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 2ahw_1_B DATA FIRST_RESID 4 DATA SEQUENCE VKPPRINGRV PVLSAQEAVN YIPDEATLCV LGAGGGILEA TTLITALADK DATA SEQUENCE YKQTQTPRNL SIISPTGLGD RADRGISPLA QEGLVKWALC GHWGQSPRIS DATA SEQUENCE DLAEQNKIIA YNYPQGVLTQ TLRAAAAHQP GIISDIGIGT FVDPRQQGGK DATA SEQUENCE LNEVTKEDLI KLVEFDNKEY LYYKAIAPDI AFIRATTCDS EGYATFEDEV DATA SEQUENCE MYLDALVIAQ AVHNNGGIVM MQVQKMVKKA TLHPKSVRIP GYLVDIVVVD DATA SEQUENCE PDQSQLYGGA PVNRFISGDF TLDXXXXXXX PLNQRKLVAR RALFEMRKGA DATA SEQUENCE VGNVGVGIAD GIGLVAREEG CADDFILTVE TGPIGGITXX XXXXXANVNT DATA SEQUENCE RAILDMTSQF DFYHGGGLDV CYLSFAEVDQ HGNVGVHKFN GKIMGTGGFI DATA SEQUENCE DISATSKKII FCGTLTAGSL KTEIADGKLN IVQEGRVKKF IRELPEITFS DATA SEQUENCE GKIALERGLD VRYITERAVF TLKEDGLHLI EIAPGVDLQK DILDKMDFTP DATA SEQUENCE VISPELKLMD ERLFIDAAMG FVLPEA 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.194 176.094 0.166 0.000 1.182 4 V CA 0.000 62.368 62.300 0.113 0.000 1.235 4 V CB 0.000 31.896 31.823 0.122 0.000 1.184 5 K N 3.765 124.203 120.400 0.064 0.000 2.098 5 K HA 0.858 5.179 4.320 0.001 0.000 0.258 5 K C -2.615 173.957 176.600 -0.046 0.000 0.973 5 K CA -1.657 54.592 56.287 -0.064 0.000 0.898 5 K CB 1.750 34.201 32.500 -0.080 0.000 1.057 5 K HN 0.470 nan 8.250 nan 0.000 0.447 6 P HA 0.145 nan 4.420 nan 0.000 0.271 6 P C -2.403 174.881 177.300 -0.026 0.000 1.216 6 P CA -1.033 62.040 63.100 -0.045 0.000 0.776 6 P CB -0.203 31.430 31.700 -0.113 0.000 0.881 7 P HA 0.202 nan 4.420 nan 0.000 0.275 7 P C -0.256 177.050 177.300 0.010 0.000 1.228 7 P CA -0.159 62.950 63.100 0.015 0.000 0.786 7 P CB 0.891 32.607 31.700 0.027 0.000 0.927 8 R N 2.031 122.540 120.500 0.014 0.000 2.267 8 R HA 0.344 4.684 4.340 0.001 0.000 0.319 8 R C -0.000 176.312 176.300 0.021 0.000 1.067 8 R CA -0.607 55.504 56.100 0.018 0.000 0.936 8 R CB 0.325 30.642 30.300 0.028 0.000 1.006 8 R HN 0.421 nan 8.270 nan 0.000 0.452 9 I N 4.061 124.643 120.570 0.020 0.000 2.304 9 I HA 0.059 4.229 4.170 0.001 0.000 0.291 9 I C 0.379 176.509 176.117 0.021 0.000 1.018 9 I CA -0.506 60.806 61.300 0.020 0.000 1.260 9 I CB 0.815 38.826 38.000 0.018 0.000 1.390 9 I HN 0.707 nan 8.210 nan 0.000 0.475 10 N N 5.247 123.959 118.700 0.021 0.000 2.714 10 N HA -0.215 4.526 4.740 0.001 0.000 0.250 10 N C 1.139 176.666 175.510 0.027 0.000 1.117 10 N CA 1.175 54.238 53.050 0.021 0.000 0.719 10 N CB -0.988 37.509 38.487 0.017 0.000 1.081 10 N HN 1.111 nan 8.380 nan 0.000 0.557 11 G N -0.844 107.976 108.800 0.033 0.000 2.199 11 G HA2 -0.369 3.591 3.960 0.001 0.000 0.254 11 G HA3 -0.369 3.591 3.960 0.001 0.000 0.254 11 G C 0.126 175.057 174.900 0.050 0.000 0.982 11 G CA 0.511 45.639 45.100 0.047 0.000 0.632 11 G HN 0.537 nan 8.290 nan 0.000 0.529 12 R N 0.270 120.792 120.500 0.037 0.000 2.389 12 R HA 0.443 4.784 4.340 0.001 0.000 0.295 12 R C 0.519 176.834 176.300 0.025 0.000 1.075 12 R CA -0.203 55.917 56.100 0.032 0.000 1.005 12 R CB 1.836 32.150 30.300 0.023 0.000 0.987 12 R HN 0.206 nan 8.270 nan 0.000 0.452 13 V N 5.995 125.923 119.914 0.023 0.000 2.585 13 V HA 0.066 4.187 4.120 0.001 0.000 0.296 13 V C -1.945 174.146 176.094 -0.005 0.000 1.035 13 V CA -1.617 60.686 62.300 0.005 0.000 1.084 13 V CB 0.688 32.508 31.823 -0.005 0.000 0.953 13 V HN 0.626 nan 8.190 nan 0.000 0.483 14 P HA 0.065 nan 4.420 nan 0.000 0.261 14 P C -0.882 176.404 177.300 -0.023 0.000 1.183 14 P CA 0.296 63.383 63.100 -0.022 0.000 0.761 14 P CB 0.350 32.020 31.700 -0.050 0.000 0.785 15 V N 5.936 125.844 119.914 -0.010 0.000 2.370 15 V HA 0.374 4.494 4.120 0.001 0.000 0.279 15 V C 0.418 176.512 176.094 -0.001 0.000 1.029 15 V CA -0.180 62.114 62.300 -0.010 0.000 0.870 15 V CB 0.744 32.564 31.823 -0.006 0.000 0.984 15 V HN 0.384 nan 8.190 nan 0.000 0.451 16 L N 3.340 124.561 121.223 -0.002 0.000 2.327 16 L HA 0.615 4.956 4.340 0.001 0.000 0.258 16 L C 0.414 177.288 176.870 0.006 0.000 1.024 16 L CA -0.693 54.157 54.840 0.017 0.000 0.825 16 L CB 2.632 44.717 42.059 0.044 0.000 1.386 16 L HN 0.701 nan 8.230 nan 0.000 0.417 17 S N 0.193 115.902 115.700 0.014 0.000 2.579 17 S HA 0.252 4.723 4.470 0.001 0.000 0.275 17 S C 1.121 175.720 174.600 -0.002 0.000 1.345 17 S CA 0.001 58.203 58.200 0.003 0.000 1.031 17 S CB 1.457 64.662 63.200 0.009 0.000 0.892 17 S HN 0.748 nan 8.310 nan 0.000 0.529 18 A N 1.839 124.643 122.820 -0.026 0.000 1.917 18 A HA -0.188 4.133 4.320 0.001 0.000 0.219 18 A C 2.233 179.808 177.584 -0.014 0.000 1.182 18 A CA 2.115 54.122 52.037 -0.050 0.000 0.633 18 A CB -1.200 17.754 19.000 -0.077 0.000 0.819 18 A HN 0.865 nan 8.150 nan 0.000 0.448 19 Q N -0.052 119.750 119.800 0.004 0.000 2.002 19 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 19 Q C 1.911 177.938 176.000 0.044 0.000 0.988 19 Q CA 2.106 57.922 55.803 0.022 0.000 0.843 19 Q CB -0.466 28.282 28.738 0.017 0.000 0.908 19 Q HN 0.817 nan 8.270 nan 0.000 0.420 20 E N 0.217 120.449 120.200 0.054 0.000 2.118 20 E HA -0.185 4.166 4.350 0.001 0.000 0.195 20 E C 1.914 178.626 176.600 0.186 0.000 0.992 20 E CA 0.966 57.422 56.400 0.094 0.000 0.804 20 E CB -0.237 29.523 29.700 0.100 0.000 0.741 20 E HN 0.397 nan 8.360 nan 0.000 0.458 21 A N 1.187 124.098 122.820 0.152 0.000 1.877 21 A HA -0.161 4.160 4.320 0.001 0.000 0.216 21 A C 2.550 180.287 177.584 0.255 0.000 1.186 21 A CA 1.720 53.871 52.037 0.189 0.000 0.620 21 A CB -0.945 18.085 19.000 0.049 0.000 0.822 21 A HN 0.253 nan 8.150 nan 0.000 0.443 22 V N -1.762 118.249 119.914 0.161 0.000 2.913 22 V HA -0.155 3.966 4.120 0.001 0.000 0.260 22 V C 1.627 177.825 176.094 0.173 0.000 1.098 22 V CA 2.078 64.497 62.300 0.198 0.000 1.121 22 V CB -1.192 30.733 31.823 0.169 0.000 0.714 22 V HN 0.426 nan 8.190 nan 0.000 0.487 23 N N 0.556 119.325 118.700 0.115 0.000 2.334 23 N HA -0.166 4.575 4.740 0.001 0.000 0.187 23 N C 1.415 176.884 175.510 -0.068 0.000 1.016 23 N CA 1.882 54.929 53.050 -0.005 0.000 0.879 23 N CB -0.567 37.860 38.487 -0.099 0.000 0.965 23 N HN 0.739 nan 8.380 nan 0.000 0.438 24 Y N 0.469 120.807 120.300 0.062 0.000 2.578 24 Y HA 0.173 4.724 4.550 0.000 0.000 0.297 24 Y C 0.658 176.594 175.900 0.061 0.000 1.176 24 Y CA -0.031 58.103 58.100 0.057 0.000 1.315 24 Y CB 0.007 38.501 38.460 0.057 0.000 1.031 24 Y HN -0.060 nan 8.280 nan 0.000 0.524 25 I N 3.982 124.662 120.570 0.183 0.000 2.337 25 I HA 0.158 4.328 4.170 0.001 0.000 0.291 25 I C -2.073 174.093 176.117 0.080 0.000 1.046 25 I CA -2.035 59.343 61.300 0.130 0.000 1.324 25 I CB 0.631 38.714 38.000 0.138 0.000 1.409 25 I HN -0.108 nan 8.210 nan 0.000 0.494 26 P HA 0.211 nan 4.420 nan 0.000 0.278 26 P C -0.953 176.367 177.300 0.034 0.000 1.266 26 P CA -0.611 62.512 63.100 0.039 0.000 0.807 26 P CB 0.678 32.396 31.700 0.030 0.000 1.094 27 D N 0.704 121.124 120.400 0.032 0.000 2.506 27 D HA -0.044 4.596 4.640 0.001 0.000 0.234 27 D C 0.722 177.027 176.300 0.009 0.000 1.143 27 D CA 0.770 54.788 54.000 0.030 0.000 0.871 27 D CB -0.070 40.750 40.800 0.032 0.000 1.190 27 D HN 0.478 nan 8.370 nan 0.000 0.459 28 E N -1.739 118.462 120.200 0.002 0.000 3.286 28 E HA -0.237 4.114 4.350 0.001 0.000 0.292 28 E C -0.294 176.275 176.600 -0.052 0.000 0.928 28 E CA 0.579 56.963 56.400 -0.027 0.000 0.982 28 E CB -1.238 28.444 29.700 -0.030 0.000 1.500 28 E HN 0.562 nan 8.360 nan 0.000 0.441 29 A N 0.859 123.657 122.820 -0.036 0.000 2.445 29 A HA 0.349 4.670 4.320 0.001 0.000 0.242 29 A C 0.519 178.056 177.584 -0.079 0.000 1.075 29 A CA 0.375 52.382 52.037 -0.049 0.000 0.777 29 A CB 0.532 19.518 19.000 -0.023 0.000 1.013 29 A HN 0.092 nan 8.150 nan 0.000 0.493 30 T N 2.799 117.293 114.554 -0.099 0.000 2.738 30 T HA 0.405 4.756 4.350 0.001 0.000 0.298 30 T C -0.369 174.271 174.700 -0.099 0.000 0.962 30 T CA 0.014 62.047 62.100 -0.112 0.000 0.972 30 T CB 0.144 68.914 68.868 -0.162 0.000 0.928 30 T HN 0.507 nan 8.240 nan 0.000 0.474 31 L N 4.492 125.646 121.223 -0.114 0.000 2.272 31 L HA 0.594 4.934 4.340 0.001 0.000 0.289 31 L C -0.448 176.322 176.870 -0.167 0.000 1.032 31 L CA -0.570 54.148 54.840 -0.203 0.000 0.810 31 L CB 0.684 42.552 42.059 -0.318 0.000 1.205 31 L HN 0.747 nan 8.230 nan 0.000 0.422 32 C N 5.929 125.134 119.300 -0.158 0.000 2.281 32 C HA 0.742 5.202 4.460 0.001 0.000 0.325 32 C C -0.314 174.619 174.990 -0.094 0.000 1.282 32 C CA -0.536 58.430 59.018 -0.088 0.000 1.640 32 C CB 0.336 28.057 27.740 -0.031 0.000 2.288 32 C HN 0.647 nan 8.230 nan 0.000 0.507 33 V N 7.869 127.751 119.914 -0.054 0.000 2.357 33 V HA 0.321 4.442 4.120 0.001 0.000 0.284 33 V C 0.117 176.248 176.094 0.061 0.000 1.018 33 V CA -0.550 61.761 62.300 0.019 0.000 0.841 33 V CB 1.118 32.953 31.823 0.020 0.000 0.991 33 V HN 0.818 nan 8.190 nan 0.000 0.437 34 L N 4.856 126.141 121.223 0.105 0.000 2.461 34 L HA 0.772 5.112 4.340 0.001 0.000 0.272 34 L C 0.580 177.506 176.870 0.093 0.000 1.197 34 L CA 1.606 56.507 54.840 0.102 0.000 0.836 34 L CB 0.689 42.825 42.059 0.129 0.000 1.105 34 L HN 0.988 nan 8.230 nan 0.000 0.477 35 G N 2.286 111.132 108.800 0.076 0.000 2.333 35 G HA2 0.553 4.513 3.960 0.001 0.000 0.330 35 G HA3 0.553 4.513 3.960 0.001 0.000 0.330 35 G C -1.641 173.278 174.900 0.033 0.000 1.465 35 G CA -0.239 44.891 45.100 0.051 0.000 0.996 35 G HN 1.090 nan 8.290 nan 0.000 0.655 36 A N -0.687 122.134 122.820 0.001 0.000 2.726 36 A HA 1.038 5.359 4.320 0.001 0.000 0.248 36 A C 0.863 178.414 177.584 -0.056 0.000 1.249 36 A CA 0.320 52.352 52.037 -0.009 0.000 0.846 36 A CB 0.604 19.605 19.000 0.002 0.000 1.391 36 A HN 2.422 nan 8.150 nan 0.000 0.497 37 G N -1.659 107.107 108.800 -0.058 0.000 2.491 37 G HA2 0.503 4.463 3.960 0.001 0.000 0.242 37 G HA3 0.503 4.463 3.960 0.001 0.000 0.242 37 G C 1.117 175.916 174.900 -0.168 0.000 1.266 37 G CA 0.613 45.669 45.100 -0.073 0.000 0.844 37 G HN 2.324 nan 8.290 nan 0.000 0.571 38 G N -0.471 108.184 108.800 -0.243 0.000 2.153 38 G HA2 0.192 4.152 3.960 0.001 0.000 0.252 38 G HA3 0.192 4.152 3.960 0.001 0.000 0.252 38 G C 1.373 175.714 174.900 -0.931 0.000 0.994 38 G CA 1.040 45.901 45.100 -0.398 0.000 0.698 38 G HN 2.615 nan 8.290 nan 0.000 0.521 39 G N -1.267 106.819 108.800 -1.190 0.000 2.176 39 G HA2 -0.210 3.751 3.960 0.001 0.000 0.232 39 G HA3 -0.210 3.751 3.960 0.001 0.000 0.232 39 G C 0.467 175.174 174.900 -0.321 0.000 0.986 39 G CA 0.126 44.669 45.100 -0.927 0.000 0.643 39 G HN 1.395 nan 8.290 nan 0.000 0.522 40 I N 1.554 121.986 120.570 -0.230 0.000 2.752 40 I HA 0.102 4.273 4.170 0.001 0.000 0.286 40 I C 1.813 177.908 176.117 -0.038 0.000 1.180 40 I CA 0.561 61.803 61.300 -0.096 0.000 1.404 40 I CB 0.236 38.197 38.000 -0.066 0.000 1.389 40 I HN 0.306 nan 8.210 nan 0.000 0.549 41 L N 4.495 125.719 121.223 0.002 0.000 3.843 41 L HA -0.239 4.101 4.340 0.001 0.000 0.411 41 L C 0.652 177.550 176.870 0.047 0.000 1.205 41 L CA 0.504 55.376 54.840 0.053 0.000 0.945 41 L CB -0.994 41.136 42.059 0.119 0.000 1.929 41 L HN 0.719 nan 8.230 nan 0.000 0.934 42 E N 0.680 120.891 120.200 0.018 0.000 2.200 42 E HA 0.454 4.804 4.350 0.001 0.000 0.283 42 E C 0.518 177.150 176.600 0.053 0.000 1.015 42 E CA 0.241 56.670 56.400 0.048 0.000 0.819 42 E CB 1.231 30.957 29.700 0.043 0.000 1.081 42 E HN 0.293 nan 8.360 nan 0.000 0.397 43 A N 4.500 127.357 122.820 0.062 0.000 3.037 43 A HA 0.096 4.417 4.320 0.001 0.000 0.272 43 A C 1.086 178.664 177.584 -0.011 0.000 1.723 43 A CA -0.210 51.830 52.037 0.005 0.000 1.413 43 A CB -0.373 18.613 19.000 -0.023 0.000 1.112 43 A HN 0.780 nan 8.150 nan 0.000 0.606 44 T N 0.668 115.239 114.554 0.029 0.000 2.720 44 T HA -0.194 4.156 4.350 0.001 0.000 0.268 44 T C 2.383 177.076 174.700 -0.011 0.000 1.037 44 T CA 2.373 64.503 62.100 0.051 0.000 1.144 44 T CB -0.365 68.563 68.868 0.100 0.000 0.864 44 T HN 0.906 nan 8.240 nan 0.000 0.444 45 T N 1.267 115.792 114.554 -0.047 0.000 2.759 45 T HA -0.028 4.323 4.350 0.001 0.000 0.269 45 T C 2.005 176.622 174.700 -0.138 0.000 1.042 45 T CA 0.954 63.011 62.100 -0.072 0.000 1.140 45 T CB -0.720 68.107 68.868 -0.068 0.000 0.864 45 T HN 0.300 nan 8.240 nan 0.000 0.455 46 L N 0.027 121.085 121.223 -0.275 0.000 2.072 46 L HA 0.124 4.465 4.340 0.001 0.000 0.205 46 L C 2.820 179.440 176.870 -0.417 0.000 1.079 46 L CA 1.089 55.582 54.840 -0.578 0.000 0.752 46 L CB -0.492 40.831 42.059 -1.227 0.000 0.906 46 L HN 0.242 nan 8.230 nan 0.000 0.436 47 I N -0.647 119.833 120.570 -0.150 0.000 2.127 47 I HA -0.305 3.866 4.170 0.001 0.000 0.241 47 I C 2.555 178.722 176.117 0.084 0.000 1.075 47 I CA 1.599 62.985 61.300 0.143 0.000 1.334 47 I CB -0.667 37.437 38.000 0.173 0.000 1.040 47 I HN 0.227 nan 8.210 nan 0.000 0.405 48 T N 0.738 115.310 114.554 0.029 0.000 2.665 48 T HA -0.239 4.112 4.350 0.001 0.000 0.268 48 T C 1.979 176.697 174.700 0.030 0.000 1.035 48 T CA 1.821 63.937 62.100 0.026 0.000 1.151 48 T CB -0.322 68.549 68.868 0.006 0.000 0.862 48 T HN 0.519 nan 8.240 nan 0.000 0.438 49 A N 0.703 123.527 122.820 0.006 0.000 1.929 49 A HA 0.068 4.389 4.320 0.001 0.000 0.216 49 A C 2.204 179.827 177.584 0.065 0.000 1.176 49 A CA 1.070 53.119 52.037 0.019 0.000 0.628 49 A CB -0.642 18.350 19.000 -0.014 0.000 0.816 49 A HN 0.423 nan 8.150 nan 0.000 0.444 50 L N -0.209 121.075 121.223 0.102 0.000 2.056 50 L HA -0.006 4.335 4.340 0.001 0.000 0.207 50 L C 2.595 179.558 176.870 0.155 0.000 1.078 50 L CA 2.101 57.042 54.840 0.169 0.000 0.749 50 L CB -0.764 41.466 42.059 0.285 0.000 0.901 50 L HN 0.317 nan 8.230 nan 0.000 0.433 51 A N -0.692 122.205 122.820 0.129 0.000 1.902 51 A HA -0.208 4.112 4.320 0.001 0.000 0.217 51 A C 1.965 179.626 177.584 0.128 0.000 1.181 51 A CA 1.839 53.949 52.037 0.121 0.000 0.623 51 A CB -0.865 18.187 19.000 0.088 0.000 0.818 51 A HN 0.513 nan 8.150 nan 0.000 0.443 52 D N -0.462 119.993 120.400 0.092 0.000 2.117 52 D HA -0.156 4.484 4.640 0.001 0.000 0.197 52 D C 1.893 178.240 176.300 0.078 0.000 0.987 52 D CA 1.634 55.676 54.000 0.071 0.000 0.829 52 D CB -0.242 40.585 40.800 0.045 0.000 0.961 52 D HN 0.619 nan 8.370 nan 0.000 0.460 53 K N -0.602 119.854 120.400 0.094 0.000 2.057 53 K HA -0.202 4.119 4.320 0.001 0.000 0.207 53 K C 2.239 178.899 176.600 0.099 0.000 1.049 53 K CA 0.868 57.206 56.287 0.085 0.000 0.931 53 K CB -0.261 32.296 32.500 0.094 0.000 0.714 53 K HN 0.113 nan 8.250 nan 0.000 0.440 54 Y N 1.715 122.037 120.300 0.037 0.000 2.145 54 Y HA -0.253 4.298 4.550 0.001 0.000 0.286 54 Y C 2.349 178.265 175.900 0.026 0.000 1.145 54 Y CA 2.265 60.386 58.100 0.033 0.000 1.148 54 Y CB -0.155 38.330 38.460 0.041 0.000 0.981 54 Y HN 0.050 nan 8.280 nan 0.000 0.507 55 K N 0.020 120.501 120.400 0.134 0.000 2.020 55 K HA -0.296 4.025 4.320 0.001 0.000 0.212 55 K C 2.086 178.662 176.600 -0.041 0.000 1.050 55 K CA 2.400 58.716 56.287 0.048 0.000 0.929 55 K CB -0.264 32.279 32.500 0.073 0.000 0.714 55 K HN 0.475 nan 8.250 nan 0.000 0.443 56 Q N -1.163 118.622 119.800 -0.026 0.000 2.172 56 Q HA -0.078 4.263 4.340 0.001 0.000 0.200 56 Q C 1.495 177.449 176.000 -0.076 0.000 0.964 56 Q CA 1.738 57.517 55.803 -0.038 0.000 0.855 56 Q CB 0.357 29.087 28.738 -0.014 0.000 0.918 56 Q HN 0.602 nan 8.270 nan 0.000 0.444 57 T N -4.985 109.499 114.554 -0.116 0.000 3.016 57 T HA 0.132 4.482 4.350 0.001 0.000 0.271 57 T C 0.186 174.748 174.700 -0.231 0.000 0.968 57 T CA -0.158 61.865 62.100 -0.128 0.000 0.891 57 T CB 0.539 69.368 68.868 -0.065 0.000 1.149 57 T HN 0.013 nan 8.240 nan 0.000 0.524 58 Q N 1.829 121.335 119.800 -0.489 0.000 2.450 58 Q HA -0.152 4.189 4.340 0.001 0.000 0.255 58 Q C 0.151 175.892 176.000 -0.432 0.000 1.003 58 Q CA 1.561 56.833 55.803 -0.886 0.000 1.097 58 Q CB -2.652 25.793 28.738 -0.487 0.000 1.544 58 Q HN 0.957 nan 8.270 nan 0.000 0.531 59 T N -3.645 110.820 114.554 -0.149 0.000 2.907 59 T HA 0.831 5.181 4.350 0.001 0.000 0.292 59 T C -2.705 172.141 174.700 0.243 0.000 1.043 59 T CA -2.061 60.103 62.100 0.105 0.000 1.003 59 T CB 3.292 72.184 68.868 0.039 0.000 1.084 59 T HN -0.148 nan 8.240 nan 0.000 0.483 60 P HA 0.469 nan 4.420 nan 0.000 0.293 60 P C -0.799 176.640 177.300 0.232 0.000 1.304 60 P CA -0.834 62.371 63.100 0.175 0.000 0.767 60 P CB 0.951 32.718 31.700 0.111 0.000 1.247 61 R N -0.167 120.422 120.500 0.148 0.000 2.778 61 R HA 0.322 4.663 4.340 0.001 0.000 0.277 61 R C -0.137 176.204 176.300 0.068 0.000 0.977 61 R CA -0.737 55.449 56.100 0.142 0.000 0.950 61 R CB 0.631 31.008 30.300 0.128 0.000 1.165 61 R HN 0.482 nan 8.270 nan 0.000 0.474 62 N N 1.186 119.916 118.700 0.050 0.000 2.725 62 N HA -0.185 4.556 4.740 0.001 0.000 0.251 62 N C -0.516 175.008 175.510 0.024 0.000 1.031 62 N CA 0.736 53.810 53.050 0.039 0.000 0.720 62 N CB -1.124 37.390 38.487 0.045 0.000 0.930 62 N HN 0.492 nan 8.380 nan 0.000 0.543 63 L N 0.041 121.270 121.223 0.010 0.000 2.439 63 L HA 0.167 4.508 4.340 0.001 0.000 0.269 63 L C 1.024 177.921 176.870 0.045 0.000 1.179 63 L CA 0.121 54.962 54.840 0.001 0.000 0.828 63 L CB 0.657 42.703 42.059 -0.021 0.000 1.106 63 L HN 0.042 nan 8.230 nan 0.000 0.467 64 S N 3.041 118.753 115.700 0.020 0.000 2.508 64 S HA 0.563 5.033 4.470 0.001 0.000 0.284 64 S C -0.198 174.486 174.600 0.140 0.000 1.192 64 S CA -0.546 57.736 58.200 0.137 0.000 1.070 64 S CB 1.259 64.350 63.200 -0.180 0.000 1.004 64 S HN 0.254 nan 8.310 nan 0.000 0.493 65 I N 3.540 124.271 120.570 0.267 0.000 2.433 65 I HA 0.464 4.634 4.170 0.001 0.000 0.292 65 I C -0.520 175.686 176.117 0.148 0.000 1.001 65 I CA -0.481 60.882 61.300 0.105 0.000 1.119 65 I CB 1.495 39.498 38.000 0.006 0.000 1.289 65 I HN 0.535 nan 8.210 nan 0.000 0.438 66 I N 4.223 124.825 120.570 0.054 0.000 2.418 66 I HA 0.237 4.408 4.170 0.001 0.000 0.287 66 I C 0.054 176.146 176.117 -0.041 0.000 1.008 66 I CA -0.327 60.989 61.300 0.026 0.000 1.104 66 I CB 1.963 39.994 38.000 0.051 0.000 1.264 66 I HN 0.451 nan 8.210 nan 0.000 0.438 67 S N 7.657 123.306 115.700 -0.085 0.000 2.622 67 S HA 0.405 4.876 4.470 0.001 0.000 0.283 67 S C -1.806 172.763 174.600 -0.052 0.000 1.197 67 S CA -1.570 56.581 58.200 -0.082 0.000 1.146 67 S CB 0.927 64.038 63.200 -0.149 0.000 1.007 67 S HN 0.297 nan 8.310 nan 0.000 0.478 68 P HA -0.093 nan 4.420 nan 0.000 0.217 68 P C 0.735 178.056 177.300 0.036 0.000 1.158 68 P CA 1.345 64.454 63.100 0.014 0.000 0.887 68 P CB 0.189 31.908 31.700 0.032 0.000 0.792 69 T N -3.241 111.342 114.554 0.048 0.000 2.693 69 T HA 0.639 4.989 4.350 0.001 0.000 0.278 69 T C -0.580 174.157 174.700 0.062 0.000 0.994 69 T CA -0.669 61.481 62.100 0.083 0.000 1.033 69 T CB 0.854 69.786 68.868 0.107 0.000 1.342 69 T HN -0.102 nan 8.240 nan 0.000 0.538 70 G N 1.771 110.629 108.800 0.098 0.000 2.351 70 G HA2 0.537 4.498 3.960 0.001 0.000 0.287 70 G HA3 0.537 4.498 3.960 0.001 0.000 0.287 70 G C -0.829 174.106 174.900 0.058 0.000 1.159 70 G CA -0.243 44.931 45.100 0.124 0.000 0.929 70 G HN 0.521 nan 8.290 nan 0.000 0.435 71 L N 2.013 123.270 121.223 0.056 0.000 2.379 71 L HA 0.819 5.160 4.340 0.001 0.000 0.269 71 L C 1.021 177.957 176.870 0.110 0.000 1.084 71 L CA 1.166 56.043 54.840 0.062 0.000 0.802 71 L CB 1.295 43.397 42.059 0.071 0.000 1.175 71 L HN 1.041 nan 8.230 nan 0.000 0.448 72 G N 1.307 110.199 108.800 0.154 0.000 2.409 72 G HA2 -0.014 3.947 3.960 0.001 0.000 0.421 72 G HA3 -0.014 3.947 3.960 0.001 0.000 0.421 72 G C -0.825 174.260 174.900 0.308 0.000 1.259 72 G CA -0.031 45.244 45.100 0.291 0.000 1.011 72 G HN 0.799 nan 8.290 nan 0.000 0.497 73 D N -0.907 119.661 120.400 0.279 0.000 2.650 73 D HA 0.249 4.890 4.640 0.001 0.000 0.265 73 D C 0.920 177.300 176.300 0.133 0.000 1.339 73 D CA -0.145 53.988 54.000 0.222 0.000 0.816 73 D CB -0.140 40.791 40.800 0.219 0.000 1.091 73 D HN 0.915 nan 8.370 nan 0.000 0.483 74 R N -0.880 119.698 120.500 0.129 0.000 3.770 74 R HA -0.147 4.193 4.340 0.001 0.000 0.305 74 R C 0.262 176.607 176.300 0.076 0.000 1.184 74 R CA 0.918 57.083 56.100 0.108 0.000 0.823 74 R CB -2.055 28.308 30.300 0.105 0.000 1.285 74 R HN 0.486 nan 8.270 nan 0.000 0.499 75 A N -0.591 122.270 122.820 0.068 0.000 2.588 75 A HA 0.295 4.616 4.320 0.001 0.000 0.172 75 A C -0.233 177.370 177.584 0.033 0.000 1.149 75 A CA -0.267 51.795 52.037 0.041 0.000 1.987 75 A CB 0.336 19.353 19.000 0.028 0.000 2.500 75 A HN 0.078 nan 8.150 nan 0.000 0.982 76 D N 0.491 120.897 120.400 0.011 0.000 2.369 76 D HA 0.201 4.842 4.640 0.001 0.000 0.211 76 D C 0.725 177.018 176.300 -0.011 0.000 1.077 76 D CA 0.102 54.104 54.000 0.003 0.000 0.842 76 D CB 0.523 41.319 40.800 -0.006 0.000 0.947 76 D HN 0.282 nan 8.370 nan 0.000 0.509 77 R N 0.207 120.694 120.500 -0.022 0.000 2.523 77 R HA 0.501 4.842 4.340 0.001 0.000 0.216 77 R C 1.166 177.520 176.300 0.089 0.000 1.279 77 R CA -0.122 55.954 56.100 -0.040 0.000 1.015 77 R CB -0.078 30.051 30.300 -0.286 0.000 1.756 77 R HN 0.011 nan 8.270 nan 0.000 0.528 78 G N 1.024 109.950 108.800 0.210 0.000 2.550 78 G HA2 -0.328 3.632 3.960 0.001 0.000 0.277 78 G HA3 -0.328 3.632 3.960 0.001 0.000 0.277 78 G C 0.613 175.587 174.900 0.123 0.000 1.190 78 G CA 0.405 45.624 45.100 0.199 0.000 0.971 78 G HN 0.733 nan 8.290 nan 0.000 0.559 79 I N -1.654 118.964 120.570 0.079 0.000 3.810 79 I HA 0.397 4.568 4.170 0.001 0.000 0.322 79 I C 2.030 178.166 176.117 0.032 0.000 1.288 79 I CA 1.096 62.426 61.300 0.050 0.000 1.143 79 I CB 0.256 38.261 38.000 0.008 0.000 1.012 79 I HN 0.241 nan 8.210 nan 0.000 0.423 80 S N 2.555 118.280 115.700 0.041 0.000 2.370 80 S HA -0.053 4.418 4.470 0.001 0.000 0.226 80 S C -0.406 174.211 174.600 0.028 0.000 1.033 80 S CA 1.725 59.945 58.200 0.033 0.000 1.011 80 S CB -1.078 62.144 63.200 0.036 0.000 0.852 80 S HN 0.446 nan 8.310 nan 0.000 0.457 81 P HA -0.018 nan 4.420 nan 0.000 0.223 81 P C 0.782 178.101 177.300 0.032 0.000 1.144 81 P CA 0.824 63.946 63.100 0.036 0.000 0.783 81 P CB -0.117 31.610 31.700 0.044 0.000 0.771 82 L N -1.792 119.443 121.223 0.020 0.000 2.599 82 L HA 0.124 4.465 4.340 0.001 0.000 0.230 82 L C 1.746 178.586 176.870 -0.050 0.000 1.141 82 L CA 0.154 54.985 54.840 -0.014 0.000 0.877 82 L CB -0.569 41.488 42.059 -0.004 0.000 1.009 82 L HN -0.065 nan 8.230 nan 0.000 0.447 83 A N -0.490 122.319 122.820 -0.019 0.000 2.291 83 A HA 0.063 4.384 4.320 0.001 0.000 0.220 83 A C 0.706 178.279 177.584 -0.019 0.000 1.262 83 A CA -0.197 51.832 52.037 -0.014 0.000 0.867 83 A CB -0.432 18.576 19.000 0.013 0.000 0.888 83 A HN 0.377 nan 8.150 nan 0.000 0.487 84 Q N 1.237 121.008 119.800 -0.049 0.000 2.297 84 Q HA 0.113 4.453 4.340 0.001 0.000 0.267 84 Q C -0.424 175.549 176.000 -0.044 0.000 1.006 84 Q CA 0.013 55.816 55.803 -0.001 0.000 0.896 84 Q CB 0.633 29.424 28.738 0.088 0.000 1.186 84 Q HN 0.493 nan 8.270 nan 0.000 0.392 85 E N 0.830 121.064 120.200 0.056 0.000 2.480 85 E HA -0.022 4.329 4.350 0.001 0.000 0.258 85 E C 0.715 177.370 176.600 0.091 0.000 0.984 85 E CA 0.880 57.312 56.400 0.054 0.000 0.930 85 E CB 0.325 30.068 29.700 0.071 0.000 0.936 85 E HN 0.964 nan 8.360 nan 0.000 0.466 86 G N 2.796 111.614 108.800 0.030 0.000 2.232 86 G HA2 -0.290 3.671 3.960 0.001 0.000 0.226 86 G HA3 -0.290 3.671 3.960 0.001 0.000 0.226 86 G C 0.644 175.516 174.900 -0.047 0.000 0.996 86 G CA 0.262 45.409 45.100 0.079 0.000 0.626 86 G HN 0.514 nan 8.290 nan 0.000 0.509 87 L N 0.988 121.947 121.223 -0.440 0.000 2.044 87 L HA 0.472 4.813 4.340 0.001 0.000 0.205 87 L C 1.201 177.942 176.870 -0.213 0.000 1.075 87 L CA 1.715 56.178 54.840 -0.628 0.000 0.747 87 L CB -0.039 41.401 42.059 -1.032 0.000 0.903 87 L HN 0.246 nan 8.230 nan 0.000 0.435 88 V N 0.502 120.337 119.914 -0.132 0.000 2.513 88 V HA 0.264 4.384 4.120 0.001 0.000 0.299 88 V C 0.594 176.716 176.094 0.046 0.000 1.035 88 V CA -0.219 62.071 62.300 -0.018 0.000 0.889 88 V CB 1.439 33.259 31.823 -0.004 0.000 0.988 88 V HN 0.475 nan 8.190 nan 0.000 0.440 89 K N 2.309 122.777 120.400 0.113 0.000 2.402 89 K HA 0.233 4.554 4.320 0.001 0.000 0.203 89 K C -0.271 176.494 176.600 0.275 0.000 1.077 89 K CA -0.309 56.072 56.287 0.156 0.000 1.051 89 K CB 0.885 33.466 32.500 0.134 0.000 0.907 89 K HN 0.553 nan 8.250 nan 0.000 0.554 90 W N 0.205 121.538 121.300 0.055 0.000 3.707 90 W HA 0.519 5.180 4.660 0.003 0.000 0.294 90 W C -2.331 174.249 176.519 0.101 0.000 1.248 90 W CA -0.295 57.109 57.345 0.099 0.000 1.217 90 W CB 1.819 31.332 29.460 0.089 0.000 1.306 90 W HN 0.015 nan 8.180 nan 0.000 0.532 91 A N 5.116 127.893 122.820 -0.071 0.000 2.459 91 A HA 0.705 5.026 4.320 0.001 0.000 0.296 91 A C -2.579 174.823 177.584 -0.303 0.000 1.039 91 A CA -0.671 51.321 52.037 -0.075 0.000 0.698 91 A CB 1.562 20.541 19.000 -0.035 0.000 1.261 91 A HN 0.991 nan 8.150 nan 0.000 0.405 92 L N 2.455 123.512 121.223 -0.277 0.000 2.319 92 L HA 0.835 5.175 4.340 0.001 0.000 0.281 92 L C -1.047 175.750 176.870 -0.122 0.000 1.005 92 L CA -0.295 54.444 54.840 -0.168 0.000 0.828 92 L CB 0.846 42.735 42.059 -0.283 0.000 1.227 92 L HN 0.713 nan 8.230 nan 0.000 0.415 93 C N 2.776 122.041 119.300 -0.059 0.000 2.797 93 C HA 0.630 5.091 4.460 0.001 0.000 0.306 93 C C 1.459 176.481 174.990 0.054 0.000 1.207 93 C CA -0.293 58.578 59.018 -0.246 0.000 1.507 93 C CB 1.639 28.791 27.740 -0.979 0.000 2.028 93 C HN 0.981 nan 8.230 nan 0.000 0.475 94 G N -0.335 108.500 108.800 0.059 0.000 2.511 94 G HA2 0.052 4.013 3.960 0.001 0.000 0.217 94 G HA3 0.052 4.013 3.960 0.001 0.000 0.217 94 G C 0.445 175.533 174.900 0.313 0.000 1.133 94 G CA 0.867 46.077 45.100 0.184 0.000 0.792 94 G HN 0.822 nan 8.290 nan 0.000 0.539 95 H N -2.676 116.465 119.070 0.119 0.000 2.974 95 H HA 0.227 4.784 4.556 0.001 0.000 0.366 95 H C -0.845 174.521 175.328 0.064 0.000 1.155 95 H CA -0.812 55.355 56.048 0.198 0.000 1.186 95 H CB 1.421 31.277 29.762 0.156 0.000 1.799 95 H HN 0.038 nan 8.280 nan 0.000 0.541 96 W N 2.024 123.102 121.300 -0.369 0.000 2.893 96 W HA 0.236 4.896 4.660 0.001 0.000 0.253 96 W C 2.270 178.690 176.519 -0.165 0.000 1.171 96 W CA 0.901 58.139 57.345 -0.179 0.000 1.480 96 W CB 0.033 29.404 29.460 -0.149 0.000 0.963 96 W HN 0.799 nan 8.180 nan 0.000 0.637 97 G N 0.069 108.781 108.800 -0.148 0.000 2.470 97 G HA2 -0.289 3.672 3.960 0.001 0.000 0.220 97 G HA3 -0.289 3.672 3.960 0.001 0.000 0.220 97 G C 1.333 176.355 174.900 0.203 0.000 1.121 97 G CA 1.189 46.312 45.100 0.038 0.000 0.766 97 G HN 0.190 nan 8.290 nan 0.000 0.553 98 Q N 0.446 120.459 119.800 0.355 0.000 2.167 98 Q HA 0.070 4.411 4.340 0.001 0.000 0.202 98 Q C 0.951 177.046 176.000 0.159 0.000 0.970 98 Q CA 0.720 56.684 55.803 0.269 0.000 0.855 98 Q CB 0.067 28.955 28.738 0.250 0.000 0.911 98 Q HN 0.316 nan 8.270 nan 0.000 0.438 99 S N 1.645 117.416 115.700 0.117 0.000 2.457 99 S HA 0.236 4.707 4.470 0.001 0.000 0.216 99 S C -2.170 172.473 174.600 0.071 0.000 1.392 99 S CA -1.096 57.149 58.200 0.075 0.000 1.102 99 S CB 1.240 64.462 63.200 0.037 0.000 1.114 99 S HN 0.281 nan 8.310 nan 0.000 0.484 100 P HA -0.025 nan 4.420 nan 0.000 0.226 100 P C 1.182 178.515 177.300 0.055 0.000 1.153 100 P CA 0.523 63.661 63.100 0.064 0.000 0.777 100 P CB 0.360 32.086 31.700 0.044 0.000 0.794 101 R N -0.261 120.267 120.500 0.047 0.000 2.120 101 R HA -0.011 4.329 4.340 0.001 0.000 0.234 101 R C 2.363 178.694 176.300 0.053 0.000 1.123 101 R CA 1.055 57.179 56.100 0.040 0.000 0.975 101 R CB -1.098 29.220 30.300 0.031 0.000 0.866 101 R HN 0.182 nan 8.270 nan 0.000 0.446 102 I N 0.081 120.690 120.570 0.064 0.000 2.233 102 I HA -0.195 3.975 4.170 0.001 0.000 0.243 102 I C 2.043 178.288 176.117 0.213 0.000 1.093 102 I CA 1.630 62.986 61.300 0.093 0.000 1.380 102 I CB -1.204 36.803 38.000 0.011 0.000 1.067 102 I HN 0.225 nan 8.210 nan 0.000 0.413 103 S N 0.433 116.286 115.700 0.255 0.000 2.402 103 S HA -0.171 4.300 4.470 0.001 0.000 0.229 103 S C 1.559 176.211 174.600 0.088 0.000 1.021 103 S CA 1.040 59.417 58.200 0.296 0.000 0.974 103 S CB -0.431 62.937 63.200 0.280 0.000 0.800 103 S HN 0.321 nan 8.310 nan 0.000 0.484 104 D N 2.268 122.702 120.400 0.057 0.000 2.116 104 D HA -0.060 4.581 4.640 0.001 0.000 0.193 104 D C 1.958 178.265 176.300 0.012 0.000 0.998 104 D CA 1.197 55.206 54.000 0.013 0.000 0.836 104 D CB -0.564 40.245 40.800 0.014 0.000 0.951 104 D HN 0.372 nan 8.370 nan 0.000 0.449 105 L N 0.430 121.677 121.223 0.040 0.000 2.079 105 L HA -0.206 4.135 4.340 0.001 0.000 0.210 105 L C 2.471 179.348 176.870 0.013 0.000 1.081 105 L CA 1.259 56.120 54.840 0.034 0.000 0.752 105 L CB -0.431 41.662 42.059 0.056 0.000 0.896 105 L HN 0.010 nan 8.230 nan 0.000 0.433 106 A N -0.187 122.643 122.820 0.016 0.000 1.897 106 A HA -0.188 4.132 4.320 0.001 0.000 0.215 106 A C 2.133 179.641 177.584 -0.126 0.000 1.181 106 A CA 1.365 53.353 52.037 -0.082 0.000 0.620 106 A CB -0.380 18.499 19.000 -0.201 0.000 0.821 106 A HN 0.401 nan 8.150 nan 0.000 0.443 107 E N -0.205 119.929 120.200 -0.110 0.000 2.085 107 E HA -0.230 4.120 4.350 0.001 0.000 0.194 107 E C 1.863 178.414 176.600 -0.083 0.000 0.994 107 E CA 1.477 57.810 56.400 -0.113 0.000 0.801 107 E CB -0.161 29.480 29.700 -0.098 0.000 0.743 107 E HN 0.717 nan 8.360 nan 0.000 0.453 108 Q N 0.189 119.956 119.800 -0.056 0.000 2.415 108 Q HA 0.050 4.390 4.340 0.001 0.000 0.206 108 Q C -0.211 175.767 176.000 -0.038 0.000 0.946 108 Q CA -0.140 55.640 55.803 -0.039 0.000 0.951 108 Q CB 0.239 28.964 28.738 -0.021 0.000 1.026 108 Q HN 0.222 nan 8.270 nan 0.000 0.510 109 N N 0.530 119.197 118.700 -0.054 0.000 2.725 109 N HA -0.192 4.549 4.740 0.001 0.000 0.249 109 N C 0.098 175.593 175.510 -0.025 0.000 1.103 109 N CA 0.754 53.774 53.050 -0.051 0.000 0.707 109 N CB -0.335 38.124 38.487 -0.047 0.000 1.043 109 N HN 0.376 nan 8.380 nan 0.000 0.553 110 K N -0.014 120.379 120.400 -0.012 0.000 2.361 110 K HA 0.144 4.465 4.320 0.001 0.000 0.196 110 K C 1.344 177.958 176.600 0.024 0.000 1.039 110 K CA 0.623 56.916 56.287 0.010 0.000 1.001 110 K CB 0.589 33.099 32.500 0.017 0.000 0.795 110 K HN 0.580 nan 8.250 nan 0.000 0.495 111 I N -2.243 118.337 120.570 0.016 0.000 2.865 111 I HA 0.424 4.595 4.170 0.001 0.000 0.302 111 I C -0.532 175.578 176.117 -0.012 0.000 1.140 111 I CA -1.348 59.976 61.300 0.040 0.000 1.021 111 I CB 1.670 39.717 38.000 0.078 0.000 1.233 111 I HN -0.285 nan 8.210 nan 0.000 0.427 112 I N 3.707 124.282 120.570 0.008 0.000 2.588 112 I HA 0.494 4.665 4.170 0.001 0.000 0.283 112 I C 0.395 176.338 176.117 -0.289 0.000 1.119 112 I CA 0.196 61.420 61.300 -0.127 0.000 1.419 112 I CB 1.142 39.167 38.000 0.042 0.000 1.394 112 I HN 0.795 nan 8.210 nan 0.000 0.562 113 A N 6.719 129.253 122.820 -0.476 0.000 2.442 113 A HA 0.719 5.040 4.320 0.001 0.000 0.284 113 A C -1.463 175.787 177.584 -0.556 0.000 1.058 113 A CA -0.385 51.422 52.037 -0.385 0.000 0.738 113 A CB 0.601 19.330 19.000 -0.451 0.000 1.242 113 A HN 0.580 nan 8.150 nan 0.000 0.421 114 Y N 0.558 120.775 120.300 -0.139 0.000 2.570 114 Y HA 0.590 5.141 4.550 0.002 0.000 0.345 114 Y C 0.390 176.414 175.900 0.206 0.000 1.014 114 Y CA -0.728 57.343 58.100 -0.047 0.000 1.063 114 Y CB 2.422 40.797 38.460 -0.143 0.000 1.272 114 Y HN 0.735 nan 8.280 nan 0.000 0.477 115 N N 1.327 120.277 118.700 0.416 0.000 2.617 115 N HA 0.254 4.995 4.740 0.001 0.000 0.263 115 N C -1.758 174.021 175.510 0.449 0.000 1.074 115 N CA -0.420 52.930 53.050 0.499 0.000 0.841 115 N CB 0.556 39.342 38.487 0.498 0.000 1.221 115 N HN 0.437 nan 8.380 nan 0.000 0.529 116 Y N 2.097 122.520 120.300 0.205 0.000 2.326 116 Y HA 0.307 4.857 4.550 0.000 0.000 0.333 116 Y C -1.840 174.101 175.900 0.068 0.000 1.240 116 Y CA -2.309 55.856 58.100 0.108 0.000 1.365 116 Y CB 0.156 38.630 38.460 0.022 0.000 1.289 116 Y HN 0.469 nan 8.280 nan 0.000 0.548 117 P HA -0.036 nan 4.420 nan 0.000 0.265 117 P C 0.651 177.948 177.300 -0.004 0.000 1.193 117 P CA 0.240 63.392 63.100 0.087 0.000 0.765 117 P CB 0.496 32.202 31.700 0.010 0.000 0.823 118 Q N 2.869 122.661 119.800 -0.014 0.000 2.133 118 Q HA -0.215 4.126 4.340 0.001 0.000 0.208 118 Q C 1.986 177.665 176.000 -0.535 0.000 0.991 118 Q CA 2.494 58.201 55.803 -0.160 0.000 0.867 118 Q CB -0.828 27.876 28.738 -0.057 0.000 0.911 118 Q HN 0.680 nan 8.270 nan 0.000 0.417 119 G N -0.392 107.803 108.800 -1.008 0.000 2.394 119 G HA2 -0.180 3.780 3.960 0.001 0.000 0.215 119 G HA3 -0.180 3.780 3.960 0.001 0.000 0.215 119 G C 1.413 176.104 174.900 -0.349 0.000 1.165 119 G CA 0.803 45.162 45.100 -1.236 0.000 0.784 119 G HN 0.298 nan 8.290 nan 0.000 0.535 120 V N 0.815 120.620 119.914 -0.181 0.000 2.343 120 V HA -0.138 3.983 4.120 0.001 0.000 0.247 120 V C 2.683 178.666 176.094 -0.186 0.000 1.051 120 V CA 1.601 63.749 62.300 -0.253 0.000 1.036 120 V CB -0.443 30.950 31.823 -0.718 0.000 0.654 120 V HN 0.347 nan 8.190 nan 0.000 0.451 121 L N 0.197 121.376 121.223 -0.074 0.000 1.989 121 L HA -0.174 4.167 4.340 0.001 0.000 0.211 121 L C 2.608 179.491 176.870 0.021 0.000 1.071 121 L CA 2.811 57.708 54.840 0.095 0.000 0.749 121 L CB -1.292 40.824 42.059 0.094 0.000 0.890 121 L HN 0.404 nan 8.230 nan 0.000 0.431 122 T N -1.534 112.993 114.554 -0.044 0.000 2.833 122 T HA -0.219 4.132 4.350 0.001 0.000 0.269 122 T C 1.840 176.537 174.700 -0.005 0.000 1.054 122 T CA 1.760 63.852 62.100 -0.015 0.000 1.135 122 T CB -0.104 68.763 68.868 -0.002 0.000 0.869 122 T HN 0.578 nan 8.240 nan 0.000 0.466 123 Q N 0.126 119.909 119.800 -0.028 0.000 2.167 123 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 123 Q C 2.645 178.644 176.000 -0.001 0.000 0.970 123 Q CA 1.852 57.647 55.803 -0.012 0.000 0.855 123 Q CB -0.269 28.461 28.738 -0.013 0.000 0.911 123 Q HN 0.741 nan 8.270 nan 0.000 0.438 124 T N -1.180 113.377 114.554 0.004 0.000 2.951 124 T HA -0.039 4.312 4.350 0.001 0.000 0.268 124 T C 1.828 176.560 174.700 0.053 0.000 1.073 124 T CA 0.528 62.652 62.100 0.040 0.000 1.134 124 T CB -0.198 68.742 68.868 0.120 0.000 0.884 124 T HN 0.126 nan 8.240 nan 0.000 0.479 125 L N 0.166 121.417 121.223 0.046 0.000 2.056 125 L HA 0.080 4.420 4.340 0.001 0.000 0.207 125 L C 3.242 180.138 176.870 0.042 0.000 1.078 125 L CA 1.321 56.187 54.840 0.043 0.000 0.749 125 L CB -0.490 41.590 42.059 0.036 0.000 0.901 125 L HN 0.203 nan 8.230 nan 0.000 0.433 126 R N 0.200 120.720 120.500 0.032 0.000 2.081 126 R HA -0.182 4.159 4.340 0.001 0.000 0.235 126 R C 2.337 178.659 176.300 0.037 0.000 1.131 126 R CA 1.466 57.583 56.100 0.028 0.000 0.960 126 R CB -0.237 30.073 30.300 0.016 0.000 0.856 126 R HN 0.352 nan 8.270 nan 0.000 0.436 127 A N 0.501 123.344 122.820 0.038 0.000 1.933 127 A HA -0.100 4.221 4.320 0.001 0.000 0.218 127 A C 2.294 179.922 177.584 0.074 0.000 1.175 127 A CA 1.644 53.709 52.037 0.047 0.000 0.628 127 A CB -0.674 18.348 19.000 0.037 0.000 0.814 127 A HN 0.521 nan 8.150 nan 0.000 0.444 128 A N -0.230 122.636 122.820 0.077 0.000 1.969 128 A HA 0.221 4.542 4.320 0.001 0.000 0.218 128 A C 2.429 180.108 177.584 0.158 0.000 1.169 128 A CA 1.753 53.852 52.037 0.103 0.000 0.635 128 A CB -0.856 18.187 19.000 0.072 0.000 0.810 128 A HN 1.034 nan 8.150 nan 0.000 0.445 129 A N -0.278 122.607 122.820 0.107 0.000 1.978 129 A HA 0.180 4.500 4.320 0.001 0.000 0.220 129 A C 2.176 179.794 177.584 0.056 0.000 1.170 129 A CA 1.836 53.928 52.037 0.092 0.000 0.636 129 A CB -0.627 18.406 19.000 0.055 0.000 0.810 129 A HN 1.102 nan 8.150 nan 0.000 0.448 130 A N -2.377 120.480 122.820 0.062 0.000 2.307 130 A HA 0.320 4.641 4.320 0.001 0.000 0.218 130 A C 0.613 178.254 177.584 0.095 0.000 1.228 130 A CA 0.498 52.548 52.037 0.021 0.000 0.857 130 A CB -0.782 18.234 19.000 0.025 0.000 0.897 130 A HN 0.710 nan 8.150 nan 0.000 0.495 131 H N -1.014 118.072 119.070 0.027 0.000 2.861 131 H HA -0.166 4.389 4.556 -0.001 0.000 0.289 131 H C -0.235 175.113 175.328 0.035 0.000 1.176 131 H CA 0.374 56.439 56.048 0.027 0.000 1.146 131 H CB -1.408 28.367 29.762 0.022 0.000 1.330 131 H HN 0.722 nan 8.280 nan 0.000 0.379 132 Q N 1.244 121.133 119.800 0.147 0.000 2.314 132 Q HA 0.049 4.389 4.340 0.001 0.000 0.258 132 Q C -1.283 174.782 176.000 0.109 0.000 0.954 132 Q CA -1.496 54.372 55.803 0.108 0.000 0.890 132 Q CB 0.975 29.762 28.738 0.081 0.000 1.210 132 Q HN 0.245 nan 8.270 nan 0.000 0.410 133 P HA -0.034 nan 4.420 nan 0.000 0.221 133 P C 0.133 177.539 177.300 0.176 0.000 1.150 133 P CA 0.790 63.989 63.100 0.165 0.000 0.800 133 P CB 0.496 32.324 31.700 0.212 0.000 0.787 134 G N -0.328 108.562 108.800 0.151 0.000 2.349 134 G HA2 0.487 4.448 3.960 0.001 0.000 0.294 134 G HA3 0.487 4.448 3.960 0.001 0.000 0.294 134 G C -1.874 173.011 174.900 -0.025 0.000 1.380 134 G CA -0.658 44.380 45.100 -0.102 0.000 0.811 134 G HN 0.208 nan 8.290 nan 0.000 0.519 135 I N -2.013 118.474 120.570 -0.138 0.000 2.740 135 I HA 0.835 5.006 4.170 0.001 0.000 0.303 135 I C -0.859 175.291 176.117 0.055 0.000 1.044 135 I CA -1.481 59.810 61.300 -0.014 0.000 1.064 135 I CB 2.183 40.165 38.000 -0.029 0.000 1.249 135 I HN 0.394 nan 8.210 nan 0.000 0.433 136 I N 4.356 124.956 120.570 0.050 0.000 2.312 136 I HA 0.479 4.649 4.170 0.001 0.000 0.290 136 I C -0.005 176.123 176.117 0.018 0.000 1.008 136 I CA -0.103 61.228 61.300 0.051 0.000 1.226 136 I CB 1.451 39.354 38.000 -0.162 0.000 1.371 136 I HN 0.670 nan 8.210 nan 0.000 0.468 137 S N 3.282 119.085 115.700 0.171 0.000 2.536 137 S HA 0.274 4.744 4.470 0.001 0.000 0.271 137 S C -0.081 174.697 174.600 0.298 0.000 1.134 137 S CA -0.763 57.547 58.200 0.183 0.000 0.897 137 S CB 1.312 64.557 63.200 0.075 0.000 1.094 137 S HN 0.732 nan 8.310 nan 0.000 0.473 138 D N 2.779 123.351 120.400 0.286 0.000 2.340 138 D HA 0.078 4.719 4.640 0.001 0.000 0.220 138 D C 0.518 176.840 176.300 0.037 0.000 1.039 138 D CA -0.040 54.042 54.000 0.136 0.000 0.866 138 D CB -0.153 40.666 40.800 0.032 0.000 0.913 138 D HN 0.404 nan 8.370 nan 0.000 0.523 139 I N 1.338 121.900 120.570 -0.013 0.000 2.581 139 I HA 0.286 4.457 4.170 0.001 0.000 0.285 139 I C 1.749 177.886 176.117 0.033 0.000 1.129 139 I CA 1.083 62.332 61.300 -0.084 0.000 1.397 139 I CB 0.019 37.791 38.000 -0.380 0.000 1.399 139 I HN 0.434 nan 8.210 nan 0.000 0.537 140 G N 6.610 115.428 108.800 0.030 0.000 2.218 140 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 140 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 140 G C 0.427 175.314 174.900 -0.022 0.000 0.994 140 G CA -0.674 44.445 45.100 0.031 0.000 0.637 140 G HN 0.437 nan 8.290 nan 0.000 0.505 141 I N 1.944 122.497 120.570 -0.029 0.000 2.826 141 I HA 0.290 4.460 4.170 0.001 0.000 0.295 141 I C 1.832 177.911 176.117 -0.063 0.000 1.213 141 I CA 2.476 63.740 61.300 -0.060 0.000 1.436 141 I CB -0.137 37.820 38.000 -0.072 0.000 1.348 141 I HN 1.365 nan 8.210 nan 0.000 0.570 142 G N 4.223 112.982 108.800 -0.068 0.000 2.143 142 G HA2 -0.232 3.729 3.960 0.001 0.000 0.249 142 G HA3 -0.232 3.729 3.960 0.001 0.000 0.249 142 G C 0.299 175.178 174.900 -0.034 0.000 0.981 142 G CA 0.480 45.540 45.100 -0.067 0.000 0.665 142 G HN 0.931 nan 8.290 nan 0.000 0.528 143 T N -2.882 111.665 114.554 -0.013 0.000 2.807 143 T HA 0.642 4.993 4.350 0.001 0.000 0.277 143 T C 1.306 176.026 174.700 0.033 0.000 1.006 143 T CA 0.017 62.154 62.100 0.062 0.000 1.006 143 T CB 1.105 70.038 68.868 0.108 0.000 1.274 143 T HN 1.166 nan 8.240 nan 0.000 0.569 144 F N 0.976 120.912 119.950 -0.023 0.000 2.373 144 F HA 0.003 4.531 4.527 0.001 0.000 0.300 144 F C 1.782 177.551 175.800 -0.052 0.000 1.080 144 F CA 1.070 59.038 58.000 -0.054 0.000 1.417 144 F CB -1.028 37.894 39.000 -0.131 0.000 1.070 144 F HN 0.336 nan 8.300 nan 0.000 0.546 145 V N -2.104 117.290 119.914 -0.867 0.000 2.788 145 V HA -0.060 4.061 4.120 0.001 0.000 0.251 145 V C 0.941 176.852 176.094 -0.305 0.000 1.068 145 V CA 0.766 62.683 62.300 -0.639 0.000 1.090 145 V CB -0.904 30.602 31.823 -0.529 0.000 0.710 145 V HN 0.280 nan 8.190 nan 0.000 0.467 146 D N 2.718 122.986 120.400 -0.219 0.000 2.531 146 D HA 0.044 4.685 4.640 0.001 0.000 0.239 146 D C -1.157 175.077 176.300 -0.110 0.000 1.144 146 D CA -1.180 52.730 54.000 -0.150 0.000 0.869 146 D CB 1.823 42.564 40.800 -0.098 0.000 1.160 146 D HN 0.241 nan 8.370 nan 0.000 0.484 147 P HA -0.144 nan 4.420 nan 0.000 0.218 147 P C 1.009 178.290 177.300 -0.032 0.000 1.148 147 P CA 0.936 64.002 63.100 -0.056 0.000 0.822 147 P CB 0.208 31.877 31.700 -0.052 0.000 0.784 148 R N -0.815 119.660 120.500 -0.040 0.000 2.293 148 R HA -0.055 4.285 4.340 0.001 0.000 0.219 148 R C 2.143 178.432 176.300 -0.018 0.000 1.091 148 R CA 1.001 57.083 56.100 -0.030 0.000 1.004 148 R CB -0.173 30.104 30.300 -0.039 0.000 0.865 148 R HN 0.434 nan 8.270 nan 0.000 0.469 149 Q N -1.029 118.765 119.800 -0.011 0.000 2.729 149 Q HA 0.085 4.425 4.340 0.001 0.000 0.228 149 Q C 0.952 176.974 176.000 0.037 0.000 1.021 149 Q CA -0.072 55.742 55.803 0.019 0.000 0.561 149 Q CB 0.351 29.113 28.738 0.039 0.000 3.921 149 Q HN -0.040 nan 8.270 nan 0.000 0.430 150 Q N -0.511 119.330 119.800 0.068 0.000 2.247 150 Q HA 0.247 4.588 4.340 0.001 0.000 0.211 150 Q C 0.232 176.267 176.000 0.059 0.000 0.861 150 Q CA 0.550 56.407 55.803 0.089 0.000 0.949 150 Q CB 1.267 30.117 28.738 0.187 0.000 1.115 150 Q HN 0.732 nan 8.270 nan 0.000 0.507 151 G N 0.429 109.229 108.800 0.000 0.000 2.233 151 G HA2 -0.236 3.725 3.960 0.001 0.000 0.270 151 G HA3 -0.236 3.725 3.960 0.001 0.000 0.270 151 G C 0.863 175.796 174.900 0.055 0.000 1.011 151 G CA 0.516 45.614 45.100 -0.004 0.000 0.762 151 G HN 0.908 nan 8.290 nan 0.000 0.511 152 G N -1.735 107.054 108.800 -0.018 0.000 2.159 152 G HA2 -0.258 3.703 3.960 0.001 0.000 0.256 152 G HA3 -0.258 3.703 3.960 0.001 0.000 0.256 152 G C 0.286 175.321 174.900 0.225 0.000 0.977 152 G CA 0.994 46.121 45.100 0.046 0.000 0.652 152 G HN 1.063 nan 8.290 nan 0.000 0.531 153 K N -0.077 120.394 120.400 0.118 0.000 2.234 153 K HA 0.633 4.954 4.320 0.001 0.000 0.282 153 K C 1.187 177.731 176.600 -0.093 0.000 1.039 153 K CA -0.579 55.636 56.287 -0.119 0.000 0.928 153 K CB 1.286 33.703 32.500 -0.138 0.000 1.039 153 K HN 0.139 nan 8.250 nan 0.000 0.470 154 L N 1.946 123.016 121.223 -0.255 0.000 2.585 154 L HA 0.061 4.402 4.340 0.001 0.000 0.226 154 L C 0.242 176.956 176.870 -0.259 0.000 1.113 154 L CA -0.045 54.625 54.840 -0.284 0.000 0.876 154 L CB -0.329 41.405 42.059 -0.543 0.000 1.072 154 L HN 0.760 nan 8.230 nan 0.000 0.468 155 N N -3.080 115.479 118.700 -0.234 0.000 3.243 155 N HA 0.020 4.761 4.740 0.001 0.000 0.280 155 N C 0.352 175.781 175.510 -0.136 0.000 1.545 155 N CA -0.683 52.260 53.050 -0.179 0.000 0.854 155 N CB 0.500 38.874 38.487 -0.189 0.000 1.612 155 N HN -0.238 nan 8.380 nan 0.000 0.577 156 E N -0.317 119.822 120.200 -0.102 0.000 2.107 156 E HA -0.074 4.277 4.350 0.001 0.000 0.191 156 E C 1.182 177.743 176.600 -0.066 0.000 0.982 156 E CA 0.932 57.289 56.400 -0.071 0.000 0.809 156 E CB 0.041 29.709 29.700 -0.053 0.000 0.756 156 E HN 0.376 nan 8.360 nan 0.000 0.459 157 V N 1.284 121.155 119.914 -0.073 0.000 2.970 157 V HA -0.074 4.046 4.120 0.001 0.000 0.260 157 V C 0.512 176.569 176.094 -0.062 0.000 1.100 157 V CA 1.335 63.605 62.300 -0.051 0.000 1.122 157 V CB -0.283 31.518 31.823 -0.037 0.000 0.721 157 V HN 0.108 nan 8.190 nan 0.000 0.483 158 T N 2.112 116.588 114.554 -0.131 0.000 2.727 158 T HA 0.223 4.573 4.350 0.001 0.000 0.295 158 T C 0.740 175.379 174.700 -0.102 0.000 0.915 158 T CA -0.273 61.707 62.100 -0.201 0.000 1.066 158 T CB 0.804 69.397 68.868 -0.458 0.000 0.891 158 T HN 0.321 nan 8.240 nan 0.000 0.516 159 K N 1.748 122.153 120.400 0.008 0.000 2.380 159 K HA 0.160 4.480 4.320 0.001 0.000 0.200 159 K C 0.840 177.520 176.600 0.134 0.000 1.201 159 K CA 0.003 56.325 56.287 0.059 0.000 0.916 159 K CB 0.235 32.768 32.500 0.055 0.000 1.187 159 K HN 0.552 nan 8.250 nan 0.000 0.498 160 E N 3.109 123.438 120.200 0.214 0.000 2.465 160 E HA -0.054 4.297 4.350 0.001 0.000 0.260 160 E C -0.844 175.931 176.600 0.291 0.000 0.980 160 E CA 0.106 56.653 56.400 0.244 0.000 0.927 160 E CB 0.457 30.322 29.700 0.276 0.000 0.934 160 E HN 0.015 nan 8.360 nan 0.000 0.459 161 D N 5.448 125.963 120.400 0.192 0.000 2.339 161 D HA 0.049 4.690 4.640 0.001 0.000 0.256 161 D C 0.842 177.230 176.300 0.147 0.000 1.214 161 D CA 0.158 54.258 54.000 0.168 0.000 0.877 161 D CB 1.064 41.928 40.800 0.107 0.000 1.111 161 D HN 0.471 nan 8.370 nan 0.000 0.478 162 L N 1.888 123.193 121.223 0.136 0.000 2.515 162 L HA 0.250 4.591 4.340 0.001 0.000 0.223 162 L C 0.791 177.701 176.870 0.067 0.000 1.079 162 L CA 0.378 55.272 54.840 0.091 0.000 0.857 162 L CB 0.259 42.316 42.059 -0.002 0.000 1.050 162 L HN 0.216 nan 8.230 nan 0.000 0.476 163 I N 0.604 121.180 120.570 0.010 0.000 2.404 163 I HA 0.266 4.436 4.170 0.001 0.000 0.293 163 I C -0.258 175.814 176.117 -0.074 0.000 0.992 163 I CA -0.422 60.773 61.300 -0.177 0.000 1.149 163 I CB 1.934 39.712 38.000 -0.371 0.000 1.315 163 I HN -0.054 nan 8.210 nan 0.000 0.446 164 K N 6.241 126.623 120.400 -0.030 0.000 2.422 164 K HA 0.543 4.863 4.320 0.001 0.000 0.251 164 K C -1.663 174.946 176.600 0.015 0.000 0.933 164 K CA -0.810 55.497 56.287 0.034 0.000 0.798 164 K CB 2.340 34.913 32.500 0.121 0.000 1.238 164 K HN 0.453 nan 8.250 nan 0.000 0.428 165 L N 4.875 126.093 121.223 -0.009 0.000 2.331 165 L HA 0.404 4.745 4.340 0.001 0.000 0.278 165 L C -0.783 176.095 176.870 0.013 0.000 1.106 165 L CA 0.125 54.962 54.840 -0.006 0.000 0.824 165 L CB 1.262 43.302 42.059 -0.032 0.000 1.142 165 L HN 0.554 nan 8.230 nan 0.000 0.443 166 V N 1.420 121.369 119.914 0.058 0.000 3.167 166 V HA 0.730 4.851 4.120 0.001 0.000 0.310 166 V C -0.976 175.130 176.094 0.020 0.000 1.207 166 V CA -0.858 61.454 62.300 0.020 0.000 1.059 166 V CB 1.837 33.725 31.823 0.108 0.000 1.079 166 V HN 0.841 nan 8.190 nan 0.000 0.446 167 E N 0.002 120.086 120.200 -0.193 0.000 2.290 167 E HA 0.691 5.042 4.350 0.001 0.000 0.274 167 E C -2.354 173.987 176.600 -0.432 0.000 0.889 167 E CA -0.505 55.818 56.400 -0.130 0.000 0.760 167 E CB 2.259 31.885 29.700 -0.124 0.000 1.206 167 E HN 0.645 nan 8.360 nan 0.000 0.419 168 F N 2.075 122.178 119.950 0.255 0.000 2.581 168 F HA 0.245 4.772 4.527 0.000 0.000 0.311 168 F C -0.224 175.706 175.800 0.216 0.000 1.113 168 F CA -0.824 57.285 58.000 0.182 0.000 0.935 168 F CB 1.827 40.874 39.000 0.079 0.000 1.232 168 F HN 0.451 nan 8.300 nan 0.000 0.445 169 D N 2.019 122.583 120.400 0.274 0.000 2.751 169 D HA -0.267 4.374 4.640 0.001 0.000 0.233 169 D C -0.210 176.164 176.300 0.124 0.000 1.149 169 D CA 0.974 55.083 54.000 0.180 0.000 0.682 169 D CB -1.166 39.752 40.800 0.197 0.000 1.068 169 D HN 0.815 nan 8.370 nan 0.000 0.429 170 N N -0.816 117.932 118.700 0.079 0.000 2.725 170 N HA -0.221 4.520 4.740 0.001 0.000 0.249 170 N C -0.740 174.774 175.510 0.006 0.000 1.103 170 N CA 1.559 54.625 53.050 0.027 0.000 0.707 170 N CB -0.370 38.126 38.487 0.015 0.000 1.043 170 N HN 0.606 nan 8.380 nan 0.000 0.553 171 K N -0.023 120.387 120.400 0.018 0.000 2.435 171 K HA 0.395 4.716 4.320 0.001 0.000 0.251 171 K C -0.472 175.978 176.600 -0.251 0.000 0.954 171 K CA -0.810 55.398 56.287 -0.132 0.000 0.820 171 K CB 2.125 34.512 32.500 -0.189 0.000 1.292 171 K HN 0.051 nan 8.250 nan 0.000 0.436 172 E N 1.258 121.248 120.200 -0.348 0.000 2.313 172 E HA 0.240 4.590 4.350 0.001 0.000 0.276 172 E C -1.112 175.183 176.600 -0.510 0.000 1.031 172 E CA -0.100 56.133 56.400 -0.279 0.000 0.857 172 E CB 0.623 30.214 29.700 -0.181 0.000 1.040 172 E HN 0.314 nan 8.360 nan 0.000 0.408 173 Y N 0.633 120.971 120.300 0.063 0.000 2.581 173 Y HA 0.375 4.926 4.550 0.002 0.000 0.345 173 Y C -0.274 175.654 175.900 0.047 0.000 1.036 173 Y CA -0.923 57.228 58.100 0.084 0.000 1.042 173 Y CB 1.228 39.796 38.460 0.180 0.000 1.289 173 Y HN 0.277 nan 8.280 nan 0.000 0.471 174 L N 1.888 123.226 121.223 0.192 0.000 2.322 174 L HA 0.358 4.699 4.340 0.001 0.000 0.279 174 L C -1.248 175.658 176.870 0.060 0.000 1.036 174 L CA -0.963 53.867 54.840 -0.016 0.000 0.807 174 L CB 1.287 43.178 42.059 -0.281 0.000 1.226 174 L HN 0.630 nan 8.230 nan 0.000 0.433 175 Y N 2.873 123.095 120.300 -0.129 0.000 2.342 175 Y HA 0.378 4.928 4.550 0.000 0.000 0.338 175 Y C -1.228 174.570 175.900 -0.169 0.000 0.965 175 Y CA -0.668 57.406 58.100 -0.043 0.000 1.159 175 Y CB 0.639 39.115 38.460 0.027 0.000 1.157 175 Y HN 0.295 nan 8.280 nan 0.000 0.486 176 Y N 5.680 125.588 120.300 -0.654 0.000 2.331 176 Y HA 0.289 4.839 4.550 0.001 0.000 0.338 176 Y C 0.297 175.776 175.900 -0.701 0.000 0.976 176 Y CA -0.889 56.817 58.100 -0.657 0.000 1.137 176 Y CB 1.094 39.122 38.460 -0.720 0.000 1.172 176 Y HN 0.483 nan 8.280 nan 0.000 0.478 177 K N 2.767 123.008 120.400 -0.265 0.000 2.447 177 K HA 0.370 4.690 4.320 0.001 0.000 0.281 177 K C -0.297 176.346 176.600 0.072 0.000 1.031 177 K CA -0.178 56.045 56.287 -0.106 0.000 1.019 177 K CB 0.353 32.901 32.500 0.080 0.000 0.918 177 K HN 0.810 nan 8.250 nan 0.000 0.476 178 A N 6.124 128.959 122.820 0.025 0.000 2.302 178 A HA 0.336 4.656 4.320 0.001 0.000 0.295 178 A C -0.299 177.321 177.584 0.059 0.000 1.235 178 A CA -0.530 51.549 52.037 0.069 0.000 0.876 178 A CB -0.071 18.959 19.000 0.050 0.000 1.133 178 A HN 0.758 nan 8.150 nan 0.000 0.533 179 I N 2.547 123.152 120.570 0.058 0.000 2.339 179 I HA 0.453 4.623 4.170 0.001 0.000 0.290 179 I C 0.651 176.770 176.117 0.003 0.000 0.994 179 I CA -0.164 61.143 61.300 0.011 0.000 1.191 179 I CB 1.870 39.872 38.000 0.003 0.000 1.343 179 I HN 0.679 nan 8.210 nan 0.000 0.458 180 A N 8.411 131.220 122.820 -0.017 0.000 2.301 180 A HA 0.754 5.074 4.320 0.001 0.000 0.298 180 A C -2.473 175.091 177.584 -0.033 0.000 1.185 180 A CA -1.325 50.708 52.037 -0.007 0.000 0.830 180 A CB -0.009 18.989 19.000 -0.003 0.000 1.112 180 A HN 0.392 nan 8.150 nan 0.000 0.508 181 P HA 0.365 nan 4.420 nan 0.000 0.279 181 P C -0.339 176.941 177.300 -0.033 0.000 1.276 181 P CA -0.300 62.776 63.100 -0.039 0.000 0.801 181 P CB 0.915 32.599 31.700 -0.028 0.000 1.127 182 D N -0.927 119.446 120.400 -0.045 0.000 2.422 182 D HA 0.167 4.808 4.640 0.001 0.000 0.218 182 D C 0.346 176.639 176.300 -0.013 0.000 1.047 182 D CA 1.013 54.995 54.000 -0.030 0.000 0.885 182 D CB 0.465 41.241 40.800 -0.040 0.000 1.035 182 D HN 0.172 nan 8.370 nan 0.000 0.502 183 I N 0.677 121.227 120.570 -0.033 0.000 2.730 183 I HA 0.576 4.747 4.170 0.001 0.000 0.298 183 I C -0.570 175.515 176.117 -0.054 0.000 1.089 183 I CA -1.208 60.077 61.300 -0.026 0.000 1.041 183 I CB 1.799 39.764 38.000 -0.058 0.000 1.235 183 I HN -0.265 nan 8.210 nan 0.000 0.423 184 A N 5.168 128.000 122.820 0.020 0.000 2.371 184 A HA 0.812 5.133 4.320 0.001 0.000 0.311 184 A C -1.455 176.270 177.584 0.235 0.000 1.068 184 A CA -0.383 51.682 52.037 0.047 0.000 0.744 184 A CB 1.085 20.131 19.000 0.076 0.000 1.239 184 A HN 0.381 nan 8.150 nan 0.000 0.435 185 F N 3.291 123.261 119.950 0.032 0.000 2.313 185 F HA 0.459 4.987 4.527 0.001 0.000 0.369 185 F C 0.528 176.348 175.800 0.035 0.000 1.109 185 F CA -1.334 56.685 58.000 0.031 0.000 1.132 185 F CB 0.365 39.385 39.000 0.033 0.000 1.291 185 F HN 0.578 nan 8.300 nan 0.000 0.496 186 I N 0.692 121.386 120.570 0.206 0.000 3.449 186 I HA 0.840 5.010 4.170 0.001 0.000 0.294 186 I C -0.636 175.527 176.117 0.076 0.000 1.163 186 I CA -1.274 60.109 61.300 0.139 0.000 1.010 186 I CB 2.544 40.621 38.000 0.128 0.000 1.307 186 I HN 0.456 nan 8.210 nan 0.000 0.518 187 R N 1.128 121.660 120.500 0.053 0.000 2.634 187 R HA 0.796 5.136 4.340 0.001 0.000 0.263 187 R C -2.125 174.043 176.300 -0.220 0.000 1.060 187 R CA -0.309 55.761 56.100 -0.050 0.000 0.898 187 R CB 2.094 32.383 30.300 -0.019 0.000 1.253 187 R HN 1.103 nan 8.270 nan 0.000 0.461 188 A N 1.063 123.632 122.820 -0.418 0.000 2.552 188 A HA 0.518 4.838 4.320 0.001 0.000 0.288 188 A C 0.137 177.419 177.584 -0.505 0.000 1.193 188 A CA -0.456 51.016 52.037 -0.941 0.000 0.713 188 A CB 1.437 19.867 19.000 -0.949 0.000 1.305 188 A HN 0.700 nan 8.150 nan 0.000 0.424 189 T N 0.460 114.741 114.554 -0.454 0.000 2.770 189 T HA 0.164 4.515 4.350 0.001 0.000 0.258 189 T C 0.461 175.075 174.700 -0.142 0.000 1.039 189 T CA 2.044 64.026 62.100 -0.196 0.000 1.143 189 T CB -0.146 68.662 68.868 -0.101 0.000 0.866 189 T HN 0.740 nan 8.240 nan 0.000 0.428 190 T N 1.161 115.633 114.554 -0.136 0.000 2.933 190 T HA 0.572 4.923 4.350 0.001 0.000 0.305 190 T C -0.695 173.968 174.700 -0.062 0.000 1.092 190 T CA -0.943 61.114 62.100 -0.071 0.000 1.008 190 T CB 1.656 70.505 68.868 -0.031 0.000 1.102 190 T HN 0.573 nan 8.240 nan 0.000 0.469 191 C N 1.629 120.907 119.300 -0.037 0.000 2.994 191 C HA 0.957 5.418 4.460 0.001 0.000 0.304 191 C C -0.234 174.769 174.990 0.021 0.000 1.273 191 C CA -1.070 57.946 59.018 -0.003 0.000 1.537 191 C CB 1.276 29.003 27.740 -0.021 0.000 2.001 191 C HN 0.944 nan 8.230 nan 0.000 0.471 192 D N 0.812 121.248 120.400 0.060 0.000 2.478 192 D HA 0.282 4.923 4.640 0.001 0.000 0.269 192 D C 1.250 177.584 176.300 0.057 0.000 1.232 192 D CA 0.177 54.209 54.000 0.054 0.000 1.059 192 D CB 0.616 41.446 40.800 0.050 0.000 1.104 192 D HN 0.842 nan 8.370 nan 0.000 0.566 193 S N -1.385 114.342 115.700 0.045 0.000 2.507 193 S HA -0.132 4.339 4.470 0.001 0.000 0.235 193 S C 0.897 175.533 174.600 0.060 0.000 0.988 193 S CA 0.605 58.828 58.200 0.039 0.000 0.944 193 S CB -0.579 62.636 63.200 0.026 0.000 0.762 193 S HN 0.602 nan 8.310 nan 0.000 0.526 194 E N 0.371 120.638 120.200 0.112 0.000 2.476 194 E HA 0.347 4.698 4.350 0.001 0.000 0.196 194 E C 1.150 177.817 176.600 0.110 0.000 1.029 194 E CA 0.163 56.654 56.400 0.151 0.000 0.896 194 E CB 0.338 30.193 29.700 0.259 0.000 1.012 194 E HN 0.651 nan 8.360 nan 0.000 0.475 195 G N 1.063 109.905 108.800 0.069 0.000 2.213 195 G HA2 -0.290 3.671 3.960 0.001 0.000 0.236 195 G HA3 -0.290 3.671 3.960 0.001 0.000 0.236 195 G C -0.092 174.754 174.900 -0.090 0.000 0.991 195 G CA -0.431 44.641 45.100 -0.046 0.000 0.629 195 G HN 0.289 nan 8.290 nan 0.000 0.517 196 Y N 1.670 121.932 120.300 -0.064 0.000 2.632 196 Y HA 0.402 4.953 4.550 0.001 0.000 0.329 196 Y C 0.908 176.786 175.900 -0.037 0.000 1.174 196 Y CA 0.657 58.718 58.100 -0.066 0.000 1.469 196 Y CB 0.873 39.302 38.460 -0.053 0.000 1.242 196 Y HN 0.523 nan 8.280 nan 0.000 0.540 197 A N 2.918 125.787 122.820 0.081 0.000 2.343 197 A HA 0.692 5.012 4.320 0.001 0.000 0.316 197 A C -0.194 177.477 177.584 0.145 0.000 1.104 197 A CA -0.646 51.424 52.037 0.055 0.000 0.768 197 A CB 0.679 19.682 19.000 0.004 0.000 1.213 197 A HN 0.674 nan 8.150 nan 0.000 0.456 198 T N -1.577 113.031 114.554 0.091 0.000 2.940 198 T HA 0.702 5.053 4.350 0.001 0.000 0.288 198 T C -0.436 174.335 174.700 0.119 0.000 1.033 198 T CA -0.375 61.838 62.100 0.188 0.000 1.033 198 T CB 0.882 69.821 68.868 0.119 0.000 1.079 198 T HN 0.352 nan 8.240 nan 0.000 0.496 199 F N 0.820 120.813 119.950 0.071 0.000 2.850 199 F HA 0.223 4.750 4.527 0.001 0.000 0.329 199 F C 2.105 177.972 175.800 0.111 0.000 1.182 199 F CA -0.822 57.252 58.000 0.123 0.000 1.270 199 F CB 0.639 39.799 39.000 0.267 0.000 0.979 199 F HN 0.752 nan 8.300 nan 0.000 0.506 200 E N -0.036 120.272 120.200 0.179 0.000 2.118 200 E HA -0.211 4.139 4.350 0.001 0.000 0.195 200 E C 0.384 177.024 176.600 0.067 0.000 0.992 200 E CA 1.773 58.237 56.400 0.106 0.000 0.804 200 E CB -0.116 29.617 29.700 0.054 0.000 0.741 200 E HN 0.344 nan 8.360 nan 0.000 0.458 201 D N 0.762 121.192 120.400 0.050 0.000 2.369 201 D HA 0.068 4.709 4.640 0.001 0.000 0.211 201 D C -0.085 176.237 176.300 0.037 0.000 1.077 201 D CA 0.006 54.025 54.000 0.032 0.000 0.842 201 D CB 0.268 41.077 40.800 0.015 0.000 0.947 201 D HN 0.106 nan 8.370 nan 0.000 0.509 202 E N 0.706 120.948 120.200 0.070 0.000 2.404 202 E HA 0.030 4.381 4.350 0.001 0.000 0.261 202 E C 1.657 178.280 176.600 0.037 0.000 1.074 202 E CA -0.206 56.244 56.400 0.082 0.000 0.917 202 E CB 1.567 31.394 29.700 0.212 0.000 0.965 202 E HN -0.173 nan 8.360 nan 0.000 0.433 203 V N 1.684 121.605 119.914 0.012 0.000 2.407 203 V HA -0.194 3.927 4.120 0.001 0.000 0.248 203 V C 1.220 177.255 176.094 -0.098 0.000 1.055 203 V CA 2.205 64.487 62.300 -0.030 0.000 1.049 203 V CB -0.758 31.049 31.823 -0.026 0.000 0.662 203 V HN 0.693 nan 8.190 nan 0.000 0.455 204 M N -3.867 115.673 119.600 -0.100 0.000 3.855 204 M HA 0.381 4.862 4.480 0.001 0.000 0.367 204 M C -0.170 176.036 176.300 -0.158 0.000 1.680 204 M CA -0.542 54.589 55.300 -0.283 0.000 0.869 204 M CB 1.210 33.696 32.600 -0.190 0.000 2.350 204 M HN -0.188 nan 8.290 nan 0.000 0.481 205 Y N -0.186 120.084 120.300 -0.050 0.000 2.535 205 Y HA 0.541 5.092 4.550 0.001 0.000 0.264 205 Y C 1.274 177.113 175.900 -0.102 0.000 1.087 205 Y CA -0.325 57.655 58.100 -0.201 0.000 1.285 205 Y CB -0.226 38.027 38.460 -0.346 0.000 1.200 205 Y HN 0.647 nan 8.280 nan 0.000 0.514 206 L N 0.029 121.311 121.223 0.098 0.000 6.519 206 L HA -0.383 3.957 4.340 0.001 0.000 0.053 206 L C 0.238 177.147 176.870 0.065 0.000 1.992 206 L CA 1.770 56.658 54.840 0.082 0.000 1.661 206 L CB -0.821 41.294 42.059 0.094 0.000 2.744 206 L HN 0.335 nan 8.230 nan 0.000 1.041 207 D N -0.365 120.073 120.400 0.064 0.000 2.772 207 D HA 0.443 5.084 4.640 0.001 0.000 0.272 207 D C 0.854 177.173 176.300 0.032 0.000 1.314 207 D CA 0.337 54.359 54.000 0.037 0.000 0.835 207 D CB 0.594 41.422 40.800 0.047 0.000 1.080 207 D HN 0.621 nan 8.370 nan 0.000 0.482 208 A N 0.539 123.382 122.820 0.038 0.000 1.892 208 A HA -0.177 4.143 4.320 0.001 0.000 0.218 208 A C 1.956 179.560 177.584 0.035 0.000 1.188 208 A CA 1.427 53.514 52.037 0.084 0.000 0.631 208 A CB -0.607 18.516 19.000 0.205 0.000 0.822 208 A HN 0.375 nan 8.150 nan 0.000 0.447 209 L N -0.201 120.997 121.223 -0.041 0.000 2.017 209 L HA -0.101 4.240 4.340 0.001 0.000 0.208 209 L C 2.393 179.247 176.870 -0.026 0.000 1.073 209 L CA 1.982 56.787 54.840 -0.057 0.000 0.745 209 L CB -0.576 41.413 42.059 -0.117 0.000 0.894 209 L HN 0.145 nan 8.230 nan 0.000 0.432 210 V N 0.123 120.026 119.914 -0.017 0.000 2.287 210 V HA -0.353 3.768 4.120 0.001 0.000 0.248 210 V C 2.533 178.641 176.094 0.024 0.000 1.053 210 V CA 2.388 64.691 62.300 0.005 0.000 1.027 210 V CB -0.512 31.317 31.823 0.009 0.000 0.646 210 V HN 0.461 nan 8.190 nan 0.000 0.447 211 I N 0.222 120.810 120.570 0.031 0.000 2.127 211 I HA -0.280 3.890 4.170 0.001 0.000 0.241 211 I C 2.690 178.835 176.117 0.048 0.000 1.075 211 I CA 1.652 62.977 61.300 0.043 0.000 1.334 211 I CB -0.689 37.343 38.000 0.052 0.000 1.040 211 I HN 0.313 nan 8.210 nan 0.000 0.405 212 A N 0.165 123.009 122.820 0.041 0.000 1.908 212 A HA -0.274 4.047 4.320 0.001 0.000 0.218 212 A C 2.261 179.880 177.584 0.060 0.000 1.181 212 A CA 1.741 53.801 52.037 0.038 0.000 0.627 212 A CB -0.663 18.334 19.000 -0.005 0.000 0.818 212 A HN 0.501 nan 8.150 nan 0.000 0.445 213 Q N -0.817 119.008 119.800 0.041 0.000 2.079 213 Q HA -0.064 4.276 4.340 0.001 0.000 0.200 213 Q C 2.487 178.553 176.000 0.110 0.000 0.974 213 Q CA 1.210 57.057 55.803 0.073 0.000 0.840 213 Q CB -0.395 28.365 28.738 0.036 0.000 0.898 213 Q HN 0.684 nan 8.270 nan 0.000 0.430 214 A N 0.442 123.311 122.820 0.082 0.000 1.883 214 A HA -0.180 4.140 4.320 0.001 0.000 0.217 214 A C 2.321 179.960 177.584 0.092 0.000 1.186 214 A CA 1.715 53.803 52.037 0.085 0.000 0.624 214 A CB -0.800 18.236 19.000 0.060 0.000 0.822 214 A HN 0.223 nan 8.150 nan 0.000 0.444 215 V N -0.857 119.108 119.914 0.086 0.000 2.379 215 V HA -0.218 3.903 4.120 0.001 0.000 0.245 215 V C 2.423 178.574 176.094 0.096 0.000 1.044 215 V CA 2.347 64.691 62.300 0.073 0.000 1.036 215 V CB -1.027 30.833 31.823 0.061 0.000 0.664 215 V HN 0.839 nan 8.190 nan 0.000 0.453 216 H N 1.325 120.417 119.070 0.037 0.000 2.289 216 H HA -0.169 4.388 4.556 0.002 0.000 0.296 216 H C 1.963 177.324 175.328 0.055 0.000 1.091 216 H CA 2.249 58.322 56.048 0.042 0.000 1.274 216 H CB -0.062 29.727 29.762 0.045 0.000 1.364 216 H HN 0.328 nan 8.280 nan 0.000 0.490 217 N N 0.151 118.916 118.700 0.109 0.000 2.521 217 N HA -0.090 4.651 4.740 0.001 0.000 0.188 217 N C 0.619 176.242 175.510 0.188 0.000 1.146 217 N CA 0.486 53.586 53.050 0.085 0.000 0.893 217 N CB -0.142 38.388 38.487 0.073 0.000 0.975 217 N HN 0.428 nan 8.380 nan 0.000 0.451 218 N N -0.136 118.618 118.700 0.091 0.000 2.214 218 N HA 0.117 4.858 4.740 0.001 0.000 0.214 218 N C 0.675 176.180 175.510 -0.008 0.000 1.132 218 N CA 0.309 53.389 53.050 0.048 0.000 0.856 218 N CB 0.119 38.619 38.487 0.022 0.000 1.020 218 N HN 0.148 nan 8.380 nan 0.000 0.509 219 G N -1.018 107.754 108.800 -0.047 0.000 2.153 219 G HA2 -0.217 3.744 3.960 0.001 0.000 0.252 219 G HA3 -0.217 3.744 3.960 0.001 0.000 0.252 219 G C 0.496 175.369 174.900 -0.044 0.000 0.994 219 G CA 0.272 45.333 45.100 -0.066 0.000 0.698 219 G HN 0.625 nan 8.290 nan 0.000 0.521 220 G N -0.991 107.792 108.800 -0.028 0.000 2.543 220 G HA2 0.669 4.630 3.960 0.001 0.000 0.290 220 G HA3 0.669 4.630 3.960 0.001 0.000 0.290 220 G C -0.072 174.839 174.900 0.017 0.000 1.310 220 G CA -0.896 44.204 45.100 0.001 0.000 1.025 220 G HN 0.675 nan 8.290 nan 0.000 0.502 221 I N 0.080 120.671 120.570 0.034 0.000 2.362 221 I HA 0.280 4.450 4.170 0.001 0.000 0.289 221 I C -0.599 175.555 176.117 0.063 0.000 0.994 221 I CA -0.722 60.602 61.300 0.040 0.000 1.158 221 I CB 2.104 40.126 38.000 0.037 0.000 1.315 221 I HN -0.047 nan 8.210 nan 0.000 0.451 222 V N 7.349 127.302 119.914 0.065 0.000 2.350 222 V HA 0.408 4.529 4.120 0.001 0.000 0.276 222 V C 0.190 176.322 176.094 0.063 0.000 1.028 222 V CA -0.350 61.996 62.300 0.076 0.000 0.860 222 V CB 1.265 33.129 31.823 0.068 0.000 0.990 222 V HN 0.647 nan 8.190 nan 0.000 0.453 223 M N 6.343 126.009 119.600 0.111 0.000 2.268 223 M HA 0.605 5.086 4.480 0.001 0.000 0.344 223 M C -0.606 175.731 176.300 0.063 0.000 1.106 223 M CA -0.214 55.135 55.300 0.082 0.000 1.010 223 M CB 1.877 34.556 32.600 0.131 0.000 1.649 223 M HN 0.582 nan 8.290 nan 0.000 0.443 224 M N 3.487 123.089 119.600 0.003 0.000 2.142 224 M HA 0.315 4.796 4.480 0.001 0.000 0.299 224 M C -1.111 175.158 176.300 -0.050 0.000 0.960 224 M CA -0.423 54.868 55.300 -0.015 0.000 0.920 224 M CB 1.994 34.578 32.600 -0.026 0.000 1.541 224 M HN 0.747 nan 8.290 nan 0.000 0.429 225 Q N 4.068 123.831 119.800 -0.061 0.000 2.288 225 Q HA 0.577 4.918 4.340 0.001 0.000 0.254 225 Q C -1.230 174.718 176.000 -0.087 0.000 0.932 225 Q CA -0.471 55.288 55.803 -0.074 0.000 0.902 225 Q CB 1.094 29.787 28.738 -0.075 0.000 1.203 225 Q HN 0.680 nan 8.270 nan 0.000 0.415 226 V N 0.618 120.483 119.914 -0.082 0.000 3.130 226 V HA 0.302 4.422 4.120 0.001 0.000 0.310 226 V C 0.323 176.376 176.094 -0.068 0.000 1.158 226 V CA -0.814 61.428 62.300 -0.095 0.000 1.029 226 V CB 1.842 33.608 31.823 -0.096 0.000 1.057 226 V HN 0.911 nan 8.190 nan 0.000 0.436 227 Q N 1.195 120.955 119.800 -0.067 0.000 2.163 227 Q HA 0.124 4.465 4.340 0.001 0.000 0.198 227 Q C 0.354 176.333 176.000 -0.034 0.000 0.954 227 Q CA 1.577 57.354 55.803 -0.044 0.000 0.851 227 Q CB 0.321 29.036 28.738 -0.039 0.000 0.928 227 Q HN 0.919 nan 8.270 nan 0.000 0.459 228 K N -1.308 119.069 120.400 -0.037 0.000 2.555 228 K HA 0.489 4.810 4.320 0.001 0.000 0.279 228 K C -1.226 175.359 176.600 -0.026 0.000 0.986 228 K CA -0.730 55.542 56.287 -0.026 0.000 0.880 228 K CB 1.261 33.750 32.500 -0.018 0.000 1.474 228 K HN -0.095 nan 8.250 nan 0.000 0.433 229 M N 1.704 121.294 119.600 -0.016 0.000 2.602 229 M HA 0.482 4.962 4.480 0.001 0.000 0.312 229 M C -0.646 175.652 176.300 -0.004 0.000 1.181 229 M CA -1.118 54.176 55.300 -0.010 0.000 0.910 229 M CB 2.384 34.979 32.600 -0.008 0.000 1.723 229 M HN 0.645 nan 8.290 nan 0.000 0.459 230 V N -1.176 118.739 119.914 0.001 0.000 3.141 230 V HA 0.613 4.734 4.120 0.001 0.000 0.312 230 V C -0.629 175.466 176.094 0.002 0.000 1.157 230 V CA -1.191 61.110 62.300 0.001 0.000 1.041 230 V CB 1.835 33.659 31.823 0.002 0.000 1.071 230 V HN 0.893 nan 8.190 nan 0.000 0.441 231 K N 1.751 122.150 120.400 -0.002 0.000 2.448 231 K HA 0.118 4.439 4.320 0.001 0.000 0.278 231 K C 0.362 176.955 176.600 -0.011 0.000 1.009 231 K CA -0.133 56.150 56.287 -0.006 0.000 0.995 231 K CB 0.441 32.935 32.500 -0.010 0.000 0.917 231 K HN 0.924 nan 8.250 nan 0.000 0.481 232 K N 3.140 123.533 120.400 -0.011 0.000 2.550 232 K HA -0.112 4.208 4.320 0.001 0.000 0.280 232 K C -0.034 176.531 176.600 -0.059 0.000 0.987 232 K CA 1.015 57.286 56.287 -0.026 0.000 1.048 232 K CB 0.043 32.532 32.500 -0.018 0.000 0.879 232 K HN 0.790 nan 8.250 nan 0.000 0.491 233 A N 2.367 125.124 122.820 -0.106 0.000 2.872 233 A HA -0.170 4.151 4.320 0.001 0.000 0.273 233 A C 0.819 178.346 177.584 -0.095 0.000 1.442 233 A CA 1.680 53.634 52.037 -0.140 0.000 0.801 233 A CB -2.699 16.218 19.000 -0.139 0.000 1.031 233 A HN 1.071 nan 8.150 nan 0.000 0.582 234 T N -2.807 111.708 114.554 -0.064 0.000 3.010 234 T HA 0.568 4.918 4.350 0.001 0.000 0.257 234 T C 0.549 175.232 174.700 -0.028 0.000 1.020 234 T CA 0.348 62.421 62.100 -0.044 0.000 0.938 234 T CB -0.079 68.773 68.868 -0.026 0.000 1.049 234 T HN 0.549 nan 8.240 nan 0.000 0.522 235 L N 2.148 123.357 121.223 -0.022 0.000 2.418 235 L HA 0.364 4.704 4.340 0.001 0.000 0.265 235 L C 0.795 177.677 176.870 0.020 0.000 1.143 235 L CA -1.099 53.753 54.840 0.020 0.000 0.809 235 L CB 0.416 42.500 42.059 0.042 0.000 1.124 235 L HN 0.299 nan 8.230 nan 0.000 0.456 236 H N 4.764 123.826 119.070 -0.012 0.000 2.929 236 H HA 0.057 4.613 4.556 0.001 0.000 0.317 236 H C -1.703 173.618 175.328 -0.013 0.000 1.031 236 H CA -1.596 54.442 56.048 -0.016 0.000 1.466 236 H CB 1.459 31.214 29.762 -0.011 0.000 1.482 236 H HN 0.349 nan 8.280 nan 0.000 0.561 237 P HA -0.125 nan 4.420 nan 0.000 0.219 237 P C 0.655 178.051 177.300 0.160 0.000 1.146 237 P CA 1.267 64.401 63.100 0.057 0.000 0.808 237 P CB 0.368 32.043 31.700 -0.041 0.000 0.779 238 K N -0.579 120.040 120.400 0.366 0.000 2.487 238 K HA 0.120 4.441 4.320 0.001 0.000 0.192 238 K C 1.715 178.345 176.600 0.050 0.000 1.027 238 K CA 0.429 56.812 56.287 0.160 0.000 1.054 238 K CB -0.004 32.562 32.500 0.109 0.000 0.824 238 K HN 0.069 nan 8.250 nan 0.000 0.510 239 S N 0.294 116.050 115.700 0.093 0.000 2.502 239 S HA 0.062 4.533 4.470 0.001 0.000 0.215 239 S C 0.517 175.154 174.600 0.062 0.000 1.009 239 S CA -0.244 57.982 58.200 0.043 0.000 0.908 239 S CB 0.539 63.773 63.200 0.057 0.000 0.801 239 S HN -0.063 nan 8.310 nan 0.000 0.505 240 V N 4.107 124.069 119.914 0.081 0.000 2.485 240 V HA 0.118 4.239 4.120 0.001 0.000 0.287 240 V C 1.180 177.285 176.094 0.018 0.000 1.022 240 V CA 0.314 62.669 62.300 0.092 0.000 1.067 240 V CB 0.491 32.395 31.823 0.135 0.000 0.967 240 V HN 0.317 nan 8.190 nan 0.000 0.479 241 R N 4.114 124.626 120.500 0.020 0.000 2.254 241 R HA 0.379 4.720 4.340 0.001 0.000 0.193 241 R C 0.065 176.301 176.300 -0.106 0.000 0.929 241 R CA 0.486 56.493 56.100 -0.156 0.000 1.038 241 R CB 0.485 30.506 30.300 -0.464 0.000 1.009 241 R HN 0.549 nan 8.270 nan 0.000 0.512 242 I N 3.181 123.746 120.570 -0.008 0.000 2.439 242 I HA 0.264 4.434 4.170 0.001 0.000 0.283 242 I C -2.481 173.467 176.117 -0.282 0.000 1.023 242 I CA -2.512 58.723 61.300 -0.108 0.000 1.100 242 I CB 2.358 40.348 38.000 -0.016 0.000 1.238 242 I HN -0.304 nan 8.210 nan 0.000 0.445 243 P HA 0.025 nan 4.420 nan 0.000 0.265 243 P C 1.054 177.583 177.300 -1.285 0.000 1.193 243 P CA 0.131 62.650 63.100 -0.968 0.000 0.765 243 P CB 0.860 31.875 31.700 -1.141 0.000 0.823 244 G N 2.659 110.303 108.800 -1.928 0.000 2.432 244 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 244 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 244 G C 0.937 175.485 174.900 -0.587 0.000 1.135 244 G CA 0.536 44.996 45.100 -1.065 0.000 0.767 244 G HN 0.632 nan 8.290 nan 0.000 0.550 245 Y N 0.056 120.115 120.300 -0.402 0.000 2.651 245 Y HA 0.246 4.797 4.550 0.003 0.000 0.296 245 Y C 2.013 177.740 175.900 -0.289 0.000 1.150 245 Y CA -0.001 57.966 58.100 -0.222 0.000 1.348 245 Y CB -0.507 37.862 38.460 -0.152 0.000 0.983 245 Y HN 0.132 nan 8.280 nan 0.000 0.555 246 L N -0.060 120.905 121.223 -0.430 0.000 2.446 246 L HA 0.116 4.457 4.340 0.001 0.000 0.219 246 L C 0.186 176.982 176.870 -0.123 0.000 1.116 246 L CA -0.124 54.503 54.840 -0.356 0.000 0.844 246 L CB 0.036 41.876 42.059 -0.364 0.000 0.970 246 L HN 0.022 nan 8.230 nan 0.000 0.457 247 V N 0.396 120.229 119.914 -0.135 0.000 2.439 247 V HA 0.123 4.244 4.120 0.001 0.000 0.282 247 V C 0.312 176.391 176.094 -0.025 0.000 1.039 247 V CA -0.302 61.958 62.300 -0.067 0.000 0.913 247 V CB 1.763 33.526 31.823 -0.100 0.000 0.983 247 V HN 0.138 nan 8.190 nan 0.000 0.460 248 D N 3.438 123.834 120.400 -0.007 0.000 2.431 248 D HA 0.287 4.928 4.640 0.001 0.000 0.227 248 D C 0.209 176.470 176.300 -0.066 0.000 1.030 248 D CA 0.879 54.865 54.000 -0.023 0.000 0.897 248 D CB 1.333 42.122 40.800 -0.019 0.000 1.058 248 D HN 0.397 nan 8.370 nan 0.000 0.500 249 I N 1.205 121.739 120.570 -0.059 0.000 2.569 249 I HA 0.209 4.380 4.170 0.001 0.000 0.290 249 I C -0.840 175.250 176.117 -0.044 0.000 1.088 249 I CA -0.868 60.390 61.300 -0.070 0.000 1.047 249 I CB 3.205 41.145 38.000 -0.100 0.000 1.237 249 I HN -0.392 nan 8.210 nan 0.000 0.421 250 V N 6.338 126.227 119.914 -0.042 0.000 2.483 250 V HA 0.469 4.589 4.120 0.001 0.000 0.295 250 V C -0.187 175.883 176.094 -0.039 0.000 1.035 250 V CA -0.693 61.583 62.300 -0.040 0.000 0.896 250 V CB 2.112 33.914 31.823 -0.036 0.000 0.986 250 V HN 0.409 nan 8.190 nan 0.000 0.447 251 V N 5.249 125.134 119.914 -0.048 0.000 2.409 251 V HA 0.412 4.533 4.120 0.001 0.000 0.291 251 V C -0.206 175.861 176.094 -0.046 0.000 1.020 251 V CA -0.628 61.644 62.300 -0.048 0.000 0.848 251 V CB 1.877 33.659 31.823 -0.068 0.000 0.990 251 V HN 0.607 nan 8.190 nan 0.000 0.430 252 V N 3.736 123.629 119.914 -0.035 0.000 2.383 252 V HA 0.386 4.507 4.120 0.001 0.000 0.275 252 V C -0.262 175.814 176.094 -0.030 0.000 1.036 252 V CA -0.279 62.002 62.300 -0.033 0.000 0.889 252 V CB 1.571 33.379 31.823 -0.024 0.000 0.985 252 V HN 0.926 nan 8.190 nan 0.000 0.459 253 D N 7.471 127.852 120.400 -0.032 0.000 2.464 253 D HA 0.374 5.015 4.640 0.001 0.000 0.243 253 D C -1.501 174.788 176.300 -0.020 0.000 1.104 253 D CA -2.168 51.817 54.000 -0.025 0.000 0.883 253 D CB 2.285 43.069 40.800 -0.026 0.000 1.050 253 D HN 0.222 nan 8.370 nan 0.000 0.524 254 P HA -0.021 nan 4.420 nan 0.000 0.226 254 P C 0.171 177.466 177.300 -0.007 0.000 1.153 254 P CA 0.603 63.696 63.100 -0.012 0.000 0.777 254 P CB 0.532 32.227 31.700 -0.009 0.000 0.794 255 D N -0.723 119.674 120.400 -0.005 0.000 2.328 255 D HA 0.001 4.642 4.640 0.001 0.000 0.221 255 D C 0.957 177.260 176.300 0.005 0.000 1.072 255 D CA 0.121 54.122 54.000 0.001 0.000 0.850 255 D CB -0.341 40.461 40.800 0.003 0.000 0.922 255 D HN 0.318 nan 8.370 nan 0.000 0.516 256 Q N 1.005 120.804 119.800 -0.002 0.000 2.304 256 Q HA 0.031 4.371 4.340 0.001 0.000 0.301 256 Q C -0.382 175.622 176.000 0.008 0.000 1.063 256 Q CA 0.472 56.276 55.803 0.000 0.000 0.947 256 Q CB 0.535 29.263 28.738 -0.017 0.000 1.201 256 Q HN -0.059 nan 8.270 nan 0.000 0.389 257 S N 2.088 117.801 115.700 0.021 0.000 2.526 257 S HA 0.189 4.660 4.470 0.001 0.000 0.293 257 S C 0.267 174.881 174.600 0.023 0.000 1.092 257 S CA -0.629 57.589 58.200 0.029 0.000 0.980 257 S CB 1.726 64.956 63.200 0.050 0.000 1.048 257 S HN 0.851 nan 8.310 nan 0.000 0.483 258 Q N 1.787 121.598 119.800 0.019 0.000 2.124 258 Q HA 0.061 4.402 4.340 0.001 0.000 0.202 258 Q C -0.098 175.896 176.000 -0.009 0.000 0.977 258 Q CA 1.261 57.069 55.803 0.008 0.000 0.850 258 Q CB -0.040 28.707 28.738 0.015 0.000 0.901 258 Q HN 0.577 nan 8.270 nan 0.000 0.429 259 L N -1.696 119.529 121.223 0.004 0.000 2.322 259 L HA 0.353 4.694 4.340 0.001 0.000 0.252 259 L C -0.759 176.150 176.870 0.066 0.000 1.055 259 L CA -1.467 53.356 54.840 -0.029 0.000 0.849 259 L CB 0.832 42.883 42.059 -0.015 0.000 1.446 259 L HN -0.073 nan 8.230 nan 0.000 0.416 260 Y N 0.656 120.968 120.300 0.020 0.000 2.757 260 Y HA 0.268 4.818 4.550 0.001 0.000 0.344 260 Y C 1.378 177.288 175.900 0.016 0.000 1.263 260 Y CA 0.740 58.850 58.100 0.018 0.000 1.493 260 Y CB 0.018 38.489 38.460 0.020 0.000 1.342 260 Y HN 0.730 nan 8.280 nan 0.000 0.627 261 G N -0.318 108.592 108.800 0.183 0.000 2.179 261 G HA2 -0.048 3.912 3.960 0.001 0.000 0.220 261 G HA3 -0.048 3.912 3.960 0.001 0.000 0.220 261 G C 0.982 175.921 174.900 0.065 0.000 0.990 261 G CA 0.310 45.467 45.100 0.095 0.000 0.646 261 G HN 1.748 nan 8.290 nan 0.000 0.517 262 G N -0.182 108.660 108.800 0.070 0.000 2.212 262 G HA2 0.127 4.088 3.960 0.001 0.000 0.267 262 G HA3 0.127 4.088 3.960 0.001 0.000 0.267 262 G C 0.964 175.886 174.900 0.038 0.000 1.002 262 G CA 1.301 46.429 45.100 0.047 0.000 0.729 262 G HN 2.344 nan 8.290 nan 0.000 0.517 263 A N 0.510 123.356 122.820 0.042 0.000 2.483 263 A HA 0.589 4.909 4.320 0.001 0.000 0.238 263 A C -0.519 177.083 177.584 0.031 0.000 1.070 263 A CA -0.198 51.860 52.037 0.035 0.000 0.770 263 A CB 0.181 19.204 19.000 0.039 0.000 1.008 263 A HN 0.333 nan 8.150 nan 0.000 0.497 264 P HA 0.101 nan 4.420 nan 0.000 0.270 264 P C 0.205 177.520 177.300 0.025 0.000 1.227 264 P CA -0.327 62.785 63.100 0.020 0.000 0.788 264 P CB 0.295 32.004 31.700 0.015 0.000 0.926 265 V N 2.059 121.985 119.914 0.020 0.000 2.644 265 V HA -0.047 4.074 4.120 0.001 0.000 0.305 265 V C 0.397 176.509 176.094 0.030 0.000 1.053 265 V CA 0.246 62.560 62.300 0.023 0.000 1.186 265 V CB -0.541 31.292 31.823 0.016 0.000 0.895 265 V HN 0.570 nan 8.190 nan 0.000 0.490 266 N N 6.664 125.393 118.700 0.048 0.000 2.457 266 N HA 0.325 5.065 4.740 0.001 0.000 0.250 266 N C 0.721 176.274 175.510 0.072 0.000 0.982 266 N CA -0.562 52.534 53.050 0.077 0.000 0.941 266 N CB 1.185 39.743 38.487 0.118 0.000 1.120 266 N HN 0.659 nan 8.380 nan 0.000 0.505 267 R N 2.852 123.358 120.500 0.009 0.000 2.276 267 R HA 0.023 4.364 4.340 0.001 0.000 0.203 267 R C 0.909 177.240 176.300 0.053 0.000 1.017 267 R CA 0.445 56.569 56.100 0.040 0.000 1.010 267 R CB -0.242 30.139 30.300 0.134 0.000 0.900 267 R HN 0.534 nan 8.270 nan 0.000 0.469 268 F N 0.730 120.780 119.950 0.166 0.000 2.163 268 F HA -0.034 4.494 4.527 0.001 0.000 0.297 268 F C 2.317 178.153 175.800 0.061 0.000 1.094 268 F CA 0.762 58.838 58.000 0.126 0.000 1.290 268 F CB -0.595 38.452 39.000 0.078 0.000 1.017 268 F HN -0.142 nan 8.300 nan 0.000 0.483 269 I N -0.563 120.144 120.570 0.228 0.000 2.226 269 I HA -0.305 3.866 4.170 0.001 0.000 0.245 269 I C 2.312 178.465 176.117 0.061 0.000 1.100 269 I CA 1.288 62.656 61.300 0.112 0.000 1.374 269 I CB -0.607 37.445 38.000 0.085 0.000 1.057 269 I HN 0.044 nan 8.210 nan 0.000 0.413 270 S N 0.210 115.945 115.700 0.059 0.000 2.419 270 S HA -0.113 4.357 4.470 0.001 0.000 0.235 270 S C 1.692 176.294 174.600 0.003 0.000 1.019 270 S CA 1.253 59.469 58.200 0.027 0.000 0.982 270 S CB -0.267 62.948 63.200 0.025 0.000 0.789 270 S HN 0.765 nan 8.310 nan 0.000 0.490 271 G N 0.746 109.556 108.800 0.017 0.000 2.163 271 G HA2 -0.178 3.782 3.960 0.001 0.000 0.213 271 G HA3 -0.178 3.782 3.960 0.001 0.000 0.213 271 G C 0.268 175.122 174.900 -0.077 0.000 0.991 271 G CA 0.304 45.397 45.100 -0.012 0.000 0.653 271 G HN 0.446 nan 8.290 nan 0.000 0.518 272 D N -0.508 119.805 120.400 -0.145 0.000 2.305 272 D HA 0.269 4.909 4.640 0.001 0.000 0.206 272 D C 0.550 176.375 176.300 -0.792 0.000 0.974 272 D CA 0.779 54.505 54.000 -0.456 0.000 0.871 272 D CB 0.199 40.677 40.800 -0.537 0.000 0.947 272 D HN 0.410 nan 8.370 nan 0.000 0.516 273 F N -0.376 119.525 119.950 -0.081 0.000 2.588 273 F HA 0.318 4.846 4.527 0.001 0.000 0.314 273 F C 0.254 176.178 175.800 0.206 0.000 1.069 273 F CA -0.978 56.995 58.000 -0.045 0.000 0.931 273 F CB 1.717 40.498 39.000 -0.365 0.000 1.260 273 F HN -0.519 nan 8.300 nan 0.000 0.465 274 T N 3.436 118.236 114.554 0.411 0.000 2.738 274 T HA 0.358 4.708 4.350 0.001 0.000 0.298 274 T C -0.430 174.485 174.700 0.358 0.000 0.962 274 T CA -0.348 61.936 62.100 0.306 0.000 0.972 274 T CB 0.453 69.416 68.868 0.159 0.000 0.928 274 T HN 0.426 nan 8.240 nan 0.000 0.474 275 L N 4.209 125.534 121.223 0.171 0.000 2.455 275 L HA 0.236 4.577 4.340 0.001 0.000 0.272 275 L C 0.644 177.452 176.870 -0.103 0.000 1.174 275 L CA -0.026 54.660 54.840 -0.255 0.000 0.869 275 L CB 0.377 42.105 42.059 -0.550 0.000 1.130 275 L HN 0.507 nan 8.230 nan 0.000 0.474 285 L N 3.709 124.922 121.223 -0.017 0.000 2.385 285 L HA 0.468 4.809 4.340 0.001 0.000 0.285 285 L C -0.106 176.753 176.870 -0.018 0.000 1.125 285 L CA 0.402 55.227 54.840 -0.025 0.000 0.890 285 L CB -0.870 41.181 42.059 -0.014 0.000 1.251 285 L HN 0.551 nan 8.230 nan 0.000 0.445 286 N N 1.553 120.234 118.700 -0.031 0.000 2.761 286 N HA 0.258 4.999 4.740 0.001 0.000 0.283 286 N C 0.331 175.818 175.510 -0.037 0.000 1.377 286 N CA -0.317 52.720 53.050 -0.021 0.000 0.791 286 N CB 0.245 38.723 38.487 -0.015 0.000 1.540 286 N HN 0.441 nan 8.380 nan 0.000 0.539 287 Q N -0.151 119.637 119.800 -0.020 0.000 2.152 287 Q HA -0.171 4.170 4.340 0.001 0.000 0.206 287 Q C 1.071 177.041 176.000 -0.051 0.000 0.985 287 Q CA 1.358 57.146 55.803 -0.025 0.000 0.863 287 Q CB -0.263 28.476 28.738 0.001 0.000 0.904 287 Q HN 0.567 nan 8.270 nan 0.000 0.422 288 R N 0.763 121.234 120.500 -0.048 0.000 2.075 288 R HA -0.042 4.299 4.340 0.001 0.000 0.232 288 R C 2.375 178.623 176.300 -0.087 0.000 1.126 288 R CA 1.492 57.556 56.100 -0.060 0.000 0.963 288 R CB -0.222 30.050 30.300 -0.046 0.000 0.858 288 R HN 0.268 nan 8.270 nan 0.000 0.435 289 K N 0.872 121.218 120.400 -0.089 0.000 2.097 289 K HA -0.131 4.189 4.320 0.001 0.000 0.205 289 K C 2.060 178.558 176.600 -0.170 0.000 1.050 289 K CA 0.806 57.025 56.287 -0.113 0.000 0.938 289 K CB -0.050 32.396 32.500 -0.090 0.000 0.718 289 K HN 0.004 nan 8.250 nan 0.000 0.442 290 L N 0.883 121.996 121.223 -0.184 0.000 2.012 290 L HA -0.164 4.177 4.340 0.001 0.000 0.210 290 L C 1.947 178.647 176.870 -0.283 0.000 1.073 290 L CA 1.567 56.235 54.840 -0.286 0.000 0.748 290 L CB -0.544 41.350 42.059 -0.275 0.000 0.891 290 L HN -0.029 nan 8.230 nan 0.000 0.431 291 V N 0.105 119.909 119.914 -0.183 0.000 2.307 291 V HA -0.265 3.855 4.120 0.001 0.000 0.245 291 V C 2.832 178.815 176.094 -0.185 0.000 1.045 291 V CA 1.601 63.815 62.300 -0.143 0.000 1.024 291 V CB -1.277 30.511 31.823 -0.059 0.000 0.651 291 V HN 0.635 nan 8.190 nan 0.000 0.449 292 A N -0.110 122.598 122.820 -0.187 0.000 1.892 292 A HA -0.298 4.023 4.320 0.001 0.000 0.218 292 A C 2.351 179.762 177.584 -0.289 0.000 1.188 292 A CA 2.265 54.166 52.037 -0.226 0.000 0.631 292 A CB -0.578 18.314 19.000 -0.180 0.000 0.822 292 A HN 0.515 nan 8.150 nan 0.000 0.447 293 R N -1.474 118.838 120.500 -0.313 0.000 2.083 293 R HA -0.158 4.182 4.340 0.001 0.000 0.237 293 R C 2.485 178.382 176.300 -0.672 0.000 1.137 293 R CA 1.731 57.577 56.100 -0.423 0.000 0.951 293 R CB -0.278 29.773 30.300 -0.416 0.000 0.851 293 R HN 0.426 nan 8.270 nan 0.000 0.434 294 R N 0.904 121.014 120.500 -0.650 0.000 2.115 294 R HA -0.013 4.327 4.340 0.001 0.000 0.230 294 R C 1.855 177.943 176.300 -0.353 0.000 1.111 294 R CA 1.635 57.309 56.100 -0.710 0.000 0.976 294 R CB -0.590 29.448 30.300 -0.436 0.000 0.870 294 R HN 0.261 nan 8.270 nan 0.000 0.445 295 A N 0.398 123.076 122.820 -0.237 0.000 1.933 295 A HA -0.111 4.209 4.320 0.001 0.000 0.218 295 A C 1.990 179.531 177.584 -0.072 0.000 1.175 295 A CA 1.408 53.399 52.037 -0.077 0.000 0.628 295 A CB -0.642 18.217 19.000 -0.234 0.000 0.814 295 A HN 0.359 nan 8.150 nan 0.000 0.444 296 L N -1.444 119.629 121.223 -0.251 0.000 2.191 296 L HA -0.040 4.300 4.340 0.001 0.000 0.212 296 L C 1.882 178.661 176.870 -0.151 0.000 1.103 296 L CA 1.574 56.262 54.840 -0.253 0.000 0.769 296 L CB -0.786 41.063 42.059 -0.349 0.000 0.908 296 L HN 0.321 nan 8.230 nan 0.000 0.438 297 F N 0.298 120.003 119.950 -0.408 0.000 2.307 297 F HA -0.152 4.375 4.527 0.001 0.000 0.301 297 F C 2.383 178.195 175.800 0.020 0.000 1.076 297 F CA 0.909 58.789 58.000 -0.200 0.000 1.383 297 F CB -0.700 38.236 39.000 -0.105 0.000 1.055 297 F HN 0.260 nan 8.300 nan 0.000 0.526 298 E N -0.889 119.428 120.200 0.195 0.000 2.435 298 E HA -0.070 4.280 4.350 0.001 0.000 0.195 298 E C 1.004 177.643 176.600 0.066 0.000 1.029 298 E CA 0.073 56.546 56.400 0.122 0.000 0.865 298 E CB -0.212 29.543 29.700 0.092 0.000 0.833 298 E HN 0.216 nan 8.360 nan 0.000 0.510 299 M N 1.736 121.373 119.600 0.062 0.000 2.241 299 M HA 0.114 4.595 4.480 0.001 0.000 0.335 299 M C 0.035 176.323 176.300 -0.021 0.000 1.122 299 M CA -0.165 55.087 55.300 -0.080 0.000 1.164 299 M CB 0.485 32.858 32.600 -0.378 0.000 1.459 299 M HN -0.097 nan 8.290 nan 0.000 0.461 300 R N 1.865 122.333 120.500 -0.053 0.000 2.837 300 R HA 0.563 4.903 4.340 0.001 0.000 0.271 300 R C -1.029 175.292 176.300 0.035 0.000 0.993 300 R CA -1.158 54.942 56.100 -0.000 0.000 0.931 300 R CB 0.937 31.240 30.300 0.005 0.000 1.206 300 R HN 0.629 nan 8.270 nan 0.000 0.474 301 K N 0.672 121.104 120.400 0.053 0.000 2.484 301 K HA 0.091 4.412 4.320 0.001 0.000 0.280 301 K C 0.576 177.236 176.600 0.101 0.000 1.013 301 K CA 1.673 58.016 56.287 0.094 0.000 1.029 301 K CB 0.112 32.644 32.500 0.053 0.000 0.902 301 K HN 0.881 nan 8.250 nan 0.000 0.481 302 G N 1.872 110.760 108.800 0.147 0.000 2.155 302 G HA2 -0.304 3.657 3.960 0.001 0.000 0.257 302 G HA3 -0.304 3.657 3.960 0.001 0.000 0.257 302 G C 0.063 175.041 174.900 0.131 0.000 0.983 302 G CA 0.297 45.471 45.100 0.123 0.000 0.676 302 G HN 0.881 nan 8.290 nan 0.000 0.528 303 A N -0.841 122.073 122.820 0.158 0.000 2.286 303 A HA 0.795 5.115 4.320 0.001 0.000 0.286 303 A C 0.252 177.950 177.584 0.190 0.000 1.097 303 A CA 0.006 52.121 52.037 0.130 0.000 0.821 303 A CB 1.484 20.523 19.000 0.065 0.000 1.076 303 A HN 1.119 nan 8.150 nan 0.000 0.490 304 V N 1.446 121.457 119.914 0.162 0.000 2.370 304 V HA 0.657 4.778 4.120 0.001 0.000 0.283 304 V C 0.773 176.965 176.094 0.164 0.000 1.023 304 V CA 0.276 62.698 62.300 0.204 0.000 0.857 304 V CB 0.965 32.951 31.823 0.271 0.000 0.985 304 V HN 1.210 nan 8.190 nan 0.000 0.443 305 G N 3.092 112.011 108.800 0.198 0.000 2.816 305 G HA2 0.567 4.528 3.960 0.001 0.000 0.288 305 G HA3 0.567 4.528 3.960 0.001 0.000 0.288 305 G C -1.261 173.720 174.900 0.134 0.000 1.334 305 G CA -0.660 44.521 45.100 0.136 0.000 0.978 305 G HN 0.607 nan 8.290 nan 0.000 0.493 306 N N -0.647 118.099 118.700 0.076 0.000 2.454 306 N HA 0.320 5.061 4.740 0.001 0.000 0.291 306 N C -0.914 174.687 175.510 0.153 0.000 1.079 306 N CA -0.442 52.648 53.050 0.067 0.000 0.893 306 N CB 2.203 40.620 38.487 -0.116 0.000 1.512 306 N HN 0.657 nan 8.380 nan 0.000 0.497 307 V N 1.270 121.288 119.914 0.173 0.000 2.465 307 V HA 0.856 4.976 4.120 0.001 0.000 0.279 307 V C 0.831 176.985 176.094 0.100 0.000 1.045 307 V CA -0.352 62.042 62.300 0.157 0.000 0.938 307 V CB 0.793 32.642 31.823 0.044 0.000 0.986 307 V HN 0.579 nan 8.190 nan 0.000 0.467 308 G N 3.536 112.401 108.800 0.109 0.000 2.451 308 G HA2 0.549 4.510 3.960 0.001 0.000 0.303 308 G HA3 0.549 4.510 3.960 0.001 0.000 0.303 308 G C -0.074 174.881 174.900 0.092 0.000 1.166 308 G CA -0.342 44.823 45.100 0.109 0.000 0.884 308 G HN 1.721 nan 8.290 nan 0.000 0.514 309 V N 0.235 120.206 119.914 0.095 0.000 2.617 309 V HA 0.601 4.721 4.120 0.001 0.000 0.304 309 V C 1.054 177.197 176.094 0.080 0.000 1.040 309 V CA 0.511 62.856 62.300 0.076 0.000 1.149 309 V CB -0.104 31.762 31.823 0.072 0.000 0.914 309 V HN 2.042 nan 8.190 nan 0.000 0.487 310 G N 2.760 111.590 108.800 0.049 0.000 2.250 310 G HA2 -0.059 3.902 3.960 0.001 0.000 0.252 310 G HA3 -0.059 3.902 3.960 0.001 0.000 0.252 310 G C 0.067 174.968 174.900 0.001 0.000 1.325 310 G CA -0.282 44.837 45.100 0.031 0.000 1.091 310 G HN 1.039 nan 8.290 nan 0.000 0.476 311 I N 1.304 121.862 120.570 -0.020 0.000 2.756 311 I HA 0.172 4.342 4.170 0.001 0.000 0.262 311 I C 2.613 178.702 176.117 -0.047 0.000 1.225 311 I CA 2.220 63.496 61.300 -0.040 0.000 1.472 311 I CB -0.130 37.832 38.000 -0.063 0.000 1.094 311 I HN 0.726 nan 8.210 nan 0.000 0.454 312 A N 0.690 123.489 122.820 -0.034 0.000 2.072 312 A HA -0.165 4.156 4.320 0.001 0.000 0.216 312 A C 1.761 179.285 177.584 -0.100 0.000 1.156 312 A CA 1.180 53.170 52.037 -0.079 0.000 0.701 312 A CB -0.578 18.405 19.000 -0.027 0.000 0.816 312 A HN 0.642 nan 8.150 nan 0.000 0.458 313 D N -0.095 120.276 120.400 -0.048 0.000 2.311 313 D HA -0.051 4.590 4.640 0.001 0.000 0.212 313 D C 1.461 177.730 176.300 -0.052 0.000 0.972 313 D CA 1.171 55.149 54.000 -0.036 0.000 0.887 313 D CB -0.969 39.827 40.800 -0.007 0.000 0.915 313 D HN 0.273 nan 8.370 nan 0.000 0.497 314 G N 0.107 108.865 108.800 -0.069 0.000 2.679 314 G HA2 -0.064 3.897 3.960 0.001 0.000 0.212 314 G HA3 -0.064 3.897 3.960 0.001 0.000 0.212 314 G C 1.591 176.438 174.900 -0.089 0.000 1.137 314 G CA 0.184 45.242 45.100 -0.071 0.000 0.787 314 G HN 0.348 nan 8.290 nan 0.000 0.534 315 I N 1.386 121.877 120.570 -0.132 0.000 2.151 315 I HA -0.175 3.995 4.170 0.001 0.000 0.243 315 I C 3.062 179.160 176.117 -0.032 0.000 1.080 315 I CA 1.199 62.406 61.300 -0.156 0.000 1.339 315 I CB -0.338 37.465 38.000 -0.328 0.000 1.039 315 I HN 0.239 nan 8.210 nan 0.000 0.409 316 G N 0.999 109.798 108.800 -0.001 0.000 2.491 316 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 316 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 316 G C 1.678 176.586 174.900 0.013 0.000 1.180 316 G CA 0.714 45.832 45.100 0.030 0.000 0.774 316 G HN 0.291 nan 8.290 nan 0.000 0.562 317 L N 0.157 121.374 121.223 -0.011 0.000 2.079 317 L HA -0.114 4.227 4.340 0.001 0.000 0.210 317 L C 3.043 179.911 176.870 -0.004 0.000 1.081 317 L CA 0.585 55.416 54.840 -0.013 0.000 0.752 317 L CB -0.479 41.566 42.059 -0.024 0.000 0.896 317 L HN 0.128 nan 8.230 nan 0.000 0.433 318 V N 0.032 119.938 119.914 -0.013 0.000 2.307 318 V HA -0.275 3.846 4.120 0.001 0.000 0.245 318 V C 2.767 178.888 176.094 0.045 0.000 1.045 318 V CA 1.790 64.083 62.300 -0.012 0.000 1.024 318 V CB -0.901 30.882 31.823 -0.068 0.000 0.651 318 V HN 0.482 nan 8.190 nan 0.000 0.449 319 A N -0.044 122.831 122.820 0.092 0.000 1.940 319 A HA -0.260 4.061 4.320 0.001 0.000 0.219 319 A C 2.361 180.022 177.584 0.128 0.000 1.176 319 A CA 2.048 54.203 52.037 0.196 0.000 0.631 319 A CB -0.497 18.731 19.000 0.380 0.000 0.814 319 A HN 0.537 nan 8.150 nan 0.000 0.446 320 R N -0.858 119.678 120.500 0.061 0.000 2.075 320 R HA -0.096 4.244 4.340 0.001 0.000 0.232 320 R C 2.304 178.626 176.300 0.038 0.000 1.126 320 R CA 1.349 57.466 56.100 0.029 0.000 0.963 320 R CB -0.295 30.004 30.300 -0.001 0.000 0.858 320 R HN 0.726 nan 8.270 nan 0.000 0.435 321 E N 0.574 120.797 120.200 0.037 0.000 2.110 321 E HA -0.188 4.163 4.350 0.001 0.000 0.193 321 E C 1.205 177.843 176.600 0.064 0.000 0.988 321 E CA 1.001 57.423 56.400 0.037 0.000 0.804 321 E CB 0.269 29.984 29.700 0.024 0.000 0.745 321 E HN 0.244 nan 8.360 nan 0.000 0.458 322 E N -1.017 119.244 120.200 0.100 0.000 2.478 322 E HA 0.022 4.373 4.350 0.001 0.000 0.194 322 E C 1.069 177.751 176.600 0.137 0.000 1.045 322 E CA 0.724 57.213 56.400 0.149 0.000 0.868 322 E CB 0.845 30.694 29.700 0.249 0.000 0.885 322 E HN 0.424 nan 8.360 nan 0.000 0.505 323 G N 1.626 110.490 108.800 0.107 0.000 2.132 323 G HA2 -0.306 3.655 3.960 0.001 0.000 0.228 323 G HA3 -0.306 3.655 3.960 0.001 0.000 0.228 323 G C 0.898 175.855 174.900 0.096 0.000 1.000 323 G CA 0.371 45.519 45.100 0.079 0.000 0.693 323 G HN 0.404 nan 8.290 nan 0.000 0.515 324 C N -1.967 117.429 119.300 0.160 0.000 3.255 324 C HA 0.801 5.262 4.460 0.001 0.000 0.282 324 C C 2.523 177.635 174.990 0.204 0.000 1.441 324 C CA 0.444 59.587 59.018 0.209 0.000 1.785 324 C CB -0.128 27.794 27.740 0.304 0.000 2.583 324 C HN 1.373 nan 8.230 nan 0.000 0.615 325 A N 1.449 124.302 122.820 0.055 0.000 2.024 325 A HA -0.137 4.183 4.320 0.001 0.000 0.220 325 A C 1.679 179.034 177.584 -0.381 0.000 1.164 325 A CA 2.222 54.132 52.037 -0.211 0.000 0.643 325 A CB -0.432 18.492 19.000 -0.127 0.000 0.806 325 A HN 0.617 nan 8.150 nan 0.000 0.451 326 D N -0.308 119.990 120.400 -0.170 0.000 2.339 326 D HA 0.020 4.660 4.640 0.001 0.000 0.217 326 D C 0.175 176.420 176.300 -0.093 0.000 1.050 326 D CA 0.322 54.236 54.000 -0.143 0.000 0.856 326 D CB 0.039 40.797 40.800 -0.071 0.000 0.922 326 D HN 0.379 nan 8.370 nan 0.000 0.518 327 D N -0.168 120.216 120.400 -0.026 0.000 2.349 327 D HA 0.098 4.739 4.640 0.001 0.000 0.214 327 D C 0.511 176.963 176.300 0.253 0.000 1.063 327 D CA 0.041 54.109 54.000 0.113 0.000 0.847 327 D CB 0.427 41.327 40.800 0.166 0.000 0.933 327 D HN 0.284 nan 8.370 nan 0.000 0.513 328 F N -1.177 118.801 119.950 0.046 0.000 2.789 328 F HA 0.608 5.136 4.527 0.001 0.000 0.319 328 F C -1.679 174.149 175.800 0.047 0.000 1.168 328 F CA -1.674 56.359 58.000 0.054 0.000 0.934 328 F CB 1.196 40.243 39.000 0.078 0.000 1.375 328 F HN -0.302 nan 8.300 nan 0.000 0.480 329 I N 2.053 122.729 120.570 0.176 0.000 2.499 329 I HA 0.566 4.737 4.170 0.001 0.000 0.288 329 I C -1.723 174.501 176.117 0.179 0.000 1.048 329 I CA -0.872 60.456 61.300 0.047 0.000 1.062 329 I CB 1.888 39.909 38.000 0.036 0.000 1.238 329 I HN 0.654 nan 8.210 nan 0.000 0.426 330 L N 6.561 127.847 121.223 0.105 0.000 2.317 330 L HA 0.641 4.981 4.340 0.001 0.000 0.281 330 L C -0.044 176.884 176.870 0.097 0.000 1.024 330 L CA -0.614 54.319 54.840 0.156 0.000 0.810 330 L CB 1.847 43.999 42.059 0.155 0.000 1.240 330 L HN 0.667 nan 8.230 nan 0.000 0.427 331 T N -0.185 114.448 114.554 0.133 0.000 2.918 331 T HA 0.682 5.033 4.350 0.001 0.000 0.286 331 T C -0.401 174.378 174.700 0.132 0.000 1.026 331 T CA -0.747 61.428 62.100 0.124 0.000 1.031 331 T CB 2.045 71.035 68.868 0.204 0.000 1.046 331 T HN 0.168 nan 8.240 nan 0.000 0.479 332 V N 3.028 122.988 119.914 0.077 0.000 2.435 332 V HA 0.260 4.381 4.120 0.001 0.000 0.290 332 V C 1.360 177.479 176.094 0.042 0.000 1.030 332 V CA -0.658 61.678 62.300 0.061 0.000 0.881 332 V CB 1.174 33.006 31.823 0.014 0.000 0.983 332 V HN 1.079 nan 8.190 nan 0.000 0.445 333 E N 1.843 122.088 120.200 0.075 0.000 2.171 333 E HA -0.220 4.130 4.350 0.001 0.000 0.197 333 E C 1.741 178.196 176.600 -0.242 0.000 0.997 333 E CA 1.711 58.060 56.400 -0.085 0.000 0.810 333 E CB -0.131 29.617 29.700 0.080 0.000 0.738 333 E HN 0.960 nan 8.360 nan 0.000 0.467 334 T N -3.064 111.461 114.554 -0.048 0.000 3.160 334 T HA 0.243 4.594 4.350 0.001 0.000 0.257 334 T C 1.426 176.088 174.700 -0.063 0.000 1.147 334 T CA 0.495 62.592 62.100 -0.005 0.000 1.064 334 T CB 0.639 69.524 68.868 0.029 0.000 0.949 334 T HN 0.366 nan 8.240 nan 0.000 0.526 335 G N 0.977 109.704 108.800 -0.123 0.000 2.905 335 G HA2 -0.063 3.897 3.960 0.001 0.000 0.196 335 G HA3 -0.063 3.897 3.960 0.001 0.000 0.196 335 G C -2.631 172.191 174.900 -0.130 0.000 1.044 335 G CA -0.610 44.410 45.100 -0.134 0.000 0.778 335 G HN 0.516 nan 8.290 nan 0.000 0.474 336 P HA 0.505 nan 4.420 nan 0.000 0.267 336 P C -0.244 177.011 177.300 -0.075 0.000 1.200 336 P CA 0.447 63.484 63.100 -0.104 0.000 0.772 336 P CB 0.786 32.434 31.700 -0.086 0.000 0.855 337 I N 1.836 122.361 120.570 -0.075 0.000 2.447 337 I HA 0.546 4.717 4.170 0.001 0.000 0.287 337 I C 0.740 176.826 176.117 -0.052 0.000 1.023 337 I CA -0.114 61.150 61.300 -0.060 0.000 1.083 337 I CB 1.409 39.356 38.000 -0.088 0.000 1.245 337 I HN 0.616 nan 8.210 nan 0.000 0.434 338 G N 4.033 112.811 108.800 -0.038 0.000 2.693 338 G HA2 0.328 4.288 3.960 0.001 0.000 0.226 338 G HA3 0.328 4.288 3.960 0.001 0.000 0.226 338 G C -0.003 174.868 174.900 -0.049 0.000 1.354 338 G CA -0.174 44.894 45.100 -0.052 0.000 0.873 338 G HN 1.696 nan 8.290 nan 0.000 0.562 339 G N -1.965 106.800 108.800 -0.058 0.000 2.603 339 G HA2 0.523 4.484 3.960 0.001 0.000 0.686 339 G HA3 0.523 4.484 3.960 0.001 0.000 0.686 339 G C -0.219 174.651 174.900 -0.050 0.000 1.286 339 G CA 0.237 45.309 45.100 -0.047 0.000 0.871 339 G HN 2.495 nan 8.290 nan 0.000 0.568 340 I N -3.083 117.460 120.570 -0.044 0.000 3.042 340 I HA 0.875 5.046 4.170 0.001 0.000 0.310 340 I C 0.339 176.432 176.117 -0.040 0.000 1.117 340 I CA -1.046 60.226 61.300 -0.046 0.000 1.003 340 I CB 1.968 39.934 38.000 -0.055 0.000 1.228 340 I HN 0.629 nan 8.210 nan 0.000 0.443 350 N N -0.726 117.969 118.700 -0.008 0.000 2.513 350 N HA 0.566 5.307 4.740 0.001 0.000 0.274 350 N C -0.014 175.497 175.510 0.001 0.000 1.189 350 N CA -0.064 52.980 53.050 -0.011 0.000 0.975 350 N CB 1.626 40.102 38.487 -0.018 0.000 1.157 350 N HN 0.889 nan 8.380 nan 0.000 0.465 351 V N -0.699 119.215 119.914 -0.000 0.000 3.158 351 V HA 0.523 4.644 4.120 0.001 0.000 0.315 351 V C 0.012 176.114 176.094 0.013 0.000 1.148 351 V CA -0.933 61.385 62.300 0.030 0.000 1.042 351 V CB 1.698 33.549 31.823 0.046 0.000 1.101 351 V HN 0.780 nan 8.190 nan 0.000 0.448 352 N N 0.229 118.955 118.700 0.043 0.000 2.735 352 N HA -0.157 4.584 4.740 0.001 0.000 0.248 352 N C 0.362 175.867 175.510 -0.010 0.000 1.083 352 N CA 1.371 54.434 53.050 0.021 0.000 0.703 352 N CB -2.075 36.413 38.487 0.002 0.000 1.005 352 N HN 1.414 nan 8.380 nan 0.000 0.550 353 T N -2.981 111.565 114.554 -0.014 0.000 2.856 353 T HA 0.265 4.616 4.350 0.001 0.000 0.306 353 T C 1.426 176.102 174.700 -0.040 0.000 1.062 353 T CA -0.200 61.879 62.100 -0.036 0.000 1.083 353 T CB 1.488 70.327 68.868 -0.049 0.000 0.984 353 T HN 0.048 nan 8.240 nan 0.000 0.542 354 R N 0.794 121.264 120.500 -0.050 0.000 2.206 354 R HA 0.517 4.858 4.340 0.001 0.000 0.198 354 R C 0.701 176.968 176.300 -0.055 0.000 0.986 354 R CA 0.653 56.723 56.100 -0.050 0.000 1.029 354 R CB -0.382 29.886 30.300 -0.054 0.000 0.966 354 R HN 0.896 nan 8.270 nan 0.000 0.487 355 A N 0.453 123.234 122.820 -0.065 0.000 2.601 355 A HA 0.666 4.986 4.320 0.001 0.000 0.291 355 A C -1.511 176.021 177.584 -0.086 0.000 1.075 355 A CA -0.651 51.346 52.037 -0.068 0.000 0.671 355 A CB 1.188 20.143 19.000 -0.074 0.000 1.277 355 A HN 0.061 nan 8.150 nan 0.000 0.417 356 I N 1.646 122.167 120.570 -0.081 0.000 2.468 356 I HA 0.345 4.515 4.170 0.001 0.000 0.285 356 I C -0.698 175.409 176.117 -0.017 0.000 1.039 356 I CA -0.236 60.985 61.300 -0.132 0.000 1.074 356 I CB 1.538 39.334 38.000 -0.339 0.000 1.228 356 I HN 0.511 nan 8.210 nan 0.000 0.436 357 L N 4.065 125.262 121.223 -0.044 0.000 2.416 357 L HA 0.368 4.709 4.340 0.001 0.000 0.262 357 L C 0.070 176.982 176.870 0.071 0.000 1.093 357 L CA -0.819 54.023 54.840 0.003 0.000 0.801 357 L CB 1.093 43.094 42.059 -0.097 0.000 1.191 357 L HN 0.632 nan 8.230 nan 0.000 0.459 358 D N -0.054 120.390 120.400 0.074 0.000 2.423 358 D HA -0.023 4.618 4.640 0.001 0.000 0.238 358 D C 1.002 177.302 176.300 -0.000 0.000 1.142 358 D CA -0.266 53.764 54.000 0.050 0.000 0.884 358 D CB 0.945 41.726 40.800 -0.031 0.000 1.199 358 D HN 0.596 nan 8.370 nan 0.000 0.438 359 M N 1.620 121.236 119.600 0.027 0.000 2.117 359 M HA -0.206 4.275 4.480 0.001 0.000 0.262 359 M C 1.339 177.699 176.300 0.101 0.000 1.065 359 M CA 1.757 57.087 55.300 0.050 0.000 1.114 359 M CB -0.277 32.403 32.600 0.133 0.000 1.361 359 M HN 0.619 nan 8.290 nan 0.000 0.408 360 T N 0.349 114.954 114.554 0.086 0.000 2.684 360 T HA -0.119 4.231 4.350 0.001 0.000 0.267 360 T C 1.796 176.511 174.700 0.025 0.000 1.036 360 T CA 1.903 64.052 62.100 0.081 0.000 1.148 360 T CB -0.480 68.408 68.868 0.033 0.000 0.863 360 T HN 0.499 nan 8.240 nan 0.000 0.436 361 S N 1.407 117.093 115.700 -0.024 0.000 2.382 361 S HA -0.169 4.302 4.470 0.001 0.000 0.228 361 S C 2.143 176.676 174.600 -0.113 0.000 1.027 361 S CA 1.169 59.337 58.200 -0.053 0.000 0.991 361 S CB -0.399 62.764 63.200 -0.062 0.000 0.823 361 S HN 0.404 nan 8.310 nan 0.000 0.469 362 Q N 0.750 120.424 119.800 -0.212 0.000 2.061 362 Q HA -0.057 4.283 4.340 0.001 0.000 0.204 362 Q C 1.601 177.196 176.000 -0.674 0.000 0.984 362 Q CA 1.690 57.208 55.803 -0.475 0.000 0.846 362 Q CB -0.471 27.900 28.738 -0.613 0.000 0.902 362 Q HN 0.526 nan 8.270 nan 0.000 0.421 363 F N 0.681 120.385 119.950 -0.410 0.000 2.234 363 F HA -0.141 4.386 4.527 0.001 0.000 0.299 363 F C 1.860 177.383 175.800 -0.462 0.000 1.087 363 F CA 1.214 58.955 58.000 -0.432 0.000 1.340 363 F CB -0.257 38.538 39.000 -0.342 0.000 1.031 363 F HN 0.163 nan 8.300 nan 0.000 0.500 364 D N -0.167 120.170 120.400 -0.105 0.000 2.104 364 D HA -0.245 4.395 4.640 0.001 0.000 0.194 364 D C 2.143 178.478 176.300 0.058 0.000 0.994 364 D CA 1.320 55.302 54.000 -0.030 0.000 0.830 364 D CB -0.814 39.997 40.800 0.020 0.000 0.959 364 D HN 0.249 nan 8.370 nan 0.000 0.452 365 F N 1.262 121.150 119.950 -0.104 0.000 2.095 365 F HA -0.302 4.225 4.527 0.001 0.000 0.298 365 F C 2.193 178.064 175.800 0.118 0.000 1.104 365 F CA 1.364 59.343 58.000 -0.034 0.000 1.232 365 F CB -0.512 38.418 39.000 -0.116 0.000 0.987 365 F HN -0.081 nan 8.300 nan 0.000 0.475 366 Y N 0.293 120.515 120.300 -0.129 0.000 2.145 366 Y HA -0.219 4.331 4.550 0.001 0.000 0.286 366 Y C 2.833 178.729 175.900 -0.007 0.000 1.145 366 Y CA 1.641 59.645 58.100 -0.159 0.000 1.148 366 Y CB -1.712 36.749 38.460 0.002 0.000 0.981 366 Y HN 0.347 nan 8.280 nan 0.000 0.507 367 H N -1.759 117.415 119.070 0.174 0.000 2.421 367 H HA -0.061 4.495 4.556 0.001 0.000 0.298 367 H C 2.066 177.415 175.328 0.036 0.000 1.087 367 H CA 0.465 56.578 56.048 0.109 0.000 1.330 367 H CB -0.178 29.650 29.762 0.110 0.000 1.388 367 H HN 0.332 nan 8.280 nan 0.000 0.526 368 G N -0.523 108.349 108.800 0.119 0.000 3.124 368 G HA2 0.218 4.179 3.960 0.001 0.000 0.212 368 G HA3 0.218 4.179 3.960 0.001 0.000 0.212 368 G C 0.991 175.865 174.900 -0.042 0.000 1.181 368 G CA 0.331 45.456 45.100 0.041 0.000 0.803 368 G HN 0.560 nan 8.290 nan 0.000 0.529 369 G N -0.913 107.840 108.800 -0.079 0.000 2.160 369 G HA2 -0.125 3.836 3.960 0.001 0.000 0.244 369 G HA3 -0.125 3.836 3.960 0.001 0.000 0.244 369 G C 1.212 175.965 174.900 -0.245 0.000 1.022 369 G CA 0.353 45.378 45.100 -0.125 0.000 0.741 369 G HN 0.955 nan 8.290 nan 0.000 0.508 370 G N -0.456 108.025 108.800 -0.533 0.000 2.443 370 G HA2 0.196 4.157 3.960 0.001 0.000 0.219 370 G HA3 0.196 4.157 3.960 0.001 0.000 0.219 370 G C 0.949 175.555 174.900 -0.490 0.000 1.131 370 G CA 0.509 45.055 45.100 -0.924 0.000 0.775 370 G HN 0.648 nan 8.290 nan 0.000 0.547 371 L N 1.551 122.556 121.223 -0.363 0.000 2.361 371 L HA 0.160 4.500 4.340 0.001 0.000 0.278 371 L C 0.661 177.455 176.870 -0.128 0.000 1.113 371 L CA -0.629 54.114 54.840 -0.163 0.000 0.849 371 L CB 1.096 43.002 42.059 -0.256 0.000 1.155 371 L HN 0.078 nan 8.230 nan 0.000 0.452 372 D N 2.128 122.492 120.400 -0.060 0.000 2.162 372 D HA 0.012 4.653 4.640 0.001 0.000 0.203 372 D C 0.225 176.441 176.300 -0.139 0.000 0.967 372 D CA 1.176 55.134 54.000 -0.070 0.000 0.840 372 D CB 0.547 41.337 40.800 -0.017 0.000 0.972 372 D HN 0.211 nan 8.370 nan 0.000 0.482 373 V N 1.040 120.845 119.914 -0.182 0.000 2.733 373 V HA 0.329 4.449 4.120 0.001 0.000 0.306 373 V C -0.157 175.673 176.094 -0.440 0.000 1.084 373 V CA -1.192 60.903 62.300 -0.341 0.000 0.905 373 V CB 2.292 33.892 31.823 -0.371 0.000 1.010 373 V HN 0.316 nan 8.190 nan 0.000 0.424 374 C N 3.058 122.008 119.300 -0.583 0.000 2.563 374 C HA 0.880 5.341 4.460 0.001 0.000 0.314 374 C C -1.189 173.372 174.990 -0.716 0.000 1.199 374 C CA -0.864 57.820 59.018 -0.557 0.000 1.564 374 C CB 0.850 28.328 27.740 -0.436 0.000 2.173 374 C HN 0.760 nan 8.230 nan 0.000 0.485 375 Y N 2.609 122.784 120.300 -0.210 0.000 2.335 375 Y HA 0.779 5.329 4.550 0.001 0.000 0.338 375 Y C 0.177 175.993 175.900 -0.140 0.000 0.977 375 Y CA -0.751 57.244 58.100 -0.175 0.000 1.114 375 Y CB 1.160 39.562 38.460 -0.096 0.000 1.182 375 Y HN 0.637 nan 8.280 nan 0.000 0.463 376 L N 1.941 123.156 121.223 -0.013 0.000 2.388 376 L HA 0.540 4.881 4.340 0.001 0.000 0.264 376 L C -0.187 176.879 176.870 0.327 0.000 0.998 376 L CA -0.868 54.049 54.840 0.128 0.000 0.817 376 L CB 2.422 44.475 42.059 -0.011 0.000 1.338 376 L HN 0.520 nan 8.230 nan 0.000 0.414 377 S N 1.150 117.054 115.700 0.338 0.000 2.614 377 S HA 0.638 5.108 4.470 0.001 0.000 0.265 377 S C -0.722 174.113 174.600 0.391 0.000 1.303 377 S CA -0.314 58.028 58.200 0.236 0.000 1.000 377 S CB 0.728 63.981 63.200 0.087 0.000 0.935 377 S HN 0.379 nan 8.310 nan 0.000 0.551 378 F N -1.502 118.528 119.950 0.134 0.000 2.588 378 F HA 0.837 5.365 4.527 0.001 0.000 0.310 378 F C 0.215 175.880 175.800 -0.225 0.000 1.082 378 F CA -1.239 56.740 58.000 -0.035 0.000 0.929 378 F CB 1.050 40.000 39.000 -0.083 0.000 1.254 378 F HN 0.514 nan 8.300 nan 0.000 0.455 379 A N 0.940 123.635 122.820 -0.209 0.000 1.993 379 A HA 0.398 4.719 4.320 0.001 0.000 0.207 379 A C 0.148 177.622 177.584 -0.183 0.000 1.224 379 A CA 0.404 52.136 52.037 -0.510 0.000 0.749 379 A CB -0.141 18.056 19.000 -1.337 0.000 0.884 379 A HN 0.809 nan 8.150 nan 0.000 0.467 380 E N -0.979 119.148 120.200 -0.121 0.000 2.367 380 E HA 0.581 4.932 4.350 0.001 0.000 0.273 380 E C -1.855 174.541 176.600 -0.340 0.000 0.903 380 E CA -0.742 55.558 56.400 -0.168 0.000 0.764 380 E CB 2.692 32.305 29.700 -0.144 0.000 1.252 380 E HN 0.016 nan 8.360 nan 0.000 0.446 381 V N 1.821 121.383 119.914 -0.587 0.000 2.656 381 V HA 0.310 4.431 4.120 0.001 0.000 0.307 381 V C -0.654 175.197 176.094 -0.405 0.000 1.051 381 V CA -0.834 61.042 62.300 -0.706 0.000 0.893 381 V CB 1.917 32.906 31.823 -1.390 0.000 0.999 381 V HN 0.800 nan 8.190 nan 0.000 0.426 382 D N 2.064 122.258 120.400 -0.343 0.000 2.506 382 D HA 0.238 4.879 4.640 0.001 0.000 0.254 382 D C 0.937 176.716 176.300 -0.870 0.000 1.089 382 D CA -0.645 53.135 54.000 -0.367 0.000 1.050 382 D CB 1.099 41.785 40.800 -0.190 0.000 1.221 382 D HN 0.558 nan 8.370 nan 0.000 0.589 383 Q N -0.807 118.233 119.800 -1.267 0.000 2.364 383 Q HA -0.190 4.150 4.340 0.001 0.000 0.209 383 Q C 0.625 176.036 176.000 -0.983 0.000 0.977 383 Q CA 1.275 56.038 55.803 -1.733 0.000 0.885 383 Q CB -0.465 27.562 28.738 -1.186 0.000 0.941 383 Q HN 0.515 nan 8.270 nan 0.000 0.464 384 H N -0.343 118.471 119.070 -0.427 0.000 2.539 384 H HA 0.214 4.771 4.556 0.001 0.000 0.267 384 H C 1.249 176.482 175.328 -0.157 0.000 0.982 384 H CA 0.673 56.586 56.048 -0.225 0.000 1.146 384 H CB 0.820 30.489 29.762 -0.155 0.000 1.382 384 H HN 0.564 nan 8.280 nan 0.000 0.577 385 G N 1.538 110.229 108.800 -0.181 0.000 2.148 385 G HA2 -0.283 3.678 3.960 0.001 0.000 0.254 385 G HA3 -0.283 3.678 3.960 0.001 0.000 0.254 385 G C 0.071 175.072 174.900 0.168 0.000 0.981 385 G CA -0.045 45.030 45.100 -0.041 0.000 0.670 385 G HN 0.323 nan 8.290 nan 0.000 0.528 386 N N -0.220 118.520 118.700 0.067 0.000 2.441 386 N HA 0.383 5.124 4.740 0.001 0.000 0.251 386 N C 0.161 175.704 175.510 0.055 0.000 1.242 386 N CA 0.386 53.508 53.050 0.120 0.000 0.898 386 N CB 1.627 40.148 38.487 0.056 0.000 1.100 386 N HN 0.191 nan 8.380 nan 0.000 0.443 387 V N -0.179 119.839 119.914 0.173 0.000 2.680 387 V HA 0.696 4.817 4.120 0.001 0.000 0.309 387 V C 0.544 176.668 176.094 0.050 0.000 1.052 387 V CA -0.928 61.344 62.300 -0.046 0.000 0.908 387 V CB 1.979 33.576 31.823 -0.377 0.000 1.001 387 V HN 0.763 nan 8.190 nan 0.000 0.431 388 G N 1.347 110.098 108.800 -0.081 0.000 2.530 388 G HA2 0.583 4.544 3.960 0.001 0.000 0.316 388 G HA3 0.583 4.544 3.960 0.001 0.000 0.316 388 G C 0.099 174.867 174.900 -0.220 0.000 1.298 388 G CA 0.068 45.100 45.100 -0.112 0.000 0.948 388 G HN 1.110 nan 8.290 nan 0.000 0.486 389 V N -0.422 119.327 119.914 -0.275 0.000 3.359 389 V HA 0.199 4.320 4.120 0.001 0.000 0.270 389 V C 1.515 177.601 176.094 -0.014 0.000 1.583 389 V CA 0.949 63.121 62.300 -0.213 0.000 1.019 389 V CB -0.553 31.040 31.823 -0.384 0.000 0.831 389 V HN 0.831 nan 8.190 nan 0.000 0.426 390 H N 1.798 120.777 119.070 -0.152 0.000 2.462 390 H HA 0.252 4.809 4.556 0.001 0.000 0.292 390 H C 0.301 175.503 175.328 -0.208 0.000 1.049 390 H CA 0.762 56.691 56.048 -0.198 0.000 1.334 390 H CB 0.301 29.813 29.762 -0.418 0.000 1.404 390 H HN 0.471 nan 8.280 nan 0.000 0.544 391 K N 0.231 120.287 120.400 -0.573 0.000 2.501 391 K HA 0.451 4.771 4.320 0.001 0.000 0.252 391 K C -1.664 174.876 176.600 -0.099 0.000 0.934 391 K CA -0.728 55.321 56.287 -0.396 0.000 0.797 391 K CB 2.710 34.907 32.500 -0.506 0.000 1.270 391 K HN 0.188 nan 8.250 nan 0.000 0.431 392 F N -0.395 119.417 119.950 -0.230 0.000 2.708 392 F HA 0.390 4.917 4.527 0.001 0.000 0.309 392 F C -0.182 175.551 175.800 -0.112 0.000 1.120 392 F CA -1.141 56.762 58.000 -0.162 0.000 0.978 392 F CB 0.998 39.917 39.000 -0.136 0.000 1.283 392 F HN 0.538 nan 8.300 nan 0.000 0.439 393 N N 1.303 120.019 118.700 0.027 0.000 2.776 393 N HA -0.112 4.628 4.740 0.001 0.000 0.250 393 N C 0.956 176.394 175.510 -0.119 0.000 1.112 393 N CA 2.068 55.095 53.050 -0.037 0.000 0.733 393 N CB -1.177 37.286 38.487 -0.040 0.000 1.097 393 N HN 2.101 nan 8.380 nan 0.000 0.558 394 G N -1.654 107.070 108.800 -0.127 0.000 2.166 394 G HA2 -0.347 3.614 3.960 0.001 0.000 0.260 394 G HA3 -0.347 3.614 3.960 0.001 0.000 0.260 394 G C -0.165 174.625 174.900 -0.184 0.000 0.986 394 G CA 1.019 46.036 45.100 -0.137 0.000 0.683 394 G HN 0.414 nan 8.290 nan 0.000 0.527 395 K N 0.017 120.252 120.400 -0.275 0.000 2.207 395 K HA 0.615 4.936 4.320 0.001 0.000 0.255 395 K C 0.417 176.818 176.600 -0.331 0.000 0.941 395 K CA -1.121 54.987 56.287 -0.299 0.000 0.825 395 K CB 1.673 33.958 32.500 -0.359 0.000 1.119 395 K HN 0.219 nan 8.250 nan 0.000 0.430 396 I N 3.451 123.867 120.570 -0.257 0.000 2.322 396 I HA 0.064 4.235 4.170 0.001 0.000 0.292 396 I C 1.316 177.319 176.117 -0.189 0.000 1.060 396 I CA -0.198 60.946 61.300 -0.260 0.000 1.309 396 I CB 0.728 38.541 38.000 -0.312 0.000 1.415 396 I HN 0.534 nan 8.210 nan 0.000 0.492 397 M N 5.363 124.846 119.600 -0.196 0.000 2.552 397 M HA 0.360 4.841 4.480 0.001 0.000 0.264 397 M C 0.813 177.020 176.300 -0.156 0.000 1.159 397 M CA 0.877 56.093 55.300 -0.141 0.000 1.176 397 M CB 0.220 32.795 32.600 -0.043 0.000 1.327 397 M HN 0.696 nan 8.290 nan 0.000 0.481 398 G N -0.674 108.104 108.800 -0.037 0.000 2.796 398 G HA2 -0.271 3.689 3.960 0.001 0.000 0.571 398 G HA3 -0.271 3.689 3.960 0.001 0.000 0.571 398 G C 0.309 175.334 174.900 0.207 0.000 1.370 398 G CA 0.261 45.433 45.100 0.120 0.000 0.856 398 G HN 0.668 nan 8.290 nan 0.000 0.538 399 T N -1.645 113.122 114.554 0.356 0.000 2.976 399 T HA 0.441 4.792 4.350 0.001 0.000 0.257 399 T C 2.706 177.708 174.700 0.503 0.000 1.051 399 T CA 1.736 64.088 62.100 0.420 0.000 1.141 399 T CB -0.475 68.675 68.868 0.469 0.000 0.881 399 T HN 2.824 nan 8.240 nan 0.000 0.461 400 G N 1.143 110.268 108.800 0.541 0.000 2.582 400 G HA2 -0.158 3.803 3.960 0.001 0.000 0.288 400 G HA3 -0.158 3.803 3.960 0.001 0.000 0.288 400 G C 0.947 176.091 174.900 0.408 0.000 1.247 400 G CA 0.168 45.550 45.100 0.469 0.000 0.972 400 G HN 1.154 nan 8.290 nan 0.000 0.557 401 G N -0.628 108.442 108.800 0.449 0.000 2.920 401 G HA2 0.338 4.299 3.960 0.001 0.000 0.208 401 G HA3 0.338 4.299 3.960 0.001 0.000 0.208 401 G C 1.324 176.510 174.900 0.476 0.000 1.159 401 G CA 1.064 46.487 45.100 0.537 0.000 0.784 401 G HN 0.702 nan 8.290 nan 0.000 0.535 402 F N 1.312 121.450 119.950 0.314 0.000 2.063 402 F HA -0.211 4.317 4.527 0.001 0.000 0.298 402 F C 2.335 178.303 175.800 0.280 0.000 1.109 402 F CA 1.720 59.889 58.000 0.283 0.000 1.212 402 F CB 0.039 39.227 39.000 0.313 0.000 0.973 402 F HN 0.145 nan 8.300 nan 0.000 0.480 403 I N 0.042 120.917 120.570 0.509 0.000 2.286 403 I HA -0.273 3.897 4.170 0.001 0.000 0.245 403 I C 1.957 178.211 176.117 0.229 0.000 1.104 403 I CA 1.421 62.938 61.300 0.361 0.000 1.397 403 I CB -0.677 37.528 38.000 0.341 0.000 1.072 403 I HN 0.181 nan 8.210 nan 0.000 0.417 404 D N 1.035 121.609 120.400 0.291 0.000 2.182 404 D HA -0.162 4.478 4.640 0.001 0.000 0.201 404 D C 2.168 178.671 176.300 0.337 0.000 0.986 404 D CA 1.503 55.752 54.000 0.414 0.000 0.847 404 D CB 0.085 41.270 40.800 0.642 0.000 0.942 404 D HN 0.422 nan 8.370 nan 0.000 0.467 405 I N 0.777 121.445 120.570 0.163 0.000 2.731 405 I HA -0.147 4.024 4.170 0.001 0.000 0.260 405 I C 2.359 178.373 176.117 -0.172 0.000 1.138 405 I CA 0.503 61.747 61.300 -0.093 0.000 1.461 405 I CB 0.088 37.977 38.000 -0.186 0.000 1.128 405 I HN -0.080 nan 8.210 nan 0.000 0.438 406 S N 0.868 116.463 115.700 -0.175 0.000 2.528 406 S HA 0.177 4.648 4.470 0.001 0.000 0.219 406 S C 1.967 176.644 174.600 0.130 0.000 0.985 406 S CA 0.398 58.498 58.200 -0.167 0.000 0.914 406 S CB 0.034 63.029 63.200 -0.340 0.000 0.776 406 S HN 0.307 nan 8.310 nan 0.000 0.526 407 A N 2.250 125.133 122.820 0.106 0.000 1.897 407 A HA 0.086 4.407 4.320 0.001 0.000 0.215 407 A C 2.302 179.921 177.584 0.058 0.000 1.181 407 A CA 1.643 53.742 52.037 0.103 0.000 0.620 407 A CB -0.789 18.250 19.000 0.064 0.000 0.821 407 A HN 0.727 nan 8.150 nan 0.000 0.443 408 T N -4.237 110.332 114.554 0.025 0.000 3.087 408 T HA 0.260 4.611 4.350 0.001 0.000 0.283 408 T C 0.459 175.131 174.700 -0.047 0.000 0.956 408 T CA 0.374 62.474 62.100 -0.001 0.000 0.894 408 T CB -0.151 68.725 68.868 0.013 0.000 1.160 408 T HN 0.095 nan 8.240 nan 0.000 0.532 409 S N 2.396 118.042 115.700 -0.091 0.000 2.558 409 S HA 0.208 4.679 4.470 0.001 0.000 0.288 409 S C 1.154 175.677 174.600 -0.128 0.000 1.318 409 S CA -0.472 57.636 58.200 -0.153 0.000 1.056 409 S CB 1.156 64.213 63.200 -0.239 0.000 0.853 409 S HN 0.328 nan 8.310 nan 0.000 0.505 410 K N 1.803 122.129 120.400 -0.123 0.000 2.063 410 K HA -0.052 4.268 4.320 0.001 0.000 0.208 410 K C 0.175 176.709 176.600 -0.110 0.000 1.048 410 K CA 1.408 57.638 56.287 -0.094 0.000 0.928 410 K CB 0.048 32.501 32.500 -0.078 0.000 0.713 410 K HN 0.436 nan 8.250 nan 0.000 0.442 411 K N 0.260 120.560 120.400 -0.168 0.000 2.426 411 K HA 0.404 4.725 4.320 0.001 0.000 0.254 411 K C -1.108 175.296 176.600 -0.326 0.000 0.936 411 K CA -0.371 55.792 56.287 -0.208 0.000 0.801 411 K CB 2.167 34.544 32.500 -0.205 0.000 1.139 411 K HN -0.121 nan 8.250 nan 0.000 0.424 412 I N 4.402 124.751 120.570 -0.367 0.000 2.382 412 I HA 0.302 4.473 4.170 0.001 0.000 0.286 412 I C -0.605 175.093 176.117 -0.698 0.000 1.002 412 I CA -0.702 60.237 61.300 -0.603 0.000 1.135 412 I CB 1.177 38.789 38.000 -0.647 0.000 1.288 412 I HN 0.355 nan 8.210 nan 0.000 0.448 413 I N 6.858 127.000 120.570 -0.714 0.000 2.371 413 I HA 0.307 4.477 4.170 0.001 0.000 0.282 413 I C -0.388 175.490 176.117 -0.398 0.000 1.031 413 I CA -0.442 60.581 61.300 -0.462 0.000 1.180 413 I CB 0.157 37.977 38.000 -0.300 0.000 1.336 413 I HN 0.289 nan 8.210 nan 0.000 0.467 414 F N 4.671 124.542 119.950 -0.132 0.000 2.412 414 F HA 0.342 4.869 4.527 0.001 0.000 0.348 414 F C 0.689 176.696 175.800 0.344 0.000 1.102 414 F CA -0.098 57.970 58.000 0.113 0.000 1.196 414 F CB 0.925 39.966 39.000 0.068 0.000 1.144 414 F HN 0.348 nan 8.300 nan 0.000 0.541 415 C N 2.126 121.769 119.300 0.572 0.000 2.482 415 C HA 0.944 5.404 4.460 0.001 0.000 0.317 415 C C 0.345 175.352 174.990 0.029 0.000 1.197 415 C CA -0.836 58.388 59.018 0.343 0.000 1.432 415 C CB 0.755 28.597 27.740 0.171 0.000 2.062 415 C HN 1.101 nan 8.230 nan 0.000 0.471 416 G N 1.622 110.392 108.800 -0.051 0.000 2.320 416 G HA2 0.626 4.587 3.960 0.001 0.000 0.296 416 G HA3 0.626 4.587 3.960 0.001 0.000 0.296 416 G C -0.802 174.043 174.900 -0.091 0.000 1.306 416 G CA -0.055 44.758 45.100 -0.478 0.000 0.836 416 G HN 0.814 nan 8.290 nan 0.000 0.517 417 T N -1.193 113.301 114.554 -0.100 0.000 2.918 417 T HA 0.503 4.854 4.350 0.001 0.000 0.283 417 T C 1.430 176.302 174.700 0.286 0.000 1.001 417 T CA -0.209 61.949 62.100 0.096 0.000 1.041 417 T CB 1.839 70.731 68.868 0.040 0.000 1.028 417 T HN 0.803 nan 8.240 nan 0.000 0.511 418 L N 1.288 122.689 121.223 0.297 0.000 2.156 418 L HA 0.162 4.502 4.340 0.001 0.000 0.208 418 L C 1.185 178.236 176.870 0.301 0.000 1.095 418 L CA 1.106 56.164 54.840 0.363 0.000 0.770 418 L CB -0.177 41.962 42.059 0.132 0.000 0.914 418 L HN 1.074 nan 8.230 nan 0.000 0.439 419 T N -3.025 111.633 114.554 0.172 0.000 2.930 419 T HA 0.807 5.157 4.350 0.001 0.000 0.290 419 T C -0.392 174.357 174.700 0.082 0.000 1.052 419 T CA -0.364 61.810 62.100 0.124 0.000 1.017 419 T CB 2.070 70.984 68.868 0.076 0.000 1.137 419 T HN 0.143 nan 8.240 nan 0.000 0.511 420 A N -0.259 122.598 122.820 0.061 0.000 2.389 420 A HA 0.988 5.309 4.320 0.001 0.000 0.293 420 A C 0.608 178.215 177.584 0.038 0.000 1.186 420 A CA -0.612 51.447 52.037 0.035 0.000 0.828 420 A CB 0.523 19.534 19.000 0.019 0.000 1.369 420 A HN 2.527 nan 8.150 nan 0.000 0.446 421 G N 0.241 109.062 108.800 0.036 0.000 2.884 421 G HA2 0.253 4.213 3.960 0.001 0.000 0.261 421 G HA3 0.253 4.213 3.960 0.001 0.000 0.261 421 G C 0.286 175.202 174.900 0.027 0.000 1.025 421 G CA 0.457 45.578 45.100 0.034 0.000 1.228 421 G HN 2.513 nan 8.290 nan 0.000 0.558 422 S N -2.322 113.393 115.700 0.025 0.000 3.447 422 S HA -0.224 4.247 4.470 0.001 0.000 0.371 422 S C 0.426 175.038 174.600 0.019 0.000 0.951 422 S CA 0.933 59.145 58.200 0.020 0.000 1.269 422 S CB -1.289 61.921 63.200 0.018 0.000 0.919 422 S HN 2.194 nan 8.310 nan 0.000 0.516 423 L N 1.047 122.282 121.223 0.021 0.000 2.319 423 L HA 0.583 4.924 4.340 0.001 0.000 0.280 423 L C -0.120 176.761 176.870 0.018 0.000 1.099 423 L CA 0.267 55.120 54.840 0.021 0.000 0.828 423 L CB 0.571 42.645 42.059 0.026 0.000 1.150 423 L HN 0.259 nan 8.230 nan 0.000 0.442 424 K N 4.171 124.581 120.400 0.017 0.000 2.358 424 K HA 0.551 4.872 4.320 0.001 0.000 0.260 424 K C -0.517 176.094 176.600 0.018 0.000 0.956 424 K CA -0.403 55.893 56.287 0.016 0.000 0.834 424 K CB 1.688 34.196 32.500 0.013 0.000 1.102 424 K HN 0.812 nan 8.250 nan 0.000 0.431 425 T N -0.538 114.028 114.554 0.020 0.000 2.916 425 T HA 0.629 4.979 4.350 0.001 0.000 0.292 425 T C -0.523 174.192 174.700 0.025 0.000 1.055 425 T CA -0.863 61.253 62.100 0.026 0.000 1.009 425 T CB 2.123 71.013 68.868 0.036 0.000 1.118 425 T HN 0.395 nan 8.240 nan 0.000 0.497 426 E N 0.758 120.975 120.200 0.029 0.000 2.293 426 E HA 0.547 4.897 4.350 0.001 0.000 0.270 426 E C -1.040 175.588 176.600 0.046 0.000 0.879 426 E CA -0.817 55.601 56.400 0.030 0.000 0.756 426 E CB 2.578 32.291 29.700 0.021 0.000 1.208 426 E HN 0.589 nan 8.360 nan 0.000 0.428 427 I N 2.369 122.971 120.570 0.054 0.000 2.330 427 I HA 0.587 4.757 4.170 0.001 0.000 0.289 427 I C -0.423 175.732 176.117 0.063 0.000 1.001 427 I CA -0.314 61.037 61.300 0.085 0.000 1.193 427 I CB 1.301 39.370 38.000 0.115 0.000 1.345 427 I HN 0.471 nan 8.210 nan 0.000 0.461 428 A N 3.984 126.836 122.820 0.053 0.000 2.539 428 A HA 0.574 4.894 4.320 0.001 0.000 0.296 428 A C -0.352 177.247 177.584 0.025 0.000 1.073 428 A CA -0.550 51.508 52.037 0.035 0.000 0.700 428 A CB 1.099 20.111 19.000 0.020 0.000 1.296 428 A HN 0.777 nan 8.150 nan 0.000 0.405 429 D N 0.428 120.841 120.400 0.022 0.000 2.882 429 D HA -0.211 4.430 4.640 0.001 0.000 0.229 429 D C 1.012 177.318 176.300 0.011 0.000 1.167 429 D CA 2.545 56.552 54.000 0.012 0.000 0.759 429 D CB -1.534 39.264 40.800 -0.003 0.000 1.088 429 D HN 2.224 nan 8.370 nan 0.000 0.425 430 G N -0.427 108.399 108.800 0.044 0.000 2.179 430 G HA2 -0.359 3.602 3.960 0.001 0.000 0.257 430 G HA3 -0.359 3.602 3.960 0.001 0.000 0.257 430 G C 0.185 175.058 174.900 -0.045 0.000 1.010 430 G CA 1.003 46.144 45.100 0.067 0.000 0.736 430 G HN 0.522 nan 8.290 nan 0.000 0.513 431 K N -1.167 119.196 120.400 -0.062 0.000 2.395 431 K HA 0.695 5.016 4.320 0.001 0.000 0.247 431 K C -0.658 175.900 176.600 -0.071 0.000 0.973 431 K CA -1.194 54.971 56.287 -0.204 0.000 0.828 431 K CB 2.246 34.665 32.500 -0.134 0.000 1.272 431 K HN 0.108 nan 8.250 nan 0.000 0.439 432 L N 1.518 122.666 121.223 -0.125 0.000 2.312 432 L HA 0.311 4.651 4.340 0.001 0.000 0.281 432 L C -1.213 175.654 176.870 -0.005 0.000 1.070 432 L CA 0.215 55.082 54.840 0.044 0.000 0.805 432 L CB 0.612 42.745 42.059 0.123 0.000 1.174 432 L HN 0.548 nan 8.230 nan 0.000 0.434 433 N N 5.177 123.888 118.700 0.019 0.000 2.483 433 N HA 0.444 5.184 4.740 0.001 0.000 0.267 433 N C -1.143 174.376 175.510 0.014 0.000 0.998 433 N CA -0.424 52.629 53.050 0.005 0.000 0.918 433 N CB 1.420 39.908 38.487 0.002 0.000 1.215 433 N HN 0.501 nan 8.380 nan 0.000 0.500 434 I N 2.791 123.366 120.570 0.009 0.000 2.389 434 I HA -0.015 4.156 4.170 0.001 0.000 0.295 434 I C 1.541 177.663 176.117 0.008 0.000 1.117 434 I CA -0.274 61.033 61.300 0.012 0.000 1.317 434 I CB 0.441 38.446 38.000 0.009 0.000 1.431 434 I HN 0.517 nan 8.210 nan 0.000 0.521 435 V N 2.287 122.208 119.914 0.010 0.000 2.725 435 V HA 0.081 4.201 4.120 0.001 0.000 0.247 435 V C 0.716 176.815 176.094 0.007 0.000 1.058 435 V CA 0.612 62.916 62.300 0.007 0.000 1.080 435 V CB -0.291 31.537 31.823 0.008 0.000 0.713 435 V HN 0.811 nan 8.190 nan 0.000 0.465 436 Q N 0.742 120.548 119.800 0.010 0.000 2.275 436 Q HA 0.362 4.703 4.340 0.001 0.000 0.266 436 Q C -1.057 174.950 176.000 0.013 0.000 1.002 436 Q CA -0.521 55.288 55.803 0.010 0.000 0.761 436 Q CB 2.150 30.894 28.738 0.010 0.000 1.255 436 Q HN 0.554 nan 8.270 nan 0.000 0.446 437 E N 1.918 122.125 120.200 0.011 0.000 2.373 437 E HA 0.326 4.676 4.350 0.001 0.000 0.267 437 E C -0.134 176.477 176.600 0.018 0.000 1.032 437 E CA 0.296 56.705 56.400 0.014 0.000 0.889 437 E CB 0.893 30.598 29.700 0.009 0.000 0.984 437 E HN 0.684 nan 8.360 nan 0.000 0.425 438 G N 3.390 112.205 108.800 0.025 0.000 2.554 438 G HA2 -0.021 3.940 3.960 0.001 0.000 0.238 438 G HA3 -0.021 3.940 3.960 0.001 0.000 0.238 438 G C 0.306 175.222 174.900 0.027 0.000 1.259 438 G CA -0.359 44.758 45.100 0.029 0.000 0.843 438 G HN 0.694 nan 8.290 nan 0.000 0.582 439 R N 0.052 120.568 120.500 0.027 0.000 2.148 439 R HA 0.030 4.370 4.340 0.001 0.000 0.223 439 R C 0.296 176.613 176.300 0.029 0.000 1.088 439 R CA 0.445 56.559 56.100 0.024 0.000 0.985 439 R CB -0.002 30.312 30.300 0.023 0.000 0.880 439 R HN 0.291 nan 8.270 nan 0.000 0.451 440 V N 2.068 122.004 119.914 0.038 0.000 2.495 440 V HA 0.195 4.316 4.120 0.001 0.000 0.298 440 V C -0.257 175.872 176.094 0.057 0.000 1.031 440 V CA -0.992 61.334 62.300 0.044 0.000 0.871 440 V CB 1.948 33.799 31.823 0.048 0.000 0.988 440 V HN 0.086 nan 8.190 nan 0.000 0.432 441 K N 3.534 123.968 120.400 0.057 0.000 2.276 441 K HA 0.385 4.706 4.320 0.001 0.000 0.283 441 K C 0.216 176.875 176.600 0.099 0.000 1.044 441 K CA -0.362 55.974 56.287 0.081 0.000 0.944 441 K CB 1.593 34.127 32.500 0.057 0.000 1.012 441 K HN 0.542 nan 8.250 nan 0.000 0.472 442 K N 1.370 121.872 120.400 0.169 0.000 2.348 442 K HA 0.131 4.452 4.320 0.001 0.000 0.194 442 K C -0.139 176.461 176.600 0.001 0.000 1.052 442 K CA 0.258 56.612 56.287 0.112 0.000 1.004 442 K CB 0.360 32.978 32.500 0.198 0.000 0.873 442 K HN 0.365 nan 8.250 nan 0.000 0.523 443 F N 2.946 122.882 119.950 -0.023 0.000 2.368 443 F HA 0.282 4.810 4.527 0.001 0.000 0.362 443 F C 0.465 176.287 175.800 0.036 0.000 1.137 443 F CA -0.981 56.995 58.000 -0.039 0.000 1.161 443 F CB 0.264 39.100 39.000 -0.273 0.000 1.265 443 F HN -0.066 nan 8.300 nan 0.000 0.530 444 I N -0.606 120.097 120.570 0.222 0.000 3.023 444 I HA 0.635 4.805 4.170 0.001 0.000 0.312 444 I C 1.007 177.248 176.117 0.206 0.000 1.056 444 I CA -1.230 60.169 61.300 0.165 0.000 1.033 444 I CB 1.608 39.640 38.000 0.053 0.000 1.233 444 I HN 0.245 nan 8.210 nan 0.000 0.462 445 R N 1.112 121.685 120.500 0.122 0.000 2.073 445 R HA 0.084 4.425 4.340 0.001 0.000 0.234 445 R C -0.109 176.157 176.300 -0.057 0.000 1.134 445 R CA 1.717 57.846 56.100 0.049 0.000 0.952 445 R CB 0.022 30.347 30.300 0.041 0.000 0.850 445 R HN 0.755 nan 8.270 nan 0.000 0.433 446 E N 0.029 120.223 120.200 -0.009 0.000 2.278 446 E HA 0.171 4.522 4.350 0.001 0.000 0.272 446 E C -0.959 175.644 176.600 0.005 0.000 0.890 446 E CA -0.527 55.882 56.400 0.015 0.000 0.770 446 E CB 1.793 31.520 29.700 0.046 0.000 1.212 446 E HN 0.109 nan 8.360 nan 0.000 0.415 447 L N 4.168 125.394 121.223 0.005 0.000 2.513 447 L HA 0.048 4.388 4.340 0.001 0.000 0.272 447 L C -1.063 175.805 176.870 -0.004 0.000 1.187 447 L CA -1.071 53.762 54.840 -0.012 0.000 0.895 447 L CB -0.010 42.046 42.059 -0.005 0.000 1.147 447 L HN 0.273 nan 8.230 nan 0.000 0.483 448 P HA -0.118 nan 4.420 nan 0.000 0.216 448 P C -0.296 177.000 177.300 -0.007 0.000 1.153 448 P CA 1.368 64.455 63.100 -0.023 0.000 0.858 448 P CB 0.321 31.991 31.700 -0.048 0.000 0.789 449 E N -1.238 118.953 120.200 -0.015 0.000 2.290 449 E HA 0.375 4.726 4.350 0.001 0.000 0.274 449 E C -0.760 175.934 176.600 0.158 0.000 0.889 449 E CA -0.621 55.824 56.400 0.075 0.000 0.760 449 E CB 2.007 31.747 29.700 0.065 0.000 1.206 449 E HN -0.058 nan 8.360 nan 0.000 0.419 450 I N 2.362 123.085 120.570 0.256 0.000 2.325 450 I HA 0.103 4.274 4.170 0.001 0.000 0.291 450 I C 0.989 177.370 176.117 0.440 0.000 1.019 450 I CA 0.156 61.613 61.300 0.262 0.000 1.302 450 I CB 1.235 39.328 38.000 0.156 0.000 1.401 450 I HN 0.602 nan 8.210 nan 0.000 0.485 451 T N 5.209 120.023 114.554 0.434 0.000 3.040 451 T HA 0.120 4.470 4.350 0.001 0.000 0.252 451 T C -0.089 175.019 174.700 0.680 0.000 1.064 451 T CA 0.501 62.927 62.100 0.544 0.000 1.110 451 T CB 0.098 69.169 68.868 0.339 0.000 0.921 451 T HN 0.432 nan 8.240 nan 0.000 0.480 452 F N 1.595 121.799 119.950 0.423 0.000 2.574 452 F HA 0.613 5.140 4.527 0.001 0.000 0.313 452 F C -0.876 175.048 175.800 0.207 0.000 1.130 452 F CA -1.203 57.019 58.000 0.371 0.000 0.936 452 F CB 1.826 41.138 39.000 0.519 0.000 1.219 452 F HN -0.154 nan 8.300 nan 0.000 0.445 453 S N 3.837 119.197 115.700 -0.567 0.000 2.442 453 S HA 0.468 4.939 4.470 0.001 0.000 0.297 453 S C 0.984 175.131 174.600 -0.755 0.000 1.131 453 S CA 0.085 58.005 58.200 -0.467 0.000 1.092 453 S CB 1.106 64.146 63.200 -0.266 0.000 0.998 453 S HN 1.081 nan 8.310 nan 0.000 0.478 454 G N 4.316 112.919 108.800 -0.329 0.000 2.418 454 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 454 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 454 G C 1.327 176.161 174.900 -0.110 0.000 1.158 454 G CA 0.768 45.802 45.100 -0.110 0.000 0.771 454 G HN 0.733 nan 8.290 nan 0.000 0.545 455 K N 0.061 120.391 120.400 -0.117 0.000 2.009 455 K HA -0.106 4.215 4.320 0.001 0.000 0.210 455 K C 2.452 178.987 176.600 -0.107 0.000 1.049 455 K CA 1.329 57.561 56.287 -0.092 0.000 0.929 455 K CB -0.244 32.194 32.500 -0.104 0.000 0.714 455 K HN 0.203 nan 8.250 nan 0.000 0.440 456 I N 1.382 121.856 120.570 -0.160 0.000 2.226 456 I HA -0.219 3.952 4.170 0.001 0.000 0.245 456 I C 2.603 178.650 176.117 -0.116 0.000 1.100 456 I CA 1.442 62.658 61.300 -0.140 0.000 1.374 456 I CB -1.616 36.289 38.000 -0.157 0.000 1.057 456 I HN 0.240 nan 8.210 nan 0.000 0.413 457 A N 0.881 123.602 122.820 -0.165 0.000 1.940 457 A HA -0.171 4.149 4.320 0.001 0.000 0.219 457 A C 2.424 180.017 177.584 0.014 0.000 1.176 457 A CA 1.394 53.414 52.037 -0.029 0.000 0.631 457 A CB -0.798 18.264 19.000 0.104 0.000 0.814 457 A HN 0.410 nan 8.150 nan 0.000 0.446 458 L N -0.966 120.258 121.223 0.002 0.000 2.109 458 L HA -0.158 4.183 4.340 0.001 0.000 0.207 458 L C 2.551 179.419 176.870 -0.005 0.000 1.086 458 L CA 1.372 56.221 54.840 0.015 0.000 0.760 458 L CB -0.506 41.565 42.059 0.020 0.000 0.910 458 L HN 0.457 nan 8.230 nan 0.000 0.437 459 E N 0.050 120.235 120.200 -0.025 0.000 2.153 459 E HA -0.210 4.141 4.350 0.001 0.000 0.194 459 E C 2.052 178.637 176.600 -0.024 0.000 0.988 459 E CA 0.934 57.316 56.400 -0.030 0.000 0.811 459 E CB 0.004 29.675 29.700 -0.047 0.000 0.746 459 E HN 0.404 nan 8.360 nan 0.000 0.466 460 R N -0.455 120.032 120.500 -0.021 0.000 2.313 460 R HA 0.058 4.398 4.340 0.001 0.000 0.199 460 R C 0.878 177.175 176.300 -0.004 0.000 0.958 460 R CA 0.449 56.541 56.100 -0.014 0.000 1.047 460 R CB 0.409 30.701 30.300 -0.012 0.000 0.955 460 R HN 0.195 nan 8.270 nan 0.000 0.481 461 G N 1.650 110.450 108.800 0.000 0.000 2.246 461 G HA2 -0.268 3.693 3.960 0.001 0.000 0.273 461 G HA3 -0.268 3.693 3.960 0.001 0.000 0.273 461 G C -0.022 174.881 174.900 0.005 0.000 1.055 461 G CA -0.025 45.077 45.100 0.003 0.000 0.851 461 G HN 0.166 nan 8.290 nan 0.000 0.500 462 L N -0.453 120.779 121.223 0.017 0.000 2.379 462 L HA 0.549 4.890 4.340 0.001 0.000 0.269 462 L C 0.279 177.160 176.870 0.017 0.000 1.084 462 L CA -1.009 53.839 54.840 0.013 0.000 0.802 462 L CB 0.973 43.051 42.059 0.032 0.000 1.175 462 L HN 0.095 nan 8.230 nan 0.000 0.448 463 D N 1.497 121.887 120.400 -0.016 0.000 2.313 463 D HA 0.371 5.011 4.640 0.001 0.000 0.239 463 D C -1.030 175.240 176.300 -0.049 0.000 1.142 463 D CA -0.151 53.837 54.000 -0.020 0.000 0.847 463 D CB 1.398 42.175 40.800 -0.037 0.000 1.082 463 D HN 0.090 nan 8.370 nan 0.000 0.480 464 V N 4.842 124.751 119.914 -0.008 0.000 2.409 464 V HA 0.500 4.620 4.120 0.001 0.000 0.291 464 V C 0.202 176.227 176.094 -0.114 0.000 1.020 464 V CA -0.850 61.407 62.300 -0.073 0.000 0.848 464 V CB 1.563 33.447 31.823 0.103 0.000 0.990 464 V HN 0.418 nan 8.190 nan 0.000 0.430 465 R N 3.150 123.496 120.500 -0.256 0.000 2.711 465 R HA 0.660 5.001 4.340 0.001 0.000 0.284 465 R C -1.876 174.267 176.300 -0.263 0.000 0.968 465 R CA -0.586 55.442 56.100 -0.120 0.000 0.924 465 R CB 1.589 31.876 30.300 -0.021 0.000 1.162 465 R HN 0.621 nan 8.270 nan 0.000 0.465 466 Y N 3.880 124.378 120.300 0.330 0.000 2.426 466 Y HA 0.444 4.995 4.550 0.001 0.000 0.325 466 Y C -0.375 175.792 175.900 0.445 0.000 0.989 466 Y CA -0.645 57.693 58.100 0.397 0.000 1.284 466 Y CB 1.095 39.760 38.460 0.341 0.000 1.104 466 Y HN 0.290 nan 8.280 nan 0.000 0.481 467 I N 4.043 124.910 120.570 0.494 0.000 2.315 467 I HA 0.382 4.552 4.170 0.001 0.000 0.291 467 I C 0.397 176.775 176.117 0.435 0.000 1.006 467 I CA -0.308 61.211 61.300 0.365 0.000 1.265 467 I CB 1.380 39.503 38.000 0.205 0.000 1.387 467 I HN 0.641 nan 8.210 nan 0.000 0.475 468 T N 1.315 116.087 114.554 0.364 0.000 2.883 468 T HA 0.249 4.599 4.350 0.001 0.000 0.284 468 T C 0.899 175.693 174.700 0.157 0.000 1.041 468 T CA -0.662 61.625 62.100 0.311 0.000 1.007 468 T CB 1.716 70.815 68.868 0.386 0.000 1.220 468 T HN 0.633 nan 8.240 nan 0.000 0.552 469 E N 0.769 121.043 120.200 0.123 0.000 2.347 469 E HA -0.146 4.204 4.350 0.001 0.000 0.196 469 E C 1.453 178.132 176.600 0.131 0.000 1.008 469 E CA 0.896 57.345 56.400 0.082 0.000 0.852 469 E CB -0.144 29.596 29.700 0.067 0.000 0.783 469 E HN 0.879 nan 8.360 nan 0.000 0.505 470 R N -0.170 120.400 120.500 0.115 0.000 2.521 470 R HA 0.585 4.925 4.340 0.001 0.000 0.289 470 R C 0.118 176.434 176.300 0.027 0.000 0.936 470 R CA 0.300 56.451 56.100 0.086 0.000 1.089 470 R CB 0.792 31.121 30.300 0.049 0.000 1.348 470 R HN 0.082 nan 8.270 nan 0.000 0.536 471 A N 0.611 123.442 122.820 0.019 0.000 2.577 471 A HA 0.558 4.878 4.320 0.001 0.000 0.297 471 A C -1.534 175.995 177.584 -0.091 0.000 1.060 471 A CA -0.605 51.353 52.037 -0.131 0.000 0.697 471 A CB 2.078 20.905 19.000 -0.289 0.000 1.281 471 A HN -0.002 nan 8.150 nan 0.000 0.402 472 V N 1.600 121.394 119.914 -0.200 0.000 2.555 472 V HA 0.738 4.859 4.120 0.001 0.000 0.302 472 V C -0.900 175.069 176.094 -0.209 0.000 1.038 472 V CA -0.356 61.924 62.300 -0.035 0.000 0.887 472 V CB 1.278 33.130 31.823 0.049 0.000 0.991 472 V HN 0.731 nan 8.190 nan 0.000 0.434 473 F N 0.870 120.967 119.950 0.244 0.000 2.579 473 F HA 0.730 5.257 4.527 0.001 0.000 0.324 473 F C 0.451 176.466 175.800 0.357 0.000 1.058 473 F CA -0.631 57.542 58.000 0.289 0.000 0.944 473 F CB 2.465 41.654 39.000 0.315 0.000 1.245 473 F HN 0.309 nan 8.300 nan 0.000 0.477 474 T N 2.670 117.527 114.554 0.505 0.000 2.861 474 T HA 0.411 4.761 4.350 0.001 0.000 0.287 474 T C -1.198 173.731 174.700 0.382 0.000 1.003 474 T CA -0.516 61.803 62.100 0.365 0.000 0.977 474 T CB 1.623 70.602 68.868 0.185 0.000 0.996 474 T HN 0.376 nan 8.240 nan 0.000 0.448 475 L N 4.403 125.858 121.223 0.386 0.000 2.367 475 L HA 0.455 4.796 4.340 0.001 0.000 0.275 475 L C -0.173 176.784 176.870 0.145 0.000 1.129 475 L CA 0.663 55.704 54.840 0.334 0.000 0.839 475 L CB -0.194 42.105 42.059 0.400 0.000 1.133 475 L HN 0.447 nan 8.230 nan 0.000 0.453 476 K N 3.347 123.808 120.400 0.102 0.000 2.439 476 K HA 0.309 4.630 4.320 0.001 0.000 0.260 476 K C 0.576 177.219 176.600 0.071 0.000 1.032 476 K CA -0.837 55.454 56.287 0.006 0.000 0.882 476 K CB 1.001 33.361 32.500 -0.232 0.000 1.420 476 K HN 0.382 nan 8.250 nan 0.000 0.455 477 E N 1.359 121.591 120.200 0.053 0.000 2.171 477 E HA -0.201 4.150 4.350 0.001 0.000 0.197 477 E C 0.727 177.378 176.600 0.085 0.000 0.997 477 E CA 1.737 58.174 56.400 0.061 0.000 0.810 477 E CB 0.005 29.733 29.700 0.047 0.000 0.738 477 E HN 0.567 nan 8.360 nan 0.000 0.467 478 D N -1.045 119.434 120.400 0.132 0.000 2.340 478 D HA 0.217 4.857 4.640 0.001 0.000 0.217 478 D C 1.048 177.424 176.300 0.127 0.000 1.081 478 D CA 0.582 54.658 54.000 0.128 0.000 0.842 478 D CB 0.393 41.278 40.800 0.141 0.000 0.934 478 D HN 0.141 nan 8.370 nan 0.000 0.511 479 G N -0.092 108.797 108.800 0.148 0.000 2.396 479 G HA2 -0.067 3.893 3.960 0.001 0.000 0.254 479 G HA3 -0.067 3.893 3.960 0.001 0.000 0.254 479 G C -1.358 173.689 174.900 0.244 0.000 1.248 479 G CA -0.754 44.411 45.100 0.108 0.000 1.033 479 G HN 0.177 nan 8.290 nan 0.000 0.502 480 L N 1.827 123.163 121.223 0.188 0.000 2.455 480 L HA 0.352 4.692 4.340 0.001 0.000 0.272 480 L C 0.878 178.039 176.870 0.485 0.000 1.174 480 L CA 0.418 55.450 54.840 0.319 0.000 0.869 480 L CB 0.366 42.515 42.059 0.151 0.000 1.130 480 L HN 0.527 nan 8.230 nan 0.000 0.474 481 H N 4.027 123.289 119.070 0.320 0.000 2.519 481 H HA 0.230 4.786 4.556 0.001 0.000 0.316 481 H C -0.512 174.985 175.328 0.280 0.000 1.065 481 H CA -1.185 55.017 56.048 0.257 0.000 1.264 481 H CB 1.748 31.611 29.762 0.168 0.000 1.413 481 H HN 0.368 nan 8.280 nan 0.000 0.465 482 L N 5.932 127.295 121.223 0.234 0.000 2.456 482 L HA 0.060 4.401 4.340 0.001 0.000 0.277 482 L C 0.813 177.636 176.870 -0.079 0.000 1.124 482 L CA 0.390 55.132 54.840 -0.162 0.000 0.880 482 L CB -0.187 41.714 42.059 -0.263 0.000 1.192 482 L HN 0.660 nan 8.230 nan 0.000 0.463 483 I N 0.184 120.699 120.570 -0.091 0.000 4.139 483 I HA 0.432 4.603 4.170 0.001 0.000 0.320 483 I C -0.016 176.084 176.117 -0.029 0.000 1.290 483 I CA -0.103 61.196 61.300 -0.001 0.000 1.253 483 I CB 0.177 38.218 38.000 0.068 0.000 1.122 483 I HN 0.494 nan 8.210 nan 0.000 0.421 484 E N 1.697 121.844 120.200 -0.088 0.000 2.356 484 E HA 0.632 4.982 4.350 0.001 0.000 0.275 484 E C -1.469 175.068 176.600 -0.104 0.000 0.904 484 E CA -0.729 55.641 56.400 -0.050 0.000 0.757 484 E CB 3.455 33.162 29.700 0.011 0.000 1.232 484 E HN 0.219 nan 8.360 nan 0.000 0.442 485 I N 1.046 121.579 120.570 -0.060 0.000 2.582 485 I HA 0.610 4.781 4.170 0.001 0.000 0.292 485 I C -0.958 175.142 176.117 -0.028 0.000 1.066 485 I CA -0.706 60.552 61.300 -0.071 0.000 1.053 485 I CB 1.372 39.318 38.000 -0.090 0.000 1.241 485 I HN 0.733 nan 8.210 nan 0.000 0.421 486 A N 7.919 130.733 122.820 -0.009 0.000 2.462 486 A HA 0.504 4.825 4.320 0.001 0.000 0.243 486 A C -2.517 174.930 177.584 -0.228 0.000 1.076 486 A CA -1.014 50.991 52.037 -0.053 0.000 0.773 486 A CB -0.567 18.471 19.000 0.063 0.000 1.010 486 A HN 0.504 nan 8.150 nan 0.000 0.493 487 P HA 0.282 nan 4.420 nan 0.000 0.266 487 P C 0.960 178.065 177.300 -0.325 0.000 1.195 487 P CA 1.743 64.618 63.100 -0.376 0.000 0.768 487 P CB 0.687 32.092 31.700 -0.491 0.000 0.838 488 G N 0.528 109.214 108.800 -0.191 0.000 2.175 488 G HA2 -0.156 3.805 3.960 0.001 0.000 0.244 488 G HA3 -0.156 3.805 3.960 0.001 0.000 0.244 488 G C -0.136 174.708 174.900 -0.093 0.000 0.982 488 G CA -0.230 44.791 45.100 -0.133 0.000 0.641 488 G HN 0.565 nan 8.290 nan 0.000 0.527 489 V N 0.388 120.246 119.914 -0.094 0.000 2.823 489 V HA 0.647 4.768 4.120 0.001 0.000 0.312 489 V C -0.732 175.324 176.094 -0.062 0.000 1.072 489 V CA -0.363 61.897 62.300 -0.067 0.000 0.937 489 V CB 2.087 33.874 31.823 -0.059 0.000 1.013 489 V HN 0.349 nan 8.190 nan 0.000 0.430 490 D N 2.542 122.912 120.400 -0.051 0.000 2.303 490 D HA 0.333 4.974 4.640 0.001 0.000 0.236 490 D C 0.745 177.014 176.300 -0.051 0.000 1.068 490 D CA -0.536 53.435 54.000 -0.048 0.000 0.830 490 D CB 1.626 42.402 40.800 -0.040 0.000 1.109 490 D HN 0.313 nan 8.370 nan 0.000 0.496 491 L N 4.170 125.359 121.223 -0.055 0.000 1.965 491 L HA -0.245 4.096 4.340 0.001 0.000 0.226 491 L C 2.048 178.884 176.870 -0.057 0.000 1.083 491 L CA 2.204 57.007 54.840 -0.061 0.000 0.790 491 L CB -1.061 40.963 42.059 -0.057 0.000 0.898 491 L HN 0.688 nan 8.230 nan 0.000 0.439 492 Q N -0.389 119.382 119.800 -0.047 0.000 2.061 492 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 492 Q C 2.264 178.238 176.000 -0.044 0.000 0.984 492 Q CA 2.358 58.134 55.803 -0.044 0.000 0.846 492 Q CB -0.152 28.564 28.738 -0.036 0.000 0.902 492 Q HN 0.596 nan 8.270 nan 0.000 0.421 493 K N -0.666 119.710 120.400 -0.040 0.000 2.137 493 K HA -0.014 4.306 4.320 0.001 0.000 0.202 493 K C 1.235 177.813 176.600 -0.037 0.000 1.052 493 K CA 1.165 57.431 56.287 -0.035 0.000 0.961 493 K CB 0.284 32.767 32.500 -0.029 0.000 0.741 493 K HN 0.216 nan 8.250 nan 0.000 0.452 494 D N -0.244 120.132 120.400 -0.041 0.000 2.366 494 D HA 0.105 4.745 4.640 0.001 0.000 0.205 494 D C 1.540 177.810 176.300 -0.050 0.000 1.022 494 D CA 0.693 54.671 54.000 -0.038 0.000 0.868 494 D CB 0.591 41.371 40.800 -0.033 0.000 0.953 494 D HN 0.153 nan 8.370 nan 0.000 0.514 495 I N -0.376 120.155 120.570 -0.067 0.000 3.632 495 I HA 0.007 4.178 4.170 0.001 0.000 0.246 495 I C 2.121 178.169 176.117 -0.114 0.000 1.125 495 I CA -0.014 61.231 61.300 -0.090 0.000 1.519 495 I CB 0.244 38.190 38.000 -0.091 0.000 1.555 495 I HN -0.203 nan 8.210 nan 0.000 0.452 496 L N 0.964 122.129 121.223 -0.097 0.000 2.046 496 L HA -0.210 4.130 4.340 0.001 0.000 0.208 496 L C 1.800 178.608 176.870 -0.103 0.000 1.077 496 L CA 1.381 56.157 54.840 -0.107 0.000 0.747 496 L CB -0.736 41.277 42.059 -0.077 0.000 0.896 496 L HN 0.293 nan 8.230 nan 0.000 0.432 497 D N -0.071 120.285 120.400 -0.074 0.000 2.310 497 D HA -0.102 4.538 4.640 0.001 0.000 0.212 497 D C 1.696 177.960 176.300 -0.060 0.000 0.965 497 D CA 0.924 54.890 54.000 -0.058 0.000 0.879 497 D CB 0.014 40.790 40.800 -0.041 0.000 0.921 497 D HN 0.194 nan 8.370 nan 0.000 0.510 498 K N -0.324 120.030 120.400 -0.077 0.000 2.372 498 K HA 0.242 4.562 4.320 0.001 0.000 0.200 498 K C 0.383 176.928 176.600 -0.092 0.000 1.022 498 K CA -0.014 56.235 56.287 -0.063 0.000 1.125 498 K CB 0.733 33.207 32.500 -0.043 0.000 0.855 498 K HN 0.223 nan 8.250 nan 0.000 0.524 499 M N 0.205 119.707 119.600 -0.164 0.000 2.465 499 M HA 0.230 4.711 4.480 0.001 0.000 0.316 499 M C -0.317 175.867 176.300 -0.192 0.000 1.121 499 M CA -0.551 54.596 55.300 -0.256 0.000 0.934 499 M CB 1.919 34.172 32.600 -0.577 0.000 1.692 499 M HN -0.243 nan 8.290 nan 0.000 0.444 500 D N 2.066 122.404 120.400 -0.104 0.000 2.395 500 D HA 0.239 4.880 4.640 0.001 0.000 0.226 500 D C -0.974 175.381 176.300 0.091 0.000 1.146 500 D CA 0.578 54.579 54.000 0.001 0.000 0.830 500 D CB -0.152 40.680 40.800 0.053 0.000 0.958 500 D HN 0.388 nan 8.370 nan 0.000 0.501 501 F N -2.525 117.402 119.950 -0.039 0.000 2.662 501 F HA 0.543 5.071 4.527 0.001 0.000 0.312 501 F C -0.505 175.262 175.800 -0.054 0.000 1.113 501 F CA -1.219 56.744 58.000 -0.061 0.000 0.951 501 F CB 0.813 39.752 39.000 -0.101 0.000 1.344 501 F HN -0.455 nan 8.300 nan 0.000 0.462 502 T N 3.894 118.564 114.554 0.193 0.000 2.733 502 T HA 0.451 4.802 4.350 0.001 0.000 0.294 502 T C -2.436 172.391 174.700 0.213 0.000 0.956 502 T CA -0.877 61.276 62.100 0.088 0.000 0.987 502 T CB 0.694 69.597 68.868 0.057 0.000 0.920 502 T HN 0.459 nan 8.240 nan 0.000 0.470 503 P HA 0.361 nan 4.420 nan 0.000 0.278 503 P C -0.625 176.725 177.300 0.083 0.000 1.258 503 P CA -0.584 62.644 63.100 0.213 0.000 0.811 503 P CB 0.749 32.611 31.700 0.270 0.000 1.063 504 V N 2.739 122.658 119.914 0.008 0.000 2.508 504 V HA 0.063 4.183 4.120 0.001 0.000 0.281 504 V C 0.800 176.813 176.094 -0.135 0.000 1.041 504 V CA -0.344 61.844 62.300 -0.186 0.000 1.016 504 V CB 0.052 31.499 31.823 -0.626 0.000 0.984 504 V HN 0.333 nan 8.190 nan 0.000 0.478 505 I N 3.939 124.452 120.570 -0.094 0.000 2.352 505 I HA 0.148 4.319 4.170 0.001 0.000 0.290 505 I C 0.839 176.923 176.117 -0.054 0.000 1.036 505 I CA 0.525 61.791 61.300 -0.055 0.000 1.336 505 I CB 0.911 38.887 38.000 -0.041 0.000 1.407 505 I HN 0.654 nan 8.210 nan 0.000 0.497 506 S N 9.072 124.772 115.700 -0.001 0.000 2.537 506 S HA 0.158 4.629 4.470 0.001 0.000 0.286 506 S C -0.916 173.704 174.600 0.034 0.000 1.299 506 S CA -0.945 57.293 58.200 0.063 0.000 1.067 506 S CB 0.619 63.887 63.200 0.114 0.000 0.864 506 S HN 0.449 nan 8.310 nan 0.000 0.494 507 P HA -0.088 nan 4.420 nan 0.000 0.219 507 P C 0.436 177.754 177.300 0.030 0.000 1.146 507 P CA 1.019 64.136 63.100 0.029 0.000 0.808 507 P CB 0.136 31.858 31.700 0.036 0.000 0.779 508 E N -0.471 119.755 120.200 0.044 0.000 2.403 508 E HA 0.079 4.430 4.350 0.001 0.000 0.188 508 E C 0.670 177.288 176.600 0.031 0.000 1.056 508 E CA -0.693 55.730 56.400 0.039 0.000 0.892 508 E CB -0.554 29.175 29.700 0.048 0.000 1.049 508 E HN 0.207 nan 8.360 nan 0.000 0.465 509 L N 2.468 123.703 121.223 0.020 0.000 2.573 509 L HA -0.088 4.253 4.340 0.001 0.000 0.290 509 L C 0.248 177.120 176.870 0.003 0.000 1.247 509 L CA 0.942 55.783 54.840 0.002 0.000 0.876 509 L CB 0.207 42.256 42.059 -0.018 0.000 1.123 509 L HN 0.033 nan 8.230 nan 0.000 0.505 510 K N 3.744 124.144 120.400 0.002 0.000 2.533 510 K HA 0.566 4.887 4.320 0.001 0.000 0.272 510 K C -1.404 175.200 176.600 0.007 0.000 0.985 510 K CA -1.060 55.233 56.287 0.010 0.000 0.876 510 K CB 0.790 33.308 32.500 0.030 0.000 1.452 510 K HN 0.488 nan 8.250 nan 0.000 0.439 511 L N 2.146 123.375 121.223 0.011 0.000 2.426 511 L HA 0.219 4.560 4.340 0.001 0.000 0.271 511 L C 0.420 177.331 176.870 0.069 0.000 1.169 511 L CA -0.418 54.429 54.840 0.012 0.000 0.836 511 L CB 0.400 42.453 42.059 -0.011 0.000 1.112 511 L HN 0.575 nan 8.230 nan 0.000 0.465 512 M N 2.557 122.223 119.600 0.109 0.000 2.252 512 M HA -0.033 4.447 4.480 0.001 0.000 0.348 512 M C 0.433 176.909 176.300 0.293 0.000 1.334 512 M CA 0.076 55.505 55.300 0.215 0.000 1.071 512 M CB -0.059 32.736 32.600 0.326 0.000 1.763 512 M HN 0.477 nan 8.290 nan 0.000 0.452 513 D N 3.541 124.104 120.400 0.271 0.000 2.982 513 D HA -0.157 4.483 4.640 0.001 0.000 0.222 513 D C 0.955 177.459 176.300 0.341 0.000 1.124 513 D CA 0.691 54.868 54.000 0.296 0.000 0.810 513 D CB 0.514 41.577 40.800 0.440 0.000 1.152 513 D HN 0.712 nan 8.370 nan 0.000 0.538 514 E N 3.939 124.298 120.200 0.264 0.000 2.114 514 E HA -0.274 4.076 4.350 0.001 0.000 0.199 514 E C 1.727 178.499 176.600 0.288 0.000 1.008 514 E CA 1.117 57.673 56.400 0.261 0.000 0.810 514 E CB 0.206 29.989 29.700 0.139 0.000 0.739 514 E HN 0.512 nan 8.360 nan 0.000 0.456 515 R N 0.048 120.680 120.500 0.219 0.000 2.127 515 R HA -0.155 4.186 4.340 0.001 0.000 0.238 515 R C 2.609 178.967 176.300 0.097 0.000 1.134 515 R CA 1.228 57.431 56.100 0.170 0.000 0.975 515 R CB -0.453 29.967 30.300 0.201 0.000 0.865 515 R HN 0.264 nan 8.270 nan 0.000 0.447 516 L N -0.399 120.830 121.223 0.010 0.000 2.129 516 L HA -0.182 4.159 4.340 0.001 0.000 0.212 516 L C 1.460 178.091 176.870 -0.399 0.000 1.087 516 L CA 1.326 55.967 54.840 -0.331 0.000 0.757 516 L CB -0.255 41.394 42.059 -0.683 0.000 0.896 516 L HN 0.132 nan 8.230 nan 0.000 0.434 517 F N -0.968 118.974 119.950 -0.014 0.000 2.693 517 F HA 0.267 4.795 4.527 0.001 0.000 0.303 517 F C 0.645 176.444 175.800 -0.002 0.000 1.097 517 F CA -0.235 57.757 58.000 -0.013 0.000 1.330 517 F CB 0.128 39.122 39.000 -0.010 0.000 1.067 517 F HN -0.128 nan 8.300 nan 0.000 0.565 518 I N 0.004 120.647 120.570 0.123 0.000 2.441 518 I HA 0.136 4.306 4.170 0.001 0.000 0.295 518 I C 0.167 176.312 176.117 0.046 0.000 0.994 518 I CA -0.517 60.836 61.300 0.088 0.000 1.144 518 I CB 1.192 39.245 38.000 0.088 0.000 1.314 518 I HN -0.244 nan 8.210 nan 0.000 0.445 519 D N 6.033 126.456 120.400 0.039 0.000 3.032 519 D HA 0.443 5.084 4.640 0.001 0.000 0.241 519 D C -0.493 175.820 176.300 0.023 0.000 1.196 519 D CA 0.271 54.285 54.000 0.023 0.000 0.927 519 D CB -0.047 40.766 40.800 0.021 0.000 1.129 519 D HN 0.570 nan 8.370 nan 0.000 0.458 520 A N -0.148 122.688 122.820 0.027 0.000 2.609 520 A HA 0.746 5.066 4.320 0.001 0.000 0.291 520 A C -0.576 177.030 177.584 0.036 0.000 1.096 520 A CA -0.452 51.603 52.037 0.030 0.000 0.684 520 A CB 0.874 19.894 19.000 0.034 0.000 1.282 520 A HN 0.237 nan 8.150 nan 0.000 0.412 521 A N 0.612 123.455 122.820 0.039 0.000 2.540 521 A HA 0.407 4.728 4.320 0.001 0.000 0.239 521 A C 0.947 178.575 177.584 0.074 0.000 1.061 521 A CA 0.477 52.546 52.037 0.054 0.000 0.758 521 A CB -0.431 18.601 19.000 0.052 0.000 0.991 521 A HN 0.864 nan 8.150 nan 0.000 0.502 522 M N 2.086 121.748 119.600 0.104 0.000 2.419 522 M HA 0.085 4.566 4.480 0.001 0.000 0.264 522 M C 1.605 177.992 176.300 0.144 0.000 1.082 522 M CA 1.284 56.669 55.300 0.141 0.000 1.119 522 M CB -0.060 32.664 32.600 0.206 0.000 1.398 522 M HN 1.300 nan 8.290 nan 0.000 0.453 523 G N 1.596 110.475 108.800 0.132 0.000 2.221 523 G HA2 -0.291 3.670 3.960 0.001 0.000 0.265 523 G HA3 -0.291 3.670 3.960 0.001 0.000 0.265 523 G C -0.107 174.863 174.900 0.116 0.000 1.041 523 G CA -0.290 44.869 45.100 0.098 0.000 0.807 523 G HN 0.475 nan 8.290 nan 0.000 0.502 524 F N 1.152 121.120 119.950 0.030 0.000 2.538 524 F HA 0.469 4.996 4.527 0.001 0.000 0.371 524 F C 0.695 176.483 175.800 -0.020 0.000 1.087 524 F CA -0.213 57.783 58.000 -0.007 0.000 1.250 524 F CB 1.015 40.057 39.000 0.069 0.000 1.110 524 F HN 0.601 nan 8.300 nan 0.000 0.570 525 V N 6.828 126.266 119.914 -0.793 0.000 2.409 525 V HA 0.487 4.608 4.120 0.001 0.000 0.291 525 V C -0.848 174.622 176.094 -1.040 0.000 1.020 525 V CA -1.160 60.725 62.300 -0.691 0.000 0.848 525 V CB 1.222 32.848 31.823 -0.328 0.000 0.990 525 V HN 0.816 nan 8.190 nan 0.000 0.430 526 L N 8.379 129.168 121.223 -0.723 0.000 2.418 526 L HA 0.540 4.880 4.340 0.001 0.000 0.274 526 L C -1.976 174.738 176.870 -0.259 0.000 1.135 526 L CA -0.821 53.740 54.840 -0.466 0.000 0.870 526 L CB 0.274 42.281 42.059 -0.086 0.000 1.154 526 L HN 0.643 nan 8.230 nan 0.000 0.462 527 P HA 0.200 nan 4.420 nan 0.000 0.275 527 P C -1.304 175.967 177.300 -0.049 0.000 1.228 527 P CA -0.388 62.647 63.100 -0.109 0.000 0.786 527 P CB 0.574 32.228 31.700 -0.077 0.000 0.927 528 E N 1.369 121.546 120.200 -0.037 0.000 2.145 528 E HA 0.535 4.885 4.350 0.001 0.000 0.270 528 E C -0.403 176.190 176.600 -0.011 0.000 0.906 528 E CA -0.893 55.500 56.400 -0.013 0.000 0.761 528 E CB 1.013 30.707 29.700 -0.009 0.000 1.116 528 E HN 0.521 nan 8.360 nan 0.000 0.408 529 A N 0.000 122.819 122.820 -0.002 0.000 2.254 529 A HA 0.000 4.321 4.320 0.001 0.000 0.244 529 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 529 A CB 0.000 19.000 19.000 0.001 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486