 4.527 -0.001 0.000 0.366 212 F C 0.624 176.185 175.800 -0.399 0.000 1.096 212 F CA -0.545 57.241 58.000 -0.356 0.000 1.060 212 F CB 1.358 40.218 39.000 -0.233 0.000 1.282 212 F HN 0.486 nan 8.300 nan 0.000 0.450 213 A N 4.020 126.595 122.820 -0.409 0.000 2.257 213 A HA 0.873 5.192 4.320 -0.001 0.000 0.289 213 A C -0.730 176.770 177.584 -0.139 0.000 1.095 213 A CA -0.452 51.423 52.037 -0.269 0.000 0.836 213 A CB 0.733 19.612 19.000 -0.202 0.000 1.111 213 A HN 0.738 nan 8.150 nan 0.000 0.497 214 L N 0.273 121.444 121.223 -0.088 0.000 2.354 214 L HA 0.463 4.802 4.340 -0.001 0.000 0.269 214 L C -2.335 174.530 176.870 -0.008 0.000 1.005 214 L CA -1.895 52.917 54.840 -0.047 0.000 0.819 214 L CB 1.973 43.992 42.059 -0.067 0.000 1.311 214 L HN 0.433 nan 8.230 nan 0.000 0.423 215 P HA 0.123 nan 4.420 nan 0.000 0.271 215 P C 0.323 177.637 177.300 0.023 0.000 1.216 215 P CA -0.368 62.743 63.100 0.017 0.000 0.771 215 P CB 0.711 32.417 31.700 0.012 0.000 0.864 216 K N 2.425 122.844 120.400 0.032 0.000 2.127 216 K HA -0.292 4.027 4.320 -0.001 0.000 0.222 216 K C 1.414 178.064 176.600 0.082 0.000 1.034 216 K CA 2.313 58.634 56.287 0.056 0.000 0.955 216 K CB -0.090 32.421 32.500 0.018 0.000 0.786 216 K HN 0.657 nan 8.250 nan 0.000 0.465 217 E N 0.462 120.686 120.200 0.040 0.000 2.489 217 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 217 E C 1.757 178.349 176.600 -0.013 0.000 1.057 217 E CA 0.400 56.815 56.400 0.025 0.000 0.866 217 E CB -0.113 29.595 29.700 0.013 0.000 0.916 217 E HN 0.392 nan 8.360 nan 0.000 0.500 218 L N 0.973 122.185 121.223 -0.018 0.000 2.599 218 L HA 0.008 4.348 4.340 -0.001 0.000 0.230 218 L C 2.235 179.056 176.870 -0.082 0.000 1.141 218 L CA -0.046 54.763 54.840 -0.052 0.000 0.877 218 L CB 0.058 42.092 42.059 -0.042 0.000 1.009 218 L HN 0.021 nan 8.230 nan 0.000 0.447 219 V N 0.326 120.201 119.914 -0.065 0.000 2.392 219 V HA -0.190 3.929 4.120 -0.001 0.000 0.249 219 V C 1.436 177.432 176.094 -0.164 0.000 1.059 219 V CA 1.854 64.100 62.300 -0.091 0.000 1.051 219 V CB -0.021 31.712 31.823 -0.151 0.000 0.658 219 V HN 0.436 nan 8.190 nan 0.000 0.455 220 A N -0.330 122.325 122.820 -0.274 0.000 3.214 220 A HA 0.456 4.775 4.320 -0.001 0.000 0.304 220 A C -0.315 176.928 177.584 -0.569 0.000 0.969 220 A CA -0.094 51.616 52.037 -0.546 0.000 0.986 220 A CB 0.019 18.791 19.000 -0.380 0.000 1.073 220 A HN 0.395 nan 8.150 nan 0.000 0.487 221 D N -0.164 119.950 120.400 -0.478 0.000 2.405 221 D HA 0.364 5.003 4.640 -0.001 0.000 0.264 221 D C 0.248 176.413 176.300 -0.225 0.000 1.240 221 D CA -0.500 53.296 54.000 -0.340 0.000 0.893 221 D CB -0.058 40.646 40.800 -0.160 0.000 1.198 221 D HN 0.116 nan 8.370 nan 0.000 0.514 222 F N 1.743 121.686 119.950 -0.012 0.000 2.095 222 F HA -0.085 4.441 4.527 -0.001 0.000 0.298 222 F C 2.417 178.277 175.800 0.101 0.000 1.104 222 F CA 0.853 58.856 58.000 0.006 0.000 1.232 222 F CB -0.622 38.464 39.000 0.142 0.000 0.987 222 F HN 0.277 nan 8.300 nan 0.000 0.475 223 K N 0.456 121.019 120.400 0.272 0.000 2.059 223 K HA -0.290 4.030 4.320 -0.001 0.000 0.212 223 K C 2.206 178.902 176.600 0.160 0.000 1.050 223 K CA 1.944 58.356 56.287 0.208 0.000 0.927 223 K CB -0.400 32.178 32.500 0.130 0.000 0.714 223 K HN 0.232 nan 8.250 nan 0.000 0.447 224 Q N -0.188 119.661 119.800 0.081 0.000 2.062 224 Q HA -0.024 4.315 4.340 -0.001 0.000 0.196 224 Q C 1.924 177.943 176.000 0.032 0.000 0.967 224 Q CA 1.308 57.141 55.803 0.051 0.000 0.832 224 Q CB -0.431 28.315 28.738 0.012 0.000 0.899 224 Q HN 0.333 nan 8.270 nan 0.000 0.442 225 L N -0.054 121.143 121.223 -0.044 0.000 2.011 225 L HA -0.247 4.092 4.340 -0.001 0.000 0.225 225 L C 1.869 178.656 176.870 -0.139 0.000 1.084 225 L CA 2.145 56.888 54.840 -0.161 0.000 0.791 225 L CB -0.918 40.941 42.059 -0.333 0.000 0.898 225 L HN 0.353 nan 8.230 nan 0.000 0.440 226 F N -0.924 119.115 119.950 0.149 0.000 2.259 226 F HA -0.113 4.413 4.527 -0.001 0.000 0.298 226 F C 2.434 178.333 175.800 0.164 0.000 1.088 226 F CA 1.420 59.516 58.000 0.159 0.000 1.358 226 F CB -1.477 37.592 39.000 0.115 0.000 1.040 226 F HN 0.065 nan 8.300 nan 0.000 0.505 227 T N -0.722 113.995 114.554 0.271 0.000 2.643 227 T HA -0.183 4.167 4.350 -0.001 0.000 0.264 227 T C 2.048 176.838 174.700 0.150 0.000 1.045 227 T CA 2.195 64.409 62.100 0.191 0.000 1.155 227 T CB -0.728 68.221 68.868 0.135 0.000 0.863 227 T HN 0.238 nan 8.240 nan 0.000 0.420 228 T N 2.225 116.842 114.554 0.106 0.000 2.685 228 T HA -0.112 4.237 4.350 -0.001 0.000 0.268 228 T C 1.942 176.699 174.700 0.095 0.000 1.034 228 T CA 1.250 63.395 62.100 0.076 0.000 1.149 228 T CB -0.536 68.355 68.868 0.038 0.000 0.860 228 T HN 0.313 nan 8.240 nan 0.000 0.449 229 I N 1.113 121.766 120.570 0.139 0.000 2.315 229 I HA -0.109 4.060 4.170 -0.001 0.000 0.248 229 I C 2.807 179.044 176.117 0.199 0.000 1.117 229 I CA 0.847 62.246 61.300 0.166 0.000 1.404 229 I CB -0.378 37.777 38.000 0.257 0.000 1.071 229 I HN 0.202 nan 8.210 nan 0.000 0.419 230 A N -0.063 122.902 122.820 0.242 0.000 2.070 230 A HA -0.246 4.073 4.320 -0.001 0.000 0.220 230 A C 2.162 179.820 177.584 0.123 0.000 1.159 230 A CA 1.429 53.595 52.037 0.216 0.000 0.656 230 A CB -0.478 18.655 19.000 0.221 0.000 0.800 230 A HN 0.479 nan 8.150 nan 0.000 0.453 231 Q N -0.669 119.186 119.800 0.093 0.000 2.378 231 Q HA 0.171 4.511 4.340 -0.001 0.000 0.205 231 Q C -0.099 175.913 176.000 0.019 0.000 0.954 231 Q CA 0.147 55.982 55.803 0.054 0.000 0.901 231 Q CB -0.115 28.654 28.738 0.051 0.000 0.981 231 Q HN 0.626 nan 8.270 nan 0.000 0.483 232 L N 2.459 123.680 121.223 -0.004 0.000 2.371 232 L HA 0.223 4.562 4.340 -0.001 0.000 0.272 232 L C -1.881 174.855 176.870 -0.224 0.000 1.124 232 L CA -1.840 52.933 54.840 -0.112 0.000 0.816 232 L CB 0.437 42.414 42.059 -0.137 0.000 1.129 232 L HN -0.083 nan 8.230 nan 0.000 0.448 233 P HA 0.078 nan 4.420 nan 0.000 0.212 233 P C -0.403 176.593 177.300 -0.506 0.000 1.816 233 P CA -0.142 62.773 63.100 -0.308 0.000 0.944 233 P CB -0.117 31.483 31.700 -0.166 0.000 1.896 234 V N -1.645 117.976 119.914 -0.488 0.000 2.607 234 V HA 0.721 4.840 4.120 -0.001 0.000 0.289 234 V C 1.265 177.231 176.094 -0.214 0.000 1.053 234 V CA 0.148 62.180 62.300 -0.446 0.000 0.996 234 V CB 1.239 32.837 31.823 -0.375 0.000 0.995 234 V HN 0.192 nan 8.190 nan 0.000 0.476 235 G N 3.700 112.407 108.800 -0.155 0.000 2.656 235 G HA2 0.321 4.280 3.960 -0.001 0.000 0.211 235 G HA3 0.321 4.280 3.960 -0.001 0.000 0.211 235 G C 0.345 175.158 174.900 -0.145 0.000 1.137 235 G CA -0.037 45.005 45.100 -0.096 0.000 0.802 235 G HN 0.642 nan 8.290 nan 0.000 0.527 236 I N -0.295 120.167 120.570 -0.181 0.000 2.545 236 I HA 0.367 4.536 4.170 -0.001 0.000 0.292 236 I C -1.328 174.668 176.117 -0.201 0.000 1.040 236 I CA -1.074 60.055 61.300 -0.284 0.000 1.068 236 I CB 2.740 40.532 38.000 -0.347 0.000 1.251 236 I HN 0.028 nan 8.210 nan 0.000 0.424 237 W N 6.288 127.277 121.300 -0.517 0.000 2.417 237 W HA 0.525 5.184 4.660 -0.001 0.000 0.315 237 W C -1.427 174.954 176.519 -0.231 0.000 1.045 237 W CA -0.523 56.630 57.345 -0.321 0.000 1.221 237 W CB 1.925 31.141 29.460 -0.406 0.000 1.309 237 W HN 0.367 nan 8.180 nan 0.000 0.453 238 T N 4.820 119.347 114.554 -0.045 0.000 2.809 238 T HA 0.434 4.783 4.350 -0.001 0.000 0.296 238 T C -0.136 174.624 174.700 0.099 0.000 1.015 238 T CA -0.247 61.922 62.100 0.115 0.000 0.954 238 T CB 1.241 70.230 68.868 0.200 0.000 0.950 238 T HN 0.405 nan 8.240 nan 0.000 0.450 239 S N 1.653 117.543 115.700 0.317 0.000 2.688 239 S HA 0.751 5.221 4.470 -0.001 0.000 0.275 239 S C -0.134 174.827 174.600 0.602 0.000 1.175 239 S CA -0.954 57.490 58.200 0.406 0.000 0.818 239 S CB 1.099 64.654 63.200 0.591 0.000 1.157 239 S HN 0.693 nan 8.310 nan 0.000 0.482 240 T N -0.781 114.091 114.554 0.531 0.000 2.898 240 T HA 0.453 4.802 4.350 -0.001 0.000 0.301 240 T C -1.990 173.027 174.700 0.528 0.000 1.049 240 T CA -1.139 61.257 62.100 0.493 0.000 1.095 240 T CB 0.251 69.341 68.868 0.370 0.000 0.976 240 T HN 0.355 nan 8.240 nan 0.000 0.539 241 P HA -0.099 nan 4.420 nan 0.000 0.216 241 P C 1.758 179.070 177.300 0.019 0.000 1.150 241 P CA 1.073 64.104 63.100 -0.116 0.000 0.843 241 P CB -0.122 31.451 31.700 -0.211 0.000 0.787 242 S N -1.757 114.003 115.700 0.100 0.000 2.419 242 S HA -0.154 4.315 4.470 -0.001 0.000 0.233 242 S C 1.582 176.269 174.600 0.144 0.000 1.016 242 S CA 0.884 59.129 58.200 0.076 0.000 0.974 242 S CB -1.099 62.145 63.200 0.075 0.000 0.786 242 S HN 0.156 nan 8.310 nan 0.000 0.492 243 F N 2.252 122.295 119.950 0.154 0.000 2.113 243 F HA -0.054 4.472 4.527 -0.001 0.000 0.297 243 F C 2.383 178.329 175.800 0.243 0.000 1.103 243 F CA 0.989 59.132 58.000 0.238 0.000 1.248 243 F CB -0.525 38.667 39.000 0.319 0.000 0.999 243 F HN 0.190 nan 8.300 nan 0.000 0.475 244 A N 0.116 123.135 122.820 0.332 0.000 1.917 244 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 244 A C 1.944 179.356 177.584 -0.288 0.000 1.182 244 A CA 2.192 54.218 52.037 -0.019 0.000 0.633 244 A CB -1.060 17.983 19.000 0.070 0.000 0.819 244 A HN 0.454 nan 8.150 nan 0.000 0.448 245 D N -0.588 119.695 120.400 -0.195 0.000 2.104 245 D HA -0.168 4.472 4.640 -0.001 0.000 0.194 245 D C 1.956 178.072 176.300 -0.307 0.000 0.994 245 D CA 1.508 55.377 54.000 -0.218 0.000 0.830 245 D CB -0.379 40.332 40.800 -0.149 0.000 0.959 245 D HN 0.495 nan 8.370 nan 0.000 0.452 246 M N 0.319 119.713 119.600 -0.343 0.000 2.202 246 M HA -0.147 4.332 4.480 -0.001 0.000 0.262 246 M C 2.041 177.848 176.300 -0.821 0.000 1.063 246 M CA 1.356 56.392 55.300 -0.439 0.000 1.097 246 M CB -0.000 32.394 32.600 -0.344 0.000 1.382 246 M HN -0.023 nan 8.290 nan 0.000 0.413 247 A N -0.864 121.240 122.820 -1.192 0.000 2.119 247 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 247 A C 1.923 178.906 177.584 -1.002 0.000 1.152 247 A CA 0.929 51.838 52.037 -1.880 0.000 0.708 247 A CB -0.477 17.282 19.000 -2.069 0.000 0.805 247 A HN 0.451 nan 8.150 nan 0.000 0.460 248 M N -0.332 118.941 119.600 -0.545 0.000 2.557 248 M HA 0.119 4.598 4.480 -0.001 0.000 0.259 248 M C 1.391 177.610 176.300 -0.135 0.000 1.086 248 M CA 0.813 56.026 55.300 -0.145 0.000 1.096 248 M CB -0.301 32.241 32.600 -0.097 0.000 1.424 248 M HN 0.408 nan 8.290 nan 0.000 0.488 249 L N -1.975 119.108 121.223 -0.233 0.000 2.240 249 L HA 0.022 4.362 4.340 -0.001 0.000 0.211 249 L C 1.266 178.089 176.870 -0.078 0.000 1.106 249 L CA 0.050 54.810 54.840 -0.133 0.000 0.793 249 L CB -0.623 41.364 42.059 -0.120 0.000 0.927 249 L HN 0.094 nan 8.230 nan 0.000 0.446 250 S N 0.030 115.659 115.700 -0.117 0.000 2.545 250 S HA 0.035 4.504 4.470 -0.001 0.000 0.275 250 S C 0.946 175.580 174.600 0.056 0.000 1.299 250 S CA -0.749 57.459 58.200 0.013 0.000 1.048 250 S CB 0.763 64.009 63.200 0.078 0.000 0.938 250 S HN 0.188 nan 8.310 nan 0.000 0.496 251 D N 3.163 123.595 120.400 0.053 0.000 2.178 251 D HA -0.120 4.519 4.640 -0.001 0.000 0.201 251 D C 0.714 177.042 176.300 0.047 0.000 0.980 251 D CA 1.049 55.068 54.000 0.032 0.000 0.842 251 D CB -0.024 40.790 40.800 0.023 0.000 0.948 251 D HN 0.659 nan 8.370 nan 0.000 0.472 252 D N -0.041 120.423 120.400 0.106 0.000 2.371 252 D HA -0.090 4.549 4.640 -0.001 0.000 0.221 252 D C 0.336 176.762 176.300 0.211 0.000 0.986 252 D CA 0.117 54.201 54.000 0.139 0.000 0.899 252 D CB -0.094 40.816 40.800 0.183 0.000 0.902 252 D HN 0.145 nan 8.370 nan 0.000 0.530 253 F N 2.876 122.847 119.950 0.036 0.000 2.425 253 F HA 0.231 4.758 4.527 -0.001 0.000 0.354 253 F C -0.083 175.674 175.800 -0.071 0.000 1.162 253 F CA -1.052 56.999 58.000 0.086 0.000 1.250 253 F CB -0.254 38.740 39.000 -0.010 0.000 1.579 253 F HN -0.037 nan 8.300 nan 0.000 0.589 254 C N 1.861 120.840 119.300 -0.534 0.000 3.312 254 C HA 0.291 4.750 4.460 -0.001 0.000 0.332 254 C C 1.273 175.596 174.990 -1.112 0.000 1.340 254 C CA -0.886 57.425 59.018 -1.177 0.000 1.265 254 C CB 1.271 28.652 27.740 -0.599 0.000 1.563 254 C HN 0.740 nan 8.230 nan 0.000 0.471 255 Q N 0.774 119.828 119.800 -1.243 0.000 2.217 255 Q HA -0.187 4.152 4.340 -0.001 0.000 0.209 255 Q C 2.058 177.936 176.000 -0.203 0.000 0.988 255 Q CA 2.616 58.129 55.803 -0.484 0.000 0.878 255 Q CB -0.128 28.426 28.738 -0.307 0.000 0.909 255 Q HN 0.979 nan 8.270 nan 0.000 0.424 256 A N 0.260 122.949 122.820 -0.218 0.000 1.898 256 A HA -0.070 4.249 4.320 -0.001 0.000 0.214 256 A C 1.888 179.435 177.584 -0.061 0.000 1.183 256 A CA 0.950 52.920 52.037 -0.111 0.000 0.622 256 A CB -0.068 18.869 19.000 -0.105 0.000 0.824 256 A HN 0.065 nan 8.150 nan 0.000 0.444 257 K N -1.134 119.229 120.400 -0.061 0.000 2.459 257 K HA 0.276 4.595 4.320 -0.001 0.000 0.193 257 K C 0.002 176.635 176.600 0.055 0.000 1.030 257 K CA 0.480 56.770 56.287 0.005 0.000 1.026 257 K CB 0.118 32.635 32.500 0.028 0.000 0.809 257 K HN 0.516 nan 8.250 nan 0.000 0.504 258 M N 1.044 120.685 119.600 0.067 0.000 2.850 258 M HA 0.124 4.603 4.480 -0.001 0.000 0.288 258 M C -2.058 174.324 176.300 0.135 0.000 1.450 258 M CA -1.022 54.369 55.300 0.151 0.000 0.555 258 M CB 1.996 34.789 32.600 0.322 0.000 1.507 258 M HN -0.248 nan 8.290 nan 0.000 0.415 259 P HA 0.072 nan 4.420 nan 0.000 0.236 259 P C 0.893 178.216 177.300 0.039 0.000 1.177 259 P CA 0.754 63.882 63.100 0.046 0.000 0.773 259 P CB 0.258 31.970 31.700 0.019 0.000 0.878 260 A N -0.502 122.331 122.820 0.022 0.000 2.178 260 A HA 0.107 4.426 4.320 -0.001 0.000 0.211 260 A C 0.957 178.524 177.584 -0.029 0.000 1.157 260 A CA 0.057 52.090 52.037 -0.008 0.000 0.780 260 A CB -0.679 18.298 19.000 -0.038 0.000 0.828 260 A HN 0.165 nan 8.150 nan 0.000 0.476 261 L N 1.716 122.922 121.223 -0.029 0.000 2.315 261 L HA 0.403 4.743 4.340 -0.001 0.000 0.283 261 L C 1.049 177.809 176.870 -0.183 0.000 1.089 261 L CA 1.325 56.072 54.840 -0.155 0.000 0.833 261 L CB 0.748 42.669 42.059 -0.230 0.000 1.170 261 L HN 0.289 nan 8.230 nan 0.000 0.442 262 T N -0.176 114.250 114.554 -0.214 0.000 2.969 262 T HA 0.333 4.683 4.350 -0.001 0.000 0.258 262 T C 0.262 174.722 174.700 -0.400 0.000 0.962 262 T CA 0.011 61.987 62.100 -0.208 0.000 0.903 262 T CB -0.081 68.727 68.868 -0.100 0.000 1.177 262 T HN 0.566 nan 8.240 nan 0.000 0.511 263 H N -0.507 118.346 119.070 -0.362 0.000 2.771 263 H HA 0.619 5.174 4.556 -0.001 0.000 0.361 263 H C -1.821 173.107 175.328 -0.667 0.000 1.108 263 H CA -0.786 55.053 56.048 -0.349 0.000 1.201 263 H CB 1.435 30.971 29.762 -0.377 0.000 1.681 263 H HN 0.116 nan 8.280 nan 0.000 0.534 264 F N 2.574 122.409 119.950 -0.191 0.000 2.426 264 F HA 0.320 4.846 4.527 -0.001 0.000 0.348 264 F C -0.902 174.735 175.800 -0.271 0.000 1.124 264 F CA -0.734 57.051 58.000 -0.358 0.000 1.008 264 F CB 0.869 39.616 39.000 -0.421 0.000 1.139 264 F HN 0.446 nan 8.300 nan 0.000 0.452 265 Y N 3.824 124.055 120.300 -0.115 0.000 2.342 265 Y HA 0.477 5.026 4.550 -0.001 0.000 0.338 265 Y C -0.781 175.019 175.900 -0.166 0.000 0.965 265 Y CA -1.948 56.145 58.100 -0.013 0.000 1.159 265 Y CB 0.450 39.038 38.460 0.213 0.000 1.157 265 Y HN 0.313 nan 8.280 nan 0.000 0.486 266 F N 2.357 122.585 119.950 0.462 0.000 2.469 266 F HA 0.526 5.052 4.527 -0.001 0.000 0.332 266 F C 0.105 176.078 175.800 0.289 0.000 1.103 266 F CA -0.907 57.300 58.000 0.346 0.000 0.979 266 F CB 1.619 40.772 39.000 0.256 0.000 1.137 266 F HN 0.345 nan 8.300 nan 0.000 0.463 267 D N -0.040 120.631 120.400 0.451 0.000 2.583 267 D HA 0.559 5.199 4.640 -0.001 0.000 0.248 267 D C 0.521 176.993 176.300 0.286 0.000 1.209 267 D CA 0.436 54.623 54.000 0.311 0.000 0.848 267 D CB 2.247 43.182 40.800 0.225 0.000 1.431 267 D HN 0.621 nan 8.370 nan 0.000 0.436 268 G N 1.499 110.436 108.800 0.228 0.000 2.376 268 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.208 268 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.208 268 G C 0.016 175.036 174.900 0.199 0.000 1.032 268 G CA 0.672 45.933 45.100 0.268 0.000 0.641 268 G HN 0.806 nan 8.290 nan 0.000 0.503 269 E N 0.000 120.293 120.200 0.155 0.000 2.447 269 E HA 0.596 4.946 4.350 -0.001 0.000 0.279 269 E C -0.609 175.996 176.600 0.008 0.000 1.053 269 E CA -0.778 55.670 56.400 0.082 0.000 0.840 269 E CB 0.901 30.665 29.700 0.107 0.000 1.409 269 E HN 0.222 nan 8.360 nan 0.000 0.461 270 E N 0.758 120.934 120.200 -0.041 0.000 2.558 270 E HA 0.044 4.393 4.350 -0.001 0.000 0.255 270 E C -1.006 175.571 176.600 -0.039 0.000 0.968 270 E CA -0.288 56.074 56.400 -0.063 0.000 0.939 270 E CB 0.458 30.163 29.700 0.008 0.000 0.921 270 E HN 0.406 nan 8.360 nan 0.000 0.477 271 L N 5.386 126.583 121.223 -0.044 0.000 2.261 271 L HA 0.256 4.595 4.340 -0.001 0.000 0.289 271 L C -0.309 176.517 176.870 -0.072 0.000 1.059 271 L CA 0.224 55.006 54.840 -0.098 0.000 0.816 271 L CB 1.094 43.101 42.059 -0.088 0.000 1.191 271 L HN 0.512 nan 8.230 nan 0.000 0.431 272 T N 3.880 118.374 114.554 -0.100 0.000 2.913 272 T HA 0.146 4.495 4.350 -0.001 0.000 0.297 272 T C 1.543 176.202 174.700 -0.068 0.000 1.029 272 T CA -0.360 61.700 62.100 -0.066 0.000 1.104 272 T CB 1.356 70.177 68.868 -0.079 0.000 0.964 272 T HN 0.476 nan 8.240 nan 0.000 0.532 273 V N 3.285 123.183 119.914 -0.026 0.000 2.287 273 V HA -0.173 3.946 4.120 -0.001 0.000 0.248 273 V C 2.591 178.664 176.094 -0.035 0.000 1.053 273 V CA 2.115 64.409 62.300 -0.012 0.000 1.027 273 V CB -0.689 31.143 31.823 0.015 0.000 0.646 273 V HN 0.933 nan 8.190 nan 0.000 0.447 274 S N -0.483 115.191 115.700 -0.044 0.000 2.368 274 S HA -0.214 4.255 4.470 -0.001 0.000 0.225 274 S C 2.054 176.598 174.600 -0.093 0.000 1.030 274 S CA 1.930 60.099 58.200 -0.053 0.000 0.999 274 S CB -0.483 62.687 63.200 -0.050 0.000 0.844 274 S HN 0.692 nan 8.310 nan 0.000 0.459 275 T N 2.519 116.993 114.554 -0.134 0.000 2.674 275 T HA -0.079 4.270 4.350 -0.001 0.000 0.265 275 T C 2.195 176.743 174.700 -0.253 0.000 1.039 275 T CA 1.363 63.340 62.100 -0.205 0.000 1.150 275 T CB -0.596 68.109 68.868 -0.273 0.000 0.864 275 T HN 0.482 nan 8.240 nan 0.000 0.427 276 A N 1.608 124.280 122.820 -0.246 0.000 1.902 276 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 276 A C 2.284 179.695 177.584 -0.288 0.000 1.181 276 A CA 1.998 53.837 52.037 -0.329 0.000 0.623 276 A CB -0.632 18.244 19.000 -0.207 0.000 0.818 276 A HN 0.469 nan 8.150 nan 0.000 0.443 277 R N -0.300 120.155 120.500 -0.075 0.000 2.073 277 R HA -0.180 4.160 4.340 -0.001 0.000 0.234 277 R C 2.153 178.447 176.300 -0.011 0.000 1.134 277 R CA 2.058 58.184 56.100 0.043 0.000 0.952 277 R CB -0.269 30.053 30.300 0.037 0.000 0.850 277 R HN 0.416 nan 8.270 nan 0.000 0.433 278 K N 0.226 120.580 120.400 -0.076 0.000 2.211 278 K HA -0.045 4.274 4.320 -0.001 0.000 0.203 278 K C 2.023 178.563 176.600 -0.101 0.000 1.050 278 K CA 0.897 57.141 56.287 -0.073 0.000 0.945 278 K CB -0.014 32.439 32.500 -0.078 0.000 0.732 278 K HN 0.204 nan 8.250 nan 0.000 0.451 279 L N -0.485 120.617 121.223 -0.202 0.000 2.027 279 L HA -0.134 4.205 4.340 -0.001 0.000 0.206 279 L C 1.819 178.585 176.870 -0.173 0.000 1.074 279 L CA 1.021 55.686 54.840 -0.293 0.000 0.745 279 L CB -0.287 41.428 42.059 -0.574 0.000 0.898 279 L HN 0.165 nan 8.230 nan 0.000 0.433 280 F N 0.408 120.324 119.950 -0.058 0.000 2.216 280 F HA -0.205 4.321 4.527 -0.001 0.000 0.300 280 F C 2.469 178.243 175.800 -0.044 0.000 1.085 280 F CA 1.099 59.083 58.000 -0.027 0.000 1.326 280 F CB -0.631 38.351 39.000 -0.029 0.000 1.027 280 F HN 0.121 nan 8.300 nan 0.000 0.497 281 E N -0.296 119.965 120.200 0.100 0.000 2.077 281 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 281 E C 2.381 178.932 176.600 -0.082 0.000 0.989 281 E CA 0.959 57.362 56.400 0.004 0.000 0.800 281 E CB -0.031 29.658 29.700 -0.019 0.000 0.746 281 E HN 0.214 nan 8.360 nan 0.000 0.452 282 R N -0.278 120.140 120.500 -0.136 0.000 2.090 282 R HA 0.009 4.348 4.340 -0.001 0.000 0.228 282 R C 0.379 176.329 176.300 -0.584 0.000 1.110 282 R CA 0.818 56.693 56.100 -0.376 0.000 0.973 282 R CB -0.020 30.017 30.300 -0.438 0.000 0.869 282 R HN 0.132 nan 8.270 nan 0.000 0.440 283 F N 0.354 120.220 119.950 -0.141 0.000 2.686 283 F HA 0.331 4.858 4.527 -0.001 0.000 0.365 283 F C -1.759 174.079 175.800 0.063 0.000 1.196 283 F CA -2.104 55.865 58.000 -0.051 0.000 1.198 283 F CB 1.974 40.977 39.000 0.007 0.000 1.454 283 F HN -0.163 nan 8.300 nan 0.000 0.539 284 P HA -0.050 nan 4.420 nan 0.000 0.230 284 P C 0.991 178.368 177.300 0.129 0.000 1.158 284 P CA 1.046 64.228 63.100 0.137 0.000 0.769 284 P CB 0.329 32.048 31.700 0.032 0.000 0.807 285 S N -1.450 114.334 115.700 0.140 0.000 2.524 285 S HA 0.318 4.787 4.470 -0.001 0.000 0.215 285 S C 1.048 175.712 174.600 0.107 0.000 0.986 285 S CA -0.262 57.992 58.200 0.090 0.000 0.911 285 S CB -0.153 63.080 63.200 0.055 0.000 0.805 285 S HN 0.135 nan 8.310 nan 0.000 0.501 286 A N 2.357 125.298 122.820 0.202 0.000 2.386 286 A HA 0.429 4.748 4.320 -0.001 0.000 0.248 286 A C 0.181 177.868 177.584 0.172 0.000 1.082 286 A CA -0.059 52.073 52.037 0.158 0.000 0.789 286 A CB 0.305 19.478 19.000 0.288 0.000 1.025 286 A HN 0.076 nan 8.150 nan 0.000 0.490 287 K N 1.687 122.102 120.400 0.025 0.000 2.213 287 K HA 0.450 4.769 4.320 -0.001 0.000 0.270 287 K C -0.909 175.824 176.600 0.221 0.000 1.002 287 K CA 0.035 56.387 56.287 0.108 0.000 0.868 287 K CB 1.363 33.853 32.500 -0.016 0.000 1.093 287 K HN 0.583 nan 8.250 nan 0.000 0.454 288 I N 4.579 125.304 120.570 0.259 0.000 2.304 288 I HA 0.216 4.386 4.170 -0.001 0.000 0.291 288 I C -0.240 176.035 176.117 0.262 0.000 1.018 288 I CA -0.968 60.477 61.300 0.242 0.000 1.260 288 I CB 0.684 38.704 38.000 0.034 0.000 1.390 288 I HN 0.265 nan 8.210 nan 0.000 0.475 289 I N 6.398 127.153 120.570 0.309 0.000 2.354 289 I HA 0.258 4.427 4.170 -0.001 0.000 0.292 289 I C 0.071 176.354 176.117 0.278 0.000 0.989 289 I CA -0.309 61.115 61.300 0.207 0.000 1.188 289 I CB 1.228 39.274 38.000 0.078 0.000 1.342 289 I HN 0.429 nan 8.210 nan 0.000 0.457 290 N N 4.807 123.624 118.700 0.196 0.000 2.425 290 N HA 0.783 5.522 4.740 -0.001 0.000 0.268 290 N C -1.198 174.421 175.510 0.182 0.000 0.991 290 N CA -0.289 52.902 53.050 0.235 0.000 0.931 290 N CB 1.389 39.983 38.487 0.179 0.000 1.130 290 N HN 0.712 nan 8.380 nan 0.000 0.493 291 A N 2.992 125.974 122.820 0.269 0.000 2.413 291 A HA 0.620 4.939 4.320 -0.001 0.000 0.307 291 A C -1.824 175.981 177.584 0.368 0.000 1.087 291 A CA -0.635 51.600 52.037 0.330 0.000 0.750 291 A CB 0.939 20.213 19.000 0.456 0.000 1.296 291 A HN 0.718 nan 8.150 nan 0.000 0.423 292 Y N 0.360 120.786 120.300 0.209 0.000 2.492 292 Y HA 0.677 5.226 4.550 -0.001 0.000 0.346 292 Y C -0.135 175.848 175.900 0.139 0.000 0.997 292 Y CA 0.101 58.282 58.100 0.136 0.000 1.025 292 Y CB 2.002 40.508 38.460 0.077 0.000 1.263 292 Y HN 1.361 nan 8.280 nan 0.000 0.454 293 G N 5.176 113.551 108.800 -0.709 0.000 2.473 293 G HA2 0.403 4.362 3.960 -0.001 0.000 0.298 293 G HA3 0.403 4.362 3.960 -0.001 0.000 0.298 293 G C -3.578 171.052 174.900 -0.450 0.000 1.575 293 G CA -1.253 43.438 45.100 -0.683 0.000 0.846 293 G HN 0.453 nan 8.290 nan 0.000 0.585 294 P HA 0.285 nan 4.420 nan 0.000 0.281 294 P C 0.847 178.070 177.300 -0.130 0.000 1.249 294 P CA -0.171 62.863 63.100 -0.111 0.000 0.810 294 P CB 1.613 33.340 31.700 0.044 0.000 1.008 295 T N 0.984 115.503 114.554 -0.058 0.000 2.803 295 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 295 T C 1.212 175.836 174.700 -0.127 0.000 1.052 295 T CA 1.684 63.751 62.100 -0.055 0.000 1.136 295 T CB -0.427 68.471 68.868 0.049 0.000 0.864 295 T HN 0.523 nan 8.240 nan 0.000 0.467 296 E N 1.188 121.248 120.200 -0.233 0.000 2.463 296 E HA 0.096 4.445 4.350 -0.001 0.000 0.201 296 E C 1.428 177.798 176.600 -0.384 0.000 1.045 296 E CA 0.638 56.791 56.400 -0.412 0.000 0.872 296 E CB -0.122 28.938 29.700 -1.067 0.000 0.797 296 E HN 0.487 nan 8.360 nan 0.000 0.538 297 A N 0.179 122.829 122.820 -0.284 0.000 2.631 297 A HA 0.243 4.562 4.320 -0.001 0.000 0.294 297 A C -0.067 177.433 177.584 -0.140 0.000 1.156 297 A CA -0.251 51.678 52.037 -0.181 0.000 0.963 297 A CB -0.319 18.600 19.000 -0.135 0.000 1.202 297 A HN 0.016 nan 8.150 nan 0.000 0.523 298 T N -0.682 113.774 114.554 -0.164 0.000 3.318 298 T HA -0.152 4.197 4.350 -0.001 0.000 0.428 298 T C 0.999 175.480 174.700 -0.365 0.000 0.768 298 T CA 0.712 62.688 62.100 -0.206 0.000 2.218 298 T CB -2.481 66.316 68.868 -0.118 0.000 1.689 298 T HN 1.527 nan 8.240 nan 0.000 0.671 299 V N -3.136 116.556 119.914 -0.370 0.000 0.568 299 V HA -0.274 3.845 4.120 -0.001 0.000 0.092 299 V C 0.918 176.885 176.094 -0.213 0.000 1.963 299 V CA 1.866 63.882 62.300 -0.473 0.000 3.453 299 V CB -1.644 29.501 31.823 -1.130 0.000 0.745 299 V HN 2.312 nan 8.190 nan 0.000 0.773 300 A N -0.669 122.145 122.820 -0.010 0.000 2.520 300 A HA 0.846 5.165 4.320 -0.001 0.000 0.298 300 A C -0.444 177.236 177.584 0.160 0.000 1.051 300 A CA 0.117 52.282 52.037 0.214 0.000 0.690 300 A CB 1.947 21.290 19.000 0.571 0.000 1.281 300 A HN 1.672 nan 8.150 nan 0.000 0.402 301 L N 0.053 121.286 121.223 0.016 0.000 2.817 301 L HA 0.492 4.831 4.340 -0.001 0.000 0.248 301 L C 0.401 177.155 176.870 -0.193 0.000 1.133 301 L CA 0.723 55.453 54.840 -0.182 0.000 0.935 301 L CB -0.159 41.849 42.059 -0.085 0.000 1.266 301 L HN 0.740 nan 8.230 nan 0.000 0.535 302 S N -0.752 115.039 115.700 0.152 0.000 2.618 302 S HA 0.975 5.444 4.470 -0.001 0.000 0.277 302 S C -0.573 174.342 174.600 0.524 0.000 1.138 302 S CA -0.103 58.261 58.200 0.275 0.000 0.844 302 S CB 2.128 65.456 63.200 0.214 0.000 1.127 302 S HN 0.701 nan 8.310 nan 0.000 0.474 303 A N 0.686 123.801 122.820 0.492 0.000 2.612 303 A HA 0.882 5.201 4.320 -0.001 0.000 0.293 303 A C -1.550 176.126 177.584 0.154 0.000 1.075 303 A CA -0.714 51.472 52.037 0.249 0.000 0.680 303 A CB 1.181 20.162 19.000 -0.032 0.000 1.279 303 A HN 1.433 nan 8.150 nan 0.000 0.411 304 I N 0.004 120.599 120.570 0.041 0.000 2.787 304 I HA 0.368 4.538 4.170 -0.001 0.000 0.294 304 I C -0.636 175.517 176.117 0.059 0.000 1.365 304 I CA -0.285 61.069 61.300 0.088 0.000 1.029 304 I CB 1.964 39.984 38.000 0.035 0.000 1.313 304 I HN 0.924 nan 8.210 nan 0.000 0.431 305 E N 7.132 127.390 120.200 0.097 0.000 2.290 305 E HA 0.248 4.597 4.350 -0.001 0.000 0.277 305 E C -0.955 175.731 176.600 0.143 0.000 1.035 305 E CA -0.573 55.895 56.400 0.114 0.000 0.873 305 E CB 0.798 30.567 29.700 0.115 0.000 1.029 305 E HN 0.351 nan 8.360 nan 0.000 0.419 306 I N 4.995 125.671 120.570 0.178 0.000 2.416 306 I HA 0.083 4.252 4.170 -0.001 0.000 0.288 306 I C 0.769 177.056 176.117 0.283 0.000 1.051 306 I CA -0.028 61.392 61.300 0.200 0.000 1.375 306 I CB 0.363 38.471 38.000 0.179 0.000 1.407 306 I HN 0.609 nan 8.210 nan 0.000 0.516 307 T N 2.796 117.447 114.554 0.162 0.000 2.950 307 T HA 0.452 4.801 4.350 -0.001 0.000 0.288 307 T C 0.998 175.670 174.700 -0.046 0.000 1.035 307 T CA -0.797 61.332 62.100 0.048 0.000 1.028 307 T CB 2.144 70.997 68.868 -0.025 0.000 1.109 307 T HN 0.549 nan 8.240 nan 0.000 0.514 308 R N 0.170 120.513 120.500 -0.261 0.000 2.120 308 R HA -0.066 4.273 4.340 -0.001 0.000 0.234 308 R C 2.484 178.686 176.300 -0.164 0.000 1.123 308 R CA 1.727 57.654 56.100 -0.288 0.000 0.975 308 R CB -0.514 29.548 30.300 -0.396 0.000 0.866 308 R HN 0.752 nan 8.270 nan 0.000 0.446 309 E N -0.204 119.899 120.200 -0.161 0.000 2.153 309 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 309 E C 1.900 178.327 176.600 -0.287 0.000 0.988 309 E CA 1.542 57.837 56.400 -0.175 0.000 0.811 309 E CB -0.271 29.339 29.700 -0.151 0.000 0.746 309 E HN 0.502 nan 8.360 nan 0.000 0.466 310 M N -0.357 119.051 119.600 -0.320 0.000 2.156 310 M HA -0.076 4.404 4.480 -0.001 0.000 0.264 310 M C 2.432 178.553 176.300 -0.298 0.000 1.067 310 M CA 1.069 56.031 55.300 -0.563 0.000 1.131 310 M CB -0.110 32.306 32.600 -0.306 0.000 1.368 310 M HN 0.168 nan 8.290 nan 0.000 0.416 311 V N 0.341 120.203 119.914 -0.086 0.000 2.295 311 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 311 V C 1.618 177.697 176.094 -0.024 0.000 1.049 311 V CA 1.882 64.187 62.300 0.009 0.000 1.024 311 V CB -0.609 31.290 31.823 0.126 0.000 0.648 311 V HN 0.395 nan 8.190 nan 0.000 0.447 312 D N -0.407 119.959 120.400 -0.057 0.000 2.269 312 D HA -0.081 4.558 4.640 -0.001 0.000 0.208 312 D C 1.812 178.090 176.300 -0.038 0.000 0.963 312 D CA 1.149 55.123 54.000 -0.043 0.000 0.864 312 D CB -0.137 40.631 40.800 -0.053 0.000 0.936 312 D HN 0.560 nan 8.370 nan 0.000 0.505 313 N N -1.644 117.012 118.700 -0.074 0.000 2.460 313 N HA -0.007 4.732 4.740 -0.001 0.000 0.193 313 N C -0.207 175.394 175.510 0.152 0.000 1.080 313 N CA -0.137 52.911 53.050 -0.004 0.000 0.869 313 N CB 0.599 39.065 38.487 -0.036 0.000 1.201 313 N HN -0.035 nan 8.380 nan 0.000 0.457 314 Y N 0.446 120.739 120.300 -0.013 0.000 2.316 314 Y HA 0.157 4.706 4.550 -0.001 0.000 0.324 314 Y C 1.813 177.689 175.900 -0.040 0.000 1.267 314 Y CA -0.780 57.307 58.100 -0.022 0.000 1.311 314 Y CB 0.856 39.310 38.460 -0.009 0.000 1.267 314 Y HN -0.141 nan 8.280 nan 0.000 0.516 315 T N 0.974 115.591 114.554 0.105 0.000 3.044 315 T HA 0.235 4.584 4.350 -0.001 0.000 0.255 315 T C 0.443 175.157 174.700 0.023 0.000 1.073 315 T CA 0.509 62.611 62.100 0.002 0.000 1.125 315 T CB 0.095 68.906 68.868 -0.096 0.000 0.908 315 T HN 0.574 nan 8.240 nan 0.000 0.480 316 R N 0.300 120.826 120.500 0.043 0.000 2.725 316 R HA 0.585 4.924 4.340 -0.001 0.000 0.277 316 R C -1.209 175.150 176.300 0.098 0.000 0.987 316 R CA -0.798 55.333 56.100 0.051 0.000 0.901 316 R CB 2.024 32.337 30.300 0.021 0.000 1.207 316 R HN 0.212 nan 8.270 nan 0.000 0.463 317 L N 3.468 124.756 121.223 0.109 0.000 2.350 317 L HA 0.460 4.799 4.340 -0.001 0.000 0.275 317 L C -1.795 175.132 176.870 0.095 0.000 1.099 317 L CA -1.903 53.029 54.840 0.153 0.000 0.808 317 L CB 0.763 42.889 42.059 0.111 0.000 1.149 317 L HN 0.337 nan 8.230 nan 0.000 0.442 318 P HA 0.181 nan 4.420 nan 0.000 0.276 318 P C 0.295 177.604 177.300 0.015 0.000 1.261 318 P CA -0.347 62.765 63.100 0.019 0.000 0.800 318 P CB 1.034 32.732 31.700 -0.004 0.000 1.066 319 I N -4.361 116.192 120.570 -0.028 0.000 4.018 319 I HA 0.500 4.670 4.170 -0.001 0.000 0.337 319 I C 0.789 176.925 176.117 0.031 0.000 1.327 319 I CA -0.139 61.158 61.300 -0.005 0.000 1.100 319 I CB -0.069 37.855 38.000 -0.127 0.000 1.025 319 I HN 0.555 nan 8.210 nan 0.000 0.396 320 G N 1.033 109.801 108.800 -0.054 0.000 2.362 320 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.517 320 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.517 320 G C -1.356 173.455 174.900 -0.148 0.000 1.256 320 G CA -0.909 44.136 45.100 -0.091 0.000 1.027 320 G HN 0.152 nan 8.290 nan 0.000 0.491 321 Y N 1.386 121.758 120.300 0.120 0.000 2.359 321 Y HA 0.467 5.016 4.550 -0.001 0.000 0.334 321 Y C -1.482 174.480 175.900 0.104 0.000 1.058 321 Y CA -1.227 56.937 58.100 0.106 0.000 1.244 321 Y CB 0.850 39.384 38.460 0.123 0.000 1.187 321 Y HN 0.311 nan 8.280 nan 0.000 0.510 322 P HA 0.054 nan 4.420 nan 0.000 0.272 322 P C -0.696 176.569 177.300 -0.058 0.000 1.240 322 P CA -0.519 62.583 63.100 0.003 0.000 0.791 322 P CB 0.677 32.346 31.700 -0.053 0.000 0.978 323 K N 2.402 122.610 120.400 -0.320 0.000 2.326 323 K HA 0.100 4.419 4.320 -0.001 0.000 0.275 323 K C -1.667 174.819 176.600 -0.189 0.000 1.018 323 K CA -1.121 54.868 56.287 -0.496 0.000 0.962 323 K CB -0.315 31.677 32.500 -0.846 0.000 0.953 323 K HN 0.299 nan 8.250 nan 0.000 0.475 324 P HA -0.214 nan 4.420 nan 0.000 0.216 324 P C 0.611 177.888 177.300 -0.040 0.000 1.153 324 P CA 1.441 64.531 63.100 -0.017 0.000 0.858 324 P CB 0.136 31.860 31.700 0.039 0.000 0.789 325 D N -1.959 118.406 120.400 -0.059 0.000 2.340 325 D HA 0.010 4.649 4.640 -0.001 0.000 0.220 325 D C -0.071 176.192 176.300 -0.062 0.000 1.039 325 D CA 0.369 54.345 54.000 -0.041 0.000 0.866 325 D CB -0.474 40.315 40.800 -0.019 0.000 0.913 325 D HN -0.053 nan 8.370 nan 0.000 0.523 326 S N 1.702 117.334 115.700 -0.113 0.000 2.060 326 S HA 0.351 4.820 4.470 -0.001 0.000 0.156 326 S C -2.639 171.891 174.600 -0.117 0.000 1.690 326 S CA -1.014 57.119 58.200 -0.112 0.000 1.238 326 S CB 1.306 64.408 63.200 -0.164 0.000 1.150 326 S HN 0.069 nan 8.310 nan 0.000 0.437 327 P HA 0.101 nan 4.420 nan 0.000 0.263 327 P C -0.409 176.733 177.300 -0.263 0.000 1.175 327 P CA 0.503 63.498 63.100 -0.175 0.000 0.761 327 P CB 0.408 32.112 31.700 0.005 0.000 0.794 328 T N 2.988 117.231 114.554 -0.518 0.000 2.893 328 T HA 0.610 4.960 4.350 -0.001 0.000 0.293 328 T C -1.067 173.284 174.700 -0.582 0.000 1.027 328 T CA -0.230 61.654 62.100 -0.360 0.000 0.988 328 T CB 0.795 69.564 68.868 -0.165 0.000 1.043 328 T HN 0.139 nan 8.240 nan 0.000 0.461 329 Y N 0.959 121.226 120.300 -0.055 0.000 2.588 329 Y HA 0.598 5.147 4.550 -0.001 0.000 0.343 329 Y C -0.593 175.271 175.900 -0.059 0.000 1.065 329 Y CA -1.534 56.537 58.100 -0.050 0.000 1.038 329 Y CB 1.337 39.736 38.460 -0.101 0.000 1.297 329 Y HN 0.384 nan 8.280 nan 0.000 0.467 330 I N 4.644 125.301 120.570 0.144 0.000 2.354 330 I HA 0.489 4.658 4.170 -0.001 0.000 0.292 330 I C -0.257 175.906 176.117 0.076 0.000 0.989 330 I CA -0.820 60.523 61.300 0.071 0.000 1.188 330 I CB 0.765 38.791 38.000 0.044 0.000 1.342 330 I HN 0.578 nan 8.210 nan 0.000 0.457 331 I N 2.276 122.870 120.570 0.041 0.000 2.689 331 I HA 0.630 4.799 4.170 -0.001 0.000 0.299 331 I C -0.459 175.676 176.117 0.030 0.000 1.059 331 I CA -0.886 60.441 61.300 0.044 0.000 1.055 331 I CB 2.184 40.201 38.000 0.028 0.000 1.243 331 I HN 0.471 nan 8.210 nan 0.000 0.425 332 D N 3.230 123.650 120.400 0.034 0.000 2.414 332 D HA 0.011 4.650 4.640 -0.001 0.000 0.251 332 D C 0.998 177.302 176.300 0.007 0.000 1.252 332 D CA -0.240 53.770 54.000 0.018 0.000 0.999 332 D CB 0.444 41.256 40.800 0.020 0.000 1.093 332 D HN 0.787 nan 8.370 nan 0.000 0.515 333 E N -0.655 119.541 120.200 -0.007 0.000 2.265 333 E HA -0.241 4.109 4.350 -0.001 0.000 0.196 333 E C 0.309 176.896 176.600 -0.022 0.000 0.996 333 E CA 0.903 57.287 56.400 -0.026 0.000 0.832 333 E CB -0.261 29.421 29.700 -0.029 0.000 0.756 333 E HN 0.349 nan 8.360 nan 0.000 0.491 334 D N 0.364 120.763 120.400 -0.002 0.000 2.355 334 D HA 0.052 4.691 4.640 -0.001 0.000 0.218 334 D C 1.197 177.513 176.300 0.026 0.000 1.004 334 D CA 1.144 55.148 54.000 0.006 0.000 0.880 334 D CB 0.437 41.244 40.800 0.013 0.000 0.911 334 D HN 0.470 nan 8.370 nan 0.000 0.528 335 G N 0.116 108.939 108.800 0.038 0.000 2.157 335 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.248 335 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.248 335 G C 0.349 175.340 174.900 0.152 0.000 0.979 335 G CA 0.166 45.322 45.100 0.093 0.000 0.650 335 G HN 0.245 nan 8.290 nan 0.000 0.529 336 K N 0.527 120.986 120.400 0.100 0.000 2.297 336 K HA 0.472 4.791 4.320 -0.001 0.000 0.286 336 K C 0.552 177.221 176.600 0.115 0.000 1.053 336 K CA -0.108 56.239 56.287 0.100 0.000 0.940 336 K CB 1.552 34.087 32.500 0.058 0.000 1.019 336 K HN 0.629 nan 8.250 nan 0.000 0.475 337 E N 2.597 122.887 120.200 0.150 0.000 2.452 337 E HA 0.033 4.382 4.350 -0.001 0.000 0.261 337 E C -0.473 176.193 176.600 0.110 0.000 0.987 337 E CA -0.051 56.442 56.400 0.154 0.000 0.926 337 E CB 0.375 30.179 29.700 0.173 0.000 0.934 337 E HN 0.404 nan 8.360 nan 0.000 0.452 338 L N 2.328 123.615 121.223 0.107 0.000 2.335 338 L HA 0.400 4.739 4.340 -0.001 0.000 0.268 338 L C 0.298 177.216 176.870 0.080 0.000 1.016 338 L CA -1.058 53.828 54.840 0.077 0.000 0.805 338 L CB 1.823 43.916 42.059 0.057 0.000 1.311 338 L HN 0.480 nan 8.230 nan 0.000 0.456 339 S N -0.496 115.239 115.700 0.057 0.000 2.608 339 S HA 0.222 4.692 4.470 -0.001 0.000 0.291 339 S C -0.272 174.351 174.600 0.038 0.000 1.146 339 S CA -0.476 57.755 58.200 0.052 0.000 1.043 339 S CB 1.581 64.806 63.200 0.041 0.000 1.037 339 S HN 0.572 nan 8.310 nan 0.000 0.520 340 S N 1.516 117.238 115.700 0.036 0.000 3.799 340 S HA 0.102 4.571 4.470 -0.001 0.000 0.454 340 S C 1.397 176.003 174.600 0.011 0.000 1.130 340 S CA 1.234 59.447 58.200 0.022 0.000 0.966 340 S CB -0.713 62.500 63.200 0.022 0.000 0.680 340 S HN 1.330 nan 8.310 nan 0.000 0.496 341 G N 3.174 111.973 108.800 -0.001 0.000 2.199 341 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.254 341 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.254 341 G C -0.144 174.751 174.900 -0.008 0.000 0.982 341 G CA 0.386 45.479 45.100 -0.011 0.000 0.632 341 G HN 0.671 nan 8.290 nan 0.000 0.529 342 E N 1.014 121.216 120.200 0.002 0.000 2.259 342 E HA 0.468 4.817 4.350 -0.001 0.000 0.281 342 E C 0.603 177.201 176.600 -0.003 0.000 1.027 342 E CA -0.361 56.042 56.400 0.004 0.000 0.838 342 E CB 0.432 30.142 29.700 0.015 0.000 1.066 342 E HN 0.445 nan 8.360 nan 0.000 0.401 343 Q N 1.418 121.213 119.800 -0.009 0.000 2.327 343 Q HA 0.506 4.845 4.340 -0.001 0.000 0.254 343 Q C -0.042 175.951 176.000 -0.012 0.000 0.952 343 Q CA -0.201 55.590 55.803 -0.020 0.000 0.884 343 Q CB 1.663 30.385 28.738 -0.026 0.000 1.224 343 Q HN 0.719 nan 8.270 nan 0.000 0.422 344 G N 0.998 109.786 108.800 -0.019 0.000 2.428 344 G HA2 0.085 4.044 3.960 -0.001 0.000 0.304 344 G HA3 0.085 4.044 3.960 -0.001 0.000 0.304 344 G C -1.664 173.225 174.900 -0.018 0.000 1.303 344 G CA -0.830 44.264 45.100 -0.011 0.000 0.825 344 G HN 0.554 nan 8.290 nan 0.000 0.484 345 E N -0.349 119.846 120.200 -0.009 0.000 2.373 345 E HA 0.296 4.645 4.350 -0.001 0.000 0.267 345 E C 0.034 176.638 176.600 0.007 0.000 1.032 345 E CA -0.314 56.084 56.400 -0.005 0.000 0.889 345 E CB 0.528 30.233 29.700 0.008 0.000 0.984 345 E HN 0.290 nan 8.360 nan 0.000 0.425 346 I N 5.707 126.289 120.570 0.019 0.000 2.496 346 I HA 0.130 4.299 4.170 -0.001 0.000 0.285 346 I C 0.236 176.375 176.117 0.037 0.000 1.080 346 I CA -0.119 61.207 61.300 0.044 0.000 1.404 346 I CB 0.303 38.364 38.000 0.102 0.000 1.403 346 I HN 0.420 nan 8.210 nan 0.000 0.539 347 I N 5.246 125.822 120.570 0.010 0.000 2.828 347 I HA 0.779 4.949 4.170 -0.001 0.000 0.302 347 I C -1.191 174.917 176.117 -0.015 0.000 1.101 347 I CA -0.805 60.475 61.300 -0.034 0.000 1.031 347 I CB 2.183 40.112 38.000 -0.118 0.000 1.231 347 I HN 0.299 nan 8.210 nan 0.000 0.427 348 V N 3.809 123.714 119.914 -0.014 0.000 2.789 348 V HA 0.883 5.002 4.120 -0.001 0.000 0.311 348 V C -0.384 175.691 176.094 -0.033 0.000 1.073 348 V CA 0.536 62.836 62.300 -0.000 0.000 0.921 348 V CB 2.271 34.118 31.823 0.039 0.000 1.009 348 V HN 1.206 nan 8.190 nan 0.000 0.426 349 T N 2.300 116.848 114.554 -0.010 0.000 2.907 349 T HA 1.012 5.361 4.350 -0.001 0.000 0.290 349 T C 0.054 174.753 174.700 -0.002 0.000 1.066 349 T CA -0.095 62.001 62.100 -0.006 0.000 1.012 349 T CB 1.566 70.486 68.868 0.087 0.000 1.184 349 T HN 2.386 nan 8.240 nan 0.000 0.522 350 G N 1.046 109.845 108.800 -0.001 0.000 2.343 350 G HA2 0.167 4.126 3.960 -0.001 0.000 0.562 350 G HA3 0.167 4.126 3.960 -0.001 0.000 0.562 350 G C -2.518 172.377 174.900 -0.009 0.000 1.269 350 G CA -0.252 44.846 45.100 -0.004 0.000 1.011 350 G HN 0.665 nan 8.290 nan 0.000 0.498 351 P HA 0.141 nan 4.420 nan 0.000 0.234 351 P C 1.165 178.460 177.300 -0.009 0.000 1.167 351 P CA 1.662 64.759 63.100 -0.006 0.000 0.763 351 P CB 0.173 31.874 31.700 0.001 0.000 0.835 352 A N -0.497 122.312 122.820 -0.018 0.000 2.387 352 A HA 0.253 4.572 4.320 -0.001 0.000 0.234 352 A C 0.822 178.381 177.584 -0.042 0.000 1.253 352 A CA -0.061 51.963 52.037 -0.023 0.000 0.894 352 A CB -0.161 18.829 19.000 -0.015 0.000 0.963 352 A HN 0.009 nan 8.150 nan 0.000 0.508 353 V N 1.014 120.912 119.914 -0.026 0.000 2.583 353 V HA 0.232 4.352 4.120 -0.001 0.000 0.287 353 V C 1.033 177.127 176.094 0.002 0.000 1.051 353 V CA -0.145 62.153 62.300 -0.003 0.000 1.010 353 V CB 1.433 33.279 31.823 0.039 0.000 0.988 353 V HN 0.431 nan 8.190 nan 0.000 0.478 354 S N 3.331 119.049 115.700 0.031 0.000 2.572 354 S HA 0.098 4.567 4.470 -0.001 0.000 0.279 354 S C 1.349 175.828 174.600 -0.202 0.000 1.341 354 S CA -0.175 57.975 58.200 -0.084 0.000 1.043 354 S CB 0.518 63.652 63.200 -0.111 0.000 0.887 354 S HN 0.885 nan 8.310 nan 0.000 0.516 355 K N 2.910 123.143 120.400 -0.279 0.000 2.280 355 K HA 0.204 4.523 4.320 -0.001 0.000 0.202 355 K C 0.936 177.147 176.600 -0.648 0.000 1.047 355 K CA 0.797 56.880 56.287 -0.340 0.000 0.942 355 K CB -0.588 31.777 32.500 -0.224 0.000 0.739 355 K HN 0.870 nan 8.250 nan 0.000 0.457 356 G N -0.197 108.075 108.800 -0.880 0.000 2.353 356 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.424 356 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.424 356 G C -1.637 172.840 174.900 -0.706 0.000 1.320 356 G CA -0.858 43.429 45.100 -1.356 0.000 0.995 356 G HN 0.128 nan 8.290 nan 0.000 0.580 357 Y N -0.252 119.881 120.300 -0.277 0.000 2.544 357 Y HA 0.400 4.949 4.550 -0.001 0.000 0.330 357 Y C 1.192 177.022 175.900 -0.116 0.000 1.136 357 Y CA -0.603 57.422 58.100 -0.125 0.000 1.417 357 Y CB 0.704 39.163 38.460 -0.002 0.000 1.229 357 Y HN 0.550 nan 8.280 nan 0.000 0.532 358 L N 5.458 126.699 121.223 0.031 0.000 2.562 358 L HA 0.042 4.381 4.340 -0.001 0.000 0.271 358 L C 0.163 177.075 176.870 0.070 0.000 1.167 358 L CA 0.098 54.946 54.840 0.014 0.000 0.917 358 L CB -1.038 41.018 42.059 -0.005 0.000 1.187 358 L HN 0.827 nan 8.230 nan 0.000 0.482 359 N N 2.937 121.670 118.700 0.054 0.000 2.714 359 N HA -0.265 4.474 4.740 -0.001 0.000 0.253 359 N C -0.454 175.109 175.510 0.087 0.000 1.024 359 N CA 0.696 53.785 53.050 0.065 0.000 0.726 359 N CB -1.084 37.444 38.487 0.068 0.000 0.908 359 N HN 0.676 nan 8.380 nan 0.000 0.542 360 N N -0.279 118.486 118.700 0.108 0.000 2.697 360 N HA 0.152 4.891 4.740 -0.001 0.000 0.253 360 N C -2.066 173.530 175.510 0.143 0.000 1.604 360 N CA -1.642 51.482 53.050 0.123 0.000 0.772 360 N CB 0.931 39.496 38.487 0.130 0.000 1.267 360 N HN -0.018 nan 8.380 nan 0.000 0.510 361 P HA -0.159 nan 4.420 nan 0.000 0.218 361 P C 1.039 178.412 177.300 0.122 0.000 1.148 361 P CA 1.292 64.446 63.100 0.091 0.000 0.822 361 P CB 0.408 32.144 31.700 0.059 0.000 0.784 362 E N 0.877 121.145 120.200 0.113 0.000 2.107 362 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 362 E C 1.712 178.403 176.600 0.152 0.000 0.982 362 E CA 1.066 57.531 56.400 0.109 0.000 0.809 362 E CB -0.763 28.981 29.700 0.073 0.000 0.756 362 E HN 0.212 nan 8.360 nan 0.000 0.459 363 K N 0.624 121.138 120.400 0.190 0.000 2.167 363 K HA 0.041 4.360 4.320 -0.001 0.000 0.203 363 K C 2.240 179.167 176.600 0.545 0.000 1.052 363 K CA 1.218 57.672 56.287 0.278 0.000 0.956 363 K CB -0.379 32.197 32.500 0.128 0.000 0.735 363 K HN 0.170 nan 8.250 nan 0.000 0.451 364 T N 1.628 116.493 114.554 0.519 0.000 2.684 364 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 364 T C 1.954 176.897 174.700 0.406 0.000 1.036 364 T CA 1.725 64.064 62.100 0.398 0.000 1.148 364 T CB -0.193 68.719 68.868 0.072 0.000 0.863 364 T HN 0.326 nan 8.240 nan 0.000 0.436 365 A N 0.965 123.944 122.820 0.266 0.000 2.119 365 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 365 A C 2.132 179.844 177.584 0.212 0.000 1.153 365 A CA 1.051 53.222 52.037 0.224 0.000 0.692 365 A CB -0.380 18.706 19.000 0.144 0.000 0.799 365 A HN 0.540 nan 8.150 nan 0.000 0.458 366 E N -0.657 119.667 120.200 0.206 0.000 2.152 366 E HA -0.026 4.323 4.350 -0.001 0.000 0.192 366 E C 1.959 178.634 176.600 0.126 0.000 0.983 366 E CA 0.959 57.427 56.400 0.114 0.000 0.818 366 E CB -0.063 29.688 29.700 0.085 0.000 0.758 366 E HN 0.625 nan 8.360 nan 0.000 0.467 367 A N 0.004 122.998 122.820 0.290 0.000 2.127 367 A HA 0.191 4.510 4.320 -0.001 0.000 0.204 367 A C 0.318 177.993 177.584 0.150 0.000 1.243 367 A CA -0.181 51.969 52.037 0.187 0.000 0.887 367 A CB 0.343 19.460 19.000 0.194 0.000 0.933 367 A HN 0.020 nan 8.150 nan 0.000 0.479 368 F N 0.375 120.537 119.950 0.355 0.000 2.399 368 F HA 0.627 5.154 4.527 -0.001 0.000 0.334 368 F C -0.001 176.053 175.800 0.424 0.000 1.097 368 F CA -1.256 56.944 58.000 0.332 0.000 1.076 368 F CB 0.873 39.952 39.000 0.132 0.000 1.162 368 F HN 0.330 nan 8.300 nan 0.000 0.495 369 F N -2.089 117.978 119.950 0.194 0.000 3.090 369 F HA 0.794 5.321 4.527 -0.001 0.000 0.324 369 F C -1.254 174.620 175.800 0.123 0.000 1.189 369 F CA -1.155 56.931 58.000 0.143 0.000 0.907 369 F CB 1.257 40.335 39.000 0.130 0.000 1.445 369 F HN 0.206 nan 8.300 nan 0.000 0.500 370 T N 1.309 115.880 114.554 0.027 0.000 2.855 370 T HA 0.628 4.977 4.350 -0.001 0.000 0.281 370 T C -1.947 172.722 174.700 -0.051 0.000 1.007 370 T CA -0.328 61.721 62.100 -0.085 0.000 1.009 370 T CB 1.678 70.557 68.868 0.018 0.000 0.983 370 T HN 0.616 nan 8.240 nan 0.000 0.455 371 F N 2.522 122.295 119.950 -0.295 0.000 2.689 371 F HA 0.359 4.885 4.527 -0.001 0.000 0.332 371 F C -0.034 175.667 175.800 -0.165 0.000 1.209 371 F CA -0.916 56.946 58.000 -0.230 0.000 1.028 371 F CB 1.048 39.815 39.000 -0.388 0.000 1.291 371 F HN 0.653 nan 8.300 nan 0.000 0.500 372 K N 4.198 124.299 120.400 -0.497 0.000 3.077 372 K HA -0.200 4.119 4.320 -0.001 0.000 0.264 372 K C 0.815 177.340 176.600 -0.125 0.000 1.008 372 K CA 0.881 56.979 56.287 -0.316 0.000 0.740 372 K CB -1.713 30.605 32.500 -0.305 0.000 1.273 372 K HN 1.484 nan 8.250 nan 0.000 0.477 373 G N 0.214 108.955 108.800 -0.099 0.000 2.249 373 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.273 373 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.273 373 G C -0.191 174.692 174.900 -0.028 0.000 1.036 373 G CA 0.941 46.011 45.100 -0.050 0.000 0.824 373 G HN 0.496 nan 8.290 nan 0.000 0.504 374 Q N -0.749 119.037 119.800 -0.024 0.000 2.423 374 Q HA 0.495 4.834 4.340 -0.001 0.000 0.278 374 Q C -2.659 173.315 176.000 -0.043 0.000 1.097 374 Q CA -2.290 53.506 55.803 -0.012 0.000 0.809 374 Q CB 2.733 31.483 28.738 0.020 0.000 1.391 374 Q HN 0.120 nan 8.270 nan 0.000 0.428 375 P HA 0.155 nan 4.420 nan 0.000 0.268 375 P C -1.591 175.651 177.300 -0.097 0.000 1.205 375 P CA 0.114 63.193 63.100 -0.035 0.000 0.771 375 P CB 0.769 32.476 31.700 0.012 0.000 0.858 376 A N 2.686 125.382 122.820 -0.208 0.000 2.515 376 A HA 0.719 5.038 4.320 -0.001 0.000 0.296 376 A C -2.018 175.432 177.584 -0.223 0.000 1.094 376 A CA -0.514 51.278 52.037 -0.409 0.000 0.718 376 A CB 1.348 19.679 19.000 -1.116 0.000 1.307 376 A HN 0.484 nan 8.150 nan 0.000 0.408 377 Y N 1.525 121.639 120.300 -0.310 0.000 2.421 377 Y HA 0.467 5.016 4.550 -0.001 0.000 0.339 377 Y C -0.599 175.221 175.900 -0.133 0.000 0.996 377 Y CA -0.699 57.210 58.100 -0.319 0.000 1.046 377 Y CB 1.368 39.552 38.460 -0.459 0.000 1.226 377 Y HN 0.757 nan 8.280 nan 0.000 0.445 378 H N 4.577 123.296 119.070 -0.585 0.000 2.819 378 H HA 0.095 4.650 4.556 -0.001 0.000 0.303 378 H C 1.040 175.756 175.328 -1.020 0.000 1.058 378 H CA 1.013 56.724 56.048 -0.560 0.000 1.471 378 H CB 1.421 30.928 29.762 -0.425 0.000 1.480 378 H HN 0.893 nan 8.280 nan 0.000 0.517 379 T N -0.070 114.271 114.554 -0.355 0.000 2.904 379 T HA 0.003 4.352 4.350 -0.001 0.000 0.267 379 T C 1.721 176.394 174.700 -0.045 0.000 1.059 379 T CA 0.730 62.762 62.100 -0.113 0.000 1.137 379 T CB 0.075 69.049 68.868 0.177 0.000 0.879 379 T HN 0.841 nan 8.240 nan 0.000 0.467 380 G N 1.234 109.993 108.800 -0.068 0.000 2.176 380 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.253 380 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.253 380 G C -0.425 174.472 174.900 -0.005 0.000 0.979 380 G CA 0.112 45.186 45.100 -0.043 0.000 0.641 380 G HN 0.619 nan 8.290 nan 0.000 0.530 381 D N 0.630 121.062 120.400 0.052 0.000 2.192 381 D HA 0.542 5.181 4.640 -0.001 0.000 0.246 381 D C 0.501 176.777 176.300 -0.040 0.000 1.042 381 D CA -0.475 53.555 54.000 0.051 0.000 0.847 381 D CB 1.411 42.365 40.800 0.257 0.000 1.186 381 D HN 0.023 nan 8.370 nan 0.000 0.461 382 I N 1.605 122.091 120.570 -0.139 0.000 2.395 382 I HA 0.504 4.673 4.170 -0.001 0.000 0.289 382 I C 1.129 177.113 176.117 -0.222 0.000 1.023 382 I CA 0.008 61.220 61.300 -0.147 0.000 1.350 382 I CB 0.624 38.541 38.000 -0.138 0.000 1.409 382 I HN 0.447 nan 8.210 nan 0.000 0.507 383 G N 4.334 113.051 108.800 -0.139 0.000 2.650 383 G HA2 0.729 4.688 3.960 -0.001 0.000 0.310 383 G HA3 0.729 4.688 3.960 -0.001 0.000 0.310 383 G C -1.498 173.352 174.900 -0.084 0.000 1.270 383 G CA -0.298 44.717 45.100 -0.141 0.000 0.810 383 G HN 0.651 nan 8.290 nan 0.000 0.493 384 S N -1.536 114.117 115.700 -0.078 0.000 2.596 384 S HA 0.708 5.177 4.470 -0.001 0.000 0.270 384 S C -1.827 172.740 174.600 -0.055 0.000 1.155 384 S CA -0.688 57.481 58.200 -0.052 0.000 0.827 384 S CB 1.987 65.159 63.200 -0.046 0.000 1.130 384 S HN 1.030 nan 8.310 nan 0.000 0.467 385 L N 2.651 123.853 121.223 -0.036 0.000 2.287 385 L HA 0.627 4.966 4.340 -0.001 0.000 0.287 385 L C 0.567 177.421 176.870 -0.027 0.000 1.022 385 L CA 0.165 54.983 54.840 -0.037 0.000 0.814 385 L CB 1.387 43.432 42.059 -0.024 0.000 1.217 385 L HN 1.079 nan 8.230 nan 0.000 0.420 386 T N -0.044 114.488 114.554 -0.038 0.000 2.788 386 T HA 0.176 4.525 4.350 -0.001 0.000 0.287 386 T C 0.984 175.685 174.700 0.002 0.000 1.007 386 T CA -0.190 61.895 62.100 -0.025 0.000 1.005 386 T CB 0.551 69.397 68.868 -0.037 0.000 1.012 386 T HN 0.715 nan 8.240 nan 0.000 0.530 387 E N 0.611 120.819 120.200 0.012 0.000 2.130 387 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 387 E C 1.013 177.640 176.600 0.044 0.000 0.998 387 E CA 1.524 57.941 56.400 0.028 0.000 0.806 387 E CB -0.092 29.624 29.700 0.028 0.000 0.738 387 E HN 0.826 nan 8.360 nan 0.000 0.459 388 D N -0.501 119.931 120.400 0.053 0.000 2.352 388 D HA -0.033 4.606 4.640 -0.001 0.000 0.236 388 D C -0.048 176.329 176.300 0.129 0.000 1.148 388 D CA -0.026 54.032 54.000 0.097 0.000 0.844 388 D CB -0.355 40.520 40.800 0.125 0.000 0.933 388 D HN 0.033 nan 8.370 nan 0.000 0.507 389 N N -0.362 118.381 118.700 0.072 0.000 2.776 389 N HA -0.181 4.558 4.740 -0.001 0.000 0.250 389 N C -1.169 174.349 175.510 0.014 0.000 1.112 389 N CA 0.297 53.390 53.050 0.072 0.000 0.733 389 N CB -1.670 36.901 38.487 0.140 0.000 1.097 389 N HN 0.467 nan 8.380 nan 0.000 0.558 390 I N 0.561 121.073 120.570 -0.096 0.000 2.353 390 I HA 0.228 4.397 4.170 -0.001 0.000 0.293 390 I C 0.473 176.500 176.117 -0.150 0.000 0.992 390 I CA -1.059 60.087 61.300 -0.257 0.000 1.268 390 I CB 0.981 38.786 38.000 -0.324 0.000 1.387 390 I HN 0.015 nan 8.210 nan 0.000 0.478 391 L N 7.857 128.994 121.223 -0.144 0.000 2.367 391 L HA 0.347 4.686 4.340 -0.001 0.000 0.275 391 L C -0.454 176.347 176.870 -0.115 0.000 1.129 391 L CA 0.367 55.139 54.840 -0.113 0.000 0.839 391 L CB 0.417 42.413 42.059 -0.105 0.000 1.133 391 L HN 0.403 nan 8.230 nan 0.000 0.453 392 L N 5.194 126.357 121.223 -0.101 0.000 2.334 392 L HA 0.378 4.717 4.340 -0.001 0.000 0.276 392 L C -1.150 175.687 176.870 -0.056 0.000 1.014 392 L CA -0.889 53.903 54.840 -0.080 0.000 0.815 392 L CB 1.600 43.601 42.059 -0.096 0.000 1.268 392 L HN 0.486 nan 8.230 nan 0.000 0.428 393 Y N 0.721 120.931 120.300 -0.150 0.000 2.341 393 Y HA 0.534 5.083 4.550 -0.001 0.000 0.337 393 Y C 0.570 176.426 175.900 -0.072 0.000 1.014 393 Y CA -0.286 57.727 58.100 -0.145 0.000 1.111 393 Y CB 2.033 40.407 38.460 -0.145 0.000 1.194 393 Y HN 0.602 nan 8.280 nan 0.000 0.462 394 G N 2.300 110.702 108.800 -0.663 0.000 2.763 394 G HA2 0.477 4.436 3.960 -0.001 0.000 0.205 394 G HA3 0.477 4.436 3.960 -0.001 0.000 0.205 394 G C 0.228 174.795 174.900 -0.555 0.000 1.137 394 G CA 0.309 45.150 45.100 -0.433 0.000 0.839 394 G HN 1.248 nan 8.290 nan 0.000 0.596 395 G N -1.014 107.251 108.800 -0.893 0.000 2.343 395 G HA2 0.331 4.291 3.960 -0.001 0.000 0.289 395 G HA3 0.331 4.291 3.960 -0.001 0.000 0.289 395 G C -1.469 173.292 174.900 -0.232 0.000 1.295 395 G CA -0.981 43.827 45.100 -0.486 0.000 0.869 395 G HN 0.258 nan 8.290 nan 0.000 0.522 396 R N 0.053 120.564 120.500 0.017 0.000 2.438 396 R HA 0.292 4.631 4.340 -0.001 0.000 0.287 396 R C 1.277 177.527 176.300 -0.083 0.000 1.077 396 R CA -0.700 55.353 56.100 -0.078 0.000 1.034 396 R CB 1.343 31.415 30.300 -0.380 0.000 0.993 396 R HN 0.384 nan 8.270 nan 0.000 0.459 397 L N 2.527 123.695 121.223 -0.091 0.000 2.013 397 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 397 L C 1.367 178.210 176.870 -0.045 0.000 1.073 397 L CA 1.952 56.757 54.840 -0.059 0.000 0.753 397 L CB -0.471 41.549 42.059 -0.066 0.000 0.890 397 L HN 0.579 nan 8.230 nan 0.000 0.432 398 D N -1.251 119.068 120.400 -0.136 0.000 2.263 398 D HA -0.168 4.472 4.640 -0.001 0.000 0.208 398 D C 1.403 177.773 176.300 0.117 0.000 0.971 398 D CA 1.002 54.946 54.000 -0.093 0.000 0.867 398 D CB -0.087 40.574 40.800 -0.233 0.000 0.929 398 D HN 0.287 nan 8.370 nan 0.000 0.492 399 F N 0.526 120.523 119.950 0.078 0.000 2.645 399 F HA 0.253 4.779 4.527 -0.001 0.000 0.300 399 F C 0.913 176.753 175.800 0.066 0.000 1.115 399 F CA -0.625 57.424 58.000 0.081 0.000 1.355 399 F CB -0.673 38.375 39.000 0.080 0.000 1.026 399 F HN -0.181 nan 8.300 nan 0.000 0.536 400 Q N 2.242 122.171 119.800 0.215 0.000 2.303 400 Q HA 0.531 4.870 4.340 -0.001 0.000 0.257 400 Q C -0.402 175.692 176.000 0.156 0.000 0.941 400 Q CA -0.409 55.483 55.803 0.148 0.000 0.931 400 Q CB 1.285 30.077 28.738 0.090 0.000 1.215 400 Q HN 0.496 nan 8.270 nan 0.000 0.437 401 I N -0.091 120.570 120.570 0.151 0.000 2.910 401 I HA 0.594 4.763 4.170 -0.001 0.000 0.310 401 I C -1.109 175.106 176.117 0.164 0.000 1.043 401 I CA -1.211 60.183 61.300 0.158 0.000 1.053 401 I CB 1.963 40.033 38.000 0.118 0.000 1.242 401 I HN 0.320 nan 8.210 nan 0.000 0.452 402 K N 2.823 123.326 120.400 0.171 0.000 2.265 402 K HA 0.518 4.837 4.320 -0.001 0.000 0.267 402 K C -1.729 175.019 176.600 0.246 0.000 0.994 402 K CA -0.590 55.799 56.287 0.170 0.000 0.860 402 K CB 1.532 34.105 32.500 0.122 0.000 1.099 402 K HN 0.597 nan 8.250 nan 0.000 0.448 403 Y N 0.622 120.972 120.300 0.083 0.000 2.474 403 Y HA 0.317 4.866 4.550 -0.001 0.000 0.326 403 Y C -0.603 175.356 175.900 0.099 0.000 1.160 403 Y CA -0.364 57.783 58.100 0.079 0.000 1.056 403 Y CB 1.533 40.041 38.460 0.080 0.000 1.330 403 Y HN 0.763 nan 8.280 nan 0.000 0.447 404 A N 3.271 125.740 122.820 -0.586 0.000 2.748 404 A HA 0.022 4.341 4.320 -0.001 0.000 0.297 404 A C 1.589 179.003 177.584 -0.283 0.000 1.508 404 A CA 1.908 53.671 52.037 -0.456 0.000 0.799 404 A CB -2.217 16.481 19.000 -0.505 0.000 1.011 404 A HN 2.650 nan 8.150 nan 0.000 0.500 405 G N -3.334 105.334 108.800 -0.220 0.000 2.305 405 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.287 405 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.287 405 G C -0.216 174.439 174.900 -0.409 0.000 1.036 405 G CA 0.992 45.929 45.100 -0.271 0.000 0.887 405 G HN 1.564 nan 8.290 nan 0.000 0.505 406 Y N -0.948 119.263 120.300 -0.150 0.000 2.462 406 Y HA 0.606 5.155 4.550 -0.001 0.000 0.346 406 Y C 0.759 176.672 175.900 0.021 0.000 0.976 406 Y CA -1.301 56.736 58.100 -0.105 0.000 1.044 406 Y CB 1.261 39.590 38.460 -0.218 0.000 1.230 406 Y HN 0.055 nan 8.280 nan 0.000 0.455 407 R N 3.959 124.593 120.500 0.222 0.000 2.316 407 R HA 0.369 4.708 4.340 -0.001 0.000 0.314 407 R C -1.029 175.396 176.300 0.208 0.000 1.069 407 R CA 0.000 56.205 56.100 0.175 0.000 0.959 407 R CB 0.173 30.543 30.300 0.118 0.000 0.987 407 R HN 0.519 nan 8.270 nan 0.000 0.446 408 I N 2.557 123.240 120.570 0.188 0.000 2.498 408 I HA 0.286 4.455 4.170 -0.001 0.000 0.290 408 I C 0.035 176.223 176.117 0.118 0.000 1.032 408 I CA -0.828 60.572 61.300 0.166 0.000 1.073 408 I CB 2.018 40.138 38.000 0.199 0.000 1.251 408 I HN 0.380 nan 8.210 nan 0.000 0.426 409 E N 5.040 125.291 120.200 0.085 0.000 2.167 409 E HA 0.307 4.656 4.350 -0.001 0.000 0.284 409 E C 0.825 177.469 176.600 0.073 0.000 1.016 409 E CA -0.380 56.066 56.400 0.076 0.000 0.817 409 E CB 1.819 31.538 29.700 0.032 0.000 1.080 409 E HN 0.474 nan 8.360 nan 0.000 0.397 410 L N 2.588 123.868 121.223 0.094 0.000 2.083 410 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 410 L C 1.717 178.613 176.870 0.043 0.000 1.083 410 L CA 1.299 56.166 54.840 0.045 0.000 0.752 410 L CB -0.257 41.804 42.059 0.003 0.000 0.899 410 L HN 0.559 nan 8.230 nan 0.000 0.433 411 E N -0.279 119.977 120.200 0.093 0.000 2.153 411 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 411 E C 1.875 178.514 176.600 0.066 0.000 0.988 411 E CA 1.041 57.505 56.400 0.105 0.000 0.811 411 E CB -0.113 29.705 29.700 0.197 0.000 0.746 411 E HN 0.351 nan 8.360 nan 0.000 0.466 412 D N -0.052 120.374 120.400 0.044 0.000 2.117 412 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 412 D C 1.852 178.158 176.300 0.009 0.000 0.987 412 D CA 0.928 54.940 54.000 0.020 0.000 0.829 412 D CB 0.271 41.076 40.800 0.008 0.000 0.961 412 D HN 0.046 nan 8.370 nan 0.000 0.460 413 V N 0.643 120.560 119.914 0.004 0.000 2.307 413 V HA -0.192 3.928 4.120 -0.001 0.000 0.245 413 V C 2.677 178.765 176.094 -0.010 0.000 1.045 413 V CA 1.569 63.863 62.300 -0.010 0.000 1.024 413 V CB -0.695 31.115 31.823 -0.021 0.000 0.651 413 V HN 0.123 nan 8.190 nan 0.000 0.449 414 S N -0.127 115.567 115.700 -0.010 0.000 2.365 414 S HA -0.272 4.197 4.470 -0.001 0.000 0.225 414 S C 2.006 176.599 174.600 -0.013 0.000 1.039 414 S CA 1.544 59.731 58.200 -0.021 0.000 1.033 414 S CB -0.380 62.815 63.200 -0.009 0.000 0.887 414 S HN 0.571 nan 8.310 nan 0.000 0.447 415 Q N 0.667 120.473 119.800 0.010 0.000 2.172 415 Q HA 0.035 4.374 4.340 -0.001 0.000 0.200 415 Q C 2.229 178.236 176.000 0.011 0.000 0.964 415 Q CA 0.910 56.720 55.803 0.011 0.000 0.855 415 Q CB -0.543 28.211 28.738 0.026 0.000 0.918 415 Q HN 0.469 nan 8.270 nan 0.000 0.444 416 Q N 0.818 120.632 119.800 0.023 0.000 2.030 416 Q HA -0.088 4.251 4.340 -0.001 0.000 0.204 416 Q C 2.092 178.155 176.000 0.104 0.000 0.986 416 Q CA 1.342 57.190 55.803 0.075 0.000 0.843 416 Q CB -0.363 28.427 28.738 0.086 0.000 0.904 416 Q HN 0.360 nan 8.270 nan 0.000 0.420 417 L N 0.427 121.671 121.223 0.035 0.000 2.261 417 L HA -0.181 4.158 4.340 -0.001 0.000 0.216 417 L C 1.696 178.558 176.870 -0.013 0.000 1.114 417 L CA 0.705 55.542 54.840 -0.005 0.000 0.777 417 L CB -0.461 41.539 42.059 -0.099 0.000 0.910 417 L HN 0.238 nan 8.230 nan 0.000 0.440 418 N N -0.511 118.183 118.700 -0.010 0.000 2.459 418 N HA -0.124 4.615 4.740 -0.001 0.000 0.181 418 N C 1.764 177.276 175.510 0.003 0.000 1.046 418 N CA 0.596 53.634 53.050 -0.019 0.000 0.904 418 N CB -0.040 38.433 38.487 -0.022 0.000 0.964 418 N HN 0.315 nan 8.380 nan 0.000 0.444 419 Q N -0.022 119.798 119.800 0.032 0.000 2.437 419 Q HA 0.003 4.342 4.340 -0.001 0.000 0.210 419 Q C 0.357 176.400 176.000 0.072 0.000 0.972 419 Q CA 0.224 56.056 55.803 0.048 0.000 0.903 419 Q CB -0.338 28.439 28.738 0.065 0.000 0.967 419 Q HN 0.142 nan 8.270 nan 0.000 0.486 420 S N 1.466 117.201 115.700 0.059 0.000 2.499 420 S HA 0.159 4.628 4.470 -0.001 0.000 0.275 420 S C -1.781 172.844 174.600 0.042 0.000 1.257 420 S CA -1.527 56.707 58.200 0.056 0.000 1.050 420 S CB 1.020 64.242 63.200 0.036 0.000 0.937 420 S HN -0.086 nan 8.310 nan 0.000 0.490 421 P HA -0.060 nan 4.420 nan 0.000 0.224 421 P C 0.705 178.033 177.300 0.047 0.000 1.142 421 P CA 1.315 64.441 63.100 0.044 0.000 0.778 421 P CB 0.049 31.779 31.700 0.051 0.000 0.764 422 M N -2.464 117.169 119.600 0.055 0.000 2.382 422 M HA 0.073 4.552 4.480 -0.001 0.000 0.247 422 M C -0.030 176.295 176.300 0.041 0.000 1.104 422 M CA 0.239 55.581 55.300 0.069 0.000 1.030 422 M CB 0.676 33.336 32.600 0.100 0.000 1.424 422 M HN -0.350 nan 8.290 nan 0.000 0.486 423 V N 0.855 120.776 119.914 0.012 0.000 2.350 423 V HA 0.341 4.460 4.120 -0.001 0.000 0.276 423 V C 0.932 177.010 176.094 -0.026 0.000 1.028 423 V CA -0.284 62.003 62.300 -0.021 0.000 0.860 423 V CB 1.044 32.829 31.823 -0.064 0.000 0.990 423 V HN 0.331 nan 8.190 nan 0.000 0.453 424 A N 4.169 126.973 122.820 -0.027 0.000 1.855 424 A HA 0.105 4.424 4.320 -0.001 0.000 0.215 424 A C 1.155 178.705 177.584 -0.056 0.000 1.191 424 A CA 1.317 53.330 52.037 -0.040 0.000 0.613 424 A CB 0.030 19.007 19.000 -0.038 0.000 0.829 424 A HN 0.715 nan 8.150 nan 0.000 0.442 425 S N -2.570 113.092 115.700 -0.064 0.000 2.543 425 S HA 0.608 5.077 4.470 -0.001 0.000 0.273 425 S C -1.236 173.308 174.600 -0.094 0.000 1.152 425 S CA 0.088 58.245 58.200 -0.072 0.000 0.910 425 S CB 1.571 64.730 63.200 -0.067 0.000 1.105 425 S HN 1.302 nan 8.310 nan 0.000 0.465 426 A N 2.920 125.682 122.820 -0.096 0.000 2.422 426 A HA 0.796 5.115 4.320 -0.001 0.000 0.302 426 A C -1.498 176.039 177.584 -0.080 0.000 1.041 426 A CA -0.540 51.419 52.037 -0.129 0.000 0.708 426 A CB 1.671 20.561 19.000 -0.182 0.000 1.257 426 A HN 0.808 nan 8.150 nan 0.000 0.414 427 V N 2.150 122.037 119.914 -0.045 0.000 2.349 427 V HA 0.599 4.718 4.120 -0.001 0.000 0.284 427 V C 0.651 176.748 176.094 0.004 0.000 1.014 427 V CA -0.376 61.917 62.300 -0.011 0.000 0.826 427 V CB 0.974 32.792 31.823 -0.008 0.000 1.009 427 V HN 1.281 nan 8.190 nan 0.000 0.431 428 A N 4.523 127.317 122.820 -0.043 0.000 2.425 428 A HA 0.724 5.043 4.320 -0.001 0.000 0.249 428 A C -0.342 177.199 177.584 -0.072 0.000 1.084 428 A CA -0.090 51.911 52.037 -0.060 0.000 0.781 428 A CB 0.900 19.867 19.000 -0.054 0.000 1.019 428 A HN 0.800 nan 8.150 nan 0.000 0.490 429 V N 4.320 124.173 119.914 -0.100 0.000 2.969 429 V HA 0.529 4.648 4.120 -0.001 0.000 0.304 429 V C -2.598 173.375 176.094 -0.203 0.000 1.192 429 V CA -1.235 60.995 62.300 -0.116 0.000 0.962 429 V CB 2.942 34.760 31.823 -0.009 0.000 1.045 429 V HN 0.881 nan 8.190 nan 0.000 0.428 430 P HA 0.446 nan 4.420 nan 0.000 0.292 430 P C -1.333 175.653 177.300 -0.523 0.000 1.283 430 P CA -0.718 62.101 63.100 -0.468 0.000 0.835 430 P CB 1.078 32.392 31.700 -0.642 0.000 1.017 431 R N 3.354 123.563 120.500 -0.484 0.000 2.246 431 R HA 0.342 4.681 4.340 -0.001 0.000 0.332 431 R C -0.632 175.455 176.300 -0.355 0.000 0.974 431 R CA -0.585 55.313 56.100 -0.337 0.000 0.837 431 R CB 0.167 30.347 30.300 -0.200 0.000 1.145 431 R HN 0.456 nan 8.270 nan 0.000 0.467 432 Y N 2.512 122.756 120.300 -0.093 0.000 2.300 432 Y HA 0.104 4.653 4.550 -0.001 0.000 0.328 432 Y C 0.940 176.812 175.900 -0.046 0.000 1.270 432 Y CA -0.400 57.633 58.100 -0.112 0.000 1.352 432 Y CB 0.812 39.159 38.460 -0.187 0.000 1.286 432 Y HN 0.681 nan 8.280 nan 0.000 0.536 433 N N -0.005 118.786 118.700 0.152 0.000 2.491 433 N HA 0.307 5.046 4.740 -0.001 0.000 0.279 433 N C 0.831 176.408 175.510 0.112 0.000 1.236 433 N CA -0.174 52.938 53.050 0.102 0.000 0.982 433 N CB 0.277 38.812 38.487 0.079 0.000 1.194 433 N HN 0.565 nan 8.380 nan 0.000 0.582 434 K N -0.843 119.607 120.400 0.083 0.000 2.059 434 K HA -0.210 4.109 4.320 -0.001 0.000 0.212 434 K C 2.172 178.824 176.600 0.086 0.000 1.050 434 K CA 2.712 59.044 56.287 0.075 0.000 0.927 434 K CB -2.192 30.340 32.500 0.053 0.000 0.714 434 K HN 0.838 nan 8.250 nan 0.000 0.447 435 E N -0.255 119.996 120.200 0.084 0.000 2.463 435 E HA -0.152 4.197 4.350 -0.001 0.000 0.201 435 E C 0.788 177.476 176.600 0.147 0.000 1.045 435 E CA 0.835 57.289 56.400 0.090 0.000 0.872 435 E CB -0.913 28.830 29.700 0.073 0.000 0.797 435 E HN 0.812 nan 8.360 nan 0.000 0.538 436 H N -0.320 118.771 119.070 0.034 0.000 2.819 436 H HA -0.118 4.437 4.556 -0.001 0.000 0.323 436 H C -0.803 174.578 175.328 0.087 0.000 1.243 436 H CA 1.260 57.302 56.048 -0.010 0.000 1.163 436 H CB -1.265 28.414 29.762 -0.139 0.000 1.493 436 H HN 0.377 nan 8.280 nan 0.000 0.434 437 K N 0.373 120.840 120.400 0.113 0.000 2.395 437 K HA 0.388 4.707 4.320 -0.001 0.000 0.247 437 K C 0.066 176.769 176.600 0.171 0.000 0.973 437 K CA -0.969 55.406 56.287 0.147 0.000 0.828 437 K CB 2.458 35.027 32.500 0.116 0.000 1.272 437 K HN -0.004 nan 8.250 nan 0.000 0.439 438 V N 3.822 123.816 119.914 0.133 0.000 2.421 438 V HA -0.047 4.072 4.120 -0.001 0.000 0.271 438 V C 1.509 177.633 176.094 0.049 0.000 1.031 438 V CA 0.315 62.602 62.300 -0.022 0.000 1.032 438 V CB 0.565 32.352 31.823 -0.060 0.000 1.009 438 V HN 0.581 nan 8.190 nan 0.000 0.477 439 Q N 3.898 123.675 119.800 -0.038 0.000 2.049 439 Q HA -0.003 4.336 4.340 -0.001 0.000 0.198 439 Q C 0.697 176.692 176.000 -0.009 0.000 0.971 439 Q CA 1.535 57.347 55.803 0.015 0.000 0.833 439 Q CB 0.170 28.899 28.738 -0.015 0.000 0.896 439 Q HN 1.079 nan 8.270 nan 0.000 0.434 440 N N -2.513 116.043 118.700 -0.239 0.000 3.339 440 N HA 0.376 5.115 4.740 -0.001 0.000 0.275 440 N C -1.601 173.611 175.510 -0.497 0.000 1.514 440 N CA -0.634 52.168 53.050 -0.412 0.000 0.879 440 N CB 0.570 38.969 38.487 -0.147 0.000 1.557 440 N HN -0.115 nan 8.380 nan 0.000 0.524 441 L N 0.156 121.122 121.223 -0.428 0.000 2.322 441 L HA 0.643 4.982 4.340 -0.001 0.000 0.281 441 L C -1.140 175.615 176.870 -0.191 0.000 1.014 441 L CA -0.854 53.797 54.840 -0.315 0.000 0.815 441 L CB 1.299 43.191 42.059 -0.278 0.000 1.247 441 L HN 0.456 nan 8.230 nan 0.000 0.421 442 L N 2.541 123.655 121.223 -0.182 0.000 2.303 442 L HA 0.926 5.265 4.340 -0.001 0.000 0.266 442 L C -0.286 176.506 176.870 -0.129 0.000 1.011 442 L CA -0.369 54.381 54.840 -0.151 0.000 0.818 442 L CB 1.986 43.906 42.059 -0.231 0.000 1.326 442 L HN 0.643 nan 8.230 nan 0.000 0.435 443 A N 0.170 122.929 122.820 -0.103 0.000 2.427 443 A HA 0.692 5.012 4.320 -0.001 0.000 0.298 443 A C -1.716 175.680 177.584 -0.314 0.000 1.036 443 A CA -0.464 51.469 52.037 -0.172 0.000 0.701 443 A CB 0.531 19.427 19.000 -0.172 0.000 1.250 443 A HN 0.477 nan 8.150 nan 0.000 0.412 444 Y N 2.484 122.667 120.300 -0.196 0.000 2.442 444 Y HA 0.388 4.937 4.550 -0.001 0.000 0.330 444 Y C 0.532 176.235 175.900 -0.328 0.000 1.129 444 Y CA 0.218 58.183 58.100 -0.226 0.000 1.365 444 Y CB 0.581 38.952 38.460 -0.149 0.000 1.233 444 Y HN 0.375 nan 8.280 nan 0.000 0.529 445 I N 4.096 124.493 120.570 -0.290 0.000 2.509 445 I HA 0.310 4.479 4.170 -0.001 0.000 0.293 445 I C -0.767 175.278 176.117 -0.121 0.000 1.020 445 I CA -0.979 60.119 61.300 -0.336 0.000 1.088 445 I CB 1.568 39.177 38.000 -0.651 0.000 1.267 445 I HN 0.231 nan 8.210 nan 0.000 0.430 446 V N 6.124 126.004 119.914 -0.057 0.000 2.384 446 V HA 0.384 4.503 4.120 -0.001 0.000 0.287 446 V C 0.298 176.403 176.094 0.019 0.000 1.020 446 V CA -0.755 61.553 62.300 0.013 0.000 0.850 446 V CB 1.971 33.785 31.823 -0.014 0.000 0.987 446 V HN 0.567 nan 8.190 nan 0.000 0.436 447 V N 2.878 122.839 119.914 0.079 0.000 3.036 447 V HA 0.571 4.690 4.120 -0.001 0.000 0.308 447 V C 0.328 176.446 176.094 0.039 0.000 1.070 447 V CA -0.984 61.358 62.300 0.071 0.000 1.056 447 V CB 0.777 32.669 31.823 0.114 0.000 1.084 447 V HN 0.775 nan 8.190 nan 0.000 0.471 448 K N 0.702 121.123 120.400 0.034 0.000 2.187 448 K HA 0.160 4.479 4.320 -0.001 0.000 0.247 448 K C -0.352 176.262 176.600 0.024 0.000 1.019 448 K CA -0.169 56.129 56.287 0.019 0.000 0.893 448 K CB 0.210 32.721 32.500 0.018 0.000 1.025 448 K HN 0.885 nan 8.250 nan 0.000 0.500 449 D N -0.454 119.951 120.400 0.009 0.000 2.450 449 D HA 0.120 4.759 4.640 -0.001 0.000 0.247 449 D C 0.837 177.145 176.300 0.014 0.000 1.162 449 D CA 1.795 55.799 54.000 0.008 0.000 0.879 449 D CB 0.310 41.107 40.800 -0.005 0.000 1.163 449 D HN 0.651 nan 8.370 nan 0.000 0.472 450 G N 1.800 110.610 108.800 0.017 0.000 2.179 450 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.260 450 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.260 450 G C 1.124 176.045 174.900 0.034 0.000 0.977 450 G CA 0.268 45.378 45.100 0.015 0.000 0.641 450 G HN 0.476 nan 8.290 nan 0.000 0.533 451 V N 0.612 120.566 119.914 0.065 0.000 2.346 451 V HA -0.052 4.067 4.120 -0.001 0.000 0.244 451 V C 2.819 179.019 176.094 0.176 0.000 1.037 451 V CA 2.702 65.083 62.300 0.135 0.000 1.029 451 V CB -0.371 31.544 31.823 0.154 0.000 0.663 451 V HN 0.493 nan 8.190 nan 0.000 0.454 452 K N 0.129 120.594 120.400 0.108 0.000 2.052 452 K HA -0.315 4.005 4.320 -0.001 0.000 0.215 452 K C 2.030 178.678 176.600 0.080 0.000 1.053 452 K CA 2.361 58.699 56.287 0.085 0.000 0.934 452 K CB -0.317 32.201 32.500 0.030 0.000 0.717 452 K HN 0.487 nan 8.250 nan 0.000 0.450 453 E N 0.211 120.430 120.200 0.033 0.000 2.209 453 E HA -0.148 4.201 4.350 -0.001 0.000 0.196 453 E C 1.643 178.211 176.600 -0.054 0.000 0.993 453 E CA 0.921 57.318 56.400 -0.005 0.000 0.819 453 E CB 0.008 29.698 29.700 -0.015 0.000 0.745 453 E HN 0.188 nan 8.360 nan 0.000 0.477 454 R N -0.453 119.988 120.500 -0.099 0.000 2.323 454 R HA 0.104 4.444 4.340 -0.001 0.000 0.198 454 R C -0.440 175.478 176.300 -0.637 0.000 0.988 454 R CA 0.299 56.183 56.100 -0.359 0.000 1.041 454 R CB 0.204 30.225 30.300 -0.466 0.000 0.926 454 R HN 0.102 nan 8.270 nan 0.000 0.476 455 F N -0.139 119.793 119.950 -0.030 0.000 2.617 455 F HA 0.163 4.689 4.527 -0.001 0.000 0.325 455 F C 0.517 176.292 175.800 -0.042 0.000 1.179 455 F CA -1.062 56.916 58.000 -0.036 0.000 0.965 455 F CB 1.768 40.739 39.000 -0.047 0.000 1.232 455 F HN -0.109 nan 8.300 nan 0.000 0.461 456 D N 1.496 121.968 120.400 0.121 0.000 2.317 456 D HA -0.002 4.637 4.640 -0.001 0.000 0.211 456 D C 0.438 176.772 176.300 0.056 0.000 0.966 456 D CA 0.584 54.622 54.000 0.063 0.000 0.876 456 D CB 0.497 41.314 40.800 0.028 0.000 0.927 456 D HN 0.386 nan 8.370 nan 0.000 0.519 457 R N 0.728 121.277 120.500 0.081 0.000 2.561 457 R HA 0.177 4.516 4.340 -0.001 0.000 0.297 457 R C 0.748 177.026 176.300 -0.035 0.000 0.969 457 R CA -0.438 55.676 56.100 0.024 0.000 0.879 457 R CB 2.307 32.624 30.300 0.030 0.000 1.178 457 R HN -0.083 nan 8.270 nan 0.000 0.445 458 E N 2.314 122.465 120.200 -0.082 0.000 2.085 458 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 458 E C 1.532 178.069 176.600 -0.106 0.000 0.994 458 E CA 1.326 57.632 56.400 -0.158 0.000 0.801 458 E CB 0.205 29.835 29.700 -0.118 0.000 0.743 458 E HN 0.475 nan 8.360 nan 0.000 0.453 459 L N 1.394 122.583 121.223 -0.056 0.000 2.012 459 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 459 L C 2.078 178.905 176.870 -0.071 0.000 1.073 459 L CA 1.816 56.627 54.840 -0.048 0.000 0.748 459 L CB -0.189 41.852 42.059 -0.030 0.000 0.891 459 L HN 0.071 nan 8.230 nan 0.000 0.431 460 E N -0.530 119.636 120.200 -0.057 0.000 2.208 460 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 460 E C 2.094 178.475 176.600 -0.365 0.000 0.988 460 E CA 0.891 57.262 56.400 -0.048 0.000 0.828 460 E CB -0.400 29.388 29.700 0.148 0.000 0.763 460 E HN 0.415 nan 8.360 nan 0.000 0.478 461 L N 1.373 122.242 121.223 -0.590 0.000 1.976 461 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 461 L C 2.114 178.783 176.870 -0.335 0.000 1.071 461 L CA 2.073 56.360 54.840 -0.922 0.000 0.746 461 L CB -1.232 40.421 42.059 -0.677 0.000 0.890 461 L HN -0.008 nan 8.230 nan 0.000 0.432 462 T N 0.105 114.626 114.554 -0.054 0.000 2.685 462 T HA -0.236 4.114 4.350 -0.001 0.000 0.268 462 T C 1.929 176.612 174.700 -0.028 0.000 1.034 462 T CA 1.805 63.960 62.100 0.091 0.000 1.149 462 T CB -0.226 68.650 68.868 0.014 0.000 0.860 462 T HN 0.318 nan 8.240 nan 0.000 0.449 463 K N 0.815 121.164 120.400 -0.084 0.000 2.057 463 K HA 0.046 4.365 4.320 -0.001 0.000 0.206 463 K C 2.716 179.297 176.600 -0.032 0.000 1.050 463 K CA 1.180 57.431 56.287 -0.060 0.000 0.935 463 K CB -0.364 32.111 32.500 -0.042 0.000 0.715 463 K HN 0.343 nan 8.250 nan 0.000 0.439 464 A N 1.617 124.402 122.820 -0.059 0.000 1.902 464 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 464 A C 2.166 179.764 177.584 0.023 0.000 1.181 464 A CA 1.203 53.241 52.037 0.002 0.000 0.623 464 A CB -0.537 18.478 19.000 0.025 0.000 0.818 464 A HN 0.155 nan 8.150 nan 0.000 0.443 465 I N -0.605 119.981 120.570 0.027 0.000 2.113 465 I HA -0.302 3.867 4.170 -0.001 0.000 0.238 465 I C 2.521 178.700 176.117 0.104 0.000 1.070 465 I CA 1.873 63.230 61.300 0.097 0.000 1.332 465 I CB -0.365 37.746 38.000 0.186 0.000 1.044 465 I HN 0.259 nan 8.210 nan 0.000 0.402 466 K N 0.769 121.243 120.400 0.124 0.000 2.059 466 K HA -0.247 4.072 4.320 -0.001 0.000 0.212 466 K C 2.163 178.757 176.600 -0.011 0.000 1.050 466 K CA 1.887 58.199 56.287 0.041 0.000 0.927 466 K CB -0.375 32.098 32.500 -0.045 0.000 0.714 466 K HN 0.386 nan 8.250 nan 0.000 0.447 467 A N 0.863 123.679 122.820 -0.006 0.000 1.972 467 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 467 A C 2.021 179.592 177.584 -0.020 0.000 1.169 467 A CA 2.005 54.034 52.037 -0.014 0.000 0.635 467 A CB -0.502 18.500 19.000 0.005 0.000 0.810 467 A HN 0.415 nan 8.150 nan 0.000 0.446 468 S N -0.896 114.802 115.700 -0.003 0.000 2.562 468 S HA 0.121 4.590 4.470 -0.001 0.000 0.221 468 S C 1.098 175.671 174.600 -0.045 0.000 0.975 468 S CA 0.880 59.082 58.200 0.004 0.000 0.918 468 S CB -0.102 63.123 63.200 0.043 0.000 0.772 468 S HN 1.154 nan 8.310 nan 0.000 0.531 469 V N -2.197 117.633 119.914 -0.140 0.000 3.411 469 V HA 0.292 4.411 4.120 -0.001 0.000 0.287 469 V C 1.910 177.682 176.094 -0.537 0.000 1.543 469 V CA 0.414 62.456 62.300 -0.431 0.000 1.028 469 V CB -0.189 31.514 31.823 -0.199 0.000 0.840 469 V HN 0.418 nan 8.190 nan 0.000 0.435 470 K N 0.221 120.468 120.400 -0.255 0.000 2.113 470 K HA -0.247 4.072 4.320 -0.001 0.000 0.208 470 K C 1.452 177.931 176.600 -0.202 0.000 1.047 470 K CA 2.276 58.449 56.287 -0.191 0.000 0.928 470 K CB -1.578 30.858 32.500 -0.106 0.000 0.716 470 K HN 0.592 nan 8.250 nan 0.000 0.446 471 D N 0.871 121.150 120.400 -0.202 0.000 2.221 471 D HA -0.148 4.491 4.640 -0.001 0.000 0.204 471 D C 1.535 177.792 176.300 -0.072 0.000 0.982 471 D CA 1.682 55.616 54.000 -0.111 0.000 0.857 471 D CB -0.246 40.525 40.800 -0.048 0.000 0.934 471 D HN 0.933 nan 8.370 nan 0.000 0.475 472 H N -2.028 117.028 119.070 -0.023 0.000 2.486 472 H HA 0.364 4.919 4.556 -0.001 0.000 0.284 472 H C -0.148 175.146 175.328 -0.058 0.000 1.103 472 H CA -0.289 55.740 56.048 -0.032 0.000 1.089 472 H CB -0.069 29.681 29.762 -0.020 0.000 1.603 472 H HN 0.044 nan 8.280 nan 0.000 0.557 473 M N 2.279 121.824 119.600 -0.091 0.000 2.151 473 M HA 0.280 4.759 4.480 -0.001 0.000 0.290 473 M C -0.672 175.520 176.300 -0.179 0.000 0.965 473 M CA -0.740 54.490 55.300 -0.117 0.000 0.930 473 M CB 2.639 35.163 32.600 -0.127 0.000 1.560 473 M HN 0.029 nan 8.290 nan 0.000 0.438 474 M N 1.110 120.543 119.600 -0.278 0.000 2.245 474 M HA 0.017 4.496 4.480 -0.001 0.000 0.335 474 M C 1.411 177.477 176.300 -0.389 0.000 1.155 474 M CA 0.612 55.683 55.300 -0.382 0.000 1.055 474 M CB 0.056 32.216 32.600 -0.732 0.000 1.670 474 M HN 0.735 nan 8.290 nan 0.000 0.447 475 S N 2.380 117.973 115.700 -0.178 0.000 2.380 475 S HA -0.208 4.261 4.470 -0.001 0.000 0.229 475 S C 1.484 176.064 174.600 -0.033 0.000 1.043 475 S CA 2.158 60.318 58.200 -0.066 0.000 1.038 475 S CB -0.453 62.766 63.200 0.031 0.000 0.872 475 S HN 0.736 nan 8.310 nan 0.000 0.456 476 Y N -0.714 119.577 120.300 -0.016 0.000 2.439 476 Y HA 0.253 4.802 4.550 -0.001 0.000 0.292 476 Y C 2.022 177.993 175.900 0.119 0.000 1.130 476 Y CA 0.490 58.618 58.100 0.046 0.000 1.254 476 Y CB -0.581 37.863 38.460 -0.027 0.000 1.000 476 Y HN 0.140 nan 8.280 nan 0.000 0.554 477 M N -0.196 119.130 119.600 -0.458 0.000 2.288 477 M HA 0.031 4.510 4.480 -0.001 0.000 0.266 477 M C 0.632 176.872 176.300 -0.100 0.000 1.072 477 M CA 0.487 55.633 55.300 -0.257 0.000 1.132 477 M CB 0.058 32.412 32.600 -0.410 0.000 1.386 477 M HN 0.337 nan 8.290 nan 0.000 0.432 478 M N 2.538 122.079 119.600 -0.097 0.000 2.364 478 M HA 0.143 4.622 4.480 -0.001 0.000 0.342 478 M C -2.288 174.001 176.300 -0.017 0.000 1.601 478 M CA -1.800 53.476 55.300 -0.039 0.000 1.156 478 M CB 0.031 32.596 32.600 -0.057 0.000 1.912 478 M HN -0.237 nan 8.290 nan 0.000 0.460 479 P HA 0.142 nan 4.420 nan 0.000 0.269 479 P C -0.109 177.130 177.300 -0.101 0.000 1.209 479 P CA -0.156 62.933 63.100 -0.018 0.000 0.776 479 P CB 0.612 32.355 31.700 0.071 0.000 0.876 480 S N 1.974 117.602 115.700 -0.120 0.000 2.335 480 S HA -0.065 4.404 4.470 -0.001 0.000 0.217 480 S C 0.786 175.235 174.600 -0.252 0.000 1.032 480 S CA 0.835 58.939 58.200 -0.160 0.000 0.985 480 S CB -0.347 62.793 63.200 -0.101 0.000 0.896 480 S HN 0.406 nan 8.310 nan 0.000 0.445 481 K N 0.436 120.723 120.400 -0.188 0.000 2.110 481 K HA 0.442 4.762 4.320 -0.001 0.000 0.263 481 K C -1.687 174.874 176.600 -0.065 0.000 0.975 481 K CA -0.635 55.545 56.287 -0.179 0.000 0.895 481 K CB 0.582 33.008 32.500 -0.124 0.000 1.060 481 K HN 0.104 nan 8.250 nan 0.000 0.448 482 F N 3.768 123.595 119.950 -0.206 0.000 2.467 482 F HA 0.377 4.903 4.527 -0.001 0.000 0.336 482 F C -0.125 175.444 175.800 -0.384 0.000 1.123 482 F CA -1.180 56.611 58.000 -0.349 0.000 0.964 482 F CB 1.144 39.872 39.000 -0.453 0.000 1.136 482 F HN 0.233 nan 8.300 nan 0.000 0.447 483 L N 5.089 126.156 121.223 -0.260 0.000 2.262 483 L HA 0.352 4.691 4.340 -0.001 0.000 0.288 483 L C -0.815 175.924 176.870 -0.218 0.000 1.035 483 L CA -0.827 53.885 54.840 -0.213 0.000 0.820 483 L CB 0.272 42.142 42.059 -0.315 0.000 1.204 483 L HN 0.437 nan 8.230 nan 0.000 0.424 484 Y N 3.554 123.878 120.300 0.040 0.000 2.377 484 Y HA 0.335 4.884 4.550 -0.001 0.000 0.330 484 Y C 0.551 176.489 175.900 0.063 0.000 1.108 484 Y CA -0.153 57.970 58.100 0.039 0.000 1.308 484 Y CB 0.508 38.983 38.460 0.026 0.000 1.216 484 Y HN 0.453 nan 8.280 nan 0.000 0.518 485 R N 1.405 122.010 120.500 0.176 0.000 2.837 485 R HA 0.218 4.558 4.340 -0.001 0.000 0.271 485 R C -0.176 176.180 176.300 0.094 0.000 0.993 485 R CA -0.788 55.387 56.100 0.124 0.000 0.931 485 R CB 1.452 31.806 30.300 0.091 0.000 1.206 485 R HN 0.655 nan 8.270 nan 0.000 0.474 486 D N 0.234 120.674 120.400 0.067 0.000 2.234 486 D HA -0.025 4.614 4.640 -0.001 0.000 0.205 486 D C 0.409 176.721 176.300 0.019 0.000 0.962 486 D CA 1.229 55.257 54.000 0.046 0.000 0.855 486 D CB 0.516 41.342 40.800 0.043 0.000 0.951 486 D HN 0.512 nan 8.370 nan 0.000 0.500 487 S N -1.078 114.627 115.700 0.008 0.000 2.588 487 S HA 0.552 5.021 4.470 -0.001 0.000 0.269 487 S C -1.147 173.429 174.600 -0.040 0.000 1.157 487 S CA -1.015 57.171 58.200 -0.023 0.000 0.824 487 S CB 1.380 64.562 63.200 -0.030 0.000 1.126 487 S HN -0.030 nan 8.310 nan 0.000 0.464 488 L N 1.860 123.043 121.223 -0.067 0.000 2.331 488 L HA 0.653 4.992 4.340 -0.001 0.000 0.275 488 L C -2.060 174.760 176.870 -0.083 0.000 1.022 488 L CA -2.176 52.601 54.840 -0.104 0.000 0.812 488 L CB 1.543 43.528 42.059 -0.124 0.000 1.257 488 L HN 0.604 nan 8.230 nan 0.000 0.435 489 P HA 0.353 nan 4.420 nan 0.000 0.276 489 P C -1.262 176.012 177.300 -0.043 0.000 1.244 489 P CA -0.332 62.735 63.100 -0.056 0.000 0.801 489 P CB 1.240 32.901 31.700 -0.066 0.000 1.006 490 L N 0.501 121.718 121.223 -0.011 0.000 2.370 490 L HA 0.398 4.737 4.340 -0.001 0.000 0.266 490 L C 1.079 177.950 176.870 0.002 0.000 1.002 490 L CA -0.933 53.907 54.840 0.001 0.000 0.818 490 L CB 2.100 44.174 42.059 0.025 0.000 1.325 490 L HN 0.450 nan 8.230 nan 0.000 0.418 491 T N -1.957 112.591 114.554 -0.009 0.000 2.802 491 T HA 0.150 4.499 4.350 -0.001 0.000 0.305 491 T C -1.814 172.865 174.700 -0.034 0.000 1.053 491 T CA -1.059 61.027 62.100 -0.023 0.000 1.058 491 T CB 0.657 69.496 68.868 -0.049 0.000 0.988 491 T HN 0.409 nan 8.240 nan 0.000 0.539 492 P HA 0.018 nan 4.420 nan 0.000 0.225 492 P C 0.853 178.098 177.300 -0.091 0.000 1.148 492 P CA 0.589 63.672 63.100 -0.028 0.000 0.779 492 P CB -0.035 31.669 31.700 0.008 0.000 0.780 493 N N -0.923 117.635 118.700 -0.236 0.000 2.383 493 N HA 0.111 4.850 4.740 -0.001 0.000 0.192 493 N C 1.222 176.527 175.510 -0.342 0.000 1.141 493 N CA 0.958 53.672 53.050 -0.559 0.000 0.851 493 N CB -0.391 37.310 38.487 -1.311 0.000 0.976 493 N HN 0.128 nan 8.380 nan 0.000 0.465 494 G N 0.254 108.993 108.800 -0.102 0.000 2.132 494 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.234 494 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.234 494 G C -0.038 174.901 174.900 0.066 0.000 0.989 494 G CA -0.063 45.063 45.100 0.043 0.000 0.676 494 G HN 0.338 nan 8.290 nan 0.000 0.522 495 K N -0.290 120.113 120.400 0.005 0.000 2.123 495 K HA 0.668 4.987 4.320 -0.001 0.000 0.248 495 K C 0.771 177.387 176.600 0.026 0.000 0.969 495 K CA -1.080 55.230 56.287 0.040 0.000 0.882 495 K CB 1.568 34.089 32.500 0.035 0.000 1.080 495 K HN 0.193 nan 8.250 nan 0.000 0.441 496 I N 1.696 122.282 120.570 0.026 0.000 2.668 496 I HA -0.111 4.058 4.170 -0.001 0.000 0.285 496 I C 0.474 176.587 176.117 -0.006 0.000 1.168 496 I CA 0.241 61.537 61.300 -0.007 0.000 1.424 496 I CB 0.049 38.035 38.000 -0.024 0.000 1.377 496 I HN 0.479 nan 8.210 nan 0.000 0.560 497 D N 7.612 127.993 120.400 -0.033 0.000 2.508 497 D HA 0.155 4.795 4.640 -0.001 0.000 0.224 497 D C 1.071 177.340 176.300 -0.051 0.000 1.171 497 D CA 0.121 54.108 54.000 -0.022 0.000 1.006 497 D CB 0.353 41.135 40.800 -0.029 0.000 1.073 497 D HN 0.412 nan 8.370 nan 0.000 0.513 498 I N 1.897 122.448 120.570 -0.031 0.000 2.252 498 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 498 I C 2.543 178.593 176.117 -0.112 0.000 1.102 498 I CA 0.547 61.769 61.300 -0.130 0.000 1.385 498 I CB -0.149 37.708 38.000 -0.239 0.000 1.064 498 I HN 0.292 nan 8.210 nan 0.000 0.414 499 K N 1.188 121.598 120.400 0.018 0.000 2.020 499 K HA -0.222 4.097 4.320 -0.001 0.000 0.212 499 K C 2.008 178.630 176.600 0.036 0.000 1.050 499 K CA 2.450 58.783 56.287 0.077 0.000 0.929 499 K CB -0.415 32.173 32.500 0.147 0.000 0.714 499 K HN 0.254 nan 8.250 nan 0.000 0.443 500 T N 2.489 117.049 114.554 0.010 0.000 2.684 500 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 500 T C 2.015 176.699 174.700 -0.027 0.000 1.036 500 T CA 1.563 63.661 62.100 -0.004 0.000 1.148 500 T CB -0.204 68.651 68.868 -0.022 0.000 0.863 500 T HN 0.196 nan 8.240 nan 0.000 0.436 501 L N 0.234 121.397 121.223 -0.100 0.000 2.079 501 L HA -0.066 4.273 4.340 -0.001 0.000 0.210 501 L C 2.472 179.389 176.870 0.078 0.000 1.081 501 L CA 1.167 55.913 54.840 -0.156 0.000 0.752 501 L CB -0.582 41.239 42.059 -0.396 0.000 0.896 501 L HN 0.284 nan 8.230 nan 0.000 0.433 502 I N -0.133 120.459 120.570 0.037 0.000 2.252 502 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 502 I C 1.937 178.119 176.117 0.109 0.000 1.102 502 I CA 1.617 62.959 61.300 0.069 0.000 1.385 502 I CB -0.380 37.648 38.000 0.046 0.000 1.064 502 I HN 0.374 nan 8.210 nan 0.000 0.414 503 N N 0.346 119.102 118.700 0.094 0.000 2.309 503 N HA -0.157 4.583 4.740 -0.001 0.000 0.182 503 N C 1.480 177.046 175.510 0.092 0.000 1.018 503 N CA 0.624 53.732 53.050 0.097 0.000 0.876 503 N CB 0.044 38.576 38.487 0.075 0.000 0.972 503 N HN 0.379 nan 8.380 nan 0.000 0.434 504 E N 0.514 120.775 120.200 0.102 0.000 2.347 504 E HA -0.079 4.270 4.350 -0.001 0.000 0.196 504 E C 0.890 177.553 176.600 0.107 0.000 1.008 504 E CA 0.787 57.253 56.400 0.110 0.000 0.852 504 E CB 0.291 30.079 29.700 0.147 0.000 0.783 504 E HN 0.319 nan 8.360 nan 0.000 0.505 505 V N -1.965 118.010 119.914 0.101 0.000 2.915 505 V HA 0.395 4.514 4.120 -0.001 0.000 0.364 505 V C -0.360 175.763 176.094 0.048 0.000 1.354 505 V CA -0.543 61.786 62.300 0.049 0.000 1.213 505 V CB -0.536 31.283 31.823 -0.007 0.000 1.268 505 V HN -0.010 nan 8.190 nan 0.000 0.557 506 N N 0.000 118.749 118.700 0.081 0.000 1.763 506 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 506 N CA 0.000 53.119 53.050 0.116 0.000 0.885 506 N CB 0.000 38.605 38.487 0.197 0.000 1.341 506 N HN 0.000 nan 8.380 nan 0.000 0.667