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_A 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 0.000 176.185 176.094 0.152 0.000 1.182 4 V CA 0.000 62.369 62.300 0.115 0.000 1.235 4 V CB 0.000 31.901 31.823 0.130 0.000 1.184 5 K N 3.800 124.228 120.400 0.047 0.000 2.267 5 K HA 0.884 5.204 4.320 -0.000 0.000 0.246 5 K C -2.818 173.714 176.600 -0.114 0.000 0.954 5 K CA -1.772 54.450 56.287 -0.108 0.000 0.824 5 K CB 2.332 34.772 32.500 -0.101 0.000 1.167 5 K HN 0.539 nan 8.250 nan 0.000 0.431 6 P HA 0.121 nan 4.420 nan 0.000 0.268 6 P C -2.399 174.868 177.300 -0.055 0.000 1.205 6 P CA -0.890 62.136 63.100 -0.123 0.000 0.771 6 P CB -0.217 31.356 31.700 -0.213 0.000 0.858 7 P HA 0.197 nan 4.420 nan 0.000 0.275 7 P C -0.192 177.111 177.300 0.005 0.000 1.227 7 P CA -0.148 62.956 63.100 0.007 0.000 0.781 7 P CB 0.825 32.539 31.700 0.022 0.000 0.906 8 R N 2.654 123.160 120.500 0.009 0.000 2.343 8 R HA 0.268 4.608 4.340 -0.000 0.000 0.326 8 R C 0.069 176.381 176.300 0.019 0.000 1.055 8 R CA -0.450 55.659 56.100 0.015 0.000 0.961 8 R CB 0.084 30.399 30.300 0.026 0.000 0.978 8 R HN 0.423 nan 8.270 nan 0.000 0.443 9 I N 3.976 124.557 120.570 0.018 0.000 2.331 9 I HA 0.049 4.219 4.170 -0.000 0.000 0.292 9 I C 0.558 176.687 176.117 0.020 0.000 0.998 9 I CA -0.447 60.865 61.300 0.019 0.000 1.267 9 I CB 0.902 38.914 38.000 0.019 0.000 1.386 9 I HN 0.710 nan 8.210 nan 0.000 0.476 10 N N 4.986 123.698 118.700 0.020 0.000 2.741 10 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 10 N C 1.114 176.639 175.510 0.025 0.000 1.115 10 N CA 1.088 54.150 53.050 0.020 0.000 0.724 10 N CB -1.121 37.377 38.487 0.017 0.000 1.090 10 N HN 1.104 nan 8.380 nan 0.000 0.558 11 G N -0.614 108.204 108.800 0.030 0.000 2.184 11 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.264 11 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.264 11 G C 0.164 175.093 174.900 0.048 0.000 0.975 11 G CA 0.747 45.873 45.100 0.042 0.000 0.642 11 G HN 0.558 nan 8.290 nan 0.000 0.536 12 R N -0.115 120.407 120.500 0.037 0.000 2.441 12 R HA 0.512 4.852 4.340 -0.000 0.000 0.284 12 R C 0.485 176.801 176.300 0.028 0.000 1.070 12 R CA -0.373 55.748 56.100 0.035 0.000 1.047 12 R CB 1.961 32.276 30.300 0.025 0.000 1.016 12 R HN 0.185 nan 8.270 nan 0.000 0.477 13 V N 5.099 125.028 119.914 0.026 0.000 2.585 13 V HA 0.094 4.214 4.120 -0.000 0.000 0.296 13 V C -1.994 174.100 176.094 -0.000 0.000 1.035 13 V CA -1.682 60.623 62.300 0.009 0.000 1.084 13 V CB 0.814 32.636 31.823 -0.002 0.000 0.953 13 V HN 0.626 nan 8.190 nan 0.000 0.483 14 P HA 0.120 nan 4.420 nan 0.000 0.264 14 P C -1.047 176.244 177.300 -0.015 0.000 1.193 14 P CA 0.223 63.314 63.100 -0.016 0.000 0.763 14 P CB 0.453 32.126 31.700 -0.044 0.000 0.810 15 V N 5.511 125.423 119.914 -0.002 0.000 2.384 15 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 15 V C 0.282 176.382 176.094 0.010 0.000 1.020 15 V CA -0.310 61.989 62.300 -0.001 0.000 0.850 15 V CB 0.994 32.818 31.823 0.001 0.000 0.987 15 V HN 0.391 nan 8.190 nan 0.000 0.436 16 L N 3.146 124.376 121.223 0.012 0.000 2.327 16 L HA 0.633 4.973 4.340 -0.000 0.000 0.258 16 L C 0.423 177.304 176.870 0.018 0.000 1.024 16 L CA -0.656 54.203 54.840 0.031 0.000 0.825 16 L CB 2.722 44.820 42.059 0.064 0.000 1.386 16 L HN 0.725 nan 8.230 nan 0.000 0.417 17 S N 0.156 115.870 115.700 0.023 0.000 2.600 17 S HA 0.308 4.778 4.470 -0.000 0.000 0.265 17 S C 1.073 175.677 174.600 0.006 0.000 1.325 17 S CA 0.012 58.218 58.200 0.009 0.000 1.002 17 S CB 1.474 64.681 63.200 0.011 0.000 0.921 17 S HN 0.739 nan 8.310 nan 0.000 0.554 18 A N 1.325 124.134 122.820 -0.018 0.000 1.908 18 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 18 A C 2.258 179.838 177.584 -0.007 0.000 1.181 18 A CA 2.012 54.024 52.037 -0.042 0.000 0.627 18 A CB -1.293 17.664 19.000 -0.071 0.000 0.818 18 A HN 0.861 nan 8.150 nan 0.000 0.445 19 Q N -0.066 119.739 119.800 0.007 0.000 2.061 19 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 19 Q C 1.934 177.960 176.000 0.042 0.000 0.984 19 Q CA 2.145 57.962 55.803 0.023 0.000 0.846 19 Q CB -0.348 28.400 28.738 0.016 0.000 0.902 19 Q HN 0.822 nan 8.270 nan 0.000 0.421 20 E N -0.007 120.225 120.200 0.053 0.000 2.072 20 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 20 E C 1.958 178.664 176.600 0.178 0.000 0.985 20 E CA 0.875 57.327 56.400 0.087 0.000 0.801 20 E CB -0.220 29.540 29.700 0.100 0.000 0.750 20 E HN 0.398 nan 8.360 nan 0.000 0.452 21 A N 1.312 124.232 122.820 0.167 0.000 1.902 21 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 21 A C 2.544 180.296 177.584 0.281 0.000 1.181 21 A CA 1.730 53.904 52.037 0.229 0.000 0.623 21 A CB -0.913 18.140 19.000 0.088 0.000 0.818 21 A HN 0.250 nan 8.150 nan 0.000 0.443 22 V N -2.086 117.936 119.914 0.180 0.000 2.970 22 V HA -0.117 4.003 4.120 -0.000 0.000 0.260 22 V C 1.496 177.686 176.094 0.160 0.000 1.100 22 V CA 1.958 64.382 62.300 0.207 0.000 1.122 22 V CB -1.116 30.814 31.823 0.179 0.000 0.721 22 V HN 0.421 nan 8.190 nan 0.000 0.483 23 N N 0.152 118.904 118.700 0.087 0.000 2.519 23 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 23 N C 1.211 176.644 175.510 -0.129 0.000 1.062 23 N CA 1.356 54.379 53.050 -0.045 0.000 0.910 23 N CB -0.439 37.961 38.487 -0.145 0.000 0.958 23 N HN 0.726 nan 8.380 nan 0.000 0.445 24 Y N 0.198 120.537 120.300 0.065 0.000 2.490 24 Y HA 0.272 4.822 4.550 -0.000 0.000 0.281 24 Y C 0.647 176.583 175.900 0.059 0.000 1.174 24 Y CA -0.135 58.000 58.100 0.058 0.000 1.295 24 Y CB 0.242 38.737 38.460 0.059 0.000 1.062 24 Y HN -0.084 nan 8.280 nan 0.000 0.522 25 I N 4.277 124.953 120.570 0.177 0.000 2.322 25 I HA 0.164 4.334 4.170 -0.000 0.000 0.292 25 I C -2.077 174.086 176.117 0.077 0.000 1.060 25 I CA -1.996 59.378 61.300 0.124 0.000 1.309 25 I CB 0.710 38.786 38.000 0.127 0.000 1.415 25 I HN -0.103 nan 8.210 nan 0.000 0.492 26 P HA 0.187 nan 4.420 nan 0.000 0.278 26 P C -0.881 176.438 177.300 0.032 0.000 1.258 26 P CA -0.570 62.553 63.100 0.039 0.000 0.811 26 P CB 0.680 32.398 31.700 0.031 0.000 1.063 27 D N 0.732 121.151 120.400 0.032 0.000 2.506 27 D HA -0.051 4.589 4.640 -0.000 0.000 0.234 27 D C 0.821 177.128 176.300 0.011 0.000 1.143 27 D CA 0.903 54.922 54.000 0.031 0.000 0.871 27 D CB -0.104 40.715 40.800 0.032 0.000 1.190 27 D HN 0.476 nan 8.370 nan 0.000 0.459 28 E N -1.575 118.628 120.200 0.005 0.000 3.496 28 E HA -0.256 4.094 4.350 -0.000 0.000 0.300 28 E C -0.236 176.335 176.600 -0.047 0.000 0.877 28 E CA 0.618 57.005 56.400 -0.021 0.000 1.050 28 E CB -1.027 28.658 29.700 -0.025 0.000 1.532 28 E HN 0.569 nan 8.360 nan 0.000 0.447 29 A N 0.677 123.477 122.820 -0.034 0.000 2.425 29 A HA 0.343 4.663 4.320 -0.000 0.000 0.242 29 A C 0.496 178.034 177.584 -0.077 0.000 1.077 29 A CA 0.489 52.496 52.037 -0.051 0.000 0.781 29 A CB 0.516 19.498 19.000 -0.030 0.000 1.020 29 A HN 0.088 nan 8.150 nan 0.000 0.494 30 T N 2.297 116.793 114.554 -0.097 0.000 2.753 30 T HA 0.429 4.779 4.350 -0.000 0.000 0.297 30 T C -0.463 174.178 174.700 -0.097 0.000 0.981 30 T CA -0.034 62.002 62.100 -0.106 0.000 0.956 30 T CB 0.289 69.069 68.868 -0.147 0.000 0.936 30 T HN 0.523 nan 8.240 nan 0.000 0.463 31 L N 4.338 125.495 121.223 -0.110 0.000 2.282 31 L HA 0.632 4.972 4.340 -0.000 0.000 0.288 31 L C -0.493 176.284 176.870 -0.155 0.000 1.033 31 L CA -0.640 54.078 54.840 -0.203 0.000 0.807 31 L CB 0.809 42.673 42.059 -0.324 0.000 1.209 31 L HN 0.751 nan 8.230 nan 0.000 0.423 32 C N 5.780 124.994 119.300 -0.144 0.000 2.295 32 C HA 0.749 5.209 4.460 -0.000 0.000 0.331 32 C C -0.283 174.667 174.990 -0.068 0.000 1.280 32 C CA -0.533 58.443 59.018 -0.071 0.000 1.746 32 C CB 0.412 28.139 27.740 -0.021 0.000 2.328 32 C HN 0.648 nan 8.230 nan 0.000 0.521 33 V N 7.896 127.795 119.914 -0.025 0.000 2.334 33 V HA 0.307 4.427 4.120 -0.000 0.000 0.281 33 V C 0.113 176.253 176.094 0.076 0.000 1.016 33 V CA -0.552 61.780 62.300 0.052 0.000 0.832 33 V CB 1.011 32.871 31.823 0.061 0.000 0.999 33 V HN 0.816 nan 8.190 nan 0.000 0.439 34 L N 4.899 126.191 121.223 0.115 0.000 2.456 34 L HA 0.750 5.090 4.340 -0.000 0.000 0.272 34 L C 0.588 177.516 176.870 0.096 0.000 1.189 34 L CA 1.629 56.533 54.840 0.106 0.000 0.846 34 L CB 0.594 42.732 42.059 0.132 0.000 1.111 34 L HN 0.988 nan 8.230 nan 0.000 0.475 35 G N 2.409 111.255 108.800 0.076 0.000 2.333 35 G HA2 0.557 4.517 3.960 -0.000 0.000 0.330 35 G HA3 0.557 4.517 3.960 -0.000 0.000 0.330 35 G C -1.700 173.220 174.900 0.034 0.000 1.465 35 G CA -0.257 44.874 45.100 0.053 0.000 0.996 35 G HN 1.083 nan 8.290 nan 0.000 0.655 36 A N -0.720 122.101 122.820 0.003 0.000 2.548 36 A HA 1.036 5.356 4.320 -0.000 0.000 0.262 36 A C 0.813 178.362 177.584 -0.058 0.000 1.271 36 A CA 0.270 52.302 52.037 -0.009 0.000 0.839 36 A CB 0.740 19.740 19.000 -0.000 0.000 1.381 36 A HN 2.405 nan 8.150 nan 0.000 0.468 37 G N -1.571 107.192 108.800 -0.062 0.000 2.491 37 G HA2 0.507 4.467 3.960 -0.000 0.000 0.242 37 G HA3 0.507 4.467 3.960 -0.000 0.000 0.242 37 G C 1.097 175.885 174.900 -0.187 0.000 1.266 37 G CA 0.619 45.669 45.100 -0.083 0.000 0.844 37 G HN 2.328 nan 8.290 nan 0.000 0.571 38 G N -0.503 108.130 108.800 -0.278 0.000 2.198 38 G HA2 0.199 4.159 3.960 -0.000 0.000 0.260 38 G HA3 0.199 4.159 3.960 -0.000 0.000 0.260 38 G C 1.371 175.645 174.900 -1.044 0.000 1.025 38 G CA 1.052 45.855 45.100 -0.495 0.000 0.769 38 G HN 2.600 nan 8.290 nan 0.000 0.507 39 G N -1.412 106.628 108.800 -1.267 0.000 2.175 39 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 39 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 39 G C 0.499 175.220 174.900 -0.299 0.000 0.982 39 G CA 0.153 44.728 45.100 -0.875 0.000 0.641 39 G HN 1.389 nan 8.290 nan 0.000 0.527 40 I N 1.533 121.969 120.570 -0.224 0.000 2.742 40 I HA 0.111 4.281 4.170 -0.000 0.000 0.287 40 I C 1.849 177.945 176.117 -0.036 0.000 1.186 40 I CA 0.442 61.685 61.300 -0.095 0.000 1.417 40 I CB 0.357 38.316 38.000 -0.068 0.000 1.377 40 I HN 0.286 nan 8.210 nan 0.000 0.556 41 L N 4.555 125.780 121.223 0.003 0.000 3.858 41 L HA -0.250 4.089 4.340 -0.000 0.000 0.425 41 L C 0.688 177.587 176.870 0.049 0.000 1.177 41 L CA 0.532 55.404 54.840 0.052 0.000 0.943 41 L CB -1.057 41.073 42.059 0.118 0.000 1.861 41 L HN 0.715 nan 8.230 nan 0.000 0.985 42 E N 0.662 120.876 120.200 0.024 0.000 2.200 42 E HA 0.446 4.796 4.350 -0.000 0.000 0.283 42 E C 0.521 177.152 176.600 0.051 0.000 1.015 42 E CA 0.213 56.644 56.400 0.053 0.000 0.819 42 E CB 1.219 30.953 29.700 0.056 0.000 1.081 42 E HN 0.289 nan 8.360 nan 0.000 0.397 43 A N 4.535 127.387 122.820 0.052 0.000 3.037 43 A HA 0.095 4.415 4.320 -0.000 0.000 0.272 43 A C 1.106 178.671 177.584 -0.031 0.000 1.723 43 A CA -0.218 51.813 52.037 -0.010 0.000 1.413 43 A CB -0.423 18.552 19.000 -0.043 0.000 1.112 43 A HN 0.797 nan 8.150 nan 0.000 0.606 44 T N 0.647 115.212 114.554 0.018 0.000 2.699 44 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 44 T C 2.322 177.006 174.700 -0.027 0.000 1.036 44 T CA 2.413 64.534 62.100 0.035 0.000 1.147 44 T CB -0.409 68.509 68.868 0.082 0.000 0.862 44 T HN 0.899 nan 8.240 nan 0.000 0.446 45 T N 0.905 115.423 114.554 -0.059 0.000 2.881 45 T HA 0.028 4.378 4.350 -0.000 0.000 0.270 45 T C 1.980 176.591 174.700 -0.148 0.000 1.068 45 T CA 0.804 62.856 62.100 -0.079 0.000 1.131 45 T CB -0.616 68.211 68.868 -0.069 0.000 0.871 45 T HN 0.301 nan 8.240 nan 0.000 0.479 46 L N -0.206 120.845 121.223 -0.287 0.000 2.095 46 L HA 0.187 4.527 4.340 -0.000 0.000 0.204 46 L C 2.743 179.375 176.870 -0.397 0.000 1.080 46 L CA 0.883 55.372 54.840 -0.586 0.000 0.759 46 L CB -0.420 40.864 42.059 -1.292 0.000 0.914 46 L HN 0.214 nan 8.230 nan 0.000 0.439 47 I N -0.475 120.001 120.570 -0.157 0.000 2.163 47 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 47 I C 2.509 178.673 176.117 0.078 0.000 1.085 47 I CA 1.589 62.963 61.300 0.122 0.000 1.347 47 I CB -0.542 37.547 38.000 0.148 0.000 1.044 47 I HN 0.239 nan 8.210 nan 0.000 0.408 48 T N 0.673 115.240 114.554 0.021 0.000 2.684 48 T HA -0.204 4.145 4.350 -0.000 0.000 0.267 48 T C 2.048 176.766 174.700 0.029 0.000 1.036 48 T CA 1.630 63.742 62.100 0.021 0.000 1.148 48 T CB -0.381 68.487 68.868 -0.001 0.000 0.863 48 T HN 0.496 nan 8.240 nan 0.000 0.436 49 A N 1.152 123.976 122.820 0.006 0.000 1.902 49 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 49 A C 2.251 179.877 177.584 0.070 0.000 1.181 49 A CA 1.341 53.391 52.037 0.022 0.000 0.623 49 A CB -0.822 18.173 19.000 -0.009 0.000 0.818 49 A HN 0.409 nan 8.150 nan 0.000 0.443 50 L N -0.136 121.153 121.223 0.110 0.000 2.017 50 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 50 L C 2.654 179.618 176.870 0.156 0.000 1.073 50 L CA 2.280 57.225 54.840 0.175 0.000 0.745 50 L CB -0.874 41.358 42.059 0.288 0.000 0.894 50 L HN 0.345 nan 8.230 nan 0.000 0.432 51 A N -0.647 122.250 122.820 0.129 0.000 1.883 51 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 51 A C 1.988 179.649 177.584 0.128 0.000 1.186 51 A CA 1.963 54.072 52.037 0.120 0.000 0.624 51 A CB -0.963 18.088 19.000 0.085 0.000 0.822 51 A HN 0.546 nan 8.150 nan 0.000 0.444 52 D N -0.520 119.934 120.400 0.090 0.000 2.117 52 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 52 D C 1.875 178.220 176.300 0.074 0.000 0.987 52 D CA 1.610 55.652 54.000 0.070 0.000 0.829 52 D CB -0.269 40.557 40.800 0.043 0.000 0.961 52 D HN 0.634 nan 8.370 nan 0.000 0.460 53 K N -0.471 119.983 120.400 0.090 0.000 2.057 53 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 53 K C 2.231 178.883 176.600 0.087 0.000 1.049 53 K CA 0.865 57.199 56.287 0.078 0.000 0.931 53 K CB -0.263 32.291 32.500 0.089 0.000 0.714 53 K HN 0.113 nan 8.250 nan 0.000 0.440 54 Y N 1.754 122.074 120.300 0.034 0.000 2.224 54 Y HA -0.204 4.346 4.550 -0.000 0.000 0.289 54 Y C 2.304 178.219 175.900 0.024 0.000 1.146 54 Y CA 1.940 60.058 58.100 0.031 0.000 1.182 54 Y CB 0.005 38.487 38.460 0.038 0.000 0.983 54 Y HN 0.029 nan 8.280 nan 0.000 0.524 55 K N -0.081 120.397 120.400 0.130 0.000 2.063 55 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 55 K C 1.919 178.500 176.600 -0.031 0.000 1.048 55 K CA 2.144 58.465 56.287 0.057 0.000 0.928 55 K CB -0.137 32.407 32.500 0.073 0.000 0.713 55 K HN 0.478 nan 8.250 nan 0.000 0.442 56 Q N -1.139 118.642 119.800 -0.031 0.000 2.302 56 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 56 Q C 1.450 177.400 176.000 -0.082 0.000 0.936 56 Q CA 1.550 57.326 55.803 -0.044 0.000 0.886 56 Q CB 0.672 29.398 28.738 -0.019 0.000 0.986 56 Q HN 0.503 nan 8.270 nan 0.000 0.487 57 T N -4.774 109.705 114.554 -0.125 0.000 2.986 57 T HA 0.112 4.462 4.350 -0.000 0.000 0.264 57 T C 0.211 174.763 174.700 -0.248 0.000 0.964 57 T CA -0.145 61.873 62.100 -0.137 0.000 0.895 57 T CB 0.491 69.312 68.868 -0.079 0.000 1.163 57 T HN 0.007 nan 8.240 nan 0.000 0.517 58 Q N 1.891 121.386 119.800 -0.507 0.000 2.481 58 Q HA -0.143 4.197 4.340 -0.000 0.000 0.272 58 Q C 0.052 175.753 176.000 -0.497 0.000 1.157 58 Q CA 1.396 56.597 55.803 -1.002 0.000 0.935 58 Q CB -2.684 25.688 28.738 -0.611 0.000 1.338 58 Q HN 0.942 nan 8.270 nan 0.000 0.494 59 T N -3.584 110.864 114.554 -0.176 0.000 2.907 59 T HA 0.829 5.179 4.350 -0.000 0.000 0.292 59 T C -2.725 172.109 174.700 0.225 0.000 1.043 59 T CA -2.107 60.044 62.100 0.086 0.000 1.003 59 T CB 3.183 72.065 68.868 0.024 0.000 1.084 59 T HN -0.134 nan 8.240 nan 0.000 0.483 60 P HA 0.418 nan 4.420 nan 0.000 0.279 60 P C -0.853 176.586 177.300 0.231 0.000 1.282 60 P CA -0.762 62.439 63.100 0.168 0.000 0.788 60 P CB 0.867 32.633 31.700 0.109 0.000 1.139 61 R N 0.204 120.795 120.500 0.151 0.000 2.740 61 R HA 0.331 4.671 4.340 -0.000 0.000 0.282 61 R C -0.153 176.192 176.300 0.075 0.000 0.969 61 R CA -0.755 55.438 56.100 0.154 0.000 0.918 61 R CB 0.694 31.077 30.300 0.138 0.000 1.175 61 R HN 0.465 nan 8.270 nan 0.000 0.464 62 N N 1.209 119.942 118.700 0.055 0.000 2.738 62 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 62 N C -0.473 175.054 175.510 0.028 0.000 1.047 62 N CA 0.714 53.789 53.050 0.041 0.000 0.707 62 N CB -1.131 37.383 38.487 0.047 0.000 0.937 62 N HN 0.511 nan 8.380 nan 0.000 0.545 63 L N -0.074 121.157 121.223 0.014 0.000 2.464 63 L HA 0.210 4.550 4.340 -0.000 0.000 0.264 63 L C 1.003 177.905 176.870 0.054 0.000 1.199 63 L CA 0.088 54.932 54.840 0.007 0.000 0.818 63 L CB 0.615 42.664 42.059 -0.016 0.000 1.102 63 L HN 0.034 nan 8.230 nan 0.000 0.473 64 S N 2.298 118.022 115.700 0.039 0.000 2.475 64 S HA 0.586 5.056 4.470 -0.000 0.000 0.298 64 S C -0.339 174.360 174.600 0.164 0.000 1.119 64 S CA -0.567 57.738 58.200 0.174 0.000 1.085 64 S CB 1.451 64.596 63.200 -0.092 0.000 1.028 64 S HN 0.230 nan 8.310 nan 0.000 0.489 65 I N 3.430 124.162 120.570 0.270 0.000 2.404 65 I HA 0.475 4.645 4.170 -0.000 0.000 0.293 65 I C -0.386 175.825 176.117 0.157 0.000 0.992 65 I CA -0.608 60.757 61.300 0.108 0.000 1.149 65 I CB 1.276 39.277 38.000 0.002 0.000 1.315 65 I HN 0.552 nan 8.210 nan 0.000 0.446 66 I N 4.132 124.744 120.570 0.070 0.000 2.389 66 I HA 0.276 4.446 4.170 -0.000 0.000 0.288 66 I C 0.044 176.142 176.117 -0.032 0.000 0.999 66 I CA -0.346 60.977 61.300 0.040 0.000 1.129 66 I CB 1.978 40.019 38.000 0.069 0.000 1.288 66 I HN 0.480 nan 8.210 nan 0.000 0.444 67 S N 7.467 123.120 115.700 -0.079 0.000 2.664 67 S HA 0.419 4.888 4.470 -0.000 0.000 0.262 67 S C -1.951 172.618 174.600 -0.052 0.000 1.229 67 S CA -1.472 56.681 58.200 -0.078 0.000 1.151 67 S CB 1.055 64.168 63.200 -0.146 0.000 1.054 67 S HN 0.291 nan 8.310 nan 0.000 0.483 68 P HA -0.059 nan 4.420 nan 0.000 0.215 68 P C 0.673 177.992 177.300 0.031 0.000 1.157 68 P CA 1.226 64.332 63.100 0.010 0.000 0.874 68 P CB 0.221 31.937 31.700 0.026 0.000 0.790 69 T N -2.955 111.625 114.554 0.044 0.000 2.742 69 T HA 0.642 4.991 4.350 -0.000 0.000 0.282 69 T C -0.537 174.201 174.700 0.063 0.000 1.025 69 T CA -0.774 61.373 62.100 0.079 0.000 1.020 69 T CB 0.876 69.802 68.868 0.098 0.000 1.317 69 T HN -0.116 nan 8.240 nan 0.000 0.538 70 G N 1.679 110.538 108.800 0.098 0.000 2.355 70 G HA2 0.542 4.502 3.960 -0.000 0.000 0.276 70 G HA3 0.542 4.502 3.960 -0.000 0.000 0.276 70 G C -0.897 174.038 174.900 0.058 0.000 1.198 70 G CA -0.271 44.903 45.100 0.123 0.000 0.876 70 G HN 0.534 nan 8.290 nan 0.000 0.478 71 L N 1.966 123.221 121.223 0.053 0.000 2.379 71 L HA 0.818 5.158 4.340 -0.000 0.000 0.269 71 L C 0.990 177.921 176.870 0.102 0.000 1.084 71 L CA 1.143 56.017 54.840 0.056 0.000 0.802 71 L CB 1.373 43.473 42.059 0.068 0.000 1.175 71 L HN 1.059 nan 8.230 nan 0.000 0.448 72 G N 1.475 110.353 108.800 0.130 0.000 2.352 72 G HA2 0.001 3.961 3.960 -0.000 0.000 0.324 72 G HA3 0.001 3.961 3.960 -0.000 0.000 0.324 72 G C -0.923 174.149 174.900 0.287 0.000 1.249 72 G CA -0.039 45.227 45.100 0.277 0.000 1.053 72 G HN 0.752 nan 8.290 nan 0.000 0.492 73 D N -0.925 119.645 120.400 0.283 0.000 2.650 73 D HA 0.271 4.911 4.640 -0.000 0.000 0.265 73 D C 0.906 177.289 176.300 0.137 0.000 1.339 73 D CA -0.286 53.851 54.000 0.227 0.000 0.816 73 D CB -0.102 40.841 40.800 0.238 0.000 1.091 73 D HN 0.882 nan 8.370 nan 0.000 0.483 74 R N -0.775 119.803 120.500 0.130 0.000 3.641 74 R HA -0.151 4.189 4.340 -0.000 0.000 0.286 74 R C 0.243 176.590 176.300 0.078 0.000 1.153 74 R CA 0.895 57.060 56.100 0.107 0.000 0.775 74 R CB -1.906 28.457 30.300 0.105 0.000 1.215 74 R HN 0.504 nan 8.270 nan 0.000 0.474 75 A N -0.782 122.081 122.820 0.072 0.000 2.588 75 A HA 0.272 4.592 4.320 -0.000 0.000 0.172 75 A C -0.247 177.359 177.584 0.037 0.000 1.149 75 A CA -0.253 51.811 52.037 0.046 0.000 1.987 75 A CB 0.277 19.298 19.000 0.034 0.000 2.500 75 A HN 0.074 nan 8.150 nan 0.000 0.982 76 D N 0.561 120.971 120.400 0.017 0.000 2.369 76 D HA 0.214 4.854 4.640 -0.000 0.000 0.211 76 D C 0.855 177.152 176.300 -0.005 0.000 1.077 76 D CA 0.172 54.176 54.000 0.006 0.000 0.842 76 D CB 0.423 41.220 40.800 -0.005 0.000 0.947 76 D HN 0.294 nan 8.370 nan 0.000 0.509 77 R N -0.036 120.460 120.500 -0.007 0.000 2.596 77 R HA 0.517 4.857 4.340 -0.000 0.000 0.216 77 R C 1.198 177.555 176.300 0.094 0.000 1.348 77 R CA -0.164 55.924 56.100 -0.021 0.000 1.009 77 R CB -0.148 30.017 30.300 -0.224 0.000 1.947 77 R HN 0.010 nan 8.270 nan 0.000 0.526 78 G N 1.160 110.083 108.800 0.205 0.000 2.583 78 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.292 78 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.292 78 G C 0.627 175.598 174.900 0.118 0.000 1.203 78 G CA 0.578 45.794 45.100 0.193 0.000 0.987 78 G HN 0.728 nan 8.290 nan 0.000 0.554 79 I N -1.834 118.782 120.570 0.075 0.000 3.861 79 I HA 0.431 4.601 4.170 -0.000 0.000 0.329 79 I C 2.067 178.201 176.117 0.029 0.000 1.321 79 I CA 1.083 62.412 61.300 0.048 0.000 1.126 79 I CB 0.461 38.469 38.000 0.013 0.000 1.018 79 I HN 0.240 nan 8.210 nan 0.000 0.407 80 S N 2.621 118.343 115.700 0.038 0.000 2.374 80 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 80 S C -0.384 174.231 174.600 0.025 0.000 1.037 80 S CA 1.887 60.105 58.200 0.030 0.000 1.024 80 S CB -1.232 61.989 63.200 0.034 0.000 0.861 80 S HN 0.441 nan 8.310 nan 0.000 0.456 81 P HA -0.058 nan 4.420 nan 0.000 0.220 81 P C 0.801 178.119 177.300 0.029 0.000 1.144 81 P CA 0.921 64.042 63.100 0.034 0.000 0.800 81 P CB -0.149 31.576 31.700 0.042 0.000 0.772 82 L N -2.110 119.124 121.223 0.018 0.000 2.591 82 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 82 L C 1.668 178.507 176.870 -0.053 0.000 1.133 82 L CA 0.117 54.948 54.840 -0.015 0.000 0.880 82 L CB -0.526 41.531 42.059 -0.003 0.000 1.033 82 L HN -0.085 nan 8.230 nan 0.000 0.450 83 A N -0.316 122.489 122.820 -0.024 0.000 2.359 83 A HA 0.107 4.427 4.320 -0.000 0.000 0.240 83 A C 0.648 178.216 177.584 -0.026 0.000 1.306 83 A CA -0.247 51.778 52.037 -0.021 0.000 0.898 83 A CB -0.425 18.580 19.000 0.008 0.000 0.956 83 A HN 0.376 nan 8.150 nan 0.000 0.497 84 Q N 1.115 120.879 119.800 -0.060 0.000 2.313 84 Q HA 0.155 4.495 4.340 -0.000 0.000 0.266 84 Q C -0.528 175.422 176.000 -0.082 0.000 0.989 84 Q CA 0.000 55.788 55.803 -0.026 0.000 0.890 84 Q CB 0.735 29.503 28.738 0.049 0.000 1.200 84 Q HN 0.512 nan 8.270 nan 0.000 0.396 85 E N 0.721 120.942 120.200 0.035 0.000 2.417 85 E HA 0.058 4.408 4.350 -0.000 0.000 0.261 85 E C 0.703 177.355 176.600 0.087 0.000 1.000 85 E CA 0.729 57.155 56.400 0.042 0.000 0.919 85 E CB 0.377 30.117 29.700 0.066 0.000 0.955 85 E HN 0.950 nan 8.360 nan 0.000 0.455 86 G N 2.531 111.348 108.800 0.028 0.000 2.254 86 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.225 86 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.225 86 G C 0.621 175.476 174.900 -0.075 0.000 1.003 86 G CA 0.236 45.392 45.100 0.093 0.000 0.622 86 G HN 0.493 nan 8.290 nan 0.000 0.507 87 L N 1.060 121.984 121.223 -0.499 0.000 2.049 87 L HA 0.503 4.843 4.340 -0.000 0.000 0.203 87 L C 1.226 177.970 176.870 -0.209 0.000 1.074 87 L CA 1.585 56.055 54.840 -0.617 0.000 0.749 87 L CB -0.079 41.411 42.059 -0.949 0.000 0.907 87 L HN 0.239 nan 8.230 nan 0.000 0.439 88 V N 0.837 120.669 119.914 -0.136 0.000 2.459 88 V HA 0.250 4.370 4.120 -0.000 0.000 0.295 88 V C 0.799 176.915 176.094 0.037 0.000 1.029 88 V CA -0.390 61.897 62.300 -0.022 0.000 0.874 88 V CB 1.397 33.214 31.823 -0.012 0.000 0.985 88 V HN 0.380 nan 8.190 nan 0.000 0.438 89 K N 3.311 123.773 120.400 0.104 0.000 2.399 89 K HA 0.143 4.463 4.320 -0.000 0.000 0.196 89 K C -0.213 176.543 176.600 0.260 0.000 1.103 89 K CA -0.111 56.264 56.287 0.146 0.000 0.986 89 K CB 0.981 33.558 32.500 0.129 0.000 0.952 89 K HN 0.613 nan 8.250 nan 0.000 0.541 90 W N 0.186 121.514 121.300 0.047 0.000 3.573 90 W HA 0.513 5.173 4.660 -0.000 0.000 0.306 90 W C -2.255 174.322 176.519 0.097 0.000 1.227 90 W CA -0.309 57.091 57.345 0.091 0.000 1.212 90 W CB 1.827 31.340 29.460 0.089 0.000 1.331 90 W HN 0.006 nan 8.180 nan 0.000 0.524 91 A N 4.943 127.696 122.820 -0.110 0.000 2.488 91 A HA 0.753 5.073 4.320 -0.000 0.000 0.298 91 A C -2.598 174.757 177.584 -0.382 0.000 1.044 91 A CA -0.687 51.273 52.037 -0.127 0.000 0.693 91 A CB 1.717 20.680 19.000 -0.061 0.000 1.272 91 A HN 1.008 nan 8.150 nan 0.000 0.402 92 L N 2.269 123.297 121.223 -0.326 0.000 2.372 92 L HA 0.786 5.126 4.340 -0.000 0.000 0.273 92 L C -1.175 175.605 176.870 -0.149 0.000 0.989 92 L CA -0.197 54.514 54.840 -0.216 0.000 0.841 92 L CB 0.951 42.801 42.059 -0.349 0.000 1.225 92 L HN 0.731 nan 8.230 nan 0.000 0.414 93 C N 2.522 121.765 119.300 -0.096 0.000 2.712 93 C HA 0.680 5.140 4.460 -0.000 0.000 0.308 93 C C 1.457 176.471 174.990 0.041 0.000 1.201 93 C CA -0.278 58.583 59.018 -0.263 0.000 1.554 93 C CB 1.600 28.764 27.740 -0.960 0.000 2.117 93 C HN 0.969 nan 8.230 nan 0.000 0.480 94 G N -0.506 108.327 108.800 0.054 0.000 2.623 94 G HA2 0.080 4.040 3.960 -0.000 0.000 0.214 94 G HA3 0.080 4.040 3.960 -0.000 0.000 0.214 94 G C 0.416 175.498 174.900 0.304 0.000 1.138 94 G CA 0.727 45.934 45.100 0.179 0.000 0.794 94 G HN 0.818 nan 8.290 nan 0.000 0.535 95 H N -2.558 116.576 119.070 0.106 0.000 2.974 95 H HA 0.236 4.792 4.556 -0.000 0.000 0.366 95 H C -0.894 174.468 175.328 0.057 0.000 1.155 95 H CA -0.802 55.353 56.048 0.180 0.000 1.186 95 H CB 1.559 31.409 29.762 0.145 0.000 1.799 95 H HN 0.049 nan 8.280 nan 0.000 0.541 96 W N 1.788 122.840 121.300 -0.412 0.000 2.904 96 W HA 0.248 4.908 4.660 -0.000 0.000 0.265 96 W C 2.125 178.533 176.519 -0.185 0.000 1.138 96 W CA 0.762 57.985 57.345 -0.203 0.000 1.455 96 W CB 0.424 29.786 29.460 -0.163 0.000 0.924 96 W HN 0.779 nan 8.180 nan 0.000 0.619 97 G N -0.264 108.444 108.800 -0.153 0.000 2.572 97 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 97 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 97 G C 1.283 176.294 174.900 0.185 0.000 1.133 97 G CA 0.704 45.826 45.100 0.037 0.000 0.791 97 G HN 0.162 nan 8.290 nan 0.000 0.538 98 Q N 0.342 120.329 119.800 0.312 0.000 2.311 98 Q HA 0.135 4.475 4.340 -0.000 0.000 0.203 98 Q C 0.802 176.893 176.000 0.151 0.000 0.954 98 Q CA 0.520 56.474 55.803 0.252 0.000 0.885 98 Q CB 0.151 29.041 28.738 0.254 0.000 0.963 98 Q HN 0.253 nan 8.270 nan 0.000 0.471 99 S N 1.441 117.208 115.700 0.111 0.000 2.269 99 S HA 0.245 4.715 4.470 -0.000 0.000 0.194 99 S C -2.186 172.454 174.600 0.066 0.000 1.547 99 S CA -1.127 57.116 58.200 0.071 0.000 1.186 99 S CB 1.227 64.445 63.200 0.030 0.000 1.069 99 S HN 0.262 nan 8.310 nan 0.000 0.473 100 P HA -0.066 nan 4.420 nan 0.000 0.222 100 P C 1.195 178.526 177.300 0.051 0.000 1.147 100 P CA 0.677 63.812 63.100 0.058 0.000 0.790 100 P CB 0.370 32.094 31.700 0.041 0.000 0.780 101 R N -0.423 120.103 120.500 0.044 0.000 2.115 101 R HA 0.012 4.352 4.340 -0.000 0.000 0.230 101 R C 2.398 178.727 176.300 0.048 0.000 1.111 101 R CA 0.944 57.066 56.100 0.037 0.000 0.976 101 R CB -1.177 29.140 30.300 0.028 0.000 0.870 101 R HN 0.189 nan 8.270 nan 0.000 0.445 102 I N 0.151 120.755 120.570 0.056 0.000 2.233 102 I HA -0.202 3.968 4.170 -0.000 0.000 0.243 102 I C 2.065 178.304 176.117 0.202 0.000 1.093 102 I CA 1.713 63.061 61.300 0.080 0.000 1.380 102 I CB -1.245 36.750 38.000 -0.008 0.000 1.067 102 I HN 0.230 nan 8.210 nan 0.000 0.413 103 S N 0.367 116.214 115.700 0.244 0.000 2.419 103 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 103 S C 1.522 176.174 174.600 0.087 0.000 1.016 103 S CA 1.115 59.491 58.200 0.293 0.000 0.974 103 S CB -0.387 62.975 63.200 0.269 0.000 0.786 103 S HN 0.333 nan 8.310 nan 0.000 0.492 104 D N 1.990 122.424 120.400 0.056 0.000 2.117 104 D HA 0.011 4.651 4.640 -0.000 0.000 0.197 104 D C 1.933 178.238 176.300 0.007 0.000 0.987 104 D CA 0.955 54.961 54.000 0.011 0.000 0.829 104 D CB -0.435 40.371 40.800 0.010 0.000 0.961 104 D HN 0.390 nan 8.370 nan 0.000 0.460 105 L N 0.501 121.745 121.223 0.036 0.000 2.083 105 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 105 L C 2.472 179.346 176.870 0.007 0.000 1.083 105 L CA 1.061 55.919 54.840 0.029 0.000 0.752 105 L CB -0.382 41.707 42.059 0.051 0.000 0.899 105 L HN -0.008 nan 8.230 nan 0.000 0.433 106 A N 0.145 122.973 122.820 0.013 0.000 1.873 106 A HA -0.217 4.102 4.320 -0.000 0.000 0.215 106 A C 2.122 179.621 177.584 -0.143 0.000 1.186 106 A CA 1.611 53.587 52.037 -0.102 0.000 0.616 106 A CB -0.457 18.387 19.000 -0.259 0.000 0.823 106 A HN 0.423 nan 8.150 nan 0.000 0.442 107 E N -0.304 119.820 120.200 -0.125 0.000 2.118 107 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 107 E C 1.939 178.485 176.600 -0.090 0.000 0.992 107 E CA 1.526 57.851 56.400 -0.124 0.000 0.804 107 E CB -0.177 29.457 29.700 -0.110 0.000 0.741 107 E HN 0.734 nan 8.360 nan 0.000 0.458 108 Q N 0.070 119.832 119.800 -0.062 0.000 2.444 108 Q HA 0.063 4.403 4.340 -0.000 0.000 0.206 108 Q C -0.181 175.794 176.000 -0.043 0.000 0.948 108 Q CA -0.144 55.633 55.803 -0.044 0.000 0.946 108 Q CB 0.344 29.066 28.738 -0.026 0.000 1.027 108 Q HN 0.193 nan 8.270 nan 0.000 0.513 109 N N 0.348 119.012 118.700 -0.059 0.000 2.754 109 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 109 N C 0.038 175.530 175.510 -0.030 0.000 1.093 109 N CA 0.706 53.722 53.050 -0.056 0.000 0.699 109 N CB -0.340 38.116 38.487 -0.051 0.000 1.016 109 N HN 0.338 nan 8.380 nan 0.000 0.552 110 K N -0.140 120.249 120.400 -0.018 0.000 2.352 110 K HA 0.190 4.510 4.320 -0.000 0.000 0.194 110 K C 1.313 177.924 176.600 0.018 0.000 1.038 110 K CA 0.561 56.851 56.287 0.004 0.000 1.023 110 K CB 0.740 33.246 32.500 0.011 0.000 0.840 110 K HN 0.578 nan 8.250 nan 0.000 0.519 111 I N -2.119 118.457 120.570 0.011 0.000 2.828 111 I HA 0.436 4.605 4.170 -0.000 0.000 0.302 111 I C -0.621 175.484 176.117 -0.020 0.000 1.101 111 I CA -1.436 59.884 61.300 0.033 0.000 1.031 111 I CB 1.532 39.575 38.000 0.072 0.000 1.231 111 I HN -0.312 nan 8.210 nan 0.000 0.427 112 I N 3.748 124.313 120.570 -0.008 0.000 2.529 112 I HA 0.550 4.719 4.170 -0.000 0.000 0.284 112 I C 0.393 176.332 176.117 -0.298 0.000 1.082 112 I CA 0.402 61.613 61.300 -0.149 0.000 1.406 112 I CB 1.220 39.218 38.000 -0.003 0.000 1.405 112 I HN 0.776 nan 8.210 nan 0.000 0.548 113 A N 6.282 128.816 122.820 -0.477 0.000 2.437 113 A HA 0.771 5.091 4.320 -0.000 0.000 0.293 113 A C -1.541 175.717 177.584 -0.543 0.000 1.038 113 A CA -0.392 51.422 52.037 -0.372 0.000 0.708 113 A CB 0.602 19.311 19.000 -0.484 0.000 1.251 113 A HN 0.530 nan 8.150 nan 0.000 0.409 114 Y N 0.500 120.732 120.300 -0.113 0.000 2.545 114 Y HA 0.553 5.103 4.550 -0.000 0.000 0.348 114 Y C 0.249 176.276 175.900 0.211 0.000 1.002 114 Y CA -0.662 57.416 58.100 -0.038 0.000 1.039 114 Y CB 2.542 40.914 38.460 -0.147 0.000 1.271 114 Y HN 0.756 nan 8.280 nan 0.000 0.467 115 N N 1.705 120.665 118.700 0.433 0.000 2.573 115 N HA 0.272 5.012 4.740 -0.000 0.000 0.262 115 N C -1.724 174.066 175.510 0.467 0.000 1.029 115 N CA -0.430 52.931 53.050 0.519 0.000 0.882 115 N CB 0.583 39.378 38.487 0.512 0.000 1.204 115 N HN 0.426 nan 8.380 nan 0.000 0.519 116 Y N 2.254 122.680 120.300 0.211 0.000 2.301 116 Y HA 0.321 4.871 4.550 -0.000 0.000 0.328 116 Y C -1.855 174.086 175.900 0.069 0.000 1.242 116 Y CA -2.395 55.771 58.100 0.111 0.000 1.323 116 Y CB 0.226 38.702 38.460 0.027 0.000 1.266 116 Y HN 0.475 nan 8.280 nan 0.000 0.527 117 P HA -0.039 nan 4.420 nan 0.000 0.265 117 P C 0.673 177.970 177.300 -0.004 0.000 1.193 117 P CA 0.313 63.462 63.100 0.082 0.000 0.765 117 P CB 0.493 32.193 31.700 -0.000 0.000 0.823 118 Q N 3.248 123.040 119.800 -0.013 0.000 2.096 118 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 118 Q C 2.063 177.750 176.000 -0.522 0.000 0.993 118 Q CA 2.550 58.254 55.803 -0.164 0.000 0.862 118 Q CB -0.906 27.784 28.738 -0.081 0.000 0.915 118 Q HN 0.664 nan 8.270 nan 0.000 0.416 119 G N -0.173 108.023 108.800 -1.005 0.000 2.446 119 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 119 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 119 G C 1.430 176.122 174.900 -0.346 0.000 1.168 119 G CA 1.075 45.453 45.100 -1.203 0.000 0.771 119 G HN 0.322 nan 8.290 nan 0.000 0.551 120 V N 0.714 120.519 119.914 -0.181 0.000 2.343 120 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 120 V C 2.690 178.668 176.094 -0.195 0.000 1.051 120 V CA 1.570 63.714 62.300 -0.260 0.000 1.036 120 V CB -0.515 30.868 31.823 -0.734 0.000 0.654 120 V HN 0.334 nan 8.190 nan 0.000 0.451 121 L N 0.236 121.411 121.223 -0.080 0.000 1.990 121 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 121 L C 2.619 179.496 176.870 0.011 0.000 1.072 121 L CA 2.826 57.715 54.840 0.081 0.000 0.755 121 L CB -1.228 40.879 42.059 0.080 0.000 0.889 121 L HN 0.415 nan 8.230 nan 0.000 0.432 122 T N -1.728 112.795 114.554 -0.052 0.000 2.867 122 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 122 T C 1.834 176.527 174.700 -0.012 0.000 1.057 122 T CA 1.596 63.683 62.100 -0.022 0.000 1.136 122 T CB -0.075 68.786 68.868 -0.012 0.000 0.874 122 T HN 0.554 nan 8.240 nan 0.000 0.466 123 Q N 0.222 120.002 119.800 -0.035 0.000 2.124 123 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 123 Q C 2.635 178.631 176.000 -0.008 0.000 0.977 123 Q CA 1.936 57.728 55.803 -0.019 0.000 0.850 123 Q CB -0.289 28.436 28.738 -0.022 0.000 0.901 123 Q HN 0.737 nan 8.270 nan 0.000 0.429 124 T N -1.057 113.495 114.554 -0.003 0.000 2.867 124 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 124 T C 1.840 176.567 174.700 0.046 0.000 1.057 124 T CA 0.598 62.717 62.100 0.031 0.000 1.136 124 T CB -0.253 68.678 68.868 0.106 0.000 0.874 124 T HN 0.131 nan 8.240 nan 0.000 0.466 125 L N 0.279 121.527 121.223 0.041 0.000 2.056 125 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 125 L C 3.232 180.126 176.870 0.039 0.000 1.078 125 L CA 1.368 56.232 54.840 0.040 0.000 0.749 125 L CB -0.488 41.591 42.059 0.034 0.000 0.901 125 L HN 0.213 nan 8.230 nan 0.000 0.433 126 R N 0.189 120.706 120.500 0.028 0.000 2.081 126 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 126 R C 2.342 178.662 176.300 0.033 0.000 1.131 126 R CA 1.381 57.496 56.100 0.025 0.000 0.960 126 R CB -0.221 30.086 30.300 0.013 0.000 0.856 126 R HN 0.343 nan 8.270 nan 0.000 0.436 127 A N 0.608 123.448 122.820 0.033 0.000 1.933 127 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 127 A C 2.314 179.941 177.584 0.070 0.000 1.175 127 A CA 1.691 53.754 52.037 0.043 0.000 0.628 127 A CB -0.719 18.300 19.000 0.031 0.000 0.814 127 A HN 0.527 nan 8.150 nan 0.000 0.444 128 A N -0.208 122.655 122.820 0.072 0.000 1.930 128 A HA 0.203 4.523 4.320 -0.000 0.000 0.217 128 A C 2.469 180.144 177.584 0.152 0.000 1.175 128 A CA 1.854 53.949 52.037 0.096 0.000 0.627 128 A CB -0.934 18.105 19.000 0.066 0.000 0.815 128 A HN 1.056 nan 8.150 nan 0.000 0.443 129 A N -0.105 122.779 122.820 0.106 0.000 1.940 129 A HA 0.126 4.446 4.320 -0.000 0.000 0.219 129 A C 2.269 179.894 177.584 0.068 0.000 1.176 129 A CA 1.974 54.067 52.037 0.095 0.000 0.631 129 A CB -0.787 18.246 19.000 0.056 0.000 0.814 129 A HN 1.136 nan 8.150 nan 0.000 0.446 130 A N -2.336 120.524 122.820 0.067 0.000 2.251 130 A HA 0.241 4.561 4.320 -0.000 0.000 0.209 130 A C 0.669 178.319 177.584 0.110 0.000 1.187 130 A CA 0.606 52.664 52.037 0.035 0.000 0.823 130 A CB -0.873 18.147 19.000 0.032 0.000 0.846 130 A HN 0.731 nan 8.150 nan 0.000 0.486 131 H N -1.133 117.953 119.070 0.027 0.000 2.820 131 H HA -0.163 4.392 4.556 -0.000 0.000 0.295 131 H C -0.274 175.075 175.328 0.034 0.000 1.187 131 H CA 0.367 56.431 56.048 0.027 0.000 1.144 131 H CB -1.401 28.374 29.762 0.022 0.000 1.354 131 H HN 0.738 nan 8.280 nan 0.000 0.395 132 Q N 1.082 120.967 119.800 0.142 0.000 2.293 132 Q HA 0.076 4.416 4.340 -0.000 0.000 0.251 132 Q C -1.286 174.776 176.000 0.102 0.000 0.930 132 Q CA -1.522 54.343 55.803 0.104 0.000 0.893 132 Q CB 1.037 29.822 28.738 0.078 0.000 1.215 132 Q HN 0.229 nan 8.270 nan 0.000 0.425 133 P HA 0.000 nan 4.420 nan 0.000 0.222 133 P C 0.098 177.496 177.300 0.163 0.000 1.153 133 P CA 0.736 63.933 63.100 0.161 0.000 0.798 133 P CB 0.569 32.396 31.700 0.211 0.000 0.796 134 G N -0.145 108.732 108.800 0.127 0.000 2.430 134 G HA2 0.519 4.479 3.960 -0.000 0.000 0.300 134 G HA3 0.519 4.479 3.960 -0.000 0.000 0.300 134 G C -1.857 172.997 174.900 -0.076 0.000 1.330 134 G CA -0.670 44.328 45.100 -0.171 0.000 0.813 134 G HN 0.205 nan 8.290 nan 0.000 0.487 135 I N -2.017 118.449 120.570 -0.173 0.000 2.646 135 I HA 0.828 4.998 4.170 -0.000 0.000 0.299 135 I C -1.019 175.122 176.117 0.040 0.000 1.036 135 I CA -1.467 59.813 61.300 -0.032 0.000 1.074 135 I CB 2.235 40.212 38.000 -0.038 0.000 1.258 135 I HN 0.377 nan 8.210 nan 0.000 0.430 136 I N 4.347 124.941 120.570 0.039 0.000 2.321 136 I HA 0.526 4.696 4.170 -0.000 0.000 0.291 136 I C 0.042 176.155 176.117 -0.008 0.000 0.998 136 I CA -0.108 61.213 61.300 0.036 0.000 1.227 136 I CB 1.539 39.432 38.000 -0.178 0.000 1.368 136 I HN 0.673 nan 8.210 nan 0.000 0.466 137 S N 3.144 118.937 115.700 0.155 0.000 2.533 137 S HA 0.249 4.719 4.470 -0.000 0.000 0.271 137 S C -0.207 174.583 174.600 0.317 0.000 1.143 137 S CA -0.766 57.543 58.200 0.181 0.000 0.891 137 S CB 1.245 64.498 63.200 0.089 0.000 1.105 137 S HN 0.745 nan 8.310 nan 0.000 0.468 138 D N 2.750 123.339 120.400 0.315 0.000 2.340 138 D HA 0.079 4.719 4.640 -0.000 0.000 0.220 138 D C 0.544 176.869 176.300 0.041 0.000 1.039 138 D CA -0.015 54.077 54.000 0.152 0.000 0.866 138 D CB -0.149 40.678 40.800 0.045 0.000 0.913 138 D HN 0.402 nan 8.370 nan 0.000 0.523 139 I N 1.314 121.883 120.570 -0.003 0.000 2.581 139 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 139 I C 1.761 177.901 176.117 0.037 0.000 1.129 139 I CA 0.948 62.205 61.300 -0.073 0.000 1.397 139 I CB -0.025 37.770 38.000 -0.342 0.000 1.399 139 I HN 0.425 nan 8.210 nan 0.000 0.537 140 G N 6.530 115.345 108.800 0.024 0.000 2.201 140 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.212 140 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.212 140 G C 0.402 175.279 174.900 -0.039 0.000 0.994 140 G CA -0.679 44.430 45.100 0.014 0.000 0.644 140 G HN 0.429 nan 8.290 nan 0.000 0.508 141 I N 1.894 122.440 120.570 -0.040 0.000 2.826 141 I HA 0.292 4.461 4.170 -0.000 0.000 0.295 141 I C 1.872 177.945 176.117 -0.073 0.000 1.213 141 I CA 2.419 63.678 61.300 -0.068 0.000 1.436 141 I CB -0.170 37.782 38.000 -0.080 0.000 1.348 141 I HN 1.352 nan 8.210 nan 0.000 0.570 142 G N 4.299 113.054 108.800 -0.076 0.000 2.159 142 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.256 142 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.256 142 G C 0.339 175.213 174.900 -0.043 0.000 0.977 142 G CA 0.543 45.599 45.100 -0.074 0.000 0.652 142 G HN 0.916 nan 8.290 nan 0.000 0.531 143 T N -2.643 111.895 114.554 -0.026 0.000 2.841 143 T HA 0.640 4.990 4.350 -0.000 0.000 0.276 143 T C 1.327 176.038 174.700 0.018 0.000 1.003 143 T CA 0.029 62.154 62.100 0.042 0.000 0.995 143 T CB 1.075 69.984 68.868 0.068 0.000 1.260 143 T HN 1.116 nan 8.240 nan 0.000 0.581 144 F N 0.838 120.759 119.950 -0.048 0.000 2.307 144 F HA 0.013 4.540 4.527 -0.000 0.000 0.301 144 F C 1.881 177.652 175.800 -0.048 0.000 1.076 144 F CA 0.930 58.891 58.000 -0.065 0.000 1.383 144 F CB -1.096 37.818 39.000 -0.144 0.000 1.055 144 F HN 0.331 nan 8.300 nan 0.000 0.526 145 V N -1.780 117.635 119.914 -0.832 0.000 2.871 145 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 145 V C 0.936 176.858 176.094 -0.287 0.000 1.082 145 V CA 0.916 62.859 62.300 -0.596 0.000 1.105 145 V CB -0.896 30.629 31.823 -0.497 0.000 0.713 145 V HN 0.322 nan 8.190 nan 0.000 0.473 146 D N 2.596 122.871 120.400 -0.209 0.000 2.487 146 D HA 0.064 4.704 4.640 -0.000 0.000 0.243 146 D C -1.277 174.964 176.300 -0.099 0.000 1.154 146 D CA -1.269 52.645 54.000 -0.144 0.000 0.876 146 D CB 1.849 42.591 40.800 -0.096 0.000 1.161 146 D HN 0.255 nan 8.370 nan 0.000 0.478 147 P HA -0.095 nan 4.420 nan 0.000 0.225 147 P C 0.892 178.177 177.300 -0.025 0.000 1.148 147 P CA 0.744 63.817 63.100 -0.044 0.000 0.779 147 P CB 0.267 31.940 31.700 -0.044 0.000 0.780 148 R N -0.837 119.642 120.500 -0.035 0.000 2.276 148 R HA 0.026 4.365 4.340 -0.000 0.000 0.203 148 R C 2.049 178.341 176.300 -0.013 0.000 1.017 148 R CA 0.822 56.906 56.100 -0.026 0.000 1.010 148 R CB -0.062 30.215 30.300 -0.037 0.000 0.900 148 R HN 0.410 nan 8.270 nan 0.000 0.469 149 Q N -0.779 119.019 119.800 -0.005 0.000 2.729 149 Q HA 0.095 4.435 4.340 -0.000 0.000 0.228 149 Q C 1.055 177.083 176.000 0.047 0.000 1.021 149 Q CA -0.114 55.705 55.803 0.026 0.000 0.561 149 Q CB 0.250 29.017 28.738 0.048 0.000 3.921 149 Q HN -0.063 nan 8.270 nan 0.000 0.430 150 Q N -0.393 119.459 119.800 0.086 0.000 2.319 150 Q HA 0.231 4.571 4.340 -0.000 0.000 0.209 150 Q C 0.273 176.325 176.000 0.087 0.000 0.884 150 Q CA 0.610 56.479 55.803 0.109 0.000 0.938 150 Q CB 1.041 29.903 28.738 0.206 0.000 1.098 150 Q HN 0.749 nan 8.270 nan 0.000 0.517 151 G N 0.328 109.144 108.800 0.027 0.000 2.258 151 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.274 151 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.274 151 G C 0.851 175.801 174.900 0.083 0.000 1.021 151 G CA 0.469 45.577 45.100 0.014 0.000 0.798 151 G HN 0.871 nan 8.290 nan 0.000 0.507 152 G N -1.508 107.310 108.800 0.030 0.000 2.162 152 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 152 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 152 G C 0.402 175.479 174.900 0.296 0.000 0.976 152 G CA 1.109 46.285 45.100 0.127 0.000 0.655 152 G HN 1.102 nan 8.290 nan 0.000 0.533 153 K N -0.105 120.405 120.400 0.183 0.000 2.322 153 K HA 0.568 4.888 4.320 -0.000 0.000 0.283 153 K C 1.182 177.743 176.600 -0.066 0.000 1.042 153 K CA -0.448 55.807 56.287 -0.053 0.000 0.958 153 K CB 1.218 33.669 32.500 -0.083 0.000 0.984 153 K HN 0.161 nan 8.250 nan 0.000 0.473 154 L N 1.722 122.801 121.223 -0.241 0.000 2.556 154 L HA 0.012 4.352 4.340 -0.000 0.000 0.226 154 L C 0.288 176.998 176.870 -0.267 0.000 1.089 154 L CA 0.099 54.766 54.840 -0.289 0.000 0.864 154 L CB -0.163 41.564 42.059 -0.552 0.000 1.067 154 L HN 0.759 nan 8.230 nan 0.000 0.477 155 N N -2.906 115.647 118.700 -0.244 0.000 3.157 155 N HA 0.038 4.778 4.740 -0.000 0.000 0.291 155 N C 0.422 175.849 175.510 -0.139 0.000 1.515 155 N CA -0.694 52.244 53.050 -0.186 0.000 0.807 155 N CB 0.421 38.792 38.487 -0.193 0.000 1.672 155 N HN -0.228 nan 8.380 nan 0.000 0.592 156 E N -0.215 119.924 120.200 -0.103 0.000 2.072 156 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 156 E C 1.198 177.758 176.600 -0.066 0.000 0.985 156 E CA 0.962 57.319 56.400 -0.071 0.000 0.801 156 E CB -0.065 29.603 29.700 -0.054 0.000 0.750 156 E HN 0.380 nan 8.360 nan 0.000 0.452 157 V N 1.402 121.272 119.914 -0.073 0.000 2.759 157 V HA -0.099 4.021 4.120 -0.000 0.000 0.256 157 V C 0.589 176.646 176.094 -0.063 0.000 1.080 157 V CA 1.494 63.763 62.300 -0.052 0.000 1.101 157 V CB -0.392 31.406 31.823 -0.042 0.000 0.698 157 V HN 0.144 nan 8.190 nan 0.000 0.477 158 T N 1.944 116.419 114.554 -0.131 0.000 2.752 158 T HA 0.196 4.546 4.350 -0.000 0.000 0.295 158 T C 0.784 175.429 174.700 -0.091 0.000 0.923 158 T CA -0.193 61.789 62.100 -0.197 0.000 1.112 158 T CB 0.831 69.430 68.868 -0.448 0.000 0.884 158 T HN 0.338 nan 8.240 nan 0.000 0.525 159 K N 1.989 122.396 120.400 0.011 0.000 2.380 159 K HA 0.140 4.460 4.320 -0.000 0.000 0.200 159 K C 0.806 177.488 176.600 0.137 0.000 1.201 159 K CA 0.008 56.332 56.287 0.063 0.000 0.916 159 K CB 0.289 32.824 32.500 0.058 0.000 1.187 159 K HN 0.591 nan 8.250 nan 0.000 0.498 160 E N 3.081 123.414 120.200 0.221 0.000 2.415 160 E HA -0.043 4.307 4.350 -0.000 0.000 0.263 160 E C -0.824 175.956 176.600 0.300 0.000 0.995 160 E CA -0.035 56.518 56.400 0.255 0.000 0.915 160 E CB 0.478 30.358 29.700 0.301 0.000 0.951 160 E HN -0.007 nan 8.360 nan 0.000 0.449 161 D N 5.179 125.697 120.400 0.196 0.000 2.343 161 D HA 0.048 4.687 4.640 -0.000 0.000 0.255 161 D C 0.728 177.117 176.300 0.149 0.000 1.187 161 D CA 0.220 54.322 54.000 0.170 0.000 0.875 161 D CB 1.154 42.019 40.800 0.109 0.000 1.136 161 D HN 0.502 nan 8.370 nan 0.000 0.469 162 L N 1.909 123.209 121.223 0.130 0.000 2.609 162 L HA 0.275 4.614 4.340 -0.000 0.000 0.230 162 L C 0.637 177.547 176.870 0.068 0.000 1.087 162 L CA 0.257 55.151 54.840 0.089 0.000 0.874 162 L CB 0.349 42.410 42.059 0.003 0.000 1.114 162 L HN 0.211 nan 8.230 nan 0.000 0.488 163 I N 0.263 120.836 120.570 0.006 0.000 2.474 163 I HA 0.307 4.477 4.170 -0.000 0.000 0.294 163 I C -0.337 175.741 176.117 -0.064 0.000 1.005 163 I CA -0.450 60.750 61.300 -0.167 0.000 1.113 163 I CB 2.093 39.865 38.000 -0.379 0.000 1.289 163 I HN -0.098 nan 8.210 nan 0.000 0.436 164 K N 5.520 125.906 120.400 -0.023 0.000 2.422 164 K HA 0.538 4.858 4.320 -0.000 0.000 0.251 164 K C -1.622 174.986 176.600 0.014 0.000 0.933 164 K CA -0.806 55.504 56.287 0.039 0.000 0.798 164 K CB 2.193 34.772 32.500 0.130 0.000 1.238 164 K HN 0.453 nan 8.250 nan 0.000 0.428 165 L N 5.213 126.431 121.223 -0.009 0.000 2.360 165 L HA 0.355 4.695 4.340 -0.000 0.000 0.276 165 L C -0.761 176.115 176.870 0.010 0.000 1.121 165 L CA 0.083 54.919 54.840 -0.007 0.000 0.845 165 L CB 1.156 43.197 42.059 -0.031 0.000 1.143 165 L HN 0.495 nan 8.230 nan 0.000 0.452 166 V N 1.624 121.574 119.914 0.060 0.000 3.141 166 V HA 0.742 4.862 4.120 -0.000 0.000 0.312 166 V C -0.902 175.212 176.094 0.033 0.000 1.157 166 V CA -0.866 61.448 62.300 0.023 0.000 1.041 166 V CB 1.846 33.738 31.823 0.116 0.000 1.071 166 V HN 0.840 nan 8.190 nan 0.000 0.441 167 E N 0.435 120.537 120.200 -0.164 0.000 2.275 167 E HA 0.675 5.025 4.350 -0.000 0.000 0.270 167 E C -2.340 174.046 176.600 -0.356 0.000 0.882 167 E CA -0.598 55.739 56.400 -0.105 0.000 0.758 167 E CB 2.138 31.766 29.700 -0.121 0.000 1.195 167 E HN 0.655 nan 8.360 nan 0.000 0.419 168 F N 2.757 122.837 119.950 0.218 0.000 2.585 168 F HA 0.242 4.769 4.527 -0.000 0.000 0.319 168 F C -0.495 175.415 175.800 0.184 0.000 1.165 168 F CA -0.804 57.293 58.000 0.162 0.000 0.949 168 F CB 1.837 40.894 39.000 0.095 0.000 1.218 168 F HN 0.491 nan 8.300 nan 0.000 0.453 169 D N 2.260 122.807 120.400 0.245 0.000 2.723 169 D HA -0.278 4.361 4.640 -0.000 0.000 0.236 169 D C -0.065 176.304 176.300 0.114 0.000 1.138 169 D CA 1.167 55.265 54.000 0.163 0.000 0.676 169 D CB -1.412 39.495 40.800 0.179 0.000 1.069 169 D HN 0.913 nan 8.370 nan 0.000 0.430 170 N N -1.173 117.571 118.700 0.072 0.000 2.725 170 N HA -0.248 4.491 4.740 -0.000 0.000 0.249 170 N C -0.611 174.905 175.510 0.010 0.000 1.103 170 N CA 1.395 54.461 53.050 0.026 0.000 0.707 170 N CB -0.275 38.220 38.487 0.013 0.000 1.043 170 N HN 0.509 nan 8.380 nan 0.000 0.553 171 K N 0.528 120.947 120.400 0.033 0.000 2.328 171 K HA 0.362 4.682 4.320 -0.000 0.000 0.246 171 K C -0.332 176.147 176.600 -0.202 0.000 0.955 171 K CA -0.731 55.489 56.287 -0.110 0.000 0.817 171 K CB 1.925 34.328 32.500 -0.161 0.000 1.208 171 K HN 0.096 nan 8.250 nan 0.000 0.432 172 E N 1.347 121.356 120.200 -0.318 0.000 2.313 172 E HA 0.214 4.564 4.350 -0.000 0.000 0.276 172 E C -1.064 175.236 176.600 -0.501 0.000 1.031 172 E CA 0.008 56.254 56.400 -0.257 0.000 0.857 172 E CB 0.620 30.210 29.700 -0.183 0.000 1.040 172 E HN 0.311 nan 8.360 nan 0.000 0.408 173 Y N 0.560 120.899 120.300 0.066 0.000 2.615 173 Y HA 0.360 4.909 4.550 -0.000 0.000 0.341 173 Y C -0.315 175.612 175.900 0.045 0.000 1.089 173 Y CA -0.906 57.244 58.100 0.083 0.000 1.049 173 Y CB 1.218 39.781 38.460 0.172 0.000 1.296 173 Y HN 0.281 nan 8.280 nan 0.000 0.470 174 L N 2.012 123.346 121.223 0.185 0.000 2.307 174 L HA 0.340 4.680 4.340 -0.000 0.000 0.282 174 L C -1.202 175.701 176.870 0.054 0.000 1.051 174 L CA -0.895 53.929 54.840 -0.026 0.000 0.804 174 L CB 1.106 42.986 42.059 -0.298 0.000 1.197 174 L HN 0.614 nan 8.230 nan 0.000 0.431 175 Y N 3.219 123.448 120.300 -0.118 0.000 2.342 175 Y HA 0.368 4.918 4.550 0.000 0.000 0.338 175 Y C -1.156 174.646 175.900 -0.163 0.000 0.965 175 Y CA -0.629 57.449 58.100 -0.035 0.000 1.159 175 Y CB 0.560 39.041 38.460 0.036 0.000 1.157 175 Y HN 0.302 nan 8.280 nan 0.000 0.486 176 Y N 5.713 125.646 120.300 -0.612 0.000 2.335 176 Y HA 0.284 4.834 4.550 -0.000 0.000 0.339 176 Y C 0.297 175.796 175.900 -0.669 0.000 0.987 176 Y CA -0.867 56.862 58.100 -0.619 0.000 1.140 176 Y CB 1.078 39.130 38.460 -0.680 0.000 1.173 176 Y HN 0.487 nan 8.280 nan 0.000 0.486 177 K N 2.706 122.966 120.400 -0.233 0.000 2.412 177 K HA 0.435 4.755 4.320 -0.000 0.000 0.281 177 K C -0.361 176.282 176.600 0.072 0.000 1.027 177 K CA -0.235 55.992 56.287 -0.100 0.000 0.989 177 K CB 0.400 32.951 32.500 0.085 0.000 0.935 177 K HN 0.805 nan 8.250 nan 0.000 0.475 178 A N 5.999 128.834 122.820 0.025 0.000 2.309 178 A HA 0.374 4.694 4.320 -0.000 0.000 0.290 178 A C -0.325 177.293 177.584 0.056 0.000 1.206 178 A CA -0.595 51.481 52.037 0.066 0.000 0.850 178 A CB 0.014 19.039 19.000 0.042 0.000 1.118 178 A HN 0.761 nan 8.150 nan 0.000 0.523 179 I N 2.383 122.987 120.570 0.056 0.000 2.378 179 I HA 0.477 4.647 4.170 -0.000 0.000 0.291 179 I C 0.573 176.691 176.117 0.002 0.000 0.992 179 I CA -0.291 61.015 61.300 0.010 0.000 1.154 179 I CB 1.927 39.932 38.000 0.009 0.000 1.315 179 I HN 0.679 nan 8.210 nan 0.000 0.448 180 A N 8.340 131.147 122.820 -0.022 0.000 2.290 180 A HA 0.778 5.098 4.320 -0.000 0.000 0.310 180 A C -2.504 175.059 177.584 -0.035 0.000 1.202 180 A CA -1.424 50.607 52.037 -0.011 0.000 0.837 180 A CB 0.125 19.122 19.000 -0.005 0.000 1.139 180 A HN 0.384 nan 8.150 nan 0.000 0.509 181 P HA 0.312 nan 4.420 nan 0.000 0.276 181 P C -0.287 176.991 177.300 -0.036 0.000 1.261 181 P CA -0.274 62.802 63.100 -0.039 0.000 0.800 181 P CB 0.916 32.600 31.700 -0.026 0.000 1.066 182 D N -0.618 119.752 120.400 -0.050 0.000 2.380 182 D HA 0.152 4.792 4.640 -0.000 0.000 0.212 182 D C 0.415 176.700 176.300 -0.024 0.000 1.021 182 D CA 1.094 55.071 54.000 -0.038 0.000 0.884 182 D CB 0.477 41.249 40.800 -0.047 0.000 1.001 182 D HN 0.199 nan 8.370 nan 0.000 0.506 183 I N 0.644 121.185 120.570 -0.047 0.000 2.686 183 I HA 0.510 4.680 4.170 -0.000 0.000 0.295 183 I C -0.663 175.412 176.117 -0.070 0.000 1.114 183 I CA -1.040 60.232 61.300 -0.046 0.000 1.038 183 I CB 1.968 39.913 38.000 -0.093 0.000 1.238 183 I HN -0.270 nan 8.210 nan 0.000 0.420 184 A N 5.416 128.241 122.820 0.009 0.000 2.355 184 A HA 0.805 5.125 4.320 -0.000 0.000 0.317 184 A C -1.385 176.341 177.584 0.236 0.000 1.094 184 A CA -0.373 51.693 52.037 0.049 0.000 0.764 184 A CB 1.002 20.050 19.000 0.081 0.000 1.230 184 A HN 0.395 nan 8.150 nan 0.000 0.448 185 F N 3.376 123.348 119.950 0.037 0.000 2.303 185 F HA 0.440 4.967 4.527 -0.000 0.000 0.368 185 F C 0.517 176.341 175.800 0.040 0.000 1.105 185 F CA -1.325 56.697 58.000 0.036 0.000 1.153 185 F CB 0.339 39.361 39.000 0.037 0.000 1.362 185 F HN 0.575 nan 8.300 nan 0.000 0.511 186 I N 0.633 121.330 120.570 0.211 0.000 3.573 186 I HA 0.823 4.993 4.170 -0.000 0.000 0.285 186 I C -0.631 175.535 176.117 0.081 0.000 1.203 186 I CA -1.265 60.121 61.300 0.144 0.000 1.033 186 I CB 2.487 40.569 38.000 0.137 0.000 1.348 186 I HN 0.427 nan 8.210 nan 0.000 0.525 187 R N 1.043 121.581 120.500 0.064 0.000 2.634 187 R HA 0.796 5.136 4.340 -0.000 0.000 0.263 187 R C -2.128 174.041 176.300 -0.218 0.000 1.060 187 R CA -0.337 55.738 56.100 -0.041 0.000 0.898 187 R CB 2.135 32.427 30.300 -0.014 0.000 1.253 187 R HN 1.101 nan 8.270 nan 0.000 0.461 188 A N 1.094 123.667 122.820 -0.412 0.000 2.583 188 A HA 0.503 4.823 4.320 -0.000 0.000 0.289 188 A C 0.121 177.409 177.584 -0.494 0.000 1.151 188 A CA -0.495 50.990 52.037 -0.919 0.000 0.695 188 A CB 1.507 19.966 19.000 -0.903 0.000 1.290 188 A HN 0.697 nan 8.150 nan 0.000 0.419 189 T N 0.511 114.793 114.554 -0.453 0.000 2.732 189 T HA 0.154 4.504 4.350 -0.000 0.000 0.261 189 T C 0.493 175.106 174.700 -0.145 0.000 1.040 189 T CA 2.077 64.056 62.100 -0.202 0.000 1.145 189 T CB -0.140 68.661 68.868 -0.111 0.000 0.866 189 T HN 0.751 nan 8.240 nan 0.000 0.427 190 T N 1.193 115.662 114.554 -0.142 0.000 2.912 190 T HA 0.580 4.930 4.350 -0.000 0.000 0.299 190 T C -0.660 174.002 174.700 -0.062 0.000 1.052 190 T CA -0.949 61.108 62.100 -0.072 0.000 0.996 190 T CB 1.680 70.531 68.868 -0.030 0.000 1.070 190 T HN 0.566 nan 8.240 nan 0.000 0.465 191 C N 1.473 120.753 119.300 -0.033 0.000 3.080 191 C HA 0.951 5.411 4.460 -0.000 0.000 0.307 191 C C -0.246 174.760 174.990 0.027 0.000 1.311 191 C CA -1.083 57.937 59.018 0.004 0.000 1.533 191 C CB 1.298 29.030 27.740 -0.013 0.000 1.970 191 C HN 0.945 nan 8.230 nan 0.000 0.467 192 D N 0.807 121.247 120.400 0.068 0.000 2.478 192 D HA 0.278 4.918 4.640 -0.000 0.000 0.269 192 D C 1.257 177.595 176.300 0.063 0.000 1.232 192 D CA 0.194 54.230 54.000 0.061 0.000 1.059 192 D CB 0.547 41.382 40.800 0.059 0.000 1.104 192 D HN 0.830 nan 8.370 nan 0.000 0.566 193 S N -1.403 114.328 115.700 0.052 0.000 2.507 193 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 193 S C 0.976 175.616 174.600 0.067 0.000 0.988 193 S CA 0.621 58.848 58.200 0.045 0.000 0.944 193 S CB -0.561 62.657 63.200 0.031 0.000 0.762 193 S HN 0.606 nan 8.310 nan 0.000 0.526 194 E N 0.517 120.792 120.200 0.124 0.000 2.476 194 E HA 0.328 4.678 4.350 -0.000 0.000 0.196 194 E C 1.089 177.757 176.600 0.113 0.000 1.029 194 E CA 0.141 56.640 56.400 0.165 0.000 0.896 194 E CB 0.237 30.107 29.700 0.283 0.000 1.012 194 E HN 0.660 nan 8.360 nan 0.000 0.475 195 G N 1.161 110.005 108.800 0.074 0.000 2.175 195 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 195 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 195 G C -0.157 174.684 174.900 -0.099 0.000 0.982 195 G CA -0.341 44.736 45.100 -0.038 0.000 0.641 195 G HN 0.293 nan 8.290 nan 0.000 0.527 196 Y N 1.369 121.636 120.300 -0.055 0.000 2.569 196 Y HA 0.406 4.956 4.550 -0.000 0.000 0.332 196 Y C 0.928 176.812 175.900 -0.027 0.000 1.120 196 Y CA 0.694 58.760 58.100 -0.057 0.000 1.416 196 Y CB 0.868 39.302 38.460 -0.045 0.000 1.210 196 Y HN 0.509 nan 8.280 nan 0.000 0.528 197 A N 2.978 125.848 122.820 0.084 0.000 2.331 197 A HA 0.720 5.040 4.320 -0.000 0.000 0.320 197 A C -0.172 177.509 177.584 0.161 0.000 1.138 197 A CA -0.592 51.485 52.037 0.068 0.000 0.790 197 A CB 0.684 19.699 19.000 0.024 0.000 1.206 197 A HN 0.671 nan 8.150 nan 0.000 0.470 198 T N -1.689 112.925 114.554 0.099 0.000 2.932 198 T HA 0.699 5.049 4.350 -0.000 0.000 0.289 198 T C -0.475 174.299 174.700 0.123 0.000 1.039 198 T CA -0.374 61.850 62.100 0.207 0.000 1.024 198 T CB 0.935 69.882 68.868 0.132 0.000 1.090 198 T HN 0.345 nan 8.240 nan 0.000 0.496 199 F N 0.899 120.901 119.950 0.086 0.000 2.850 199 F HA 0.221 4.748 4.527 -0.000 0.000 0.329 199 F C 2.133 177.989 175.800 0.094 0.000 1.182 199 F CA -0.814 57.259 58.000 0.122 0.000 1.270 199 F CB 0.637 39.799 39.000 0.269 0.000 0.979 199 F HN 0.749 nan 8.300 nan 0.000 0.506 200 E N -0.144 120.156 120.200 0.166 0.000 2.160 200 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 200 E C 0.361 176.995 176.600 0.057 0.000 0.991 200 E CA 1.715 58.173 56.400 0.097 0.000 0.810 200 E CB -0.118 29.611 29.700 0.048 0.000 0.742 200 E HN 0.343 nan 8.360 nan 0.000 0.466 201 D N 0.641 121.065 120.400 0.040 0.000 2.398 201 D HA 0.080 4.720 4.640 -0.000 0.000 0.210 201 D C -0.113 176.201 176.300 0.022 0.000 1.094 201 D CA -0.009 54.004 54.000 0.021 0.000 0.839 201 D CB 0.320 41.124 40.800 0.007 0.000 0.963 201 D HN 0.089 nan 8.370 nan 0.000 0.506 202 E N 0.632 120.861 120.200 0.049 0.000 2.390 202 E HA 0.057 4.407 4.350 -0.000 0.000 0.261 202 E C 1.621 178.227 176.600 0.011 0.000 1.076 202 E CA -0.264 56.170 56.400 0.056 0.000 0.905 202 E CB 1.702 31.507 29.700 0.174 0.000 0.984 202 E HN -0.188 nan 8.360 nan 0.000 0.427 203 V N 1.666 121.576 119.914 -0.008 0.000 2.490 203 V HA -0.181 3.938 4.120 -0.000 0.000 0.250 203 V C 1.195 177.218 176.094 -0.118 0.000 1.061 203 V CA 2.060 64.333 62.300 -0.045 0.000 1.064 203 V CB -0.788 31.014 31.823 -0.035 0.000 0.670 203 V HN 0.681 nan 8.190 nan 0.000 0.461 204 M N -3.613 115.903 119.600 -0.139 0.000 3.767 204 M HA 0.382 4.862 4.480 -0.000 0.000 0.327 204 M C -0.271 175.863 176.300 -0.278 0.000 1.529 204 M CA -0.568 54.534 55.300 -0.330 0.000 0.871 204 M CB 1.241 33.719 32.600 -0.204 0.000 2.008 204 M HN -0.173 nan 8.290 nan 0.000 0.485 205 Y N -0.009 120.260 120.300 -0.051 0.000 2.498 205 Y HA 0.529 5.079 4.550 -0.000 0.000 0.259 205 Y C 1.231 177.070 175.900 -0.102 0.000 1.086 205 Y CA -0.316 57.668 58.100 -0.194 0.000 1.287 205 Y CB -0.241 38.006 38.460 -0.356 0.000 1.146 205 Y HN 0.613 nan 8.280 nan 0.000 0.523 206 L N 0.111 121.383 121.223 0.083 0.000 6.593 206 L HA -0.380 3.960 4.340 -0.000 0.000 0.053 206 L C 0.205 177.113 176.870 0.065 0.000 1.816 206 L CA 1.731 56.617 54.840 0.077 0.000 1.701 206 L CB -0.755 41.357 42.059 0.088 0.000 2.696 206 L HN 0.340 nan 8.230 nan 0.000 1.037 207 D N -0.316 120.121 120.400 0.062 0.000 3.008 207 D HA 0.451 5.091 4.640 -0.000 0.000 0.312 207 D C 0.744 177.063 176.300 0.032 0.000 1.361 207 D CA 0.314 54.335 54.000 0.035 0.000 0.858 207 D CB 0.680 41.507 40.800 0.045 0.000 1.098 207 D HN 0.619 nan 8.370 nan 0.000 0.482 208 A N 0.407 123.246 122.820 0.032 0.000 1.877 208 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 208 A C 1.917 179.521 177.584 0.033 0.000 1.186 208 A CA 1.133 53.217 52.037 0.079 0.000 0.620 208 A CB -0.535 18.582 19.000 0.195 0.000 0.822 208 A HN 0.379 nan 8.150 nan 0.000 0.443 209 L N -0.072 121.126 121.223 -0.041 0.000 2.017 209 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 209 L C 2.400 179.255 176.870 -0.024 0.000 1.073 209 L CA 1.963 56.770 54.840 -0.055 0.000 0.745 209 L CB -0.650 41.342 42.059 -0.112 0.000 0.894 209 L HN 0.148 nan 8.230 nan 0.000 0.432 210 V N 0.063 119.967 119.914 -0.016 0.000 2.282 210 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 210 V C 2.539 178.649 176.094 0.025 0.000 1.057 210 V CA 2.422 64.726 62.300 0.005 0.000 1.032 210 V CB -0.506 31.322 31.823 0.008 0.000 0.645 210 V HN 0.462 nan 8.190 nan 0.000 0.447 211 I N 0.103 120.693 120.570 0.033 0.000 2.226 211 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 211 I C 2.633 178.781 176.117 0.052 0.000 1.100 211 I CA 1.498 62.825 61.300 0.045 0.000 1.374 211 I CB -0.593 37.440 38.000 0.055 0.000 1.057 211 I HN 0.304 nan 8.210 nan 0.000 0.413 212 A N 0.111 122.959 122.820 0.046 0.000 1.902 212 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 212 A C 2.263 179.887 177.584 0.066 0.000 1.181 212 A CA 1.474 53.539 52.037 0.046 0.000 0.623 212 A CB -0.564 18.441 19.000 0.009 0.000 0.818 212 A HN 0.460 nan 8.150 nan 0.000 0.443 213 Q N -0.711 119.117 119.800 0.046 0.000 2.079 213 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 213 Q C 2.468 178.535 176.000 0.112 0.000 0.974 213 Q CA 1.289 57.136 55.803 0.074 0.000 0.840 213 Q CB -0.372 28.387 28.738 0.036 0.000 0.898 213 Q HN 0.684 nan 8.270 nan 0.000 0.430 214 A N 0.350 123.220 122.820 0.084 0.000 1.877 214 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 214 A C 2.317 179.955 177.584 0.090 0.000 1.186 214 A CA 1.505 53.594 52.037 0.086 0.000 0.620 214 A CB -0.711 18.326 19.000 0.061 0.000 0.822 214 A HN 0.212 nan 8.150 nan 0.000 0.443 215 V N -0.678 119.285 119.914 0.082 0.000 2.323 215 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 215 V C 2.445 178.591 176.094 0.087 0.000 1.041 215 V CA 2.406 64.746 62.300 0.067 0.000 1.025 215 V CB -1.056 30.801 31.823 0.057 0.000 0.656 215 V HN 0.837 nan 8.190 nan 0.000 0.451 216 H N 1.199 120.291 119.070 0.036 0.000 2.290 216 H HA -0.151 4.405 4.556 -0.000 0.000 0.298 216 H C 1.994 177.353 175.328 0.051 0.000 1.087 216 H CA 2.153 58.225 56.048 0.040 0.000 1.291 216 H CB -0.051 29.736 29.762 0.042 0.000 1.369 216 H HN 0.321 nan 8.280 nan 0.000 0.492 217 N N 0.229 119.001 118.700 0.120 0.000 2.571 217 N HA -0.100 4.640 4.740 -0.000 0.000 0.189 217 N C 0.570 176.197 175.510 0.194 0.000 1.154 217 N CA 0.545 53.649 53.050 0.090 0.000 0.907 217 N CB -0.165 38.361 38.487 0.066 0.000 0.977 217 N HN 0.443 nan 8.380 nan 0.000 0.449 218 N N -0.085 118.673 118.700 0.098 0.000 2.238 218 N HA 0.121 4.861 4.740 -0.000 0.000 0.222 218 N C 0.549 176.056 175.510 -0.006 0.000 1.133 218 N CA 0.222 53.306 53.050 0.057 0.000 0.854 218 N CB 0.039 38.541 38.487 0.025 0.000 1.041 218 N HN 0.113 nan 8.380 nan 0.000 0.510 219 G N -0.689 108.081 108.800 -0.050 0.000 2.225 219 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.267 219 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.267 219 G C 0.492 175.359 174.900 -0.056 0.000 1.024 219 G CA 0.357 45.409 45.100 -0.080 0.000 0.784 219 G HN 0.621 nan 8.290 nan 0.000 0.507 220 G N -1.163 107.613 108.800 -0.040 0.000 2.532 220 G HA2 0.682 4.642 3.960 -0.000 0.000 0.291 220 G HA3 0.682 4.642 3.960 -0.000 0.000 0.291 220 G C -0.068 174.834 174.900 0.004 0.000 1.349 220 G CA -1.000 44.094 45.100 -0.010 0.000 1.038 220 G HN 0.653 nan 8.290 nan 0.000 0.518 221 I N 0.274 120.858 120.570 0.024 0.000 2.389 221 I HA 0.261 4.431 4.170 -0.000 0.000 0.288 221 I C -0.590 175.563 176.117 0.061 0.000 0.999 221 I CA -0.711 60.610 61.300 0.034 0.000 1.129 221 I CB 2.060 40.078 38.000 0.030 0.000 1.288 221 I HN -0.052 nan 8.210 nan 0.000 0.444 222 V N 7.427 127.383 119.914 0.070 0.000 2.364 222 V HA 0.383 4.503 4.120 -0.000 0.000 0.272 222 V C 0.229 176.370 176.094 0.078 0.000 1.036 222 V CA -0.255 62.096 62.300 0.085 0.000 0.880 222 V CB 1.168 33.038 31.823 0.079 0.000 0.991 222 V HN 0.646 nan 8.190 nan 0.000 0.460 223 M N 6.527 126.205 119.600 0.131 0.000 2.227 223 M HA 0.590 5.070 4.480 -0.000 0.000 0.335 223 M C -0.634 175.714 176.300 0.081 0.000 1.053 223 M CA -0.188 55.177 55.300 0.108 0.000 0.973 223 M CB 1.876 34.584 32.600 0.181 0.000 1.623 223 M HN 0.597 nan 8.290 nan 0.000 0.434 224 M N 3.618 123.229 119.600 0.018 0.000 2.197 224 M HA 0.343 4.823 4.480 -0.000 0.000 0.301 224 M C -1.156 175.119 176.300 -0.042 0.000 0.987 224 M CA -0.427 54.871 55.300 -0.003 0.000 0.921 224 M CB 2.035 34.627 32.600 -0.013 0.000 1.569 224 M HN 0.749 nan 8.290 nan 0.000 0.431 225 Q N 4.439 124.206 119.800 -0.056 0.000 2.267 225 Q HA 0.622 4.961 4.340 -0.000 0.000 0.255 225 Q C -1.356 174.593 176.000 -0.085 0.000 0.923 225 Q CA -0.606 55.154 55.803 -0.072 0.000 0.925 225 Q CB 1.270 29.961 28.738 -0.078 0.000 1.195 225 Q HN 0.702 nan 8.270 nan 0.000 0.417 226 V N 0.679 120.545 119.914 -0.080 0.000 3.102 226 V HA 0.312 4.432 4.120 -0.000 0.000 0.312 226 V C 0.374 176.427 176.094 -0.068 0.000 1.135 226 V CA -0.781 61.462 62.300 -0.095 0.000 1.022 226 V CB 1.857 33.624 31.823 -0.092 0.000 1.056 226 V HN 0.930 nan 8.190 nan 0.000 0.436 227 Q N 1.174 120.933 119.800 -0.068 0.000 2.163 227 Q HA 0.118 4.458 4.340 -0.000 0.000 0.198 227 Q C 0.338 176.317 176.000 -0.034 0.000 0.954 227 Q CA 1.559 57.335 55.803 -0.045 0.000 0.851 227 Q CB 0.324 29.038 28.738 -0.040 0.000 0.928 227 Q HN 0.913 nan 8.270 nan 0.000 0.459 228 K N -1.181 119.197 120.400 -0.037 0.000 2.579 228 K HA 0.456 4.776 4.320 -0.000 0.000 0.284 228 K C -1.239 175.346 176.600 -0.024 0.000 0.990 228 K CA -0.689 55.583 56.287 -0.025 0.000 0.880 228 K CB 1.245 33.734 32.500 -0.018 0.000 1.488 228 K HN -0.111 nan 8.250 nan 0.000 0.425 229 M N 2.006 121.597 119.600 -0.014 0.000 2.528 229 M HA 0.476 4.956 4.480 -0.000 0.000 0.321 229 M C -0.413 175.886 176.300 -0.001 0.000 1.153 229 M CA -1.151 54.145 55.300 -0.007 0.000 0.951 229 M CB 2.178 34.776 32.600 -0.004 0.000 1.705 229 M HN 0.659 nan 8.290 nan 0.000 0.451 230 V N -0.947 118.970 119.914 0.004 0.000 3.155 230 V HA 0.616 4.736 4.120 -0.000 0.000 0.313 230 V C -0.514 175.583 176.094 0.006 0.000 1.162 230 V CA -1.209 61.093 62.300 0.004 0.000 1.048 230 V CB 1.800 33.626 31.823 0.005 0.000 1.092 230 V HN 0.905 nan 8.190 nan 0.000 0.447 231 K N 1.512 121.912 120.400 0.001 0.000 2.485 231 K HA 0.106 4.426 4.320 -0.000 0.000 0.277 231 K C 0.357 176.953 176.600 -0.007 0.000 0.990 231 K CA -0.116 56.170 56.287 -0.002 0.000 0.994 231 K CB 0.399 32.895 32.500 -0.007 0.000 0.906 231 K HN 0.881 nan 8.250 nan 0.000 0.488 232 K N 2.929 123.325 120.400 -0.006 0.000 2.543 232 K HA -0.162 4.158 4.320 -0.000 0.000 0.279 232 K C -0.017 176.550 176.600 -0.054 0.000 1.001 232 K CA 1.060 57.335 56.287 -0.020 0.000 1.088 232 K CB -0.039 32.452 32.500 -0.014 0.000 0.863 232 K HN 0.816 nan 8.250 nan 0.000 0.488 233 A N 2.514 125.273 122.820 -0.100 0.000 2.832 233 A HA -0.181 4.139 4.320 -0.000 0.000 0.280 233 A C 0.844 178.373 177.584 -0.092 0.000 1.464 233 A CA 1.793 53.747 52.037 -0.138 0.000 0.804 233 A CB -2.591 16.325 19.000 -0.140 0.000 1.020 233 A HN 1.013 nan 8.150 nan 0.000 0.563 234 T N -2.752 111.767 114.554 -0.059 0.000 3.054 234 T HA 0.576 4.926 4.350 -0.000 0.000 0.255 234 T C 0.526 175.211 174.700 -0.024 0.000 1.035 234 T CA 0.360 62.437 62.100 -0.040 0.000 0.941 234 T CB -0.098 68.756 68.868 -0.022 0.000 1.026 234 T HN 0.533 nan 8.240 nan 0.000 0.533 235 L N 1.763 122.974 121.223 -0.019 0.000 2.421 235 L HA 0.398 4.738 4.340 -0.000 0.000 0.263 235 L C 0.742 177.626 176.870 0.023 0.000 1.122 235 L CA -1.240 53.614 54.840 0.023 0.000 0.804 235 L CB 0.512 42.598 42.059 0.045 0.000 1.150 235 L HN 0.272 nan 8.230 nan 0.000 0.457 236 H N 4.249 123.312 119.070 -0.010 0.000 2.975 236 H HA 0.058 4.614 4.556 -0.000 0.000 0.303 236 H C -1.708 173.613 175.328 -0.012 0.000 1.023 236 H CA -1.519 54.521 56.048 -0.014 0.000 1.473 236 H CB 1.463 31.220 29.762 -0.010 0.000 1.498 236 H HN 0.342 nan 8.280 nan 0.000 0.549 237 P HA -0.152 nan 4.420 nan 0.000 0.217 237 P C 0.776 178.163 177.300 0.144 0.000 1.148 237 P CA 1.391 64.512 63.100 0.036 0.000 0.828 237 P CB 0.364 32.031 31.700 -0.055 0.000 0.783 238 K N -0.607 119.994 120.400 0.334 0.000 2.432 238 K HA 0.094 4.414 4.320 -0.000 0.000 0.196 238 K C 1.856 178.493 176.600 0.062 0.000 1.038 238 K CA 0.583 56.969 56.287 0.166 0.000 0.986 238 K CB -0.064 32.517 32.500 0.135 0.000 0.782 238 K HN 0.076 nan 8.250 nan 0.000 0.485 239 S N 0.446 116.207 115.700 0.103 0.000 2.503 239 S HA 0.048 4.518 4.470 -0.000 0.000 0.217 239 S C 0.548 175.193 174.600 0.075 0.000 0.999 239 S CA -0.123 58.108 58.200 0.052 0.000 0.914 239 S CB 0.424 63.660 63.200 0.060 0.000 0.782 239 S HN -0.060 nan 8.310 nan 0.000 0.520 240 V N 3.893 123.860 119.914 0.089 0.000 2.479 240 V HA 0.172 4.292 4.120 -0.000 0.000 0.281 240 V C 1.139 177.251 176.094 0.031 0.000 1.031 240 V CA 0.086 62.448 62.300 0.104 0.000 1.038 240 V CB 0.715 32.626 31.823 0.147 0.000 0.981 240 V HN 0.304 nan 8.190 nan 0.000 0.478 241 R N 4.086 124.608 120.500 0.036 0.000 2.254 241 R HA 0.390 4.730 4.340 -0.000 0.000 0.193 241 R C 0.069 176.314 176.300 -0.093 0.000 0.929 241 R CA 0.507 56.526 56.100 -0.135 0.000 1.038 241 R CB 0.534 30.584 30.300 -0.417 0.000 1.009 241 R HN 0.532 nan 8.270 nan 0.000 0.512 242 I N 3.157 123.730 120.570 0.006 0.000 2.439 242 I HA 0.281 4.451 4.170 -0.000 0.000 0.285 242 I C -2.535 173.428 176.117 -0.256 0.000 1.021 242 I CA -2.493 58.753 61.300 -0.091 0.000 1.091 242 I CB 2.483 40.491 38.000 0.014 0.000 1.242 242 I HN -0.309 nan 8.210 nan 0.000 0.439 243 P HA 0.095 nan 4.420 nan 0.000 0.271 243 P C 1.000 177.550 177.300 -1.251 0.000 1.216 243 P CA -0.076 62.458 63.100 -0.942 0.000 0.776 243 P CB 0.971 32.031 31.700 -1.067 0.000 0.881 244 G N 2.131 109.802 108.800 -1.881 0.000 2.432 244 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 244 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 244 G C 0.911 175.478 174.900 -0.555 0.000 1.135 244 G CA 0.569 45.061 45.100 -1.013 0.000 0.767 244 G HN 0.640 nan 8.290 nan 0.000 0.550 245 Y N -0.078 119.987 120.300 -0.392 0.000 2.574 245 Y HA 0.274 4.824 4.550 -0.000 0.000 0.294 245 Y C 1.999 177.725 175.900 -0.290 0.000 1.142 245 Y CA -0.054 57.914 58.100 -0.219 0.000 1.314 245 Y CB -0.489 37.881 38.460 -0.150 0.000 0.991 245 Y HN 0.118 nan 8.280 nan 0.000 0.555 246 L N 0.183 121.151 121.223 -0.425 0.000 2.554 246 L HA 0.125 4.465 4.340 -0.000 0.000 0.226 246 L C -0.017 176.789 176.870 -0.106 0.000 1.137 246 L CA -0.140 54.488 54.840 -0.353 0.000 0.863 246 L CB 0.090 41.935 42.059 -0.356 0.000 0.985 246 L HN 0.030 nan 8.230 nan 0.000 0.451 247 V N -0.049 119.796 119.914 -0.114 0.000 2.398 247 V HA 0.169 4.289 4.120 -0.000 0.000 0.286 247 V C 0.170 176.257 176.094 -0.013 0.000 1.026 247 V CA -0.439 61.829 62.300 -0.053 0.000 0.868 247 V CB 1.857 33.626 31.823 -0.091 0.000 0.982 247 V HN 0.100 nan 8.190 nan 0.000 0.443 248 D N 3.317 123.720 120.400 0.004 0.000 2.431 248 D HA 0.303 4.943 4.640 -0.000 0.000 0.227 248 D C 0.253 176.520 176.300 -0.055 0.000 1.030 248 D CA 0.910 54.902 54.000 -0.015 0.000 0.897 248 D CB 1.371 42.162 40.800 -0.015 0.000 1.058 248 D HN 0.379 nan 8.370 nan 0.000 0.500 249 I N 1.345 121.889 120.570 -0.043 0.000 2.569 249 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 249 I C -0.922 175.178 176.117 -0.028 0.000 1.088 249 I CA -0.813 60.456 61.300 -0.052 0.000 1.047 249 I CB 3.227 41.187 38.000 -0.067 0.000 1.237 249 I HN -0.386 nan 8.210 nan 0.000 0.421 250 V N 6.566 126.463 119.914 -0.028 0.000 2.435 250 V HA 0.424 4.544 4.120 -0.000 0.000 0.290 250 V C -0.147 175.931 176.094 -0.027 0.000 1.030 250 V CA -0.673 61.609 62.300 -0.028 0.000 0.881 250 V CB 2.239 34.046 31.823 -0.027 0.000 0.983 250 V HN 0.394 nan 8.190 nan 0.000 0.445 251 V N 5.608 125.499 119.914 -0.038 0.000 2.370 251 V HA 0.389 4.509 4.120 -0.000 0.000 0.283 251 V C -0.128 175.942 176.094 -0.042 0.000 1.023 251 V CA -0.588 61.688 62.300 -0.041 0.000 0.857 251 V CB 1.896 33.681 31.823 -0.063 0.000 0.985 251 V HN 0.606 nan 8.190 nan 0.000 0.443 252 V N 4.022 123.918 119.914 -0.031 0.000 2.364 252 V HA 0.330 4.450 4.120 -0.000 0.000 0.272 252 V C -0.197 175.881 176.094 -0.028 0.000 1.036 252 V CA -0.290 61.992 62.300 -0.030 0.000 0.880 252 V CB 1.484 33.294 31.823 -0.021 0.000 0.991 252 V HN 0.925 nan 8.190 nan 0.000 0.460 253 D N 7.770 128.151 120.400 -0.032 0.000 2.464 253 D HA 0.364 5.004 4.640 -0.000 0.000 0.243 253 D C -1.267 175.020 176.300 -0.021 0.000 1.104 253 D CA -2.188 51.797 54.000 -0.025 0.000 0.883 253 D CB 2.106 42.889 40.800 -0.028 0.000 1.050 253 D HN 0.211 nan 8.370 nan 0.000 0.524 254 P HA -0.091 nan 4.420 nan 0.000 0.219 254 P C 0.109 177.404 177.300 -0.008 0.000 1.146 254 P CA 0.871 63.964 63.100 -0.012 0.000 0.808 254 P CB 0.456 32.151 31.700 -0.009 0.000 0.779 255 D N -0.696 119.700 120.400 -0.006 0.000 2.325 255 D HA 0.003 4.643 4.640 -0.000 0.000 0.225 255 D C 0.950 177.252 176.300 0.003 0.000 1.096 255 D CA 0.036 54.035 54.000 -0.001 0.000 0.844 255 D CB -0.274 40.526 40.800 0.001 0.000 0.925 255 D HN 0.339 nan 8.370 nan 0.000 0.513 256 Q N 1.138 120.936 119.800 -0.003 0.000 2.283 256 Q HA 0.011 4.351 4.340 -0.000 0.000 0.301 256 Q C -0.430 175.575 176.000 0.008 0.000 1.063 256 Q CA 0.480 56.282 55.803 -0.001 0.000 0.952 256 Q CB 0.545 29.272 28.738 -0.018 0.000 1.166 256 Q HN -0.122 nan 8.270 nan 0.000 0.381 257 S N 2.383 118.098 115.700 0.024 0.000 2.501 257 S HA 0.163 4.633 4.470 -0.000 0.000 0.301 257 S C 0.415 175.031 174.600 0.027 0.000 1.096 257 S CA -0.622 57.597 58.200 0.032 0.000 1.063 257 S CB 1.564 64.798 63.200 0.056 0.000 1.042 257 S HN 0.853 nan 8.310 nan 0.000 0.494 258 Q N 1.841 121.653 119.800 0.020 0.000 2.096 258 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 258 Q C -0.154 175.843 176.000 -0.005 0.000 0.982 258 Q CA 1.294 57.102 55.803 0.008 0.000 0.850 258 Q CB -0.040 28.706 28.738 0.014 0.000 0.901 258 Q HN 0.564 nan 8.270 nan 0.000 0.422 259 L N -1.590 119.639 121.223 0.010 0.000 2.341 259 L HA 0.351 4.691 4.340 -0.000 0.000 0.254 259 L C -0.795 176.130 176.870 0.093 0.000 1.040 259 L CA -1.480 53.351 54.840 -0.015 0.000 0.837 259 L CB 0.833 42.885 42.059 -0.011 0.000 1.425 259 L HN -0.065 nan 8.230 nan 0.000 0.414 260 Y N 0.806 121.117 120.300 0.017 0.000 2.788 260 Y HA 0.268 4.818 4.550 -0.000 0.000 0.341 260 Y C 1.349 177.257 175.900 0.014 0.000 1.258 260 Y CA 0.727 58.837 58.100 0.016 0.000 1.503 260 Y CB -0.016 38.455 38.460 0.018 0.000 1.325 260 Y HN 0.747 nan 8.280 nan 0.000 0.614 261 G N -0.154 108.747 108.800 0.168 0.000 2.255 261 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.196 261 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.196 261 G C 0.968 175.904 174.900 0.060 0.000 0.998 261 G CA 0.239 45.393 45.100 0.090 0.000 0.656 261 G HN 1.718 nan 8.290 nan 0.000 0.490 262 G N -0.118 108.721 108.800 0.065 0.000 2.168 262 G HA2 0.152 4.112 3.960 -0.000 0.000 0.263 262 G HA3 0.152 4.112 3.960 -0.000 0.000 0.263 262 G C 0.997 175.919 174.900 0.036 0.000 0.977 262 G CA 1.265 46.391 45.100 0.043 0.000 0.659 262 G HN 2.319 nan 8.290 nan 0.000 0.533 263 A N 0.495 123.339 122.820 0.041 0.000 2.483 263 A HA 0.592 4.912 4.320 -0.000 0.000 0.238 263 A C -0.758 176.844 177.584 0.031 0.000 1.070 263 A CA -0.083 51.974 52.037 0.034 0.000 0.770 263 A CB 0.045 19.068 19.000 0.039 0.000 1.008 263 A HN 0.283 nan 8.150 nan 0.000 0.497 264 P HA 0.153 nan 4.420 nan 0.000 0.271 264 P C 0.097 177.413 177.300 0.026 0.000 1.233 264 P CA -0.436 62.676 63.100 0.021 0.000 0.789 264 P CB 0.356 32.066 31.700 0.016 0.000 0.951 265 V N 2.308 122.234 119.914 0.020 0.000 2.681 265 V HA -0.059 4.061 4.120 -0.000 0.000 0.306 265 V C 0.251 176.365 176.094 0.033 0.000 1.077 265 V CA 0.410 62.724 62.300 0.024 0.000 1.224 265 V CB -0.486 31.347 31.823 0.016 0.000 0.879 265 V HN 0.536 nan 8.190 nan 0.000 0.494 266 N N 6.608 125.339 118.700 0.050 0.000 2.469 266 N HA 0.337 5.077 4.740 -0.000 0.000 0.253 266 N C 0.736 176.290 175.510 0.073 0.000 0.970 266 N CA -0.584 52.515 53.050 0.082 0.000 0.940 266 N CB 1.228 39.790 38.487 0.124 0.000 1.128 266 N HN 0.659 nan 8.380 nan 0.000 0.503 267 R N 2.757 123.264 120.500 0.012 0.000 2.235 267 R HA 0.010 4.350 4.340 -0.000 0.000 0.213 267 R C 0.920 177.235 176.300 0.025 0.000 1.059 267 R CA 0.550 56.669 56.100 0.032 0.000 0.997 267 R CB -0.275 30.104 30.300 0.131 0.000 0.884 267 R HN 0.534 nan 8.270 nan 0.000 0.462 268 F N 0.710 120.754 119.950 0.158 0.000 2.146 268 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 268 F C 2.313 178.147 175.800 0.056 0.000 1.096 268 F CA 0.795 58.865 58.000 0.117 0.000 1.275 268 F CB -0.564 38.479 39.000 0.073 0.000 1.008 268 F HN -0.131 nan 8.300 nan 0.000 0.480 269 I N -0.719 119.984 120.570 0.221 0.000 2.286 269 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 269 I C 2.200 178.351 176.117 0.056 0.000 1.115 269 I CA 1.157 62.522 61.300 0.109 0.000 1.392 269 I CB -0.572 37.476 38.000 0.081 0.000 1.065 269 I HN 0.035 nan 8.210 nan 0.000 0.418 270 S N 0.259 115.991 115.700 0.052 0.000 2.447 270 S HA -0.033 4.437 4.470 -0.000 0.000 0.233 270 S C 1.688 176.284 174.600 -0.007 0.000 1.006 270 S CA 1.080 59.290 58.200 0.017 0.000 0.957 270 S CB -0.073 63.136 63.200 0.015 0.000 0.773 270 S HN 0.737 nan 8.310 nan 0.000 0.507 271 G N 1.094 109.898 108.800 0.007 0.000 2.159 271 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.227 271 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.227 271 G C 0.278 175.125 174.900 -0.089 0.000 0.986 271 G CA 0.294 45.383 45.100 -0.019 0.000 0.651 271 G HN 0.447 nan 8.290 nan 0.000 0.523 272 D N -0.566 119.736 120.400 -0.164 0.000 2.289 272 D HA 0.251 4.891 4.640 -0.000 0.000 0.207 272 D C 0.514 176.316 176.300 -0.830 0.000 0.966 272 D CA 0.821 54.533 54.000 -0.478 0.000 0.868 272 D CB 0.190 40.653 40.800 -0.563 0.000 0.943 272 D HN 0.403 nan 8.370 nan 0.000 0.514 273 F N -0.360 119.527 119.950 -0.105 0.000 2.599 273 F HA 0.307 4.833 4.527 -0.000 0.000 0.311 273 F C 0.205 176.098 175.800 0.155 0.000 1.076 273 F CA -0.936 57.012 58.000 -0.088 0.000 0.937 273 F CB 1.818 40.568 39.000 -0.417 0.000 1.282 273 F HN -0.515 nan 8.300 nan 0.000 0.460 274 T N 3.531 118.316 114.554 0.385 0.000 2.733 274 T HA 0.397 4.747 4.350 -0.000 0.000 0.294 274 T C -0.512 174.419 174.700 0.385 0.000 0.956 274 T CA -0.359 61.926 62.100 0.309 0.000 0.987 274 T CB 0.678 69.643 68.868 0.161 0.000 0.920 274 T HN 0.403 nan 8.240 nan 0.000 0.470 275 L N 4.016 125.374 121.223 0.224 0.000 2.416 275 L HA 0.284 4.624 4.340 -0.000 0.000 0.272 275 L C 0.612 177.444 176.870 -0.063 0.000 1.161 275 L CA -0.054 54.693 54.840 -0.156 0.000 0.845 275 L CB 0.427 42.197 42.059 -0.482 0.000 1.119 275 L HN 0.518 nan 8.230 nan 0.000 0.464 285 L N 3.597 124.808 121.223 -0.019 0.000 2.401 285 L HA 0.397 4.737 4.340 -0.000 0.000 0.283 285 L C 0.070 176.927 176.870 -0.021 0.000 1.151 285 L CA 0.229 55.052 54.840 -0.029 0.000 0.942 285 L CB -1.084 40.963 42.059 -0.021 0.000 1.283 285 L HN 0.512 nan 8.230 nan 0.000 0.442 286 N N 1.401 120.083 118.700 -0.030 0.000 2.906 286 N HA 0.256 4.996 4.740 -0.000 0.000 0.327 286 N C 0.485 175.974 175.510 -0.034 0.000 1.344 286 N CA -0.263 52.775 53.050 -0.020 0.000 0.823 286 N CB 0.106 38.584 38.487 -0.016 0.000 1.351 286 N HN 0.442 nan 8.380 nan 0.000 0.604 287 Q N -0.519 119.269 119.800 -0.020 0.000 2.170 287 Q HA -0.048 4.291 4.340 -0.000 0.000 0.203 287 Q C 1.244 177.216 176.000 -0.047 0.000 0.976 287 Q CA 1.059 56.848 55.803 -0.023 0.000 0.858 287 Q CB -0.221 28.517 28.738 0.001 0.000 0.907 287 Q HN 0.516 nan 8.270 nan 0.000 0.433 288 R N 0.978 121.450 120.500 -0.046 0.000 2.075 288 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 288 R C 2.348 178.599 176.300 -0.083 0.000 1.126 288 R CA 1.476 57.542 56.100 -0.057 0.000 0.963 288 R CB -0.235 30.039 30.300 -0.044 0.000 0.858 288 R HN 0.244 nan 8.270 nan 0.000 0.435 289 K N 0.951 121.299 120.400 -0.086 0.000 2.097 289 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 289 K C 2.078 178.581 176.600 -0.162 0.000 1.050 289 K CA 0.874 57.095 56.287 -0.110 0.000 0.938 289 K CB -0.079 32.367 32.500 -0.090 0.000 0.718 289 K HN 0.000 nan 8.250 nan 0.000 0.442 290 L N 1.106 122.225 121.223 -0.173 0.000 1.990 290 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 290 L C 2.004 178.718 176.870 -0.260 0.000 1.072 290 L CA 1.638 56.318 54.840 -0.267 0.000 0.755 290 L CB -0.620 41.291 42.059 -0.246 0.000 0.889 290 L HN 0.004 nan 8.230 nan 0.000 0.432 291 V N 0.045 119.860 119.914 -0.164 0.000 2.343 291 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 291 V C 2.804 178.799 176.094 -0.166 0.000 1.051 291 V CA 1.562 63.787 62.300 -0.125 0.000 1.036 291 V CB -1.369 30.426 31.823 -0.048 0.000 0.654 291 V HN 0.631 nan 8.190 nan 0.000 0.451 292 A N -0.177 122.537 122.820 -0.177 0.000 1.933 292 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 292 A C 2.383 179.804 177.584 -0.271 0.000 1.175 292 A CA 1.805 53.713 52.037 -0.215 0.000 0.628 292 A CB -0.462 18.431 19.000 -0.177 0.000 0.814 292 A HN 0.502 nan 8.150 nan 0.000 0.444 293 R N -1.266 119.055 120.500 -0.298 0.000 2.070 293 R HA -0.127 4.213 4.340 -0.000 0.000 0.233 293 R C 2.482 178.416 176.300 -0.610 0.000 1.137 293 R CA 1.613 57.478 56.100 -0.391 0.000 0.945 293 R CB -0.277 29.793 30.300 -0.383 0.000 0.845 293 R HN 0.403 nan 8.270 nan 0.000 0.430 294 R N 1.084 121.208 120.500 -0.626 0.000 2.096 294 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 294 R C 1.922 178.012 176.300 -0.350 0.000 1.127 294 R CA 1.839 57.514 56.100 -0.709 0.000 0.968 294 R CB -0.751 29.294 30.300 -0.425 0.000 0.861 294 R HN 0.265 nan 8.270 nan 0.000 0.440 295 A N 0.456 123.152 122.820 -0.206 0.000 1.940 295 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 295 A C 2.055 179.634 177.584 -0.008 0.000 1.176 295 A CA 1.527 53.547 52.037 -0.029 0.000 0.631 295 A CB -0.708 18.207 19.000 -0.140 0.000 0.814 295 A HN 0.378 nan 8.150 nan 0.000 0.446 296 L N -1.464 119.646 121.223 -0.188 0.000 2.191 296 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 296 L C 1.859 178.726 176.870 -0.005 0.000 1.103 296 L CA 1.606 56.339 54.840 -0.178 0.000 0.769 296 L CB -0.699 41.166 42.059 -0.323 0.000 0.908 296 L HN 0.323 nan 8.230 nan 0.000 0.438 297 F N 0.148 119.954 119.950 -0.240 0.000 2.333 297 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 297 F C 2.374 178.225 175.800 0.086 0.000 1.083 297 F CA 0.784 58.783 58.000 -0.002 0.000 1.395 297 F CB -0.699 38.315 39.000 0.023 0.000 1.056 297 F HN 0.247 nan 8.300 nan 0.000 0.529 298 E N -0.734 119.605 120.200 0.231 0.000 2.435 298 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 298 E C 0.971 177.600 176.600 0.048 0.000 1.029 298 E CA 0.100 56.571 56.400 0.118 0.000 0.865 298 E CB -0.192 29.547 29.700 0.065 0.000 0.833 298 E HN 0.255 nan 8.360 nan 0.000 0.510 299 M N 1.571 121.203 119.600 0.054 0.000 2.247 299 M HA 0.143 4.623 4.480 -0.000 0.000 0.326 299 M C 0.030 176.317 176.300 -0.023 0.000 1.134 299 M CA -0.087 55.159 55.300 -0.090 0.000 1.136 299 M CB 0.665 33.038 32.600 -0.378 0.000 1.454 299 M HN -0.113 nan 8.290 nan 0.000 0.467 300 R N 1.498 121.968 120.500 -0.050 0.000 2.799 300 R HA 0.564 4.904 4.340 -0.000 0.000 0.270 300 R C -1.192 175.145 176.300 0.062 0.000 1.010 300 R CA -1.160 54.947 56.100 0.012 0.000 0.916 300 R CB 0.852 31.157 30.300 0.009 0.000 1.228 300 R HN 0.579 nan 8.270 nan 0.000 0.469 301 K N 0.428 120.880 120.400 0.087 0.000 2.511 301 K HA 0.097 4.417 4.320 -0.000 0.000 0.280 301 K C 0.761 177.430 176.600 0.115 0.000 1.008 301 K CA 1.525 57.889 56.287 0.128 0.000 1.050 301 K CB 0.292 32.838 32.500 0.076 0.000 0.889 301 K HN 0.933 nan 8.250 nan 0.000 0.484 302 G N 1.120 110.012 108.800 0.153 0.000 2.184 302 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 302 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 302 G C 0.254 175.231 174.900 0.127 0.000 0.975 302 G CA 0.186 45.358 45.100 0.120 0.000 0.642 302 G HN 0.866 nan 8.290 nan 0.000 0.536 303 A N -0.441 122.464 122.820 0.143 0.000 2.351 303 A HA 0.690 5.010 4.320 -0.000 0.000 0.257 303 A C 0.405 178.091 177.584 0.171 0.000 1.087 303 A CA 0.365 52.470 52.037 0.112 0.000 0.798 303 A CB 1.084 20.110 19.000 0.043 0.000 1.033 303 A HN 1.150 nan 8.150 nan 0.000 0.488 304 V N 1.880 121.883 119.914 0.149 0.000 2.370 304 V HA 0.659 4.779 4.120 -0.000 0.000 0.283 304 V C 0.832 177.014 176.094 0.146 0.000 1.023 304 V CA 0.320 62.736 62.300 0.193 0.000 0.857 304 V CB 0.990 32.971 31.823 0.264 0.000 0.985 304 V HN 1.219 nan 8.190 nan 0.000 0.443 305 G N 3.535 112.439 108.800 0.174 0.000 3.042 305 G HA2 0.567 4.526 3.960 -0.000 0.000 0.278 305 G HA3 0.567 4.526 3.960 -0.000 0.000 0.278 305 G C -1.093 173.882 174.900 0.125 0.000 1.371 305 G CA -0.802 44.362 45.100 0.108 0.000 1.009 305 G HN 0.691 nan 8.290 nan 0.000 0.523 306 N N -0.751 117.998 118.700 0.081 0.000 2.319 306 N HA 0.307 5.047 4.740 -0.000 0.000 0.305 306 N C -0.631 174.959 175.510 0.133 0.000 1.103 306 N CA -0.507 52.583 53.050 0.066 0.000 0.815 306 N CB 2.150 40.572 38.487 -0.108 0.000 1.288 306 N HN 0.224 nan 8.380 nan 0.000 0.493 307 V N 1.232 121.211 119.914 0.107 0.000 2.458 307 V HA 0.212 4.332 4.120 -0.000 0.000 0.287 307 V C 1.450 177.590 176.094 0.077 0.000 1.009 307 V CA 0.130 62.480 62.300 0.083 0.000 1.091 307 V CB -0.209 31.650 31.823 0.059 0.000 0.960 307 V HN 0.796 nan 8.190 nan 0.000 0.476 308 G N 4.110 112.954 108.800 0.073 0.000 2.476 308 G HA2 0.504 4.464 3.960 -0.000 0.000 0.286 308 G HA3 0.504 4.464 3.960 -0.000 0.000 0.286 308 G C -0.697 174.244 174.900 0.068 0.000 1.177 308 G CA -0.465 44.685 45.100 0.084 0.000 0.870 308 G HN 0.581 nan 8.290 nan 0.000 0.528 309 V N 1.739 121.710 119.914 0.095 0.000 2.347 309 V HA 0.777 4.897 4.120 -0.000 0.000 0.280 309 V C 0.919 177.065 176.094 0.087 0.000 1.021 309 V CA 0.915 63.266 62.300 0.086 0.000 0.847 309 V CB 0.047 31.931 31.823 0.102 0.000 0.990 309 V HN 1.696 nan 8.190 nan 0.000 0.444 310 G N 4.049 112.881 108.800 0.054 0.000 2.408 310 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.204 310 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.204 310 G C 0.537 175.441 174.900 0.007 0.000 1.186 310 G CA -0.091 45.031 45.100 0.037 0.000 1.139 310 G HN 0.643 nan 8.290 nan 0.000 0.563 311 I N 1.791 122.354 120.570 -0.012 0.000 2.657 311 I HA 0.023 4.193 4.170 -0.000 0.000 0.261 311 I C 2.682 178.775 176.117 -0.040 0.000 1.212 311 I CA 2.259 63.539 61.300 -0.033 0.000 1.453 311 I CB -0.188 37.779 38.000 -0.055 0.000 1.092 311 I HN 0.747 nan 8.210 nan 0.000 0.452 312 A N 0.332 123.139 122.820 -0.021 0.000 2.169 312 A HA -0.122 4.198 4.320 -0.000 0.000 0.212 312 A C 1.626 179.155 177.584 -0.092 0.000 1.153 312 A CA 0.981 52.982 52.037 -0.060 0.000 0.756 312 A CB -0.454 18.555 19.000 0.014 0.000 0.813 312 A HN 0.625 nan 8.150 nan 0.000 0.471 313 D N -0.667 119.705 120.400 -0.046 0.000 2.348 313 D HA 0.018 4.658 4.640 -0.000 0.000 0.216 313 D C 1.380 177.646 176.300 -0.057 0.000 0.970 313 D CA 1.046 55.024 54.000 -0.038 0.000 0.889 313 D CB -0.681 40.114 40.800 -0.009 0.000 0.912 313 D HN 0.237 nan 8.370 nan 0.000 0.524 314 G N 0.008 108.760 108.800 -0.079 0.000 2.985 314 G HA2 0.048 4.008 3.960 -0.000 0.000 0.209 314 G HA3 0.048 4.008 3.960 -0.000 0.000 0.209 314 G C 1.486 176.325 174.900 -0.101 0.000 1.165 314 G CA -0.101 44.952 45.100 -0.079 0.000 0.776 314 G HN 0.297 nan 8.290 nan 0.000 0.541 315 I N 1.471 121.951 120.570 -0.150 0.000 2.163 315 I HA -0.123 4.047 4.170 -0.000 0.000 0.243 315 I C 3.047 179.137 176.117 -0.045 0.000 1.085 315 I CA 1.252 62.447 61.300 -0.176 0.000 1.347 315 I CB -0.266 37.509 38.000 -0.375 0.000 1.044 315 I HN 0.214 nan 8.210 nan 0.000 0.408 316 G N 0.876 109.671 108.800 -0.009 0.000 2.476 316 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 316 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 316 G C 1.717 176.622 174.900 0.008 0.000 1.164 316 G CA 0.687 45.807 45.100 0.032 0.000 0.768 316 G HN 0.282 nan 8.290 nan 0.000 0.560 317 L N 0.076 121.290 121.223 -0.016 0.000 2.093 317 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 317 L C 3.036 179.898 176.870 -0.014 0.000 1.085 317 L CA 0.451 55.279 54.840 -0.020 0.000 0.755 317 L CB -0.364 41.678 42.059 -0.029 0.000 0.904 317 L HN 0.116 nan 8.230 nan 0.000 0.435 318 V N 0.009 119.908 119.914 -0.025 0.000 2.295 318 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 318 V C 2.749 178.857 176.094 0.023 0.000 1.049 318 V CA 1.795 64.079 62.300 -0.027 0.000 1.024 318 V CB -0.892 30.880 31.823 -0.084 0.000 0.648 318 V HN 0.488 nan 8.190 nan 0.000 0.447 319 A N -0.139 122.723 122.820 0.070 0.000 1.940 319 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 319 A C 2.376 180.024 177.584 0.107 0.000 1.176 319 A CA 1.990 54.129 52.037 0.170 0.000 0.631 319 A CB -0.496 18.710 19.000 0.343 0.000 0.814 319 A HN 0.522 nan 8.150 nan 0.000 0.446 320 R N -0.866 119.661 120.500 0.045 0.000 2.066 320 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 320 R C 2.339 178.656 176.300 0.028 0.000 1.131 320 R CA 1.436 57.545 56.100 0.016 0.000 0.955 320 R CB -0.331 29.963 30.300 -0.010 0.000 0.851 320 R HN 0.756 nan 8.270 nan 0.000 0.432 321 E N 0.664 120.881 120.200 0.027 0.000 2.085 321 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 321 E C 1.239 177.873 176.600 0.056 0.000 0.994 321 E CA 1.149 57.567 56.400 0.030 0.000 0.801 321 E CB 0.219 29.929 29.700 0.017 0.000 0.743 321 E HN 0.238 nan 8.360 nan 0.000 0.453 322 E N -0.809 119.445 120.200 0.091 0.000 2.481 322 E HA 0.004 4.354 4.350 -0.000 0.000 0.195 322 E C 0.992 177.672 176.600 0.134 0.000 1.047 322 E CA 0.723 57.210 56.400 0.144 0.000 0.867 322 E CB 0.474 30.322 29.700 0.246 0.000 0.858 322 E HN 0.442 nan 8.360 nan 0.000 0.513 323 G N 1.897 110.755 108.800 0.096 0.000 2.221 323 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.265 323 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.265 323 G C 0.821 175.770 174.900 0.082 0.000 1.041 323 G CA 0.497 45.637 45.100 0.067 0.000 0.807 323 G HN 0.436 nan 8.290 nan 0.000 0.502 324 C N -2.622 116.757 119.300 0.133 0.000 3.255 324 C HA 0.802 5.261 4.460 -0.000 0.000 0.282 324 C C 2.442 177.492 174.990 0.100 0.000 1.441 324 C CA 0.391 59.510 59.018 0.168 0.000 1.785 324 C CB -0.059 27.865 27.740 0.306 0.000 2.583 324 C HN 1.325 nan 8.230 nan 0.000 0.615 325 A N 1.472 124.276 122.820 -0.027 0.000 2.019 325 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 325 A C 1.613 178.951 177.584 -0.410 0.000 1.164 325 A CA 2.024 53.896 52.037 -0.274 0.000 0.644 325 A CB -0.413 18.489 19.000 -0.163 0.000 0.805 325 A HN 0.610 nan 8.150 nan 0.000 0.449 326 D N -0.063 120.216 120.400 -0.202 0.000 2.340 326 D HA 0.012 4.652 4.640 -0.000 0.000 0.220 326 D C 0.256 176.486 176.300 -0.116 0.000 1.039 326 D CA 0.340 54.244 54.000 -0.161 0.000 0.866 326 D CB 0.017 40.768 40.800 -0.082 0.000 0.913 326 D HN 0.365 nan 8.370 nan 0.000 0.523 327 D N -0.300 120.052 120.400 -0.081 0.000 2.354 327 D HA 0.069 4.709 4.640 -0.000 0.000 0.209 327 D C 0.615 177.023 176.300 0.180 0.000 1.015 327 D CA 0.173 54.217 54.000 0.072 0.000 0.867 327 D CB 0.469 41.365 40.800 0.160 0.000 0.933 327 D HN 0.300 nan 8.370 nan 0.000 0.520 328 F N -0.935 119.044 119.950 0.049 0.000 2.692 328 F HA 0.636 5.163 4.527 -0.000 0.000 0.320 328 F C -1.374 174.456 175.800 0.049 0.000 1.123 328 F CA -1.719 56.314 58.000 0.055 0.000 0.961 328 F CB 1.144 40.191 39.000 0.078 0.000 1.383 328 F HN -0.321 nan 8.300 nan 0.000 0.483 329 I N 2.039 122.755 120.570 0.244 0.000 2.498 329 I HA 0.570 4.739 4.170 -0.000 0.000 0.290 329 I C -1.639 174.619 176.117 0.234 0.000 1.032 329 I CA -0.914 60.450 61.300 0.106 0.000 1.073 329 I CB 1.834 39.870 38.000 0.060 0.000 1.251 329 I HN 0.644 nan 8.210 nan 0.000 0.426 330 L N 6.567 127.886 121.223 0.160 0.000 2.317 330 L HA 0.629 4.969 4.340 -0.000 0.000 0.281 330 L C 0.015 176.953 176.870 0.112 0.000 1.024 330 L CA -0.632 54.318 54.840 0.184 0.000 0.810 330 L CB 1.793 43.969 42.059 0.196 0.000 1.240 330 L HN 0.654 nan 8.230 nan 0.000 0.427 331 T N -0.272 114.365 114.554 0.139 0.000 2.925 331 T HA 0.694 5.044 4.350 -0.000 0.000 0.285 331 T C -0.339 174.441 174.700 0.133 0.000 1.021 331 T CA -0.762 61.413 62.100 0.124 0.000 1.042 331 T CB 2.046 71.031 68.868 0.194 0.000 1.037 331 T HN 0.178 nan 8.240 nan 0.000 0.481 332 V N 2.742 122.705 119.914 0.082 0.000 2.435 332 V HA 0.268 4.387 4.120 -0.000 0.000 0.290 332 V C 1.388 177.516 176.094 0.057 0.000 1.030 332 V CA -0.665 61.676 62.300 0.069 0.000 0.881 332 V CB 1.134 32.969 31.823 0.020 0.000 0.983 332 V HN 1.073 nan 8.190 nan 0.000 0.445 333 E N 1.908 122.168 120.200 0.099 0.000 2.147 333 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 333 E C 1.795 178.286 176.600 -0.182 0.000 1.005 333 E CA 1.867 58.263 56.400 -0.007 0.000 0.810 333 E CB -0.075 29.722 29.700 0.162 0.000 0.736 333 E HN 0.975 nan 8.360 nan 0.000 0.460 334 T N -3.365 111.180 114.554 -0.016 0.000 3.148 334 T HA 0.251 4.601 4.350 -0.000 0.000 0.253 334 T C 1.371 176.044 174.700 -0.046 0.000 1.134 334 T CA 0.523 62.633 62.100 0.017 0.000 1.051 334 T CB 0.762 69.656 68.868 0.044 0.000 0.959 334 T HN 0.349 nan 8.240 nan 0.000 0.525 335 G N 1.018 109.756 108.800 -0.104 0.000 2.905 335 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.196 335 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.196 335 G C -2.673 172.161 174.900 -0.109 0.000 1.044 335 G CA -0.613 44.419 45.100 -0.114 0.000 0.778 335 G HN 0.511 nan 8.290 nan 0.000 0.474 336 P HA 0.537 nan 4.420 nan 0.000 0.269 336 P C -0.291 176.973 177.300 -0.061 0.000 1.209 336 P CA 0.340 63.390 63.100 -0.084 0.000 0.776 336 P CB 0.899 32.556 31.700 -0.071 0.000 0.876 337 I N 1.756 122.289 120.570 -0.061 0.000 2.447 337 I HA 0.547 4.717 4.170 -0.000 0.000 0.287 337 I C 0.731 176.824 176.117 -0.040 0.000 1.023 337 I CA -0.128 61.142 61.300 -0.050 0.000 1.083 337 I CB 1.378 39.330 38.000 -0.081 0.000 1.245 337 I HN 0.621 nan 8.210 nan 0.000 0.434 338 G N 4.063 112.848 108.800 -0.024 0.000 2.693 338 G HA2 0.325 4.285 3.960 -0.000 0.000 0.226 338 G HA3 0.325 4.285 3.960 -0.000 0.000 0.226 338 G C 0.004 174.882 174.900 -0.035 0.000 1.354 338 G CA -0.157 44.922 45.100 -0.036 0.000 0.873 338 G HN 1.696 nan 8.290 nan 0.000 0.562 339 G N -1.953 106.821 108.800 -0.044 0.000 2.661 339 G HA2 0.516 4.476 3.960 -0.000 0.000 0.685 339 G HA3 0.516 4.476 3.960 -0.000 0.000 0.685 339 G C -0.197 174.678 174.900 -0.041 0.000 1.298 339 G CA 0.258 45.337 45.100 -0.036 0.000 0.855 339 G HN 2.487 nan 8.290 nan 0.000 0.560 340 I N -3.162 117.386 120.570 -0.037 0.000 3.042 340 I HA 0.878 5.048 4.170 -0.000 0.000 0.310 340 I C 0.333 176.427 176.117 -0.038 0.000 1.117 340 I CA -1.060 60.215 61.300 -0.042 0.000 1.003 340 I CB 1.913 39.882 38.000 -0.052 0.000 1.228 340 I HN 0.626 nan 8.210 nan 0.000 0.443 350 N N 0.049 118.744 118.700 -0.008 0.000 2.445 350 N HA 0.648 5.388 4.740 -0.000 0.000 0.264 350 N C 0.222 175.735 175.510 0.005 0.000 1.227 350 N CA -0.213 52.832 53.050 -0.008 0.000 0.963 350 N CB 1.663 40.141 38.487 -0.015 0.000 1.188 350 N HN 0.825 nan 8.380 nan 0.000 0.491 351 V N -1.224 118.694 119.914 0.005 0.000 3.158 351 V HA 0.522 4.642 4.120 -0.000 0.000 0.315 351 V C -0.053 176.054 176.094 0.022 0.000 1.148 351 V CA -0.955 61.368 62.300 0.039 0.000 1.042 351 V CB 1.678 33.528 31.823 0.045 0.000 1.101 351 V HN 0.782 nan 8.190 nan 0.000 0.448 352 N N 0.218 118.951 118.700 0.054 0.000 2.735 352 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 352 N C 0.354 175.864 175.510 -0.000 0.000 1.083 352 N CA 1.357 54.426 53.050 0.031 0.000 0.703 352 N CB -1.956 36.537 38.487 0.011 0.000 1.005 352 N HN 1.407 nan 8.380 nan 0.000 0.550 353 T N -3.040 111.511 114.554 -0.005 0.000 2.802 353 T HA 0.299 4.649 4.350 -0.000 0.000 0.305 353 T C 1.413 176.095 174.700 -0.030 0.000 1.053 353 T CA -0.209 61.875 62.100 -0.026 0.000 1.058 353 T CB 1.488 70.334 68.868 -0.037 0.000 0.988 353 T HN 0.043 nan 8.240 nan 0.000 0.539 354 R N 0.661 121.137 120.500 -0.039 0.000 2.206 354 R HA 0.538 4.878 4.340 -0.000 0.000 0.198 354 R C 0.650 176.923 176.300 -0.045 0.000 0.986 354 R CA 0.614 56.690 56.100 -0.041 0.000 1.029 354 R CB -0.344 29.929 30.300 -0.045 0.000 0.966 354 R HN 0.900 nan 8.270 nan 0.000 0.487 355 A N 0.489 123.279 122.820 -0.051 0.000 2.597 355 A HA 0.638 4.958 4.320 -0.000 0.000 0.292 355 A C -1.518 176.031 177.584 -0.059 0.000 1.057 355 A CA -0.675 51.333 52.037 -0.050 0.000 0.674 355 A CB 1.061 20.024 19.000 -0.062 0.000 1.278 355 A HN 0.057 nan 8.150 nan 0.000 0.416 356 I N 1.736 122.284 120.570 -0.037 0.000 2.468 356 I HA 0.377 4.547 4.170 -0.000 0.000 0.285 356 I C -0.669 175.486 176.117 0.063 0.000 1.039 356 I CA -0.311 60.953 61.300 -0.061 0.000 1.074 356 I CB 1.535 39.395 38.000 -0.234 0.000 1.228 356 I HN 0.507 nan 8.210 nan 0.000 0.436 357 L N 4.534 125.757 121.223 0.000 0.000 2.387 357 L HA 0.401 4.741 4.340 -0.000 0.000 0.266 357 L C 0.319 177.247 176.870 0.096 0.000 1.059 357 L CA -0.928 53.926 54.840 0.023 0.000 0.801 357 L CB 0.946 42.950 42.059 -0.091 0.000 1.223 357 L HN 0.633 nan 8.230 nan 0.000 0.456 358 D N 1.083 121.529 120.400 0.076 0.000 2.378 358 D HA -0.094 4.546 4.640 -0.000 0.000 0.238 358 D C 0.785 177.086 176.300 0.002 0.000 1.180 358 D CA -0.278 53.754 54.000 0.052 0.000 0.895 358 D CB 1.403 42.180 40.800 -0.037 0.000 1.192 358 D HN 0.645 nan 8.370 nan 0.000 0.438 359 M N 1.301 120.921 119.600 0.033 0.000 2.132 359 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 359 M C 1.619 177.986 176.300 0.112 0.000 1.065 359 M CA 1.528 56.864 55.300 0.060 0.000 1.122 359 M CB -0.157 32.531 32.600 0.147 0.000 1.365 359 M HN 0.500 nan 8.290 nan 0.000 0.411 360 T N 0.274 114.881 114.554 0.089 0.000 2.684 360 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 360 T C 1.822 176.536 174.700 0.024 0.000 1.036 360 T CA 1.909 64.058 62.100 0.083 0.000 1.148 360 T CB -0.440 68.447 68.868 0.031 0.000 0.863 360 T HN 0.461 nan 8.240 nan 0.000 0.436 361 S N 1.179 116.863 115.700 -0.027 0.000 2.399 361 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 361 S C 2.163 176.689 174.600 -0.123 0.000 1.022 361 S CA 1.113 59.278 58.200 -0.059 0.000 0.983 361 S CB -0.352 62.808 63.200 -0.068 0.000 0.803 361 S HN 0.413 nan 8.310 nan 0.000 0.480 362 Q N 0.600 120.267 119.800 -0.222 0.000 2.084 362 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 362 Q C 1.539 177.114 176.000 -0.709 0.000 0.978 362 Q CA 1.648 57.152 55.803 -0.499 0.000 0.844 362 Q CB -0.403 27.964 28.738 -0.617 0.000 0.898 362 Q HN 0.532 nan 8.270 nan 0.000 0.426 363 F N 0.570 120.280 119.950 -0.400 0.000 2.259 363 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 363 F C 1.830 177.344 175.800 -0.476 0.000 1.088 363 F CA 1.127 58.871 58.000 -0.426 0.000 1.358 363 F CB -0.250 38.535 39.000 -0.358 0.000 1.040 363 F HN 0.140 nan 8.300 nan 0.000 0.505 364 D N -0.073 120.255 120.400 -0.120 0.000 2.116 364 D HA -0.254 4.386 4.640 -0.000 0.000 0.193 364 D C 2.120 178.448 176.300 0.048 0.000 0.998 364 D CA 1.379 55.356 54.000 -0.038 0.000 0.836 364 D CB -0.836 39.971 40.800 0.011 0.000 0.951 364 D HN 0.243 nan 8.370 nan 0.000 0.449 365 F N 0.941 120.821 119.950 -0.116 0.000 2.095 365 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 365 F C 2.190 178.051 175.800 0.102 0.000 1.104 365 F CA 1.354 59.324 58.000 -0.050 0.000 1.232 365 F CB -0.446 38.472 39.000 -0.136 0.000 0.987 365 F HN -0.073 nan 8.300 nan 0.000 0.475 366 Y N 0.221 120.482 120.300 -0.066 0.000 2.181 366 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 366 Y C 2.810 178.727 175.900 0.029 0.000 1.146 366 Y CA 1.579 59.621 58.100 -0.097 0.000 1.164 366 Y CB -1.689 36.790 38.460 0.032 0.000 0.982 366 Y HN 0.335 nan 8.280 nan 0.000 0.515 367 H N -1.713 117.463 119.070 0.178 0.000 2.387 367 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 367 H C 2.079 177.426 175.328 0.031 0.000 1.090 367 H CA 0.503 56.617 56.048 0.110 0.000 1.332 367 H CB -0.222 29.607 29.762 0.112 0.000 1.386 367 H HN 0.338 nan 8.280 nan 0.000 0.516 368 G N -0.486 108.380 108.800 0.110 0.000 3.124 368 G HA2 0.199 4.159 3.960 -0.000 0.000 0.212 368 G HA3 0.199 4.159 3.960 -0.000 0.000 0.212 368 G C 0.999 175.860 174.900 -0.065 0.000 1.181 368 G CA 0.365 45.476 45.100 0.019 0.000 0.803 368 G HN 0.577 nan 8.290 nan 0.000 0.529 369 G N -0.970 107.777 108.800 -0.088 0.000 2.160 369 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.244 369 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.244 369 G C 1.217 175.962 174.900 -0.259 0.000 1.022 369 G CA 0.365 45.387 45.100 -0.131 0.000 0.741 369 G HN 0.959 nan 8.290 nan 0.000 0.508 370 G N -0.425 108.045 108.800 -0.549 0.000 2.443 370 G HA2 0.192 4.152 3.960 -0.000 0.000 0.219 370 G HA3 0.192 4.152 3.960 -0.000 0.000 0.219 370 G C 0.941 175.566 174.900 -0.459 0.000 1.131 370 G CA 0.569 45.052 45.100 -1.029 0.000 0.775 370 G HN 0.672 nan 8.290 nan 0.000 0.547 371 L N 1.595 122.651 121.223 -0.279 0.000 2.361 371 L HA 0.186 4.526 4.340 -0.000 0.000 0.278 371 L C 0.642 177.444 176.870 -0.113 0.000 1.113 371 L CA -0.668 54.106 54.840 -0.110 0.000 0.849 371 L CB 1.130 43.066 42.059 -0.206 0.000 1.155 371 L HN 0.059 nan 8.230 nan 0.000 0.452 372 D N 2.146 122.513 120.400 -0.055 0.000 2.149 372 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 372 D C 0.278 176.494 176.300 -0.140 0.000 0.972 372 D CA 1.245 55.202 54.000 -0.071 0.000 0.835 372 D CB 0.491 41.277 40.800 -0.022 0.000 0.966 372 D HN 0.221 nan 8.370 nan 0.000 0.476 373 V N 1.164 120.968 119.914 -0.183 0.000 2.623 373 V HA 0.289 4.409 4.120 -0.000 0.000 0.304 373 V C -0.105 175.732 176.094 -0.427 0.000 1.054 373 V CA -1.199 60.895 62.300 -0.344 0.000 0.882 373 V CB 2.215 33.801 31.823 -0.395 0.000 1.002 373 V HN 0.302 nan 8.190 nan 0.000 0.424 374 C N 3.667 122.641 119.300 -0.543 0.000 2.455 374 C HA 0.870 5.330 4.460 -0.000 0.000 0.320 374 C C -1.139 173.466 174.990 -0.642 0.000 1.226 374 C CA -0.793 57.918 59.018 -0.512 0.000 1.569 374 C CB 0.746 28.235 27.740 -0.418 0.000 2.200 374 C HN 0.759 nan 8.230 nan 0.000 0.491 375 Y N 3.104 123.272 120.300 -0.221 0.000 2.328 375 Y HA 0.775 5.325 4.550 -0.000 0.000 0.337 375 Y C 0.200 176.014 175.900 -0.144 0.000 0.966 375 Y CA -0.669 57.322 58.100 -0.182 0.000 1.136 375 Y CB 1.193 39.591 38.460 -0.103 0.000 1.170 375 Y HN 0.656 nan 8.280 nan 0.000 0.470 376 L N 2.005 123.225 121.223 -0.005 0.000 2.409 376 L HA 0.563 4.903 4.340 -0.000 0.000 0.262 376 L C -0.289 176.781 176.870 0.334 0.000 0.992 376 L CA -0.845 54.069 54.840 0.122 0.000 0.817 376 L CB 2.497 44.530 42.059 -0.043 0.000 1.350 376 L HN 0.510 nan 8.230 nan 0.000 0.411 377 S N 1.059 116.978 115.700 0.365 0.000 2.645 377 S HA 0.683 5.153 4.470 -0.000 0.000 0.266 377 S C -0.755 174.102 174.600 0.428 0.000 1.258 377 S CA -0.391 57.970 58.200 0.268 0.000 0.990 377 S CB 0.992 64.258 63.200 0.110 0.000 0.967 377 S HN 0.389 nan 8.310 nan 0.000 0.556 378 F N -1.751 118.288 119.950 0.148 0.000 2.588 378 F HA 0.839 5.366 4.527 -0.000 0.000 0.310 378 F C 0.249 175.932 175.800 -0.195 0.000 1.082 378 F CA -1.279 56.712 58.000 -0.016 0.000 0.929 378 F CB 1.025 39.976 39.000 -0.082 0.000 1.254 378 F HN 0.530 nan 8.300 nan 0.000 0.455 379 A N 1.220 123.936 122.820 -0.174 0.000 1.942 379 A HA 0.387 4.707 4.320 -0.000 0.000 0.209 379 A C 0.131 177.607 177.584 -0.180 0.000 1.214 379 A CA 0.504 52.256 52.037 -0.475 0.000 0.686 379 A CB -0.167 18.163 19.000 -1.116 0.000 0.871 379 A HN 0.814 nan 8.150 nan 0.000 0.460 380 E N -0.994 119.151 120.200 -0.091 0.000 2.331 380 E HA 0.553 4.903 4.350 -0.000 0.000 0.275 380 E C -1.908 174.515 176.600 -0.296 0.000 0.895 380 E CA -0.658 55.653 56.400 -0.148 0.000 0.753 380 E CB 2.696 32.324 29.700 -0.120 0.000 1.216 380 E HN 0.015 nan 8.360 nan 0.000 0.434 381 V N 2.108 121.684 119.914 -0.563 0.000 2.656 381 V HA 0.302 4.422 4.120 -0.000 0.000 0.307 381 V C -0.488 175.382 176.094 -0.373 0.000 1.051 381 V CA -0.804 61.087 62.300 -0.682 0.000 0.893 381 V CB 1.825 32.800 31.823 -1.412 0.000 0.999 381 V HN 0.795 nan 8.190 nan 0.000 0.426 382 D N 2.257 122.489 120.400 -0.280 0.000 2.569 382 D HA 0.225 4.865 4.640 -0.000 0.000 0.266 382 D C 0.998 176.847 176.300 -0.753 0.000 1.164 382 D CA -0.547 53.283 54.000 -0.283 0.000 1.071 382 D CB 0.822 41.528 40.800 -0.157 0.000 1.183 382 D HN 0.543 nan 8.370 nan 0.000 0.613 383 Q N -1.102 118.002 119.800 -1.160 0.000 2.364 383 Q HA -0.164 4.176 4.340 -0.000 0.000 0.207 383 Q C 0.643 176.047 176.000 -0.993 0.000 0.970 383 Q CA 1.163 55.912 55.803 -1.757 0.000 0.888 383 Q CB -0.411 27.569 28.738 -1.263 0.000 0.951 383 Q HN 0.510 nan 8.270 nan 0.000 0.469 384 H N -0.266 118.562 119.070 -0.404 0.000 2.539 384 H HA 0.219 4.775 4.556 -0.000 0.000 0.267 384 H C 1.171 176.426 175.328 -0.121 0.000 0.982 384 H CA 0.667 56.592 56.048 -0.205 0.000 1.146 384 H CB 0.825 30.504 29.762 -0.138 0.000 1.382 384 H HN 0.572 nan 8.280 nan 0.000 0.577 385 G N 1.423 110.152 108.800 -0.118 0.000 2.162 385 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 385 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 385 G C 0.126 175.156 174.900 0.217 0.000 0.976 385 G CA -0.045 45.081 45.100 0.044 0.000 0.655 385 G HN 0.316 nan 8.290 nan 0.000 0.533 386 N N -0.240 118.521 118.700 0.102 0.000 2.479 386 N HA 0.417 5.156 4.740 -0.000 0.000 0.257 386 N C 0.154 175.720 175.510 0.093 0.000 1.232 386 N CA 0.298 53.440 53.050 0.153 0.000 0.920 386 N CB 1.617 40.151 38.487 0.079 0.000 1.105 386 N HN 0.183 nan 8.380 nan 0.000 0.444 387 V N -0.218 119.819 119.914 0.205 0.000 2.680 387 V HA 0.693 4.813 4.120 -0.000 0.000 0.309 387 V C 0.524 176.670 176.094 0.087 0.000 1.052 387 V CA -0.918 61.382 62.300 0.001 0.000 0.908 387 V CB 1.967 33.623 31.823 -0.278 0.000 1.001 387 V HN 0.754 nan 8.190 nan 0.000 0.431 388 G N 1.396 110.178 108.800 -0.030 0.000 2.470 388 G HA2 0.577 4.537 3.960 -0.000 0.000 0.320 388 G HA3 0.577 4.537 3.960 -0.000 0.000 0.320 388 G C 0.130 174.949 174.900 -0.134 0.000 1.245 388 G CA 0.083 45.155 45.100 -0.046 0.000 0.935 388 G HN 1.074 nan 8.290 nan 0.000 0.476 389 V N -0.400 119.405 119.914 -0.182 0.000 3.332 389 V HA 0.196 4.316 4.120 -0.000 0.000 0.263 389 V C 1.550 177.672 176.094 0.046 0.000 1.562 389 V CA 0.984 63.211 62.300 -0.123 0.000 1.040 389 V CB -0.480 31.138 31.823 -0.341 0.000 0.857 389 V HN 0.820 nan 8.190 nan 0.000 0.428 390 H N 1.572 120.558 119.070 -0.139 0.000 2.470 390 H HA 0.276 4.832 4.556 -0.000 0.000 0.289 390 H C 0.331 175.512 175.328 -0.245 0.000 1.033 390 H CA 0.706 56.636 56.048 -0.197 0.000 1.331 390 H CB 0.357 29.892 29.762 -0.378 0.000 1.414 390 H HN 0.451 nan 8.280 nan 0.000 0.545 391 K N 0.368 120.333 120.400 -0.725 0.000 2.513 391 K HA 0.410 4.730 4.320 -0.000 0.000 0.251 391 K C -1.664 174.800 176.600 -0.227 0.000 0.939 391 K CA -0.676 55.283 56.287 -0.546 0.000 0.793 391 K CB 2.578 34.682 32.500 -0.660 0.000 1.241 391 K HN 0.181 nan 8.250 nan 0.000 0.431 392 F N -0.575 119.222 119.950 -0.255 0.000 2.741 392 F HA 0.358 4.885 4.527 -0.000 0.000 0.311 392 F C -0.087 175.639 175.800 -0.124 0.000 1.149 392 F CA -1.210 56.685 58.000 -0.176 0.000 0.930 392 F CB 0.700 39.615 39.000 -0.141 0.000 1.312 392 F HN 0.530 nan 8.300 nan 0.000 0.450 393 N N 1.031 119.785 118.700 0.091 0.000 2.710 393 N HA -0.115 4.624 4.740 -0.000 0.000 0.249 393 N C 0.960 176.405 175.510 -0.108 0.000 1.059 393 N CA 2.064 55.122 53.050 0.013 0.000 0.720 393 N CB -1.117 37.429 38.487 0.098 0.000 0.983 393 N HN 2.087 nan 8.380 nan 0.000 0.544 394 G N -1.851 106.873 108.800 -0.126 0.000 2.168 394 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.263 394 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.263 394 G C -0.126 174.659 174.900 -0.192 0.000 0.977 394 G CA 0.992 46.009 45.100 -0.138 0.000 0.659 394 G HN 0.536 nan 8.290 nan 0.000 0.533 395 K N -0.226 120.000 120.400 -0.290 0.000 2.328 395 K HA 0.673 4.993 4.320 -0.000 0.000 0.246 395 K C 0.058 176.433 176.600 -0.376 0.000 0.955 395 K CA -1.049 55.047 56.287 -0.320 0.000 0.817 395 K CB 1.939 34.221 32.500 -0.363 0.000 1.208 395 K HN 0.175 nan 8.250 nan 0.000 0.432 396 I N 2.825 123.218 120.570 -0.296 0.000 2.304 396 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 396 I C 1.164 177.145 176.117 -0.227 0.000 1.018 396 I CA -0.270 60.849 61.300 -0.301 0.000 1.260 396 I CB 1.107 38.909 38.000 -0.330 0.000 1.390 396 I HN 0.541 nan 8.210 nan 0.000 0.475 397 M N 5.291 124.744 119.600 -0.245 0.000 2.657 397 M HA 0.395 4.875 4.480 -0.000 0.000 0.262 397 M C 0.794 176.990 176.300 -0.173 0.000 1.213 397 M CA 0.896 56.091 55.300 -0.175 0.000 1.182 397 M CB 0.206 32.748 32.600 -0.097 0.000 1.303 397 M HN 0.682 nan 8.290 nan 0.000 0.501 398 G N -0.590 108.176 108.800 -0.055 0.000 2.760 398 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 398 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 398 G C 0.305 175.329 174.900 0.206 0.000 1.359 398 G CA 0.386 45.557 45.100 0.118 0.000 0.861 398 G HN 0.704 nan 8.290 nan 0.000 0.541 399 T N -1.955 112.818 114.554 0.364 0.000 3.010 399 T HA 0.471 4.821 4.350 -0.000 0.000 0.252 399 T C 2.662 177.676 174.700 0.524 0.000 1.047 399 T CA 1.700 64.057 62.100 0.428 0.000 1.140 399 T CB -0.342 68.806 68.868 0.468 0.000 0.885 399 T HN 2.831 nan 8.240 nan 0.000 0.464 400 G N 1.148 110.286 108.800 0.562 0.000 2.582 400 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.288 400 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.288 400 G C 0.907 176.047 174.900 0.399 0.000 1.247 400 G CA 0.128 45.508 45.100 0.466 0.000 0.972 400 G HN 1.165 nan 8.290 nan 0.000 0.557 401 G N -0.595 108.467 108.800 0.436 0.000 3.088 401 G HA2 0.368 4.327 3.960 -0.000 0.000 0.212 401 G HA3 0.368 4.327 3.960 -0.000 0.000 0.212 401 G C 1.280 176.462 174.900 0.470 0.000 1.173 401 G CA 1.045 46.456 45.100 0.518 0.000 0.779 401 G HN 0.701 nan 8.290 nan 0.000 0.540 402 F N 1.339 121.477 119.950 0.313 0.000 2.063 402 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 402 F C 2.342 178.312 175.800 0.284 0.000 1.109 402 F CA 1.698 59.871 58.000 0.288 0.000 1.212 402 F CB 0.058 39.250 39.000 0.320 0.000 0.973 402 F HN 0.144 nan 8.300 nan 0.000 0.480 403 I N 0.103 120.989 120.570 0.527 0.000 2.315 403 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 403 I C 1.921 178.175 176.117 0.230 0.000 1.117 403 I CA 1.412 62.930 61.300 0.363 0.000 1.404 403 I CB -0.717 37.482 38.000 0.331 0.000 1.071 403 I HN 0.184 nan 8.210 nan 0.000 0.419 404 D N 1.059 121.637 120.400 0.296 0.000 2.182 404 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 404 D C 2.144 178.653 176.300 0.349 0.000 0.986 404 D CA 1.519 55.771 54.000 0.421 0.000 0.847 404 D CB 0.091 41.298 40.800 0.679 0.000 0.942 404 D HN 0.414 nan 8.370 nan 0.000 0.467 405 I N 0.650 121.321 120.570 0.168 0.000 2.731 405 I HA -0.142 4.028 4.170 -0.000 0.000 0.260 405 I C 2.327 178.351 176.117 -0.156 0.000 1.138 405 I CA 0.436 61.688 61.300 -0.079 0.000 1.461 405 I CB 0.146 38.029 38.000 -0.195 0.000 1.128 405 I HN -0.103 nan 8.210 nan 0.000 0.438 406 S N 0.831 116.430 115.700 -0.167 0.000 2.562 406 S HA 0.174 4.644 4.470 -0.000 0.000 0.221 406 S C 1.947 176.629 174.600 0.136 0.000 0.975 406 S CA 0.418 58.528 58.200 -0.150 0.000 0.918 406 S CB -0.067 62.947 63.200 -0.311 0.000 0.772 406 S HN 0.300 nan 8.310 nan 0.000 0.531 407 A N 2.189 125.071 122.820 0.103 0.000 1.898 407 A HA 0.103 4.423 4.320 -0.000 0.000 0.214 407 A C 2.296 179.913 177.584 0.056 0.000 1.183 407 A CA 1.607 53.702 52.037 0.098 0.000 0.622 407 A CB -0.753 18.281 19.000 0.056 0.000 0.824 407 A HN 0.769 nan 8.150 nan 0.000 0.444 408 T N -4.374 110.195 114.554 0.025 0.000 3.130 408 T HA 0.267 4.617 4.350 -0.000 0.000 0.288 408 T C 0.387 175.061 174.700 -0.042 0.000 0.936 408 T CA 0.416 62.516 62.100 0.000 0.000 0.897 408 T CB -0.219 68.654 68.868 0.009 0.000 1.178 408 T HN 0.094 nan 8.240 nan 0.000 0.543 409 S N 2.474 118.125 115.700 -0.081 0.000 2.568 409 S HA 0.260 4.729 4.470 -0.000 0.000 0.282 409 S C 1.074 175.599 174.600 -0.125 0.000 1.338 409 S CA -0.592 57.524 58.200 -0.140 0.000 1.045 409 S CB 1.064 64.132 63.200 -0.220 0.000 0.873 409 S HN 0.181 nan 8.310 nan 0.000 0.516 410 K N 1.638 121.963 120.400 -0.125 0.000 2.057 410 K HA 0.063 4.382 4.320 -0.000 0.000 0.206 410 K C 0.138 176.670 176.600 -0.114 0.000 1.050 410 K CA 1.444 57.672 56.287 -0.097 0.000 0.935 410 K CB 0.030 32.481 32.500 -0.082 0.000 0.715 410 K HN 0.463 nan 8.250 nan 0.000 0.439 411 K N 0.339 120.636 120.400 -0.172 0.000 2.463 411 K HA 0.403 4.723 4.320 -0.000 0.000 0.255 411 K C -0.874 175.530 176.600 -0.327 0.000 0.942 411 K CA -0.247 55.913 56.287 -0.211 0.000 0.814 411 K CB 2.010 34.386 32.500 -0.207 0.000 1.122 411 K HN -0.117 nan 8.250 nan 0.000 0.425 412 I N 4.681 125.034 120.570 -0.361 0.000 2.328 412 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 412 I C -0.488 175.203 176.117 -0.710 0.000 1.012 412 I CA -0.789 60.152 61.300 -0.598 0.000 1.195 412 I CB 0.900 38.526 38.000 -0.623 0.000 1.350 412 I HN 0.346 nan 8.210 nan 0.000 0.464 413 I N 7.106 127.236 120.570 -0.734 0.000 2.371 413 I HA 0.309 4.479 4.170 -0.000 0.000 0.282 413 I C -0.342 175.520 176.117 -0.425 0.000 1.031 413 I CA -0.536 60.475 61.300 -0.481 0.000 1.180 413 I CB 0.222 38.010 38.000 -0.354 0.000 1.336 413 I HN 0.287 nan 8.210 nan 0.000 0.467 414 F N 4.650 124.516 119.950 -0.140 0.000 2.412 414 F HA 0.374 4.901 4.527 -0.000 0.000 0.348 414 F C 0.674 176.670 175.800 0.326 0.000 1.102 414 F CA -0.161 57.896 58.000 0.095 0.000 1.196 414 F CB 0.970 40.005 39.000 0.059 0.000 1.144 414 F HN 0.331 nan 8.300 nan 0.000 0.541 415 C N 2.140 121.766 119.300 0.543 0.000 2.441 415 C HA 0.953 5.413 4.460 -0.000 0.000 0.318 415 C C 0.334 175.382 174.990 0.097 0.000 1.222 415 C CA -0.847 58.374 59.018 0.339 0.000 1.474 415 C CB 0.735 28.581 27.740 0.176 0.000 2.125 415 C HN 1.101 nan 8.230 nan 0.000 0.479 416 G N 1.592 110.399 108.800 0.011 0.000 2.328 416 G HA2 0.579 4.539 3.960 -0.000 0.000 0.295 416 G HA3 0.579 4.539 3.960 -0.000 0.000 0.295 416 G C -0.789 174.051 174.900 -0.099 0.000 1.413 416 G CA -0.148 44.711 45.100 -0.402 0.000 0.817 416 G HN 0.819 nan 8.290 nan 0.000 0.546 417 T N -1.029 113.451 114.554 -0.123 0.000 2.913 417 T HA 0.462 4.812 4.350 -0.000 0.000 0.287 417 T C 1.527 176.362 174.700 0.224 0.000 1.008 417 T CA -0.203 61.934 62.100 0.063 0.000 1.067 417 T CB 1.765 70.644 68.868 0.018 0.000 0.996 417 T HN 0.815 nan 8.240 nan 0.000 0.513 418 L N 1.465 122.857 121.223 0.283 0.000 2.201 418 L HA 0.123 4.463 4.340 -0.000 0.000 0.212 418 L C 1.171 178.226 176.870 0.308 0.000 1.105 418 L CA 1.155 56.219 54.840 0.373 0.000 0.775 418 L CB -0.249 41.912 42.059 0.170 0.000 0.913 418 L HN 1.079 nan 8.230 nan 0.000 0.440 419 T N -3.304 111.351 114.554 0.169 0.000 2.916 419 T HA 0.809 5.159 4.350 -0.000 0.000 0.292 419 T C -0.435 174.303 174.700 0.063 0.000 1.064 419 T CA -0.389 61.780 62.100 0.115 0.000 1.011 419 T CB 2.045 70.957 68.868 0.072 0.000 1.152 419 T HN 0.107 nan 8.240 nan 0.000 0.510 420 A N -0.483 122.361 122.820 0.040 0.000 2.387 420 A HA 0.968 5.288 4.320 -0.000 0.000 0.298 420 A C 0.670 178.266 177.584 0.019 0.000 1.165 420 A CA -0.576 51.467 52.037 0.009 0.000 0.814 420 A CB 0.545 19.535 19.000 -0.017 0.000 1.357 420 A HN 2.508 nan 8.150 nan 0.000 0.443 421 G N 0.221 109.031 108.800 0.018 0.000 2.756 421 G HA2 0.234 4.194 3.960 -0.000 0.000 0.272 421 G HA3 0.234 4.194 3.960 -0.000 0.000 0.272 421 G C 0.398 175.309 174.900 0.019 0.000 1.128 421 G CA 0.777 45.891 45.100 0.023 0.000 1.145 421 G HN 2.666 nan 8.290 nan 0.000 0.545 422 S N -2.979 112.731 115.700 0.017 0.000 3.608 422 S HA -0.200 4.270 4.470 -0.000 0.000 0.382 422 S C 0.360 174.968 174.600 0.014 0.000 0.945 422 S CA 0.982 59.190 58.200 0.014 0.000 1.256 422 S CB -1.676 61.532 63.200 0.015 0.000 0.913 422 S HN 2.206 nan 8.310 nan 0.000 0.518 423 L N 1.348 122.579 121.223 0.014 0.000 2.410 423 L HA 0.586 4.926 4.340 -0.000 0.000 0.273 423 L C 0.005 176.883 176.870 0.014 0.000 1.152 423 L CA 0.458 55.308 54.840 0.016 0.000 0.855 423 L CB 0.507 42.578 42.059 0.020 0.000 1.129 423 L HN 0.344 nan 8.230 nan 0.000 0.463 424 K N 4.138 124.547 120.400 0.015 0.000 2.323 424 K HA 0.587 4.907 4.320 -0.000 0.000 0.259 424 K C -0.567 176.043 176.600 0.017 0.000 0.947 424 K CA -0.455 55.840 56.287 0.014 0.000 0.819 424 K CB 1.768 34.275 32.500 0.012 0.000 1.109 424 K HN 0.804 nan 8.250 nan 0.000 0.429 425 T N -1.312 113.254 114.554 0.020 0.000 2.906 425 T HA 0.475 4.825 4.350 -0.000 0.000 0.295 425 T C -0.724 173.992 174.700 0.027 0.000 1.075 425 T CA -0.875 61.241 62.100 0.026 0.000 1.005 425 T CB 2.515 71.406 68.868 0.039 0.000 1.136 425 T HN 0.481 nan 8.240 nan 0.000 0.498 426 E N 0.936 121.155 120.200 0.031 0.000 2.238 426 E HA 0.541 4.891 4.350 -0.000 0.000 0.267 426 E C -1.192 175.439 176.600 0.052 0.000 0.887 426 E CA -0.995 55.424 56.400 0.032 0.000 0.769 426 E CB 1.606 31.319 29.700 0.023 0.000 1.187 426 E HN 0.659 nan 8.360 nan 0.000 0.416 427 I N 3.295 123.902 120.570 0.061 0.000 2.306 427 I HA 0.450 4.620 4.170 -0.000 0.000 0.288 427 I C -0.461 175.701 176.117 0.074 0.000 1.036 427 I CA -0.255 61.105 61.300 0.099 0.000 1.221 427 I CB 1.245 39.315 38.000 0.117 0.000 1.385 427 I HN 0.444 nan 8.210 nan 0.000 0.472 428 A N 4.549 127.407 122.820 0.063 0.000 2.427 428 A HA 0.517 4.837 4.320 -0.000 0.000 0.298 428 A C -0.289 177.313 177.584 0.030 0.000 1.036 428 A CA -0.449 51.612 52.037 0.040 0.000 0.701 428 A CB 0.996 20.010 19.000 0.024 0.000 1.250 428 A HN 0.774 nan 8.150 nan 0.000 0.412 429 D N 1.463 121.881 120.400 0.030 0.000 2.835 429 D HA -0.181 4.459 4.640 -0.000 0.000 0.230 429 D C 1.022 177.332 176.300 0.018 0.000 1.130 429 D CA 2.237 56.249 54.000 0.019 0.000 0.738 429 D CB -1.282 39.520 40.800 0.002 0.000 1.090 429 D HN 2.190 nan 8.370 nan 0.000 0.433 430 G N -0.042 108.791 108.800 0.056 0.000 2.203 430 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.263 430 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.263 430 G C 0.246 175.124 174.900 -0.038 0.000 1.012 430 G CA 1.267 46.415 45.100 0.080 0.000 0.749 430 G HN 0.506 nan 8.290 nan 0.000 0.512 431 K N -1.391 118.977 120.400 -0.054 0.000 2.444 431 K HA 0.701 5.021 4.320 -0.000 0.000 0.252 431 K C -0.824 175.733 176.600 -0.072 0.000 0.993 431 K CA -1.207 54.954 56.287 -0.209 0.000 0.847 431 K CB 2.111 34.526 32.500 -0.142 0.000 1.340 431 K HN 0.105 nan 8.250 nan 0.000 0.446 432 L N 1.587 122.727 121.223 -0.138 0.000 2.275 432 L HA 0.330 4.670 4.340 -0.000 0.000 0.288 432 L C -1.280 175.587 176.870 -0.005 0.000 1.046 432 L CA 0.127 54.988 54.840 0.035 0.000 0.805 432 L CB 0.618 42.739 42.059 0.103 0.000 1.193 432 L HN 0.525 nan 8.230 nan 0.000 0.426 433 N N 5.741 124.453 118.700 0.020 0.000 2.518 433 N HA 0.420 5.160 4.740 -0.000 0.000 0.254 433 N C -0.989 174.530 175.510 0.015 0.000 0.979 433 N CA -0.432 52.621 53.050 0.006 0.000 0.930 433 N CB 1.168 39.657 38.487 0.004 0.000 1.152 433 N HN 0.519 nan 8.380 nan 0.000 0.505 434 I N 2.800 123.376 120.570 0.009 0.000 2.471 434 I HA -0.048 4.122 4.170 -0.000 0.000 0.294 434 I C 1.598 177.720 176.117 0.008 0.000 1.123 434 I CA -0.253 61.054 61.300 0.012 0.000 1.336 434 I CB 0.204 38.210 38.000 0.010 0.000 1.430 434 I HN 0.504 nan 8.210 nan 0.000 0.533 435 V N 2.277 122.197 119.914 0.010 0.000 2.725 435 V HA 0.034 4.154 4.120 -0.000 0.000 0.247 435 V C 0.816 176.914 176.094 0.007 0.000 1.058 435 V CA 0.660 62.965 62.300 0.008 0.000 1.080 435 V CB -0.310 31.519 31.823 0.009 0.000 0.713 435 V HN 0.841 nan 8.190 nan 0.000 0.465 436 Q N 0.905 120.711 119.800 0.010 0.000 2.589 436 Q HA 0.305 4.645 4.340 -0.000 0.000 0.245 436 Q C -0.769 175.238 176.000 0.012 0.000 0.931 436 Q CA -0.493 55.316 55.803 0.009 0.000 0.730 436 Q CB 1.539 30.283 28.738 0.009 0.000 1.315 436 Q HN 0.564 nan 8.270 nan 0.000 0.469 437 E N 1.624 121.830 120.200 0.010 0.000 2.481 437 E HA 0.142 4.492 4.350 -0.000 0.000 0.263 437 E C -0.060 176.549 176.600 0.016 0.000 0.992 437 E CA 0.757 57.165 56.400 0.013 0.000 0.938 437 E CB 0.665 30.370 29.700 0.009 0.000 0.933 437 E HN 0.650 nan 8.360 nan 0.000 0.453 438 G N 3.654 112.466 108.800 0.021 0.000 2.441 438 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.243 438 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.243 438 G C 0.417 175.330 174.900 0.022 0.000 1.281 438 G CA -0.368 44.746 45.100 0.023 0.000 0.854 438 G HN 0.671 nan 8.290 nan 0.000 0.560 439 R N 0.154 120.667 120.500 0.021 0.000 2.148 439 R HA 0.005 4.345 4.340 -0.000 0.000 0.227 439 R C 0.409 176.723 176.300 0.023 0.000 1.103 439 R CA 0.533 56.645 56.100 0.019 0.000 0.983 439 R CB 0.034 30.345 30.300 0.018 0.000 0.874 439 R HN 0.321 nan 8.270 nan 0.000 0.451 440 V N 1.663 121.594 119.914 0.028 0.000 2.495 440 V HA 0.187 4.307 4.120 -0.000 0.000 0.298 440 V C -0.308 175.814 176.094 0.045 0.000 1.031 440 V CA -0.914 61.406 62.300 0.033 0.000 0.871 440 V CB 1.880 33.723 31.823 0.033 0.000 0.988 440 V HN 0.076 nan 8.190 nan 0.000 0.432 441 K N 3.431 123.859 120.400 0.047 0.000 2.339 441 K HA 0.303 4.623 4.320 -0.000 0.000 0.286 441 K C 0.468 177.118 176.600 0.083 0.000 1.050 441 K CA -0.196 56.133 56.287 0.071 0.000 0.956 441 K CB 1.203 33.734 32.500 0.051 0.000 0.990 441 K HN 0.545 nan 8.250 nan 0.000 0.475 442 K N 1.626 122.115 120.400 0.148 0.000 2.308 442 K HA 0.100 4.420 4.320 -0.000 0.000 0.197 442 K C -0.103 176.489 176.600 -0.014 0.000 1.049 442 K CA 0.393 56.737 56.287 0.095 0.000 0.991 442 K CB 0.326 32.943 32.500 0.195 0.000 0.836 442 K HN 0.373 nan 8.250 nan 0.000 0.500 443 F N 2.902 122.829 119.950 -0.037 0.000 2.462 443 F HA 0.245 4.772 4.527 -0.000 0.000 0.354 443 F C 0.525 176.330 175.800 0.008 0.000 1.192 443 F CA -0.966 56.989 58.000 -0.074 0.000 1.173 443 F CB 0.067 38.873 39.000 -0.323 0.000 1.402 443 F HN -0.046 nan 8.300 nan 0.000 0.595 444 I N -0.607 120.075 120.570 0.186 0.000 2.947 444 I HA 0.546 4.716 4.170 -0.000 0.000 0.314 444 I C 1.271 177.521 176.117 0.221 0.000 1.028 444 I CA -1.089 60.303 61.300 0.155 0.000 1.077 444 I CB 1.499 39.531 38.000 0.053 0.000 1.274 444 I HN 0.385 nan 8.210 nan 0.000 0.485 445 R N 0.309 120.892 120.500 0.137 0.000 2.066 445 R HA 0.101 4.441 4.340 -0.000 0.000 0.232 445 R C -0.062 176.204 176.300 -0.057 0.000 1.131 445 R CA 1.295 57.435 56.100 0.067 0.000 0.955 445 R CB 0.307 30.637 30.300 0.050 0.000 0.851 445 R HN 0.700 nan 8.270 nan 0.000 0.432 446 E N 0.353 120.548 120.200 -0.009 0.000 2.291 446 E HA 0.188 4.538 4.350 -0.000 0.000 0.276 446 E C -1.317 175.290 176.600 0.011 0.000 0.896 446 E CA -0.490 55.917 56.400 0.012 0.000 0.774 446 E CB 2.086 31.809 29.700 0.039 0.000 1.227 446 E HN 0.165 nan 8.360 nan 0.000 0.413 447 L N 4.820 126.053 121.223 0.017 0.000 2.410 447 L HA 0.124 4.464 4.340 -0.000 0.000 0.273 447 L C -0.830 176.047 176.870 0.012 0.000 1.144 447 L CA -1.134 53.710 54.840 0.006 0.000 0.863 447 L CB 0.292 42.361 42.059 0.016 0.000 1.140 447 L HN 0.309 nan 8.230 nan 0.000 0.463 448 P HA -0.093 nan 4.420 nan 0.000 0.217 448 P C -0.056 177.246 177.300 0.005 0.000 1.150 448 P CA 1.247 64.341 63.100 -0.009 0.000 0.832 448 P CB 0.466 32.146 31.700 -0.033 0.000 0.787 449 E N -0.624 119.579 120.200 0.004 0.000 2.275 449 E HA 0.435 4.785 4.350 -0.000 0.000 0.270 449 E C -0.688 176.029 176.600 0.195 0.000 0.882 449 E CA -0.704 55.751 56.400 0.091 0.000 0.758 449 E CB 2.141 31.869 29.700 0.048 0.000 1.195 449 E HN -0.007 nan 8.360 nan 0.000 0.419 450 I N 2.402 123.130 120.570 0.264 0.000 2.325 450 I HA 0.107 4.277 4.170 -0.000 0.000 0.291 450 I C 1.049 177.402 176.117 0.393 0.000 1.019 450 I CA 0.119 61.574 61.300 0.257 0.000 1.302 450 I CB 1.313 39.406 38.000 0.155 0.000 1.401 450 I HN 0.586 nan 8.210 nan 0.000 0.485 451 T N 5.066 119.859 114.554 0.400 0.000 3.031 451 T HA 0.105 4.455 4.350 -0.000 0.000 0.254 451 T C -0.035 175.048 174.700 0.638 0.000 1.060 451 T CA 0.558 62.946 62.100 0.478 0.000 1.135 451 T CB 0.090 69.105 68.868 0.246 0.000 0.896 451 T HN 0.417 nan 8.240 nan 0.000 0.472 452 F N 1.656 121.858 119.950 0.420 0.000 2.547 452 F HA 0.632 5.159 4.527 -0.000 0.000 0.316 452 F C -0.716 175.213 175.800 0.215 0.000 1.121 452 F CA -1.252 56.979 58.000 0.384 0.000 0.911 452 F CB 1.918 41.237 39.000 0.532 0.000 1.179 452 F HN -0.155 nan 8.300 nan 0.000 0.443 453 S N 3.966 119.302 115.700 -0.607 0.000 2.438 453 S HA 0.428 4.898 4.470 -0.000 0.000 0.293 453 S C 1.036 175.158 174.600 -0.797 0.000 1.141 453 S CA 0.075 57.973 58.200 -0.503 0.000 1.080 453 S CB 0.903 63.932 63.200 -0.284 0.000 0.978 453 S HN 1.065 nan 8.310 nan 0.000 0.479 454 G N 4.457 113.052 108.800 -0.340 0.000 2.418 454 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.217 454 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.217 454 G C 1.335 176.184 174.900 -0.085 0.000 1.158 454 G CA 0.763 45.815 45.100 -0.081 0.000 0.771 454 G HN 0.720 nan 8.290 nan 0.000 0.545 455 K N 0.041 120.379 120.400 -0.104 0.000 2.032 455 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 455 K C 2.419 178.958 176.600 -0.102 0.000 1.048 455 K CA 1.132 57.369 56.287 -0.084 0.000 0.927 455 K CB -0.203 32.236 32.500 -0.101 0.000 0.712 455 K HN 0.204 nan 8.250 nan 0.000 0.441 456 I N 1.452 121.925 120.570 -0.161 0.000 2.226 456 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 456 I C 2.597 178.647 176.117 -0.113 0.000 1.100 456 I CA 1.388 62.602 61.300 -0.143 0.000 1.374 456 I CB -1.602 36.298 38.000 -0.168 0.000 1.057 456 I HN 0.224 nan 8.210 nan 0.000 0.413 457 A N 1.152 123.882 122.820 -0.151 0.000 1.883 457 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 457 A C 2.417 180.018 177.584 0.028 0.000 1.186 457 A CA 1.458 53.490 52.037 -0.007 0.000 0.624 457 A CB -0.896 18.199 19.000 0.158 0.000 0.822 457 A HN 0.405 nan 8.150 nan 0.000 0.444 458 L N -0.876 120.360 121.223 0.021 0.000 2.017 458 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 458 L C 2.616 179.486 176.870 0.001 0.000 1.073 458 L CA 1.771 56.625 54.840 0.024 0.000 0.745 458 L CB -0.731 41.345 42.059 0.030 0.000 0.894 458 L HN 0.470 nan 8.230 nan 0.000 0.432 459 E N 0.088 120.276 120.200 -0.020 0.000 2.085 459 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 459 E C 2.232 178.820 176.600 -0.021 0.000 0.994 459 E CA 1.186 57.569 56.400 -0.027 0.000 0.801 459 E CB -0.056 29.617 29.700 -0.046 0.000 0.743 459 E HN 0.397 nan 8.360 nan 0.000 0.453 460 R N -0.832 119.656 120.500 -0.019 0.000 2.299 460 R HA 0.025 4.365 4.340 -0.000 0.000 0.197 460 R C 1.001 177.299 176.300 -0.003 0.000 0.971 460 R CA 0.523 56.615 56.100 -0.013 0.000 1.030 460 R CB 0.411 30.704 30.300 -0.011 0.000 0.932 460 R HN 0.270 nan 8.270 nan 0.000 0.477 461 G N 0.932 109.734 108.800 0.002 0.000 2.132 461 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.228 461 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.228 461 G C -0.040 174.863 174.900 0.006 0.000 1.000 461 G CA -0.325 44.777 45.100 0.004 0.000 0.693 461 G HN 0.129 nan 8.290 nan 0.000 0.515 462 L N 0.186 121.420 121.223 0.018 0.000 2.357 462 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 462 L C 0.157 177.037 176.870 0.017 0.000 1.080 462 L CA -0.886 53.963 54.840 0.014 0.000 0.803 462 L CB 1.118 43.200 42.059 0.038 0.000 1.174 462 L HN 0.128 nan 8.230 nan 0.000 0.443 463 D N 1.877 122.266 120.400 -0.018 0.000 2.359 463 D HA 0.353 4.992 4.640 -0.000 0.000 0.230 463 D C -0.966 175.301 176.300 -0.055 0.000 1.118 463 D CA -0.192 53.794 54.000 -0.023 0.000 0.844 463 D CB 1.294 42.072 40.800 -0.038 0.000 1.059 463 D HN 0.086 nan 8.370 nan 0.000 0.493 464 V N 4.838 124.743 119.914 -0.014 0.000 2.357 464 V HA 0.493 4.613 4.120 -0.000 0.000 0.284 464 V C 0.296 176.327 176.094 -0.106 0.000 1.018 464 V CA -0.875 61.375 62.300 -0.083 0.000 0.841 464 V CB 1.312 33.180 31.823 0.074 0.000 0.991 464 V HN 0.404 nan 8.190 nan 0.000 0.437 465 R N 3.217 123.581 120.500 -0.226 0.000 2.664 465 R HA 0.637 4.977 4.340 -0.000 0.000 0.286 465 R C -1.737 174.433 176.300 -0.215 0.000 0.967 465 R CA -0.568 55.480 56.100 -0.087 0.000 0.933 465 R CB 1.390 31.680 30.300 -0.017 0.000 1.146 465 R HN 0.628 nan 8.270 nan 0.000 0.468 466 Y N 3.990 124.486 120.300 0.326 0.000 2.376 466 Y HA 0.455 5.005 4.550 -0.000 0.000 0.326 466 Y C -0.274 175.892 175.900 0.444 0.000 0.970 466 Y CA -0.692 57.642 58.100 0.390 0.000 1.248 466 Y CB 1.149 39.793 38.460 0.307 0.000 1.117 466 Y HN 0.287 nan 8.280 nan 0.000 0.476 467 I N 4.366 125.238 120.570 0.503 0.000 2.312 467 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 467 I C 0.231 176.609 176.117 0.436 0.000 1.008 467 I CA -0.359 61.163 61.300 0.371 0.000 1.226 467 I CB 1.349 39.477 38.000 0.213 0.000 1.371 467 I HN 0.654 nan 8.210 nan 0.000 0.468 468 T N 1.098 115.877 114.554 0.376 0.000 2.905 468 T HA 0.260 4.610 4.350 -0.000 0.000 0.283 468 T C 0.944 175.746 174.700 0.170 0.000 1.031 468 T CA -0.673 61.621 62.100 0.325 0.000 1.002 468 T CB 1.754 70.862 68.868 0.400 0.000 1.200 468 T HN 0.617 nan 8.240 nan 0.000 0.560 469 E N 0.913 121.192 120.200 0.132 0.000 2.274 469 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 469 E C 1.542 178.226 176.600 0.140 0.000 0.996 469 E CA 0.948 57.404 56.400 0.092 0.000 0.840 469 E CB -0.157 29.587 29.700 0.072 0.000 0.772 469 E HN 0.880 nan 8.360 nan 0.000 0.491 470 R N 0.111 120.685 120.500 0.123 0.000 2.446 470 R HA 0.580 4.920 4.340 -0.000 0.000 0.254 470 R C 0.234 176.554 176.300 0.033 0.000 0.918 470 R CA 0.344 56.498 56.100 0.090 0.000 1.069 470 R CB 0.724 31.055 30.300 0.053 0.000 1.194 470 R HN 0.089 nan 8.270 nan 0.000 0.534 471 A N 0.564 123.401 122.820 0.028 0.000 2.594 471 A HA 0.558 4.878 4.320 -0.000 0.000 0.296 471 A C -1.552 175.974 177.584 -0.097 0.000 1.061 471 A CA -0.613 51.347 52.037 -0.129 0.000 0.689 471 A CB 2.114 20.957 19.000 -0.262 0.000 1.280 471 A HN -0.007 nan 8.150 nan 0.000 0.406 472 V N 1.565 121.341 119.914 -0.230 0.000 2.604 472 V HA 0.733 4.853 4.120 -0.000 0.000 0.305 472 V C -0.954 175.001 176.094 -0.232 0.000 1.043 472 V CA -0.343 61.926 62.300 -0.052 0.000 0.888 472 V CB 1.340 33.185 31.823 0.037 0.000 0.995 472 V HN 0.738 nan 8.190 nan 0.000 0.429 473 F N 0.903 120.989 119.950 0.227 0.000 2.579 473 F HA 0.743 5.270 4.527 -0.000 0.000 0.324 473 F C 0.434 176.440 175.800 0.343 0.000 1.058 473 F CA -0.663 57.500 58.000 0.272 0.000 0.944 473 F CB 2.469 41.642 39.000 0.289 0.000 1.245 473 F HN 0.306 nan 8.300 nan 0.000 0.477 474 T N 2.574 117.426 114.554 0.497 0.000 2.861 474 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 474 T C -1.304 173.624 174.700 0.382 0.000 1.003 474 T CA -0.519 61.798 62.100 0.363 0.000 0.977 474 T CB 1.742 70.720 68.868 0.183 0.000 0.996 474 T HN 0.393 nan 8.240 nan 0.000 0.448 475 L N 4.152 125.603 121.223 0.380 0.000 2.319 475 L HA 0.509 4.849 4.340 -0.000 0.000 0.280 475 L C -0.252 176.706 176.870 0.147 0.000 1.099 475 L CA 0.369 55.411 54.840 0.337 0.000 0.828 475 L CB -0.076 42.241 42.059 0.430 0.000 1.150 475 L HN 0.396 nan 8.230 nan 0.000 0.442 476 K N 3.342 123.797 120.400 0.091 0.000 2.378 476 K HA 0.342 4.662 4.320 -0.000 0.000 0.244 476 K C 0.629 177.270 176.600 0.067 0.000 1.039 476 K CA -0.818 55.462 56.287 -0.012 0.000 0.863 476 K CB 1.045 33.371 32.500 -0.290 0.000 1.326 476 K HN 0.439 nan 8.250 nan 0.000 0.460 477 E N 1.303 121.533 120.200 0.050 0.000 2.160 477 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 477 E C 0.653 177.306 176.600 0.087 0.000 0.991 477 E CA 1.535 57.973 56.400 0.063 0.000 0.810 477 E CB 0.027 29.754 29.700 0.045 0.000 0.742 477 E HN 0.557 nan 8.360 nan 0.000 0.466 478 D N -0.693 119.786 120.400 0.132 0.000 2.336 478 D HA 0.203 4.843 4.640 -0.000 0.000 0.228 478 D C 0.978 177.368 176.300 0.151 0.000 1.120 478 D CA 0.531 54.614 54.000 0.138 0.000 0.839 478 D CB 0.206 41.098 40.800 0.152 0.000 0.932 478 D HN 0.128 nan 8.370 nan 0.000 0.509 479 G N -0.212 108.684 108.800 0.160 0.000 2.396 479 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.254 479 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.254 479 G C -1.256 173.803 174.900 0.265 0.000 1.248 479 G CA -0.732 44.448 45.100 0.133 0.000 1.033 479 G HN 0.206 nan 8.290 nan 0.000 0.502 480 L N 1.739 123.098 121.223 0.227 0.000 2.410 480 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 480 L C 0.879 178.036 176.870 0.478 0.000 1.152 480 L CA 0.334 55.378 54.840 0.340 0.000 0.855 480 L CB 0.490 42.676 42.059 0.211 0.000 1.129 480 L HN 0.532 nan 8.230 nan 0.000 0.463 481 H N 4.006 123.253 119.070 0.295 0.000 2.519 481 H HA 0.234 4.790 4.556 -0.000 0.000 0.316 481 H C -0.547 174.925 175.328 0.239 0.000 1.065 481 H CA -1.188 54.998 56.048 0.229 0.000 1.264 481 H CB 1.795 31.650 29.762 0.154 0.000 1.413 481 H HN 0.361 nan 8.280 nan 0.000 0.465 482 L N 5.904 127.245 121.223 0.197 0.000 2.433 482 L HA 0.058 4.397 4.340 -0.000 0.000 0.275 482 L C 0.867 177.690 176.870 -0.078 0.000 1.128 482 L CA 0.390 55.137 54.840 -0.155 0.000 0.875 482 L CB -0.160 41.756 42.059 -0.239 0.000 1.171 482 L HN 0.666 nan 8.230 nan 0.000 0.463 483 I N 0.113 120.626 120.570 -0.095 0.000 4.139 483 I HA 0.437 4.607 4.170 -0.000 0.000 0.320 483 I C -0.022 176.072 176.117 -0.037 0.000 1.290 483 I CA -0.111 61.184 61.300 -0.010 0.000 1.253 483 I CB 0.215 38.250 38.000 0.060 0.000 1.122 483 I HN 0.501 nan 8.210 nan 0.000 0.421 484 E N 1.597 121.736 120.200 -0.102 0.000 2.366 484 E HA 0.619 4.969 4.350 -0.000 0.000 0.278 484 E C -1.520 175.010 176.600 -0.117 0.000 0.923 484 E CA -0.688 55.674 56.400 -0.064 0.000 0.761 484 E CB 3.486 33.184 29.700 -0.004 0.000 1.231 484 E HN 0.201 nan 8.360 nan 0.000 0.443 485 I N 1.321 121.849 120.570 -0.071 0.000 2.582 485 I HA 0.588 4.758 4.170 -0.000 0.000 0.292 485 I C -0.910 175.178 176.117 -0.049 0.000 1.066 485 I CA -0.663 60.589 61.300 -0.081 0.000 1.053 485 I CB 1.353 39.295 38.000 -0.097 0.000 1.241 485 I HN 0.740 nan 8.210 nan 0.000 0.421 486 A N 7.976 130.776 122.820 -0.035 0.000 2.445 486 A HA 0.516 4.835 4.320 -0.000 0.000 0.242 486 A C -2.555 174.860 177.584 -0.282 0.000 1.075 486 A CA -0.956 51.013 52.037 -0.114 0.000 0.777 486 A CB -0.507 18.500 19.000 0.011 0.000 1.013 486 A HN 0.484 nan 8.150 nan 0.000 0.493 487 P HA 0.348 nan 4.420 nan 0.000 0.271 487 P C 0.861 177.961 177.300 -0.334 0.000 1.216 487 P CA 1.512 64.381 63.100 -0.386 0.000 0.776 487 P CB 0.833 32.253 31.700 -0.466 0.000 0.881 488 G N 0.469 109.153 108.800 -0.194 0.000 2.159 488 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.227 488 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.227 488 G C -0.187 174.656 174.900 -0.095 0.000 0.986 488 G CA -0.279 44.740 45.100 -0.134 0.000 0.651 488 G HN 0.552 nan 8.290 nan 0.000 0.523 489 V N 0.255 120.111 119.914 -0.097 0.000 2.735 489 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 489 V C -0.553 175.503 176.094 -0.063 0.000 1.061 489 V CA -0.529 61.730 62.300 -0.069 0.000 0.913 489 V CB 2.065 33.850 31.823 -0.064 0.000 1.005 489 V HN 0.330 nan 8.190 nan 0.000 0.428 490 D N 2.218 122.588 120.400 -0.050 0.000 2.274 490 D HA 0.301 4.941 4.640 -0.000 0.000 0.239 490 D C 0.804 177.074 176.300 -0.051 0.000 1.104 490 D CA -0.504 53.468 54.000 -0.047 0.000 0.840 490 D CB 1.586 42.363 40.800 -0.039 0.000 1.100 490 D HN 0.379 nan 8.370 nan 0.000 0.477 491 L N 4.125 125.315 121.223 -0.055 0.000 1.990 491 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 491 L C 1.943 178.780 176.870 -0.055 0.000 1.072 491 L CA 2.040 56.844 54.840 -0.061 0.000 0.755 491 L CB -0.817 41.206 42.059 -0.060 0.000 0.889 491 L HN 0.617 nan 8.230 nan 0.000 0.432 492 Q N -0.118 119.654 119.800 -0.046 0.000 1.990 492 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 492 Q C 2.271 178.246 176.000 -0.043 0.000 0.980 492 Q CA 2.192 57.969 55.803 -0.043 0.000 0.832 492 Q CB -0.163 28.554 28.738 -0.035 0.000 0.897 492 Q HN 0.543 nan 8.270 nan 0.000 0.427 493 K N -0.227 120.151 120.400 -0.037 0.000 2.103 493 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 493 K C 1.260 177.840 176.600 -0.033 0.000 1.052 493 K CA 1.339 57.607 56.287 -0.032 0.000 0.945 493 K CB 0.190 32.674 32.500 -0.027 0.000 0.722 493 K HN 0.255 nan 8.250 nan 0.000 0.443 494 D N -0.458 119.919 120.400 -0.037 0.000 2.366 494 D HA 0.116 4.756 4.640 -0.000 0.000 0.205 494 D C 1.533 177.807 176.300 -0.043 0.000 1.022 494 D CA 0.654 54.635 54.000 -0.033 0.000 0.868 494 D CB 0.582 41.366 40.800 -0.028 0.000 0.953 494 D HN 0.167 nan 8.370 nan 0.000 0.514 495 I N -0.359 120.176 120.570 -0.059 0.000 3.632 495 I HA 0.009 4.179 4.170 -0.000 0.000 0.246 495 I C 2.122 178.175 176.117 -0.106 0.000 1.125 495 I CA -0.071 61.181 61.300 -0.079 0.000 1.519 495 I CB 0.180 38.133 38.000 -0.077 0.000 1.555 495 I HN -0.214 nan 8.210 nan 0.000 0.452 496 L N 1.097 122.264 121.223 -0.093 0.000 2.042 496 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 496 L C 1.689 178.498 176.870 -0.102 0.000 1.076 496 L CA 1.422 56.199 54.840 -0.105 0.000 0.749 496 L CB -0.711 41.303 42.059 -0.075 0.000 0.893 496 L HN 0.318 nan 8.230 nan 0.000 0.432 497 D N -0.222 120.134 120.400 -0.073 0.000 2.371 497 D HA -0.083 4.557 4.640 -0.000 0.000 0.221 497 D C 1.628 177.893 176.300 -0.059 0.000 0.986 497 D CA 0.838 54.804 54.000 -0.057 0.000 0.899 497 D CB 0.081 40.857 40.800 -0.040 0.000 0.902 497 D HN 0.202 nan 8.370 nan 0.000 0.530 498 K N -0.346 120.007 120.400 -0.078 0.000 2.373 498 K HA 0.256 4.576 4.320 -0.000 0.000 0.202 498 K C 0.337 176.879 176.600 -0.097 0.000 1.025 498 K CA -0.031 56.218 56.287 -0.063 0.000 1.115 498 K CB 0.954 33.427 32.500 -0.045 0.000 0.858 498 K HN 0.194 nan 8.250 nan 0.000 0.525 499 M N 0.266 119.763 119.600 -0.171 0.000 2.395 499 M HA 0.230 4.710 4.480 -0.000 0.000 0.307 499 M C -0.284 175.883 176.300 -0.221 0.000 1.091 499 M CA -0.564 54.564 55.300 -0.286 0.000 0.919 499 M CB 2.037 34.275 32.600 -0.603 0.000 1.662 499 M HN -0.235 nan 8.290 nan 0.000 0.440 500 D N 1.830 122.151 120.400 -0.132 0.000 2.336 500 D HA 0.161 4.801 4.640 -0.000 0.000 0.229 500 D C -0.584 175.768 176.300 0.087 0.000 1.061 500 D CA 0.799 54.799 54.000 0.001 0.000 0.875 500 D CB -0.118 40.727 40.800 0.075 0.000 0.904 500 D HN 0.400 nan 8.370 nan 0.000 0.525 501 F N -2.413 117.516 119.950 -0.036 0.000 2.664 501 F HA 0.588 5.115 4.527 -0.000 0.000 0.317 501 F C -0.425 175.348 175.800 -0.046 0.000 1.108 501 F CA -1.262 56.706 58.000 -0.053 0.000 0.957 501 F CB 0.869 39.817 39.000 -0.086 0.000 1.365 501 F HN -0.488 nan 8.300 nan 0.000 0.475 502 T N 3.283 117.945 114.554 0.180 0.000 2.753 502 T HA 0.430 4.780 4.350 -0.000 0.000 0.297 502 T C -2.478 172.324 174.700 0.171 0.000 0.981 502 T CA -0.992 61.148 62.100 0.066 0.000 0.956 502 T CB 0.768 69.662 68.868 0.044 0.000 0.936 502 T HN 0.436 nan 8.240 nan 0.000 0.463 503 P HA 0.274 nan 4.420 nan 0.000 0.274 503 P C -0.420 176.923 177.300 0.072 0.000 1.237 503 P CA -0.502 62.713 63.100 0.192 0.000 0.793 503 P CB 0.678 32.527 31.700 0.248 0.000 0.977 504 V N 2.873 122.785 119.914 -0.003 0.000 2.572 504 V HA 0.033 4.153 4.120 -0.000 0.000 0.291 504 V C 0.829 176.835 176.094 -0.146 0.000 1.039 504 V CA -0.200 61.986 62.300 -0.190 0.000 1.055 504 V CB 0.019 31.477 31.823 -0.609 0.000 0.969 504 V HN 0.326 nan 8.190 nan 0.000 0.482 505 I N 4.123 124.632 120.570 -0.103 0.000 2.337 505 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 505 I C 0.851 176.931 176.117 -0.062 0.000 1.046 505 I CA 0.477 61.739 61.300 -0.064 0.000 1.324 505 I CB 0.840 38.811 38.000 -0.048 0.000 1.409 505 I HN 0.670 nan 8.210 nan 0.000 0.494 506 S N 9.126 124.816 115.700 -0.016 0.000 2.552 506 S HA 0.115 4.585 4.470 -0.000 0.000 0.289 506 S C -0.923 173.689 174.600 0.020 0.000 1.304 506 S CA -0.747 57.479 58.200 0.043 0.000 1.063 506 S CB 0.569 63.821 63.200 0.087 0.000 0.848 506 S HN 0.500 nan 8.310 nan 0.000 0.499 507 P HA 0.024 nan 4.420 nan 0.000 0.229 507 P C 0.219 177.533 177.300 0.022 0.000 1.160 507 P CA 0.727 63.840 63.100 0.020 0.000 0.777 507 P CB 0.156 31.872 31.700 0.027 0.000 0.814 508 E N -0.005 120.216 120.200 0.034 0.000 2.394 508 E HA 0.105 4.454 4.350 -0.000 0.000 0.191 508 E C 0.434 177.049 176.600 0.024 0.000 1.044 508 E CA -0.768 55.650 56.400 0.031 0.000 0.939 508 E CB -0.435 29.290 29.700 0.041 0.000 1.089 508 E HN 0.199 nan 8.360 nan 0.000 0.456 509 L N 2.610 123.840 121.223 0.012 0.000 2.559 509 L HA -0.049 4.291 4.340 -0.000 0.000 0.274 509 L C 0.278 177.145 176.870 -0.004 0.000 1.205 509 L CA 0.677 55.514 54.840 -0.005 0.000 0.907 509 L CB 0.108 42.152 42.059 -0.024 0.000 1.153 509 L HN -0.001 nan 8.230 nan 0.000 0.490 510 K N 4.421 124.820 120.400 -0.000 0.000 2.395 510 K HA 0.608 4.928 4.320 -0.000 0.000 0.245 510 K C -1.109 175.494 176.600 0.004 0.000 1.017 510 K CA -1.075 55.218 56.287 0.009 0.000 0.852 510 K CB 1.093 33.612 32.500 0.031 0.000 1.311 510 K HN 0.507 nan 8.250 nan 0.000 0.452 511 L N 1.970 123.198 121.223 0.009 0.000 2.417 511 L HA 0.239 4.578 4.340 -0.000 0.000 0.268 511 L C 0.460 177.370 176.870 0.067 0.000 1.158 511 L CA -0.587 54.257 54.840 0.007 0.000 0.819 511 L CB 0.577 42.627 42.059 -0.016 0.000 1.112 511 L HN 0.574 nan 8.230 nan 0.000 0.458 512 M N 2.266 121.929 119.600 0.106 0.000 2.248 512 M HA -0.027 4.453 4.480 -0.000 0.000 0.345 512 M C 0.421 176.903 176.300 0.304 0.000 1.243 512 M CA 0.123 55.556 55.300 0.223 0.000 1.090 512 M CB -0.052 32.758 32.600 0.351 0.000 1.683 512 M HN 0.473 nan 8.290 nan 0.000 0.450 513 D N 3.244 123.812 120.400 0.280 0.000 2.772 513 D HA -0.143 4.497 4.640 -0.000 0.000 0.227 513 D C 0.899 177.406 176.300 0.344 0.000 1.114 513 D CA 0.656 54.839 54.000 0.304 0.000 0.832 513 D CB 0.561 41.635 40.800 0.455 0.000 1.154 513 D HN 0.724 nan 8.370 nan 0.000 0.514 514 E N 3.701 124.063 120.200 0.270 0.000 2.130 514 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 514 E C 1.629 178.402 176.600 0.288 0.000 0.998 514 E CA 1.003 57.565 56.400 0.269 0.000 0.806 514 E CB 0.241 30.028 29.700 0.145 0.000 0.738 514 E HN 0.481 nan 8.360 nan 0.000 0.459 515 R N -0.051 120.582 120.500 0.222 0.000 2.152 515 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 515 R C 2.483 178.840 176.300 0.096 0.000 1.117 515 R CA 0.829 57.029 56.100 0.168 0.000 0.981 515 R CB -0.238 30.174 30.300 0.186 0.000 0.870 515 R HN 0.257 nan 8.270 nan 0.000 0.451 516 L N -0.466 120.767 121.223 0.016 0.000 2.187 516 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 516 L C 1.119 177.709 176.870 -0.465 0.000 1.100 516 L CA 1.210 55.849 54.840 -0.336 0.000 0.765 516 L CB -0.154 41.502 42.059 -0.672 0.000 0.904 516 L HN 0.137 nan 8.230 nan 0.000 0.437 517 F N -0.875 119.073 119.950 -0.004 0.000 2.639 517 F HA 0.314 4.840 4.527 -0.000 0.000 0.302 517 F C 0.599 176.402 175.800 0.004 0.000 1.097 517 F CA -0.289 57.707 58.000 -0.006 0.000 1.294 517 F CB 0.173 39.170 39.000 -0.006 0.000 1.027 517 F HN -0.152 nan 8.300 nan 0.000 0.550 518 I N 0.184 120.829 120.570 0.125 0.000 2.404 518 I HA 0.157 4.327 4.170 -0.000 0.000 0.293 518 I C -0.017 176.128 176.117 0.046 0.000 0.992 518 I CA -0.632 60.721 61.300 0.088 0.000 1.149 518 I CB 1.295 39.349 38.000 0.090 0.000 1.315 518 I HN -0.222 nan 8.210 nan 0.000 0.446 519 D N 6.090 126.514 120.400 0.039 0.000 2.934 519 D HA 0.439 5.079 4.640 -0.000 0.000 0.237 519 D C -0.401 175.912 176.300 0.022 0.000 1.158 519 D CA 0.251 54.264 54.000 0.022 0.000 0.971 519 D CB 0.013 40.825 40.800 0.020 0.000 1.123 519 D HN 0.598 nan 8.370 nan 0.000 0.467 520 A N -0.031 122.805 122.820 0.027 0.000 2.593 520 A HA 0.759 5.078 4.320 -0.000 0.000 0.290 520 A C -0.566 177.040 177.584 0.036 0.000 1.126 520 A CA -0.467 51.588 52.037 0.029 0.000 0.695 520 A CB 0.887 19.907 19.000 0.034 0.000 1.290 520 A HN 0.256 nan 8.150 nan 0.000 0.414 521 A N 0.638 123.481 122.820 0.039 0.000 2.567 521 A HA 0.371 4.691 4.320 -0.000 0.000 0.240 521 A C 0.982 178.612 177.584 0.075 0.000 1.053 521 A CA 0.490 52.560 52.037 0.054 0.000 0.755 521 A CB -0.560 18.472 19.000 0.053 0.000 0.978 521 A HN 0.845 nan 8.150 nan 0.000 0.507 522 M N 2.468 122.131 119.600 0.105 0.000 2.476 522 M HA 0.044 4.524 4.480 -0.000 0.000 0.262 522 M C 1.654 178.042 176.300 0.146 0.000 1.079 522 M CA 1.259 56.645 55.300 0.144 0.000 1.104 522 M CB -0.170 32.557 32.600 0.213 0.000 1.409 522 M HN 1.288 nan 8.290 nan 0.000 0.467 523 G N 1.621 110.500 108.800 0.132 0.000 2.198 523 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 523 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 523 G C -0.063 174.901 174.900 0.107 0.000 1.025 523 G CA -0.239 44.919 45.100 0.096 0.000 0.769 523 G HN 0.507 nan 8.290 nan 0.000 0.507 524 F N 1.154 121.116 119.950 0.019 0.000 2.578 524 F HA 0.439 4.965 4.527 -0.000 0.000 0.376 524 F C 0.759 176.540 175.800 -0.030 0.000 1.085 524 F CA -0.075 57.913 58.000 -0.021 0.000 1.260 524 F CB 0.880 39.905 39.000 0.043 0.000 1.095 524 F HN 0.555 nan 8.300 nan 0.000 0.573 525 V N 6.516 125.930 119.914 -0.834 0.000 2.384 525 V HA 0.472 4.592 4.120 -0.000 0.000 0.287 525 V C -0.650 174.760 176.094 -1.141 0.000 1.020 525 V CA -1.188 60.676 62.300 -0.726 0.000 0.850 525 V CB 1.127 32.733 31.823 -0.362 0.000 0.987 525 V HN 0.808 nan 8.190 nan 0.000 0.436 526 L N 7.976 128.748 121.223 -0.751 0.000 2.410 526 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 526 L C -2.033 174.691 176.870 -0.243 0.000 1.144 526 L CA -1.032 53.555 54.840 -0.421 0.000 0.863 526 L CB 0.310 42.369 42.059 0.001 0.000 1.140 526 L HN 0.572 nan 8.230 nan 0.000 0.463 527 P HA 0.026 nan 4.420 nan 0.000 0.268 527 P C -0.608 176.661 177.300 -0.051 0.000 1.208 527 P CA -0.196 62.842 63.100 -0.104 0.000 0.777 527 P CB 0.346 32.011 31.700 -0.058 0.000 0.875 528 E N 0.713 120.886 120.200 -0.044 0.000 2.422 528 E HA 0.176 4.526 4.350 -0.000 0.000 0.260 528 E C 0.608 177.206 176.600 -0.003 0.000 1.108 528 E CA -0.015 56.372 56.400 -0.021 0.000 0.943 528 E CB 0.252 29.938 29.700 -0.023 0.000 0.961 528 E HN 0.474 nan 8.360 nan 0.000 0.443 529 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 52.049 52.037 0.021 0.000 0.836 529 A CB 0.000 19.016 19.000 0.027 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486