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 2ahv_1_C 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 0.000 176.212 176.094 0.196 0.000 1.182 4 V CA 0.000 62.379 62.300 0.131 0.000 1.235 4 V CB 0.000 31.900 31.823 0.128 0.000 1.184 5 K N 3.671 124.122 120.400 0.084 0.000 2.118 5 K HA 0.828 5.148 4.320 -0.000 0.000 0.254 5 K C -2.636 173.942 176.600 -0.037 0.000 0.961 5 K CA -1.645 54.616 56.287 -0.044 0.000 0.876 5 K CB 1.733 34.195 32.500 -0.063 0.000 1.077 5 K HN 0.569 nan 8.250 nan 0.000 0.440 6 P HA 0.122 nan 4.420 nan 0.000 0.268 6 P C -2.391 174.893 177.300 -0.026 0.000 1.205 6 P CA -0.970 62.098 63.100 -0.053 0.000 0.771 6 P CB -0.244 31.380 31.700 -0.127 0.000 0.858 7 P HA 0.175 nan 4.420 nan 0.000 0.271 7 P C -0.259 177.047 177.300 0.010 0.000 1.218 7 P CA -0.096 63.013 63.100 0.015 0.000 0.780 7 P CB 0.779 32.495 31.700 0.026 0.000 0.901 8 R N 2.519 123.028 120.500 0.015 0.000 2.419 8 R HA 0.246 4.586 4.340 -0.000 0.000 0.305 8 R C 0.115 176.428 176.300 0.022 0.000 1.242 8 R CA -0.680 55.431 56.100 0.018 0.000 1.105 8 R CB -0.148 30.170 30.300 0.029 0.000 1.116 8 R HN 0.408 nan 8.270 nan 0.000 0.523 9 I N 3.968 124.550 120.570 0.019 0.000 2.581 9 I HA -0.113 4.057 4.170 -0.000 0.000 0.285 9 I C 0.567 176.697 176.117 0.021 0.000 1.129 9 I CA 0.211 61.523 61.300 0.020 0.000 1.397 9 I CB -0.380 37.631 38.000 0.018 0.000 1.399 9 I HN 0.691 nan 8.210 nan 0.000 0.537 10 N N 5.316 124.029 118.700 0.022 0.000 2.725 10 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 10 N C 1.135 176.662 175.510 0.029 0.000 1.103 10 N CA 1.142 54.205 53.050 0.022 0.000 0.707 10 N CB -1.199 37.299 38.487 0.018 0.000 1.043 10 N HN 1.086 nan 8.380 nan 0.000 0.553 11 G N -0.909 107.911 108.800 0.034 0.000 2.179 11 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 11 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 11 G C 0.152 175.084 174.900 0.052 0.000 0.977 11 G CA 0.581 45.709 45.100 0.048 0.000 0.641 11 G HN 0.551 nan 8.290 nan 0.000 0.533 12 R N 0.106 120.629 120.500 0.038 0.000 2.389 12 R HA 0.447 4.787 4.340 -0.000 0.000 0.295 12 R C 0.512 176.828 176.300 0.026 0.000 1.075 12 R CA -0.280 55.841 56.100 0.034 0.000 1.005 12 R CB 1.838 32.153 30.300 0.024 0.000 0.987 12 R HN 0.189 nan 8.270 nan 0.000 0.452 13 V N 5.907 125.835 119.914 0.023 0.000 2.585 13 V HA 0.074 4.194 4.120 -0.000 0.000 0.296 13 V C -1.972 174.118 176.094 -0.006 0.000 1.035 13 V CA -1.606 60.697 62.300 0.003 0.000 1.084 13 V CB 0.790 32.609 31.823 -0.008 0.000 0.953 13 V HN 0.625 nan 8.190 nan 0.000 0.483 14 P HA 0.100 nan 4.420 nan 0.000 0.263 14 P C -0.991 176.293 177.300 -0.026 0.000 1.195 14 P CA 0.253 63.338 63.100 -0.025 0.000 0.762 14 P CB 0.435 32.102 31.700 -0.056 0.000 0.799 15 V N 5.682 125.589 119.914 -0.012 0.000 2.398 15 V HA 0.437 4.557 4.120 -0.000 0.000 0.286 15 V C 0.330 176.423 176.094 -0.002 0.000 1.026 15 V CA -0.285 62.008 62.300 -0.011 0.000 0.868 15 V CB 1.027 32.846 31.823 -0.006 0.000 0.982 15 V HN 0.393 nan 8.190 nan 0.000 0.443 16 L N 3.057 124.278 121.223 -0.002 0.000 2.359 16 L HA 0.610 4.950 4.340 -0.000 0.000 0.256 16 L C 0.346 177.222 176.870 0.009 0.000 1.026 16 L CA -0.659 54.192 54.840 0.017 0.000 0.828 16 L CB 2.719 44.802 42.059 0.039 0.000 1.406 16 L HN 0.727 nan 8.230 nan 0.000 0.413 17 S N 0.167 115.877 115.700 0.017 0.000 2.593 17 S HA 0.301 4.771 4.470 -0.000 0.000 0.269 17 S C 1.068 175.670 174.600 0.004 0.000 1.334 17 S CA 0.033 58.236 58.200 0.006 0.000 1.015 17 S CB 1.499 64.706 63.200 0.011 0.000 0.912 17 S HN 0.742 nan 8.310 nan 0.000 0.541 18 A N 1.477 124.285 122.820 -0.021 0.000 1.908 18 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 18 A C 2.248 179.828 177.584 -0.006 0.000 1.181 18 A CA 1.941 53.951 52.037 -0.044 0.000 0.627 18 A CB -1.207 17.747 19.000 -0.075 0.000 0.818 18 A HN 0.849 nan 8.150 nan 0.000 0.445 19 Q N -0.012 119.793 119.800 0.009 0.000 2.030 19 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 19 Q C 1.925 177.956 176.000 0.051 0.000 0.986 19 Q CA 2.101 57.920 55.803 0.027 0.000 0.843 19 Q CB -0.389 28.360 28.738 0.019 0.000 0.904 19 Q HN 0.816 nan 8.270 nan 0.000 0.420 20 E N 0.070 120.307 120.200 0.061 0.000 2.077 20 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 20 E C 1.932 178.652 176.600 0.200 0.000 0.989 20 E CA 0.938 57.401 56.400 0.105 0.000 0.800 20 E CB -0.232 29.532 29.700 0.107 0.000 0.746 20 E HN 0.394 nan 8.360 nan 0.000 0.452 21 A N 1.260 124.178 122.820 0.162 0.000 1.902 21 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 21 A C 2.535 180.280 177.584 0.268 0.000 1.181 21 A CA 1.718 53.875 52.037 0.200 0.000 0.623 21 A CB -0.888 18.151 19.000 0.065 0.000 0.818 21 A HN 0.249 nan 8.150 nan 0.000 0.443 22 V N -2.103 117.919 119.914 0.179 0.000 3.141 22 V HA -0.106 4.014 4.120 -0.000 0.000 0.265 22 V C 1.503 177.700 176.094 0.172 0.000 1.126 22 V CA 1.913 64.337 62.300 0.206 0.000 1.141 22 V CB -1.113 30.812 31.823 0.169 0.000 0.743 22 V HN 0.408 nan 8.190 nan 0.000 0.492 23 N N 0.299 119.072 118.700 0.121 0.000 2.453 23 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 23 N C 1.317 176.781 175.510 -0.077 0.000 1.041 23 N CA 1.423 54.471 53.050 -0.005 0.000 0.900 23 N CB -0.484 37.943 38.487 -0.099 0.000 0.961 23 N HN 0.719 nan 8.380 nan 0.000 0.443 24 Y N 0.371 120.710 120.300 0.065 0.000 2.529 24 Y HA 0.219 4.769 4.550 -0.000 0.000 0.290 24 Y C 0.630 176.565 175.900 0.058 0.000 1.177 24 Y CA -0.035 58.099 58.100 0.057 0.000 1.305 24 Y CB 0.138 38.633 38.460 0.058 0.000 1.047 24 Y HN -0.077 nan 8.280 nan 0.000 0.522 25 I N 4.188 124.862 120.570 0.172 0.000 2.322 25 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 25 I C -2.084 174.077 176.117 0.073 0.000 1.060 25 I CA -1.976 59.396 61.300 0.120 0.000 1.309 25 I CB 0.725 38.802 38.000 0.128 0.000 1.415 25 I HN -0.103 nan 8.210 nan 0.000 0.492 26 P HA 0.227 nan 4.420 nan 0.000 0.280 26 P C -0.946 176.371 177.300 0.029 0.000 1.272 26 P CA -0.619 62.501 63.100 0.034 0.000 0.819 26 P CB 0.771 32.486 31.700 0.025 0.000 1.122 27 D N 0.676 121.093 120.400 0.028 0.000 2.506 27 D HA -0.047 4.593 4.640 -0.000 0.000 0.234 27 D C 0.791 177.095 176.300 0.007 0.000 1.143 27 D CA 0.874 54.891 54.000 0.028 0.000 0.871 27 D CB -0.090 40.727 40.800 0.029 0.000 1.190 27 D HN 0.470 nan 8.370 nan 0.000 0.459 28 E N -1.758 118.443 120.200 0.001 0.000 3.496 28 E HA -0.246 4.104 4.350 -0.000 0.000 0.300 28 E C -0.220 176.350 176.600 -0.051 0.000 0.877 28 E CA 0.587 56.972 56.400 -0.026 0.000 1.050 28 E CB -1.325 28.358 29.700 -0.029 0.000 1.532 28 E HN 0.563 nan 8.360 nan 0.000 0.447 29 A N 0.971 123.768 122.820 -0.038 0.000 2.483 29 A HA 0.275 4.595 4.320 -0.000 0.000 0.238 29 A C 0.566 178.101 177.584 -0.083 0.000 1.070 29 A CA 0.596 52.600 52.037 -0.054 0.000 0.770 29 A CB 0.401 19.381 19.000 -0.034 0.000 1.008 29 A HN 0.107 nan 8.150 nan 0.000 0.497 30 T N 2.998 117.489 114.554 -0.104 0.000 2.762 30 T HA 0.397 4.747 4.350 -0.000 0.000 0.303 30 T C -0.320 174.317 174.700 -0.105 0.000 0.977 30 T CA -0.018 62.012 62.100 -0.117 0.000 0.961 30 T CB 0.057 68.827 68.868 -0.164 0.000 0.944 30 T HN 0.505 nan 8.240 nan 0.000 0.481 31 L N 4.392 125.544 121.223 -0.119 0.000 2.264 31 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 31 L C -0.333 176.438 176.870 -0.165 0.000 1.044 31 L CA -0.546 54.169 54.840 -0.209 0.000 0.807 31 L CB 0.589 42.458 42.059 -0.317 0.000 1.192 31 L HN 0.733 nan 8.230 nan 0.000 0.425 32 C N 5.747 124.953 119.300 -0.157 0.000 2.295 32 C HA 0.748 5.208 4.460 -0.000 0.000 0.331 32 C C -0.312 174.627 174.990 -0.085 0.000 1.280 32 C CA -0.528 58.439 59.018 -0.086 0.000 1.746 32 C CB 0.444 28.164 27.740 -0.033 0.000 2.328 32 C HN 0.645 nan 8.230 nan 0.000 0.521 33 V N 7.816 127.710 119.914 -0.034 0.000 2.350 33 V HA 0.313 4.433 4.120 -0.000 0.000 0.285 33 V C 0.036 176.175 176.094 0.075 0.000 1.014 33 V CA -0.555 61.772 62.300 0.044 0.000 0.831 33 V CB 1.110 32.967 31.823 0.057 0.000 1.000 33 V HN 0.818 nan 8.190 nan 0.000 0.433 34 L N 4.915 126.206 121.223 0.114 0.000 2.456 34 L HA 0.746 5.086 4.340 -0.000 0.000 0.272 34 L C 0.594 177.521 176.870 0.096 0.000 1.189 34 L CA 1.684 56.588 54.840 0.107 0.000 0.846 34 L CB 0.549 42.688 42.059 0.132 0.000 1.111 34 L HN 0.983 nan 8.230 nan 0.000 0.475 35 G N 2.451 111.297 108.800 0.077 0.000 2.333 35 G HA2 0.559 4.519 3.960 -0.000 0.000 0.330 35 G HA3 0.559 4.519 3.960 -0.000 0.000 0.330 35 G C -1.722 173.199 174.900 0.034 0.000 1.465 35 G CA -0.249 44.883 45.100 0.052 0.000 0.996 35 G HN 1.101 nan 8.290 nan 0.000 0.655 36 A N -0.841 121.981 122.820 0.003 0.000 2.539 36 A HA 1.036 5.356 4.320 -0.000 0.000 0.272 36 A C 0.791 178.340 177.584 -0.057 0.000 1.286 36 A CA 0.302 52.335 52.037 -0.007 0.000 0.792 36 A CB 0.768 19.772 19.000 0.007 0.000 1.355 36 A HN 2.420 nan 8.150 nan 0.000 0.472 37 G N -1.607 107.156 108.800 -0.062 0.000 2.554 37 G HA2 0.505 4.465 3.960 -0.000 0.000 0.238 37 G HA3 0.505 4.465 3.960 -0.000 0.000 0.238 37 G C 1.122 175.916 174.900 -0.176 0.000 1.259 37 G CA 0.626 45.675 45.100 -0.084 0.000 0.843 37 G HN 2.351 nan 8.290 nan 0.000 0.582 38 G N -0.572 108.075 108.800 -0.255 0.000 2.160 38 G HA2 0.196 4.156 3.960 -0.000 0.000 0.251 38 G HA3 0.196 4.156 3.960 -0.000 0.000 0.251 38 G C 1.388 175.725 174.900 -0.939 0.000 1.008 38 G CA 1.014 45.864 45.100 -0.417 0.000 0.724 38 G HN 2.615 nan 8.290 nan 0.000 0.514 39 G N -1.249 106.815 108.800 -1.227 0.000 2.175 39 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 39 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 39 G C 0.509 175.216 174.900 -0.322 0.000 0.982 39 G CA 0.156 44.693 45.100 -0.937 0.000 0.641 39 G HN 1.412 nan 8.290 nan 0.000 0.527 40 I N 1.603 122.033 120.570 -0.234 0.000 2.845 40 I HA 0.072 4.242 4.170 -0.000 0.000 0.290 40 I C 1.862 177.955 176.117 -0.041 0.000 1.202 40 I CA 0.572 61.813 61.300 -0.099 0.000 1.406 40 I CB 0.257 38.216 38.000 -0.069 0.000 1.383 40 I HN 0.308 nan 8.210 nan 0.000 0.549 41 L N 4.456 125.677 121.223 -0.004 0.000 3.976 41 L HA -0.245 4.095 4.340 -0.000 0.000 0.418 41 L C 0.681 177.576 176.870 0.042 0.000 1.177 41 L CA 0.560 55.427 54.840 0.045 0.000 0.968 41 L CB -0.965 41.161 42.059 0.112 0.000 1.933 41 L HN 0.725 nan 8.230 nan 0.000 0.976 42 E N 0.594 120.804 120.200 0.016 0.000 2.200 42 E HA 0.443 4.793 4.350 -0.000 0.000 0.283 42 E C 0.537 177.164 176.600 0.045 0.000 1.015 42 E CA 0.242 56.669 56.400 0.046 0.000 0.819 42 E CB 1.242 30.970 29.700 0.047 0.000 1.081 42 E HN 0.292 nan 8.360 nan 0.000 0.397 43 A N 4.489 127.337 122.820 0.046 0.000 3.048 43 A HA 0.086 4.406 4.320 -0.000 0.000 0.264 43 A C 1.105 178.663 177.584 -0.042 0.000 1.796 43 A CA -0.185 51.841 52.037 -0.018 0.000 1.445 43 A CB -0.466 18.504 19.000 -0.050 0.000 1.074 43 A HN 0.779 nan 8.150 nan 0.000 0.621 44 T N 0.539 115.099 114.554 0.010 0.000 2.759 44 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 44 T C 2.326 177.007 174.700 -0.031 0.000 1.042 44 T CA 2.328 64.448 62.100 0.032 0.000 1.140 44 T CB -0.369 68.551 68.868 0.086 0.000 0.864 44 T HN 0.900 nan 8.240 nan 0.000 0.455 45 T N 1.061 115.576 114.554 -0.065 0.000 2.833 45 T HA 0.019 4.369 4.350 -0.000 0.000 0.269 45 T C 1.992 176.599 174.700 -0.155 0.000 1.054 45 T CA 0.812 62.861 62.100 -0.086 0.000 1.135 45 T CB -0.640 68.181 68.868 -0.078 0.000 0.869 45 T HN 0.300 nan 8.240 nan 0.000 0.466 46 L N -0.068 120.975 121.223 -0.299 0.000 2.072 46 L HA 0.151 4.491 4.340 -0.000 0.000 0.205 46 L C 2.770 179.362 176.870 -0.464 0.000 1.079 46 L CA 0.976 55.450 54.840 -0.611 0.000 0.752 46 L CB -0.425 40.864 42.059 -1.283 0.000 0.906 46 L HN 0.250 nan 8.230 nan 0.000 0.436 47 I N -0.639 119.812 120.570 -0.198 0.000 2.179 47 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 47 I C 2.509 178.663 176.117 0.062 0.000 1.088 47 I CA 1.520 62.876 61.300 0.093 0.000 1.357 47 I CB -0.662 37.422 38.000 0.140 0.000 1.051 47 I HN 0.232 nan 8.210 nan 0.000 0.409 48 T N 1.004 115.566 114.554 0.013 0.000 2.635 48 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 48 T C 2.063 176.776 174.700 0.023 0.000 1.040 48 T CA 1.745 63.855 62.100 0.015 0.000 1.156 48 T CB -0.430 68.435 68.868 -0.005 0.000 0.863 48 T HN 0.503 nan 8.240 nan 0.000 0.430 49 A N 1.007 123.825 122.820 -0.003 0.000 1.933 49 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 49 A C 2.253 179.875 177.584 0.063 0.000 1.175 49 A CA 1.294 53.339 52.037 0.014 0.000 0.628 49 A CB -0.750 18.239 19.000 -0.017 0.000 0.814 49 A HN 0.401 nan 8.150 nan 0.000 0.444 50 L N -0.254 121.028 121.223 0.099 0.000 2.027 50 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 50 L C 2.651 179.615 176.870 0.157 0.000 1.074 50 L CA 2.176 57.118 54.840 0.170 0.000 0.745 50 L CB -0.895 41.335 42.059 0.286 0.000 0.898 50 L HN 0.327 nan 8.230 nan 0.000 0.433 51 A N -0.750 122.148 122.820 0.131 0.000 1.902 51 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 51 A C 1.987 179.650 177.584 0.131 0.000 1.181 51 A CA 1.884 53.997 52.037 0.126 0.000 0.623 51 A CB -0.878 18.176 19.000 0.090 0.000 0.818 51 A HN 0.525 nan 8.150 nan 0.000 0.443 52 D N -0.431 120.024 120.400 0.092 0.000 2.104 52 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 52 D C 1.892 178.238 176.300 0.077 0.000 0.994 52 D CA 1.555 55.596 54.000 0.070 0.000 0.830 52 D CB -0.283 40.543 40.800 0.044 0.000 0.959 52 D HN 0.550 nan 8.370 nan 0.000 0.452 53 K N -0.522 119.934 120.400 0.092 0.000 2.032 53 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 53 K C 2.282 178.941 176.600 0.097 0.000 1.048 53 K CA 1.100 57.438 56.287 0.086 0.000 0.927 53 K CB -0.294 32.267 32.500 0.102 0.000 0.712 53 K HN 0.160 nan 8.250 nan 0.000 0.441 54 Y N 1.427 121.749 120.300 0.037 0.000 2.242 54 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 54 Y C 2.290 178.206 175.900 0.026 0.000 1.137 54 Y CA 1.943 60.063 58.100 0.034 0.000 1.181 54 Y CB -0.004 38.481 38.460 0.041 0.000 0.989 54 Y HN 0.015 nan 8.280 nan 0.000 0.527 55 K N -0.190 120.275 120.400 0.108 0.000 2.103 55 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 55 K C 1.975 178.545 176.600 -0.049 0.000 1.048 55 K CA 1.928 58.236 56.287 0.034 0.000 0.930 55 K CB -0.066 32.475 32.500 0.069 0.000 0.716 55 K HN 0.457 nan 8.250 nan 0.000 0.444 56 Q N -1.048 118.728 119.800 -0.041 0.000 2.163 56 Q HA -0.053 4.287 4.340 -0.000 0.000 0.198 56 Q C 1.612 177.560 176.000 -0.087 0.000 0.954 56 Q CA 1.708 57.482 55.803 -0.049 0.000 0.851 56 Q CB 0.562 29.288 28.738 -0.020 0.000 0.928 56 Q HN 0.510 nan 8.270 nan 0.000 0.459 57 T N -4.350 110.129 114.554 -0.126 0.000 2.975 57 T HA 0.111 4.461 4.350 -0.000 0.000 0.261 57 T C 0.195 174.762 174.700 -0.221 0.000 0.984 57 T CA -0.114 61.909 62.100 -0.127 0.000 0.911 57 T CB 0.476 69.305 68.868 -0.066 0.000 1.127 57 T HN -0.001 nan 8.240 nan 0.000 0.514 58 Q N 1.969 121.489 119.800 -0.467 0.000 2.461 58 Q HA -0.142 4.198 4.340 -0.000 0.000 0.273 58 Q C 0.064 175.848 176.000 -0.360 0.000 1.163 58 Q CA 1.412 56.713 55.803 -0.837 0.000 0.929 58 Q CB -2.698 25.744 28.738 -0.493 0.000 1.334 58 Q HN 0.951 nan 8.270 nan 0.000 0.499 59 T N -3.859 110.623 114.554 -0.120 0.000 2.903 59 T HA 0.827 5.177 4.350 -0.000 0.000 0.299 59 T C -2.792 172.047 174.700 0.233 0.000 1.093 59 T CA -2.069 60.097 62.100 0.111 0.000 1.002 59 T CB 3.297 72.188 68.868 0.038 0.000 1.127 59 T HN -0.137 nan 8.240 nan 0.000 0.488 60 P HA 0.461 nan 4.420 nan 0.000 0.279 60 P C -0.859 176.575 177.300 0.224 0.000 1.282 60 P CA -0.756 62.444 63.100 0.167 0.000 0.788 60 P CB 0.870 32.634 31.700 0.107 0.000 1.139 61 R N -0.034 120.553 120.500 0.144 0.000 2.750 61 R HA 0.341 4.681 4.340 -0.000 0.000 0.281 61 R C -0.214 176.126 176.300 0.065 0.000 0.972 61 R CA -0.761 55.426 56.100 0.144 0.000 0.912 61 R CB 0.828 31.214 30.300 0.145 0.000 1.187 61 R HN 0.445 nan 8.270 nan 0.000 0.464 62 N N 1.044 119.770 118.700 0.043 0.000 2.740 62 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 62 N C -0.513 175.009 175.510 0.021 0.000 1.062 62 N CA 0.722 53.792 53.050 0.034 0.000 0.704 62 N CB -1.187 37.325 38.487 0.042 0.000 0.968 62 N HN 0.506 nan 8.380 nan 0.000 0.547 63 L N 0.027 121.253 121.223 0.006 0.000 2.452 63 L HA 0.173 4.513 4.340 -0.000 0.000 0.267 63 L C 0.977 177.875 176.870 0.045 0.000 1.188 63 L CA 0.185 55.025 54.840 -0.001 0.000 0.821 63 L CB 0.575 42.620 42.059 -0.023 0.000 1.102 63 L HN 0.028 nan 8.230 nan 0.000 0.470 64 S N 2.681 118.399 115.700 0.030 0.000 2.489 64 S HA 0.571 5.041 4.470 -0.000 0.000 0.291 64 S C -0.249 174.442 174.600 0.152 0.000 1.151 64 S CA -0.595 57.703 58.200 0.164 0.000 1.082 64 S CB 1.394 64.537 63.200 -0.094 0.000 1.019 64 S HN 0.234 nan 8.310 nan 0.000 0.492 65 I N 3.346 124.064 120.570 0.248 0.000 2.412 65 I HA 0.465 4.635 4.170 -0.000 0.000 0.296 65 I C -0.287 175.921 176.117 0.153 0.000 0.987 65 I CA -0.606 60.754 61.300 0.100 0.000 1.180 65 I CB 1.167 39.165 38.000 -0.002 0.000 1.340 65 I HN 0.547 nan 8.210 nan 0.000 0.455 66 I N 4.068 124.675 120.570 0.062 0.000 2.389 66 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 66 I C 0.039 176.135 176.117 -0.035 0.000 0.999 66 I CA -0.317 61.004 61.300 0.035 0.000 1.129 66 I CB 1.929 39.962 38.000 0.055 0.000 1.288 66 I HN 0.498 nan 8.210 nan 0.000 0.444 67 S N 7.697 123.348 115.700 -0.081 0.000 2.653 67 S HA 0.415 4.885 4.470 -0.000 0.000 0.272 67 S C -1.895 172.672 174.600 -0.054 0.000 1.221 67 S CA -1.519 56.634 58.200 -0.078 0.000 1.149 67 S CB 0.968 64.085 63.200 -0.138 0.000 1.029 67 S HN 0.291 nan 8.310 nan 0.000 0.481 68 P HA -0.066 nan 4.420 nan 0.000 0.216 68 P C 0.660 177.979 177.300 0.032 0.000 1.154 68 P CA 1.282 64.386 63.100 0.008 0.000 0.865 68 P CB 0.211 31.927 31.700 0.026 0.000 0.789 69 T N -3.112 111.470 114.554 0.046 0.000 2.804 69 T HA 0.633 4.983 4.350 -0.000 0.000 0.290 69 T C -0.609 174.129 174.700 0.063 0.000 1.099 69 T CA -0.716 61.434 62.100 0.084 0.000 1.011 69 T CB 0.945 69.878 68.868 0.109 0.000 1.291 69 T HN -0.126 nan 8.240 nan 0.000 0.523 70 G N 1.810 110.665 108.800 0.091 0.000 2.349 70 G HA2 0.528 4.488 3.960 -0.000 0.000 0.281 70 G HA3 0.528 4.488 3.960 -0.000 0.000 0.281 70 G C -0.785 174.139 174.900 0.040 0.000 1.182 70 G CA -0.213 44.946 45.100 0.097 0.000 0.899 70 G HN 0.544 nan 8.290 nan 0.000 0.455 71 L N 2.040 123.289 121.223 0.043 0.000 2.379 71 L HA 0.801 5.141 4.340 -0.000 0.000 0.269 71 L C 0.996 177.923 176.870 0.095 0.000 1.084 71 L CA 1.209 56.080 54.840 0.050 0.000 0.802 71 L CB 1.369 43.467 42.059 0.065 0.000 1.175 71 L HN 1.056 nan 8.230 nan 0.000 0.448 72 G N 1.479 110.357 108.800 0.129 0.000 2.409 72 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.421 72 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.421 72 G C -0.870 174.203 174.900 0.287 0.000 1.259 72 G CA -0.064 45.202 45.100 0.277 0.000 1.011 72 G HN 0.770 nan 8.290 nan 0.000 0.497 73 D N -0.862 119.707 120.400 0.281 0.000 2.623 73 D HA 0.291 4.931 4.640 -0.000 0.000 0.252 73 D C 0.917 177.295 176.300 0.131 0.000 1.294 73 D CA -0.380 53.752 54.000 0.220 0.000 0.824 73 D CB -0.134 40.798 40.800 0.221 0.000 1.070 73 D HN 0.877 nan 8.370 nan 0.000 0.487 74 R N -0.894 119.681 120.500 0.124 0.000 3.627 74 R HA -0.167 4.173 4.340 -0.000 0.000 0.281 74 R C 0.346 176.694 176.300 0.079 0.000 1.140 74 R CA 0.948 57.112 56.100 0.106 0.000 0.761 74 R CB -1.921 28.440 30.300 0.102 0.000 1.181 74 R HN 0.502 nan 8.270 nan 0.000 0.472 75 A N -0.870 121.994 122.820 0.073 0.000 2.196 75 A HA 0.286 4.606 4.320 -0.000 0.000 0.174 75 A C -0.182 177.425 177.584 0.038 0.000 1.272 75 A CA -0.213 51.852 52.037 0.047 0.000 2.185 75 A CB 0.418 19.437 19.000 0.033 0.000 2.596 75 A HN 0.090 nan 8.150 nan 0.000 1.043 76 D N 0.306 120.716 120.400 0.017 0.000 2.398 76 D HA 0.205 4.845 4.640 -0.000 0.000 0.210 76 D C 0.739 177.036 176.300 -0.006 0.000 1.094 76 D CA 0.055 54.060 54.000 0.008 0.000 0.839 76 D CB 0.631 41.429 40.800 -0.003 0.000 0.963 76 D HN 0.284 nan 8.370 nan 0.000 0.506 77 R N 0.387 120.877 120.500 -0.016 0.000 2.523 77 R HA 0.489 4.829 4.340 -0.000 0.000 0.216 77 R C 1.191 177.545 176.300 0.089 0.000 1.279 77 R CA -0.052 56.026 56.100 -0.037 0.000 1.015 77 R CB -0.142 30.001 30.300 -0.262 0.000 1.756 77 R HN 0.011 nan 8.270 nan 0.000 0.528 78 G N 1.010 109.933 108.800 0.206 0.000 2.550 78 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.277 78 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.277 78 G C 0.622 175.596 174.900 0.123 0.000 1.190 78 G CA 0.458 45.677 45.100 0.198 0.000 0.971 78 G HN 0.730 nan 8.290 nan 0.000 0.559 79 I N -1.850 118.769 120.570 0.082 0.000 3.875 79 I HA 0.417 4.587 4.170 -0.000 0.000 0.329 79 I C 2.094 178.233 176.117 0.037 0.000 1.295 79 I CA 1.127 62.460 61.300 0.056 0.000 1.129 79 I CB 0.366 38.378 38.000 0.021 0.000 1.008 79 I HN 0.256 nan 8.210 nan 0.000 0.413 80 S N 2.582 118.308 115.700 0.043 0.000 2.380 80 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 80 S C -0.406 174.213 174.600 0.032 0.000 1.043 80 S CA 1.958 60.179 58.200 0.036 0.000 1.038 80 S CB -1.109 62.115 63.200 0.039 0.000 0.872 80 S HN 0.450 nan 8.310 nan 0.000 0.456 81 P HA -0.024 nan 4.420 nan 0.000 0.223 81 P C 0.761 178.084 177.300 0.038 0.000 1.144 81 P CA 0.850 63.973 63.100 0.039 0.000 0.783 81 P CB -0.112 31.614 31.700 0.045 0.000 0.771 82 L N -1.902 119.337 121.223 0.027 0.000 2.591 82 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 82 L C 1.490 178.336 176.870 -0.041 0.000 1.133 82 L CA 0.006 54.843 54.840 -0.004 0.000 0.880 82 L CB -0.471 41.592 42.059 0.006 0.000 1.033 82 L HN -0.095 nan 8.230 nan 0.000 0.450 83 A N 0.058 122.871 122.820 -0.012 0.000 2.648 83 A HA 0.162 4.482 4.320 -0.000 0.000 0.269 83 A C 0.444 178.022 177.584 -0.010 0.000 1.392 83 A CA -0.241 51.791 52.037 -0.008 0.000 1.019 83 A CB -0.488 18.523 19.000 0.018 0.000 1.009 83 A HN 0.362 nan 8.150 nan 0.000 0.565 84 Q N 0.912 120.683 119.800 -0.049 0.000 2.279 84 Q HA 0.210 4.550 4.340 -0.000 0.000 0.256 84 Q C -0.581 175.386 176.000 -0.055 0.000 0.937 84 Q CA -0.209 55.591 55.803 -0.005 0.000 0.933 84 Q CB 1.079 29.864 28.738 0.078 0.000 1.189 84 Q HN 0.550 nan 8.270 nan 0.000 0.417 85 E N 0.566 120.795 120.200 0.048 0.000 2.415 85 E HA 0.072 4.422 4.350 -0.000 0.000 0.263 85 E C 0.743 177.399 176.600 0.094 0.000 0.995 85 E CA 0.876 57.305 56.400 0.049 0.000 0.915 85 E CB 0.393 30.133 29.700 0.066 0.000 0.951 85 E HN 0.931 nan 8.360 nan 0.000 0.449 86 G N 2.445 111.269 108.800 0.041 0.000 2.279 86 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.223 86 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.223 86 G C 0.662 175.516 174.900 -0.077 0.000 1.015 86 G CA 0.267 45.428 45.100 0.102 0.000 0.621 86 G HN 0.492 nan 8.290 nan 0.000 0.506 87 L N 1.106 122.009 121.223 -0.533 0.000 2.044 87 L HA 0.503 4.843 4.340 -0.000 0.000 0.205 87 L C 1.202 177.929 176.870 -0.238 0.000 1.075 87 L CA 1.724 56.144 54.840 -0.699 0.000 0.747 87 L CB -0.080 41.338 42.059 -1.070 0.000 0.903 87 L HN 0.272 nan 8.230 nan 0.000 0.435 88 V N 0.464 120.289 119.914 -0.148 0.000 2.459 88 V HA 0.260 4.380 4.120 -0.000 0.000 0.295 88 V C 0.614 176.730 176.094 0.036 0.000 1.029 88 V CA -0.193 62.090 62.300 -0.028 0.000 0.874 88 V CB 1.512 33.328 31.823 -0.013 0.000 0.985 88 V HN 0.496 nan 8.190 nan 0.000 0.438 89 K N 2.503 122.966 120.400 0.105 0.000 2.425 89 K HA 0.203 4.523 4.320 -0.000 0.000 0.201 89 K C -0.096 176.662 176.600 0.263 0.000 1.128 89 K CA -0.278 56.098 56.287 0.150 0.000 1.000 89 K CB 0.944 33.523 32.500 0.132 0.000 0.961 89 K HN 0.523 nan 8.250 nan 0.000 0.555 90 W N 0.426 121.758 121.300 0.054 0.000 3.425 90 W HA 0.574 5.234 4.660 -0.000 0.000 0.318 90 W C -2.244 174.340 176.519 0.109 0.000 1.201 90 W CA -0.365 57.040 57.345 0.101 0.000 1.212 90 W CB 2.120 31.636 29.460 0.094 0.000 1.355 90 W HN 0.036 nan 8.180 nan 0.000 0.515 91 A N 5.168 127.927 122.820 -0.102 0.000 2.488 91 A HA 0.692 5.012 4.320 -0.000 0.000 0.298 91 A C -2.592 174.795 177.584 -0.327 0.000 1.044 91 A CA -0.684 51.295 52.037 -0.097 0.000 0.693 91 A CB 1.588 20.563 19.000 -0.041 0.000 1.272 91 A HN 0.927 nan 8.150 nan 0.000 0.402 92 L N 2.518 123.555 121.223 -0.311 0.000 2.319 92 L HA 0.805 5.145 4.340 -0.000 0.000 0.281 92 L C -1.015 175.780 176.870 -0.126 0.000 1.005 92 L CA -0.237 54.486 54.840 -0.196 0.000 0.828 92 L CB 0.735 42.621 42.059 -0.288 0.000 1.227 92 L HN 0.724 nan 8.230 nan 0.000 0.415 93 C N 2.639 121.902 119.300 -0.061 0.000 2.802 93 C HA 0.665 5.125 4.460 -0.000 0.000 0.307 93 C C 1.414 176.431 174.990 0.044 0.000 1.222 93 C CA -0.292 58.577 59.018 -0.249 0.000 1.580 93 C CB 1.626 28.789 27.740 -0.962 0.000 2.119 93 C HN 0.960 nan 8.230 nan 0.000 0.479 94 G N -0.556 108.271 108.800 0.045 0.000 2.551 94 G HA2 0.089 4.049 3.960 -0.000 0.000 0.216 94 G HA3 0.089 4.049 3.960 -0.000 0.000 0.216 94 G C 0.412 175.486 174.900 0.289 0.000 1.137 94 G CA 0.742 45.944 45.100 0.169 0.000 0.798 94 G HN 0.804 nan 8.290 nan 0.000 0.536 95 H N -2.498 116.638 119.070 0.109 0.000 2.894 95 H HA 0.253 4.809 4.556 -0.000 0.000 0.367 95 H C -0.870 174.499 175.328 0.069 0.000 1.144 95 H CA -0.808 55.352 56.048 0.186 0.000 1.180 95 H CB 1.619 31.472 29.762 0.151 0.000 1.758 95 H HN 0.055 nan 8.280 nan 0.000 0.541 96 W N 1.740 122.844 121.300 -0.326 0.000 2.904 96 W HA 0.251 4.911 4.660 -0.000 0.000 0.265 96 W C 2.107 178.568 176.519 -0.096 0.000 1.138 96 W CA 0.751 58.014 57.345 -0.137 0.000 1.455 96 W CB 0.441 29.820 29.460 -0.135 0.000 0.924 96 W HN 0.776 nan 8.180 nan 0.000 0.619 97 G N -0.348 108.437 108.800 -0.025 0.000 2.744 97 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.211 97 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.211 97 G C 1.253 176.313 174.900 0.266 0.000 1.143 97 G CA 0.535 45.714 45.100 0.131 0.000 0.788 97 G HN 0.138 nan 8.290 nan 0.000 0.534 98 Q N 0.468 120.503 119.800 0.391 0.000 2.230 98 Q HA 0.119 4.459 4.340 -0.000 0.000 0.202 98 Q C 0.905 176.999 176.000 0.157 0.000 0.963 98 Q CA 0.622 56.573 55.803 0.247 0.000 0.866 98 Q CB 0.159 29.009 28.738 0.187 0.000 0.931 98 Q HN 0.251 nan 8.270 nan 0.000 0.452 99 S N 1.420 117.197 115.700 0.129 0.000 2.150 99 S HA 0.252 4.722 4.470 -0.000 0.000 0.171 99 S C -2.245 172.404 174.600 0.081 0.000 1.620 99 S CA -1.082 57.168 58.200 0.084 0.000 1.190 99 S CB 1.179 64.404 63.200 0.042 0.000 1.102 99 S HN 0.255 nan 8.310 nan 0.000 0.464 100 P HA -0.020 nan 4.420 nan 0.000 0.226 100 P C 1.211 178.549 177.300 0.063 0.000 1.153 100 P CA 0.535 63.679 63.100 0.074 0.000 0.777 100 P CB 0.343 32.075 31.700 0.052 0.000 0.794 101 R N -0.278 120.254 120.500 0.054 0.000 2.092 101 R HA -0.003 4.337 4.340 -0.000 0.000 0.231 101 R C 2.335 178.671 176.300 0.060 0.000 1.119 101 R CA 1.041 57.168 56.100 0.046 0.000 0.970 101 R CB -1.182 29.139 30.300 0.036 0.000 0.864 101 R HN 0.154 nan 8.270 nan 0.000 0.440 102 I N 0.320 120.932 120.570 0.070 0.000 2.202 102 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 102 I C 2.060 178.317 176.117 0.233 0.000 1.091 102 I CA 1.754 63.113 61.300 0.099 0.000 1.368 102 I CB -1.286 36.717 38.000 0.004 0.000 1.058 102 I HN 0.224 nan 8.210 nan 0.000 0.410 103 S N 0.440 116.307 115.700 0.277 0.000 2.399 103 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 103 S C 1.568 176.227 174.600 0.099 0.000 1.022 103 S CA 1.096 59.486 58.200 0.316 0.000 0.983 103 S CB -0.456 62.913 63.200 0.281 0.000 0.803 103 S HN 0.336 nan 8.310 nan 0.000 0.480 104 D N 2.180 122.620 120.400 0.066 0.000 2.123 104 D HA -0.038 4.602 4.640 -0.000 0.000 0.196 104 D C 1.959 178.269 176.300 0.016 0.000 0.992 104 D CA 1.083 55.094 54.000 0.018 0.000 0.833 104 D CB -0.494 40.317 40.800 0.018 0.000 0.954 104 D HN 0.380 nan 8.370 nan 0.000 0.455 105 L N 0.496 121.747 121.223 0.046 0.000 2.042 105 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 105 L C 2.522 179.401 176.870 0.016 0.000 1.076 105 L CA 1.208 56.071 54.840 0.039 0.000 0.749 105 L CB -0.483 41.613 42.059 0.062 0.000 0.893 105 L HN -0.001 nan 8.230 nan 0.000 0.432 106 A N 0.115 122.949 122.820 0.024 0.000 1.877 106 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 106 A C 2.122 179.622 177.584 -0.139 0.000 1.186 106 A CA 1.629 53.609 52.037 -0.095 0.000 0.620 106 A CB -0.461 18.385 19.000 -0.258 0.000 0.822 106 A HN 0.445 nan 8.150 nan 0.000 0.443 107 E N -0.249 119.880 120.200 -0.118 0.000 2.118 107 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 107 E C 1.707 178.255 176.600 -0.086 0.000 0.992 107 E CA 1.457 57.786 56.400 -0.119 0.000 0.804 107 E CB -0.172 29.465 29.700 -0.105 0.000 0.741 107 E HN 0.743 nan 8.360 nan 0.000 0.458 108 Q N 0.306 120.071 119.800 -0.058 0.000 2.322 108 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 108 Q C -0.336 175.641 176.000 -0.039 0.000 0.923 108 Q CA -0.227 55.552 55.803 -0.041 0.000 0.949 108 Q CB 0.318 29.043 28.738 -0.022 0.000 1.039 108 Q HN 0.182 nan 8.270 nan 0.000 0.496 109 N N 0.679 119.345 118.700 -0.056 0.000 2.708 109 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 109 N C 0.132 175.627 175.510 -0.025 0.000 1.097 109 N CA 0.845 53.864 53.050 -0.052 0.000 0.710 109 N CB -0.395 38.064 38.487 -0.047 0.000 1.032 109 N HN 0.390 nan 8.380 nan 0.000 0.551 110 K N -0.104 120.288 120.400 -0.013 0.000 2.356 110 K HA 0.167 4.487 4.320 -0.000 0.000 0.195 110 K C 1.298 177.912 176.600 0.024 0.000 1.037 110 K CA 0.561 56.853 56.287 0.009 0.000 1.014 110 K CB 0.655 33.164 32.500 0.015 0.000 0.815 110 K HN 0.576 nan 8.250 nan 0.000 0.507 111 I N -2.384 118.197 120.570 0.017 0.000 2.969 111 I HA 0.419 4.589 4.170 -0.000 0.000 0.307 111 I C -0.563 175.547 176.117 -0.011 0.000 1.149 111 I CA -1.346 59.979 61.300 0.041 0.000 1.008 111 I CB 1.621 39.670 38.000 0.081 0.000 1.232 111 I HN -0.294 nan 8.210 nan 0.000 0.435 112 I N 3.439 124.013 120.570 0.005 0.000 2.634 112 I HA 0.519 4.689 4.170 -0.000 0.000 0.284 112 I C 0.374 176.319 176.117 -0.286 0.000 1.124 112 I CA 0.279 61.498 61.300 -0.134 0.000 1.417 112 I CB 1.226 39.240 38.000 0.023 0.000 1.396 112 I HN 0.788 nan 8.210 nan 0.000 0.571 113 A N 6.450 128.984 122.820 -0.475 0.000 2.442 113 A HA 0.707 5.027 4.320 -0.000 0.000 0.284 113 A C -1.506 175.758 177.584 -0.534 0.000 1.058 113 A CA -0.377 51.438 52.037 -0.370 0.000 0.738 113 A CB 0.514 19.237 19.000 -0.462 0.000 1.242 113 A HN 0.548 nan 8.150 nan 0.000 0.421 114 Y N 0.668 120.894 120.300 -0.122 0.000 2.524 114 Y HA 0.576 5.126 4.550 -0.000 0.000 0.344 114 Y C 0.421 176.450 175.900 0.215 0.000 1.012 114 Y CA -0.661 57.418 58.100 -0.035 0.000 1.068 114 Y CB 2.446 40.824 38.460 -0.135 0.000 1.249 114 Y HN 0.739 nan 8.280 nan 0.000 0.468 115 N N 1.721 120.681 118.700 0.433 0.000 2.617 115 N HA 0.238 4.978 4.740 -0.000 0.000 0.263 115 N C -1.723 174.056 175.510 0.449 0.000 1.074 115 N CA -0.414 52.938 53.050 0.504 0.000 0.841 115 N CB 0.506 39.294 38.487 0.502 0.000 1.221 115 N HN 0.441 nan 8.380 nan 0.000 0.529 116 Y N 2.020 122.437 120.300 0.195 0.000 2.336 116 Y HA 0.273 4.823 4.550 -0.000 0.000 0.331 116 Y C -1.836 174.098 175.900 0.056 0.000 1.211 116 Y CA -2.198 55.963 58.100 0.101 0.000 1.346 116 Y CB 0.106 38.574 38.460 0.013 0.000 1.271 116 Y HN 0.466 nan 8.280 nan 0.000 0.538 117 P HA -0.037 nan 4.420 nan 0.000 0.265 117 P C 0.657 177.953 177.300 -0.007 0.000 1.193 117 P CA 0.244 63.393 63.100 0.082 0.000 0.765 117 P CB 0.507 32.217 31.700 0.016 0.000 0.823 118 Q N 3.047 122.835 119.800 -0.020 0.000 2.096 118 Q HA -0.224 4.116 4.340 -0.000 0.000 0.208 118 Q C 2.047 177.709 176.000 -0.563 0.000 0.993 118 Q CA 2.524 58.217 55.803 -0.183 0.000 0.862 118 Q CB -0.890 27.794 28.738 -0.090 0.000 0.915 118 Q HN 0.674 nan 8.270 nan 0.000 0.416 119 G N -0.224 107.969 108.800 -1.012 0.000 2.421 119 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 119 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 119 G C 1.429 176.132 174.900 -0.328 0.000 1.171 119 G CA 0.991 45.392 45.100 -1.164 0.000 0.775 119 G HN 0.316 nan 8.290 nan 0.000 0.543 120 V N 0.759 120.577 119.914 -0.160 0.000 2.343 120 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 120 V C 2.692 178.681 176.094 -0.175 0.000 1.051 120 V CA 1.620 63.778 62.300 -0.236 0.000 1.036 120 V CB -0.478 30.930 31.823 -0.692 0.000 0.654 120 V HN 0.347 nan 8.190 nan 0.000 0.451 121 L N 0.132 121.311 121.223 -0.073 0.000 2.012 121 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 121 L C 2.579 179.451 176.870 0.004 0.000 1.073 121 L CA 2.769 57.650 54.840 0.069 0.000 0.748 121 L CB -1.185 40.911 42.059 0.061 0.000 0.891 121 L HN 0.400 nan 8.230 nan 0.000 0.431 122 T N -1.671 112.850 114.554 -0.055 0.000 2.867 122 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 122 T C 1.837 176.532 174.700 -0.010 0.000 1.057 122 T CA 1.567 63.654 62.100 -0.022 0.000 1.136 122 T CB -0.070 68.791 68.868 -0.011 0.000 0.874 122 T HN 0.554 nan 8.240 nan 0.000 0.466 123 Q N 0.260 120.042 119.800 -0.030 0.000 2.124 123 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 123 Q C 2.638 178.637 176.000 -0.002 0.000 0.977 123 Q CA 2.005 57.800 55.803 -0.013 0.000 0.850 123 Q CB -0.326 28.403 28.738 -0.015 0.000 0.901 123 Q HN 0.736 nan 8.270 nan 0.000 0.429 124 T N -1.088 113.468 114.554 0.004 0.000 2.867 124 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 124 T C 1.831 176.558 174.700 0.044 0.000 1.057 124 T CA 0.619 62.742 62.100 0.038 0.000 1.136 124 T CB -0.245 68.697 68.868 0.122 0.000 0.874 124 T HN 0.137 nan 8.240 nan 0.000 0.466 125 L N 0.152 121.397 121.223 0.037 0.000 2.093 125 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 125 L C 3.237 180.129 176.870 0.036 0.000 1.085 125 L CA 1.258 56.119 54.840 0.035 0.000 0.755 125 L CB -0.486 41.590 42.059 0.027 0.000 0.904 125 L HN 0.210 nan 8.230 nan 0.000 0.435 126 R N 0.229 120.745 120.500 0.027 0.000 2.081 126 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 126 R C 2.380 178.700 176.300 0.033 0.000 1.131 126 R CA 1.372 57.487 56.100 0.024 0.000 0.960 126 R CB -0.236 30.072 30.300 0.013 0.000 0.856 126 R HN 0.337 nan 8.270 nan 0.000 0.436 127 A N 0.641 123.481 122.820 0.033 0.000 1.908 127 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 127 A C 2.308 179.934 177.584 0.070 0.000 1.181 127 A CA 1.866 53.928 52.037 0.043 0.000 0.627 127 A CB -0.767 18.253 19.000 0.033 0.000 0.818 127 A HN 0.532 nan 8.150 nan 0.000 0.445 128 A N -0.397 122.466 122.820 0.072 0.000 1.969 128 A HA 0.252 4.572 4.320 -0.000 0.000 0.218 128 A C 2.451 180.131 177.584 0.159 0.000 1.169 128 A CA 1.722 53.818 52.037 0.099 0.000 0.635 128 A CB -0.898 18.140 19.000 0.063 0.000 0.810 128 A HN 1.076 nan 8.150 nan 0.000 0.445 129 A N -0.118 122.767 122.820 0.108 0.000 1.940 129 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 129 A C 2.218 179.840 177.584 0.063 0.000 1.176 129 A CA 1.956 54.050 52.037 0.095 0.000 0.631 129 A CB -0.702 18.331 19.000 0.056 0.000 0.814 129 A HN 1.120 nan 8.150 nan 0.000 0.446 130 A N -2.375 120.484 122.820 0.065 0.000 2.275 130 A HA 0.290 4.610 4.320 -0.000 0.000 0.212 130 A C 0.644 178.284 177.584 0.092 0.000 1.201 130 A CA 0.552 52.603 52.037 0.023 0.000 0.843 130 A CB -0.819 18.198 19.000 0.027 0.000 0.873 130 A HN 0.728 nan 8.150 nan 0.000 0.492 131 H N -0.962 118.123 119.070 0.025 0.000 2.861 131 H HA -0.170 4.386 4.556 -0.000 0.000 0.289 131 H C -0.277 175.071 175.328 0.033 0.000 1.176 131 H CA 0.365 56.428 56.048 0.025 0.000 1.146 131 H CB -1.460 28.314 29.762 0.020 0.000 1.330 131 H HN 0.732 nan 8.280 nan 0.000 0.379 132 Q N 1.274 121.159 119.800 0.142 0.000 2.314 132 Q HA 0.054 4.394 4.340 -0.000 0.000 0.258 132 Q C -1.298 174.764 176.000 0.104 0.000 0.954 132 Q CA -1.472 54.393 55.803 0.104 0.000 0.890 132 Q CB 0.941 29.724 28.738 0.076 0.000 1.210 132 Q HN 0.245 nan 8.270 nan 0.000 0.410 133 P HA -0.011 nan 4.420 nan 0.000 0.225 133 P C 0.107 177.504 177.300 0.162 0.000 1.156 133 P CA 0.733 63.929 63.100 0.160 0.000 0.787 133 P CB 0.530 32.355 31.700 0.208 0.000 0.802 134 G N -0.223 108.645 108.800 0.114 0.000 2.349 134 G HA2 0.485 4.445 3.960 -0.000 0.000 0.294 134 G HA3 0.485 4.445 3.960 -0.000 0.000 0.294 134 G C -1.818 173.034 174.900 -0.080 0.000 1.380 134 G CA -0.687 44.315 45.100 -0.163 0.000 0.811 134 G HN 0.187 nan 8.290 nan 0.000 0.519 135 I N -2.193 118.269 120.570 -0.179 0.000 2.740 135 I HA 0.847 5.017 4.170 -0.000 0.000 0.303 135 I C -0.870 175.259 176.117 0.021 0.000 1.044 135 I CA -1.517 59.759 61.300 -0.041 0.000 1.064 135 I CB 2.279 40.259 38.000 -0.034 0.000 1.249 135 I HN 0.387 nan 8.210 nan 0.000 0.433 136 I N 3.778 124.364 120.570 0.026 0.000 2.355 136 I HA 0.496 4.665 4.170 -0.000 0.000 0.288 136 I C -0.116 176.009 176.117 0.015 0.000 0.999 136 I CA -0.119 61.198 61.300 0.028 0.000 1.163 136 I CB 1.555 39.430 38.000 -0.207 0.000 1.316 136 I HN 0.703 nan 8.210 nan 0.000 0.454 137 S N 3.298 119.104 115.700 0.178 0.000 2.541 137 S HA 0.292 4.762 4.470 -0.000 0.000 0.271 137 S C -0.110 174.687 174.600 0.328 0.000 1.133 137 S CA -0.734 57.590 58.200 0.207 0.000 0.876 137 S CB 1.442 64.704 63.200 0.102 0.000 1.105 137 S HN 0.724 nan 8.310 nan 0.000 0.470 138 D N 2.495 123.082 120.400 0.312 0.000 2.340 138 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 138 D C 0.509 176.826 176.300 0.028 0.000 1.039 138 D CA -0.047 54.027 54.000 0.123 0.000 0.866 138 D CB -0.177 40.604 40.800 -0.031 0.000 0.913 138 D HN 0.407 nan 8.370 nan 0.000 0.523 139 I N 1.258 121.825 120.570 -0.005 0.000 2.581 139 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 139 I C 1.796 177.937 176.117 0.038 0.000 1.129 139 I CA 1.019 62.273 61.300 -0.076 0.000 1.397 139 I CB 0.100 37.889 38.000 -0.351 0.000 1.399 139 I HN 0.413 nan 8.210 nan 0.000 0.537 140 G N 6.633 115.450 108.800 0.028 0.000 2.218 140 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 140 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 140 G C 0.449 175.328 174.900 -0.035 0.000 0.994 140 G CA -0.658 44.453 45.100 0.019 0.000 0.637 140 G HN 0.444 nan 8.290 nan 0.000 0.505 141 I N 2.089 122.635 120.570 -0.040 0.000 2.821 141 I HA 0.274 4.444 4.170 -0.000 0.000 0.294 141 I C 1.852 177.927 176.117 -0.070 0.000 1.210 141 I CA 2.489 63.747 61.300 -0.069 0.000 1.430 141 I CB -0.142 37.807 38.000 -0.085 0.000 1.356 141 I HN 1.366 nan 8.210 nan 0.000 0.563 142 G N 4.254 113.011 108.800 -0.072 0.000 2.143 142 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.249 142 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.249 142 G C 0.323 175.202 174.900 -0.036 0.000 0.981 142 G CA 0.537 45.596 45.100 -0.069 0.000 0.665 142 G HN 0.902 nan 8.290 nan 0.000 0.528 143 T N -2.789 111.755 114.554 -0.017 0.000 2.841 143 T HA 0.651 5.000 4.350 -0.000 0.000 0.276 143 T C 1.351 176.071 174.700 0.033 0.000 1.003 143 T CA 0.028 62.161 62.100 0.055 0.000 0.995 143 T CB 1.063 69.986 68.868 0.091 0.000 1.260 143 T HN 1.107 nan 8.240 nan 0.000 0.581 144 F N 0.865 120.786 119.950 -0.048 0.000 2.333 144 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 144 F C 1.933 177.698 175.800 -0.059 0.000 1.083 144 F CA 0.997 58.956 58.000 -0.070 0.000 1.395 144 F CB -1.115 37.792 39.000 -0.156 0.000 1.056 144 F HN 0.326 nan 8.300 nan 0.000 0.529 145 V N -1.666 117.710 119.914 -0.898 0.000 2.809 145 V HA -0.111 4.009 4.120 -0.000 0.000 0.256 145 V C 0.890 176.798 176.094 -0.309 0.000 1.080 145 V CA 1.047 62.959 62.300 -0.648 0.000 1.102 145 V CB -0.952 30.551 31.823 -0.533 0.000 0.705 145 V HN 0.340 nan 8.190 nan 0.000 0.475 146 D N 2.588 122.856 120.400 -0.219 0.000 2.450 146 D HA 0.090 4.730 4.640 -0.000 0.000 0.247 146 D C -1.241 174.994 176.300 -0.107 0.000 1.162 146 D CA -1.661 52.248 54.000 -0.152 0.000 0.879 146 D CB 1.819 42.559 40.800 -0.101 0.000 1.163 146 D HN 0.247 nan 8.370 nan 0.000 0.472 147 P HA -0.108 nan 4.420 nan 0.000 0.225 147 P C 0.866 178.149 177.300 -0.029 0.000 1.148 147 P CA 0.724 63.793 63.100 -0.051 0.000 0.779 147 P CB 0.250 31.921 31.700 -0.049 0.000 0.780 148 R N -0.831 119.646 120.500 -0.038 0.000 2.316 148 R HA 0.012 4.352 4.340 -0.000 0.000 0.202 148 R C 2.052 178.344 176.300 -0.015 0.000 1.029 148 R CA 0.811 56.895 56.100 -0.027 0.000 1.018 148 R CB -0.110 30.168 30.300 -0.037 0.000 0.888 148 R HN 0.419 nan 8.270 nan 0.000 0.471 149 Q N -0.787 119.008 119.800 -0.008 0.000 2.729 149 Q HA 0.094 4.433 4.340 -0.000 0.000 0.228 149 Q C 1.055 177.080 176.000 0.042 0.000 1.021 149 Q CA -0.104 55.712 55.803 0.022 0.000 0.561 149 Q CB 0.295 29.058 28.738 0.042 0.000 3.921 149 Q HN -0.058 nan 8.270 nan 0.000 0.430 150 Q N -0.537 119.308 119.800 0.075 0.000 2.317 150 Q HA 0.235 4.575 4.340 -0.000 0.000 0.220 150 Q C 0.271 176.312 176.000 0.069 0.000 0.873 150 Q CA 0.637 56.499 55.803 0.099 0.000 0.936 150 Q CB 1.147 30.010 28.738 0.208 0.000 1.105 150 Q HN 0.754 nan 8.270 nan 0.000 0.520 151 G N 0.238 109.042 108.800 0.006 0.000 2.225 151 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.267 151 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.267 151 G C 0.830 175.763 174.900 0.055 0.000 1.024 151 G CA 0.422 45.521 45.100 -0.002 0.000 0.784 151 G HN 0.887 nan 8.290 nan 0.000 0.507 152 G N -1.447 107.335 108.800 -0.030 0.000 2.155 152 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 152 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 152 G C 0.357 175.403 174.900 0.244 0.000 0.983 152 G CA 1.148 46.266 45.100 0.031 0.000 0.676 152 G HN 1.083 nan 8.290 nan 0.000 0.528 153 K N -0.203 120.285 120.400 0.147 0.000 2.276 153 K HA 0.567 4.887 4.320 -0.000 0.000 0.283 153 K C 1.248 177.804 176.600 -0.074 0.000 1.044 153 K CA -0.499 55.739 56.287 -0.082 0.000 0.944 153 K CB 1.132 33.575 32.500 -0.094 0.000 1.012 153 K HN 0.162 nan 8.250 nan 0.000 0.472 154 L N 1.937 123.012 121.223 -0.246 0.000 2.554 154 L HA 0.019 4.359 4.340 -0.000 0.000 0.225 154 L C 0.368 177.080 176.870 -0.263 0.000 1.104 154 L CA 0.072 54.743 54.840 -0.282 0.000 0.866 154 L CB -0.257 41.474 42.059 -0.547 0.000 1.047 154 L HN 0.750 nan 8.230 nan 0.000 0.468 155 N N -3.008 115.547 118.700 -0.241 0.000 3.204 155 N HA 0.045 4.785 4.740 -0.000 0.000 0.285 155 N C 0.269 175.696 175.510 -0.139 0.000 1.536 155 N CA -0.698 52.241 53.050 -0.185 0.000 0.832 155 N CB 0.474 38.844 38.487 -0.196 0.000 1.645 155 N HN -0.244 nan 8.380 nan 0.000 0.586 156 E N -0.544 119.594 120.200 -0.104 0.000 2.299 156 E HA 0.038 4.387 4.350 -0.000 0.000 0.193 156 E C 0.920 177.482 176.600 -0.064 0.000 0.998 156 E CA 0.363 56.721 56.400 -0.071 0.000 0.851 156 E CB 0.228 29.896 29.700 -0.053 0.000 0.795 156 E HN 0.387 nan 8.360 nan 0.000 0.492 157 V N 1.042 120.911 119.914 -0.075 0.000 2.871 157 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 157 V C 0.585 176.638 176.094 -0.067 0.000 1.082 157 V CA 1.161 63.428 62.300 -0.054 0.000 1.105 157 V CB -0.025 31.771 31.823 -0.046 0.000 0.713 157 V HN 0.107 nan 8.190 nan 0.000 0.473 158 T N 1.554 116.025 114.554 -0.139 0.000 2.727 158 T HA 0.194 4.544 4.350 -0.000 0.000 0.295 158 T C 0.788 175.425 174.700 -0.106 0.000 0.915 158 T CA -0.180 61.789 62.100 -0.217 0.000 1.066 158 T CB 0.851 69.433 68.868 -0.477 0.000 0.891 158 T HN 0.225 nan 8.240 nan 0.000 0.516 159 K N 1.945 122.348 120.400 0.006 0.000 2.362 159 K HA 0.121 4.441 4.320 -0.000 0.000 0.203 159 K C 0.891 177.577 176.600 0.144 0.000 1.198 159 K CA 0.089 56.415 56.287 0.065 0.000 0.908 159 K CB 0.067 32.603 32.500 0.061 0.000 1.236 159 K HN 0.692 nan 8.250 nan 0.000 0.487 160 E N 3.145 123.482 120.200 0.228 0.000 2.465 160 E HA -0.060 4.290 4.350 -0.000 0.000 0.260 160 E C -0.841 175.937 176.600 0.297 0.000 0.980 160 E CA 0.063 56.615 56.400 0.254 0.000 0.927 160 E CB 0.428 30.300 29.700 0.286 0.000 0.934 160 E HN -0.027 nan 8.360 nan 0.000 0.459 161 D N 5.131 125.647 120.400 0.193 0.000 2.343 161 D HA 0.073 4.713 4.640 -0.000 0.000 0.255 161 D C 0.689 177.076 176.300 0.145 0.000 1.187 161 D CA 0.089 54.191 54.000 0.169 0.000 0.875 161 D CB 1.225 42.090 40.800 0.108 0.000 1.136 161 D HN 0.530 nan 8.370 nan 0.000 0.469 162 L N 2.068 123.369 121.223 0.129 0.000 2.515 162 L HA 0.267 4.607 4.340 -0.000 0.000 0.223 162 L C 0.679 177.585 176.870 0.060 0.000 1.079 162 L CA 0.354 55.246 54.840 0.088 0.000 0.857 162 L CB 0.318 42.381 42.059 0.007 0.000 1.050 162 L HN 0.216 nan 8.230 nan 0.000 0.476 163 I N 0.069 120.636 120.570 -0.006 0.000 2.474 163 I HA 0.296 4.466 4.170 -0.000 0.000 0.294 163 I C -0.347 175.725 176.117 -0.075 0.000 1.005 163 I CA -0.438 60.750 61.300 -0.186 0.000 1.113 163 I CB 2.179 39.943 38.000 -0.393 0.000 1.289 163 I HN -0.116 nan 8.210 nan 0.000 0.436 164 K N 5.251 125.634 120.400 -0.029 0.000 2.378 164 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 164 K C -1.426 175.181 176.600 0.011 0.000 0.931 164 K CA -0.833 55.476 56.287 0.036 0.000 0.794 164 K CB 2.098 34.673 32.500 0.126 0.000 1.181 164 K HN 0.440 nan 8.250 nan 0.000 0.425 165 L N 5.621 126.838 121.223 -0.009 0.000 2.360 165 L HA 0.366 4.706 4.340 -0.000 0.000 0.276 165 L C -0.748 176.136 176.870 0.024 0.000 1.121 165 L CA 0.112 54.951 54.840 -0.002 0.000 0.845 165 L CB 1.023 43.066 42.059 -0.027 0.000 1.143 165 L HN 0.467 nan 8.230 nan 0.000 0.452 166 V N 1.669 121.631 119.914 0.079 0.000 3.158 166 V HA 0.717 4.837 4.120 -0.000 0.000 0.311 166 V C -0.925 175.219 176.094 0.083 0.000 1.181 166 V CA -0.856 61.486 62.300 0.072 0.000 1.054 166 V CB 1.858 33.795 31.823 0.190 0.000 1.085 166 V HN 0.839 nan 8.190 nan 0.000 0.446 167 E N 0.230 120.373 120.200 -0.096 0.000 2.260 167 E HA 0.631 4.981 4.350 -0.000 0.000 0.266 167 E C -2.375 174.026 176.600 -0.333 0.000 0.887 167 E CA -0.495 55.858 56.400 -0.077 0.000 0.777 167 E CB 2.015 31.641 29.700 -0.123 0.000 1.205 167 E HN 0.657 nan 8.360 nan 0.000 0.414 168 F N 2.467 122.573 119.950 0.260 0.000 2.561 168 F HA 0.247 4.774 4.527 -0.000 0.000 0.313 168 F C -0.116 175.817 175.800 0.221 0.000 1.126 168 F CA -0.785 57.323 58.000 0.180 0.000 0.918 168 F CB 1.752 40.777 39.000 0.042 0.000 1.199 168 F HN 0.456 nan 8.300 nan 0.000 0.444 169 D N 2.951 123.512 120.400 0.267 0.000 2.708 169 D HA -0.241 4.399 4.640 -0.000 0.000 0.236 169 D C -0.225 176.153 176.300 0.129 0.000 1.146 169 D CA 0.806 54.913 54.000 0.179 0.000 0.662 169 D CB -0.837 40.080 40.800 0.195 0.000 1.059 169 D HN 0.799 nan 8.370 nan 0.000 0.428 170 N N -1.004 117.746 118.700 0.083 0.000 2.714 170 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 170 N C -0.410 175.115 175.510 0.025 0.000 1.117 170 N CA 1.342 54.414 53.050 0.037 0.000 0.719 170 N CB -0.567 37.934 38.487 0.022 0.000 1.081 170 N HN 0.608 nan 8.380 nan 0.000 0.557 171 K N 0.539 120.975 120.400 0.060 0.000 2.385 171 K HA 0.356 4.676 4.320 -0.000 0.000 0.248 171 K C -0.141 176.366 176.600 -0.155 0.000 0.955 171 K CA -0.644 55.598 56.287 -0.075 0.000 0.816 171 K CB 2.093 34.514 32.500 -0.132 0.000 1.250 171 K HN 0.053 nan 8.250 nan 0.000 0.434 172 E N 1.515 121.543 120.200 -0.286 0.000 2.289 172 E HA 0.206 4.556 4.350 -0.000 0.000 0.278 172 E C -1.072 175.261 176.600 -0.446 0.000 1.032 172 E CA 0.018 56.281 56.400 -0.227 0.000 0.854 172 E CB 0.608 30.209 29.700 -0.165 0.000 1.046 172 E HN 0.306 nan 8.360 nan 0.000 0.409 173 Y N 0.915 121.259 120.300 0.073 0.000 2.609 173 Y HA 0.388 4.938 4.550 -0.000 0.000 0.342 173 Y C -0.246 175.683 175.900 0.049 0.000 1.058 173 Y CA -0.955 57.196 58.100 0.085 0.000 1.055 173 Y CB 1.255 39.816 38.460 0.168 0.000 1.292 173 Y HN 0.282 nan 8.280 nan 0.000 0.476 174 L N 1.861 123.194 121.223 0.184 0.000 2.309 174 L HA 0.358 4.698 4.340 -0.000 0.000 0.282 174 L C -1.189 175.719 176.870 0.063 0.000 1.036 174 L CA -0.956 53.874 54.840 -0.017 0.000 0.806 174 L CB 1.143 43.012 42.059 -0.317 0.000 1.220 174 L HN 0.590 nan 8.230 nan 0.000 0.429 175 Y N 2.826 123.066 120.300 -0.099 0.000 2.353 175 Y HA 0.360 4.910 4.550 -0.000 0.000 0.340 175 Y C -1.135 174.663 175.900 -0.171 0.000 0.972 175 Y CA -0.544 57.533 58.100 -0.037 0.000 1.157 175 Y CB 0.509 38.985 38.460 0.027 0.000 1.157 175 Y HN 0.298 nan 8.280 nan 0.000 0.495 176 Y N 5.670 125.615 120.300 -0.591 0.000 2.335 176 Y HA 0.281 4.831 4.550 -0.000 0.000 0.339 176 Y C 0.299 175.804 175.900 -0.660 0.000 0.987 176 Y CA -0.904 56.831 58.100 -0.607 0.000 1.140 176 Y CB 1.071 39.139 38.460 -0.654 0.000 1.173 176 Y HN 0.493 nan 8.280 nan 0.000 0.486 177 K N 2.688 122.949 120.400 -0.232 0.000 2.472 177 K HA 0.335 4.655 4.320 -0.000 0.000 0.280 177 K C -0.285 176.371 176.600 0.094 0.000 1.028 177 K CA -0.131 56.110 56.287 -0.076 0.000 1.045 177 K CB 0.311 32.868 32.500 0.095 0.000 0.902 177 K HN 0.804 nan 8.250 nan 0.000 0.478 178 A N 6.187 129.025 122.820 0.030 0.000 2.302 178 A HA 0.346 4.666 4.320 -0.000 0.000 0.295 178 A C -0.268 177.345 177.584 0.048 0.000 1.235 178 A CA -0.556 51.520 52.037 0.066 0.000 0.876 178 A CB -0.007 19.019 19.000 0.043 0.000 1.133 178 A HN 0.755 nan 8.150 nan 0.000 0.533 179 I N 2.609 123.204 120.570 0.042 0.000 2.339 179 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 179 I C 0.662 176.771 176.117 -0.014 0.000 0.994 179 I CA -0.286 61.010 61.300 -0.007 0.000 1.191 179 I CB 1.807 39.795 38.000 -0.020 0.000 1.343 179 I HN 0.680 nan 8.210 nan 0.000 0.458 180 A N 8.703 131.504 122.820 -0.032 0.000 2.328 180 A HA 0.716 5.036 4.320 -0.000 0.000 0.284 180 A C -2.440 175.116 177.584 -0.047 0.000 1.160 180 A CA -1.283 50.742 52.037 -0.021 0.000 0.818 180 A CB -0.049 18.941 19.000 -0.018 0.000 1.087 180 A HN 0.393 nan 8.150 nan 0.000 0.504 181 P HA 0.346 nan 4.420 nan 0.000 0.278 181 P C -0.372 176.902 177.300 -0.043 0.000 1.266 181 P CA -0.309 62.761 63.100 -0.050 0.000 0.807 181 P CB 0.965 32.642 31.700 -0.037 0.000 1.094 182 D N -0.687 119.680 120.400 -0.055 0.000 2.423 182 D HA 0.174 4.814 4.640 -0.000 0.000 0.212 182 D C 0.319 176.604 176.300 -0.025 0.000 1.060 182 D CA 0.920 54.897 54.000 -0.039 0.000 0.872 182 D CB 0.651 41.422 40.800 -0.048 0.000 1.012 182 D HN 0.200 nan 8.370 nan 0.000 0.503 183 I N 0.867 121.407 120.570 -0.050 0.000 2.619 183 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 183 I C -0.737 175.328 176.117 -0.086 0.000 1.100 183 I CA -0.979 60.290 61.300 -0.052 0.000 1.043 183 I CB 1.992 39.937 38.000 -0.091 0.000 1.239 183 I HN -0.266 nan 8.210 nan 0.000 0.420 184 A N 5.631 128.447 122.820 -0.007 0.000 2.355 184 A HA 0.832 5.152 4.320 -0.000 0.000 0.317 184 A C -1.414 176.300 177.584 0.218 0.000 1.094 184 A CA -0.373 51.679 52.037 0.026 0.000 0.764 184 A CB 1.086 20.127 19.000 0.067 0.000 1.230 184 A HN 0.393 nan 8.150 nan 0.000 0.448 185 F N 3.209 123.178 119.950 0.033 0.000 2.293 185 F HA 0.450 4.977 4.527 0.000 0.000 0.370 185 F C 0.483 176.305 175.800 0.035 0.000 1.090 185 F CA -1.338 56.681 58.000 0.031 0.000 1.133 185 F CB 0.349 39.368 39.000 0.033 0.000 1.360 185 F HN 0.578 nan 8.300 nan 0.000 0.489 186 I N 0.508 121.205 120.570 0.212 0.000 3.436 186 I HA 0.843 5.013 4.170 -0.000 0.000 0.296 186 I C -0.671 175.492 176.117 0.077 0.000 1.143 186 I CA -1.268 60.117 61.300 0.143 0.000 1.009 186 I CB 2.579 40.660 38.000 0.135 0.000 1.301 186 I HN 0.435 nan 8.210 nan 0.000 0.503 187 R N 1.057 121.588 120.500 0.052 0.000 2.664 187 R HA 0.805 5.145 4.340 -0.000 0.000 0.266 187 R C -2.114 174.034 176.300 -0.254 0.000 1.046 187 R CA -0.293 55.772 56.100 -0.058 0.000 0.885 187 R CB 2.150 32.434 30.300 -0.027 0.000 1.254 187 R HN 1.121 nan 8.270 nan 0.000 0.465 188 A N 0.876 123.442 122.820 -0.424 0.000 2.588 188 A HA 0.485 4.805 4.320 -0.000 0.000 0.290 188 A C 0.054 177.353 177.584 -0.476 0.000 1.136 188 A CA -0.462 51.037 52.037 -0.897 0.000 0.681 188 A CB 1.381 19.848 19.000 -0.888 0.000 1.282 188 A HN 0.682 nan 8.150 nan 0.000 0.421 189 T N 0.554 114.850 114.554 -0.430 0.000 2.732 189 T HA 0.171 4.521 4.350 -0.000 0.000 0.261 189 T C 0.504 175.123 174.700 -0.136 0.000 1.040 189 T CA 2.104 64.089 62.100 -0.191 0.000 1.145 189 T CB -0.155 68.652 68.868 -0.102 0.000 0.866 189 T HN 0.784 nan 8.240 nan 0.000 0.427 190 T N 1.014 115.491 114.554 -0.128 0.000 2.916 190 T HA 0.580 4.930 4.350 -0.000 0.000 0.305 190 T C -0.780 173.888 174.700 -0.054 0.000 1.119 190 T CA -0.952 61.109 62.100 -0.065 0.000 1.008 190 T CB 1.754 70.607 68.868 -0.025 0.000 1.129 190 T HN 0.574 nan 8.240 nan 0.000 0.480 191 C N 1.403 120.686 119.300 -0.028 0.000 2.994 191 C HA 0.937 5.397 4.460 -0.000 0.000 0.304 191 C C -0.302 174.705 174.990 0.029 0.000 1.273 191 C CA -1.085 57.937 59.018 0.006 0.000 1.537 191 C CB 1.253 28.985 27.740 -0.013 0.000 2.001 191 C HN 0.960 nan 8.230 nan 0.000 0.471 192 D N 1.041 121.482 120.400 0.069 0.000 2.447 192 D HA 0.264 4.904 4.640 -0.000 0.000 0.265 192 D C 1.272 177.610 176.300 0.064 0.000 1.250 192 D CA 0.194 54.231 54.000 0.062 0.000 1.046 192 D CB 0.597 41.434 40.800 0.062 0.000 1.095 192 D HN 0.860 nan 8.370 nan 0.000 0.555 193 S N -1.394 114.338 115.700 0.052 0.000 2.507 193 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 193 S C 0.967 175.607 174.600 0.066 0.000 0.988 193 S CA 0.665 58.892 58.200 0.045 0.000 0.944 193 S CB -0.554 62.665 63.200 0.032 0.000 0.762 193 S HN 0.604 nan 8.310 nan 0.000 0.526 194 E N 0.335 120.609 120.200 0.122 0.000 2.481 194 E HA 0.327 4.677 4.350 -0.000 0.000 0.198 194 E C 1.094 177.755 176.600 0.103 0.000 1.027 194 E CA 0.168 56.664 56.400 0.161 0.000 0.900 194 E CB 0.357 30.226 29.700 0.280 0.000 0.993 194 E HN 0.661 nan 8.360 nan 0.000 0.482 195 G N 1.105 109.947 108.800 0.070 0.000 2.176 195 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.232 195 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.232 195 G C -0.176 174.669 174.900 -0.092 0.000 0.986 195 G CA -0.417 44.657 45.100 -0.043 0.000 0.643 195 G HN 0.268 nan 8.290 nan 0.000 0.522 196 Y N 1.496 121.767 120.300 -0.049 0.000 2.569 196 Y HA 0.424 4.974 4.550 -0.000 0.000 0.332 196 Y C 0.922 176.810 175.900 -0.021 0.000 1.120 196 Y CA 0.705 58.774 58.100 -0.051 0.000 1.416 196 Y CB 0.897 39.334 38.460 -0.038 0.000 1.210 196 Y HN 0.507 nan 8.280 nan 0.000 0.528 197 A N 2.878 125.757 122.820 0.098 0.000 2.342 197 A HA 0.761 5.081 4.320 -0.000 0.000 0.323 197 A C -0.226 177.463 177.584 0.176 0.000 1.125 197 A CA -0.602 51.483 52.037 0.080 0.000 0.785 197 A CB 0.765 19.778 19.000 0.023 0.000 1.221 197 A HN 0.664 nan 8.150 nan 0.000 0.463 198 T N -1.788 112.836 114.554 0.115 0.000 2.932 198 T HA 0.696 5.046 4.350 -0.000 0.000 0.289 198 T C -0.486 174.303 174.700 0.148 0.000 1.039 198 T CA -0.361 61.874 62.100 0.224 0.000 1.024 198 T CB 0.970 69.921 68.868 0.138 0.000 1.090 198 T HN 0.349 nan 8.240 nan 0.000 0.496 199 F N 0.862 120.870 119.950 0.097 0.000 2.850 199 F HA 0.212 4.739 4.527 -0.000 0.000 0.329 199 F C 2.177 178.033 175.800 0.093 0.000 1.182 199 F CA -0.828 57.249 58.000 0.129 0.000 1.270 199 F CB 0.622 39.795 39.000 0.289 0.000 0.979 199 F HN 0.746 nan 8.300 nan 0.000 0.506 200 E N 0.016 120.320 120.200 0.173 0.000 2.130 200 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 200 E C 0.391 177.024 176.600 0.053 0.000 0.998 200 E CA 1.853 58.311 56.400 0.097 0.000 0.806 200 E CB -0.163 29.568 29.700 0.051 0.000 0.738 200 E HN 0.336 nan 8.360 nan 0.000 0.459 201 D N 0.678 121.099 120.400 0.036 0.000 2.369 201 D HA 0.078 4.718 4.640 -0.000 0.000 0.211 201 D C -0.080 176.229 176.300 0.014 0.000 1.077 201 D CA 0.015 54.026 54.000 0.017 0.000 0.842 201 D CB 0.276 41.078 40.800 0.004 0.000 0.947 201 D HN 0.112 nan 8.370 nan 0.000 0.509 202 E N 0.605 120.827 120.200 0.036 0.000 2.390 202 E HA 0.058 4.408 4.350 -0.000 0.000 0.261 202 E C 1.603 178.203 176.600 -0.000 0.000 1.076 202 E CA -0.264 56.159 56.400 0.039 0.000 0.905 202 E CB 1.748 31.530 29.700 0.136 0.000 0.984 202 E HN -0.185 nan 8.360 nan 0.000 0.427 203 V N 1.670 121.576 119.914 -0.014 0.000 2.490 203 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 203 V C 1.197 177.222 176.094 -0.114 0.000 1.061 203 V CA 2.130 64.402 62.300 -0.047 0.000 1.064 203 V CB -0.776 31.025 31.823 -0.036 0.000 0.670 203 V HN 0.696 nan 8.190 nan 0.000 0.461 204 M N -3.874 115.649 119.600 -0.128 0.000 3.767 204 M HA 0.359 4.839 4.480 -0.000 0.000 0.327 204 M C -0.218 175.934 176.300 -0.246 0.000 1.529 204 M CA -0.541 54.579 55.300 -0.300 0.000 0.871 204 M CB 1.180 33.672 32.600 -0.180 0.000 2.008 204 M HN -0.189 nan 8.290 nan 0.000 0.485 205 Y N 0.009 120.288 120.300 -0.034 0.000 2.535 205 Y HA 0.530 5.080 4.550 -0.000 0.000 0.266 205 Y C 1.276 177.124 175.900 -0.087 0.000 1.088 205 Y CA -0.110 57.887 58.100 -0.171 0.000 1.285 205 Y CB -0.149 38.111 38.460 -0.333 0.000 1.166 205 Y HN 0.620 nan 8.280 nan 0.000 0.525 206 L N -0.006 121.276 121.223 0.099 0.000 6.780 206 L HA -0.378 3.962 4.340 -0.000 0.000 0.053 206 L C 0.200 177.111 176.870 0.069 0.000 1.778 206 L CA 1.674 56.567 54.840 0.088 0.000 1.657 206 L CB -0.794 41.324 42.059 0.100 0.000 2.738 206 L HN 0.331 nan 8.230 nan 0.000 1.065 207 D N -0.276 120.164 120.400 0.067 0.000 2.892 207 D HA 0.435 5.075 4.640 -0.000 0.000 0.291 207 D C 0.851 177.172 176.300 0.034 0.000 1.341 207 D CA 0.347 54.370 54.000 0.039 0.000 0.844 207 D CB 0.629 41.459 40.800 0.050 0.000 1.093 207 D HN 0.622 nan 8.370 nan 0.000 0.480 208 A N 0.417 123.261 122.820 0.040 0.000 1.908 208 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 208 A C 1.936 179.542 177.584 0.038 0.000 1.181 208 A CA 1.184 53.274 52.037 0.088 0.000 0.627 208 A CB -0.506 18.628 19.000 0.223 0.000 0.818 208 A HN 0.373 nan 8.150 nan 0.000 0.445 209 L N -0.272 120.927 121.223 -0.040 0.000 2.056 209 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 209 L C 2.370 179.225 176.870 -0.026 0.000 1.078 209 L CA 1.776 56.583 54.840 -0.057 0.000 0.749 209 L CB -0.508 41.481 42.059 -0.116 0.000 0.901 209 L HN 0.136 nan 8.230 nan 0.000 0.433 210 V N 0.097 120.001 119.914 -0.016 0.000 2.287 210 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 210 V C 2.527 178.635 176.094 0.023 0.000 1.053 210 V CA 2.360 64.662 62.300 0.004 0.000 1.027 210 V CB -0.493 31.335 31.823 0.008 0.000 0.646 210 V HN 0.441 nan 8.190 nan 0.000 0.447 211 I N 0.271 120.860 120.570 0.031 0.000 2.163 211 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 211 I C 2.699 178.844 176.117 0.047 0.000 1.085 211 I CA 1.666 62.991 61.300 0.041 0.000 1.347 211 I CB -0.701 37.330 38.000 0.052 0.000 1.044 211 I HN 0.316 nan 8.210 nan 0.000 0.408 212 A N 0.246 123.092 122.820 0.042 0.000 1.883 212 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 212 A C 2.261 179.881 177.584 0.060 0.000 1.186 212 A CA 1.790 53.850 52.037 0.039 0.000 0.624 212 A CB -0.713 18.285 19.000 -0.002 0.000 0.822 212 A HN 0.502 nan 8.150 nan 0.000 0.444 213 Q N -0.803 119.022 119.800 0.041 0.000 2.084 213 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 213 Q C 2.466 178.533 176.000 0.112 0.000 0.978 213 Q CA 1.298 57.145 55.803 0.074 0.000 0.844 213 Q CB -0.396 28.365 28.738 0.038 0.000 0.898 213 Q HN 0.690 nan 8.270 nan 0.000 0.426 214 A N 0.395 123.264 122.820 0.082 0.000 1.883 214 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 214 A C 2.327 179.963 177.584 0.088 0.000 1.186 214 A CA 1.526 53.613 52.037 0.084 0.000 0.624 214 A CB -0.708 18.326 19.000 0.057 0.000 0.822 214 A HN 0.214 nan 8.150 nan 0.000 0.444 215 V N -0.790 119.172 119.914 0.081 0.000 2.323 215 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 215 V C 2.430 178.579 176.094 0.091 0.000 1.041 215 V CA 2.376 64.716 62.300 0.067 0.000 1.025 215 V CB -1.023 30.834 31.823 0.056 0.000 0.656 215 V HN 0.826 nan 8.190 nan 0.000 0.451 216 H N 1.305 120.396 119.070 0.036 0.000 2.289 216 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 216 H C 2.000 177.362 175.328 0.057 0.000 1.091 216 H CA 2.239 58.312 56.048 0.042 0.000 1.274 216 H CB -0.067 29.721 29.762 0.044 0.000 1.364 216 H HN 0.329 nan 8.280 nan 0.000 0.490 217 N N 0.183 118.948 118.700 0.108 0.000 2.521 217 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 217 N C 0.595 176.226 175.510 0.202 0.000 1.146 217 N CA 0.532 53.634 53.050 0.087 0.000 0.893 217 N CB -0.160 38.368 38.487 0.069 0.000 0.975 217 N HN 0.425 nan 8.380 nan 0.000 0.451 218 N N 0.059 118.819 118.700 0.099 0.000 2.273 218 N HA 0.115 4.855 4.740 -0.000 0.000 0.231 218 N C 0.575 176.079 175.510 -0.010 0.000 1.134 218 N CA 0.189 53.267 53.050 0.047 0.000 0.856 218 N CB -0.061 38.434 38.487 0.015 0.000 1.068 218 N HN 0.127 nan 8.380 nan 0.000 0.510 219 G N -0.750 108.021 108.800 -0.048 0.000 2.203 219 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.263 219 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.263 219 G C 0.513 175.385 174.900 -0.046 0.000 1.012 219 G CA 0.384 45.440 45.100 -0.072 0.000 0.749 219 G HN 0.632 nan 8.290 nan 0.000 0.512 220 G N -1.156 107.626 108.800 -0.029 0.000 2.532 220 G HA2 0.664 4.624 3.960 -0.000 0.000 0.291 220 G HA3 0.664 4.624 3.960 -0.000 0.000 0.291 220 G C -0.053 174.857 174.900 0.017 0.000 1.349 220 G CA -0.973 44.126 45.100 -0.002 0.000 1.038 220 G HN 0.641 nan 8.290 nan 0.000 0.518 221 I N 0.342 120.931 120.570 0.033 0.000 2.382 221 I HA 0.243 4.413 4.170 -0.000 0.000 0.286 221 I C -0.552 175.602 176.117 0.061 0.000 1.002 221 I CA -0.660 60.665 61.300 0.041 0.000 1.135 221 I CB 2.026 40.051 38.000 0.041 0.000 1.288 221 I HN -0.055 nan 8.210 nan 0.000 0.448 222 V N 7.554 127.509 119.914 0.068 0.000 2.385 222 V HA 0.364 4.484 4.120 -0.000 0.000 0.269 222 V C 0.261 176.396 176.094 0.069 0.000 1.043 222 V CA -0.186 62.160 62.300 0.077 0.000 0.906 222 V CB 1.116 32.981 31.823 0.069 0.000 0.995 222 V HN 0.644 nan 8.190 nan 0.000 0.467 223 M N 6.530 126.202 119.600 0.120 0.000 2.227 223 M HA 0.591 5.071 4.480 -0.000 0.000 0.335 223 M C -0.637 175.711 176.300 0.081 0.000 1.053 223 M CA -0.188 55.172 55.300 0.101 0.000 0.973 223 M CB 1.919 34.623 32.600 0.173 0.000 1.623 223 M HN 0.581 nan 8.290 nan 0.000 0.434 224 M N 3.451 123.060 119.600 0.015 0.000 2.197 224 M HA 0.342 4.822 4.480 -0.000 0.000 0.301 224 M C -1.128 175.145 176.300 -0.045 0.000 0.987 224 M CA -0.447 54.849 55.300 -0.007 0.000 0.921 224 M CB 2.144 34.732 32.600 -0.020 0.000 1.569 224 M HN 0.749 nan 8.290 nan 0.000 0.431 225 Q N 4.309 124.074 119.800 -0.059 0.000 2.261 225 Q HA 0.631 4.971 4.340 -0.000 0.000 0.252 225 Q C -1.377 174.570 176.000 -0.089 0.000 0.915 225 Q CA -0.615 55.142 55.803 -0.076 0.000 0.915 225 Q CB 1.256 29.945 28.738 -0.081 0.000 1.204 225 Q HN 0.688 nan 8.270 nan 0.000 0.421 226 V N 0.646 120.510 119.914 -0.082 0.000 3.102 226 V HA 0.311 4.430 4.120 -0.000 0.000 0.312 226 V C 0.333 176.385 176.094 -0.070 0.000 1.135 226 V CA -0.791 61.451 62.300 -0.096 0.000 1.022 226 V CB 1.846 33.613 31.823 -0.094 0.000 1.056 226 V HN 0.937 nan 8.190 nan 0.000 0.436 227 Q N 1.159 120.918 119.800 -0.069 0.000 2.212 227 Q HA 0.127 4.467 4.340 -0.000 0.000 0.199 227 Q C 0.343 176.322 176.000 -0.035 0.000 0.950 227 Q CA 1.539 57.314 55.803 -0.046 0.000 0.863 227 Q CB 0.329 29.042 28.738 -0.042 0.000 0.944 227 Q HN 0.915 nan 8.270 nan 0.000 0.465 228 K N -1.259 119.119 120.400 -0.037 0.000 2.579 228 K HA 0.452 4.772 4.320 -0.000 0.000 0.284 228 K C -1.269 175.317 176.600 -0.023 0.000 0.990 228 K CA -0.703 55.569 56.287 -0.025 0.000 0.880 228 K CB 1.195 33.684 32.500 -0.018 0.000 1.488 228 K HN -0.104 nan 8.250 nan 0.000 0.425 229 M N 2.085 121.676 119.600 -0.014 0.000 2.528 229 M HA 0.442 4.922 4.480 -0.000 0.000 0.321 229 M C -0.442 175.857 176.300 -0.001 0.000 1.153 229 M CA -1.114 54.181 55.300 -0.007 0.000 0.951 229 M CB 2.209 34.806 32.600 -0.005 0.000 1.705 229 M HN 0.658 nan 8.290 nan 0.000 0.451 230 V N -0.788 119.129 119.914 0.005 0.000 3.155 230 V HA 0.618 4.738 4.120 -0.000 0.000 0.313 230 V C -0.488 175.611 176.094 0.008 0.000 1.162 230 V CA -1.173 61.131 62.300 0.005 0.000 1.048 230 V CB 1.788 33.614 31.823 0.007 0.000 1.092 230 V HN 0.900 nan 8.190 nan 0.000 0.447 231 K N 1.552 121.953 120.400 0.003 0.000 2.436 231 K HA 0.140 4.460 4.320 -0.000 0.000 0.275 231 K C 0.326 176.925 176.600 -0.002 0.000 0.999 231 K CA -0.243 56.044 56.287 0.001 0.000 0.980 231 K CB 0.486 32.984 32.500 -0.004 0.000 0.919 231 K HN 0.900 nan 8.250 nan 0.000 0.484 232 K N 2.880 123.279 120.400 -0.001 0.000 2.530 232 K HA -0.144 4.176 4.320 -0.000 0.000 0.280 232 K C -0.012 176.562 176.600 -0.043 0.000 1.004 232 K CA 1.065 57.346 56.287 -0.010 0.000 1.071 232 K CB -0.018 32.480 32.500 -0.003 0.000 0.876 232 K HN 0.810 nan 8.250 nan 0.000 0.487 233 A N 2.430 125.200 122.820 -0.083 0.000 2.860 233 A HA -0.177 4.143 4.320 -0.000 0.000 0.267 233 A C 0.866 178.401 177.584 -0.083 0.000 1.421 233 A CA 1.781 53.744 52.037 -0.123 0.000 0.831 233 A CB -2.648 16.276 19.000 -0.126 0.000 1.041 233 A HN 1.025 nan 8.150 nan 0.000 0.623 234 T N -2.558 111.966 114.554 -0.051 0.000 3.069 234 T HA 0.568 4.918 4.350 -0.000 0.000 0.252 234 T C 0.531 175.220 174.700 -0.018 0.000 1.053 234 T CA 0.388 62.468 62.100 -0.034 0.000 0.964 234 T CB -0.116 68.741 68.868 -0.018 0.000 1.005 234 T HN 0.552 nan 8.240 nan 0.000 0.532 235 L N 2.028 123.244 121.223 -0.012 0.000 2.375 235 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 235 L C 0.723 177.615 176.870 0.037 0.000 1.107 235 L CA -1.210 53.648 54.840 0.030 0.000 0.806 235 L CB 0.535 42.623 42.059 0.050 0.000 1.146 235 L HN 0.278 nan 8.230 nan 0.000 0.447 236 H N 4.847 123.910 119.070 -0.011 0.000 2.929 236 H HA 0.059 4.615 4.556 -0.000 0.000 0.317 236 H C -1.730 173.590 175.328 -0.014 0.000 1.031 236 H CA -1.615 54.423 56.048 -0.016 0.000 1.466 236 H CB 1.480 31.236 29.762 -0.010 0.000 1.482 236 H HN 0.357 nan 8.280 nan 0.000 0.561 237 P HA -0.139 nan 4.420 nan 0.000 0.218 237 P C 0.666 178.067 177.300 0.168 0.000 1.148 237 P CA 1.366 64.509 63.100 0.072 0.000 0.822 237 P CB 0.368 32.050 31.700 -0.029 0.000 0.784 238 K N -0.590 120.031 120.400 0.368 0.000 2.459 238 K HA 0.122 4.442 4.320 -0.000 0.000 0.193 238 K C 1.743 178.358 176.600 0.024 0.000 1.030 238 K CA 0.455 56.829 56.287 0.145 0.000 1.026 238 K CB -0.008 32.554 32.500 0.103 0.000 0.809 238 K HN 0.077 nan 8.250 nan 0.000 0.504 239 S N 0.482 116.220 115.700 0.064 0.000 2.503 239 S HA 0.052 4.522 4.470 -0.000 0.000 0.215 239 S C 0.576 175.215 174.600 0.065 0.000 1.003 239 S CA -0.175 58.042 58.200 0.028 0.000 0.910 239 S CB 0.441 63.663 63.200 0.037 0.000 0.790 239 S HN -0.060 nan 8.310 nan 0.000 0.514 240 V N 4.060 124.024 119.914 0.084 0.000 2.446 240 V HA 0.144 4.264 4.120 -0.000 0.000 0.276 240 V C 1.154 177.264 176.094 0.026 0.000 1.030 240 V CA 0.157 62.518 62.300 0.101 0.000 1.033 240 V CB 0.534 32.444 31.823 0.145 0.000 0.993 240 V HN 0.296 nan 8.190 nan 0.000 0.477 241 R N 4.076 124.592 120.500 0.026 0.000 2.206 241 R HA 0.386 4.726 4.340 -0.000 0.000 0.198 241 R C 0.126 176.367 176.300 -0.098 0.000 0.986 241 R CA 0.548 56.559 56.100 -0.148 0.000 1.029 241 R CB 0.374 30.408 30.300 -0.444 0.000 0.966 241 R HN 0.555 nan 8.270 nan 0.000 0.487 242 I N 2.903 123.476 120.570 0.005 0.000 2.439 242 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 242 I C -2.504 173.465 176.117 -0.248 0.000 1.021 242 I CA -2.506 58.739 61.300 -0.092 0.000 1.091 242 I CB 2.469 40.469 38.000 -0.000 0.000 1.242 242 I HN -0.306 nan 8.210 nan 0.000 0.439 243 P HA 0.045 nan 4.420 nan 0.000 0.268 243 P C 1.062 177.617 177.300 -1.242 0.000 1.204 243 P CA 0.074 62.628 63.100 -0.911 0.000 0.768 243 P CB 0.893 31.924 31.700 -1.115 0.000 0.842 244 G N 2.601 110.281 108.800 -1.867 0.000 2.462 244 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 244 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 244 G C 0.903 175.448 174.900 -0.592 0.000 1.121 244 G CA 0.569 45.035 45.100 -1.056 0.000 0.758 244 G HN 0.633 nan 8.290 nan 0.000 0.559 245 Y N -0.275 119.765 120.300 -0.434 0.000 2.571 245 Y HA 0.302 4.852 4.550 -0.000 0.000 0.294 245 Y C 2.042 177.759 175.900 -0.304 0.000 1.141 245 Y CA -0.107 57.849 58.100 -0.240 0.000 1.308 245 Y CB -0.427 37.938 38.460 -0.158 0.000 1.002 245 Y HN 0.110 nan 8.280 nan 0.000 0.551 246 L N 0.191 121.125 121.223 -0.482 0.000 2.492 246 L HA 0.105 4.445 4.340 -0.000 0.000 0.223 246 L C 0.025 176.802 176.870 -0.154 0.000 1.132 246 L CA -0.057 54.538 54.840 -0.408 0.000 0.850 246 L CB 0.075 41.891 42.059 -0.405 0.000 0.966 246 L HN 0.048 nan 8.230 nan 0.000 0.454 247 V N 0.001 119.825 119.914 -0.149 0.000 2.398 247 V HA 0.156 4.276 4.120 -0.000 0.000 0.286 247 V C 0.225 176.301 176.094 -0.029 0.000 1.026 247 V CA -0.438 61.818 62.300 -0.074 0.000 0.868 247 V CB 1.864 33.625 31.823 -0.104 0.000 0.982 247 V HN 0.104 nan 8.190 nan 0.000 0.443 248 D N 3.376 123.772 120.400 -0.007 0.000 2.379 248 D HA 0.303 4.943 4.640 -0.000 0.000 0.218 248 D C 0.242 176.504 176.300 -0.064 0.000 1.006 248 D CA 0.937 54.925 54.000 -0.021 0.000 0.893 248 D CB 1.372 42.164 40.800 -0.013 0.000 1.019 248 D HN 0.381 nan 8.370 nan 0.000 0.503 249 I N 1.221 121.756 120.570 -0.058 0.000 2.607 249 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 249 I C -0.967 175.124 176.117 -0.042 0.000 1.129 249 I CA -0.819 60.439 61.300 -0.071 0.000 1.042 249 I CB 3.263 41.203 38.000 -0.100 0.000 1.242 249 I HN -0.386 nan 8.210 nan 0.000 0.421 250 V N 6.362 126.252 119.914 -0.040 0.000 2.513 250 V HA 0.460 4.580 4.120 -0.000 0.000 0.299 250 V C -0.219 175.853 176.094 -0.036 0.000 1.035 250 V CA -0.689 61.589 62.300 -0.037 0.000 0.889 250 V CB 2.263 34.066 31.823 -0.033 0.000 0.988 250 V HN 0.396 nan 8.190 nan 0.000 0.440 251 V N 5.320 125.207 119.914 -0.045 0.000 2.384 251 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 251 V C -0.153 175.913 176.094 -0.046 0.000 1.020 251 V CA -0.641 61.632 62.300 -0.046 0.000 0.850 251 V CB 1.855 33.638 31.823 -0.067 0.000 0.987 251 V HN 0.602 nan 8.190 nan 0.000 0.436 252 V N 3.783 123.676 119.914 -0.035 0.000 2.383 252 V HA 0.359 4.479 4.120 -0.000 0.000 0.275 252 V C -0.223 175.853 176.094 -0.031 0.000 1.036 252 V CA -0.238 62.043 62.300 -0.033 0.000 0.889 252 V CB 1.541 33.349 31.823 -0.024 0.000 0.985 252 V HN 0.939 nan 8.190 nan 0.000 0.459 253 D N 7.420 127.799 120.400 -0.034 0.000 2.446 253 D HA 0.373 5.013 4.640 -0.000 0.000 0.251 253 D C -1.382 174.904 176.300 -0.023 0.000 1.137 253 D CA -2.159 51.825 54.000 -0.028 0.000 0.890 253 D CB 2.162 42.944 40.800 -0.030 0.000 1.071 253 D HN 0.214 nan 8.370 nan 0.000 0.528 254 P HA -0.071 nan 4.420 nan 0.000 0.221 254 P C 0.104 177.398 177.300 -0.010 0.000 1.145 254 P CA 0.782 63.874 63.100 -0.014 0.000 0.795 254 P CB 0.500 32.194 31.700 -0.011 0.000 0.775 255 D N -0.803 119.592 120.400 -0.008 0.000 2.342 255 D HA 0.012 4.652 4.640 -0.000 0.000 0.221 255 D C 0.926 177.226 176.300 0.001 0.000 1.101 255 D CA 0.028 54.027 54.000 -0.003 0.000 0.837 255 D CB -0.190 40.610 40.800 -0.001 0.000 0.938 255 D HN 0.330 nan 8.370 nan 0.000 0.508 256 Q N 1.282 121.079 119.800 -0.006 0.000 2.283 256 Q HA 0.026 4.366 4.340 -0.000 0.000 0.301 256 Q C -0.337 175.665 176.000 0.004 0.000 1.063 256 Q CA 0.386 56.186 55.803 -0.004 0.000 0.952 256 Q CB 0.582 29.306 28.738 -0.022 0.000 1.166 256 Q HN -0.087 nan 8.270 nan 0.000 0.381 257 S N 2.508 118.219 115.700 0.019 0.000 2.501 257 S HA 0.168 4.638 4.470 -0.000 0.000 0.301 257 S C 0.500 175.111 174.600 0.019 0.000 1.096 257 S CA -0.594 57.622 58.200 0.026 0.000 1.063 257 S CB 1.637 64.866 63.200 0.048 0.000 1.042 257 S HN 0.881 nan 8.310 nan 0.000 0.494 258 Q N 1.808 121.616 119.800 0.013 0.000 2.112 258 Q HA -0.019 4.321 4.340 -0.000 0.000 0.206 258 Q C -0.052 175.940 176.000 -0.014 0.000 0.987 258 Q CA 1.417 57.221 55.803 0.001 0.000 0.858 258 Q CB -0.096 28.647 28.738 0.008 0.000 0.905 258 Q HN 0.596 nan 8.270 nan 0.000 0.420 259 L N -1.787 119.435 121.223 -0.001 0.000 2.277 259 L HA 0.356 4.696 4.340 -0.000 0.000 0.254 259 L C -0.737 176.176 176.870 0.072 0.000 1.044 259 L CA -1.491 53.330 54.840 -0.032 0.000 0.842 259 L CB 0.705 42.749 42.059 -0.024 0.000 1.422 259 L HN -0.058 nan 8.230 nan 0.000 0.422 260 Y N 0.688 120.996 120.300 0.014 0.000 2.683 260 Y HA 0.294 4.844 4.550 -0.000 0.000 0.340 260 Y C 1.306 177.213 175.900 0.012 0.000 1.245 260 Y CA 0.607 58.715 58.100 0.013 0.000 1.485 260 Y CB 0.049 38.518 38.460 0.015 0.000 1.328 260 Y HN 0.728 nan 8.280 nan 0.000 0.603 261 G N -0.155 108.749 108.800 0.172 0.000 2.229 261 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.189 261 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.189 261 G C 0.985 175.922 174.900 0.061 0.000 1.000 261 G CA 0.185 45.340 45.100 0.092 0.000 0.663 261 G HN 1.660 nan 8.290 nan 0.000 0.493 262 G N 0.051 108.890 108.800 0.066 0.000 2.186 262 G HA2 0.123 4.083 3.960 -0.000 0.000 0.266 262 G HA3 0.123 4.083 3.960 -0.000 0.000 0.266 262 G C 1.034 175.954 174.900 0.034 0.000 0.982 262 G CA 1.332 46.458 45.100 0.043 0.000 0.670 262 G HN 2.328 nan 8.290 nan 0.000 0.533 263 A N 0.877 123.720 122.820 0.038 0.000 2.520 263 A HA 0.546 4.866 4.320 -0.000 0.000 0.235 263 A C -0.397 177.203 177.584 0.026 0.000 1.065 263 A CA 0.073 52.128 52.037 0.031 0.000 0.764 263 A CB 0.130 19.151 19.000 0.035 0.000 1.002 263 A HN 0.398 nan 8.150 nan 0.000 0.502 264 P HA 0.114 nan 4.420 nan 0.000 0.271 264 P C 0.206 177.517 177.300 0.018 0.000 1.233 264 P CA -0.275 62.835 63.100 0.015 0.000 0.789 264 P CB 0.428 32.134 31.700 0.010 0.000 0.951 265 V N 2.076 121.998 119.914 0.013 0.000 2.644 265 V HA -0.032 4.088 4.120 -0.000 0.000 0.305 265 V C 0.370 176.475 176.094 0.019 0.000 1.053 265 V CA 0.181 62.490 62.300 0.015 0.000 1.186 265 V CB -0.469 31.360 31.823 0.009 0.000 0.895 265 V HN 0.610 nan 8.190 nan 0.000 0.490 266 N N 6.525 125.247 118.700 0.037 0.000 2.469 266 N HA 0.338 5.078 4.740 -0.000 0.000 0.253 266 N C 0.705 176.246 175.510 0.051 0.000 0.970 266 N CA -0.567 52.519 53.050 0.061 0.000 0.940 266 N CB 1.247 39.800 38.487 0.110 0.000 1.128 266 N HN 0.669 nan 8.380 nan 0.000 0.503 267 R N 2.830 123.318 120.500 -0.021 0.000 2.276 267 R HA 0.021 4.361 4.340 -0.000 0.000 0.203 267 R C 0.902 177.223 176.300 0.036 0.000 1.017 267 R CA 0.457 56.567 56.100 0.016 0.000 1.010 267 R CB -0.272 30.093 30.300 0.108 0.000 0.900 267 R HN 0.531 nan 8.270 nan 0.000 0.469 268 F N 0.772 120.809 119.950 0.145 0.000 2.113 268 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 268 F C 2.316 178.149 175.800 0.055 0.000 1.103 268 F CA 0.784 58.850 58.000 0.111 0.000 1.248 268 F CB -0.648 38.391 39.000 0.065 0.000 0.999 268 F HN -0.139 nan 8.300 nan 0.000 0.475 269 I N -0.608 120.093 120.570 0.220 0.000 2.286 269 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 269 I C 2.263 178.414 176.117 0.056 0.000 1.115 269 I CA 1.261 62.625 61.300 0.107 0.000 1.392 269 I CB -0.571 37.476 38.000 0.078 0.000 1.065 269 I HN 0.040 nan 8.210 nan 0.000 0.418 270 S N 0.183 115.916 115.700 0.054 0.000 2.419 270 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 270 S C 1.659 176.258 174.600 -0.001 0.000 1.016 270 S CA 1.127 59.339 58.200 0.019 0.000 0.974 270 S CB -0.152 63.060 63.200 0.020 0.000 0.786 270 S HN 0.750 nan 8.310 nan 0.000 0.492 271 G N 0.955 109.767 108.800 0.020 0.000 2.144 271 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 271 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 271 G C 0.211 175.080 174.900 -0.053 0.000 0.988 271 G CA 0.283 45.381 45.100 -0.003 0.000 0.659 271 G HN 0.454 nan 8.290 nan 0.000 0.522 272 D N -0.646 119.694 120.400 -0.100 0.000 2.346 272 D HA 0.294 4.934 4.640 -0.000 0.000 0.206 272 D C 0.452 176.346 176.300 -0.676 0.000 1.001 272 D CA 0.670 54.445 54.000 -0.375 0.000 0.871 272 D CB 0.302 40.820 40.800 -0.470 0.000 0.943 272 D HN 0.391 nan 8.370 nan 0.000 0.518 273 F N -0.211 119.703 119.950 -0.059 0.000 2.599 273 F HA 0.307 4.834 4.527 -0.000 0.000 0.311 273 F C 0.214 176.131 175.800 0.196 0.000 1.076 273 F CA -0.929 57.057 58.000 -0.023 0.000 0.937 273 F CB 1.818 40.647 39.000 -0.284 0.000 1.282 273 F HN -0.509 nan 8.300 nan 0.000 0.460 274 T N 3.569 118.362 114.554 0.398 0.000 2.733 274 T HA 0.362 4.712 4.350 -0.000 0.000 0.294 274 T C -0.410 174.496 174.700 0.343 0.000 0.956 274 T CA -0.350 61.928 62.100 0.296 0.000 0.987 274 T CB 0.513 69.474 68.868 0.156 0.000 0.920 274 T HN 0.412 nan 8.240 nan 0.000 0.470 275 L N 4.162 125.483 121.223 0.164 0.000 2.453 275 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 275 L C 0.684 177.496 176.870 -0.096 0.000 1.182 275 L CA 0.058 54.758 54.840 -0.233 0.000 0.858 275 L CB 0.380 42.137 42.059 -0.504 0.000 1.120 275 L HN 0.523 nan 8.230 nan 0.000 0.474 285 L N 3.668 124.878 121.223 -0.020 0.000 2.385 285 L HA 0.429 4.769 4.340 -0.000 0.000 0.285 285 L C -0.042 176.814 176.870 -0.023 0.000 1.125 285 L CA 0.294 55.115 54.840 -0.031 0.000 0.890 285 L CB -0.979 41.067 42.059 -0.023 0.000 1.251 285 L HN 0.522 nan 8.230 nan 0.000 0.445 286 N N 1.568 120.248 118.700 -0.034 0.000 2.890 286 N HA 0.275 5.015 4.740 -0.000 0.000 0.317 286 N C 0.374 175.859 175.510 -0.041 0.000 1.355 286 N CA -0.353 52.682 53.050 -0.024 0.000 0.803 286 N CB 0.202 38.678 38.487 -0.018 0.000 1.465 286 N HN 0.459 nan 8.380 nan 0.000 0.591 287 Q N -0.547 119.238 119.800 -0.024 0.000 2.226 287 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 287 Q C 1.135 177.104 176.000 -0.051 0.000 0.975 287 Q CA 1.124 56.911 55.803 -0.027 0.000 0.866 287 Q CB -0.206 28.532 28.738 0.000 0.000 0.915 287 Q HN 0.521 nan 8.270 nan 0.000 0.440 288 R N 0.830 121.300 120.500 -0.050 0.000 2.073 288 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 288 R C 2.308 178.556 176.300 -0.087 0.000 1.120 288 R CA 1.220 57.284 56.100 -0.060 0.000 0.967 288 R CB -0.181 30.092 30.300 -0.046 0.000 0.862 288 R HN 0.214 nan 8.270 nan 0.000 0.436 289 K N 0.963 121.309 120.400 -0.090 0.000 2.148 289 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 289 K C 2.054 178.552 176.600 -0.169 0.000 1.050 289 K CA 0.814 57.032 56.287 -0.114 0.000 0.942 289 K CB -0.014 32.430 32.500 -0.093 0.000 0.724 289 K HN 0.008 nan 8.250 nan 0.000 0.446 290 L N 0.938 122.050 121.223 -0.185 0.000 2.017 290 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 290 L C 1.973 178.676 176.870 -0.279 0.000 1.073 290 L CA 1.516 56.185 54.840 -0.285 0.000 0.745 290 L CB -0.578 41.308 42.059 -0.289 0.000 0.894 290 L HN -0.069 nan 8.230 nan 0.000 0.432 291 V N 0.324 120.130 119.914 -0.180 0.000 2.343 291 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 291 V C 2.840 178.822 176.094 -0.186 0.000 1.051 291 V CA 1.626 63.842 62.300 -0.140 0.000 1.036 291 V CB -1.419 30.372 31.823 -0.054 0.000 0.654 291 V HN 0.635 nan 8.190 nan 0.000 0.451 292 A N -0.206 122.498 122.820 -0.194 0.000 1.902 292 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 292 A C 2.379 179.787 177.584 -0.293 0.000 1.181 292 A CA 1.848 53.747 52.037 -0.230 0.000 0.623 292 A CB -0.478 18.411 19.000 -0.185 0.000 0.818 292 A HN 0.503 nan 8.150 nan 0.000 0.443 293 R N -1.274 119.035 120.500 -0.319 0.000 2.070 293 R HA -0.138 4.202 4.340 -0.000 0.000 0.233 293 R C 2.474 178.366 176.300 -0.679 0.000 1.137 293 R CA 1.685 57.532 56.100 -0.422 0.000 0.945 293 R CB -0.266 29.794 30.300 -0.399 0.000 0.845 293 R HN 0.404 nan 8.270 nan 0.000 0.430 294 R N 0.929 121.021 120.500 -0.680 0.000 2.115 294 R HA -0.010 4.330 4.340 -0.000 0.000 0.230 294 R C 1.860 177.918 176.300 -0.405 0.000 1.111 294 R CA 1.683 57.313 56.100 -0.783 0.000 0.976 294 R CB -0.593 29.423 30.300 -0.473 0.000 0.870 294 R HN 0.256 nan 8.270 nan 0.000 0.445 295 A N 0.387 123.053 122.820 -0.257 0.000 1.930 295 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 295 A C 2.001 179.541 177.584 -0.074 0.000 1.175 295 A CA 1.324 53.308 52.037 -0.089 0.000 0.627 295 A CB -0.635 18.252 19.000 -0.190 0.000 0.815 295 A HN 0.357 nan 8.150 nan 0.000 0.443 296 L N -1.242 119.837 121.223 -0.240 0.000 2.127 296 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 296 L C 1.923 178.767 176.870 -0.044 0.000 1.089 296 L CA 1.689 56.400 54.840 -0.215 0.000 0.757 296 L CB -0.779 41.076 42.059 -0.340 0.000 0.899 296 L HN 0.340 nan 8.230 nan 0.000 0.434 297 F N 0.254 120.031 119.950 -0.288 0.000 2.236 297 F HA -0.172 4.355 4.527 -0.000 0.000 0.302 297 F C 2.402 178.245 175.800 0.071 0.000 1.073 297 F CA 0.927 58.899 58.000 -0.046 0.000 1.336 297 F CB -0.826 38.167 39.000 -0.012 0.000 1.040 297 F HN 0.261 nan 8.300 nan 0.000 0.507 298 E N -0.786 119.550 120.200 0.227 0.000 2.435 298 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 298 E C 1.001 177.636 176.600 0.059 0.000 1.029 298 E CA 0.105 56.581 56.400 0.127 0.000 0.865 298 E CB -0.214 29.540 29.700 0.089 0.000 0.833 298 E HN 0.247 nan 8.360 nan 0.000 0.510 299 M N 1.537 121.176 119.600 0.065 0.000 2.247 299 M HA 0.170 4.650 4.480 -0.000 0.000 0.326 299 M C -0.013 176.278 176.300 -0.015 0.000 1.134 299 M CA -0.239 55.014 55.300 -0.078 0.000 1.136 299 M CB 0.671 33.057 32.600 -0.356 0.000 1.454 299 M HN -0.090 nan 8.290 nan 0.000 0.467 300 R N 1.311 121.784 120.500 -0.044 0.000 2.799 300 R HA 0.569 4.909 4.340 -0.000 0.000 0.270 300 R C -1.198 175.141 176.300 0.064 0.000 1.010 300 R CA -1.128 54.982 56.100 0.016 0.000 0.916 300 R CB 0.908 31.215 30.300 0.012 0.000 1.228 300 R HN 0.575 nan 8.270 nan 0.000 0.469 301 K N 0.497 120.948 120.400 0.085 0.000 2.484 301 K HA 0.108 4.428 4.320 -0.000 0.000 0.280 301 K C 0.722 177.390 176.600 0.115 0.000 1.013 301 K CA 1.467 57.829 56.287 0.125 0.000 1.029 301 K CB 0.414 32.959 32.500 0.074 0.000 0.902 301 K HN 0.935 nan 8.250 nan 0.000 0.481 302 G N 1.142 110.033 108.800 0.152 0.000 2.184 302 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 302 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 302 G C 0.278 175.256 174.900 0.130 0.000 0.975 302 G CA 0.214 45.386 45.100 0.120 0.000 0.642 302 G HN 0.869 nan 8.290 nan 0.000 0.536 303 A N -0.479 122.430 122.820 0.148 0.000 2.386 303 A HA 0.683 5.003 4.320 -0.000 0.000 0.248 303 A C 0.404 178.093 177.584 0.176 0.000 1.082 303 A CA 0.412 52.520 52.037 0.118 0.000 0.789 303 A CB 1.063 20.094 19.000 0.051 0.000 1.025 303 A HN 1.145 nan 8.150 nan 0.000 0.490 304 V N 1.778 121.783 119.914 0.152 0.000 2.370 304 V HA 0.640 4.760 4.120 -0.000 0.000 0.283 304 V C 0.831 177.019 176.094 0.156 0.000 1.023 304 V CA 0.290 62.709 62.300 0.199 0.000 0.857 304 V CB 1.024 33.011 31.823 0.274 0.000 0.985 304 V HN 1.207 nan 8.190 nan 0.000 0.443 305 G N 3.590 112.504 108.800 0.189 0.000 2.788 305 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 305 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 305 G C -0.958 174.026 174.900 0.140 0.000 1.305 305 G CA -0.831 44.343 45.100 0.124 0.000 1.005 305 G HN 0.684 nan 8.290 nan 0.000 0.496 306 N N -0.669 118.080 118.700 0.081 0.000 2.370 306 N HA 0.299 5.038 4.740 -0.000 0.000 0.303 306 N C -0.646 174.952 175.510 0.146 0.000 1.103 306 N CA -0.511 52.581 53.050 0.069 0.000 0.848 306 N CB 2.172 40.596 38.487 -0.104 0.000 1.235 306 N HN 0.186 nan 8.380 nan 0.000 0.496 307 V N 1.239 121.223 119.914 0.117 0.000 2.450 307 V HA 0.251 4.371 4.120 -0.000 0.000 0.281 307 V C 1.464 177.608 176.094 0.084 0.000 1.019 307 V CA -0.157 62.200 62.300 0.094 0.000 1.062 307 V CB -0.006 31.857 31.823 0.066 0.000 0.979 307 V HN 0.809 nan 8.190 nan 0.000 0.477 308 G N 4.027 112.876 108.800 0.082 0.000 2.539 308 G HA2 0.450 4.410 3.960 -0.000 0.000 0.258 308 G HA3 0.450 4.410 3.960 -0.000 0.000 0.258 308 G C -0.595 174.348 174.900 0.072 0.000 1.202 308 G CA -0.402 44.749 45.100 0.087 0.000 0.851 308 G HN 0.576 nan 8.290 nan 0.000 0.556 309 V N 1.853 121.826 119.914 0.097 0.000 2.313 309 V HA 0.749 4.869 4.120 -0.000 0.000 0.278 309 V C 0.871 177.020 176.094 0.092 0.000 1.017 309 V CA 0.892 63.245 62.300 0.089 0.000 0.823 309 V CB -0.063 31.824 31.823 0.108 0.000 1.010 309 V HN 1.644 nan 8.190 nan 0.000 0.443 310 G N 3.866 112.700 108.800 0.056 0.000 2.250 310 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.196 310 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.196 310 G C 0.502 175.407 174.900 0.009 0.000 1.308 310 G CA -0.141 44.982 45.100 0.039 0.000 1.207 310 G HN 0.564 nan 8.290 nan 0.000 0.505 311 I N 1.731 122.295 120.570 -0.009 0.000 2.530 311 I HA -0.003 4.167 4.170 -0.000 0.000 0.257 311 I C 2.771 178.863 176.117 -0.042 0.000 1.179 311 I CA 2.373 63.654 61.300 -0.032 0.000 1.440 311 I CB -0.185 37.783 38.000 -0.052 0.000 1.087 311 I HN 0.732 nan 8.210 nan 0.000 0.440 312 A N 0.728 123.533 122.820 -0.024 0.000 2.066 312 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 312 A C 1.749 179.276 177.584 -0.095 0.000 1.157 312 A CA 1.389 53.383 52.037 -0.071 0.000 0.670 312 A CB -0.599 18.399 19.000 -0.004 0.000 0.804 312 A HN 0.668 nan 8.150 nan 0.000 0.453 313 D N -0.260 120.113 120.400 -0.044 0.000 2.311 313 D HA -0.041 4.599 4.640 -0.000 0.000 0.212 313 D C 1.467 177.735 176.300 -0.053 0.000 0.972 313 D CA 1.210 55.190 54.000 -0.034 0.000 0.887 313 D CB -0.920 39.875 40.800 -0.008 0.000 0.915 313 D HN 0.279 nan 8.370 nan 0.000 0.497 314 G N 0.049 108.804 108.800 -0.076 0.000 2.813 314 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.209 314 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.209 314 G C 1.615 176.456 174.900 -0.099 0.000 1.150 314 G CA 0.103 45.157 45.100 -0.078 0.000 0.785 314 G HN 0.332 nan 8.290 nan 0.000 0.535 315 I N 1.473 121.953 120.570 -0.150 0.000 2.194 315 I HA -0.169 4.001 4.170 -0.000 0.000 0.246 315 I C 3.010 179.104 176.117 -0.039 0.000 1.093 315 I CA 1.256 62.448 61.300 -0.180 0.000 1.355 315 I CB -0.221 37.545 38.000 -0.389 0.000 1.046 315 I HN 0.228 nan 8.210 nan 0.000 0.413 316 G N 0.723 109.523 108.800 -0.000 0.000 2.418 316 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 316 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 316 G C 1.698 176.607 174.900 0.016 0.000 1.158 316 G CA 0.534 45.659 45.100 0.043 0.000 0.771 316 G HN 0.283 nan 8.290 nan 0.000 0.545 317 L N 0.190 121.407 121.223 -0.011 0.000 2.093 317 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 317 L C 2.988 179.852 176.870 -0.009 0.000 1.085 317 L CA 0.285 55.115 54.840 -0.016 0.000 0.755 317 L CB -0.353 41.690 42.059 -0.026 0.000 0.904 317 L HN 0.083 nan 8.230 nan 0.000 0.435 318 V N 0.085 119.985 119.914 -0.023 0.000 2.295 318 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 318 V C 2.763 178.876 176.094 0.032 0.000 1.049 318 V CA 1.843 64.128 62.300 -0.024 0.000 1.024 318 V CB -0.967 30.805 31.823 -0.086 0.000 0.648 318 V HN 0.486 nan 8.190 nan 0.000 0.447 319 A N -0.022 122.848 122.820 0.083 0.000 1.933 319 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 319 A C 2.374 180.029 177.584 0.120 0.000 1.175 319 A CA 1.932 54.082 52.037 0.188 0.000 0.628 319 A CB -0.489 18.735 19.000 0.374 0.000 0.814 319 A HN 0.527 nan 8.150 nan 0.000 0.444 320 R N -0.719 119.813 120.500 0.055 0.000 2.081 320 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 320 R C 2.325 178.644 176.300 0.033 0.000 1.131 320 R CA 1.518 57.632 56.100 0.023 0.000 0.960 320 R CB -0.317 29.981 30.300 -0.005 0.000 0.856 320 R HN 0.800 nan 8.270 nan 0.000 0.436 321 E N 0.796 121.015 120.200 0.033 0.000 2.077 321 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 321 E C 1.287 177.923 176.600 0.060 0.000 0.989 321 E CA 1.114 57.534 56.400 0.033 0.000 0.800 321 E CB 0.221 29.933 29.700 0.019 0.000 0.746 321 E HN 0.207 nan 8.360 nan 0.000 0.452 322 E N -0.698 119.559 120.200 0.095 0.000 2.481 322 E HA 0.006 4.356 4.350 -0.000 0.000 0.195 322 E C 1.099 177.783 176.600 0.139 0.000 1.047 322 E CA 0.782 57.272 56.400 0.150 0.000 0.867 322 E CB 0.559 30.411 29.700 0.253 0.000 0.858 322 E HN 0.474 nan 8.360 nan 0.000 0.513 323 G N 1.602 110.464 108.800 0.104 0.000 2.137 323 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.237 323 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.237 323 G C 0.854 175.806 174.900 0.088 0.000 1.002 323 G CA 0.427 45.572 45.100 0.075 0.000 0.702 323 G HN 0.415 nan 8.290 nan 0.000 0.515 324 C N -2.110 117.277 119.300 0.146 0.000 3.115 324 C HA 0.816 5.276 4.460 -0.000 0.000 0.277 324 C C 2.430 177.502 174.990 0.136 0.000 1.460 324 C CA 0.324 59.451 59.018 0.181 0.000 1.789 324 C CB -0.135 27.785 27.740 0.300 0.000 2.674 324 C HN 1.305 nan 8.230 nan 0.000 0.582 325 A N 1.522 124.341 122.820 -0.002 0.000 1.972 325 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 325 A C 1.717 179.053 177.584 -0.413 0.000 1.169 325 A CA 2.126 54.009 52.037 -0.257 0.000 0.635 325 A CB -0.432 18.479 19.000 -0.148 0.000 0.810 325 A HN 0.608 nan 8.150 nan 0.000 0.446 326 D N -0.136 120.146 120.400 -0.197 0.000 2.349 326 D HA -0.005 4.635 4.640 -0.000 0.000 0.224 326 D C 0.301 176.531 176.300 -0.116 0.000 1.029 326 D CA 0.499 54.403 54.000 -0.159 0.000 0.879 326 D CB -0.058 40.694 40.800 -0.079 0.000 0.906 326 D HN 0.360 nan 8.370 nan 0.000 0.528 327 D N -0.438 119.917 120.400 -0.074 0.000 2.354 327 D HA 0.075 4.715 4.640 -0.000 0.000 0.209 327 D C 0.500 176.916 176.300 0.193 0.000 1.015 327 D CA 0.173 54.221 54.000 0.080 0.000 0.867 327 D CB 0.334 41.237 40.800 0.171 0.000 0.933 327 D HN 0.301 nan 8.370 nan 0.000 0.520 328 F N -1.159 118.823 119.950 0.052 0.000 2.692 328 F HA 0.619 5.146 4.527 -0.000 0.000 0.320 328 F C -1.290 174.542 175.800 0.052 0.000 1.123 328 F CA -1.762 56.273 58.000 0.059 0.000 0.961 328 F CB 1.101 40.151 39.000 0.083 0.000 1.383 328 F HN -0.321 nan 8.300 nan 0.000 0.483 329 I N 2.191 122.885 120.570 0.207 0.000 2.465 329 I HA 0.565 4.735 4.170 -0.000 0.000 0.291 329 I C -1.557 174.690 176.117 0.218 0.000 1.014 329 I CA -0.937 60.412 61.300 0.083 0.000 1.093 329 I CB 1.734 39.763 38.000 0.047 0.000 1.267 329 I HN 0.641 nan 8.210 nan 0.000 0.431 330 L N 6.687 127.998 121.223 0.146 0.000 2.307 330 L HA 0.603 4.943 4.340 -0.000 0.000 0.284 330 L C 0.037 176.974 176.870 0.112 0.000 1.023 330 L CA -0.626 54.325 54.840 0.186 0.000 0.810 330 L CB 1.730 43.911 42.059 0.203 0.000 1.231 330 L HN 0.653 nan 8.230 nan 0.000 0.423 331 T N -0.151 114.488 114.554 0.141 0.000 2.925 331 T HA 0.695 5.045 4.350 -0.000 0.000 0.285 331 T C -0.334 174.445 174.700 0.133 0.000 1.021 331 T CA -0.759 61.415 62.100 0.123 0.000 1.042 331 T CB 2.047 71.027 68.868 0.186 0.000 1.037 331 T HN 0.177 nan 8.240 nan 0.000 0.481 332 V N 2.719 122.682 119.914 0.081 0.000 2.435 332 V HA 0.276 4.396 4.120 -0.000 0.000 0.290 332 V C 1.341 177.469 176.094 0.056 0.000 1.030 332 V CA -0.671 61.670 62.300 0.068 0.000 0.881 332 V CB 1.206 33.041 31.823 0.021 0.000 0.983 332 V HN 1.072 nan 8.190 nan 0.000 0.445 333 E N 1.844 122.100 120.200 0.093 0.000 2.171 333 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 333 E C 1.736 178.222 176.600 -0.189 0.000 0.997 333 E CA 1.812 58.206 56.400 -0.010 0.000 0.810 333 E CB -0.038 29.747 29.700 0.142 0.000 0.738 333 E HN 0.967 nan 8.360 nan 0.000 0.467 334 T N -3.274 111.270 114.554 -0.017 0.000 3.148 334 T HA 0.274 4.624 4.350 -0.000 0.000 0.253 334 T C 1.370 176.046 174.700 -0.039 0.000 1.134 334 T CA 0.445 62.559 62.100 0.023 0.000 1.051 334 T CB 0.798 69.698 68.868 0.054 0.000 0.959 334 T HN 0.336 nan 8.240 nan 0.000 0.525 335 G N 1.014 109.755 108.800 -0.098 0.000 2.797 335 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.195 335 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.195 335 G C -2.630 172.209 174.900 -0.102 0.000 1.026 335 G CA -0.647 44.388 45.100 -0.110 0.000 0.759 335 G HN 0.503 nan 8.290 nan 0.000 0.475 336 P HA 0.507 nan 4.420 nan 0.000 0.267 336 P C -0.221 177.042 177.300 -0.061 0.000 1.200 336 P CA 0.437 63.490 63.100 -0.078 0.000 0.772 336 P CB 0.769 32.431 31.700 -0.063 0.000 0.855 337 I N 1.461 121.994 120.570 -0.062 0.000 2.478 337 I HA 0.546 4.716 4.170 -0.000 0.000 0.287 337 I C 0.683 176.774 176.117 -0.043 0.000 1.042 337 I CA -0.169 61.099 61.300 -0.053 0.000 1.067 337 I CB 1.523 39.471 38.000 -0.086 0.000 1.233 337 I HN 0.620 nan 8.210 nan 0.000 0.431 338 G N 3.985 112.768 108.800 -0.029 0.000 2.693 338 G HA2 0.337 4.297 3.960 -0.000 0.000 0.226 338 G HA3 0.337 4.297 3.960 -0.000 0.000 0.226 338 G C -0.009 174.868 174.900 -0.039 0.000 1.354 338 G CA -0.152 44.923 45.100 -0.041 0.000 0.873 338 G HN 1.733 nan 8.290 nan 0.000 0.562 339 G N -1.991 106.781 108.800 -0.048 0.000 2.541 339 G HA2 0.541 4.501 3.960 -0.000 0.000 0.686 339 G HA3 0.541 4.501 3.960 -0.000 0.000 0.686 339 G C -0.289 174.586 174.900 -0.042 0.000 1.286 339 G CA 0.194 45.271 45.100 -0.038 0.000 0.894 339 G HN 2.496 nan 8.290 nan 0.000 0.575 340 I N -3.159 117.388 120.570 -0.038 0.000 2.934 340 I HA 0.875 5.045 4.170 -0.000 0.000 0.306 340 I C 0.210 176.303 176.117 -0.038 0.000 1.110 340 I CA -1.056 60.218 61.300 -0.043 0.000 1.019 340 I CB 2.012 39.980 38.000 -0.053 0.000 1.227 340 I HN 0.624 nan 8.210 nan 0.000 0.434 350 N N 0.235 118.929 118.700 -0.009 0.000 2.444 350 N HA 0.527 5.266 4.740 -0.000 0.000 0.255 350 N C 0.367 175.878 175.510 0.003 0.000 1.255 350 N CA 0.185 53.229 53.050 -0.010 0.000 0.933 350 N CB 1.364 39.841 38.487 -0.016 0.000 1.143 350 N HN 0.811 nan 8.380 nan 0.000 0.453 351 V N -1.143 118.772 119.914 0.002 0.000 3.113 351 V HA 0.507 4.627 4.120 -0.000 0.000 0.316 351 V C -0.020 176.083 176.094 0.016 0.000 1.125 351 V CA -1.004 61.316 62.300 0.033 0.000 1.026 351 V CB 1.732 33.580 31.823 0.042 0.000 1.080 351 V HN 0.785 nan 8.190 nan 0.000 0.444 352 N N 0.158 118.885 118.700 0.046 0.000 2.735 352 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 352 N C 0.366 175.874 175.510 -0.004 0.000 1.083 352 N CA 1.356 54.421 53.050 0.025 0.000 0.703 352 N CB -2.035 36.454 38.487 0.004 0.000 1.005 352 N HN 1.414 nan 8.380 nan 0.000 0.550 353 T N -3.017 111.532 114.554 -0.008 0.000 2.802 353 T HA 0.280 4.630 4.350 -0.000 0.000 0.305 353 T C 1.401 176.082 174.700 -0.031 0.000 1.053 353 T CA -0.170 61.913 62.100 -0.028 0.000 1.058 353 T CB 1.429 70.274 68.868 -0.038 0.000 0.988 353 T HN 0.056 nan 8.240 nan 0.000 0.539 354 R N 0.594 121.069 120.500 -0.041 0.000 2.254 354 R HA 0.545 4.885 4.340 -0.000 0.000 0.193 354 R C 0.602 176.875 176.300 -0.046 0.000 0.929 354 R CA 0.585 56.660 56.100 -0.042 0.000 1.038 354 R CB -0.262 30.009 30.300 -0.047 0.000 1.009 354 R HN 0.904 nan 8.270 nan 0.000 0.512 355 A N 0.459 123.248 122.820 -0.052 0.000 2.583 355 A HA 0.624 4.944 4.320 -0.000 0.000 0.292 355 A C -1.559 175.989 177.584 -0.060 0.000 1.045 355 A CA -0.653 51.353 52.037 -0.052 0.000 0.672 355 A CB 1.013 19.974 19.000 -0.065 0.000 1.283 355 A HN 0.063 nan 8.150 nan 0.000 0.419 356 I N 1.943 122.490 120.570 -0.038 0.000 2.497 356 I HA 0.340 4.510 4.170 -0.000 0.000 0.284 356 I C -0.641 175.511 176.117 0.059 0.000 1.060 356 I CA -0.226 61.039 61.300 -0.059 0.000 1.071 356 I CB 1.484 39.355 38.000 -0.215 0.000 1.216 356 I HN 0.536 nan 8.210 nan 0.000 0.442 357 L N 4.572 125.796 121.223 0.001 0.000 2.416 357 L HA 0.408 4.748 4.340 -0.000 0.000 0.262 357 L C 0.303 177.223 176.870 0.083 0.000 1.093 357 L CA -0.880 53.971 54.840 0.018 0.000 0.801 357 L CB 0.876 42.878 42.059 -0.095 0.000 1.191 357 L HN 0.610 nan 8.230 nan 0.000 0.459 358 D N 0.728 121.157 120.400 0.049 0.000 2.368 358 D HA -0.061 4.579 4.640 -0.000 0.000 0.240 358 D C 0.770 177.069 176.300 -0.002 0.000 1.169 358 D CA -0.365 53.657 54.000 0.036 0.000 0.906 358 D CB 1.440 42.212 40.800 -0.046 0.000 1.187 358 D HN 0.608 nan 8.370 nan 0.000 0.435 359 M N 0.905 120.525 119.600 0.034 0.000 2.132 359 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 359 M C 1.645 178.018 176.300 0.122 0.000 1.065 359 M CA 1.547 56.889 55.300 0.069 0.000 1.122 359 M CB -0.130 32.569 32.600 0.164 0.000 1.365 359 M HN 0.499 nan 8.290 nan 0.000 0.411 360 T N -0.023 114.589 114.554 0.095 0.000 2.746 360 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 360 T C 1.839 176.556 174.700 0.028 0.000 1.039 360 T CA 1.792 63.947 62.100 0.093 0.000 1.142 360 T CB -0.387 68.504 68.868 0.037 0.000 0.866 360 T HN 0.428 nan 8.240 nan 0.000 0.444 361 S N 1.216 116.900 115.700 -0.026 0.000 2.382 361 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 361 S C 2.185 176.711 174.600 -0.124 0.000 1.027 361 S CA 1.199 59.362 58.200 -0.060 0.000 0.991 361 S CB -0.364 62.793 63.200 -0.072 0.000 0.823 361 S HN 0.419 nan 8.310 nan 0.000 0.469 362 Q N 0.511 120.178 119.800 -0.223 0.000 2.050 362 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 362 Q C 1.576 177.153 176.000 -0.705 0.000 0.980 362 Q CA 1.709 57.215 55.803 -0.496 0.000 0.840 362 Q CB -0.400 27.977 28.738 -0.601 0.000 0.898 362 Q HN 0.538 nan 8.270 nan 0.000 0.424 363 F N 0.549 120.267 119.950 -0.388 0.000 2.259 363 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 363 F C 1.879 177.407 175.800 -0.454 0.000 1.088 363 F CA 1.150 58.908 58.000 -0.404 0.000 1.358 363 F CB -0.301 38.501 39.000 -0.330 0.000 1.040 363 F HN 0.136 nan 8.300 nan 0.000 0.505 364 D N -0.059 120.272 120.400 -0.115 0.000 2.116 364 D HA -0.261 4.379 4.640 -0.000 0.000 0.193 364 D C 2.115 178.439 176.300 0.041 0.000 0.998 364 D CA 1.422 55.400 54.000 -0.037 0.000 0.836 364 D CB -0.798 40.006 40.800 0.007 0.000 0.951 364 D HN 0.253 nan 8.370 nan 0.000 0.449 365 F N 0.829 120.700 119.950 -0.132 0.000 2.095 365 F HA -0.282 4.245 4.527 -0.000 0.000 0.298 365 F C 2.158 178.008 175.800 0.084 0.000 1.104 365 F CA 1.320 59.277 58.000 -0.072 0.000 1.232 365 F CB -0.430 38.466 39.000 -0.173 0.000 0.987 365 F HN -0.074 nan 8.300 nan 0.000 0.475 366 Y N 0.198 120.457 120.300 -0.068 0.000 2.181 366 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 366 Y C 2.806 178.732 175.900 0.043 0.000 1.146 366 Y CA 1.565 59.611 58.100 -0.090 0.000 1.164 366 Y CB -1.683 36.813 38.460 0.061 0.000 0.982 366 Y HN 0.320 nan 8.280 nan 0.000 0.515 367 H N -1.677 117.505 119.070 0.186 0.000 2.387 367 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 367 H C 2.123 177.476 175.328 0.042 0.000 1.099 367 H CA 0.511 56.630 56.048 0.118 0.000 1.315 367 H CB -0.231 29.604 29.762 0.121 0.000 1.380 367 H HN 0.353 nan 8.280 nan 0.000 0.513 368 G N -0.527 108.347 108.800 0.122 0.000 3.026 368 G HA2 0.190 4.150 3.960 -0.000 0.000 0.208 368 G HA3 0.190 4.150 3.960 -0.000 0.000 0.208 368 G C 0.997 175.868 174.900 -0.049 0.000 1.169 368 G CA 0.390 45.508 45.100 0.031 0.000 0.788 368 G HN 0.583 nan 8.290 nan 0.000 0.533 369 G N -0.970 107.783 108.800 -0.078 0.000 2.171 369 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.238 369 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.238 369 G C 1.209 175.962 174.900 -0.246 0.000 1.039 369 G CA 0.359 45.387 45.100 -0.120 0.000 0.759 369 G HN 0.937 nan 8.290 nan 0.000 0.501 370 G N -0.353 108.129 108.800 -0.530 0.000 2.432 370 G HA2 0.137 4.097 3.960 -0.000 0.000 0.219 370 G HA3 0.137 4.097 3.960 -0.000 0.000 0.219 370 G C 0.965 175.586 174.900 -0.465 0.000 1.135 370 G CA 0.657 45.125 45.100 -1.053 0.000 0.767 370 G HN 0.692 nan 8.290 nan 0.000 0.550 371 L N 1.560 122.620 121.223 -0.271 0.000 2.361 371 L HA 0.186 4.526 4.340 -0.000 0.000 0.278 371 L C 0.653 177.461 176.870 -0.104 0.000 1.113 371 L CA -0.707 54.073 54.840 -0.100 0.000 0.849 371 L CB 1.158 43.110 42.059 -0.178 0.000 1.155 371 L HN 0.051 nan 8.230 nan 0.000 0.452 372 D N 2.094 122.464 120.400 -0.050 0.000 2.123 372 D HA -0.011 4.629 4.640 -0.000 0.000 0.200 372 D C 0.347 176.563 176.300 -0.141 0.000 0.976 372 D CA 1.266 55.226 54.000 -0.068 0.000 0.831 372 D CB 0.446 41.234 40.800 -0.019 0.000 0.974 372 D HN 0.210 nan 8.370 nan 0.000 0.469 373 V N 0.567 120.367 119.914 -0.189 0.000 2.709 373 V HA 0.327 4.447 4.120 -0.000 0.000 0.308 373 V C -0.365 175.447 176.094 -0.470 0.000 1.062 373 V CA -1.134 60.946 62.300 -0.367 0.000 0.901 373 V CB 2.564 34.131 31.823 -0.427 0.000 1.003 373 V HN 0.275 nan 8.190 nan 0.000 0.425 374 C N 5.221 124.155 119.300 -0.611 0.000 2.431 374 C HA 0.811 5.271 4.460 -0.000 0.000 0.321 374 C C -1.363 173.238 174.990 -0.648 0.000 1.202 374 C CA -0.556 58.136 59.018 -0.542 0.000 1.398 374 C CB 0.407 27.881 27.740 -0.443 0.000 2.047 374 C HN 0.776 nan 8.230 nan 0.000 0.465 375 Y N 4.968 125.132 120.300 -0.226 0.000 2.328 375 Y HA 0.781 5.331 4.550 -0.000 0.000 0.337 375 Y C 0.196 176.006 175.900 -0.151 0.000 0.966 375 Y CA -0.694 57.295 58.100 -0.185 0.000 1.136 375 Y CB 1.231 39.628 38.460 -0.104 0.000 1.170 375 Y HN 0.649 nan 8.280 nan 0.000 0.470 376 L N 1.746 122.972 121.223 0.004 0.000 2.434 376 L HA 0.535 4.875 4.340 -0.000 0.000 0.260 376 L C -0.191 176.882 176.870 0.337 0.000 0.983 376 L CA -0.823 54.086 54.840 0.115 0.000 0.820 376 L CB 2.524 44.530 42.059 -0.088 0.000 1.361 376 L HN 0.483 nan 8.230 nan 0.000 0.410 377 S N 0.904 116.829 115.700 0.376 0.000 2.645 377 S HA 0.713 5.183 4.470 -0.000 0.000 0.266 377 S C -0.873 174.000 174.600 0.455 0.000 1.258 377 S CA -0.303 58.069 58.200 0.287 0.000 0.990 377 S CB 0.930 64.209 63.200 0.132 0.000 0.967 377 S HN 0.389 nan 8.310 nan 0.000 0.556 378 F N -1.736 118.290 119.950 0.126 0.000 2.591 378 F HA 0.795 5.322 4.527 -0.000 0.000 0.309 378 F C 0.146 175.811 175.800 -0.225 0.000 1.098 378 F CA -1.175 56.799 58.000 -0.044 0.000 0.937 378 F CB 0.887 39.824 39.000 -0.105 0.000 1.250 378 F HN 0.517 nan 8.300 nan 0.000 0.447 379 A N 1.477 124.136 122.820 -0.269 0.000 1.924 379 A HA 0.368 4.688 4.320 -0.000 0.000 0.211 379 A C 0.207 177.646 177.584 -0.242 0.000 1.198 379 A CA 0.667 52.355 52.037 -0.582 0.000 0.657 379 A CB -0.188 17.979 19.000 -1.388 0.000 0.852 379 A HN 0.820 nan 8.150 nan 0.000 0.454 380 E N -1.187 118.937 120.200 -0.127 0.000 2.356 380 E HA 0.566 4.916 4.350 -0.000 0.000 0.275 380 E C -1.900 174.539 176.600 -0.268 0.000 0.904 380 E CA -0.686 55.627 56.400 -0.145 0.000 0.757 380 E CB 2.729 32.350 29.700 -0.131 0.000 1.232 380 E HN 0.018 nan 8.360 nan 0.000 0.442 381 V N 2.083 121.692 119.914 -0.509 0.000 2.656 381 V HA 0.285 4.405 4.120 -0.000 0.000 0.307 381 V C -0.518 175.388 176.094 -0.314 0.000 1.051 381 V CA -0.855 61.082 62.300 -0.604 0.000 0.893 381 V CB 1.793 32.873 31.823 -1.239 0.000 0.999 381 V HN 0.791 nan 8.190 nan 0.000 0.426 382 D N 2.490 122.755 120.400 -0.225 0.000 2.549 382 D HA 0.210 4.850 4.640 -0.000 0.000 0.270 382 D C 1.052 176.933 176.300 -0.699 0.000 1.181 382 D CA -0.506 53.353 54.000 -0.234 0.000 1.070 382 D CB 0.813 41.527 40.800 -0.145 0.000 1.154 382 D HN 0.554 nan 8.370 nan 0.000 0.602 383 Q N -1.063 118.042 119.800 -1.159 0.000 2.291 383 Q HA -0.165 4.175 4.340 -0.000 0.000 0.205 383 Q C 0.647 176.064 176.000 -0.973 0.000 0.970 383 Q CA 1.150 55.898 55.803 -1.759 0.000 0.876 383 Q CB -0.411 27.537 28.738 -1.317 0.000 0.935 383 Q HN 0.509 nan 8.270 nan 0.000 0.455 384 H N -0.202 118.631 119.070 -0.396 0.000 2.539 384 H HA 0.216 4.772 4.556 -0.000 0.000 0.267 384 H C 1.163 176.423 175.328 -0.114 0.000 0.982 384 H CA 0.658 56.586 56.048 -0.201 0.000 1.146 384 H CB 0.748 30.428 29.762 -0.137 0.000 1.382 384 H HN 0.577 nan 8.280 nan 0.000 0.577 385 G N 1.444 110.179 108.800 -0.108 0.000 2.162 385 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 385 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 385 G C 0.180 175.214 174.900 0.223 0.000 0.976 385 G CA 0.016 45.143 45.100 0.044 0.000 0.655 385 G HN 0.331 nan 8.290 nan 0.000 0.533 386 N N -0.257 118.511 118.700 0.114 0.000 2.416 386 N HA 0.386 5.126 4.740 -0.000 0.000 0.246 386 N C 0.186 175.758 175.510 0.103 0.000 1.260 386 N CA 0.402 53.552 53.050 0.166 0.000 0.897 386 N CB 1.526 40.064 38.487 0.086 0.000 1.110 386 N HN 0.196 nan 8.380 nan 0.000 0.439 387 V N -0.305 119.731 119.914 0.203 0.000 2.680 387 V HA 0.692 4.812 4.120 -0.000 0.000 0.309 387 V C 0.538 176.667 176.094 0.058 0.000 1.052 387 V CA -0.943 61.345 62.300 -0.021 0.000 0.908 387 V CB 1.973 33.604 31.823 -0.321 0.000 1.001 387 V HN 0.756 nan 8.190 nan 0.000 0.431 388 G N 1.363 110.126 108.800 -0.061 0.000 2.478 388 G HA2 0.574 4.534 3.960 -0.000 0.000 0.317 388 G HA3 0.574 4.534 3.960 -0.000 0.000 0.317 388 G C 0.138 174.920 174.900 -0.197 0.000 1.259 388 G CA 0.054 45.101 45.100 -0.088 0.000 0.933 388 G HN 1.037 nan 8.290 nan 0.000 0.478 389 V N -0.325 119.439 119.914 -0.250 0.000 3.408 389 V HA 0.194 4.314 4.120 -0.000 0.000 0.263 389 V C 1.590 177.691 176.094 0.011 0.000 1.503 389 V CA 0.991 63.172 62.300 -0.198 0.000 1.046 389 V CB -0.469 31.130 31.823 -0.374 0.000 0.851 389 V HN 0.819 nan 8.190 nan 0.000 0.435 390 H N 1.604 120.581 119.070 -0.155 0.000 2.502 390 H HA 0.283 4.839 4.556 -0.000 0.000 0.283 390 H C 0.305 175.497 175.328 -0.227 0.000 1.015 390 H CA 0.639 56.564 56.048 -0.205 0.000 1.298 390 H CB 0.354 29.868 29.762 -0.413 0.000 1.411 390 H HN 0.454 nan 8.280 nan 0.000 0.556 391 K N 0.242 120.224 120.400 -0.697 0.000 2.501 391 K HA 0.445 4.765 4.320 -0.000 0.000 0.252 391 K C -1.622 174.896 176.600 -0.137 0.000 0.934 391 K CA -0.695 55.300 56.287 -0.487 0.000 0.797 391 K CB 2.749 34.889 32.500 -0.601 0.000 1.270 391 K HN 0.189 nan 8.250 nan 0.000 0.431 392 F N -0.920 118.877 119.950 -0.254 0.000 2.799 392 F HA 0.315 4.842 4.527 -0.000 0.000 0.316 392 F C -0.197 175.529 175.800 -0.124 0.000 1.155 392 F CA -1.216 56.679 58.000 -0.176 0.000 0.916 392 F CB 0.585 39.496 39.000 -0.149 0.000 1.294 392 F HN 0.536 nan 8.300 nan 0.000 0.447 393 N N 0.974 119.699 118.700 0.042 0.000 2.721 393 N HA -0.119 4.621 4.740 -0.000 0.000 0.249 393 N C 0.948 176.376 175.510 -0.136 0.000 1.072 393 N CA 2.177 55.206 53.050 -0.035 0.000 0.710 393 N CB -1.143 37.344 38.487 -0.000 0.000 0.993 393 N HN 2.150 nan 8.380 nan 0.000 0.547 394 G N -1.679 107.037 108.800 -0.140 0.000 2.168 394 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.257 394 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.257 394 G C -0.125 174.659 174.900 -0.195 0.000 0.997 394 G CA 1.080 46.092 45.100 -0.146 0.000 0.708 394 G HN 0.529 nan 8.290 nan 0.000 0.520 395 K N -0.441 119.782 120.400 -0.294 0.000 2.328 395 K HA 0.680 5.000 4.320 -0.000 0.000 0.246 395 K C 0.084 176.466 176.600 -0.363 0.000 0.955 395 K CA -1.133 54.968 56.287 -0.311 0.000 0.817 395 K CB 1.861 34.154 32.500 -0.346 0.000 1.208 395 K HN 0.154 nan 8.250 nan 0.000 0.432 396 I N 2.502 122.903 120.570 -0.281 0.000 2.304 396 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 396 I C 1.128 177.121 176.117 -0.206 0.000 1.018 396 I CA -0.323 60.807 61.300 -0.283 0.000 1.260 396 I CB 1.178 38.989 38.000 -0.314 0.000 1.390 396 I HN 0.529 nan 8.210 nan 0.000 0.475 397 M N 4.962 124.431 119.600 -0.219 0.000 2.657 397 M HA 0.391 4.870 4.480 -0.000 0.000 0.262 397 M C 0.777 176.963 176.300 -0.191 0.000 1.213 397 M CA 0.781 55.989 55.300 -0.154 0.000 1.182 397 M CB 0.282 32.854 32.600 -0.046 0.000 1.303 397 M HN 0.701 nan 8.290 nan 0.000 0.501 398 G N -0.678 108.085 108.800 -0.060 0.000 2.828 398 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.463 398 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.463 398 G C 0.315 175.312 174.900 0.162 0.000 1.394 398 G CA 0.211 45.372 45.100 0.103 0.000 0.862 398 G HN 0.641 nan 8.290 nan 0.000 0.540 399 T N -1.518 113.231 114.554 0.325 0.000 2.976 399 T HA 0.447 4.797 4.350 -0.000 0.000 0.257 399 T C 2.669 177.663 174.700 0.490 0.000 1.051 399 T CA 1.665 64.001 62.100 0.392 0.000 1.141 399 T CB -0.405 68.728 68.868 0.443 0.000 0.881 399 T HN 2.815 nan 8.240 nan 0.000 0.461 400 G N 1.157 110.273 108.800 0.527 0.000 2.582 400 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.288 400 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.288 400 G C 0.889 176.033 174.900 0.407 0.000 1.247 400 G CA 0.113 45.501 45.100 0.480 0.000 0.972 400 G HN 1.144 nan 8.290 nan 0.000 0.557 401 G N -0.636 108.433 108.800 0.448 0.000 3.088 401 G HA2 0.376 4.336 3.960 -0.000 0.000 0.212 401 G HA3 0.376 4.336 3.960 -0.000 0.000 0.212 401 G C 1.261 176.439 174.900 0.465 0.000 1.173 401 G CA 1.019 46.432 45.100 0.522 0.000 0.779 401 G HN 0.695 nan 8.290 nan 0.000 0.540 402 F N 1.301 121.436 119.950 0.308 0.000 2.063 402 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 402 F C 2.338 178.302 175.800 0.273 0.000 1.109 402 F CA 1.713 59.880 58.000 0.278 0.000 1.212 402 F CB 0.070 39.254 39.000 0.306 0.000 0.973 402 F HN 0.146 nan 8.300 nan 0.000 0.480 403 I N 0.138 121.040 120.570 0.553 0.000 2.315 403 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 403 I C 1.906 178.169 176.117 0.243 0.000 1.117 403 I CA 1.464 63.000 61.300 0.393 0.000 1.404 403 I CB -0.726 37.480 38.000 0.343 0.000 1.071 403 I HN 0.201 nan 8.210 nan 0.000 0.419 404 D N 1.025 121.604 120.400 0.299 0.000 2.221 404 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 404 D C 2.125 178.628 176.300 0.338 0.000 0.982 404 D CA 1.485 55.734 54.000 0.416 0.000 0.857 404 D CB 0.138 41.348 40.800 0.682 0.000 0.934 404 D HN 0.432 nan 8.370 nan 0.000 0.475 405 I N 0.550 121.212 120.570 0.152 0.000 3.081 405 I HA -0.135 4.035 4.170 -0.000 0.000 0.274 405 I C 2.341 178.362 176.117 -0.160 0.000 1.178 405 I CA 0.339 61.583 61.300 -0.093 0.000 1.460 405 I CB 0.237 38.106 38.000 -0.217 0.000 1.137 405 I HN -0.093 nan 8.210 nan 0.000 0.443 406 S N 0.876 116.485 115.700 -0.152 0.000 2.528 406 S HA 0.163 4.633 4.470 -0.000 0.000 0.219 406 S C 2.036 176.721 174.600 0.141 0.000 0.985 406 S CA 0.421 58.544 58.200 -0.128 0.000 0.914 406 S CB 0.003 63.047 63.200 -0.260 0.000 0.776 406 S HN 0.284 nan 8.310 nan 0.000 0.526 407 A N 2.255 125.145 122.820 0.116 0.000 1.898 407 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 407 A C 2.328 179.947 177.584 0.058 0.000 1.181 407 A CA 1.893 53.990 52.037 0.101 0.000 0.620 407 A CB -0.904 18.129 19.000 0.056 0.000 0.819 407 A HN 0.820 nan 8.150 nan 0.000 0.442 408 T N -4.735 109.837 114.554 0.029 0.000 3.130 408 T HA 0.284 4.634 4.350 -0.000 0.000 0.288 408 T C 0.390 175.067 174.700 -0.038 0.000 0.936 408 T CA 0.437 62.539 62.100 0.004 0.000 0.897 408 T CB -0.230 68.647 68.868 0.015 0.000 1.178 408 T HN 0.101 nan 8.240 nan 0.000 0.543 409 S N 2.460 118.113 115.700 -0.078 0.000 2.568 409 S HA 0.264 4.734 4.470 -0.000 0.000 0.282 409 S C 1.084 175.612 174.600 -0.120 0.000 1.338 409 S CA -0.599 57.520 58.200 -0.135 0.000 1.045 409 S CB 1.016 64.086 63.200 -0.216 0.000 0.873 409 S HN 0.183 nan 8.310 nan 0.000 0.516 410 K N 1.727 122.054 120.400 -0.121 0.000 2.025 410 K HA 0.071 4.391 4.320 -0.000 0.000 0.207 410 K C 0.152 176.685 176.600 -0.112 0.000 1.049 410 K CA 1.460 57.691 56.287 -0.094 0.000 0.933 410 K CB -0.019 32.434 32.500 -0.079 0.000 0.714 410 K HN 0.481 nan 8.250 nan 0.000 0.438 411 K N 0.302 120.600 120.400 -0.169 0.000 2.292 411 K HA 0.435 4.754 4.320 -0.000 0.000 0.257 411 K C -0.746 175.659 176.600 -0.326 0.000 0.940 411 K CA -0.314 55.848 56.287 -0.210 0.000 0.811 411 K CB 2.072 34.447 32.500 -0.208 0.000 1.120 411 K HN -0.127 nan 8.250 nan 0.000 0.428 412 I N 4.522 124.873 120.570 -0.366 0.000 2.382 412 I HA 0.267 4.437 4.170 -0.000 0.000 0.285 412 I C -0.637 175.045 176.117 -0.724 0.000 1.007 412 I CA -0.721 60.214 61.300 -0.607 0.000 1.142 412 I CB 1.017 38.634 38.000 -0.638 0.000 1.289 412 I HN 0.362 nan 8.210 nan 0.000 0.453 413 I N 6.954 127.098 120.570 -0.711 0.000 2.371 413 I HA 0.296 4.466 4.170 -0.000 0.000 0.282 413 I C -0.329 175.549 176.117 -0.399 0.000 1.031 413 I CA -0.493 60.537 61.300 -0.450 0.000 1.180 413 I CB 0.111 37.953 38.000 -0.263 0.000 1.336 413 I HN 0.274 nan 8.210 nan 0.000 0.467 414 F N 4.775 124.636 119.950 -0.149 0.000 2.427 414 F HA 0.335 4.862 4.527 -0.000 0.000 0.352 414 F C 0.665 176.641 175.800 0.293 0.000 1.100 414 F CA -0.146 57.888 58.000 0.056 0.000 1.191 414 F CB 0.905 39.867 39.000 -0.064 0.000 1.128 414 F HN 0.346 nan 8.300 nan 0.000 0.533 415 C N 2.193 121.823 119.300 0.550 0.000 2.441 415 C HA 0.952 5.412 4.460 -0.000 0.000 0.318 415 C C 0.311 175.407 174.990 0.178 0.000 1.222 415 C CA -0.930 58.305 59.018 0.362 0.000 1.474 415 C CB 0.758 28.602 27.740 0.174 0.000 2.125 415 C HN 1.092 nan 8.230 nan 0.000 0.479 416 G N 1.533 110.389 108.800 0.093 0.000 2.338 416 G HA2 0.574 4.534 3.960 -0.000 0.000 0.295 416 G HA3 0.574 4.534 3.960 -0.000 0.000 0.295 416 G C -0.739 174.117 174.900 -0.073 0.000 1.461 416 G CA -0.178 44.715 45.100 -0.345 0.000 0.817 416 G HN 0.844 nan 8.290 nan 0.000 0.556 417 T N -0.919 113.566 114.554 -0.116 0.000 2.899 417 T HA 0.408 4.758 4.350 -0.000 0.000 0.295 417 T C 1.560 176.382 174.700 0.203 0.000 1.033 417 T CA -0.086 62.046 62.100 0.054 0.000 1.084 417 T CB 1.642 70.517 68.868 0.012 0.000 0.979 417 T HN 0.797 nan 8.240 nan 0.000 0.532 418 L N 1.556 122.942 121.223 0.271 0.000 2.141 418 L HA 0.124 4.464 4.340 -0.000 0.000 0.209 418 L C 1.341 178.399 176.870 0.315 0.000 1.094 418 L CA 1.227 56.299 54.840 0.387 0.000 0.763 418 L CB -0.267 41.921 42.059 0.214 0.000 0.908 418 L HN 1.082 nan 8.230 nan 0.000 0.437 419 T N -3.058 111.596 114.554 0.167 0.000 2.940 419 T HA 0.805 5.155 4.350 -0.000 0.000 0.288 419 T C -0.393 174.342 174.700 0.058 0.000 1.045 419 T CA -0.400 61.767 62.100 0.113 0.000 1.018 419 T CB 1.987 70.899 68.868 0.074 0.000 1.151 419 T HN 0.137 nan 8.240 nan 0.000 0.529 420 A N -0.607 122.235 122.820 0.036 0.000 2.387 420 A HA 0.955 5.275 4.320 -0.000 0.000 0.303 420 A C 0.581 178.178 177.584 0.021 0.000 1.145 420 A CA -0.571 51.471 52.037 0.009 0.000 0.801 420 A CB 0.655 19.646 19.000 -0.015 0.000 1.342 420 A HN 2.471 nan 8.150 nan 0.000 0.440 421 G N 0.501 109.313 108.800 0.021 0.000 2.956 421 G HA2 0.254 4.214 3.960 -0.000 0.000 0.263 421 G HA3 0.254 4.214 3.960 -0.000 0.000 0.263 421 G C 0.325 175.237 174.900 0.020 0.000 1.090 421 G CA 0.521 45.636 45.100 0.025 0.000 1.185 421 G HN 2.600 nan 8.290 nan 0.000 0.566 422 S N -2.462 113.249 115.700 0.018 0.000 3.524 422 S HA -0.222 4.248 4.470 -0.000 0.000 0.377 422 S C 0.460 175.069 174.600 0.015 0.000 0.949 422 S CA 0.967 59.176 58.200 0.015 0.000 1.264 422 S CB -1.462 61.747 63.200 0.014 0.000 0.918 422 S HN 2.200 nan 8.310 nan 0.000 0.517 423 L N 1.053 122.285 121.223 0.015 0.000 2.410 423 L HA 0.546 4.886 4.340 -0.000 0.000 0.273 423 L C 0.159 177.038 176.870 0.015 0.000 1.144 423 L CA 0.632 55.482 54.840 0.018 0.000 0.863 423 L CB 0.456 42.528 42.059 0.022 0.000 1.140 423 L HN 0.414 nan 8.230 nan 0.000 0.463 424 K N 3.745 124.155 120.400 0.016 0.000 2.345 424 K HA 0.653 4.973 4.320 -0.000 0.000 0.255 424 K C -0.722 175.889 176.600 0.018 0.000 0.934 424 K CA -0.624 55.672 56.287 0.015 0.000 0.801 424 K CB 1.858 34.365 32.500 0.012 0.000 1.137 424 K HN 0.763 nan 8.250 nan 0.000 0.424 425 T N -1.227 113.340 114.554 0.021 0.000 2.906 425 T HA 0.429 4.778 4.350 -0.000 0.000 0.295 425 T C -0.954 173.763 174.700 0.028 0.000 1.075 425 T CA -0.938 61.179 62.100 0.028 0.000 1.005 425 T CB 1.984 70.876 68.868 0.040 0.000 1.136 425 T HN 0.573 nan 8.240 nan 0.000 0.498 426 E N 1.096 121.315 120.200 0.032 0.000 2.210 426 E HA 0.538 4.888 4.350 -0.000 0.000 0.266 426 E C -1.213 175.418 176.600 0.052 0.000 0.883 426 E CA -0.996 55.424 56.400 0.033 0.000 0.761 426 E CB 1.310 31.024 29.700 0.023 0.000 1.156 426 E HN 0.678 nan 8.360 nan 0.000 0.412 427 I N 3.937 124.543 120.570 0.061 0.000 2.347 427 I HA 0.464 4.634 4.170 -0.000 0.000 0.283 427 I C -0.357 175.804 176.117 0.073 0.000 1.058 427 I CA -0.342 61.017 61.300 0.098 0.000 1.202 427 I CB 1.129 39.202 38.000 0.122 0.000 1.386 427 I HN 0.438 nan 8.210 nan 0.000 0.475 428 A N 4.077 126.932 122.820 0.057 0.000 2.414 428 A HA 0.541 4.861 4.320 -0.000 0.000 0.306 428 A C 0.065 177.668 177.584 0.031 0.000 1.054 428 A CA -0.415 51.646 52.037 0.039 0.000 0.724 428 A CB 1.011 20.026 19.000 0.024 0.000 1.267 428 A HN 0.776 nan 8.150 nan 0.000 0.418 429 D N 0.885 121.302 120.400 0.029 0.000 2.870 429 D HA -0.203 4.437 4.640 -0.000 0.000 0.228 429 D C 0.952 177.263 176.300 0.019 0.000 1.147 429 D CA 1.995 56.007 54.000 0.019 0.000 0.757 429 D CB -1.273 39.529 40.800 0.004 0.000 1.091 429 D HN 2.132 nan 8.370 nan 0.000 0.429 430 G N 0.088 108.919 108.800 0.052 0.000 2.176 430 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.252 430 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.252 430 G C 0.128 175.008 174.900 -0.033 0.000 1.024 430 G CA 1.123 46.266 45.100 0.072 0.000 0.755 430 G HN 0.503 nan 8.290 nan 0.000 0.507 431 K N -1.402 118.968 120.400 -0.050 0.000 2.480 431 K HA 0.721 5.041 4.320 -0.000 0.000 0.258 431 K C -0.850 175.708 176.600 -0.070 0.000 0.990 431 K CA -1.229 54.932 56.287 -0.209 0.000 0.857 431 K CB 2.117 34.527 32.500 -0.150 0.000 1.384 431 K HN 0.110 nan 8.250 nan 0.000 0.446 432 L N 1.592 122.733 121.223 -0.137 0.000 2.276 432 L HA 0.318 4.658 4.340 -0.000 0.000 0.286 432 L C -1.280 175.589 176.870 -0.003 0.000 1.061 432 L CA 0.185 55.049 54.840 0.039 0.000 0.807 432 L CB 0.464 42.587 42.059 0.108 0.000 1.177 432 L HN 0.545 nan 8.230 nan 0.000 0.429 433 N N 5.661 124.374 118.700 0.022 0.000 2.479 433 N HA 0.429 5.169 4.740 -0.000 0.000 0.261 433 N C -1.029 174.491 175.510 0.017 0.000 0.979 433 N CA -0.477 52.578 53.050 0.008 0.000 0.930 433 N CB 1.378 39.869 38.487 0.006 0.000 1.172 433 N HN 0.499 nan 8.380 nan 0.000 0.499 434 I N 2.938 123.514 120.570 0.012 0.000 2.389 434 I HA -0.021 4.149 4.170 -0.000 0.000 0.295 434 I C 1.525 177.648 176.117 0.010 0.000 1.117 434 I CA -0.286 61.022 61.300 0.015 0.000 1.317 434 I CB 0.448 38.456 38.000 0.013 0.000 1.431 434 I HN 0.524 nan 8.210 nan 0.000 0.521 435 V N 2.350 122.271 119.914 0.012 0.000 2.825 435 V HA 0.079 4.199 4.120 -0.000 0.000 0.246 435 V C 0.679 176.778 176.094 0.009 0.000 1.068 435 V CA 0.523 62.828 62.300 0.009 0.000 1.088 435 V CB -0.291 31.538 31.823 0.010 0.000 0.733 435 V HN 0.811 nan 8.190 nan 0.000 0.468 436 Q N 0.748 120.554 119.800 0.011 0.000 2.294 436 Q HA 0.382 4.722 4.340 -0.000 0.000 0.264 436 Q C -0.917 175.091 176.000 0.013 0.000 0.992 436 Q CA -0.510 55.299 55.803 0.011 0.000 0.747 436 Q CB 2.017 30.761 28.738 0.010 0.000 1.262 436 Q HN 0.529 nan 8.270 nan 0.000 0.452 437 E N 2.104 122.312 120.200 0.012 0.000 2.383 437 E HA 0.369 4.719 4.350 -0.000 0.000 0.264 437 E C -0.172 176.439 176.600 0.018 0.000 1.050 437 E CA 0.291 56.700 56.400 0.016 0.000 0.896 437 E CB 0.932 30.640 29.700 0.012 0.000 0.982 437 E HN 0.691 nan 8.360 nan 0.000 0.424 438 G N 2.896 111.710 108.800 0.023 0.000 2.491 438 G HA2 0.039 3.999 3.960 -0.000 0.000 0.238 438 G HA3 0.039 3.999 3.960 -0.000 0.000 0.238 438 G C 0.124 175.038 174.900 0.023 0.000 1.277 438 G CA -0.393 44.722 45.100 0.025 0.000 0.851 438 G HN 0.683 nan 8.290 nan 0.000 0.573 439 R N 0.186 120.699 120.500 0.022 0.000 2.240 439 R HA 0.113 4.453 4.340 -0.000 0.000 0.203 439 R C 0.138 176.452 176.300 0.023 0.000 1.011 439 R CA 0.122 56.234 56.100 0.020 0.000 1.007 439 R CB 0.158 30.468 30.300 0.018 0.000 0.911 439 R HN 0.267 nan 8.270 nan 0.000 0.468 440 V N 1.897 121.828 119.914 0.029 0.000 2.448 440 V HA 0.204 4.324 4.120 -0.000 0.000 0.295 440 V C -0.237 175.884 176.094 0.044 0.000 1.025 440 V CA -1.060 61.260 62.300 0.033 0.000 0.859 440 V CB 1.955 33.800 31.823 0.036 0.000 0.988 440 V HN 0.082 nan 8.190 nan 0.000 0.431 441 K N 3.372 123.799 120.400 0.045 0.000 2.322 441 K HA 0.320 4.640 4.320 -0.000 0.000 0.283 441 K C 0.460 177.104 176.600 0.074 0.000 1.042 441 K CA -0.227 56.101 56.287 0.068 0.000 0.958 441 K CB 1.278 33.808 32.500 0.050 0.000 0.984 441 K HN 0.551 nan 8.250 nan 0.000 0.473 442 K N 1.514 121.991 120.400 0.129 0.000 2.313 442 K HA 0.103 4.423 4.320 -0.000 0.000 0.197 442 K C -0.104 176.474 176.600 -0.036 0.000 1.061 442 K CA 0.365 56.691 56.287 0.065 0.000 0.980 442 K CB 0.316 32.898 32.500 0.138 0.000 0.888 442 K HN 0.358 nan 8.250 nan 0.000 0.502 443 F N 3.034 122.967 119.950 -0.027 0.000 2.423 443 F HA 0.248 4.775 4.527 -0.000 0.000 0.356 443 F C 0.533 176.323 175.800 -0.015 0.000 1.170 443 F CA -0.883 57.071 58.000 -0.078 0.000 1.163 443 F CB 0.111 38.915 39.000 -0.328 0.000 1.318 443 F HN -0.042 nan 8.300 nan 0.000 0.569 444 I N -0.481 120.203 120.570 0.190 0.000 2.982 444 I HA 0.562 4.732 4.170 -0.000 0.000 0.312 444 I C 1.123 177.388 176.117 0.247 0.000 1.041 444 I CA -1.143 60.254 61.300 0.163 0.000 1.053 444 I CB 1.699 39.734 38.000 0.059 0.000 1.248 444 I HN 0.370 nan 8.210 nan 0.000 0.471 445 R N 0.244 120.839 120.500 0.157 0.000 2.066 445 R HA 0.095 4.435 4.340 -0.000 0.000 0.232 445 R C -0.088 176.178 176.300 -0.057 0.000 1.131 445 R CA 1.276 57.422 56.100 0.077 0.000 0.955 445 R CB 0.292 30.625 30.300 0.055 0.000 0.851 445 R HN 0.663 nan 8.270 nan 0.000 0.432 446 E N 0.530 120.727 120.200 -0.005 0.000 2.260 446 E HA 0.183 4.533 4.350 -0.000 0.000 0.266 446 E C -1.188 175.420 176.600 0.013 0.000 0.887 446 E CA -0.433 55.975 56.400 0.013 0.000 0.777 446 E CB 1.979 31.702 29.700 0.038 0.000 1.205 446 E HN 0.174 nan 8.360 nan 0.000 0.414 447 L N 4.786 126.018 121.223 0.015 0.000 2.462 447 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 447 L C -0.809 176.068 176.870 0.012 0.000 1.166 447 L CA -1.025 53.817 54.840 0.004 0.000 0.880 447 L CB 0.145 42.211 42.059 0.011 0.000 1.142 447 L HN 0.287 nan 8.230 nan 0.000 0.473 448 P HA -0.054 nan 4.420 nan 0.000 0.221 448 P C -0.099 177.206 177.300 0.008 0.000 1.150 448 P CA 1.116 64.212 63.100 -0.007 0.000 0.800 448 P CB 0.511 32.193 31.700 -0.029 0.000 0.787 449 E N -0.525 119.682 120.200 0.011 0.000 2.291 449 E HA 0.401 4.751 4.350 -0.000 0.000 0.276 449 E C -0.747 175.970 176.600 0.195 0.000 0.896 449 E CA -0.643 55.817 56.400 0.099 0.000 0.774 449 E CB 2.117 31.861 29.700 0.072 0.000 1.227 449 E HN -0.018 nan 8.360 nan 0.000 0.413 450 I N 2.203 122.929 120.570 0.259 0.000 2.342 450 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 450 I C 1.019 177.368 176.117 0.385 0.000 1.010 450 I CA 0.123 61.574 61.300 0.251 0.000 1.308 450 I CB 1.333 39.425 38.000 0.154 0.000 1.400 450 I HN 0.580 nan 8.210 nan 0.000 0.488 451 T N 5.077 119.858 114.554 0.379 0.000 3.040 451 T HA 0.130 4.480 4.350 -0.000 0.000 0.252 451 T C -0.121 174.949 174.700 0.616 0.000 1.064 451 T CA 0.467 62.836 62.100 0.448 0.000 1.110 451 T CB 0.110 69.094 68.868 0.193 0.000 0.921 451 T HN 0.425 nan 8.240 nan 0.000 0.480 452 F N 1.638 121.825 119.950 0.394 0.000 2.573 452 F HA 0.621 5.148 4.527 -0.000 0.000 0.316 452 F C -0.779 175.150 175.800 0.215 0.000 1.148 452 F CA -1.238 56.989 58.000 0.379 0.000 0.940 452 F CB 1.839 41.162 39.000 0.538 0.000 1.214 452 F HN -0.181 nan 8.300 nan 0.000 0.448 453 S N 3.950 119.337 115.700 -0.523 0.000 2.452 453 S HA 0.416 4.886 4.470 -0.000 0.000 0.284 453 S C 1.123 175.233 174.600 -0.818 0.000 1.171 453 S CA 0.128 58.044 58.200 -0.474 0.000 1.064 453 S CB 0.900 63.939 63.200 -0.269 0.000 0.967 453 S HN 1.060 nan 8.310 nan 0.000 0.484 454 G N 4.481 113.051 108.800 -0.383 0.000 2.422 454 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 454 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 454 G C 1.329 176.166 174.900 -0.105 0.000 1.146 454 G CA 0.786 45.815 45.100 -0.120 0.000 0.769 454 G HN 0.717 nan 8.290 nan 0.000 0.547 455 K N 0.016 120.342 120.400 -0.124 0.000 2.025 455 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 455 K C 2.373 178.909 176.600 -0.107 0.000 1.049 455 K CA 0.936 57.167 56.287 -0.093 0.000 0.933 455 K CB -0.183 32.253 32.500 -0.108 0.000 0.714 455 K HN 0.175 nan 8.250 nan 0.000 0.438 456 I N 1.608 122.080 120.570 -0.162 0.000 2.361 456 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 456 I C 2.508 178.553 176.117 -0.118 0.000 1.133 456 I CA 1.281 62.495 61.300 -0.143 0.000 1.413 456 I CB -1.470 36.432 38.000 -0.163 0.000 1.073 456 I HN 0.245 nan 8.210 nan 0.000 0.424 457 A N 0.998 123.721 122.820 -0.161 0.000 1.877 457 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 457 A C 2.405 180.003 177.584 0.023 0.000 1.186 457 A CA 1.282 53.306 52.037 -0.021 0.000 0.620 457 A CB -0.790 18.278 19.000 0.113 0.000 0.822 457 A HN 0.382 nan 8.150 nan 0.000 0.443 458 L N -0.730 120.502 121.223 0.015 0.000 2.046 458 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 458 L C 2.610 179.480 176.870 -0.000 0.000 1.077 458 L CA 1.662 56.515 54.840 0.022 0.000 0.747 458 L CB -0.641 41.435 42.059 0.028 0.000 0.896 458 L HN 0.462 nan 8.230 nan 0.000 0.432 459 E N 0.091 120.278 120.200 -0.021 0.000 2.085 459 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 459 E C 2.142 178.728 176.600 -0.023 0.000 0.994 459 E CA 1.062 57.446 56.400 -0.028 0.000 0.801 459 E CB -0.081 29.591 29.700 -0.046 0.000 0.743 459 E HN 0.404 nan 8.360 nan 0.000 0.453 460 R N -0.390 120.096 120.500 -0.022 0.000 2.323 460 R HA 0.022 4.362 4.340 -0.000 0.000 0.198 460 R C 0.939 177.237 176.300 -0.004 0.000 0.988 460 R CA 0.470 56.562 56.100 -0.015 0.000 1.041 460 R CB 0.195 30.487 30.300 -0.014 0.000 0.926 460 R HN 0.247 nan 8.270 nan 0.000 0.476 461 G N 1.326 110.127 108.800 0.002 0.000 2.198 461 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 461 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 461 G C -0.037 174.867 174.900 0.008 0.000 1.042 461 G CA -0.127 44.975 45.100 0.005 0.000 0.791 461 G HN 0.177 nan 8.290 nan 0.000 0.502 462 L N -0.023 121.212 121.223 0.021 0.000 2.334 462 L HA 0.502 4.842 4.340 -0.000 0.000 0.277 462 L C 0.245 177.130 176.870 0.024 0.000 1.075 462 L CA -0.956 53.895 54.840 0.019 0.000 0.804 462 L CB 1.136 43.219 42.059 0.041 0.000 1.174 462 L HN 0.111 nan 8.230 nan 0.000 0.438 463 D N 2.223 122.616 120.400 -0.011 0.000 2.316 463 D HA 0.338 4.978 4.640 -0.000 0.000 0.245 463 D C -0.928 175.346 176.300 -0.044 0.000 1.171 463 D CA -0.116 53.875 54.000 -0.015 0.000 0.856 463 D CB 1.295 42.075 40.800 -0.033 0.000 1.090 463 D HN 0.084 nan 8.370 nan 0.000 0.476 464 V N 4.938 124.853 119.914 0.001 0.000 2.409 464 V HA 0.508 4.628 4.120 -0.000 0.000 0.291 464 V C 0.234 176.279 176.094 -0.082 0.000 1.020 464 V CA -0.837 61.427 62.300 -0.059 0.000 0.848 464 V CB 1.515 33.408 31.823 0.118 0.000 0.990 464 V HN 0.433 nan 8.190 nan 0.000 0.430 465 R N 3.126 123.489 120.500 -0.229 0.000 2.740 465 R HA 0.657 4.997 4.340 -0.000 0.000 0.282 465 R C -1.867 174.295 176.300 -0.230 0.000 0.969 465 R CA -0.590 55.456 56.100 -0.088 0.000 0.918 465 R CB 1.640 31.933 30.300 -0.010 0.000 1.175 465 R HN 0.630 nan 8.270 nan 0.000 0.464 466 Y N 3.857 124.351 120.300 0.323 0.000 2.363 466 Y HA 0.451 5.001 4.550 -0.000 0.000 0.325 466 Y C -0.338 175.816 175.900 0.423 0.000 0.984 466 Y CA -0.696 57.636 58.100 0.385 0.000 1.248 466 Y CB 1.140 39.807 38.460 0.345 0.000 1.116 466 Y HN 0.263 nan 8.280 nan 0.000 0.470 467 I N 4.200 125.054 120.570 0.473 0.000 2.321 467 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 467 I C 0.280 176.643 176.117 0.410 0.000 0.998 467 I CA -0.373 61.133 61.300 0.343 0.000 1.227 467 I CB 1.475 39.590 38.000 0.191 0.000 1.368 467 I HN 0.641 nan 8.210 nan 0.000 0.466 468 T N 1.108 115.865 114.554 0.339 0.000 2.910 468 T HA 0.251 4.601 4.350 -0.000 0.000 0.287 468 T C 0.915 175.708 174.700 0.155 0.000 1.050 468 T CA -0.674 61.608 62.100 0.304 0.000 1.011 468 T CB 1.835 70.939 68.868 0.394 0.000 1.195 468 T HN 0.630 nan 8.240 nan 0.000 0.540 469 E N 1.022 121.296 120.200 0.123 0.000 2.268 469 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 469 E C 1.583 178.267 176.600 0.139 0.000 0.995 469 E CA 1.075 57.526 56.400 0.085 0.000 0.836 469 E CB -0.175 29.566 29.700 0.068 0.000 0.763 469 E HN 0.879 nan 8.360 nan 0.000 0.491 470 R N 0.137 120.710 120.500 0.123 0.000 2.394 470 R HA 0.559 4.899 4.340 -0.000 0.000 0.220 470 R C 0.400 176.719 176.300 0.031 0.000 0.887 470 R CA 0.389 56.544 56.100 0.092 0.000 1.034 470 R CB 0.636 30.971 30.300 0.057 0.000 1.179 470 R HN 0.092 nan 8.270 nan 0.000 0.561 471 A N 0.660 123.489 122.820 0.015 0.000 2.594 471 A HA 0.608 4.928 4.320 -0.000 0.000 0.295 471 A C -1.489 176.007 177.584 -0.147 0.000 1.071 471 A CA -0.640 51.303 52.037 -0.155 0.000 0.685 471 A CB 2.302 21.107 19.000 -0.325 0.000 1.285 471 A HN -0.004 nan 8.150 nan 0.000 0.405 472 V N 1.254 120.993 119.914 -0.291 0.000 2.540 472 V HA 0.692 4.812 4.120 -0.000 0.000 0.302 472 V C -1.046 174.862 176.094 -0.311 0.000 1.035 472 V CA -0.311 61.918 62.300 -0.119 0.000 0.873 472 V CB 1.170 32.998 31.823 0.009 0.000 0.992 472 V HN 0.727 nan 8.190 nan 0.000 0.428 473 F N 1.018 121.101 119.950 0.221 0.000 2.579 473 F HA 0.771 5.298 4.527 -0.000 0.000 0.324 473 F C 0.481 176.492 175.800 0.352 0.000 1.058 473 F CA -0.649 57.509 58.000 0.263 0.000 0.944 473 F CB 2.436 41.587 39.000 0.252 0.000 1.245 473 F HN 0.308 nan 8.300 nan 0.000 0.477 474 T N 2.486 117.350 114.554 0.517 0.000 2.886 474 T HA 0.400 4.750 4.350 -0.000 0.000 0.292 474 T C -1.271 173.676 174.700 0.413 0.000 1.012 474 T CA -0.514 61.823 62.100 0.395 0.000 0.982 474 T CB 1.667 70.657 68.868 0.204 0.000 1.018 474 T HN 0.401 nan 8.240 nan 0.000 0.451 475 L N 4.312 125.798 121.223 0.438 0.000 2.360 475 L HA 0.458 4.798 4.340 -0.000 0.000 0.276 475 L C -0.138 176.842 176.870 0.183 0.000 1.121 475 L CA 0.549 55.609 54.840 0.366 0.000 0.845 475 L CB -0.128 42.198 42.059 0.446 0.000 1.143 475 L HN 0.402 nan 8.230 nan 0.000 0.452 476 K N 3.394 123.879 120.400 0.142 0.000 2.331 476 K HA 0.342 4.662 4.320 -0.000 0.000 0.238 476 K C 0.729 177.383 176.600 0.091 0.000 1.058 476 K CA -0.789 55.519 56.287 0.035 0.000 0.871 476 K CB 0.999 33.385 32.500 -0.191 0.000 1.292 476 K HN 0.448 nan 8.250 nan 0.000 0.470 477 E N 1.239 121.477 120.200 0.063 0.000 2.160 477 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 477 E C 0.715 177.367 176.600 0.087 0.000 0.991 477 E CA 1.426 57.865 56.400 0.066 0.000 0.810 477 E CB 0.028 29.756 29.700 0.046 0.000 0.742 477 E HN 0.573 nan 8.360 nan 0.000 0.466 478 D N -0.564 119.914 120.400 0.129 0.000 2.388 478 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 478 D C 0.919 177.298 176.300 0.132 0.000 1.133 478 D CA 0.445 54.520 54.000 0.126 0.000 0.831 478 D CB 0.406 41.288 40.800 0.136 0.000 0.962 478 D HN 0.106 nan 8.370 nan 0.000 0.502 479 G N -0.056 108.837 108.800 0.154 0.000 2.373 479 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.634 479 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.634 479 G C -1.365 173.683 174.900 0.247 0.000 1.267 479 G CA -0.845 44.326 45.100 0.118 0.000 1.008 479 G HN 0.168 nan 8.290 nan 0.000 0.497 480 L N 1.805 123.135 121.223 0.179 0.000 2.462 480 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 480 L C 0.906 178.013 176.870 0.395 0.000 1.166 480 L CA 0.367 55.374 54.840 0.278 0.000 0.880 480 L CB 0.355 42.484 42.059 0.118 0.000 1.142 480 L HN 0.516 nan 8.230 nan 0.000 0.473 481 H N 4.012 123.247 119.070 0.276 0.000 2.519 481 H HA 0.230 4.786 4.556 -0.000 0.000 0.316 481 H C -0.501 174.992 175.328 0.275 0.000 1.065 481 H CA -1.138 55.050 56.048 0.234 0.000 1.264 481 H CB 1.845 31.702 29.762 0.158 0.000 1.413 481 H HN 0.364 nan 8.280 nan 0.000 0.465 482 L N 6.011 127.381 121.223 0.246 0.000 2.385 482 L HA 0.076 4.416 4.340 -0.000 0.000 0.281 482 L C 0.871 177.708 176.870 -0.055 0.000 1.106 482 L CA 0.332 55.123 54.840 -0.082 0.000 0.856 482 L CB -0.212 41.752 42.059 -0.159 0.000 1.186 482 L HN 0.652 nan 8.230 nan 0.000 0.453 483 I N 0.174 120.694 120.570 -0.084 0.000 3.790 483 I HA 0.414 4.584 4.170 -0.000 0.000 0.305 483 I C 0.037 176.129 176.117 -0.041 0.000 1.253 483 I CA -0.078 61.218 61.300 -0.007 0.000 1.355 483 I CB 0.169 38.204 38.000 0.057 0.000 1.137 483 I HN 0.500 nan 8.210 nan 0.000 0.435 484 E N 1.652 121.784 120.200 -0.112 0.000 2.314 484 E HA 0.627 4.977 4.350 -0.000 0.000 0.272 484 E C -1.459 175.065 176.600 -0.126 0.000 0.884 484 E CA -0.691 55.664 56.400 -0.074 0.000 0.753 484 E CB 3.491 33.184 29.700 -0.012 0.000 1.213 484 E HN 0.192 nan 8.360 nan 0.000 0.432 485 I N 1.386 121.911 120.570 -0.074 0.000 2.545 485 I HA 0.579 4.749 4.170 -0.000 0.000 0.292 485 I C -0.887 175.203 176.117 -0.046 0.000 1.040 485 I CA -0.730 60.521 61.300 -0.081 0.000 1.068 485 I CB 1.350 39.294 38.000 -0.092 0.000 1.251 485 I HN 0.719 nan 8.210 nan 0.000 0.424 486 A N 8.859 131.659 122.820 -0.033 0.000 2.425 486 A HA 0.496 4.815 4.320 -0.000 0.000 0.249 486 A C -2.446 174.984 177.584 -0.258 0.000 1.084 486 A CA -1.125 50.852 52.037 -0.100 0.000 0.781 486 A CB -0.473 18.538 19.000 0.019 0.000 1.019 486 A HN 0.470 nan 8.150 nan 0.000 0.490 487 P HA 0.200 nan 4.420 nan 0.000 0.265 487 P C 0.828 177.931 177.300 -0.328 0.000 1.193 487 P CA 1.522 64.400 63.100 -0.370 0.000 0.765 487 P CB 0.773 32.206 31.700 -0.445 0.000 0.823 488 G N 0.939 109.625 108.800 -0.189 0.000 2.176 488 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.232 488 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.232 488 G C -0.225 174.620 174.900 -0.092 0.000 0.986 488 G CA -0.209 44.812 45.100 -0.131 0.000 0.643 488 G HN 0.564 nan 8.290 nan 0.000 0.522 489 V N 0.678 120.536 119.914 -0.094 0.000 2.555 489 V HA 0.576 4.696 4.120 -0.000 0.000 0.302 489 V C -0.266 175.793 176.094 -0.058 0.000 1.038 489 V CA -0.509 61.753 62.300 -0.063 0.000 0.887 489 V CB 1.914 33.703 31.823 -0.056 0.000 0.991 489 V HN 0.340 nan 8.190 nan 0.000 0.434 490 D N 2.618 122.991 120.400 -0.045 0.000 2.295 490 D HA 0.233 4.873 4.640 -0.000 0.000 0.248 490 D C 0.830 177.103 176.300 -0.045 0.000 1.154 490 D CA -0.443 53.532 54.000 -0.042 0.000 0.857 490 D CB 1.494 42.273 40.800 -0.034 0.000 1.117 490 D HN 0.380 nan 8.370 nan 0.000 0.468 491 L N 4.133 125.327 121.223 -0.048 0.000 2.013 491 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 491 L C 1.950 178.791 176.870 -0.048 0.000 1.073 491 L CA 2.028 56.836 54.840 -0.052 0.000 0.753 491 L CB -0.764 41.264 42.059 -0.051 0.000 0.890 491 L HN 0.627 nan 8.230 nan 0.000 0.432 492 Q N -0.314 119.461 119.800 -0.041 0.000 2.020 492 Q HA -0.164 4.176 4.340 -0.000 0.000 0.198 492 Q C 2.214 178.191 176.000 -0.039 0.000 0.974 492 Q CA 2.008 57.787 55.803 -0.039 0.000 0.829 492 Q CB -0.127 28.591 28.738 -0.032 0.000 0.894 492 Q HN 0.528 nan 8.270 nan 0.000 0.433 493 K N -0.241 120.139 120.400 -0.034 0.000 2.116 493 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 493 K C 1.241 177.824 176.600 -0.030 0.000 1.052 493 K CA 1.264 57.533 56.287 -0.029 0.000 0.952 493 K CB 0.158 32.644 32.500 -0.023 0.000 0.729 493 K HN 0.260 nan 8.250 nan 0.000 0.446 494 D N -0.077 120.304 120.400 -0.032 0.000 2.327 494 D HA 0.097 4.737 4.640 -0.000 0.000 0.205 494 D C 1.691 177.970 176.300 -0.034 0.000 0.989 494 D CA 0.710 54.695 54.000 -0.026 0.000 0.873 494 D CB 0.480 41.266 40.800 -0.023 0.000 0.955 494 D HN 0.176 nan 8.370 nan 0.000 0.515 495 I N -0.563 119.977 120.570 -0.050 0.000 3.632 495 I HA 0.014 4.184 4.170 -0.000 0.000 0.246 495 I C 2.076 178.134 176.117 -0.099 0.000 1.125 495 I CA -0.065 61.194 61.300 -0.068 0.000 1.519 495 I CB 0.093 38.056 38.000 -0.062 0.000 1.555 495 I HN -0.208 nan 8.210 nan 0.000 0.452 496 L N 1.248 122.419 121.223 -0.086 0.000 2.042 496 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 496 L C 1.676 178.483 176.870 -0.104 0.000 1.076 496 L CA 1.405 56.184 54.840 -0.102 0.000 0.749 496 L CB -0.641 41.375 42.059 -0.072 0.000 0.893 496 L HN 0.319 nan 8.230 nan 0.000 0.432 497 D N -0.333 120.023 120.400 -0.073 0.000 2.371 497 D HA -0.072 4.568 4.640 -0.000 0.000 0.221 497 D C 1.557 177.821 176.300 -0.059 0.000 0.986 497 D CA 0.764 54.729 54.000 -0.058 0.000 0.899 497 D CB 0.081 40.858 40.800 -0.039 0.000 0.902 497 D HN 0.191 nan 8.370 nan 0.000 0.530 498 K N -0.191 120.164 120.400 -0.074 0.000 2.399 498 K HA 0.263 4.583 4.320 -0.000 0.000 0.204 498 K C 0.414 176.959 176.600 -0.091 0.000 1.023 498 K CA -0.049 56.205 56.287 -0.056 0.000 1.127 498 K CB 0.794 33.276 32.500 -0.030 0.000 0.856 498 K HN 0.202 nan 8.250 nan 0.000 0.514 499 M N 0.212 119.706 119.600 -0.177 0.000 2.464 499 M HA 0.253 4.733 4.480 -0.000 0.000 0.308 499 M C -0.255 175.898 176.300 -0.245 0.000 1.127 499 M CA -0.560 54.558 55.300 -0.304 0.000 0.913 499 M CB 2.029 34.243 32.600 -0.643 0.000 1.689 499 M HN -0.229 nan 8.290 nan 0.000 0.445 500 D N 1.953 122.252 120.400 -0.168 0.000 2.319 500 D HA 0.196 4.836 4.640 -0.000 0.000 0.230 500 D C -0.685 175.656 176.300 0.069 0.000 1.094 500 D CA 0.678 54.664 54.000 -0.022 0.000 0.856 500 D CB -0.107 40.729 40.800 0.060 0.000 0.915 500 D HN 0.395 nan 8.370 nan 0.000 0.517 501 F N -2.171 117.750 119.950 -0.047 0.000 2.664 501 F HA 0.560 5.087 4.527 -0.000 0.000 0.317 501 F C -0.404 175.356 175.800 -0.066 0.000 1.108 501 F CA -1.274 56.686 58.000 -0.066 0.000 0.957 501 F CB 0.771 39.712 39.000 -0.099 0.000 1.365 501 F HN -0.472 nan 8.300 nan 0.000 0.475 502 T N 3.240 117.885 114.554 0.152 0.000 2.743 502 T HA 0.455 4.805 4.350 -0.000 0.000 0.292 502 T C -2.467 172.327 174.700 0.156 0.000 0.972 502 T CA -0.965 61.167 62.100 0.052 0.000 0.967 502 T CB 0.823 69.709 68.868 0.031 0.000 0.926 502 T HN 0.446 nan 8.240 nan 0.000 0.459 503 P HA 0.312 nan 4.420 nan 0.000 0.276 503 P C -0.503 176.819 177.300 0.037 0.000 1.244 503 P CA -0.553 62.636 63.100 0.149 0.000 0.801 503 P CB 0.657 32.479 31.700 0.203 0.000 1.006 504 V N 2.708 122.587 119.914 -0.059 0.000 2.521 504 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 504 V C 0.828 176.832 176.094 -0.149 0.000 1.034 504 V CA -0.193 61.971 62.300 -0.227 0.000 1.045 504 V CB -0.090 31.320 31.823 -0.687 0.000 0.974 504 V HN 0.323 nan 8.190 nan 0.000 0.480 505 I N 4.037 124.553 120.570 -0.090 0.000 2.322 505 I HA 0.153 4.323 4.170 -0.000 0.000 0.292 505 I C 0.857 176.957 176.117 -0.029 0.000 1.060 505 I CA 0.470 61.745 61.300 -0.043 0.000 1.309 505 I CB 0.795 38.776 38.000 -0.032 0.000 1.415 505 I HN 0.681 nan 8.210 nan 0.000 0.492 506 S N 9.257 124.969 115.700 0.019 0.000 2.552 506 S HA 0.098 4.568 4.470 -0.000 0.000 0.289 506 S C -0.796 173.830 174.600 0.043 0.000 1.304 506 S CA -0.783 57.464 58.200 0.078 0.000 1.063 506 S CB 0.584 63.851 63.200 0.112 0.000 0.848 506 S HN 0.485 nan 8.310 nan 0.000 0.499 507 P HA -0.072 nan 4.420 nan 0.000 0.219 507 P C 0.435 177.753 177.300 0.031 0.000 1.146 507 P CA 1.013 64.133 63.100 0.034 0.000 0.808 507 P CB 0.124 31.848 31.700 0.040 0.000 0.779 508 E N -0.402 119.824 120.200 0.043 0.000 2.437 508 E HA 0.076 4.426 4.350 -0.000 0.000 0.189 508 E C 0.679 177.297 176.600 0.030 0.000 1.054 508 E CA -0.698 55.724 56.400 0.037 0.000 0.874 508 E CB -0.633 29.094 29.700 0.045 0.000 1.011 508 E HN 0.204 nan 8.360 nan 0.000 0.474 509 L N 2.685 123.921 121.223 0.021 0.000 2.640 509 L HA -0.109 4.231 4.340 -0.000 0.000 0.280 509 L C 0.308 177.178 176.870 0.001 0.000 1.229 509 L CA 0.806 55.648 54.840 0.003 0.000 0.919 509 L CB 0.092 42.142 42.059 -0.015 0.000 1.168 509 L HN -0.001 nan 8.230 nan 0.000 0.496 510 K N 4.282 124.683 120.400 0.002 0.000 2.395 510 K HA 0.630 4.950 4.320 -0.000 0.000 0.245 510 K C -1.040 175.562 176.600 0.003 0.000 1.017 510 K CA -1.103 55.189 56.287 0.009 0.000 0.852 510 K CB 0.977 33.494 32.500 0.029 0.000 1.311 510 K HN 0.498 nan 8.250 nan 0.000 0.452 511 L N 1.942 123.169 121.223 0.007 0.000 2.439 511 L HA 0.200 4.540 4.340 -0.000 0.000 0.269 511 L C 0.464 177.371 176.870 0.061 0.000 1.179 511 L CA -0.427 54.416 54.840 0.004 0.000 0.828 511 L CB 0.448 42.496 42.059 -0.017 0.000 1.106 511 L HN 0.584 nan 8.230 nan 0.000 0.467 512 M N 2.218 121.876 119.600 0.097 0.000 2.249 512 M HA -0.022 4.458 4.480 -0.000 0.000 0.340 512 M C 0.406 176.880 176.300 0.289 0.000 1.166 512 M CA 0.058 55.486 55.300 0.212 0.000 1.115 512 M CB 0.013 32.813 32.600 0.332 0.000 1.606 512 M HN 0.474 nan 8.290 nan 0.000 0.448 513 D N 3.048 123.622 120.400 0.289 0.000 2.658 513 D HA -0.127 4.513 4.640 -0.000 0.000 0.230 513 D C 0.898 177.400 176.300 0.337 0.000 1.118 513 D CA 0.567 54.750 54.000 0.306 0.000 0.848 513 D CB 0.626 41.701 40.800 0.458 0.000 1.160 513 D HN 0.736 nan 8.370 nan 0.000 0.497 514 E N 3.851 124.204 120.200 0.254 0.000 2.097 514 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 514 E C 1.619 178.385 176.600 0.277 0.000 1.000 514 E CA 1.113 57.658 56.400 0.242 0.000 0.804 514 E CB 0.209 29.989 29.700 0.134 0.000 0.740 514 E HN 0.495 nan 8.360 nan 0.000 0.454 515 R N 0.023 120.654 120.500 0.219 0.000 2.152 515 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 515 R C 2.551 178.918 176.300 0.113 0.000 1.117 515 R CA 0.915 57.118 56.100 0.171 0.000 0.981 515 R CB -0.281 30.127 30.300 0.179 0.000 0.870 515 R HN 0.264 nan 8.270 nan 0.000 0.451 516 L N -0.433 120.823 121.223 0.054 0.000 2.127 516 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 516 L C 1.300 177.933 176.870 -0.394 0.000 1.089 516 L CA 1.346 56.015 54.840 -0.285 0.000 0.757 516 L CB -0.218 41.475 42.059 -0.609 0.000 0.899 516 L HN 0.153 nan 8.230 nan 0.000 0.434 517 F N -0.882 119.067 119.950 -0.002 0.000 2.693 517 F HA 0.274 4.801 4.527 -0.000 0.000 0.303 517 F C 0.728 176.530 175.800 0.004 0.000 1.097 517 F CA -0.265 57.732 58.000 -0.005 0.000 1.330 517 F CB 0.056 39.053 39.000 -0.005 0.000 1.067 517 F HN -0.131 nan 8.300 nan 0.000 0.565 518 I N 0.433 121.082 120.570 0.131 0.000 2.359 518 I HA 0.110 4.280 4.170 -0.000 0.000 0.294 518 I C 0.185 176.330 176.117 0.047 0.000 0.987 518 I CA -0.558 60.796 61.300 0.090 0.000 1.225 518 I CB 1.039 39.093 38.000 0.090 0.000 1.366 518 I HN -0.193 nan 8.210 nan 0.000 0.466 519 D N 6.287 126.711 120.400 0.040 0.000 2.982 519 D HA 0.389 5.029 4.640 -0.000 0.000 0.238 519 D C -0.341 175.972 176.300 0.022 0.000 1.168 519 D CA 0.271 54.285 54.000 0.022 0.000 0.947 519 D CB -0.043 40.770 40.800 0.020 0.000 1.147 519 D HN 0.608 nan 8.370 nan 0.000 0.450 520 A N -0.168 122.668 122.820 0.026 0.000 2.602 520 A HA 0.744 5.064 4.320 -0.000 0.000 0.290 520 A C -0.625 176.980 177.584 0.035 0.000 1.114 520 A CA -0.433 51.622 52.037 0.029 0.000 0.683 520 A CB 0.823 19.843 19.000 0.033 0.000 1.281 520 A HN 0.235 nan 8.150 nan 0.000 0.416 521 A N 0.542 123.385 122.820 0.039 0.000 2.540 521 A HA 0.414 4.734 4.320 -0.000 0.000 0.239 521 A C 0.942 178.571 177.584 0.075 0.000 1.061 521 A CA 0.431 52.501 52.037 0.054 0.000 0.758 521 A CB -0.459 18.573 19.000 0.052 0.000 0.991 521 A HN 0.846 nan 8.150 nan 0.000 0.502 522 M N 2.194 121.857 119.600 0.105 0.000 2.419 522 M HA 0.085 4.565 4.480 -0.000 0.000 0.264 522 M C 1.604 177.989 176.300 0.141 0.000 1.082 522 M CA 1.225 56.609 55.300 0.140 0.000 1.119 522 M CB -0.086 32.636 32.600 0.203 0.000 1.398 522 M HN 1.288 nan 8.290 nan 0.000 0.453 523 G N 1.695 110.573 108.800 0.130 0.000 2.198 523 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 523 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 523 G C -0.091 174.871 174.900 0.105 0.000 1.025 523 G CA -0.271 44.885 45.100 0.094 0.000 0.769 523 G HN 0.488 nan 8.290 nan 0.000 0.507 524 F N 1.210 121.172 119.950 0.019 0.000 2.578 524 F HA 0.449 4.976 4.527 -0.000 0.000 0.376 524 F C 0.745 176.531 175.800 -0.024 0.000 1.085 524 F CA -0.170 57.820 58.000 -0.016 0.000 1.260 524 F CB 0.959 39.990 39.000 0.051 0.000 1.095 524 F HN 0.544 nan 8.300 nan 0.000 0.573 525 V N 6.674 126.072 119.914 -0.860 0.000 2.334 525 V HA 0.420 4.540 4.120 -0.000 0.000 0.281 525 V C -0.519 174.894 176.094 -1.136 0.000 1.016 525 V CA -1.176 60.684 62.300 -0.733 0.000 0.832 525 V CB 0.856 32.460 31.823 -0.365 0.000 0.999 525 V HN 0.827 nan 8.190 nan 0.000 0.439 526 L N 8.138 128.850 121.223 -0.851 0.000 2.513 526 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 526 L C -2.032 174.680 176.870 -0.263 0.000 1.187 526 L CA -0.727 53.824 54.840 -0.482 0.000 0.895 526 L CB 0.168 42.206 42.059 -0.035 0.000 1.147 526 L HN 0.538 nan 8.230 nan 0.000 0.483 527 P HA 0.037 nan 4.420 nan 0.000 0.267 527 P C -0.696 176.575 177.300 -0.049 0.000 1.200 527 P CA -0.178 62.862 63.100 -0.099 0.000 0.772 527 P CB 0.366 32.038 31.700 -0.047 0.000 0.855 528 E N 0.834 121.008 120.200 -0.043 0.000 2.408 528 E HA 0.207 4.557 4.350 -0.000 0.000 0.259 528 E C 0.557 177.155 176.600 -0.002 0.000 1.110 528 E CA -0.088 56.299 56.400 -0.020 0.000 0.929 528 E CB 0.374 30.061 29.700 -0.023 0.000 0.971 528 E HN 0.466 nan 8.360 nan 0.000 0.438 529 A N 0.000 122.826 122.820 0.010 0.000 2.254 529 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 529 A CA 0.000 52.048 52.037 0.019 0.000 0.836 529 A CB 0.000 19.015 19.000 0.026 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486