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 2pff_1_A DATA FIRST_RESID 137 DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????X XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXX??????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? XXXXXXXXX? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ????VTFKDK YVLITGAGKG DATA SEQUENCE SIGAEVLQGL LQGGAKVVVT TSRFSKQVTD YYQSIYAKYG AKGSTLIVVP DATA SEQUENCE FNQGSKQDVE ALIEFIYDTE KNGGLGWDLD AIIPFAAIPE QGIELEHIDS DATA SEQUENCE KSEFAHRIML TNILRMMGCV KKQKSARGIE TRPAQVILPM SPNHGTFGGD DATA SEQUENCE GMYSESKLSL ETLFNRWHSE SWANQLTVCG AIIGWTRGTG LMSANNIIAE DATA SEQUENCE GIEKMGVRTF SQKEMAFNLL GLLTPEVVEL CQKSPVMADL NGGLQFVPEL DATA SEQUENCE KEFTAKLRKE LVETSEVRKA VSIETALEHK VVNGNSADAA YAXXXXXPRA DATA SEQUENCE NIQLDFPELK PYKQVKQIAP AELEGLLDLE RVIVVTGFAE VGPWGSARTR DATA SEQUENCE WEMEAFGEFS LEGCVEMAWI MGFISYHNGN LKGRPYTGWV DSKTKEPVDD DATA SEQUENCE KDVKAKYETS ILEHSGIRLI EPELFNGYNP EKKEMIQEVI VEEDLEPFEA DATA SEQUENCE SKETAEQFKH QHGDKVDIFE IPETGEYSVK LLKGATLYIP KALRFDRLVA DATA SEQUENCE GQIPTGWNAK TYGISDDIIS QVDPITLFVL VSVVEAFIAS GITDPYEMYK DATA SEQUENCE YVHVSEVGNC SGSGMGGVSA LRGMFKDRFK DEPVQNDILQ ESFINTMSAW DATA SEQUENCE VNMLLISSSG PIKTPVGACA TSVESVDIGV ETILSGKARI CIVGGYDDFQ DATA SEQUENCE EEGSFEFGNM KATSNTLEEF EHGRTPAEMS RPATTTRNGF MEAQGAGIQI DATA SEQUENCE IMQADLALKM GVPIYGIVAM AATATDKIGR SVPAPGKGIL TTAREHHSSV DATA SEQUENCE KYASPNLNMK YRKRQLVTRE AQIKDWVENE LEALKLEAEE IPSEDQNEFL DATA SEQUENCE LERTREIHNE AESQLRAAQQ QWGNDFYKRD PRIAPLRGAL ATYGLTIDDL DATA SEQUENCE GVASFHGTST KANDKNESAT INEMMKHLGR SEGNPVIGVF QKFLTGHPKG DATA SEQUENCE AAGAWMMNGA LQILNSGIIP GNRNADNVDK ILEQFEYVLY PSKTLKTDGV DATA SEQUENCE RAVSITSFGF GQKGGQAIVV HPDYLYGAIT EDRYNEYVAK VSAREKSAYK DATA SEQUENCE FFHNGMIYNK LFVSKEHAPY TDELEEDVYL DPLARVSKDK KSGSLTFNSK DATA SEQUENCE NIQSKDSY?? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ? 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 137 ? HA 0.000 nan 9999.000 nan 0.000 0.000 137 ? C 0.000 9999.000 9999.000 -0.002 0.000 0.000 137 ? CA 0.000 9999.000 9999.000 -0.002 0.000 0.000 137 ? CB 0.000 9999.000 9999.000 -0.003 0.000 0.000 672 T N 2.360 116.737 114.554 -0.296 0.000 2.849 672 T HA 0.610 4.942 4.350 -0.029 0.000 0.284 672 T C 0.432 174.983 174.700 -0.248 0.000 1.004 672 T CA 0.289 62.250 62.100 -0.232 0.000 1.021 672 T CB 0.660 69.473 68.868 -0.092 0.000 1.013 672 T HN 0.474 nan 8.240 nan 0.000 0.527 673 F N -0.132 119.799 119.950 -0.032 0.000 2.880 673 F HA 0.359 4.869 4.527 -0.029 0.000 0.346 673 F C 1.154 176.916 175.800 -0.063 0.000 1.054 673 F CA -0.808 57.166 58.000 -0.043 0.000 1.151 673 F CB 0.552 39.536 39.000 -0.028 0.000 1.066 673 F HN 0.406 nan 8.300 nan 0.000 0.566 674 K N 2.258 122.732 120.400 0.124 0.000 2.619 674 K HA -0.188 4.114 4.320 -0.029 0.000 0.278 674 K C -0.331 176.236 176.600 -0.055 0.000 0.969 674 K CA 1.170 57.472 56.287 0.025 0.000 1.042 674 K CB 0.060 32.562 32.500 0.003 0.000 0.845 674 K HN 0.231 nan 8.250 nan 0.000 0.497 675 D N 2.822 123.122 120.400 -0.165 0.000 3.187 675 D HA -0.156 4.467 4.640 -0.029 0.000 0.244 675 D C -0.071 176.002 176.300 -0.379 0.000 1.114 675 D CA 0.576 54.357 54.000 -0.364 0.000 0.920 675 D CB -0.032 40.617 40.800 -0.252 0.000 0.970 675 D HN 0.578 nan 8.370 nan 0.000 0.418 676 K N -0.386 119.742 120.400 -0.452 0.000 2.826 676 K HA 0.044 4.347 4.320 -0.029 0.000 0.195 676 K C 0.099 176.566 176.600 -0.222 0.000 1.516 676 K CA 0.181 56.286 56.287 -0.304 0.000 1.213 676 K CB 0.860 33.237 32.500 -0.206 0.000 1.762 676 K HN 0.499 nan 8.250 nan 0.000 0.583 677 Y N 0.760 120.919 120.300 -0.235 0.000 2.619 677 Y HA -0.260 4.273 4.550 -0.029 0.000 0.046 677 Y C -0.437 175.404 175.900 -0.099 0.000 1.802 677 Y CA -0.475 57.475 58.100 -0.249 0.000 1.332 677 Y CB -0.758 37.518 38.460 -0.306 0.000 1.982 677 Y HN -0.199 nan 8.280 nan 0.000 0.272 678 V N 4.344 124.332 119.914 0.124 0.000 3.048 678 V HA 0.535 4.638 4.120 -0.029 0.000 0.303 678 V C -0.802 175.349 176.094 0.096 0.000 1.214 678 V CA -1.109 61.239 62.300 0.080 0.000 0.984 678 V CB 2.009 33.824 31.823 -0.013 0.000 1.054 678 V HN 0.485 nan 8.190 nan 0.000 0.430 679 L N 2.796 124.060 121.223 0.069 0.000 2.334 679 L HA 0.932 5.255 4.340 -0.029 0.000 0.276 679 L C -0.808 176.068 176.870 0.010 0.000 1.014 679 L CA -1.092 53.772 54.840 0.040 0.000 0.815 679 L CB 0.790 42.857 42.059 0.014 0.000 1.268 679 L HN 0.455 nan 8.230 nan 0.000 0.428 680 I N 0.707 121.276 120.570 -0.002 0.000 2.498 680 I HA 0.630 4.783 4.170 -0.029 0.000 0.290 680 I C 1.125 177.246 176.117 0.008 0.000 1.032 680 I CA -0.194 61.102 61.300 -0.007 0.000 1.073 680 I CB 1.719 39.707 38.000 -0.020 0.000 1.251 680 I HN 0.683 nan 8.210 nan 0.000 0.426 681 T N 3.055 117.644 114.554 0.058 0.000 2.770 681 T HA 0.066 4.399 4.350 -0.029 0.000 0.258 681 T C 1.176 175.954 174.700 0.130 0.000 1.039 681 T CA 0.982 63.148 62.100 0.110 0.000 1.143 681 T CB -0.372 68.609 68.868 0.189 0.000 0.866 681 T HN 0.895 nan 8.240 nan 0.000 0.428 682 G N 1.870 110.750 108.800 0.132 0.000 2.241 682 G HA2 0.295 4.237 3.960 -0.029 0.000 0.235 682 G HA3 0.295 4.237 3.960 -0.029 0.000 0.235 682 G C 0.492 175.437 174.900 0.075 0.000 1.127 682 G CA 0.024 45.177 45.100 0.089 0.000 0.867 682 G HN 0.651 nan 8.290 nan 0.000 0.473 683 A N 2.258 125.127 122.820 0.083 0.000 2.474 683 A HA 0.482 4.785 4.320 -0.029 0.000 0.286 683 A C 1.570 179.227 177.584 0.122 0.000 1.196 683 A CA 1.356 53.445 52.037 0.086 0.000 0.924 683 A CB -0.332 18.696 19.000 0.047 0.000 1.120 683 A HN 1.651 nan 8.150 nan 0.000 0.530 684 G N -1.539 107.348 108.800 0.146 0.000 2.930 684 G HA2 0.224 4.167 3.960 -0.029 0.000 0.209 684 G HA3 0.224 4.167 3.960 -0.029 0.000 0.209 684 G C 1.105 176.009 174.900 0.007 0.000 2.018 684 G CA 0.490 45.727 45.100 0.230 0.000 0.751 684 G HN 0.754 nan 8.290 nan 0.000 0.770 685 K N 0.439 120.608 120.400 -0.385 0.000 2.286 685 K HA -0.068 4.235 4.320 -0.029 0.000 0.203 685 K C 2.209 178.694 176.600 -0.191 0.000 1.045 685 K CA 1.460 57.414 56.287 -0.555 0.000 0.935 685 K CB -0.663 31.242 32.500 -0.992 0.000 0.737 685 K HN 0.324 nan 8.250 nan 0.000 0.460 686 G N 0.318 109.046 108.800 -0.121 0.000 2.739 686 G HA2 -0.278 3.665 3.960 -0.029 0.000 0.216 686 G HA3 -0.278 3.665 3.960 -0.029 0.000 0.216 686 G C 0.496 175.379 174.900 -0.029 0.000 1.298 686 G CA 1.289 46.354 45.100 -0.058 0.000 0.804 686 G HN 0.575 nan 8.290 nan 0.000 0.623 687 S N -3.222 112.473 115.700 -0.008 0.000 2.643 687 S HA 0.368 4.821 4.470 -0.029 0.000 0.266 687 S C 0.667 175.269 174.600 0.003 0.000 1.134 687 S CA 0.178 58.381 58.200 0.005 0.000 0.881 687 S CB 0.070 63.273 63.200 0.006 0.000 1.173 687 S HN 1.005 nan 8.310 nan 0.000 0.485 688 I N 0.142 120.719 120.570 0.012 0.000 4.866 688 I HA -0.388 3.765 4.170 -0.029 0.000 0.040 688 I C 2.197 178.284 176.117 -0.050 0.000 0.634 688 I CA 2.110 63.407 61.300 -0.004 0.000 0.370 688 I CB -1.702 36.299 38.000 0.002 0.000 0.414 688 I HN 1.015 nan 8.210 nan 0.000 0.152 689 G N -0.222 108.509 108.800 -0.116 0.000 2.450 689 G HA2 -0.082 3.861 3.960 -0.029 0.000 0.220 689 G HA3 -0.082 3.861 3.960 -0.029 0.000 0.220 689 G C 1.563 176.426 174.900 -0.062 0.000 1.130 689 G CA 2.071 47.085 45.100 -0.144 0.000 0.760 689 G HN 0.955 nan 8.290 nan 0.000 0.557 690 A N 1.191 123.994 122.820 -0.029 0.000 1.883 690 A HA -0.256 4.047 4.320 -0.029 0.000 0.222 690 A C 2.234 179.792 177.584 -0.044 0.000 1.339 690 A CA 2.355 54.379 52.037 -0.022 0.000 0.692 690 A CB -0.634 18.373 19.000 0.011 0.000 0.845 690 A HN 0.362 nan 8.150 nan 0.000 0.467 691 E N -0.494 119.706 120.200 0.000 0.000 2.017 691 E HA -0.133 4.200 4.350 -0.029 0.000 0.193 691 E C 2.254 178.884 176.600 0.049 0.000 0.997 691 E CA 1.291 57.716 56.400 0.042 0.000 0.804 691 E CB -1.129 28.623 29.700 0.087 0.000 0.757 691 E HN 0.394 nan 8.360 nan 0.000 0.448 692 V N 2.135 122.066 119.914 0.029 0.000 2.242 692 V HA -0.326 3.777 4.120 -0.029 0.000 0.257 692 V C 2.563 178.673 176.094 0.026 0.000 1.073 692 V CA 2.330 64.642 62.300 0.019 0.000 1.058 692 V CB -0.923 30.858 31.823 -0.071 0.000 0.664 692 V HN 0.188 nan 8.190 nan 0.000 0.451 693 L N 0.072 121.286 121.223 -0.015 0.000 1.955 693 L HA -0.239 4.084 4.340 -0.029 0.000 0.213 693 L C 2.555 179.436 176.870 0.017 0.000 1.072 693 L CA 2.190 57.024 54.840 -0.010 0.000 0.755 693 L CB -1.121 40.908 42.059 -0.051 0.000 0.888 693 L HN 0.419 nan 8.230 nan 0.000 0.432 694 Q N -0.350 119.425 119.800 -0.042 0.000 2.224 694 Q HA -0.258 4.065 4.340 -0.029 0.000 0.213 694 Q C 1.921 178.057 176.000 0.226 0.000 0.998 694 Q CA 1.696 57.508 55.803 0.015 0.000 0.895 694 Q CB -0.778 27.947 28.738 -0.022 0.000 0.926 694 Q HN 0.789 nan 8.270 nan 0.000 0.417 695 G N 1.049 109.959 108.800 0.183 0.000 2.616 695 G HA2 -0.203 3.740 3.960 -0.029 0.000 0.215 695 G HA3 -0.203 3.740 3.960 -0.029 0.000 0.215 695 G C 1.317 176.380 174.900 0.271 0.000 1.284 695 G CA 0.484 45.724 45.100 0.233 0.000 0.823 695 G HN 0.164 nan 8.290 nan 0.000 0.569 696 L N 0.202 121.564 121.223 0.232 0.000 2.186 696 L HA -0.210 4.112 4.340 -0.029 0.000 0.221 696 L C 2.944 179.935 176.870 0.201 0.000 1.087 696 L CA 1.414 56.356 54.840 0.170 0.000 0.794 696 L CB -1.070 40.987 42.059 -0.004 0.000 0.893 696 L HN 0.251 nan 8.230 nan 0.000 0.442 697 L N -1.030 120.292 121.223 0.165 0.000 2.007 697 L HA -0.225 4.098 4.340 -0.029 0.000 0.205 697 L C 2.671 179.616 176.870 0.125 0.000 1.073 697 L CA 1.277 56.204 54.840 0.146 0.000 0.744 697 L CB -0.432 41.702 42.059 0.125 0.000 0.898 697 L HN 0.257 nan 8.230 nan 0.000 0.435 698 Q N -0.179 119.705 119.800 0.141 0.000 2.291 698 Q HA -0.154 4.169 4.340 -0.029 0.000 0.206 698 Q C 2.024 178.065 176.000 0.067 0.000 0.976 698 Q CA 1.427 57.271 55.803 0.068 0.000 0.875 698 Q CB -0.161 28.601 28.738 0.039 0.000 0.927 698 Q HN 0.525 nan 8.270 nan 0.000 0.450 699 G N -0.571 108.323 108.800 0.157 0.000 2.440 699 G HA2 -0.099 3.844 3.960 -0.029 0.000 0.218 699 G HA3 -0.099 3.844 3.960 -0.029 0.000 0.218 699 G C 1.031 176.017 174.900 0.144 0.000 1.154 699 G CA 0.779 45.992 45.100 0.188 0.000 0.767 699 G HN 0.667 nan 8.290 nan 0.000 0.552 700 G N -1.389 107.498 108.800 0.143 0.000 2.192 700 G HA2 0.191 4.134 3.960 -0.029 0.000 0.193 700 G HA3 0.191 4.134 3.960 -0.029 0.000 0.193 700 G C 0.730 175.691 174.900 0.103 0.000 0.999 700 G CA 0.843 46.001 45.100 0.096 0.000 0.659 700 G HN 1.291 nan 8.290 nan 0.000 0.503 701 A N -0.004 122.894 122.820 0.130 0.000 2.238 701 A HA 0.660 4.963 4.320 -0.029 0.000 0.276 701 A C 0.629 178.260 177.584 0.080 0.000 1.464 701 A CA 1.024 53.103 52.037 0.070 0.000 0.835 701 A CB 0.226 19.239 19.000 0.022 0.000 1.277 701 A HN 0.546 nan 8.150 nan 0.000 0.534 702 K N -1.184 119.252 120.400 0.060 0.000 2.601 702 K HA 0.578 4.880 4.320 -0.029 0.000 0.249 702 K C -1.884 174.761 176.600 0.074 0.000 0.966 702 K CA -0.347 55.957 56.287 0.027 0.000 0.827 702 K CB 2.183 34.535 32.500 -0.246 0.000 1.178 702 K HN 0.328 nan 8.250 nan 0.000 0.437 703 V N 2.445 122.483 119.914 0.207 0.000 2.914 703 V HA 0.444 4.547 4.120 -0.029 0.000 0.314 703 V C -0.979 175.278 176.094 0.271 0.000 1.084 703 V CA -0.880 61.559 62.300 0.232 0.000 0.963 703 V CB 2.570 34.475 31.823 0.136 0.000 1.025 703 V HN 0.459 nan 8.190 nan 0.000 0.432 704 V N 4.393 124.436 119.914 0.215 0.000 2.326 704 V HA 0.440 4.543 4.120 -0.029 0.000 0.281 704 V C -0.320 175.814 176.094 0.067 0.000 1.015 704 V CA -0.405 61.965 62.300 0.117 0.000 0.823 704 V CB 1.760 33.634 31.823 0.085 0.000 1.009 704 V HN 0.608 nan 8.190 nan 0.000 0.436 705 V N 3.507 123.453 119.914 0.053 0.000 2.617 705 V HA 0.514 4.617 4.120 -0.029 0.000 0.298 705 V C 0.421 176.492 176.094 -0.038 0.000 1.048 705 V CA -0.419 61.908 62.300 0.045 0.000 0.964 705 V CB 1.832 33.756 31.823 0.168 0.000 1.004 705 V HN 0.771 nan 8.190 nan 0.000 0.466 706 T N 2.617 117.160 114.554 -0.018 0.000 2.794 706 T HA 0.553 4.886 4.350 -0.029 0.000 0.280 706 T C -0.283 174.444 174.700 0.046 0.000 0.987 706 T CA -0.195 61.904 62.100 -0.000 0.000 0.993 706 T CB 0.785 69.620 68.868 -0.055 0.000 0.939 706 T HN 0.904 nan 8.240 nan 0.000 0.449 707 T N 3.006 117.599 114.554 0.065 0.000 2.829 707 T HA 0.316 4.649 4.350 -0.029 0.000 0.280 707 T C 1.166 175.949 174.700 0.138 0.000 0.999 707 T CA -0.649 61.481 62.100 0.050 0.000 0.983 707 T CB 1.727 70.552 68.868 -0.072 0.000 0.968 707 T HN 0.458 nan 8.240 nan 0.000 0.446 708 S N 1.350 117.118 115.700 0.112 0.000 2.496 708 S HA 0.111 4.563 4.470 -0.029 0.000 0.224 708 S C 0.938 175.596 174.600 0.097 0.000 0.996 708 S CA 0.741 59.006 58.200 0.109 0.000 0.927 708 S CB 0.007 63.261 63.200 0.092 0.000 0.774 708 S HN 0.591 nan 8.310 nan 0.000 0.524 709 R N -1.664 118.894 120.500 0.098 0.000 3.361 709 R HA 0.760 5.083 4.340 -0.029 0.000 0.188 709 R C -0.882 175.559 176.300 0.234 0.000 1.441 709 R CA -0.561 55.610 56.100 0.119 0.000 0.810 709 R CB 0.221 30.562 30.300 0.068 0.000 1.658 709 R HN 0.196 nan 8.270 nan 0.000 0.483 710 F N -1.700 118.236 119.950 -0.024 0.000 4.174 710 F HA 0.339 4.849 4.527 -0.028 0.000 0.313 710 F C -1.387 174.400 175.800 -0.022 0.000 0.911 710 F CA 0.625 58.604 58.000 -0.035 0.000 0.783 710 F CB 0.664 39.642 39.000 -0.038 0.000 1.823 710 F HN 0.603 nan 8.300 nan 0.000 0.455 711 S N 1.060 117.003 115.700 0.405 0.000 3.386 711 S HA -0.152 4.301 4.470 -0.029 0.000 0.810 711 S C 0.279 174.924 174.600 0.075 0.000 1.062 711 S CA 0.369 58.696 58.200 0.211 0.000 1.151 711 S CB -0.729 62.541 63.200 0.117 0.000 0.758 711 S HN 1.058 nan 8.310 nan 0.000 0.308 712 K N 1.099 121.543 120.400 0.073 0.000 2.293 712 K HA -0.226 4.077 4.320 -0.029 0.000 0.204 712 K C 2.020 178.645 176.600 0.041 0.000 1.045 712 K CA 1.870 58.187 56.287 0.049 0.000 0.933 712 K CB -0.268 32.271 32.500 0.066 0.000 0.736 712 K HN 0.519 nan 8.250 nan 0.000 0.463 713 Q N 0.386 120.210 119.800 0.039 0.000 2.062 713 Q HA -0.163 4.160 4.340 -0.029 0.000 0.209 713 Q C 1.981 178.010 176.000 0.047 0.000 0.996 713 Q CA 1.800 57.624 55.803 0.036 0.000 0.859 713 Q CB -0.187 28.563 28.738 0.021 0.000 0.920 713 Q HN 0.222 nan 8.270 nan 0.000 0.415 714 V N -0.545 119.369 119.914 -0.000 0.000 2.949 714 V HA -0.054 4.049 4.120 -0.029 0.000 0.245 714 V C 1.684 177.742 176.094 -0.059 0.000 1.086 714 V CA 1.347 63.654 62.300 0.012 0.000 1.097 714 V CB -0.165 31.577 31.823 -0.134 0.000 0.762 714 V HN 0.257 nan 8.190 nan 0.000 0.470 715 T N -0.043 114.415 114.554 -0.159 0.000 3.219 715 T HA -0.090 4.243 4.350 -0.029 0.000 0.264 715 T C 1.010 175.692 174.700 -0.029 0.000 1.178 715 T CA 1.067 63.076 62.100 -0.151 0.000 1.057 715 T CB -0.229 68.594 68.868 -0.076 0.000 0.919 715 T HN 0.397 nan 8.240 nan 0.000 0.545 716 D N -1.384 119.037 120.400 0.035 0.000 2.399 716 D HA 0.127 4.749 4.640 -0.029 0.000 0.269 716 D C 1.113 177.477 176.300 0.106 0.000 1.105 716 D CA -0.125 53.910 54.000 0.059 0.000 0.844 716 D CB 0.267 41.105 40.800 0.064 0.000 1.372 716 D HN 0.295 nan 8.370 nan 0.000 0.517 717 Y N 1.402 121.730 120.300 0.047 0.000 2.084 717 Y HA -0.188 4.345 4.550 -0.029 0.000 0.279 717 Y C 0.964 176.899 175.900 0.058 0.000 1.119 717 Y CA 1.549 59.680 58.100 0.051 0.000 1.101 717 Y CB -0.657 37.877 38.460 0.122 0.000 0.989 717 Y HN -0.159 nan 8.280 nan 0.000 0.484 718 Y N 1.750 121.943 120.300 -0.177 0.000 2.715 718 Y HA 0.017 4.550 4.550 -0.029 0.000 0.368 718 Y C 1.857 177.666 175.900 -0.152 0.000 1.125 718 Y CA 0.582 58.538 58.100 -0.240 0.000 1.447 718 Y CB -1.184 37.204 38.460 -0.119 0.000 1.438 718 Y HN 0.420 nan 8.280 nan 0.000 0.472 719 Q N 0.264 120.049 119.800 -0.025 0.000 2.377 719 Q HA -0.043 4.280 4.340 -0.029 0.000 0.193 719 Q C 2.288 178.270 176.000 -0.030 0.000 0.986 719 Q CA 1.801 57.601 55.803 -0.005 0.000 0.851 719 Q CB -0.864 27.871 28.738 -0.005 0.000 0.986 719 Q HN 0.171 nan 8.270 nan 0.000 0.559 720 S N 1.050 116.685 115.700 -0.108 0.000 2.359 720 S HA -0.130 4.323 4.470 -0.029 0.000 0.224 720 S C 1.990 176.486 174.600 -0.174 0.000 1.035 720 S CA 1.389 59.507 58.200 -0.136 0.000 1.018 720 S CB -0.793 62.294 63.200 -0.188 0.000 0.876 720 S HN 0.443 nan 8.310 nan 0.000 0.448 721 I N 1.016 121.370 120.570 -0.361 0.000 2.290 721 I HA -0.188 3.965 4.170 -0.029 0.000 0.253 721 I C 2.197 178.158 176.117 -0.260 0.000 1.112 721 I CA 1.447 62.430 61.300 -0.528 0.000 1.377 721 I CB -1.825 35.651 38.000 -0.874 0.000 1.060 721 I HN 0.415 nan 8.210 nan 0.000 0.428 722 Y N 1.850 122.034 120.300 -0.194 0.000 2.586 722 Y HA 0.274 4.807 4.550 -0.029 0.000 0.240 722 Y C 1.730 177.626 175.900 -0.006 0.000 0.998 722 Y CA 0.447 58.506 58.100 -0.067 0.000 1.019 722 Y CB -0.842 37.604 38.460 -0.023 0.000 1.047 722 Y HN 0.047 nan 8.280 nan 0.000 0.468 723 A N 1.879 124.709 122.820 0.016 0.000 2.858 723 A HA 0.023 4.326 4.320 -0.029 0.000 0.290 723 A C 1.012 178.575 177.584 -0.035 0.000 1.683 723 A CA 1.661 53.662 52.037 -0.059 0.000 1.180 723 A CB -1.431 17.632 19.000 0.105 0.000 0.954 723 A HN 0.721 nan 8.150 nan 0.000 0.592 724 K N -0.375 120.001 120.400 -0.040 0.000 1.130 724 K HA -0.045 4.258 4.320 -0.029 0.000 0.075 724 K C -0.448 176.265 176.600 0.188 0.000 2.356 724 K CA 0.463 56.806 56.287 0.095 0.000 0.970 724 K CB -0.136 32.481 32.500 0.196 0.000 2.609 724 K HN 0.506 nan 8.250 nan 0.000 0.319 725 Y N -0.297 119.884 120.300 -0.198 0.000 2.459 725 Y HA 0.343 4.876 4.550 -0.029 0.000 0.271 725 Y C 0.810 176.584 175.900 -0.210 0.000 1.063 725 Y CA 0.096 58.103 58.100 -0.156 0.000 1.216 725 Y CB 0.931 39.322 38.460 -0.116 0.000 1.335 725 Y HN 0.107 nan 8.280 nan 0.000 0.550 726 G N 1.739 110.385 108.800 -0.257 0.000 2.298 726 G HA2 0.376 4.319 3.960 -0.029 0.000 0.263 726 G HA3 0.376 4.319 3.960 -0.029 0.000 0.263 726 G C 0.279 175.014 174.900 -0.275 0.000 1.229 726 G CA 0.381 45.168 45.100 -0.523 0.000 0.976 726 G HN 0.328 nan 8.290 nan 0.000 0.459 727 A N 3.014 125.776 122.820 -0.097 0.000 2.313 727 A HA 0.461 4.764 4.320 -0.029 0.000 0.261 727 A C 1.726 179.298 177.584 -0.020 0.000 1.090 727 A CA 0.210 52.220 52.037 -0.046 0.000 0.807 727 A CB 0.410 19.410 19.000 0.001 0.000 1.055 727 A HN 0.884 nan 8.150 nan 0.000 0.492 728 K N 0.383 120.776 120.400 -0.013 0.000 2.091 728 K HA -0.278 4.024 4.320 -0.029 0.000 0.225 728 K C 1.044 177.667 176.600 0.038 0.000 1.028 728 K CA 2.459 58.750 56.287 0.008 0.000 0.965 728 K CB -0.560 31.943 32.500 0.006 0.000 0.786 728 K HN 0.859 nan 8.250 nan 0.000 0.459 729 G N 0.397 109.226 108.800 0.048 0.000 4.433 729 G HA2 0.277 4.220 3.960 -0.029 0.000 0.304 729 G HA3 0.277 4.220 3.960 -0.029 0.000 0.304 729 G C -0.786 174.177 174.900 0.105 0.000 1.254 729 G CA -0.433 44.711 45.100 0.073 0.000 0.999 729 G HN 0.192 nan 8.290 nan 0.000 0.576 730 S N 0.271 116.059 115.700 0.147 0.000 2.669 730 S HA 0.764 5.217 4.470 -0.029 0.000 0.270 730 S C 0.238 175.039 174.600 0.336 0.000 1.225 730 S CA -0.186 58.146 58.200 0.220 0.000 0.991 730 S CB 1.382 64.716 63.200 0.223 0.000 0.987 730 S HN 0.622 nan 8.310 nan 0.000 0.552 731 T N 0.025 114.772 114.554 0.321 0.000 3.295 731 T HA 0.520 4.853 4.350 -0.029 0.000 0.331 731 T C -1.419 173.387 174.700 0.177 0.000 1.142 731 T CA -0.651 61.571 62.100 0.203 0.000 1.078 731 T CB 0.798 69.797 68.868 0.218 0.000 1.150 731 T HN 0.316 nan 8.240 nan 0.000 0.465 732 L N 3.534 124.717 121.223 -0.067 0.000 2.325 732 L HA 0.730 5.053 4.340 -0.029 0.000 0.281 732 L C -1.236 175.616 176.870 -0.031 0.000 1.004 732 L CA -1.040 53.807 54.840 0.013 0.000 0.823 732 L CB 1.014 43.090 42.059 0.029 0.000 1.236 732 L HN 0.803 nan 8.230 nan 0.000 0.415 733 I N 6.027 126.621 120.570 0.040 0.000 2.355 733 I HA 0.381 4.534 4.170 -0.029 0.000 0.288 733 I C -0.652 175.448 176.117 -0.028 0.000 0.999 733 I CA -0.958 60.327 61.300 -0.025 0.000 1.163 733 I CB 1.720 39.680 38.000 -0.067 0.000 1.316 733 I HN 0.261 nan 8.210 nan 0.000 0.454 734 V N 6.950 126.809 119.914 -0.091 0.000 2.350 734 V HA 0.482 4.585 4.120 -0.029 0.000 0.276 734 V C 0.021 176.037 176.094 -0.131 0.000 1.028 734 V CA -0.626 61.553 62.300 -0.201 0.000 0.860 734 V CB 1.413 33.020 31.823 -0.359 0.000 0.990 734 V HN 0.428 nan 8.190 nan 0.000 0.453 735 V N 6.874 126.735 119.914 -0.088 0.000 2.789 735 V HA 0.554 4.657 4.120 -0.029 0.000 0.311 735 V C -2.355 173.819 176.094 0.132 0.000 1.073 735 V CA -1.773 60.549 62.300 0.037 0.000 0.921 735 V CB 3.189 35.016 31.823 0.005 0.000 1.009 735 V HN 0.741 nan 8.190 nan 0.000 0.426 736 P HA 0.513 nan 4.420 nan 0.000 0.282 736 P C -1.222 176.248 177.300 0.283 0.000 1.249 736 P CA -0.225 63.076 63.100 0.334 0.000 0.806 736 P CB 1.369 33.233 31.700 0.274 0.000 0.984 737 F N 1.211 121.196 119.950 0.058 0.000 2.740 737 F HA 0.330 4.839 4.527 -0.029 0.000 0.312 737 F C -2.389 173.439 175.800 0.047 0.000 1.121 737 F CA -0.737 57.284 58.000 0.034 0.000 0.977 737 F CB 1.449 40.468 39.000 0.031 0.000 1.265 737 F HN 0.222 nan 8.300 nan 0.000 0.443 738 N N 4.732 122.913 118.700 -0.865 0.000 2.491 738 N HA 0.163 4.886 4.740 -0.029 0.000 0.274 738 N C -0.118 174.796 175.510 -0.993 0.000 1.023 738 N CA -0.287 52.417 53.050 -0.576 0.000 0.902 738 N CB 2.060 40.412 38.487 -0.226 0.000 1.267 738 N HN 1.024 nan 8.380 nan 0.000 0.503 739 Q N 1.607 121.053 119.800 -0.591 0.000 2.522 739 Q HA -0.021 4.302 4.340 -0.029 0.000 0.216 739 Q C 0.795 176.649 176.000 -0.243 0.000 0.986 739 Q CA 0.939 56.590 55.803 -0.252 0.000 0.901 739 Q CB 0.040 28.883 28.738 0.174 0.000 0.954 739 Q HN 0.690 nan 8.270 nan 0.000 0.502 740 G N -0.506 108.129 108.800 -0.276 0.000 2.572 740 G HA2 0.220 4.163 3.960 -0.029 0.000 0.261 740 G HA3 0.220 4.163 3.960 -0.029 0.000 0.261 740 G C -0.791 174.047 174.900 -0.103 0.000 1.197 740 G CA 0.003 44.986 45.100 -0.196 0.000 0.870 740 G HN 0.219 nan 8.290 nan 0.000 0.548 741 S N -0.108 115.568 115.700 -0.041 0.000 3.798 741 S HA -0.194 4.258 4.470 -0.029 0.000 0.351 741 S C 1.749 176.326 174.600 -0.040 0.000 0.789 741 S CA 1.319 59.505 58.200 -0.023 0.000 1.322 741 S CB -0.827 62.373 63.200 -0.000 0.000 1.663 741 S HN 1.236 nan 8.310 nan 0.000 0.521 742 K N 4.570 124.957 120.400 -0.022 0.000 2.471 742 K HA -0.368 3.935 4.320 -0.029 0.000 0.228 742 K C 1.429 178.032 176.600 0.004 0.000 0.710 742 K CA 1.849 58.137 56.287 0.001 0.000 0.900 742 K CB -1.155 31.346 32.500 0.001 0.000 0.385 742 K HN 0.801 nan 8.250 nan 0.000 0.972 743 Q N 1.026 120.830 119.800 0.006 0.000 2.687 743 Q HA -0.385 3.937 4.340 -0.029 0.000 0.467 743 Q C 1.750 177.771 176.000 0.034 0.000 0.501 743 Q CA 2.644 58.453 55.803 0.009 0.000 1.020 743 Q CB -1.821 26.910 28.738 -0.010 0.000 1.707 743 Q HN 0.853 nan 8.270 nan 0.000 1.103 744 D N 0.228 120.629 120.400 0.002 0.000 2.248 744 D HA -0.243 4.379 4.640 -0.029 0.000 0.191 744 D C 1.727 178.157 176.300 0.216 0.000 1.013 744 D CA 2.336 56.349 54.000 0.021 0.000 0.883 744 D CB -0.537 40.155 40.800 -0.180 0.000 0.915 744 D HN 0.270 nan 8.370 nan 0.000 0.448 745 V N 1.892 121.931 119.914 0.207 0.000 2.227 745 V HA -0.240 3.863 4.120 -0.029 0.000 0.238 745 V C 2.612 178.829 176.094 0.204 0.000 1.039 745 V CA 1.973 64.497 62.300 0.374 0.000 0.990 745 V CB -0.721 31.232 31.823 0.218 0.000 0.635 745 V HN 0.155 nan 8.190 nan 0.000 0.453 746 E N 0.282 120.546 120.200 0.106 0.000 2.233 746 E HA -0.354 3.978 4.350 -0.029 0.000 0.210 746 E C 2.117 178.761 176.600 0.073 0.000 1.046 746 E CA 1.791 58.226 56.400 0.058 0.000 0.844 746 E CB -0.347 29.369 29.700 0.028 0.000 0.741 746 E HN 0.629 nan 8.360 nan 0.000 0.465 747 A N 0.855 123.737 122.820 0.104 0.000 1.903 747 A HA -0.067 4.236 4.320 -0.029 0.000 0.213 747 A C 2.097 179.785 177.584 0.173 0.000 1.185 747 A CA 0.548 52.656 52.037 0.117 0.000 0.628 747 A CB -0.395 18.661 19.000 0.094 0.000 0.830 747 A HN 0.182 nan 8.150 nan 0.000 0.446 748 L N 0.647 121.990 121.223 0.199 0.000 1.956 748 L HA -0.210 4.112 4.340 -0.029 0.000 0.216 748 L C 2.177 179.145 176.870 0.163 0.000 1.073 748 L CA 1.952 56.903 54.840 0.184 0.000 0.762 748 L CB -0.813 41.298 42.059 0.086 0.000 0.889 748 L HN 0.363 nan 8.230 nan 0.000 0.433 749 I N -0.106 120.528 120.570 0.106 0.000 2.091 749 I HA -0.358 3.795 4.170 -0.029 0.000 0.240 749 I C 2.552 178.746 176.117 0.127 0.000 1.046 749 I CA 1.982 63.342 61.300 0.099 0.000 1.306 749 I CB -1.432 36.586 38.000 0.029 0.000 1.018 749 I HN 0.493 nan 8.210 nan 0.000 0.404 750 E N 1.521 121.773 120.200 0.086 0.000 2.037 750 E HA -0.339 3.994 4.350 -0.029 0.000 0.214 750 E C 2.223 178.899 176.600 0.126 0.000 1.041 750 E CA 2.020 58.466 56.400 0.077 0.000 0.872 750 E CB -1.056 28.691 29.700 0.078 0.000 0.785 750 E HN 0.323 nan 8.360 nan 0.000 0.476 751 F N 0.838 120.802 119.950 0.024 0.000 2.167 751 F HA -0.228 4.282 4.527 -0.029 0.000 0.301 751 F C 1.937 177.716 175.800 -0.035 0.000 1.066 751 F CA 1.906 59.900 58.000 -0.011 0.000 1.285 751 F CB -0.267 38.715 39.000 -0.030 0.000 1.032 751 F HN 0.191 nan 8.300 nan 0.000 0.495 752 I N -1.617 118.850 120.570 -0.172 0.000 2.676 752 I HA -0.257 3.896 4.170 -0.029 0.000 0.259 752 I C 1.386 177.386 176.117 -0.195 0.000 1.194 752 I CA 0.908 62.044 61.300 -0.273 0.000 1.473 752 I CB -0.504 37.503 38.000 0.012 0.000 1.096 752 I HN 0.138 nan 8.210 nan 0.000 0.443 753 Y N -0.329 119.850 120.300 -0.202 0.000 2.558 753 Y HA 0.163 4.696 4.550 -0.029 0.000 0.273 753 Y C 1.234 177.054 175.900 -0.133 0.000 1.100 753 Y CA -0.556 57.475 58.100 -0.115 0.000 1.276 753 Y CB -0.128 38.309 38.460 -0.039 0.000 1.196 753 Y HN -0.019 nan 8.280 nan 0.000 0.527 754 D N 0.862 121.268 120.400 0.010 0.000 2.474 754 D HA -0.057 4.565 4.640 -0.029 0.000 0.232 754 D C 0.007 176.256 176.300 -0.085 0.000 1.177 754 D CA 0.799 54.783 54.000 -0.027 0.000 0.876 754 D CB 0.890 41.675 40.800 -0.026 0.000 1.208 754 D HN 0.061 nan 8.370 nan 0.000 0.464 755 T N 2.471 117.000 114.554 -0.041 0.000 2.918 755 T HA 0.018 4.351 4.350 -0.029 0.000 0.302 755 T C 1.466 176.128 174.700 -0.065 0.000 1.045 755 T CA -0.338 61.734 62.100 -0.046 0.000 1.114 755 T CB 0.694 69.555 68.868 -0.012 0.000 0.965 755 T HN 0.290 nan 8.240 nan 0.000 0.540 756 E N 1.455 121.612 120.200 -0.071 0.000 2.209 756 E HA -0.167 4.165 4.350 -0.029 0.000 0.196 756 E C 1.789 178.373 176.600 -0.025 0.000 0.993 756 E CA 0.976 57.337 56.400 -0.064 0.000 0.819 756 E CB 0.026 29.697 29.700 -0.049 0.000 0.745 756 E HN 0.514 nan 8.360 nan 0.000 0.477 757 K N 0.349 120.740 120.400 -0.014 0.000 2.439 757 K HA -0.010 4.293 4.320 -0.029 0.000 0.197 757 K C 0.900 177.503 176.600 0.004 0.000 1.041 757 K CA 0.485 56.772 56.287 -0.001 0.000 0.970 757 K CB 0.046 32.547 32.500 0.003 0.000 0.773 757 K HN 0.209 nan 8.250 nan 0.000 0.479 758 N N -1.442 117.258 118.700 0.000 0.000 2.191 758 N HA 0.082 4.805 4.740 -0.029 0.000 0.183 758 N C 1.427 176.951 175.510 0.024 0.000 1.474 758 N CA -0.239 52.819 53.050 0.012 0.000 1.043 758 N CB -0.166 38.327 38.487 0.011 0.000 1.332 758 N HN -0.074 nan 8.380 nan 0.000 0.321 759 G N -0.351 108.472 108.800 0.038 0.000 2.587 759 G HA2 0.256 4.199 3.960 -0.029 0.000 0.217 759 G HA3 0.256 4.199 3.960 -0.029 0.000 0.217 759 G C 0.521 175.462 174.900 0.068 0.000 1.240 759 G CA 1.378 46.542 45.100 0.107 0.000 0.794 759 G HN 0.814 nan 8.290 nan 0.000 0.580 760 G N -2.311 106.410 108.800 -0.130 0.000 2.340 760 G HA2 0.411 4.354 3.960 -0.029 0.000 0.282 760 G HA3 0.411 4.354 3.960 -0.029 0.000 0.282 760 G C -0.258 174.265 174.900 -0.629 0.000 1.312 760 G CA -0.092 44.852 45.100 -0.259 0.000 0.942 760 G HN 1.564 nan 8.290 nan 0.000 0.495 761 L N -0.621 120.181 121.223 -0.701 0.000 3.664 761 L HA -0.009 4.313 4.340 -0.029 0.000 0.560 761 L C 1.105 177.494 176.870 -0.801 0.000 1.285 761 L CA 1.610 55.790 54.840 -1.100 0.000 0.864 761 L CB -1.077 40.120 42.059 -1.436 0.000 1.512 761 L HN 2.259 nan 8.230 nan 0.000 0.853 762 G N 1.758 110.302 108.800 -0.426 0.000 3.090 762 G HA2 0.244 4.187 3.960 -0.029 0.000 0.259 762 G HA3 0.244 4.187 3.960 -0.029 0.000 0.259 762 G C 0.134 175.108 174.900 0.123 0.000 0.797 762 G CA -0.157 44.870 45.100 -0.123 0.000 2.032 762 G HN 0.482 nan 8.290 nan 0.000 0.614 763 W N -0.822 120.245 121.300 -0.388 0.000 3.139 763 W HA 0.546 5.189 4.660 -0.028 0.000 0.399 763 W C 0.553 176.733 176.519 -0.566 0.000 1.484 763 W CA -1.116 55.934 57.345 -0.492 0.000 1.287 763 W CB 0.954 30.018 29.460 -0.661 0.000 1.948 763 W HN 0.197 nan 8.180 nan 0.000 0.668 764 D N -0.882 119.385 120.400 -0.222 0.000 2.399 764 D HA 0.047 4.670 4.640 -0.029 0.000 0.269 764 D C -0.379 175.771 176.300 -0.249 0.000 1.105 764 D CA 0.007 53.782 54.000 -0.374 0.000 0.844 764 D CB 0.778 41.574 40.800 -0.007 0.000 1.372 764 D HN 0.259 nan 8.370 nan 0.000 0.517 765 L N 1.741 122.976 121.223 0.020 0.000 2.728 765 L HA -0.160 4.163 4.340 -0.029 0.000 0.527 765 L C -0.505 176.442 176.870 0.129 0.000 1.002 765 L CA 0.506 55.419 54.840 0.122 0.000 1.273 765 L CB -0.207 41.914 42.059 0.103 0.000 1.435 765 L HN 0.005 nan 8.230 nan 0.000 0.711 766 D N 3.926 124.386 120.400 0.101 0.000 2.398 766 D HA 0.548 5.171 4.640 -0.029 0.000 0.210 766 D C 0.390 176.714 176.300 0.039 0.000 1.094 766 D CA 0.908 54.933 54.000 0.042 0.000 0.839 766 D CB 0.777 41.548 40.800 -0.049 0.000 0.963 766 D HN 0.769 nan 8.370 nan 0.000 0.506 767 A N 0.641 123.492 122.820 0.052 0.000 2.582 767 A HA 0.581 4.884 4.320 -0.029 0.000 0.297 767 A C -1.523 176.092 177.584 0.053 0.000 1.059 767 A CA -0.569 51.491 52.037 0.039 0.000 0.705 767 A CB 1.066 20.053 19.000 -0.021 0.000 1.279 767 A HN 0.026 nan 8.150 nan 0.000 0.404 768 I N 2.191 122.801 120.570 0.067 0.000 2.465 768 I HA 0.505 4.658 4.170 -0.029 0.000 0.291 768 I C -0.550 175.630 176.117 0.106 0.000 1.014 768 I CA -0.407 60.939 61.300 0.077 0.000 1.093 768 I CB 2.032 40.082 38.000 0.083 0.000 1.267 768 I HN 0.656 nan 8.210 nan 0.000 0.431 769 I N 8.485 129.123 120.570 0.113 0.000 2.668 769 I HA 0.367 4.520 4.170 -0.029 0.000 0.276 769 I C -2.358 173.964 176.117 0.341 0.000 1.139 769 I CA -1.980 59.447 61.300 0.211 0.000 1.133 769 I CB 1.389 39.354 38.000 -0.058 0.000 1.327 769 I HN 0.291 nan 8.210 nan 0.000 0.520 770 P HA 0.152 nan 4.420 nan 0.000 0.230 770 P C -1.023 176.481 177.300 0.340 0.000 1.791 770 P CA 0.005 63.281 63.100 0.293 0.000 1.020 770 P CB -0.531 31.236 31.700 0.111 0.000 1.977 771 F N 1.433 121.399 119.950 0.027 0.000 2.350 771 F HA 0.440 4.950 4.527 -0.029 0.000 0.365 771 F C 1.578 177.404 175.800 0.042 0.000 1.122 771 F CA -1.361 56.659 58.000 0.033 0.000 1.139 771 F CB 0.103 39.120 39.000 0.029 0.000 1.220 771 F HN 0.218 nan 8.300 nan 0.000 0.499 772 A N 2.871 125.769 122.820 0.129 0.000 2.748 772 A HA 0.519 4.822 4.320 -0.029 0.000 0.705 772 A C 0.795 178.437 177.584 0.097 0.000 1.002 772 A CA 1.271 53.361 52.037 0.089 0.000 2.322 772 A CB -0.608 18.413 19.000 0.035 0.000 1.310 772 A HN 1.217 nan 8.150 nan 0.000 0.751 773 A N -4.249 118.605 122.820 0.057 0.000 3.269 773 A HA 0.523 4.826 4.320 -0.029 0.000 0.296 773 A C -0.527 177.074 177.584 0.029 0.000 1.061 773 A CA 0.051 52.115 52.037 0.045 0.000 0.577 773 A CB -0.343 18.700 19.000 0.072 0.000 1.557 773 A HN 2.103 nan 8.150 nan 0.000 0.712 774 I N -0.387 120.206 120.570 0.038 0.000 8.987 774 I HA -0.136 4.017 4.170 -0.029 0.000 0.126 774 I C -1.634 174.475 176.117 -0.014 0.000 1.864 774 I CA 0.718 62.047 61.300 0.048 0.000 2.042 774 I CB -1.162 36.909 38.000 0.118 0.000 3.930 774 I HN 0.822 nan 8.210 nan 0.000 0.170 775 P HA 0.070 nan 4.420 nan 0.000 0.224 775 P C -0.797 176.467 177.300 -0.061 0.000 1.190 775 P CA 0.733 63.792 63.100 -0.068 0.000 0.644 775 P CB 0.438 32.110 31.700 -0.046 0.000 0.895 776 E N -1.205 118.977 120.200 -0.029 0.000 7.430 776 E HA -0.013 4.320 4.350 -0.029 0.000 0.193 776 E C -1.102 175.487 176.600 -0.018 0.000 0.907 776 E CA -0.033 56.368 56.400 0.001 0.000 1.679 776 E CB -1.392 28.321 29.700 0.023 0.000 0.895 776 E HN 0.416 nan 8.360 nan 0.000 0.270 777 Q N -0.217 119.583 119.800 -0.000 0.000 2.340 777 Q HA 0.580 4.903 4.340 -0.029 0.000 0.276 777 Q C 0.536 176.553 176.000 0.029 0.000 1.048 777 Q CA -0.329 55.474 55.803 0.000 0.000 0.832 777 Q CB 2.214 30.940 28.738 -0.020 0.000 1.373 777 Q HN 0.678 nan 8.270 nan 0.000 0.409 778 G N 1.541 110.367 108.800 0.044 0.000 2.160 778 G HA2 -0.242 3.701 3.960 -0.029 0.000 0.251 778 G HA3 -0.242 3.701 3.960 -0.029 0.000 0.251 778 G C -0.058 174.904 174.900 0.104 0.000 1.008 778 G CA 0.568 45.708 45.100 0.068 0.000 0.724 778 G HN 0.619 nan 8.290 nan 0.000 0.514 779 I N -2.369 118.255 120.570 0.089 0.000 2.437 779 I HA 0.658 4.811 4.170 -0.029 0.000 0.279 779 I C 0.095 176.248 176.117 0.060 0.000 1.028 779 I CA -1.127 60.234 61.300 0.101 0.000 1.142 779 I CB 1.009 39.064 38.000 0.092 0.000 1.266 779 I HN 0.018 nan 8.210 nan 0.000 0.461 780 E N 3.581 123.791 120.200 0.017 0.000 2.359 780 E HA 0.285 4.618 4.350 -0.029 0.000 0.255 780 E C 0.890 177.460 176.600 -0.050 0.000 1.191 780 E CA -0.805 55.584 56.400 -0.020 0.000 0.952 780 E CB 1.956 31.624 29.700 -0.054 0.000 1.152 780 E HN 0.645 nan 8.360 nan 0.000 0.496 781 L N 0.814 122.014 121.223 -0.038 0.000 2.030 781 L HA -0.340 3.983 4.340 -0.029 0.000 0.222 781 L C 1.805 178.631 176.870 -0.073 0.000 1.082 781 L CA 1.765 56.586 54.840 -0.032 0.000 0.785 781 L CB -0.345 41.700 42.059 -0.024 0.000 0.895 781 L HN 0.624 nan 8.230 nan 0.000 0.439 782 E N -0.681 119.419 120.200 -0.166 0.000 1.907 782 E HA -0.243 4.090 4.350 -0.029 0.000 0.234 782 E C 0.450 176.946 176.600 -0.174 0.000 0.881 782 E CA 1.436 57.675 56.400 -0.268 0.000 0.985 782 E CB -0.563 28.741 29.700 -0.660 0.000 0.795 782 E HN 0.487 nan 8.360 nan 0.000 0.595 783 H N 0.258 119.342 119.070 0.024 0.000 3.070 783 H HA 0.079 4.618 4.556 -0.029 0.000 0.313 783 H C 0.756 176.101 175.328 0.029 0.000 0.997 783 H CA 0.877 56.939 56.048 0.022 0.000 1.438 783 H CB 0.808 30.582 29.762 0.020 0.000 1.455 783 H HN 0.398 nan 8.280 nan 0.000 0.575 784 I N 1.011 121.653 120.570 0.120 0.000 5.422 784 I HA -0.049 4.103 4.170 -0.029 0.000 0.352 784 I C -0.234 175.928 176.117 0.076 0.000 1.144 784 I CA -0.140 61.212 61.300 0.087 0.000 1.603 784 I CB 0.420 38.456 38.000 0.061 0.000 1.902 784 I HN 0.550 nan 8.210 nan 0.000 0.651 785 D N 2.550 122.988 120.400 0.062 0.000 2.278 785 D HA 0.154 4.777 4.640 -0.029 0.000 0.234 785 D C 0.984 177.316 176.300 0.053 0.000 1.344 785 D CA 1.000 55.030 54.000 0.049 0.000 0.892 785 D CB 0.287 41.107 40.800 0.034 0.000 1.204 785 D HN 0.663 nan 8.370 nan 0.000 0.489 786 S N -0.939 114.789 115.700 0.047 0.000 3.790 786 S HA -0.473 3.980 4.470 -0.029 0.000 0.628 786 S C 1.305 175.958 174.600 0.089 0.000 2.348 786 S CA 1.074 59.301 58.200 0.045 0.000 3.927 786 S CB -1.479 61.728 63.200 0.012 0.000 0.236 786 S HN 1.008 nan 8.310 nan 0.000 0.953 787 K N 0.220 120.658 120.400 0.065 0.000 2.248 787 K HA -0.341 3.961 4.320 -0.029 0.000 0.216 787 K C 2.356 179.076 176.600 0.200 0.000 0.902 787 K CA 2.940 59.296 56.287 0.116 0.000 0.975 787 K CB -1.093 31.446 32.500 0.065 0.000 1.016 787 K HN 0.572 nan 8.250 nan 0.000 0.508 788 S N 0.072 115.859 115.700 0.145 0.000 2.377 788 S HA -0.264 4.189 4.470 -0.029 0.000 0.224 788 S C 1.795 176.508 174.600 0.188 0.000 1.042 788 S CA 1.953 60.246 58.200 0.154 0.000 1.086 788 S CB -0.448 62.828 63.200 0.127 0.000 0.995 788 S HN 0.492 nan 8.310 nan 0.000 0.428 789 E N 0.275 120.566 120.200 0.151 0.000 2.086 789 E HA -0.246 4.086 4.350 -0.029 0.000 0.205 789 E C 1.738 178.437 176.600 0.165 0.000 1.027 789 E CA 1.598 58.065 56.400 0.112 0.000 0.830 789 E CB -0.363 29.378 29.700 0.069 0.000 0.751 789 E HN 0.429 nan 8.360 nan 0.000 0.456 790 F N 0.997 120.967 119.950 0.033 0.000 2.000 790 F HA -0.261 4.249 4.527 -0.029 0.000 0.296 790 F C 2.145 177.980 175.800 0.058 0.000 1.159 790 F CA 2.087 60.103 58.000 0.027 0.000 1.183 790 F CB -1.295 37.714 39.000 0.014 0.000 0.959 790 F HN 0.157 nan 8.300 nan 0.000 0.490 791 A N 0.422 123.320 122.820 0.131 0.000 1.891 791 A HA -0.437 3.866 4.320 -0.029 0.000 0.221 791 A C 2.351 179.932 177.584 -0.004 0.000 1.394 791 A CA 2.549 54.589 52.037 0.005 0.000 0.730 791 A CB -2.070 17.004 19.000 0.123 0.000 0.845 791 A HN 0.780 nan 8.150 nan 0.000 0.471 792 H N 0.127 119.186 119.070 -0.018 0.000 2.391 792 H HA -0.259 4.280 4.556 -0.029 0.000 0.283 792 H C 2.212 177.501 175.328 -0.065 0.000 1.132 792 H CA 2.705 58.739 56.048 -0.023 0.000 1.154 792 H CB -0.250 29.512 29.762 0.001 0.000 1.351 792 H HN 0.612 nan 8.280 nan 0.000 0.474 793 R N 0.139 120.701 120.500 0.104 0.000 2.055 793 R HA -0.042 4.281 4.340 -0.029 0.000 0.226 793 R C 2.834 179.070 176.300 -0.107 0.000 1.135 793 R CA 1.177 57.273 56.100 -0.007 0.000 0.959 793 R CB -0.568 29.687 30.300 -0.076 0.000 0.854 793 R HN 0.419 nan 8.270 nan 0.000 0.431 794 I N 0.693 121.097 120.570 -0.278 0.000 2.567 794 I HA -0.212 3.941 4.170 -0.029 0.000 0.257 794 I C 2.041 178.077 176.117 -0.136 0.000 1.184 794 I CA 1.061 62.179 61.300 -0.304 0.000 1.451 794 I CB 0.180 37.817 38.000 -0.605 0.000 1.089 794 I HN 0.273 nan 8.210 nan 0.000 0.441 795 M N -0.631 118.910 119.600 -0.098 0.000 2.561 795 M HA 0.079 4.542 4.480 -0.029 0.000 0.238 795 M C 0.888 177.152 176.300 -0.060 0.000 1.131 795 M CA 0.777 56.047 55.300 -0.051 0.000 1.046 795 M CB 0.262 32.846 32.600 -0.027 0.000 1.532 795 M HN 0.437 nan 8.290 nan 0.000 0.497 796 L N -6.383 114.814 121.223 -0.043 0.000 1.848 796 L HA 0.324 4.647 4.340 -0.029 0.000 0.113 796 L C 1.306 178.162 176.870 -0.024 0.000 1.456 796 L CA -0.031 54.784 54.840 -0.041 0.000 1.065 796 L CB -0.675 41.356 42.059 -0.045 0.000 2.149 796 L HN -0.203 nan 8.230 nan 0.000 0.462 797 T N 2.005 116.560 114.554 0.003 0.000 2.238 797 T HA -0.247 4.086 4.350 -0.029 0.000 0.209 797 T C 1.520 176.205 174.700 -0.025 0.000 1.608 797 T CA 2.972 65.067 62.100 -0.009 0.000 1.140 797 T CB -0.936 67.928 68.868 -0.007 0.000 0.854 797 T HN 0.604 nan 8.240 nan 0.000 0.402 798 N N 1.630 120.316 118.700 -0.024 0.000 2.089 798 N HA -0.159 4.564 4.740 -0.029 0.000 0.198 798 N C 1.987 177.498 175.510 0.001 0.000 1.017 798 N CA 1.814 54.861 53.050 -0.005 0.000 0.880 798 N CB -0.807 37.687 38.487 0.013 0.000 1.042 798 N HN 0.509 nan 8.380 nan 0.000 0.446 799 I N 1.472 122.042 120.570 -0.001 0.000 2.113 799 I HA -0.301 3.852 4.170 -0.029 0.000 0.242 799 I C 2.337 178.427 176.117 -0.045 0.000 1.064 799 I CA 1.105 62.400 61.300 -0.009 0.000 1.320 799 I CB -0.606 37.379 38.000 -0.024 0.000 1.028 799 I HN 0.080 nan 8.210 nan 0.000 0.406 800 L N 0.542 121.727 121.223 -0.063 0.000 1.951 800 L HA -0.294 4.029 4.340 -0.029 0.000 0.222 800 L C 2.743 179.540 176.870 -0.120 0.000 1.078 800 L CA 2.153 56.929 54.840 -0.105 0.000 0.778 800 L CB -1.455 40.552 42.059 -0.087 0.000 0.893 800 L HN 0.298 nan 8.230 nan 0.000 0.436 801 R N -0.858 119.592 120.500 -0.084 0.000 2.140 801 R HA -0.227 4.096 4.340 -0.029 0.000 0.250 801 R C 2.449 178.708 176.300 -0.067 0.000 1.150 801 R CA 1.749 57.804 56.100 -0.075 0.000 0.966 801 R CB -0.201 30.075 30.300 -0.040 0.000 0.869 801 R HN 0.290 nan 8.270 nan 0.000 0.445 802 M N -0.305 119.274 119.600 -0.035 0.000 2.163 802 M HA -0.334 4.129 4.480 -0.029 0.000 0.258 802 M C 2.314 178.583 176.300 -0.053 0.000 1.071 802 M CA 2.185 57.476 55.300 -0.015 0.000 1.093 802 M CB -0.312 32.292 32.600 0.008 0.000 1.285 802 M HN 0.293 nan 8.290 nan 0.000 0.420 803 M N -0.747 118.799 119.600 -0.089 0.000 2.082 803 M HA -0.181 4.282 4.480 -0.029 0.000 0.258 803 M C 2.234 178.422 176.300 -0.186 0.000 1.071 803 M CA 1.969 57.187 55.300 -0.138 0.000 1.103 803 M CB -1.443 31.015 32.600 -0.236 0.000 1.307 803 M HN 0.490 nan 8.290 nan 0.000 0.409 804 G N 0.448 109.113 108.800 -0.226 0.000 2.719 804 G HA2 -0.313 3.630 3.960 -0.029 0.000 0.219 804 G HA3 -0.313 3.630 3.960 -0.029 0.000 0.219 804 G C 1.499 176.306 174.900 -0.155 0.000 1.234 804 G CA 1.609 46.578 45.100 -0.219 0.000 0.788 804 G HN 0.557 nan 8.290 nan 0.000 0.619 805 C N -0.105 119.126 119.300 -0.116 0.000 2.385 805 C HA -0.092 4.351 4.460 -0.029 0.000 0.275 805 C C 3.136 178.034 174.990 -0.154 0.000 1.207 805 C CA 1.000 59.950 59.018 -0.114 0.000 1.760 805 C CB -1.316 26.378 27.740 -0.077 0.000 2.051 805 C HN 0.335 nan 8.230 nan 0.000 0.467 806 V N 1.828 121.673 119.914 -0.116 0.000 2.332 806 V HA -0.253 3.850 4.120 -0.029 0.000 0.248 806 V C 2.624 178.663 176.094 -0.091 0.000 1.055 806 V CA 2.134 64.376 62.300 -0.096 0.000 1.038 806 V CB -0.858 30.983 31.823 0.029 0.000 0.651 806 V HN 0.514 nan 8.190 nan 0.000 0.450 807 K N 1.313 121.664 120.400 -0.083 0.000 1.977 807 K HA -0.284 4.019 4.320 -0.029 0.000 0.218 807 K C 2.201 178.764 176.600 -0.062 0.000 1.051 807 K CA 2.499 58.756 56.287 -0.050 0.000 0.953 807 K CB -0.543 31.888 32.500 -0.115 0.000 0.727 807 K HN 0.349 nan 8.250 nan 0.000 0.445 808 K N 1.098 121.441 120.400 -0.096 0.000 1.988 808 K HA -0.253 4.050 4.320 -0.029 0.000 0.221 808 K C 2.269 178.794 176.600 -0.124 0.000 1.053 808 K CA 2.373 58.605 56.287 -0.091 0.000 0.959 808 K CB -0.944 31.498 32.500 -0.096 0.000 0.728 808 K HN 0.241 nan 8.250 nan 0.000 0.447 809 Q N 0.625 120.289 119.800 -0.226 0.000 2.105 809 Q HA -0.269 4.054 4.340 -0.029 0.000 0.217 809 Q C 1.790 177.646 176.000 -0.240 0.000 1.029 809 Q CA 2.623 58.192 55.803 -0.390 0.000 0.899 809 Q CB -0.240 27.951 28.738 -0.911 0.000 1.000 809 Q HN 0.445 nan 8.270 nan 0.000 0.414 810 K N -0.986 119.338 120.400 -0.127 0.000 1.965 810 K HA -0.089 4.214 4.320 -0.029 0.000 0.214 810 K C 2.168 178.791 176.600 0.039 0.000 1.042 810 K CA 1.167 57.495 56.287 0.068 0.000 0.950 810 K CB -0.739 31.841 32.500 0.133 0.000 0.733 810 K HN 0.230 nan 8.250 nan 0.000 0.441 811 S N 0.757 116.473 115.700 0.026 0.000 2.432 811 S HA -0.311 4.142 4.470 -0.029 0.000 0.243 811 S C 1.858 176.464 174.600 0.010 0.000 1.069 811 S CA 1.588 59.802 58.200 0.023 0.000 1.047 811 S CB -0.391 62.819 63.200 0.017 0.000 0.854 811 S HN 0.412 nan 8.310 nan 0.000 0.474 812 A N 1.908 124.722 122.820 -0.010 0.000 1.829 812 A HA -0.149 4.154 4.320 -0.029 0.000 0.216 812 A C 2.193 179.784 177.584 0.012 0.000 1.207 812 A CA 1.777 53.807 52.037 -0.011 0.000 0.622 812 A CB -0.960 18.019 19.000 -0.035 0.000 0.846 812 A HN 0.681 nan 8.150 nan 0.000 0.447 813 R N -1.525 118.992 120.500 0.028 0.000 2.097 813 R HA -0.001 4.322 4.340 -0.029 0.000 0.236 813 R C 1.435 177.761 176.300 0.043 0.000 1.135 813 R CA 1.408 57.535 56.100 0.045 0.000 0.934 813 R CB -0.376 29.971 30.300 0.078 0.000 0.846 813 R HN 0.853 nan 8.270 nan 0.000 0.431 814 G N -0.981 107.849 108.800 0.050 0.000 3.216 814 G HA2 -0.047 3.896 3.960 -0.029 0.000 0.221 814 G HA3 -0.047 3.896 3.960 -0.029 0.000 0.221 814 G C 0.019 174.950 174.900 0.053 0.000 0.949 814 G CA -0.693 44.433 45.100 0.043 0.000 0.952 814 G HN 0.040 nan 8.290 nan 0.000 0.657 815 I N 2.017 122.630 120.570 0.072 0.000 3.309 815 I HA 0.134 4.287 4.170 -0.029 0.000 0.287 815 I C 1.142 177.305 176.117 0.076 0.000 1.221 815 I CA 0.259 61.609 61.300 0.084 0.000 1.575 815 I CB -0.982 37.094 38.000 0.126 0.000 1.254 815 I HN 0.306 nan 8.210 nan 0.000 0.600 816 E N 1.166 121.400 120.200 0.056 0.000 2.403 816 E HA 0.006 4.339 4.350 -0.029 0.000 0.187 816 E C 0.781 177.407 176.600 0.044 0.000 1.073 816 E CA 0.179 56.608 56.400 0.048 0.000 0.888 816 E CB 0.259 29.978 29.700 0.031 0.000 1.035 816 E HN 0.496 nan 8.360 nan 0.000 0.471 817 T N -1.681 112.903 114.554 0.050 0.000 3.584 817 T HA 0.326 4.659 4.350 -0.029 0.000 0.259 817 T C 0.098 174.827 174.700 0.050 0.000 1.009 817 T CA -0.743 61.385 62.100 0.045 0.000 1.103 817 T CB 0.031 68.919 68.868 0.034 0.000 1.099 817 T HN 0.052 nan 8.240 nan 0.000 0.539 818 R N 1.019 121.557 120.500 0.064 0.000 2.447 818 R HA 0.161 4.484 4.340 -0.029 0.000 0.153 818 R C -3.006 173.347 176.300 0.089 0.000 1.142 818 R CA -0.608 55.530 56.100 0.063 0.000 0.926 818 R CB 0.471 30.800 30.300 0.048 0.000 1.295 818 R HN 0.325 nan 8.270 nan 0.000 0.683 819 P HA 0.093 nan 4.420 nan 0.000 0.272 819 P C -0.671 176.711 177.300 0.137 0.000 1.243 819 P CA 0.019 63.207 63.100 0.148 0.000 0.803 819 P CB 0.758 32.569 31.700 0.186 0.000 0.974 820 A N 0.083 123.000 122.820 0.163 0.000 2.365 820 A HA 0.382 4.685 4.320 -0.029 0.000 0.318 820 A C -0.128 177.544 177.584 0.146 0.000 1.091 820 A CA -0.720 51.397 52.037 0.134 0.000 0.763 820 A CB 0.980 20.064 19.000 0.141 0.000 1.248 820 A HN 0.580 nan 8.150 nan 0.000 0.442 821 Q N 0.611 120.472 119.800 0.102 0.000 2.306 821 Q HA 0.549 4.872 4.340 -0.029 0.000 0.241 821 Q C -1.289 174.768 176.000 0.096 0.000 0.948 821 Q CA -0.197 55.663 55.803 0.094 0.000 0.886 821 Q CB 1.015 29.784 28.738 0.052 0.000 1.227 821 Q HN 0.527 nan 8.270 nan 0.000 0.457 822 V N 5.741 125.714 119.914 0.098 0.000 2.443 822 V HA 0.179 4.282 4.120 -0.029 0.000 0.272 822 V C -0.054 176.088 176.094 0.080 0.000 1.002 822 V CA -0.521 61.835 62.300 0.093 0.000 0.840 822 V CB 0.827 32.707 31.823 0.095 0.000 1.042 822 V HN 0.733 nan 8.190 nan 0.000 0.446 823 I N 2.962 123.605 120.570 0.121 0.000 2.734 823 I HA 0.109 4.262 4.170 -0.029 0.000 0.301 823 I C 0.354 176.545 176.117 0.123 0.000 1.127 823 I CA 0.166 61.562 61.300 0.160 0.000 2.292 823 I CB -0.649 37.497 38.000 0.243 0.000 1.590 823 I HN 0.388 nan 8.210 nan 0.000 1.053 824 L N 6.331 127.545 121.223 -0.015 0.000 2.654 824 L HA 0.135 4.457 4.340 -0.029 0.000 0.271 824 L C -1.730 174.990 176.870 -0.249 0.000 1.169 824 L CA -1.341 53.405 54.840 -0.157 0.000 0.947 824 L CB -0.615 41.335 42.059 -0.181 0.000 1.232 824 L HN 0.306 nan 8.230 nan 0.000 0.486 825 P HA 0.040 nan 4.420 nan 0.000 0.264 825 P C -0.290 176.849 177.300 -0.270 0.000 1.229 825 P CA 0.187 62.945 63.100 -0.569 0.000 0.780 825 P CB 0.727 31.707 31.700 -1.201 0.000 0.808 826 M N 1.672 121.199 119.600 -0.122 0.000 2.369 826 M HA 0.367 4.829 4.480 -0.029 0.000 0.291 826 M C 0.749 176.990 176.300 -0.098 0.000 1.178 826 M CA -0.404 54.857 55.300 -0.064 0.000 0.996 826 M CB 0.939 33.563 32.600 0.040 0.000 1.472 826 M HN 0.240 nan 8.290 nan 0.000 0.496 827 S N 0.682 116.287 115.700 -0.158 0.000 2.526 827 S HA 0.585 5.038 4.470 -0.029 0.000 0.293 827 S C -2.110 172.203 174.600 -0.478 0.000 1.092 827 S CA -1.478 56.541 58.200 -0.302 0.000 0.980 827 S CB 1.830 64.747 63.200 -0.472 0.000 1.048 827 S HN 0.473 nan 8.310 nan 0.000 0.483 828 P HA 0.141 nan 4.420 nan 0.000 0.224 828 P C -0.441 176.716 177.300 -0.238 0.000 1.159 828 P CA 0.420 63.404 63.100 -0.194 0.000 0.824 828 P CB 0.126 31.827 31.700 0.002 0.000 0.833 829 N N 1.057 119.648 118.700 -0.181 0.000 3.012 829 N HA 0.108 4.831 4.740 -0.029 0.000 0.270 829 N C -0.289 175.261 175.510 0.066 0.000 1.469 829 N CA -0.241 52.842 53.050 0.055 0.000 0.928 829 N CB -0.080 38.615 38.487 0.345 0.000 1.219 829 N HN 0.492 nan 8.380 nan 0.000 0.492 830 H N -1.425 117.673 119.070 0.047 0.000 2.594 830 H HA 0.433 4.971 4.556 -0.029 0.000 0.304 830 H C 1.002 176.348 175.328 0.031 0.000 1.068 830 H CA -0.715 55.323 56.048 -0.017 0.000 1.308 830 H CB 1.362 31.061 29.762 -0.105 0.000 1.409 830 H HN 0.470 nan 8.280 nan 0.000 0.460 831 G N 3.071 111.982 108.800 0.185 0.000 2.195 831 G HA2 -0.383 3.559 3.960 -0.029 0.000 0.246 831 G HA3 -0.383 3.559 3.960 -0.029 0.000 0.246 831 G C 0.958 175.958 174.900 0.167 0.000 0.984 831 G CA 0.489 45.670 45.100 0.134 0.000 0.633 831 G HN 0.601 nan 8.290 nan 0.000 0.525 832 T N 1.022 115.717 114.554 0.235 0.000 2.523 832 T HA 0.158 4.491 4.350 -0.029 0.000 0.253 832 T C 1.767 176.619 174.700 0.254 0.000 1.139 832 T CA 1.641 63.888 62.100 0.244 0.000 1.230 832 T CB -0.328 68.737 68.868 0.327 0.000 0.871 832 T HN 0.228 nan 8.240 nan 0.000 0.396 833 F N 0.907 120.907 119.950 0.082 0.000 2.057 833 F HA 0.219 4.729 4.527 -0.029 0.000 0.307 833 F C 2.119 177.957 175.800 0.062 0.000 1.537 833 F CA 1.329 59.373 58.000 0.074 0.000 1.212 833 F CB -1.132 37.908 39.000 0.068 0.000 0.907 833 F HN 0.383 nan 8.300 nan 0.000 0.566 834 G N -1.855 107.138 108.800 0.321 0.000 3.088 834 G HA2 0.381 4.324 3.960 -0.029 0.000 0.197 834 G HA3 0.381 4.324 3.960 -0.029 0.000 0.197 834 G C 0.390 175.369 174.900 0.133 0.000 1.611 834 G CA -0.010 45.194 45.100 0.174 0.000 0.771 834 G HN 0.708 nan 8.290 nan 0.000 0.789 835 G N 1.142 110.004 108.800 0.104 0.000 2.764 835 G HA2 0.230 4.173 3.960 -0.029 0.000 0.278 835 G HA3 0.230 4.173 3.960 -0.029 0.000 0.278 835 G C 0.619 175.560 174.900 0.068 0.000 0.686 835 G CA 0.636 45.783 45.100 0.077 0.000 2.105 835 G HN 0.401 nan 8.290 nan 0.000 0.562 836 D N 1.637 122.086 120.400 0.083 0.000 2.123 836 D HA 0.055 4.677 4.640 -0.029 0.000 0.200 836 D C 1.849 178.202 176.300 0.089 0.000 0.976 836 D CA 1.781 55.833 54.000 0.087 0.000 0.831 836 D CB 0.129 41.001 40.800 0.120 0.000 0.974 836 D HN 0.522 nan 8.370 nan 0.000 0.469 837 G N 0.503 109.352 108.800 0.082 0.000 4.045 837 G HA2 -0.254 3.688 3.960 -0.029 0.000 0.261 837 G HA3 -0.254 3.688 3.960 -0.029 0.000 0.261 837 G C 0.775 175.731 174.900 0.093 0.000 1.772 837 G CA 0.416 45.567 45.100 0.085 0.000 1.264 837 G HN 0.365 nan 8.290 nan 0.000 0.609 838 M N -0.556 119.105 119.600 0.102 0.000 2.722 838 M HA 0.267 4.730 4.480 -0.029 0.000 0.451 838 M C 0.995 177.294 176.300 -0.002 0.000 1.225 838 M CA 0.016 55.353 55.300 0.063 0.000 0.874 838 M CB 1.066 33.754 32.600 0.146 0.000 1.736 838 M HN 0.418 nan 8.290 nan 0.000 0.584 839 Y N 1.767 122.032 120.300 -0.058 0.000 2.333 839 Y HA -0.176 4.357 4.550 -0.029 0.000 0.290 839 Y C 2.158 178.015 175.900 -0.072 0.000 1.144 839 Y CA 1.942 59.992 58.100 -0.083 0.000 1.228 839 Y CB -0.087 38.320 38.460 -0.087 0.000 0.985 839 Y HN 0.340 nan 8.280 nan 0.000 0.542 840 S N 0.073 115.667 115.700 -0.177 0.000 2.341 840 S HA -0.166 4.287 4.470 -0.029 0.000 0.204 840 S C 1.693 176.182 174.600 -0.185 0.000 1.038 840 S CA 0.946 59.040 58.200 -0.176 0.000 1.013 840 S CB -0.880 62.315 63.200 -0.007 0.000 0.994 840 S HN 0.393 nan 8.310 nan 0.000 0.430 841 E N 2.034 122.153 120.200 -0.136 0.000 2.236 841 E HA -0.142 4.191 4.350 -0.029 0.000 0.205 841 E C 2.203 178.623 176.600 -0.300 0.000 1.028 841 E CA 1.593 57.897 56.400 -0.161 0.000 0.827 841 E CB -0.735 28.921 29.700 -0.073 0.000 0.735 841 E HN 0.505 nan 8.360 nan 0.000 0.470 842 S N 0.179 115.620 115.700 -0.431 0.000 2.349 842 S HA -0.157 4.296 4.470 -0.029 0.000 0.216 842 S C 1.690 176.123 174.600 -0.277 0.000 1.033 842 S CA 1.030 58.949 58.200 -0.469 0.000 1.021 842 S CB -0.135 62.856 63.200 -0.348 0.000 0.968 842 S HN 0.122 nan 8.310 nan 0.000 0.426 843 K N 1.240 121.465 120.400 -0.292 0.000 1.980 843 K HA -0.124 4.179 4.320 -0.029 0.000 0.223 843 K C 2.130 178.675 176.600 -0.092 0.000 1.052 843 K CA 1.158 57.312 56.287 -0.223 0.000 0.974 843 K CB -1.420 30.864 32.500 -0.359 0.000 0.734 843 K HN 0.289 nan 8.250 nan 0.000 0.447 844 L N 1.826 123.038 121.223 -0.019 0.000 2.095 844 L HA -0.346 3.977 4.340 -0.029 0.000 0.229 844 L C 2.136 178.968 176.870 -0.062 0.000 1.097 844 L CA 2.324 57.118 54.840 -0.076 0.000 0.813 844 L CB -1.145 40.772 42.059 -0.236 0.000 0.907 844 L HN 0.189 nan 8.230 nan 0.000 0.445 845 S N -0.534 115.118 115.700 -0.080 0.000 2.365 845 S HA -0.222 4.231 4.470 -0.029 0.000 0.225 845 S C 1.927 176.503 174.600 -0.040 0.000 1.039 845 S CA 1.671 59.843 58.200 -0.047 0.000 1.033 845 S CB -0.631 62.542 63.200 -0.045 0.000 0.887 845 S HN 0.556 nan 8.310 nan 0.000 0.447 846 L N 1.092 122.273 121.223 -0.071 0.000 2.171 846 L HA -0.290 4.033 4.340 -0.029 0.000 0.216 846 L C 2.410 179.202 176.870 -0.129 0.000 1.084 846 L CA 1.508 56.285 54.840 -0.105 0.000 0.771 846 L CB -0.645 41.337 42.059 -0.129 0.000 0.890 846 L HN 0.381 nan 8.230 nan 0.000 0.437 847 E N -0.962 119.228 120.200 -0.015 0.000 2.265 847 E HA -0.170 4.163 4.350 -0.029 0.000 0.196 847 E C 1.988 178.675 176.600 0.145 0.000 0.996 847 E CA 1.482 57.967 56.400 0.142 0.000 0.832 847 E CB -0.021 29.829 29.700 0.250 0.000 0.756 847 E HN 0.470 nan 8.360 nan 0.000 0.491 848 T N 1.057 115.649 114.554 0.064 0.000 2.759 848 T HA -0.169 4.164 4.350 -0.029 0.000 0.269 848 T C 1.760 176.518 174.700 0.096 0.000 1.042 848 T CA 0.767 62.920 62.100 0.089 0.000 1.140 848 T CB -0.226 68.677 68.868 0.058 0.000 0.864 848 T HN 0.160 nan 8.240 nan 0.000 0.455 849 L N -0.172 121.048 121.223 -0.004 0.000 2.270 849 L HA -0.159 4.164 4.340 -0.029 0.000 0.217 849 L C 2.051 178.938 176.870 0.030 0.000 1.107 849 L CA 1.340 56.186 54.840 0.009 0.000 0.772 849 L CB -0.550 41.423 42.059 -0.143 0.000 0.902 849 L HN 0.307 nan 8.230 nan 0.000 0.439 850 F N -0.566 119.445 119.950 0.102 0.000 2.163 850 F HA -0.143 4.367 4.527 -0.029 0.000 0.297 850 F C 2.327 178.157 175.800 0.050 0.000 1.094 850 F CA 0.872 58.894 58.000 0.037 0.000 1.290 850 F CB -0.190 38.816 39.000 0.010 0.000 1.017 850 F HN 0.145 nan 8.300 nan 0.000 0.483 851 N N -0.054 118.818 118.700 0.286 0.000 2.457 851 N HA -0.037 4.686 4.740 -0.029 0.000 0.180 851 N C 1.826 177.466 175.510 0.216 0.000 1.050 851 N CA 0.333 53.526 53.050 0.239 0.000 0.906 851 N CB -0.117 38.487 38.487 0.195 0.000 0.968 851 N HN 0.230 nan 8.380 nan 0.000 0.445 852 R N 0.446 121.086 120.500 0.233 0.000 2.070 852 R HA -0.114 4.209 4.340 -0.029 0.000 0.227 852 R C 1.765 178.156 176.300 0.151 0.000 1.147 852 R CA 0.742 57.022 56.100 0.300 0.000 0.924 852 R CB -1.127 29.463 30.300 0.485 0.000 0.827 852 R HN 0.286 nan 8.270 nan 0.000 0.431 853 W N 1.909 123.065 121.300 -0.241 0.000 2.233 853 W HA -0.252 4.391 4.660 -0.029 0.000 0.306 853 W C 0.259 176.395 176.519 -0.638 0.000 1.260 853 W CA 1.734 58.582 57.345 -0.828 0.000 1.276 853 W CB -0.141 28.925 29.460 -0.656 0.000 1.127 853 W HN 0.199 nan 8.180 nan 0.000 0.530 854 H N -0.630 118.456 119.070 0.027 0.000 2.467 854 H HA 0.318 4.857 4.556 -0.029 0.000 0.326 854 H C 1.212 176.502 175.328 -0.063 0.000 1.094 854 H CA 0.398 56.432 56.048 -0.023 0.000 1.253 854 H CB 1.520 31.347 29.762 0.109 0.000 1.439 854 H HN 0.078 nan 8.280 nan 0.000 0.479 855 S N 1.786 117.492 115.700 0.010 0.000 1.312 855 S HA -0.183 4.270 4.470 -0.029 0.000 0.250 855 S C 0.094 174.683 174.600 -0.019 0.000 0.638 855 S CA 0.450 58.654 58.200 0.006 0.000 1.075 855 S CB -1.382 61.855 63.200 0.063 0.000 1.133 855 S HN 0.574 nan 8.310 nan 0.000 0.493 856 E N 3.195 123.382 120.200 -0.021 0.000 2.194 856 E HA 0.486 4.818 4.350 -0.029 0.000 0.284 856 E C 0.065 176.643 176.600 -0.037 0.000 1.035 856 E CA 0.223 56.693 56.400 0.116 0.000 0.836 856 E CB 1.271 31.267 29.700 0.493 0.000 1.070 856 E HN 0.624 nan 8.360 nan 0.000 0.401 857 S N 5.324 121.059 115.700 0.059 0.000 2.671 857 S HA -0.022 4.430 4.470 -0.029 0.000 0.331 857 S C 0.209 174.903 174.600 0.157 0.000 1.182 857 S CA -0.421 57.780 58.200 0.001 0.000 1.276 857 S CB -0.552 62.662 63.200 0.023 0.000 1.360 857 S HN 0.831 nan 8.310 nan 0.000 0.563 858 W N 0.486 121.661 121.300 -0.210 0.000 0.594 858 W HA 0.323 4.966 4.660 -0.029 0.000 0.138 858 W C 0.290 176.649 176.519 -0.267 0.000 0.613 858 W CA -0.131 57.105 57.345 -0.181 0.000 0.410 858 W CB -0.699 28.687 29.460 -0.122 0.000 0.698 858 W HN 0.607 nan 8.180 nan 0.000 0.351 859 A N 1.718 124.098 122.820 -0.734 0.000 2.239 859 A HA -0.041 4.261 4.320 -0.029 0.000 0.209 859 A C 1.455 178.879 177.584 -0.267 0.000 1.171 859 A CA 1.110 52.525 52.037 -1.038 0.000 0.768 859 A CB -0.660 17.099 19.000 -2.069 0.000 0.790 859 A HN 0.340 nan 8.150 nan 0.000 0.478 860 N N -0.227 118.404 118.700 -0.116 0.000 2.270 860 N HA -0.012 4.711 4.740 -0.029 0.000 0.198 860 N C 0.729 176.292 175.510 0.088 0.000 1.117 860 N CA 0.524 53.578 53.050 0.007 0.000 0.845 860 N CB 0.428 38.909 38.487 -0.011 0.000 0.980 860 N HN 0.756 nan 8.380 nan 0.000 0.486 861 Q N -0.676 119.213 119.800 0.148 0.000 2.330 861 Q HA 0.259 4.581 4.340 -0.029 0.000 0.254 861 Q C 0.415 176.564 176.000 0.249 0.000 0.777 861 Q CA 0.246 56.159 55.803 0.183 0.000 0.972 861 Q CB 1.608 30.445 28.738 0.165 0.000 1.236 861 Q HN 0.100 nan 8.270 nan 0.000 0.508 862 L N 1.574 123.020 121.223 0.372 0.000 2.341 862 L HA 0.680 5.003 4.340 -0.029 0.000 0.267 862 L C -0.855 176.366 176.870 0.584 0.000 1.009 862 L CA -0.562 54.565 54.840 0.478 0.000 0.819 862 L CB 2.425 44.886 42.059 0.671 0.000 1.323 862 L HN -0.126 nan 8.230 nan 0.000 0.425 863 T N 0.940 115.772 114.554 0.464 0.000 2.965 863 T HA 0.342 4.675 4.350 -0.029 0.000 0.306 863 T C 0.012 174.795 174.700 0.138 0.000 0.991 863 T CA -0.373 61.935 62.100 0.347 0.000 1.001 863 T CB 1.715 70.692 68.868 0.181 0.000 0.984 863 T HN 0.162 nan 8.240 nan 0.000 0.446 864 V N 1.596 121.492 119.914 -0.030 0.000 3.566 864 V HA 0.365 4.468 4.120 -0.029 0.000 0.301 864 V C 0.806 176.875 176.094 -0.041 0.000 1.105 864 V CA -0.324 61.944 62.300 -0.054 0.000 1.142 864 V CB 1.078 32.816 31.823 -0.142 0.000 1.107 864 V HN 1.135 nan 8.190 nan 0.000 0.481 865 C N 2.054 121.380 119.300 0.044 0.000 3.015 865 C HA 0.454 4.896 4.460 -0.029 0.000 0.372 865 C C 0.604 175.697 174.990 0.171 0.000 1.057 865 C CA -0.476 58.615 59.018 0.122 0.000 1.328 865 C CB -0.984 26.790 27.740 0.057 0.000 1.661 865 C HN 1.334 nan 8.230 nan 0.000 0.471 866 G N 2.956 111.993 108.800 0.394 0.000 2.332 866 G HA2 0.561 4.504 3.960 -0.029 0.000 0.311 866 G HA3 0.561 4.504 3.960 -0.029 0.000 0.311 866 G C 0.620 175.623 174.900 0.171 0.000 1.392 866 G CA 0.245 45.571 45.100 0.376 0.000 1.110 866 G HN 2.585 nan 8.290 nan 0.000 0.594 867 A N -2.422 120.481 122.820 0.138 0.000 1.825 867 A HA 0.081 4.384 4.320 -0.029 0.000 0.234 867 A C 1.082 178.710 177.584 0.072 0.000 2.858 867 A CA 0.185 52.284 52.037 0.104 0.000 2.159 867 A CB -1.251 17.826 19.000 0.128 0.000 0.258 867 A HN 0.517 nan 8.150 nan 0.000 0.969 868 I N 1.359 121.969 120.570 0.066 0.000 2.185 868 I HA -0.243 3.910 4.170 -0.029 0.000 0.246 868 I C 1.262 177.390 176.117 0.019 0.000 1.088 868 I CA 1.860 63.180 61.300 0.033 0.000 1.347 868 I CB -0.504 37.519 38.000 0.040 0.000 1.041 868 I HN 0.805 nan 8.210 nan 0.000 0.415 869 I N 0.911 121.498 120.570 0.029 0.000 2.999 869 I HA -0.221 3.932 4.170 -0.029 0.000 0.126 869 I C 0.343 176.449 176.117 -0.019 0.000 0.912 869 I CA 0.526 61.821 61.300 -0.009 0.000 2.775 869 I CB -1.654 36.347 38.000 0.002 0.000 0.783 869 I HN 0.207 nan 8.210 nan 0.000 0.349 870 G N 4.401 113.193 108.800 -0.013 0.000 2.568 870 G HA2 0.530 4.473 3.960 -0.029 0.000 0.313 870 G HA3 0.530 4.473 3.960 -0.029 0.000 0.313 870 G C -1.004 173.951 174.900 0.092 0.000 1.227 870 G CA -0.930 44.199 45.100 0.048 0.000 0.979 870 G HN 0.951 nan 8.290 nan 0.000 0.486 871 W N 0.092 121.391 121.300 -0.003 0.000 3.310 871 W HA -0.169 4.474 4.660 -0.029 0.000 0.434 871 W C -0.084 176.398 176.519 -0.062 0.000 1.840 871 W CA 1.075 58.429 57.345 0.016 0.000 0.500 871 W CB -0.404 29.116 29.460 0.099 0.000 2.862 871 W HN 0.459 nan 8.180 nan 0.000 0.496 872 T N 4.611 119.284 114.554 0.198 0.000 3.038 872 T HA 0.288 4.620 4.350 -0.029 0.000 0.344 872 T C 0.347 175.174 174.700 0.211 0.000 1.054 872 T CA -0.967 61.233 62.100 0.165 0.000 1.092 872 T CB 1.197 70.043 68.868 -0.036 0.000 1.031 872 T HN 0.408 nan 8.240 nan 0.000 0.482 873 R N 2.361 123.092 120.500 0.385 0.000 3.421 873 R HA 0.396 4.718 4.340 -0.029 0.000 0.175 873 R C 1.095 177.496 176.300 0.167 0.000 0.770 873 R CA 1.850 58.135 56.100 0.308 0.000 1.308 873 R CB -0.514 29.977 30.300 0.317 0.000 0.628 873 R HN 0.942 nan 8.270 nan 0.000 0.478 874 G N 0.659 109.542 108.800 0.138 0.000 2.392 874 G HA2 -0.218 3.724 3.960 -0.029 0.000 0.290 874 G HA3 -0.218 3.724 3.960 -0.029 0.000 0.290 874 G C -0.473 174.463 174.900 0.060 0.000 1.032 874 G CA 0.428 45.583 45.100 0.093 0.000 1.269 874 G HN 0.558 nan 8.290 nan 0.000 0.511 875 T N -0.027 114.557 114.554 0.049 0.000 2.897 875 T HA 0.581 4.914 4.350 -0.029 0.000 0.294 875 T C 1.564 176.267 174.700 0.005 0.000 1.004 875 T CA 0.756 62.866 62.100 0.017 0.000 1.106 875 T CB 1.765 70.641 68.868 0.013 0.000 0.949 875 T HN 1.042 nan 8.240 nan 0.000 0.520 876 G N 1.191 109.983 108.800 -0.013 0.000 2.687 876 G HA2 0.410 4.353 3.960 -0.029 0.000 0.201 876 G HA3 0.410 4.353 3.960 -0.029 0.000 0.201 876 G C -0.195 174.687 174.900 -0.031 0.000 1.211 876 G CA -0.115 44.971 45.100 -0.022 0.000 0.637 876 G HN 0.656 nan 8.290 nan 0.000 0.900 877 L N -0.802 120.399 121.223 -0.038 0.000 3.996 877 L HA 0.558 4.881 4.340 -0.029 0.000 0.218 877 L C -0.521 176.309 176.870 -0.066 0.000 1.038 877 L CA 0.082 54.893 54.840 -0.048 0.000 1.412 877 L CB 0.650 42.685 42.059 -0.039 0.000 1.786 877 L HN 0.161 nan 8.230 nan 0.000 0.734 878 M N 0.890 120.433 119.600 -0.095 0.000 3.319 878 M HA 0.085 4.548 4.480 -0.029 0.000 0.283 878 M C -1.085 175.108 176.300 -0.179 0.000 0.567 878 M CA 0.802 56.017 55.300 -0.142 0.000 1.003 878 M CB -1.089 31.444 32.600 -0.112 0.000 3.579 878 M HN 0.324 nan 8.290 nan 0.000 0.345 879 S N 1.372 116.979 115.700 -0.155 0.000 2.420 879 S HA 0.841 5.294 4.470 -0.029 0.000 0.313 879 S C 0.538 174.957 174.600 -0.302 0.000 1.079 879 S CA -0.098 57.985 58.200 -0.195 0.000 1.104 879 S CB 1.018 64.169 63.200 -0.082 0.000 0.969 879 S HN 0.593 nan 8.310 nan 0.000 0.471 880 A N 3.656 126.145 122.820 -0.552 0.000 2.614 880 A HA 0.008 4.311 4.320 -0.029 0.000 0.231 880 A C 0.937 178.166 177.584 -0.593 0.000 1.076 880 A CA -0.136 51.457 52.037 -0.740 0.000 0.767 880 A CB -0.198 18.053 19.000 -1.247 0.000 1.012 880 A HN 0.871 nan 8.150 nan 0.000 0.512 881 N N 0.617 119.209 118.700 -0.181 0.000 2.942 881 N HA -0.214 4.509 4.740 -0.029 0.000 0.284 881 N C 0.061 175.829 175.510 0.431 0.000 1.019 881 N CA 1.235 54.414 53.050 0.214 0.000 0.879 881 N CB -0.942 37.819 38.487 0.458 0.000 0.917 881 N HN 0.702 nan 8.380 nan 0.000 0.606 882 N N 0.805 119.643 118.700 0.231 0.000 2.429 882 N HA 0.053 4.776 4.740 -0.029 0.000 0.298 882 N C 0.592 176.218 175.510 0.193 0.000 1.256 882 N CA 0.374 53.576 53.050 0.255 0.000 1.090 882 N CB 0.000 38.563 38.487 0.126 0.000 1.477 882 N HN 0.396 nan 8.380 nan 0.000 0.491 883 I N 0.619 121.321 120.570 0.220 0.000 2.675 883 I HA 0.009 4.162 4.170 -0.029 0.000 0.284 883 I C 1.315 177.477 176.117 0.076 0.000 0.909 883 I CA -0.438 60.935 61.300 0.122 0.000 2.108 883 I CB -0.450 37.617 38.000 0.111 0.000 1.881 883 I HN 0.109 nan 8.210 nan 0.000 0.397 884 I N 1.646 122.255 120.570 0.065 0.000 2.071 884 I HA -0.266 3.887 4.170 -0.029 0.000 0.214 884 I C 2.199 178.259 176.117 -0.094 0.000 1.020 884 I CA 1.988 63.271 61.300 -0.028 0.000 1.334 884 I CB -0.710 37.250 38.000 -0.065 0.000 1.073 884 I HN 0.651 nan 8.210 nan 0.000 0.388 885 A N 0.168 122.831 122.820 -0.262 0.000 1.738 885 A HA -0.420 3.883 4.320 -0.029 0.000 0.336 885 A C 1.775 179.226 177.584 -0.223 0.000 1.830 885 A CA 1.984 53.807 52.037 -0.357 0.000 1.071 885 A CB -2.065 16.839 19.000 -0.160 0.000 1.468 885 A HN 0.600 nan 8.150 nan 0.000 0.710 886 E N -0.220 119.912 120.200 -0.114 0.000 2.097 886 E HA -0.038 4.295 4.350 -0.029 0.000 0.196 886 E C 1.921 178.487 176.600 -0.057 0.000 1.000 886 E CA 1.076 57.434 56.400 -0.069 0.000 0.804 886 E CB -0.512 29.165 29.700 -0.038 0.000 0.740 886 E HN 1.075 nan 8.360 nan 0.000 0.454 887 G N 0.472 109.231 108.800 -0.067 0.000 2.601 887 G HA2 -0.178 3.765 3.960 -0.029 0.000 0.214 887 G HA3 -0.178 3.765 3.960 -0.029 0.000 0.214 887 G C 1.301 176.205 174.900 0.008 0.000 1.132 887 G CA 0.759 45.833 45.100 -0.045 0.000 0.761 887 G HN 0.231 nan 8.290 nan 0.000 0.550 888 I N -1.724 118.834 120.570 -0.021 0.000 4.607 888 I HA 0.138 4.291 4.170 -0.029 0.000 0.324 888 I C 1.395 177.537 176.117 0.041 0.000 1.279 888 I CA -0.018 61.340 61.300 0.097 0.000 1.286 888 I CB 0.407 38.349 38.000 -0.096 0.000 1.265 888 I HN -0.019 nan 8.210 nan 0.000 0.446 889 E N 2.108 122.286 120.200 -0.037 0.000 2.321 889 E HA 0.030 4.363 4.350 -0.029 0.000 0.189 889 E C 0.967 177.558 176.600 -0.016 0.000 1.125 889 E CA 0.217 56.595 56.400 -0.037 0.000 1.005 889 E CB 0.334 29.998 29.700 -0.061 0.000 1.140 889 E HN 0.402 nan 8.360 nan 0.000 0.457 890 K N -0.349 120.062 120.400 0.018 0.000 2.494 890 K HA 0.144 4.447 4.320 -0.029 0.000 0.201 890 K C 1.002 177.609 176.600 0.011 0.000 1.338 890 K CA -0.182 56.116 56.287 0.018 0.000 0.935 890 K CB 0.250 32.773 32.500 0.039 0.000 1.514 890 K HN -0.008 nan 8.250 nan 0.000 0.490 891 M N 1.196 120.821 119.600 0.042 0.000 3.543 891 M HA 0.066 4.529 4.480 -0.029 0.000 0.181 891 M C 0.246 176.472 176.300 -0.122 0.000 1.448 891 M CA 0.918 56.163 55.300 -0.091 0.000 1.587 891 M CB -0.626 31.774 32.600 -0.335 0.000 1.380 891 M HN 0.479 nan 8.290 nan 0.000 0.447 892 G N -1.170 107.591 108.800 -0.066 0.000 2.205 892 G HA2 -0.181 3.762 3.960 -0.029 0.000 0.180 892 G HA3 -0.181 3.762 3.960 -0.029 0.000 0.180 892 G C 0.222 175.089 174.900 -0.054 0.000 1.004 892 G CA -0.379 44.682 45.100 -0.065 0.000 0.670 892 G HN 0.813 nan 8.290 nan 0.000 0.496 893 V N -0.092 119.800 119.914 -0.037 0.000 5.359 893 V HA -0.287 3.816 4.120 -0.029 0.000 0.278 893 V C 1.690 177.757 176.094 -0.045 0.000 0.622 893 V CA 1.894 64.171 62.300 -0.039 0.000 0.649 893 V CB -1.382 30.413 31.823 -0.047 0.000 0.408 893 V HN 0.600 nan 8.190 nan 0.000 0.918 894 R N 1.381 121.863 120.500 -0.031 0.000 3.457 894 R HA 0.210 4.533 4.340 -0.029 0.000 0.218 894 R C 1.254 177.566 176.300 0.021 0.000 1.833 894 R CA 0.910 56.997 56.100 -0.021 0.000 1.554 894 R CB -1.461 28.847 30.300 0.014 0.000 1.143 894 R HN 1.146 nan 8.270 nan 0.000 0.557 895 T N -3.875 110.676 114.554 -0.006 0.000 0.541 895 T HA -0.327 4.006 4.350 -0.029 0.000 0.774 895 T C 0.138 174.905 174.700 0.112 0.000 0.992 895 T CA 0.271 62.369 62.100 -0.003 0.000 4.077 895 T CB -0.699 68.153 68.868 -0.026 0.000 2.303 895 T HN 0.411 nan 8.240 nan 0.000 0.398 896 F N -0.258 119.693 119.950 0.002 0.000 2.122 896 F HA 0.080 4.590 4.527 -0.029 0.000 0.483 896 F C 1.114 176.919 175.800 0.008 0.000 1.256 896 F CA 1.568 59.590 58.000 0.036 0.000 1.544 896 F CB -1.173 37.890 39.000 0.106 0.000 2.639 896 F HN 1.667 nan 8.300 nan 0.000 0.704 897 S N 0.787 116.733 115.700 0.410 0.000 4.412 897 S HA 0.073 4.526 4.470 -0.029 0.000 0.067 897 S C -0.810 173.962 174.600 0.287 0.000 0.853 897 S CA 0.004 58.368 58.200 0.274 0.000 1.030 897 S CB -0.401 62.848 63.200 0.081 0.000 0.620 897 S HN 0.646 nan 8.310 nan 0.000 0.774 898 Q N 1.415 121.471 119.800 0.427 0.000 2.222 898 Q HA 0.527 4.850 4.340 -0.029 0.000 0.252 898 Q C 0.549 176.820 176.000 0.451 0.000 0.926 898 Q CA -0.359 55.634 55.803 0.316 0.000 0.899 898 Q CB 1.720 30.508 28.738 0.082 0.000 1.250 898 Q HN 0.263 nan 8.270 nan 0.000 0.441 899 K N 1.270 121.832 120.400 0.270 0.000 2.367 899 K HA 0.070 4.372 4.320 -0.029 0.000 0.198 899 K C 0.643 177.360 176.600 0.195 0.000 1.132 899 K CA 0.118 56.535 56.287 0.216 0.000 0.941 899 K CB 0.599 33.186 32.500 0.145 0.000 1.052 899 K HN 0.571 nan 8.250 nan 0.000 0.507 900 E N 1.941 122.242 120.200 0.168 0.000 2.499 900 E HA -0.154 4.179 4.350 -0.029 0.000 0.207 900 E C 1.355 178.095 176.600 0.233 0.000 1.175 900 E CA 0.183 56.679 56.400 0.160 0.000 0.932 900 E CB -0.075 29.688 29.700 0.105 0.000 0.906 900 E HN 0.393 nan 8.360 nan 0.000 0.556 901 M N -0.151 119.621 119.600 0.286 0.000 2.435 901 M HA -0.205 4.258 4.480 -0.029 0.000 0.262 901 M C 1.903 178.378 176.300 0.290 0.000 1.065 901 M CA 1.257 56.777 55.300 0.366 0.000 1.076 901 M CB -0.318 32.500 32.600 0.364 0.000 1.403 901 M HN 0.119 nan 8.290 nan 0.000 0.454 902 A N 0.995 123.943 122.820 0.215 0.000 1.940 902 A HA -0.291 4.011 4.320 -0.029 0.000 0.221 902 A C 1.908 179.609 177.584 0.196 0.000 1.190 902 A CA 2.117 54.246 52.037 0.155 0.000 0.647 902 A CB -1.577 17.494 19.000 0.118 0.000 0.821 902 A HN 0.737 nan 8.150 nan 0.000 0.457 903 F N 1.674 121.687 119.950 0.105 0.000 2.135 903 F HA -0.334 4.176 4.527 -0.029 0.000 0.300 903 F C 1.851 177.719 175.800 0.113 0.000 1.074 903 F CA 2.151 60.213 58.000 0.104 0.000 1.262 903 F CB -0.587 38.467 39.000 0.089 0.000 1.013 903 F HN 0.425 nan 8.300 nan 0.000 0.489 904 N N 0.597 119.394 118.700 0.161 0.000 2.030 904 N HA -0.212 4.511 4.740 -0.029 0.000 0.194 904 N C 1.788 177.292 175.510 -0.011 0.000 1.074 904 N CA 1.447 54.537 53.050 0.066 0.000 0.860 904 N CB -0.531 38.072 38.487 0.193 0.000 1.055 904 N HN 0.159 nan 8.380 nan 0.000 0.429 905 L N 1.199 122.457 121.223 0.058 0.000 2.011 905 L HA -0.221 4.102 4.340 -0.029 0.000 0.225 905 L C 2.627 179.509 176.870 0.020 0.000 1.084 905 L CA 1.411 56.284 54.840 0.054 0.000 0.791 905 L CB -1.780 40.326 42.059 0.079 0.000 0.898 905 L HN 0.354 nan 8.230 nan 0.000 0.440 906 L N 0.415 121.649 121.223 0.018 0.000 2.113 906 L HA -0.232 4.091 4.340 -0.029 0.000 0.221 906 L C 2.206 179.144 176.870 0.114 0.000 1.084 906 L CA 2.503 57.385 54.840 0.070 0.000 0.787 906 L CB -1.029 41.073 42.059 0.071 0.000 0.893 906 L HN 0.308 nan 8.230 nan 0.000 0.440 907 G N -1.749 106.988 108.800 -0.105 0.000 2.595 907 G HA2 -0.102 3.841 3.960 -0.029 0.000 0.213 907 G HA3 -0.102 3.841 3.960 -0.029 0.000 0.213 907 G C 1.289 176.174 174.900 -0.025 0.000 1.141 907 G CA 0.367 45.397 45.100 -0.117 0.000 0.806 907 G HN 0.382 nan 8.290 nan 0.000 0.530 908 L N 0.630 121.843 121.223 -0.017 0.000 2.651 908 L HA 0.176 4.498 4.340 -0.029 0.000 0.236 908 L C 1.370 178.260 176.870 0.032 0.000 1.173 908 L CA 0.881 55.730 54.840 0.016 0.000 0.843 908 L CB -0.165 41.916 42.059 0.036 0.000 0.964 908 L HN 0.169 nan 8.230 nan 0.000 0.454 909 L N -1.208 120.046 121.223 0.053 0.000 3.289 909 L HA 0.362 4.685 4.340 -0.029 0.000 0.291 909 L C 0.395 177.350 176.870 0.143 0.000 1.279 909 L CA -0.031 54.843 54.840 0.057 0.000 1.025 909 L CB -0.090 41.960 42.059 -0.016 0.000 1.413 909 L HN 0.139 nan 8.230 nan 0.000 0.593 910 T N 1.129 115.757 114.554 0.123 0.000 2.899 910 T HA 0.459 4.792 4.350 -0.029 0.000 0.284 910 T C -2.399 172.343 174.700 0.070 0.000 1.004 910 T CA -1.658 60.515 62.100 0.123 0.000 1.043 910 T CB 0.833 69.719 68.868 0.030 0.000 1.013 910 T HN 0.171 nan 8.240 nan 0.000 0.518 911 P HA 0.034 nan 4.420 nan 0.000 0.273 911 P C 0.397 177.709 177.300 0.020 0.000 1.248 911 P CA 0.380 63.500 63.100 0.033 0.000 0.817 911 P CB 0.333 32.046 31.700 0.021 0.000 0.995 912 E N -2.541 117.667 120.200 0.013 0.000 4.027 912 E HA -0.282 4.050 4.350 -0.029 0.000 0.194 912 E C 1.554 178.159 176.600 0.007 0.000 1.213 912 E CA 1.679 58.084 56.400 0.008 0.000 2.285 912 E CB -2.445 27.257 29.700 0.004 0.000 1.825 912 E HN 0.149 nan 8.360 nan 0.000 0.363 913 V N 1.293 121.212 119.914 0.009 0.000 2.277 913 V HA -0.356 3.746 4.120 -0.029 0.000 0.253 913 V C 2.249 178.346 176.094 0.005 0.000 1.067 913 V CA 2.475 64.779 62.300 0.007 0.000 1.047 913 V CB -0.871 30.961 31.823 0.015 0.000 0.649 913 V HN 0.346 nan 8.190 nan 0.000 0.447 914 V N -0.197 119.726 119.914 0.015 0.000 2.214 914 V HA -0.335 3.768 4.120 -0.029 0.000 0.244 914 V C 2.486 178.587 176.094 0.010 0.000 1.045 914 V CA 2.430 64.739 62.300 0.015 0.000 0.993 914 V CB -0.830 31.006 31.823 0.022 0.000 0.633 914 V HN 0.668 nan 8.190 nan 0.000 0.449 915 E N -0.024 120.185 120.200 0.014 0.000 2.200 915 E HA -0.314 4.018 4.350 -0.029 0.000 0.211 915 E C 1.830 178.433 176.600 0.006 0.000 1.048 915 E CA 2.301 58.711 56.400 0.015 0.000 0.851 915 E CB -0.523 29.184 29.700 0.013 0.000 0.747 915 E HN 0.420 nan 8.360 nan 0.000 0.462 916 L N 0.027 121.247 121.223 -0.006 0.000 1.973 916 L HA -0.131 4.192 4.340 -0.029 0.000 0.208 916 L C 2.380 179.216 176.870 -0.056 0.000 1.073 916 L CA 2.147 56.974 54.840 -0.023 0.000 0.746 916 L CB -1.245 40.801 42.059 -0.021 0.000 0.891 916 L HN 0.399 nan 8.230 nan 0.000 0.433 917 C N -0.341 118.919 119.300 -0.067 0.000 2.403 917 C HA -0.235 4.208 4.460 -0.029 0.000 0.277 917 C C 2.803 177.687 174.990 -0.178 0.000 1.248 917 C CA 1.253 60.187 59.018 -0.140 0.000 1.762 917 C CB -1.062 26.619 27.740 -0.098 0.000 2.014 917 C HN 0.706 nan 8.230 nan 0.000 0.486 918 Q N 0.329 120.096 119.800 -0.054 0.000 2.308 918 Q HA -0.216 4.107 4.340 -0.029 0.000 0.209 918 Q C 2.048 178.079 176.000 0.051 0.000 0.985 918 Q CA 1.547 57.369 55.803 0.032 0.000 0.881 918 Q CB 0.017 28.788 28.738 0.054 0.000 0.917 918 Q HN 0.656 nan 8.270 nan 0.000 0.443 919 K N -0.812 119.576 120.400 -0.019 0.000 2.166 919 K HA 0.049 4.352 4.320 -0.029 0.000 0.201 919 K C 0.417 176.995 176.600 -0.037 0.000 1.052 919 K CA 0.881 57.178 56.287 0.017 0.000 0.969 919 K CB 0.596 33.096 32.500 0.000 0.000 0.761 919 K HN 0.201 nan 8.250 nan 0.000 0.459 920 S N -0.693 114.863 115.700 -0.240 0.000 2.615 920 S HA 0.287 4.740 4.470 -0.029 0.000 0.268 920 S C -3.055 171.210 174.600 -0.559 0.000 1.146 920 S CA -1.561 56.382 58.200 -0.429 0.000 0.818 920 S CB 1.623 64.758 63.200 -0.108 0.000 1.111 920 S HN -0.180 nan 8.310 nan 0.000 0.465 921 P HA 0.251 nan 4.420 nan 0.000 0.271 921 P C -0.808 176.380 177.300 -0.188 0.000 1.233 921 P CA -0.214 62.663 63.100 -0.372 0.000 0.795 921 P CB 0.270 31.885 31.700 -0.142 0.000 0.936 922 V N 1.320 121.205 119.914 -0.048 0.000 2.595 922 V HA 0.172 4.275 4.120 -0.029 0.000 0.269 922 V C 0.410 176.483 176.094 -0.034 0.000 0.982 922 V CA -0.251 62.010 62.300 -0.065 0.000 0.873 922 V CB 0.656 32.457 31.823 -0.038 0.000 1.051 922 V HN 0.474 nan 8.190 nan 0.000 0.466 923 M N 2.938 122.400 119.600 -0.231 0.000 2.248 923 M HA 0.580 5.042 4.480 -0.029 0.000 0.337 923 M C 0.437 176.711 176.300 -0.044 0.000 1.121 923 M CA 0.543 55.727 55.300 -0.194 0.000 1.155 923 M CB 0.905 33.305 32.600 -0.335 0.000 1.514 923 M HN 0.694 nan 8.290 nan 0.000 0.452 924 A N 2.432 125.266 122.820 0.023 0.000 3.208 924 A HA 0.178 4.480 4.320 -0.029 0.000 0.252 924 A C -0.541 177.080 177.584 0.062 0.000 1.225 924 A CA -0.963 51.096 52.037 0.037 0.000 0.980 924 A CB -0.032 18.993 19.000 0.042 0.000 1.414 924 A HN 0.882 nan 8.150 nan 0.000 0.721 925 D N 1.046 121.483 120.400 0.062 0.000 2.515 925 D HA 0.050 4.672 4.640 -0.029 0.000 0.232 925 D C -0.014 176.339 176.300 0.089 0.000 1.157 925 D CA 0.326 54.371 54.000 0.075 0.000 0.871 925 D CB 0.914 41.764 40.800 0.082 0.000 1.200 925 D HN 0.403 nan 8.370 nan 0.000 0.466 926 L N 1.259 122.534 121.223 0.087 0.000 3.288 926 L HA 0.187 4.510 4.340 -0.029 0.000 0.293 926 L C 0.210 177.131 176.870 0.086 0.000 1.294 926 L CA -0.697 54.206 54.840 0.106 0.000 1.006 926 L CB -0.380 41.727 42.059 0.080 0.000 1.407 926 L HN 0.346 nan 8.230 nan 0.000 0.592 927 N N 0.582 119.348 118.700 0.111 0.000 2.455 927 N HA 0.257 4.979 4.740 -0.029 0.000 0.280 927 N C 0.990 176.613 175.510 0.187 0.000 1.055 927 N CA -0.174 52.958 53.050 0.136 0.000 0.961 927 N CB 1.660 40.230 38.487 0.139 0.000 1.121 927 N HN 0.208 nan 8.380 nan 0.000 0.476 928 G N 2.410 111.361 108.800 0.252 0.000 2.990 928 G HA2 0.238 4.181 3.960 -0.029 0.000 0.256 928 G HA3 0.238 4.181 3.960 -0.029 0.000 0.256 928 G C 1.141 176.093 174.900 0.087 0.000 0.798 928 G CA -0.033 45.199 45.100 0.219 0.000 2.012 928 G HN 1.083 nan 8.290 nan 0.000 0.598 929 G N 0.377 109.212 108.800 0.058 0.000 2.230 929 G HA2 -0.429 3.514 3.960 -0.029 0.000 0.270 929 G HA3 -0.429 3.514 3.960 -0.029 0.000 0.270 929 G C 1.453 176.425 174.900 0.121 0.000 0.987 929 G CA 0.832 45.907 45.100 -0.042 0.000 0.664 929 G HN 0.629 nan 8.290 nan 0.000 0.539 930 L N 0.388 121.703 121.223 0.154 0.000 2.151 930 L HA -0.327 3.996 4.340 -0.029 0.000 0.219 930 L C 3.133 180.158 176.870 0.260 0.000 1.083 930 L CA 2.742 57.699 54.840 0.195 0.000 0.782 930 L CB -0.370 41.830 42.059 0.236 0.000 0.891 930 L HN 0.792 nan 8.230 nan 0.000 0.439 931 Q N -1.534 118.452 119.800 0.311 0.000 2.592 931 Q HA -0.229 4.094 4.340 -0.029 0.000 0.219 931 Q C 1.264 177.460 176.000 0.326 0.000 0.984 931 Q CA 1.393 57.377 55.803 0.301 0.000 0.911 931 Q CB -0.328 28.580 28.738 0.283 0.000 0.962 931 Q HN 0.450 nan 8.270 nan 0.000 0.532 932 F N 0.226 120.196 119.950 0.033 0.000 2.653 932 F HA 0.183 4.693 4.527 -0.029 0.000 0.288 932 F C 0.943 176.732 175.800 -0.017 0.000 1.121 932 F CA -0.832 57.172 58.000 0.007 0.000 1.384 932 F CB 0.145 39.145 39.000 0.000 0.000 1.115 932 F HN -0.182 nan 8.300 nan 0.000 0.599 933 V N 2.416 122.434 119.914 0.173 0.000 3.032 933 V HA 0.019 4.122 4.120 -0.029 0.000 0.307 933 V C -2.077 174.024 176.094 0.012 0.000 1.097 933 V CA -1.020 61.297 62.300 0.029 0.000 1.191 933 V CB -0.287 31.547 31.823 0.019 0.000 0.964 933 V HN -0.039 nan 8.190 nan 0.000 0.494 934 P HA 0.362 nan 4.420 nan 0.000 0.300 934 P C -0.315 176.993 177.300 0.013 0.000 1.326 934 P CA -0.551 62.535 63.100 -0.023 0.000 0.844 934 P CB 0.660 32.332 31.700 -0.047 0.000 0.992 935 E N 1.381 121.596 120.200 0.026 0.000 2.328 935 E HA -0.245 4.088 4.350 -0.029 0.000 0.233 935 E C 0.815 177.455 176.600 0.066 0.000 1.219 935 E CA 0.014 56.437 56.400 0.038 0.000 0.717 935 E CB -1.470 28.255 29.700 0.043 0.000 1.210 935 E HN 0.522 nan 8.360 nan 0.000 0.381 936 L N 0.187 121.449 121.223 0.065 0.000 2.149 936 L HA -0.360 3.963 4.340 -0.029 0.000 0.223 936 L C 2.601 179.467 176.870 -0.007 0.000 1.089 936 L CA 2.695 57.593 54.840 0.097 0.000 0.800 936 L CB -0.294 41.779 42.059 0.023 0.000 0.897 936 L HN 0.343 nan 8.230 nan 0.000 0.443 937 K N 0.072 120.399 120.400 -0.121 0.000 1.978 937 K HA -0.245 4.058 4.320 -0.029 0.000 0.221 937 K C 1.741 178.310 176.600 -0.053 0.000 1.036 937 K CA 1.941 58.121 56.287 -0.179 0.000 0.996 937 K CB -0.345 32.084 32.500 -0.119 0.000 0.755 937 K HN 0.305 nan 8.250 nan 0.000 0.445 938 E N -0.229 119.973 120.200 0.003 0.000 2.233 938 E HA -0.276 4.057 4.350 -0.029 0.000 0.210 938 E C 1.844 178.487 176.600 0.072 0.000 1.046 938 E CA 1.893 58.315 56.400 0.036 0.000 0.844 938 E CB -0.390 29.340 29.700 0.051 0.000 0.741 938 E HN 0.384 nan 8.360 nan 0.000 0.465 939 F N 1.605 121.540 119.950 -0.026 0.000 2.022 939 F HA -0.171 4.339 4.527 -0.029 0.000 0.293 939 F C 2.361 178.156 175.800 -0.007 0.000 1.142 939 F CA 2.015 60.006 58.000 -0.015 0.000 1.177 939 F CB -1.019 37.970 39.000 -0.018 0.000 0.982 939 F HN -0.167 nan 8.300 nan 0.000 0.473 940 T N 1.731 115.989 114.554 -0.494 0.000 2.685 940 T HA -0.268 4.065 4.350 -0.029 0.000 0.268 940 T C 2.137 176.673 174.700 -0.273 0.000 1.034 940 T CA 1.810 63.612 62.100 -0.497 0.000 1.149 940 T CB -1.205 67.562 68.868 -0.168 0.000 0.860 940 T HN 0.466 nan 8.240 nan 0.000 0.449 941 A N 2.060 124.795 122.820 -0.142 0.000 1.862 941 A HA -0.264 4.039 4.320 -0.029 0.000 0.214 941 A C 2.106 179.645 177.584 -0.074 0.000 1.228 941 A CA 2.503 54.504 52.037 -0.060 0.000 0.665 941 A CB -1.079 17.909 19.000 -0.019 0.000 0.845 941 A HN 0.518 nan 8.150 nan 0.000 0.459 942 K N -0.564 119.802 120.400 -0.056 0.000 2.056 942 K HA -0.289 4.014 4.320 -0.029 0.000 0.225 942 K C 1.927 178.485 176.600 -0.069 0.000 1.053 942 K CA 2.373 58.640 56.287 -0.035 0.000 0.966 942 K CB -0.720 31.786 32.500 0.010 0.000 0.735 942 K HN 0.479 nan 8.250 nan 0.000 0.455 943 L N -0.111 121.015 121.223 -0.163 0.000 2.064 943 L HA -0.367 3.956 4.340 -0.029 0.000 0.234 943 L C 2.972 179.794 176.870 -0.080 0.000 1.103 943 L CA 2.310 57.051 54.840 -0.165 0.000 0.824 943 L CB -0.693 41.175 42.059 -0.318 0.000 0.919 943 L HN 0.400 nan 8.230 nan 0.000 0.447 944 R N -0.330 120.132 120.500 -0.063 0.000 2.061 944 R HA -0.142 4.181 4.340 -0.029 0.000 0.230 944 R C 2.431 178.726 176.300 -0.007 0.000 1.140 944 R CA 1.069 57.160 56.100 -0.016 0.000 0.940 944 R CB -0.152 30.154 30.300 0.010 0.000 0.839 944 R HN 0.119 nan 8.270 nan 0.000 0.429 945 K N 1.048 121.444 120.400 -0.008 0.000 2.173 945 K HA -0.231 4.072 4.320 -0.029 0.000 0.207 945 K C 1.706 178.308 176.600 0.003 0.000 1.046 945 K CA 1.631 57.919 56.287 0.002 0.000 0.929 945 K CB -0.099 32.403 32.500 0.004 0.000 0.720 945 K HN 0.386 nan 8.250 nan 0.000 0.453 946 E N -0.517 119.681 120.200 -0.003 0.000 2.045 946 E HA -0.105 4.228 4.350 -0.029 0.000 0.190 946 E C 1.945 178.547 176.600 0.003 0.000 0.968 946 E CA 0.265 56.667 56.400 0.003 0.000 0.813 946 E CB -0.156 29.546 29.700 0.003 0.000 0.780 946 E HN 0.067 nan 8.360 nan 0.000 0.455 947 L N 1.064 122.286 121.223 -0.003 0.000 2.263 947 L HA -0.149 4.173 4.340 -0.029 0.000 0.216 947 L C 1.988 178.861 176.870 0.006 0.000 1.111 947 L CA 1.097 55.938 54.840 0.001 0.000 0.773 947 L CB -0.278 41.778 42.059 -0.004 0.000 0.906 947 L HN 0.082 nan 8.230 nan 0.000 0.439 948 V N -0.559 119.359 119.914 0.007 0.000 2.221 948 V HA -0.303 3.800 4.120 -0.029 0.000 0.240 948 V C 2.425 178.525 176.094 0.011 0.000 1.041 948 V CA 1.911 64.217 62.300 0.011 0.000 0.991 948 V CB -0.582 31.248 31.823 0.012 0.000 0.634 948 V HN 0.522 nan 8.190 nan 0.000 0.450 949 E N -0.338 119.869 120.200 0.010 0.000 2.136 949 E HA -0.292 4.041 4.350 -0.029 0.000 0.202 949 E C 2.155 178.761 176.600 0.010 0.000 1.019 949 E CA 2.116 58.523 56.400 0.011 0.000 0.819 949 E CB -0.217 29.490 29.700 0.011 0.000 0.739 949 E HN 0.649 nan 8.360 nan 0.000 0.458 950 T N -0.406 114.154 114.554 0.009 0.000 2.653 950 T HA -0.231 4.102 4.350 -0.029 0.000 0.268 950 T C 1.941 176.647 174.700 0.009 0.000 1.035 950 T CA 1.592 63.698 62.100 0.009 0.000 1.154 950 T CB -0.379 68.494 68.868 0.008 0.000 0.862 950 T HN 0.151 nan 8.240 nan 0.000 0.441 951 S N 0.309 116.015 115.700 0.009 0.000 2.371 951 S HA -0.086 4.367 4.470 -0.029 0.000 0.224 951 S C 2.053 176.659 174.600 0.009 0.000 1.029 951 S CA 1.376 59.582 58.200 0.009 0.000 0.978 951 S CB -0.275 62.932 63.200 0.010 0.000 0.833 951 S HN 0.468 nan 8.310 nan 0.000 0.466 952 E N 0.331 120.537 120.200 0.010 0.000 2.333 952 E HA -0.049 4.284 4.350 -0.029 0.000 0.198 952 E C 1.588 178.194 176.600 0.010 0.000 1.007 952 E CA 0.932 57.338 56.400 0.010 0.000 0.845 952 E CB -0.072 29.635 29.700 0.011 0.000 0.766 952 E HN 0.413 nan 8.360 nan 0.000 0.507 953 V N 0.301 120.221 119.914 0.009 0.000 2.341 953 V HA -0.104 3.999 4.120 -0.029 0.000 0.240 953 V C 2.266 178.366 176.094 0.008 0.000 1.035 953 V CA 1.243 63.549 62.300 0.009 0.000 1.033 953 V CB -0.395 31.434 31.823 0.009 0.000 0.678 953 V HN 0.184 nan 8.190 nan 0.000 0.464 954 R N 0.968 121.473 120.500 0.008 0.000 2.097 954 R HA -0.244 4.079 4.340 -0.029 0.000 0.236 954 R C 2.233 178.537 176.300 0.006 0.000 1.135 954 R CA 2.002 58.106 56.100 0.007 0.000 0.934 954 R CB -0.990 29.314 30.300 0.006 0.000 0.846 954 R HN 0.474 nan 8.270 nan 0.000 0.431 955 K N 0.529 120.933 120.400 0.006 0.000 2.113 955 K HA -0.154 4.148 4.320 -0.029 0.000 0.208 955 K C 2.036 178.639 176.600 0.006 0.000 1.047 955 K CA 1.574 57.864 56.287 0.006 0.000 0.928 955 K CB -0.096 32.408 32.500 0.007 0.000 0.716 955 K HN 0.197 nan 8.250 nan 0.000 0.446 956 A N 0.709 123.533 122.820 0.008 0.000 1.835 956 A HA -0.126 4.177 4.320 -0.029 0.000 0.215 956 A C 2.207 179.796 177.584 0.009 0.000 1.199 956 A CA 1.812 53.855 52.037 0.008 0.000 0.615 956 A CB -0.962 18.043 19.000 0.009 0.000 0.838 956 A HN 0.138 nan 8.150 nan 0.000 0.444 957 V N 0.189 120.108 119.914 0.009 0.000 2.220 957 V HA -0.359 3.744 4.120 -0.029 0.000 0.250 957 V C 2.634 178.733 176.094 0.009 0.000 1.053 957 V CA 2.797 65.103 62.300 0.010 0.000 1.019 957 V CB -1.489 30.340 31.823 0.010 0.000 0.646 957 V HN 0.822 nan 8.190 nan 0.000 0.455 958 S N -0.238 115.465 115.700 0.006 0.000 2.426 958 S HA -0.390 4.063 4.470 -0.029 0.000 0.332 958 S C 1.709 176.310 174.600 0.003 0.000 1.213 958 S CA 2.991 61.192 58.200 0.002 0.000 1.436 958 S CB -0.763 62.437 63.200 -0.000 0.000 1.351 958 S HN 0.446 nan 8.310 nan 0.000 0.474 959 I N 1.463 122.036 120.570 0.005 0.000 2.058 959 I HA -0.164 3.989 4.170 -0.029 0.000 0.235 959 I C 2.888 179.013 176.117 0.013 0.000 1.053 959 I CA 2.005 63.309 61.300 0.007 0.000 1.313 959 I CB -0.693 37.312 38.000 0.007 0.000 1.039 959 I HN 0.436 nan 8.210 nan 0.000 0.396 960 E N 0.569 120.778 120.200 0.015 0.000 2.147 960 E HA -0.214 4.118 4.350 -0.029 0.000 0.199 960 E C 2.082 178.697 176.600 0.026 0.000 1.005 960 E CA 2.036 58.447 56.400 0.019 0.000 0.810 960 E CB -0.391 29.319 29.700 0.016 0.000 0.736 960 E HN 0.547 nan 8.360 nan 0.000 0.460 961 T N 1.141 115.709 114.554 0.025 0.000 2.542 961 T HA -0.124 4.209 4.350 -0.029 0.000 0.257 961 T C 1.863 176.595 174.700 0.053 0.000 1.111 961 T CA 1.742 63.862 62.100 0.034 0.000 1.203 961 T CB -0.469 68.415 68.868 0.026 0.000 0.866 961 T HN 0.302 nan 8.240 nan 0.000 0.399 962 A N 0.456 123.297 122.820 0.035 0.000 2.272 962 A HA 0.049 4.352 4.320 -0.029 0.000 0.213 962 A C 2.074 179.697 177.584 0.066 0.000 1.183 962 A CA 0.732 52.787 52.037 0.031 0.000 0.719 962 A CB -0.789 18.183 19.000 -0.048 0.000 0.771 962 A HN 0.381 nan 8.150 nan 0.000 0.484 963 L N -0.413 120.845 121.223 0.058 0.000 2.084 963 L HA -0.006 4.316 4.340 -0.029 0.000 0.202 963 L C 2.184 179.096 176.870 0.070 0.000 1.074 963 L CA 1.982 56.854 54.840 0.053 0.000 0.757 963 L CB -0.467 41.611 42.059 0.033 0.000 0.918 963 L HN 0.484 nan 8.230 nan 0.000 0.444 964 E N -1.350 118.889 120.200 0.065 0.000 2.209 964 E HA -0.285 4.048 4.350 -0.029 0.000 0.196 964 E C 1.918 178.554 176.600 0.061 0.000 0.993 964 E CA 1.036 57.465 56.400 0.049 0.000 0.819 964 E CB -0.315 29.407 29.700 0.037 0.000 0.745 964 E HN 0.549 nan 8.360 nan 0.000 0.477 965 H N 1.771 120.843 119.070 0.004 0.000 2.299 965 H HA -0.001 4.538 4.556 -0.029 0.000 0.302 965 H C 1.664 176.994 175.328 0.004 0.000 1.078 965 H CA 1.384 57.435 56.048 0.004 0.000 1.323 965 H CB 0.246 30.011 29.762 0.004 0.000 1.381 965 H HN 0.001 nan 8.280 nan 0.000 0.498 966 K N 0.238 120.781 120.400 0.238 0.000 2.442 966 K HA -0.047 4.255 4.320 -0.029 0.000 0.198 966 K C 2.155 178.795 176.600 0.066 0.000 1.044 966 K CA 0.673 57.051 56.287 0.151 0.000 0.948 966 K CB 0.395 32.952 32.500 0.095 0.000 0.762 966 K HN 0.098 nan 8.250 nan 0.000 0.472 967 V N 0.322 120.262 119.914 0.043 0.000 2.249 967 V HA -0.195 3.908 4.120 -0.029 0.000 0.239 967 V C 2.208 178.295 176.094 -0.011 0.000 1.038 967 V CA 1.114 63.422 62.300 0.014 0.000 1.005 967 V CB -0.365 31.465 31.823 0.012 0.000 0.646 967 V HN -0.007 nan 8.190 nan 0.000 0.455 968 V N 0.695 120.585 119.914 -0.038 0.000 2.220 968 V HA -0.298 3.805 4.120 -0.029 0.000 0.250 968 V C 1.551 177.604 176.094 -0.068 0.000 1.053 968 V CA 2.023 64.282 62.300 -0.069 0.000 1.019 968 V CB -0.856 30.892 31.823 -0.125 0.000 0.646 968 V HN 0.599 nan 8.190 nan 0.000 0.455 969 N N 0.261 118.899 118.700 -0.103 0.000 2.260 969 N HA 0.092 4.815 4.740 -0.029 0.000 0.270 969 N C 0.745 176.248 175.510 -0.012 0.000 1.281 969 N CA 1.050 54.063 53.050 -0.062 0.000 0.918 969 N CB -0.094 38.351 38.487 -0.071 0.000 1.028 969 N HN 0.467 nan 8.380 nan 0.000 0.482 970 G N -0.672 108.133 108.800 0.008 0.000 4.238 970 G HA2 0.160 4.103 3.960 -0.029 0.000 0.292 970 G HA3 0.160 4.103 3.960 -0.029 0.000 0.292 970 G C -0.616 174.301 174.900 0.029 0.000 1.036 970 G CA -0.187 44.923 45.100 0.016 0.000 0.812 970 G HN 0.570 nan 8.290 nan 0.000 0.489 971 N N -0.843 117.886 118.700 0.048 0.000 4.261 971 N HA 0.083 4.806 4.740 -0.029 0.000 0.330 971 N C -0.471 175.071 175.510 0.053 0.000 2.191 971 N CA 0.916 53.998 53.050 0.053 0.000 2.840 971 N CB -1.173 37.334 38.487 0.034 0.000 0.342 971 N HN 1.184 nan 8.380 nan 0.000 0.641 972 S N -0.371 115.362 115.700 0.055 0.000 2.365 972 S HA 0.754 5.207 4.470 -0.029 0.000 0.319 972 S C -0.487 174.131 174.600 0.030 0.000 0.851 972 S CA 0.690 58.917 58.200 0.045 0.000 0.875 972 S CB 0.146 63.381 63.200 0.058 0.000 1.190 972 S HN 1.933 nan 8.310 nan 0.000 0.448 973 A N 0.918 123.746 122.820 0.013 0.000 2.499 973 A HA 0.980 5.283 4.320 -0.029 0.000 0.302 973 A C 0.057 177.639 177.584 -0.003 0.000 0.926 973 A CA 1.314 53.350 52.037 -0.002 0.000 0.584 973 A CB -0.976 18.010 19.000 -0.023 0.000 1.410 973 A HN 2.976 nan 8.150 nan 0.000 0.464 974 D N -1.767 118.628 120.400 -0.007 0.000 10.484 974 D HA 0.491 5.114 4.640 -0.029 0.000 0.318 974 D C 0.480 176.780 176.300 -0.001 0.000 3.002 974 D CA 1.290 55.287 54.000 -0.005 0.000 2.679 974 D CB -1.378 39.417 40.800 -0.007 0.000 1.149 974 D HN 2.537 nan 8.370 nan 0.000 0.891 975 A N 0.874 123.693 122.820 -0.000 0.000 2.420 975 A HA 1.096 5.399 4.320 -0.029 0.000 0.291 975 A C 1.250 178.835 177.584 0.002 0.000 1.228 975 A CA 0.721 52.760 52.037 0.003 0.000 0.933 975 A CB 0.668 19.670 19.000 0.004 0.000 1.428 975 A HN 2.486 nan 8.150 nan 0.000 0.493 976 A N -2.951 119.871 122.820 0.004 0.000 2.272 976 A HA 0.561 4.864 4.320 -0.029 0.000 0.275 976 A C 0.431 178.015 177.584 0.001 0.000 1.096 976 A CA 0.526 52.565 52.037 0.003 0.000 0.822 976 A CB -0.259 18.745 19.000 0.006 0.000 1.088 976 A HN 2.098 nan 8.150 nan 0.000 0.495 977 Y N -1.599 118.700 120.300 -0.001 0.000 2.585 977 Y HA 0.566 5.099 4.550 -0.029 0.000 0.272 977 Y C 1.314 177.213 175.900 -0.001 0.000 1.119 977 Y CA 0.705 58.803 58.100 -0.002 0.000 1.255 977 Y CB -1.235 37.221 38.460 -0.007 0.000 1.284 977 Y HN 2.575 nan 8.280 nan 0.000 0.499 985 R N -0.242 120.259 120.500 0.002 0.000 3.136 985 R HA 0.649 4.972 4.340 -0.029 0.000 0.288 985 R C 0.836 177.152 176.300 0.028 0.000 0.985 985 R CA 1.917 58.029 56.100 0.020 0.000 1.183 985 R CB -0.753 29.564 30.300 0.027 0.000 1.167 985 R HN 2.558 nan 8.270 nan 0.000 0.509 986 A N -2.219 120.628 122.820 0.046 0.000 2.608 986 A HA 0.616 4.919 4.320 -0.029 0.000 0.292 986 A C 0.811 178.442 177.584 0.078 0.000 1.066 986 A CA 0.434 52.505 52.037 0.057 0.000 0.676 986 A CB -0.057 18.979 19.000 0.060 0.000 1.277 986 A HN 1.940 nan 8.150 nan 0.000 0.413 987 N N -0.020 118.731 118.700 0.085 0.000 1.998 987 N HA 0.412 5.135 4.740 -0.029 0.000 0.183 987 N C 2.005 177.605 175.510 0.149 0.000 1.109 987 N CA 3.625 56.741 53.050 0.109 0.000 0.927 987 N CB -1.130 37.406 38.487 0.081 0.000 1.036 987 N HN 2.706 nan 8.380 nan 0.000 0.460 988 I N -2.731 117.974 120.570 0.225 0.000 5.825 988 I HA 0.284 4.437 4.170 -0.029 0.000 0.126 988 I C 0.706 176.941 176.117 0.196 0.000 1.817 988 I CA 1.953 63.406 61.300 0.255 0.000 2.037 988 I CB -3.037 35.052 38.000 0.149 0.000 3.397 988 I HN 1.866 nan 8.210 nan 0.000 0.169 989 Q N 0.658 120.650 119.800 0.321 0.000 2.371 989 Q HA 0.616 4.939 4.340 -0.029 0.000 0.254 989 Q C 0.869 176.891 176.000 0.037 0.000 1.264 989 Q CA 0.895 56.842 55.803 0.240 0.000 0.904 989 Q CB -0.145 28.806 28.738 0.354 0.000 1.507 989 Q HN 1.644 nan 8.270 nan 0.000 0.495 990 L N 1.765 122.894 121.223 -0.156 0.000 2.592 990 L HA 0.105 4.428 4.340 -0.029 0.000 0.227 990 L C 0.451 177.056 176.870 -0.442 0.000 1.127 990 L CA 0.386 54.920 54.840 -0.510 0.000 0.884 990 L CB -0.104 41.643 42.059 -0.520 0.000 1.065 990 L HN 1.032 nan 8.230 nan 0.000 0.457 991 D N 0.235 120.516 120.400 -0.198 0.000 9.364 991 D HA -0.309 4.314 4.640 -0.029 0.000 0.298 991 D C -0.628 175.680 176.300 0.014 0.000 2.555 991 D CA 0.451 54.411 54.000 -0.066 0.000 2.291 991 D CB -0.497 40.133 40.800 -0.283 0.000 1.031 991 D HN -0.147 nan 8.370 nan 0.000 0.758 992 F N 2.938 122.878 119.950 -0.016 0.000 2.471 992 F HA 0.379 4.889 4.527 -0.029 0.000 0.353 992 F C -1.086 174.804 175.800 0.151 0.000 1.113 992 F CA -0.889 57.145 58.000 0.057 0.000 1.262 992 F CB -0.036 39.026 39.000 0.103 0.000 1.146 992 F HN 0.351 nan 8.300 nan 0.000 0.578 993 P HA -0.193 nan 4.420 nan 0.000 0.031 993 P C -0.627 176.764 177.300 0.152 0.000 0.900 993 P CA 0.472 63.623 63.100 0.084 0.000 1.031 993 P CB -0.273 31.369 31.700 -0.097 0.000 1.884 994 E N 3.506 123.808 120.200 0.169 0.000 2.445 994 E HA 0.273 4.606 4.350 -0.029 0.000 0.189 994 E C 0.671 177.344 176.600 0.122 0.000 1.069 994 E CA -0.329 56.197 56.400 0.210 0.000 0.871 994 E CB -0.110 29.690 29.700 0.168 0.000 0.991 994 E HN 0.449 nan 8.360 nan 0.000 0.481 995 L N 1.346 122.593 121.223 0.040 0.000 3.089 995 L HA -0.215 4.108 4.340 -0.029 0.000 0.511 995 L C -0.449 176.432 176.870 0.018 0.000 1.002 995 L CA 0.484 55.330 54.840 0.010 0.000 1.246 995 L CB -0.180 41.900 42.059 0.034 0.000 1.087 995 L HN 0.228 nan 8.230 nan 0.000 0.591 996 K N 5.325 125.703 120.400 -0.037 0.000 2.273 996 K HA 0.377 4.680 4.320 -0.029 0.000 0.287 996 K C -1.643 174.916 176.600 -0.070 0.000 1.089 996 K CA -1.371 54.884 56.287 -0.053 0.000 0.909 996 K CB 0.636 33.055 32.500 -0.135 0.000 1.123 996 K HN 0.325 nan 8.250 nan 0.000 0.473 997 P HA -0.005 nan 4.420 nan 0.000 0.272 997 P C -0.614 176.676 177.300 -0.015 0.000 1.254 997 P CA -0.219 62.895 63.100 0.022 0.000 0.795 997 P CB 0.477 32.211 31.700 0.058 0.000 1.022 998 Y N 0.372 120.692 120.300 0.033 0.000 2.320 998 Y HA 0.167 4.700 4.550 -0.029 0.000 0.334 998 Y C 1.248 177.108 175.900 -0.066 0.000 1.055 998 Y CA -0.489 57.632 58.100 0.035 0.000 1.143 998 Y CB 0.819 39.300 38.460 0.035 0.000 1.193 998 Y HN 0.431 nan 8.280 nan 0.000 0.477 999 K N 3.644 124.142 120.400 0.163 0.000 2.544 999 K HA -0.330 3.973 4.320 -0.029 0.000 0.260 999 K C 0.381 176.924 176.600 -0.095 0.000 1.038 999 K CA 1.389 57.550 56.287 -0.210 0.000 1.064 999 K CB 0.115 32.576 32.500 -0.065 0.000 0.760 999 K HN 0.976 nan 8.250 nan 0.000 0.460 1000 Q N -1.506 118.189 119.800 -0.174 0.000 2.108 1000 Q HA -0.317 4.006 4.340 -0.029 0.000 0.173 1000 Q C 1.474 177.438 176.000 -0.058 0.000 2.879 1000 Q CA 2.241 57.989 55.803 -0.092 0.000 0.364 1000 Q CB -1.849 26.857 28.738 -0.054 0.000 0.359 1000 Q HN 0.596 nan 8.270 nan 0.000 0.457 1001 V N 1.281 121.178 119.914 -0.029 0.000 2.828 1001 V HA -0.246 3.856 4.120 -0.029 0.000 0.260 1001 V C 2.142 178.229 176.094 -0.013 0.000 1.101 1001 V CA 2.307 64.606 62.300 -0.002 0.000 1.123 1001 V CB -0.517 31.327 31.823 0.035 0.000 0.704 1001 V HN 0.278 nan 8.190 nan 0.000 0.493 1002 K N -0.330 120.031 120.400 -0.065 0.000 2.067 1002 K HA -0.040 4.262 4.320 -0.029 0.000 0.203 1002 K C 2.066 178.644 176.600 -0.038 0.000 1.048 1002 K CA 0.770 57.018 56.287 -0.065 0.000 0.954 1002 K CB -0.170 32.197 32.500 -0.220 0.000 0.737 1002 K HN 0.469 nan 8.250 nan 0.000 0.444 1003 Q N 0.863 120.622 119.800 -0.069 0.000 2.515 1003 Q HA -0.098 4.225 4.340 -0.029 0.000 0.215 1003 Q C 1.801 177.778 176.000 -0.040 0.000 0.983 1003 Q CA 0.663 56.435 55.803 -0.050 0.000 0.905 1003 Q CB -0.234 28.469 28.738 -0.057 0.000 0.961 1003 Q HN 0.393 nan 8.270 nan 0.000 0.503 1004 I N 0.438 120.990 120.570 -0.030 0.000 2.138 1004 I HA -0.252 3.901 4.170 -0.029 0.000 0.225 1004 I C 2.394 178.487 176.117 -0.039 0.000 1.057 1004 I CA 0.760 62.047 61.300 -0.023 0.000 1.343 1004 I CB -0.839 37.157 38.000 -0.005 0.000 1.118 1004 I HN 0.120 nan 8.210 nan 0.000 0.395 1005 A N 1.778 124.580 122.820 -0.029 0.000 1.870 1005 A HA -0.171 4.131 4.320 -0.029 0.000 0.219 1005 A C -1.183 176.265 177.584 -0.227 0.000 1.286 1005 A CA 1.730 53.719 52.037 -0.079 0.000 0.682 1005 A CB -2.785 16.224 19.000 0.015 0.000 0.844 1005 A HN 0.381 nan 8.150 nan 0.000 0.460 1006 P HA 0.259 nan 4.420 nan 0.000 0.265 1006 P C -0.561 176.658 177.300 -0.135 0.000 1.193 1006 P CA 0.561 63.476 63.100 -0.308 0.000 0.765 1006 P CB 0.558 32.142 31.700 -0.193 0.000 0.823 1007 A N 3.509 126.274 122.820 -0.093 0.000 2.535 1007 A HA -0.012 4.291 4.320 -0.029 0.000 0.290 1007 A C 1.432 179.012 177.584 -0.006 0.000 1.270 1007 A CA -0.060 51.962 52.037 -0.025 0.000 0.937 1007 A CB -0.677 18.335 19.000 0.020 0.000 1.096 1007 A HN 0.554 nan 8.150 nan 0.000 0.534 1008 E N 2.027 122.217 120.200 -0.016 0.000 2.510 1008 E HA -0.119 4.214 4.350 -0.029 0.000 0.202 1008 E C 0.575 177.178 176.600 0.005 0.000 1.072 1008 E CA 0.502 56.895 56.400 -0.011 0.000 0.883 1008 E CB -0.069 29.620 29.700 -0.019 0.000 0.818 1008 E HN 0.749 nan 8.360 nan 0.000 0.548 1009 L N 0.820 122.056 121.223 0.021 0.000 2.786 1009 L HA -0.076 4.246 4.340 -0.029 0.000 0.250 1009 L C 1.818 178.720 176.870 0.054 0.000 1.151 1009 L CA 0.843 55.704 54.840 0.036 0.000 0.910 1009 L CB -0.252 41.837 42.059 0.051 0.000 1.082 1009 L HN -0.085 nan 8.230 nan 0.000 0.433 1010 E N -0.816 119.409 120.200 0.041 0.000 2.279 1010 E HA 0.227 4.559 4.350 -0.029 0.000 0.199 1010 E C 1.671 178.275 176.600 0.006 0.000 0.893 1010 E CA 0.787 57.211 56.400 0.041 0.000 0.978 1010 E CB -0.265 29.464 29.700 0.048 0.000 0.964 1010 E HN 0.213 nan 8.360 nan 0.000 0.486 1011 G N 2.389 111.184 108.800 -0.008 0.000 2.672 1011 G HA2 -0.332 3.611 3.960 -0.029 0.000 0.324 1011 G HA3 -0.332 3.611 3.960 -0.029 0.000 0.324 1011 G C 0.033 174.915 174.900 -0.030 0.000 1.286 1011 G CA 0.772 45.862 45.100 -0.017 0.000 1.004 1011 G HN 0.230 nan 8.290 nan 0.000 0.548 1012 L N 1.078 122.285 121.223 -0.026 0.000 2.344 1012 L HA 0.828 5.151 4.340 -0.029 0.000 0.272 1012 L C 0.855 177.709 176.870 -0.026 0.000 1.035 1012 L CA 0.487 55.305 54.840 -0.036 0.000 0.807 1012 L CB 1.551 43.591 42.059 -0.031 0.000 1.237 1012 L HN 1.432 nan 8.230 nan 0.000 0.442 1013 L N 0.104 121.309 121.223 -0.030 0.000 5.496 1013 L HA 0.186 4.509 4.340 -0.029 0.000 0.570 1013 L C -1.310 175.545 176.870 -0.025 0.000 0.655 1013 L CA 0.553 55.383 54.840 -0.016 0.000 2.355 1013 L CB -0.671 41.386 42.059 -0.004 0.000 1.736 1013 L HN 0.634 nan 8.230 nan 0.000 0.541 1014 D N 0.462 120.838 120.400 -0.039 0.000 2.662 1014 D HA 0.221 4.844 4.640 -0.029 0.000 0.132 1014 D C 0.694 176.966 176.300 -0.047 0.000 1.465 1014 D CA 0.292 54.264 54.000 -0.045 0.000 1.524 1014 D CB 0.370 41.145 40.800 -0.041 0.000 1.871 1014 D HN 0.117 nan 8.370 nan 0.000 0.213 1015 L N 0.685 121.873 121.223 -0.059 0.000 3.760 1015 L HA -0.352 3.971 4.340 -0.029 0.000 0.513 1015 L C 1.110 177.950 176.870 -0.049 0.000 1.173 1015 L CA 2.071 56.873 54.840 -0.065 0.000 0.822 1015 L CB -0.131 41.882 42.059 -0.076 0.000 0.237 1015 L HN 0.858 nan 8.230 nan 0.000 0.940 1016 E N -0.880 119.290 120.200 -0.050 0.000 4.086 1016 E HA -0.263 4.069 4.350 -0.029 0.000 0.363 1016 E C 0.528 177.111 176.600 -0.029 0.000 0.616 1016 E CA 1.737 58.114 56.400 -0.038 0.000 1.293 1016 E CB -0.278 29.402 29.700 -0.035 0.000 1.747 1016 E HN 0.641 nan 8.360 nan 0.000 0.405 1017 R N 0.311 120.793 120.500 -0.029 0.000 2.668 1017 R HA 0.308 4.631 4.340 -0.029 0.000 0.435 1017 R C -0.782 175.515 176.300 -0.004 0.000 1.059 1017 R CA 0.230 56.319 56.100 -0.020 0.000 1.073 1017 R CB 1.972 32.255 30.300 -0.028 0.000 1.401 1017 R HN -0.009 nan 8.270 nan 0.000 0.590 1018 V N 1.726 121.636 119.914 -0.007 0.000 2.540 1018 V HA 0.475 4.578 4.120 -0.029 0.000 0.302 1018 V C -0.801 175.293 176.094 0.000 0.000 1.035 1018 V CA -0.846 61.466 62.300 0.019 0.000 0.873 1018 V CB 1.743 33.564 31.823 -0.003 0.000 0.992 1018 V HN 0.071 nan 8.190 nan 0.000 0.428 1019 I N 6.701 127.284 120.570 0.021 0.000 2.437 1019 I HA 0.645 4.797 4.170 -0.029 0.000 0.298 1019 I C -0.092 176.026 176.117 0.002 0.000 0.984 1019 I CA -0.336 60.969 61.300 0.008 0.000 1.214 1019 I CB 1.720 39.730 38.000 0.016 0.000 1.365 1019 I HN 0.371 nan 8.210 nan 0.000 0.469 1020 V N 5.301 125.210 119.914 -0.008 0.000 3.087 1020 V HA 0.357 4.459 4.120 -0.029 0.000 0.306 1020 V C -0.421 175.683 176.094 0.016 0.000 1.187 1020 V CA -0.831 61.462 62.300 -0.013 0.000 0.999 1020 V CB 2.851 34.642 31.823 -0.053 0.000 1.049 1020 V HN 0.366 nan 8.190 nan 0.000 0.431 1021 V N 2.567 122.499 119.914 0.030 0.000 2.405 1021 V HA 0.172 4.275 4.120 -0.029 0.000 0.264 1021 V C 1.183 177.399 176.094 0.204 0.000 1.048 1021 V CA 0.417 62.767 62.300 0.082 0.000 0.966 1021 V CB 0.673 32.495 31.823 -0.001 0.000 1.015 1021 V HN 1.099 nan 8.190 nan 0.000 0.477 1022 T N 3.155 117.830 114.554 0.200 0.000 2.976 1022 T HA 0.242 4.575 4.350 -0.029 0.000 0.257 1022 T C 0.805 175.786 174.700 0.470 0.000 1.051 1022 T CA 1.003 63.235 62.100 0.221 0.000 1.141 1022 T CB 0.301 69.242 68.868 0.122 0.000 0.881 1022 T HN 0.833 nan 8.240 nan 0.000 0.461 1023 G N 0.885 109.941 108.800 0.427 0.000 2.704 1023 G HA2 0.576 4.519 3.960 -0.029 0.000 0.293 1023 G HA3 0.576 4.519 3.960 -0.029 0.000 0.293 1023 G C -1.904 173.245 174.900 0.414 0.000 1.421 1023 G CA -0.883 44.502 45.100 0.475 0.000 0.870 1023 G HN 0.218 nan 8.290 nan 0.000 0.492 1024 F N -1.465 118.476 119.950 -0.015 0.000 2.770 1024 F HA 0.937 5.447 4.527 -0.029 0.000 0.313 1024 F C -0.821 174.961 175.800 -0.029 0.000 1.154 1024 F CA -1.680 56.302 58.000 -0.029 0.000 0.923 1024 F CB 1.153 40.090 39.000 -0.104 0.000 1.301 1024 F HN 1.675 nan 8.300 nan 0.000 0.449 1025 A N 1.391 124.024 122.820 -0.313 0.000 2.581 1025 A HA 0.637 4.939 4.320 -0.029 0.000 0.294 1025 A C -1.863 175.659 177.584 -0.104 0.000 1.035 1025 A CA -0.337 51.474 52.037 -0.377 0.000 0.684 1025 A CB 1.378 20.269 19.000 -0.182 0.000 1.282 1025 A HN 1.307 nan 8.150 nan 0.000 0.417 1026 E N 0.478 120.629 120.200 -0.082 0.000 2.272 1026 E HA 0.653 4.986 4.350 -0.029 0.000 0.269 1026 E C -1.343 175.346 176.600 0.147 0.000 0.877 1026 E CA -1.055 55.410 56.400 0.108 0.000 0.755 1026 E CB 2.179 31.854 29.700 -0.041 0.000 1.192 1026 E HN 0.493 nan 8.360 nan 0.000 0.422 1027 V N 2.149 122.232 119.914 0.282 0.000 2.239 1027 V HA 0.624 4.727 4.120 -0.029 0.000 0.267 1027 V C 0.216 176.483 176.094 0.288 0.000 1.056 1027 V CA -0.110 62.321 62.300 0.218 0.000 0.830 1027 V CB 0.295 32.216 31.823 0.164 0.000 1.090 1027 V HN 0.805 nan 8.190 nan 0.000 0.459 1028 G N 3.220 112.252 108.800 0.387 0.000 2.798 1028 G HA2 0.657 4.600 3.960 -0.029 0.000 0.286 1028 G HA3 0.657 4.600 3.960 -0.029 0.000 0.286 1028 G C -1.882 173.452 174.900 0.723 0.000 1.389 1028 G CA -1.342 44.169 45.100 0.685 0.000 0.894 1028 G HN 0.285 nan 8.290 nan 0.000 0.488 1029 P HA -0.162 nan 4.420 nan 0.000 0.225 1029 P C -0.532 176.478 177.300 -0.484 0.000 1.155 1029 P CA 1.532 64.541 63.100 -0.152 0.000 0.863 1029 P CB 0.032 31.622 31.700 -0.182 0.000 0.774 1030 W N -1.019 120.347 121.300 0.110 0.000 2.844 1030 W HA 0.606 5.249 4.660 -0.028 0.000 0.340 1030 W C 0.472 177.090 176.519 0.166 0.000 1.093 1030 W CA -0.743 56.676 57.345 0.123 0.000 1.212 1030 W CB 0.342 29.862 29.460 0.100 0.000 1.422 1030 W HN -0.172 nan 8.180 nan 0.000 0.515 1031 G N 1.907 110.934 108.800 0.378 0.000 2.228 1031 G HA2 0.150 4.093 3.960 -0.029 0.000 0.242 1031 G HA3 0.150 4.093 3.960 -0.029 0.000 0.242 1031 G C 0.428 175.492 174.900 0.273 0.000 0.987 1031 G CA 0.109 45.398 45.100 0.316 0.000 0.893 1031 G HN 0.788 nan 8.290 nan 0.000 0.418 1032 S N 2.486 118.340 115.700 0.257 0.000 3.799 1032 S HA 0.164 4.616 4.470 -0.029 0.000 0.454 1032 S C 1.698 176.343 174.600 0.075 0.000 1.130 1032 S CA 0.798 59.091 58.200 0.155 0.000 0.966 1032 S CB -0.449 62.844 63.200 0.154 0.000 0.680 1032 S HN 2.471 nan 8.310 nan 0.000 0.496 1033 A N 5.203 128.002 122.820 -0.036 0.000 5.326 1033 A HA -0.434 3.869 4.320 -0.029 0.000 0.379 1033 A C 1.940 179.540 177.584 0.025 0.000 1.574 1033 A CA 2.826 54.794 52.037 -0.115 0.000 0.834 1033 A CB -1.858 16.931 19.000 -0.351 0.000 1.524 1033 A HN 1.234 nan 8.150 nan 0.000 0.448 1034 R N -2.453 118.059 120.500 0.019 0.000 2.589 1034 R HA -0.354 3.969 4.340 -0.029 0.000 0.146 1034 R C 2.057 178.464 176.300 0.178 0.000 0.641 1034 R CA 3.060 59.232 56.100 0.119 0.000 0.238 1034 R CB -2.052 28.326 30.300 0.130 0.000 0.605 1034 R HN 0.893 nan 8.270 nan 0.000 0.237 1035 T N 0.746 115.436 114.554 0.226 0.000 2.529 1035 T HA -0.235 4.098 4.350 -0.029 0.000 0.261 1035 T C 1.653 176.489 174.700 0.227 0.000 1.110 1035 T CA 2.347 64.660 62.100 0.354 0.000 1.192 1035 T CB -0.368 68.754 68.868 0.422 0.000 0.864 1035 T HN 0.456 nan 8.240 nan 0.000 0.407 1036 R N 1.321 121.924 120.500 0.173 0.000 2.119 1036 R HA -0.128 4.194 4.340 -0.029 0.000 0.246 1036 R C 2.248 178.443 176.300 -0.174 0.000 1.146 1036 R CA 1.723 57.768 56.100 -0.092 0.000 0.962 1036 R CB -1.733 28.507 30.300 -0.100 0.000 0.863 1036 R HN 0.717 nan 8.270 nan 0.000 0.442 1037 W N 2.048 123.202 121.300 -0.244 0.000 2.317 1037 W HA -0.228 4.414 4.660 -0.029 0.000 0.318 1037 W C 1.377 177.628 176.519 -0.447 0.000 1.227 1037 W CA 1.889 59.063 57.345 -0.285 0.000 1.269 1037 W CB -0.105 29.219 29.460 -0.225 0.000 1.155 1037 W HN 0.284 nan 8.180 nan 0.000 0.484 1038 E N -0.385 119.492 120.200 -0.538 0.000 2.187 1038 E HA -0.299 4.033 4.350 -0.029 0.000 0.199 1038 E C 2.134 178.103 176.600 -1.052 0.000 1.004 1038 E CA 1.715 57.548 56.400 -0.945 0.000 0.813 1038 E CB -0.290 29.094 29.700 -0.527 0.000 0.736 1038 E HN 0.312 nan 8.360 nan 0.000 0.468 1039 M N -0.402 118.704 119.600 -0.823 0.000 2.325 1039 M HA -0.069 4.394 4.480 -0.029 0.000 0.265 1039 M C 2.203 178.096 176.300 -0.679 0.000 1.094 1039 M CA 1.004 55.804 55.300 -0.834 0.000 1.161 1039 M CB -0.535 31.425 32.600 -1.067 0.000 1.358 1039 M HN -0.000 nan 8.290 nan 0.000 0.446 1040 E N 0.635 120.479 120.200 -0.594 0.000 2.204 1040 E HA -0.107 4.225 4.350 -0.029 0.000 0.195 1040 E C 1.659 177.958 176.600 -0.502 0.000 0.990 1040 E CA 1.572 57.727 56.400 -0.407 0.000 0.821 1040 E CB 0.138 29.753 29.700 -0.143 0.000 0.750 1040 E HN 0.371 nan 8.360 nan 0.000 0.477 1041 A N -0.419 121.867 122.820 -0.890 0.000 1.849 1041 A HA 0.212 4.514 4.320 -0.029 0.000 0.214 1041 A C 0.654 178.131 177.584 -0.178 0.000 1.269 1041 A CA 1.056 52.568 52.037 -0.875 0.000 0.605 1041 A CB -0.296 17.670 19.000 -1.723 0.000 0.937 1041 A HN 0.275 nan 8.150 nan 0.000 0.461 1042 F N -2.870 116.786 119.950 -0.490 0.000 3.064 1042 F HA 0.705 5.215 4.527 -0.029 0.000 0.322 1042 F C 1.701 177.303 175.800 -0.329 0.000 1.463 1042 F CA -0.910 56.898 58.000 -0.319 0.000 1.044 1042 F CB -0.308 38.539 39.000 -0.255 0.000 1.743 1042 F HN 0.140 nan 8.300 nan 0.000 0.423 1043 G N -1.022 107.755 108.800 -0.038 0.000 2.729 1043 G HA2 0.148 4.091 3.960 -0.029 0.000 0.211 1043 G HA3 0.148 4.091 3.960 -0.029 0.000 0.211 1043 G C 0.441 175.157 174.900 -0.306 0.000 1.182 1043 G CA -0.072 44.923 45.100 -0.175 0.000 0.851 1043 G HN 0.382 nan 8.290 nan 0.000 0.607 1044 E N -0.719 119.382 120.200 -0.165 0.000 2.766 1044 E HA 0.239 4.572 4.350 -0.029 0.000 0.261 1044 E C 0.523 176.890 176.600 -0.389 0.000 1.427 1044 E CA -0.068 56.234 56.400 -0.162 0.000 1.085 1044 E CB 0.444 30.159 29.700 0.026 0.000 1.074 1044 E HN 0.212 nan 8.360 nan 0.000 0.651 1045 F N -0.595 119.374 119.950 0.032 0.000 2.581 1045 F HA 0.007 4.516 4.527 -0.029 0.000 0.278 1045 F C 0.368 176.205 175.800 0.062 0.000 1.000 1045 F CA 0.612 58.632 58.000 0.033 0.000 1.230 1045 F CB 0.083 39.124 39.000 0.069 0.000 1.008 1045 F HN 0.455 nan 8.300 nan 0.000 0.695 1046 S N 1.380 117.238 115.700 0.263 0.000 3.285 1046 S HA -0.231 4.222 4.470 -0.029 0.000 0.852 1046 S C 0.565 175.275 174.600 0.183 0.000 1.066 1046 S CA -0.011 58.299 58.200 0.184 0.000 1.184 1046 S CB -1.814 61.479 63.200 0.154 0.000 0.953 1046 S HN 0.451 nan 8.310 nan 0.000 0.299 1047 L N 1.764 123.074 121.223 0.145 0.000 3.637 1047 L HA -0.459 3.864 4.340 -0.029 0.000 0.119 1047 L C 2.843 179.805 176.870 0.152 0.000 3.802 1047 L CA 2.229 57.146 54.840 0.129 0.000 1.267 1047 L CB -1.795 40.327 42.059 0.107 0.000 3.122 1047 L HN 1.056 nan 8.230 nan 0.000 0.622 1048 E N 0.787 121.078 120.200 0.153 0.000 2.245 1048 E HA -0.305 4.028 4.350 -0.029 0.000 0.217 1048 E C 1.849 178.570 176.600 0.202 0.000 1.069 1048 E CA 2.195 58.698 56.400 0.173 0.000 0.877 1048 E CB -1.067 28.732 29.700 0.165 0.000 0.757 1048 E HN 0.803 nan 8.360 nan 0.000 0.464 1049 G N 1.005 109.941 108.800 0.226 0.000 2.473 1049 G HA2 -0.211 3.732 3.960 -0.029 0.000 0.212 1049 G HA3 -0.211 3.732 3.960 -0.029 0.000 0.212 1049 G C 1.865 176.911 174.900 0.243 0.000 1.211 1049 G CA 0.972 46.243 45.100 0.285 0.000 0.813 1049 G HN 0.477 nan 8.290 nan 0.000 0.541 1050 C N 0.538 119.990 119.300 0.253 0.000 2.318 1050 C HA -0.203 4.240 4.460 -0.029 0.000 0.272 1050 C C 3.043 178.043 174.990 0.017 0.000 1.156 1050 C CA 1.920 60.978 59.018 0.067 0.000 1.783 1050 C CB -1.153 26.678 27.740 0.151 0.000 2.023 1050 C HN 0.282 nan 8.230 nan 0.000 0.437 1051 V N 0.998 120.970 119.914 0.097 0.000 2.250 1051 V HA -0.334 3.769 4.120 -0.029 0.000 0.253 1051 V C 2.555 178.763 176.094 0.190 0.000 1.065 1051 V CA 2.740 65.114 62.300 0.124 0.000 1.039 1051 V CB -1.168 30.731 31.823 0.126 0.000 0.647 1051 V HN 0.725 nan 8.190 nan 0.000 0.446 1052 E N -0.769 119.562 120.200 0.219 0.000 2.114 1052 E HA -0.287 4.046 4.350 -0.029 0.000 0.199 1052 E C 2.296 179.089 176.600 0.321 0.000 1.008 1052 E CA 1.883 58.491 56.400 0.345 0.000 0.810 1052 E CB -0.086 29.817 29.700 0.338 0.000 0.739 1052 E HN 0.422 nan 8.360 nan 0.000 0.456 1053 M N 0.255 119.920 119.600 0.107 0.000 2.084 1053 M HA -0.155 4.307 4.480 -0.029 0.000 0.259 1053 M C 2.519 178.898 176.300 0.133 0.000 1.072 1053 M CA 1.698 57.006 55.300 0.014 0.000 1.107 1053 M CB -1.506 30.906 32.600 -0.314 0.000 1.299 1053 M HN 0.206 nan 8.290 nan 0.000 0.413 1054 A N -1.321 121.571 122.820 0.120 0.000 2.194 1054 A HA -0.220 4.083 4.320 -0.029 0.000 0.220 1054 A C 1.966 179.746 177.584 0.327 0.000 1.162 1054 A CA 1.494 53.664 52.037 0.222 0.000 0.674 1054 A CB -1.156 17.892 19.000 0.081 0.000 0.789 1054 A HN 0.747 nan 8.150 nan 0.000 0.470 1055 W N 0.435 121.813 121.300 0.129 0.000 2.481 1055 W HA 0.155 4.798 4.660 -0.028 0.000 0.293 1055 W C 1.018 177.592 176.519 0.091 0.000 1.201 1055 W CA 0.613 58.028 57.345 0.117 0.000 1.328 1055 W CB -0.274 29.254 29.460 0.112 0.000 1.112 1055 W HN 0.196 nan 8.180 nan 0.000 0.546 1056 I N 0.982 121.452 120.570 -0.165 0.000 3.128 1056 I HA -0.128 4.025 4.170 -0.029 0.000 0.196 1056 I C 1.956 177.922 176.117 -0.252 0.000 1.391 1056 I CA 0.267 61.299 61.300 -0.448 0.000 0.639 1056 I CB -0.530 37.363 38.000 -0.179 0.000 1.842 1056 I HN -0.006 nan 8.210 nan 0.000 0.971 1057 M N -0.320 119.142 119.600 -0.230 0.000 2.806 1057 M HA -0.323 4.140 4.480 -0.029 0.000 0.148 1057 M C 1.236 177.251 176.300 -0.476 0.000 0.696 1057 M CA 1.507 56.639 55.300 -0.279 0.000 0.564 1057 M CB -1.943 30.572 32.600 -0.143 0.000 2.074 1057 M HN 1.054 nan 8.290 nan 0.000 0.263 1058 G N -1.272 107.300 108.800 -0.380 0.000 2.176 1058 G HA2 -0.288 3.655 3.960 -0.029 0.000 0.253 1058 G HA3 -0.288 3.655 3.960 -0.029 0.000 0.253 1058 G C 0.219 174.985 174.900 -0.222 0.000 0.979 1058 G CA 0.461 45.365 45.100 -0.327 0.000 0.641 1058 G HN 0.403 nan 8.290 nan 0.000 0.530 1059 F N 1.049 120.971 119.950 -0.045 0.000 1.980 1059 F HA 0.217 4.727 4.527 -0.029 0.000 0.298 1059 F C 2.099 177.916 175.800 0.028 0.000 1.255 1059 F CA 1.613 59.611 58.000 -0.004 0.000 1.179 1059 F CB -0.946 38.059 39.000 0.008 0.000 0.957 1059 F HN 0.378 nan 8.300 nan 0.000 0.507 1060 I N -1.100 119.666 120.570 0.327 0.000 2.662 1060 I HA 0.354 4.506 4.170 -0.029 0.000 0.291 1060 I C 0.577 176.861 176.117 0.278 0.000 1.046 1060 I CA -0.030 61.418 61.300 0.248 0.000 1.361 1060 I CB 1.207 39.345 38.000 0.231 0.000 1.429 1060 I HN 0.281 nan 8.210 nan 0.000 0.558 1061 S N 2.551 118.423 115.700 0.285 0.000 2.976 1061 S HA 0.182 4.634 4.470 -0.029 0.000 0.252 1061 S C 0.157 175.000 174.600 0.405 0.000 0.940 1061 S CA -0.094 58.315 58.200 0.349 0.000 1.283 1061 S CB -1.185 62.150 63.200 0.225 0.000 1.194 1061 S HN 1.302 nan 8.310 nan 0.000 0.662 1062 Y N 2.490 122.936 120.300 0.243 0.000 3.267 1062 Y HA -0.348 4.185 4.550 -0.029 0.000 0.387 1062 Y C 0.183 176.280 175.900 0.329 0.000 1.220 1062 Y CA 1.728 59.998 58.100 0.283 0.000 1.292 1062 Y CB -1.344 37.255 38.460 0.232 0.000 1.152 1062 Y HN 0.908 nan 8.280 nan 0.000 0.503 1063 H N 0.879 119.392 119.070 -0.929 0.000 2.944 1063 H HA -0.188 4.351 4.556 -0.029 0.000 0.313 1063 H C 0.739 175.946 175.328 -0.203 0.000 1.293 1063 H CA 0.596 56.188 56.048 -0.760 0.000 1.173 1063 H CB -1.208 28.294 29.762 -0.434 0.000 1.420 1063 H HN 0.773 nan 8.280 nan 0.000 0.432 1064 N N 1.637 120.380 118.700 0.072 0.000 2.617 1064 N HA 0.068 4.791 4.740 -0.029 0.000 0.198 1064 N C 0.743 176.253 175.510 -0.001 0.000 1.317 1064 N CA 1.530 54.620 53.050 0.066 0.000 0.892 1064 N CB -0.005 38.611 38.487 0.215 0.000 1.041 1064 N HN 0.814 nan 8.380 nan 0.000 0.450 1065 G N 0.519 109.293 108.800 -0.044 0.000 2.612 1065 G HA2 -0.224 3.719 3.960 -0.029 0.000 0.686 1065 G HA3 -0.224 3.719 3.960 -0.029 0.000 0.686 1065 G C 0.067 175.058 174.900 0.152 0.000 1.274 1065 G CA -0.329 44.814 45.100 0.072 0.000 0.849 1065 G HN 0.259 nan 8.290 nan 0.000 0.595 1066 N N -0.816 117.919 118.700 0.060 0.000 2.289 1066 N HA -0.042 4.681 4.740 -0.029 0.000 0.184 1066 N C 1.245 176.744 175.510 -0.017 0.000 1.016 1066 N CA 1.807 54.802 53.050 -0.092 0.000 0.872 1066 N CB 0.019 38.444 38.487 -0.104 0.000 0.973 1066 N HN 0.613 nan 8.380 nan 0.000 0.433 1067 L N -1.186 120.082 121.223 0.074 0.000 2.912 1067 L HA 0.080 4.402 4.340 -0.029 0.000 0.233 1067 L C 0.089 176.994 176.870 0.057 0.000 1.105 1067 L CA -0.109 54.802 54.840 0.119 0.000 1.336 1067 L CB 0.002 42.113 42.059 0.086 0.000 1.612 1067 L HN -0.150 nan 8.230 nan 0.000 0.441 1068 K N -0.567 119.847 120.400 0.024 0.000 3.564 1068 K HA -0.211 4.092 4.320 -0.029 0.000 0.278 1068 K C 0.897 177.500 176.600 0.006 0.000 1.048 1068 K CA 1.292 57.584 56.287 0.009 0.000 1.109 1068 K CB -1.552 30.951 32.500 0.005 0.000 1.405 1068 K HN 0.949 nan 8.250 nan 0.000 0.452 1069 G N 1.032 109.841 108.800 0.015 0.000 1.990 1069 G HA2 -0.222 3.721 3.960 -0.029 0.000 0.705 1069 G HA3 -0.222 3.721 3.960 -0.029 0.000 0.705 1069 G C -0.023 174.889 174.900 0.020 0.000 1.350 1069 G CA 0.728 45.839 45.100 0.019 0.000 1.103 1069 G HN 0.498 nan 8.290 nan 0.000 0.530 1070 R N 0.793 121.315 120.500 0.037 0.000 2.474 1070 R HA -0.048 4.275 4.340 -0.029 0.000 0.275 1070 R C -1.027 175.365 176.300 0.153 0.000 0.945 1070 R CA 0.204 56.361 56.100 0.096 0.000 1.115 1070 R CB -0.007 30.378 30.300 0.142 0.000 0.874 1070 R HN 0.241 nan 8.270 nan 0.000 0.421 1071 P HA -0.386 nan 4.420 nan 0.000 0.266 1071 P C 0.045 177.494 177.300 0.248 0.000 0.796 1071 P CA 2.581 65.806 63.100 0.209 0.000 1.064 1071 P CB -0.687 31.149 31.700 0.227 0.000 0.853 1072 Y N -0.567 119.753 120.300 0.034 0.000 2.954 1072 Y HA 0.160 4.693 4.550 -0.029 0.000 0.521 1072 Y C 1.171 177.107 175.900 0.059 0.000 1.395 1072 Y CA 0.080 58.205 58.100 0.041 0.000 2.222 1072 Y CB -1.945 36.537 38.460 0.037 0.000 1.786 1072 Y HN 0.005 nan 8.280 nan 0.000 0.687 1073 T N -0.169 114.187 114.554 -0.330 0.000 2.897 1073 T HA 0.607 4.940 4.350 -0.029 0.000 0.278 1073 T C 0.231 174.513 174.700 -0.696 0.000 0.981 1073 T CA 0.359 62.260 62.100 -0.332 0.000 0.973 1073 T CB 0.773 69.609 68.868 -0.052 0.000 1.092 1073 T HN 1.305 nan 8.240 nan 0.000 0.543 1074 G N 0.099 108.777 108.800 -0.203 0.000 2.295 1074 G HA2 0.252 4.195 3.960 -0.029 0.000 0.195 1074 G HA3 0.252 4.195 3.960 -0.029 0.000 0.195 1074 G C -1.441 173.594 174.900 0.226 0.000 1.269 1074 G CA 0.089 45.132 45.100 -0.096 0.000 1.170 1074 G HN 1.197 nan 8.290 nan 0.000 0.511 1075 W N -2.615 118.647 121.300 -0.063 0.000 3.053 1075 W HA 0.555 5.198 4.660 -0.029 0.000 0.400 1075 W C -0.623 175.954 176.519 0.095 0.000 0.560 1075 W CA 0.651 58.018 57.345 0.037 0.000 1.018 1075 W CB -0.747 28.784 29.460 0.119 0.000 1.325 1075 W HN 2.216 nan 8.180 nan 0.000 0.563 1076 V N -2.473 117.518 119.914 0.129 0.000 3.143 1076 V HA 0.250 4.353 4.120 -0.029 0.000 0.264 1076 V C -1.327 175.053 176.094 0.477 0.000 1.874 1076 V CA -0.637 61.583 62.300 -0.135 0.000 0.968 1076 V CB 1.023 32.781 31.823 -0.108 0.000 1.351 1076 V HN 0.664 nan 8.190 nan 0.000 0.459 1077 D N 2.211 122.793 120.400 0.303 0.000 2.383 1077 D HA 0.392 5.015 4.640 -0.029 0.000 0.245 1077 D C 0.158 176.615 176.300 0.261 0.000 1.263 1077 D CA 0.916 55.141 54.000 0.374 0.000 0.936 1077 D CB 1.009 41.931 40.800 0.203 0.000 1.053 1077 D HN 0.910 nan 8.370 nan 0.000 0.507 1078 S N 3.381 119.257 115.700 0.292 0.000 2.545 1078 S HA 0.210 4.662 4.470 -0.029 0.000 0.275 1078 S C -0.032 174.662 174.600 0.157 0.000 1.299 1078 S CA -0.697 57.609 58.200 0.177 0.000 1.048 1078 S CB 0.745 64.039 63.200 0.155 0.000 0.938 1078 S HN 0.438 nan 8.310 nan 0.000 0.496 1079 K N 3.193 123.656 120.400 0.105 0.000 2.123 1079 K HA 0.482 4.785 4.320 -0.029 0.000 0.248 1079 K C -0.444 176.213 176.600 0.095 0.000 0.969 1079 K CA 0.088 56.441 56.287 0.110 0.000 0.882 1079 K CB 0.707 33.250 32.500 0.072 0.000 1.080 1079 K HN 0.980 nan 8.250 nan 0.000 0.441 1080 T N 0.125 114.759 114.554 0.134 0.000 0.541 1080 T HA -0.207 4.126 4.350 -0.029 0.000 0.774 1080 T C 0.850 175.582 174.700 0.053 0.000 0.992 1080 T CA 0.550 62.715 62.100 0.109 0.000 4.077 1080 T CB -0.797 68.132 68.868 0.102 0.000 2.303 1080 T HN 0.997 nan 8.240 nan 0.000 0.398 1081 K N 1.667 122.082 120.400 0.024 0.000 2.248 1081 K HA -0.343 3.960 4.320 -0.029 0.000 0.216 1081 K C 1.138 177.741 176.600 0.005 0.000 0.902 1081 K CA 2.756 59.042 56.287 -0.001 0.000 0.975 1081 K CB -0.903 31.594 32.500 -0.005 0.000 1.016 1081 K HN 1.123 nan 8.250 nan 0.000 0.508 1082 E N -0.955 119.252 120.200 0.012 0.000 2.951 1082 E HA 0.071 4.404 4.350 -0.029 0.000 0.110 1082 E C -2.393 174.214 176.600 0.012 0.000 0.875 1082 E CA -0.135 56.272 56.400 0.011 0.000 1.559 1082 E CB 0.637 30.335 29.700 -0.003 0.000 0.927 1082 E HN 0.283 nan 8.360 nan 0.000 0.336 1083 P HA -0.023 nan 4.420 nan 0.000 0.200 1083 P C 0.886 178.189 177.300 0.006 0.000 1.048 1083 P CA 0.465 63.571 63.100 0.010 0.000 0.734 1083 P CB 0.106 31.814 31.700 0.013 0.000 0.648 1084 V N 2.366 122.278 119.914 -0.004 0.000 3.394 1084 V HA -0.063 4.040 4.120 -0.029 0.000 0.340 1084 V C 1.556 177.641 176.094 -0.016 0.000 1.174 1084 V CA 0.775 63.061 62.300 -0.022 0.000 1.368 1084 V CB -2.257 29.530 31.823 -0.060 0.000 1.111 1084 V HN 0.210 nan 8.190 nan 0.000 0.420 1085 D N 0.827 121.233 120.400 0.010 0.000 2.200 1085 D HA -0.214 4.409 4.640 -0.029 0.000 0.192 1085 D C 0.649 176.962 176.300 0.020 0.000 1.008 1085 D CA 1.227 55.244 54.000 0.029 0.000 0.872 1085 D CB -0.263 40.559 40.800 0.036 0.000 0.923 1085 D HN 0.480 nan 8.370 nan 0.000 0.447 1086 D N 2.664 123.073 120.400 0.015 0.000 4.884 1086 D HA -0.131 4.492 4.640 -0.029 0.000 0.256 1086 D C 1.155 177.455 176.300 -0.001 0.000 1.544 1086 D CA 0.808 54.819 54.000 0.018 0.000 1.066 1086 D CB -0.037 40.769 40.800 0.010 0.000 1.319 1086 D HN 0.319 nan 8.370 nan 0.000 0.745 1087 K N 0.667 121.074 120.400 0.011 0.000 2.075 1087 K HA -0.329 3.974 4.320 -0.029 0.000 0.144 1087 K C -0.281 176.320 176.600 0.002 0.000 1.038 1087 K CA 1.659 57.948 56.287 0.004 0.000 0.321 1087 K CB -0.690 31.845 32.500 0.058 0.000 0.709 1087 K HN 0.537 nan 8.250 nan 0.000 0.762 1088 D N -0.501 119.896 120.400 -0.005 0.000 3.515 1088 D HA -0.087 4.536 4.640 -0.029 0.000 0.247 1088 D C -0.879 175.508 176.300 0.145 0.000 1.084 1088 D CA 1.017 54.978 54.000 -0.065 0.000 1.030 1088 D CB -0.691 40.025 40.800 -0.140 0.000 0.946 1088 D HN 0.467 nan 8.370 nan 0.000 0.420 1089 V N -0.223 119.896 119.914 0.342 0.000 2.498 1089 V HA 0.274 4.376 4.120 -0.029 0.000 0.279 1089 V C 1.756 177.947 176.094 0.162 0.000 1.048 1089 V CA -0.551 61.848 62.300 0.164 0.000 0.967 1089 V CB 1.792 33.658 31.823 0.072 0.000 0.988 1089 V HN 0.342 nan 8.190 nan 0.000 0.473 1090 K N 3.277 123.734 120.400 0.096 0.000 2.277 1090 K HA -0.265 4.037 4.320 -0.029 0.000 0.206 1090 K C 1.557 178.201 176.600 0.073 0.000 1.044 1090 K CA 1.864 58.202 56.287 0.086 0.000 0.932 1090 K CB -0.720 31.818 32.500 0.063 0.000 0.726 1090 K HN 0.980 nan 8.250 nan 0.000 0.473 1091 A N 2.261 125.102 122.820 0.035 0.000 2.198 1091 A HA -0.219 4.084 4.320 -0.029 0.000 0.747 1091 A C 1.688 179.250 177.584 -0.038 0.000 1.329 1091 A CA 1.392 53.412 52.037 -0.028 0.000 2.245 1091 A CB -0.410 18.524 19.000 -0.110 0.000 1.338 1091 A HN 0.203 nan 8.150 nan 0.000 0.756 1092 K N -1.545 118.768 120.400 -0.144 0.000 2.189 1092 K HA -0.184 4.119 4.320 -0.029 0.000 0.207 1092 K C 0.727 177.325 176.600 -0.005 0.000 1.046 1092 K CA 1.719 57.931 56.287 -0.125 0.000 0.928 1092 K CB -0.706 31.646 32.500 -0.247 0.000 0.720 1092 K HN 0.546 nan 8.250 nan 0.000 0.458 1093 Y N 0.154 120.452 120.300 -0.003 0.000 2.701 1093 Y HA 0.090 4.623 4.550 -0.029 0.000 0.479 1093 Y C 1.981 177.870 175.900 -0.018 0.000 1.395 1093 Y CA 0.302 58.395 58.100 -0.012 0.000 2.112 1093 Y CB -0.797 37.658 38.460 -0.009 0.000 1.802 1093 Y HN 0.319 nan 8.280 nan 0.000 0.674 1094 E N -1.062 119.238 120.200 0.168 0.000 3.182 1094 E HA -0.285 4.048 4.350 -0.029 0.000 0.399 1094 E C -0.002 176.594 176.600 -0.007 0.000 1.476 1094 E CA 2.019 58.454 56.400 0.058 0.000 1.220 1094 E CB -1.889 27.855 29.700 0.074 0.000 1.538 1094 E HN 0.591 nan 8.360 nan 0.000 0.480 1095 T N 0.807 115.363 114.554 0.002 0.000 2.848 1095 T HA 0.252 4.584 4.350 -0.029 0.000 0.340 1095 T C 1.087 175.748 174.700 -0.065 0.000 1.091 1095 T CA 1.772 63.845 62.100 -0.045 0.000 1.123 1095 T CB -0.052 68.822 68.868 0.009 0.000 1.042 1095 T HN 0.726 nan 8.240 nan 0.000 0.544 1096 S N 0.444 116.040 115.700 -0.174 0.000 4.159 1096 S HA -0.240 4.213 4.470 -0.029 0.000 0.548 1096 S C 1.268 175.774 174.600 -0.158 0.000 1.865 1096 S CA 0.782 58.903 58.200 -0.133 0.000 4.250 1096 S CB -1.448 61.770 63.200 0.031 0.000 0.203 1096 S HN 0.820 nan 8.310 nan 0.000 0.454 1097 I N 2.232 122.762 120.570 -0.066 0.000 3.384 1097 I HA -0.081 4.072 4.170 -0.029 0.000 0.310 1097 I C 0.229 176.237 176.117 -0.182 0.000 1.279 1097 I CA 1.157 62.401 61.300 -0.095 0.000 1.283 1097 I CB -0.247 37.680 38.000 -0.123 0.000 1.011 1097 I HN 0.419 nan 8.210 nan 0.000 0.566 1098 L N -1.382 119.671 121.223 -0.283 0.000 4.914 1098 L HA 0.169 4.492 4.340 -0.029 0.000 0.494 1098 L C 0.764 177.334 176.870 -0.500 0.000 0.929 1098 L CA 0.264 54.816 54.840 -0.480 0.000 1.912 1098 L CB -0.790 41.011 42.059 -0.431 0.000 1.710 1098 L HN 0.156 nan 8.230 nan 0.000 0.601 1099 E N 0.056 119.961 120.200 -0.492 0.000 4.569 1099 E HA 0.099 4.432 4.350 -0.029 0.000 0.455 1099 E C 1.289 177.601 176.600 -0.480 0.000 1.200 1099 E CA 0.834 56.978 56.400 -0.426 0.000 2.838 1099 E CB 0.343 29.868 29.700 -0.291 0.000 1.844 1099 E HN 0.401 nan 8.360 nan 0.000 0.714 1100 H N -0.906 118.185 119.070 0.035 0.000 1.452 1100 H HA -0.367 4.172 4.556 -0.029 0.000 0.090 1100 H C 1.596 176.950 175.328 0.042 0.000 1.308 1100 H CA 2.782 58.863 56.048 0.056 0.000 1.901 1100 H CB -2.144 27.643 29.762 0.042 0.000 2.257 1100 H HN 0.369 nan 8.280 nan 0.000 0.961 1101 S N 0.416 116.320 115.700 0.341 0.000 2.440 1101 S HA -0.087 4.366 4.470 -0.029 0.000 0.238 1101 S C 2.387 177.056 174.600 0.116 0.000 1.010 1101 S CA 1.029 59.349 58.200 0.200 0.000 0.972 1101 S CB -1.111 62.221 63.200 0.219 0.000 0.774 1101 S HN 0.930 nan 8.310 nan 0.000 0.501 1102 G N 0.732 109.509 108.800 -0.039 0.000 2.615 1102 G HA2 0.091 4.034 3.960 -0.029 0.000 0.213 1102 G HA3 0.091 4.034 3.960 -0.029 0.000 0.213 1102 G C 0.936 175.847 174.900 0.018 0.000 1.135 1102 G CA 0.951 45.984 45.100 -0.112 0.000 0.772 1102 G HN 0.623 nan 8.290 nan 0.000 0.542 1103 I N -1.827 118.791 120.570 0.082 0.000 4.518 1103 I HA 0.256 4.409 4.170 -0.029 0.000 0.247 1103 I C 0.522 176.645 176.117 0.010 0.000 0.994 1103 I CA -0.912 60.438 61.300 0.083 0.000 2.009 1103 I CB -0.027 38.112 38.000 0.232 0.000 1.547 1103 I HN -0.281 nan 8.210 nan 0.000 0.463 1104 R N 3.623 124.153 120.500 0.050 0.000 3.908 1104 R HA -0.018 4.305 4.340 -0.029 0.000 0.299 1104 R C -0.097 176.189 176.300 -0.024 0.000 0.624 1104 R CA 0.802 56.899 56.100 -0.005 0.000 0.997 1104 R CB -1.106 29.206 30.300 0.022 0.000 0.917 1104 R HN 0.533 nan 8.270 nan 0.000 0.339 1105 L N 1.631 122.802 121.223 -0.087 0.000 1.217 1105 L HA -0.063 4.260 4.340 -0.029 0.000 0.503 1105 L C 0.277 177.132 176.870 -0.025 0.000 0.787 1105 L CA -0.010 54.851 54.840 0.034 0.000 2.047 1105 L CB -0.347 41.942 42.059 0.384 0.000 1.280 1105 L HN 0.327 nan 8.230 nan 0.000 0.437 1106 I N 1.316 121.723 120.570 -0.273 0.000 2.889 1106 I HA 0.246 4.399 4.170 -0.029 0.000 0.315 1106 I C 0.683 176.311 176.117 -0.816 0.000 1.207 1106 I CA 0.587 61.502 61.300 -0.641 0.000 1.202 1106 I CB 0.213 37.772 38.000 -0.735 0.000 1.693 1106 I HN 0.262 nan 8.210 nan 0.000 0.538 1107 E N 1.766 121.622 120.200 -0.573 0.000 0.413 1107 E HA 0.070 4.402 4.350 -0.029 0.000 0.136 1107 E C -2.633 173.801 176.600 -0.277 0.000 2.519 1107 E CA -0.232 55.934 56.400 -0.389 0.000 1.491 1107 E CB -0.613 28.962 29.700 -0.209 0.000 0.458 1107 E HN -0.121 nan 8.360 nan 0.000 0.896 1108 P HA -0.092 nan 4.420 nan 0.000 0.273 1108 P C -0.070 177.124 177.300 -0.177 0.000 1.193 1108 P CA 2.140 65.156 63.100 -0.140 0.000 0.777 1108 P CB 0.190 31.834 31.700 -0.094 0.000 0.803 1109 E N -0.477 119.659 120.200 -0.107 0.000 4.252 1109 E HA -0.198 4.135 4.350 -0.029 0.000 0.373 1109 E C 1.319 177.905 176.600 -0.024 0.000 0.570 1109 E CA 1.102 57.451 56.400 -0.085 0.000 1.570 1109 E CB -1.732 27.844 29.700 -0.207 0.000 1.887 1109 E HN 0.521 nan 8.360 nan 0.000 0.407 1110 L N -2.908 118.299 121.223 -0.027 0.000 3.898 1110 L HA -0.339 3.983 4.340 -0.029 0.000 0.382 1110 L C 1.083 178.011 176.870 0.097 0.000 0.711 1110 L CA 1.303 56.191 54.840 0.080 0.000 2.828 1110 L CB -1.046 41.119 42.059 0.175 0.000 0.852 1110 L HN 0.212 nan 8.230 nan 0.000 0.694 1111 F N -0.869 119.005 119.950 -0.127 0.000 2.183 1111 F HA -0.234 4.276 4.527 -0.029 0.000 0.318 1111 F C 0.701 176.533 175.800 0.054 0.000 0.129 1111 F CA 1.728 59.663 58.000 -0.108 0.000 0.912 1111 F CB -0.570 38.139 39.000 -0.485 0.000 4.135 1111 F HN 0.497 nan 8.300 nan 0.000 0.137 1112 N N -1.151 117.905 118.700 0.595 0.000 4.574 1112 N HA 0.407 5.130 4.740 -0.029 0.000 0.208 1112 N C -0.323 175.382 175.510 0.325 0.000 1.237 1112 N CA 0.806 54.096 53.050 0.400 0.000 0.836 1112 N CB 0.836 39.466 38.487 0.238 0.000 1.504 1112 N HN 1.820 nan 8.380 nan 0.000 0.492 1113 G N 0.166 109.069 108.800 0.172 0.000 2.137 1113 G HA2 -0.295 3.648 3.960 -0.029 0.000 0.237 1113 G HA3 -0.295 3.648 3.960 -0.029 0.000 0.237 1113 G C -0.010 174.863 174.900 -0.045 0.000 1.002 1113 G CA 1.008 46.134 45.100 0.042 0.000 0.702 1113 G HN 0.527 nan 8.290 nan 0.000 0.515 1114 Y N 0.030 120.322 120.300 -0.013 0.000 2.624 1114 Y HA 0.256 4.788 4.550 -0.029 0.000 0.260 1114 Y C 1.843 177.744 175.900 0.002 0.000 1.090 1114 Y CA 1.215 59.302 58.100 -0.021 0.000 1.347 1114 Y CB 0.553 39.033 38.460 0.034 0.000 1.349 1114 Y HN 0.303 nan 8.280 nan 0.000 0.502 1115 N N 1.076 119.923 118.700 0.245 0.000 2.535 1115 N HA 0.197 4.920 4.740 -0.029 0.000 0.294 1115 N C -2.502 173.007 175.510 -0.001 0.000 1.408 1115 N CA -0.646 52.468 53.050 0.107 0.000 0.927 1115 N CB 0.919 39.471 38.487 0.109 0.000 1.276 1115 N HN 0.256 nan 8.380 nan 0.000 0.505 1116 P HA 0.165 nan 4.420 nan 0.000 0.310 1116 P C 0.216 177.518 177.300 0.003 0.000 1.351 1116 P CA 0.404 63.498 63.100 -0.010 0.000 1.116 1116 P CB 0.725 32.396 31.700 -0.048 0.000 1.589 1117 E N -0.741 119.464 120.200 0.007 0.000 2.662 1117 E HA 0.049 4.382 4.350 -0.029 0.000 0.205 1117 E C 0.951 177.563 176.600 0.019 0.000 1.003 1117 E CA -0.071 56.337 56.400 0.012 0.000 1.685 1117 E CB -0.840 28.848 29.700 -0.020 0.000 2.386 1117 E HN -0.291 nan 8.360 nan 0.000 1.092 1118 K N 2.266 122.660 120.400 -0.011 0.000 4.391 1118 K HA -0.249 4.054 4.320 -0.029 0.000 0.257 1118 K C 0.906 177.524 176.600 0.031 0.000 0.667 1118 K CA 0.946 57.221 56.287 -0.021 0.000 0.542 1118 K CB -0.864 31.602 32.500 -0.058 0.000 2.054 1118 K HN 0.213 nan 8.250 nan 0.000 0.397 1119 K N 1.763 122.183 120.400 0.033 0.000 2.163 1119 K HA -0.286 4.017 4.320 -0.029 0.000 0.210 1119 K C 0.682 177.324 176.600 0.069 0.000 1.048 1119 K CA 2.333 58.655 56.287 0.058 0.000 0.928 1119 K CB 0.054 32.586 32.500 0.054 0.000 0.716 1119 K HN 0.616 nan 8.250 nan 0.000 0.459 1120 E N -2.735 117.503 120.200 0.063 0.000 5.006 1120 E HA -0.330 4.003 4.350 -0.029 0.000 0.214 1120 E C 1.378 178.027 176.600 0.082 0.000 0.970 1120 E CA 2.013 58.467 56.400 0.089 0.000 1.705 1120 E CB -1.436 28.334 29.700 0.116 0.000 1.789 1120 E HN 0.371 nan 8.360 nan 0.000 0.384 1121 M N 0.157 119.797 119.600 0.068 0.000 2.123 1121 M HA 0.020 4.482 4.480 -0.029 0.000 0.263 1121 M C 1.706 178.051 176.300 0.076 0.000 1.069 1121 M CA 1.174 56.508 55.300 0.057 0.000 1.133 1121 M CB -0.201 32.426 32.600 0.046 0.000 1.356 1121 M HN 0.218 nan 8.290 nan 0.000 0.415 1122 I N -1.252 119.370 120.570 0.087 0.000 2.448 1122 I HA 0.394 4.546 4.170 -0.029 0.000 0.281 1122 I C -0.512 175.635 176.117 0.050 0.000 1.027 1122 I CA -0.686 60.683 61.300 0.115 0.000 1.111 1122 I CB 1.330 39.454 38.000 0.208 0.000 1.236 1122 I HN 0.052 nan 8.210 nan 0.000 0.452 1123 Q N 5.070 124.884 119.800 0.024 0.000 2.279 1123 Q HA 0.192 4.515 4.340 -0.029 0.000 0.256 1123 Q C -0.317 175.587 176.000 -0.159 0.000 0.937 1123 Q CA -0.304 55.463 55.803 -0.061 0.000 0.933 1123 Q CB 1.283 29.986 28.738 -0.058 0.000 1.189 1123 Q HN 0.732 nan 8.270 nan 0.000 0.417 1124 E N 3.302 123.353 120.200 -0.248 0.000 2.265 1124 E HA 0.202 4.535 4.350 -0.029 0.000 0.272 1124 E C -1.209 175.196 176.600 -0.325 0.000 1.067 1124 E CA -0.233 55.915 56.400 -0.421 0.000 0.900 1124 E CB 0.547 30.013 29.700 -0.391 0.000 1.017 1124 E HN 0.372 nan 8.360 nan 0.000 0.431 1125 V N 4.931 124.647 119.914 -0.331 0.000 3.102 1125 V HA 0.511 4.614 4.120 -0.029 0.000 0.312 1125 V C 0.014 175.994 176.094 -0.190 0.000 1.135 1125 V CA -0.953 61.230 62.300 -0.196 0.000 1.022 1125 V CB 1.961 33.720 31.823 -0.106 0.000 1.056 1125 V HN 0.572 nan 8.190 nan 0.000 0.436 1126 I N 0.906 121.416 120.570 -0.100 0.000 2.750 1126 I HA 0.681 4.834 4.170 -0.029 0.000 0.308 1126 I C -0.963 175.152 176.117 -0.004 0.000 1.016 1126 I CA -1.005 60.259 61.300 -0.061 0.000 1.098 1126 I CB 2.216 40.193 38.000 -0.040 0.000 1.279 1126 I HN 0.257 nan 8.210 nan 0.000 0.454 1127 V N 3.186 123.113 119.914 0.021 0.000 2.789 1127 V HA 0.285 4.388 4.120 -0.029 0.000 0.311 1127 V C -0.572 175.538 176.094 0.026 0.000 1.073 1127 V CA -0.606 61.715 62.300 0.034 0.000 0.921 1127 V CB 2.245 34.100 31.823 0.053 0.000 1.009 1127 V HN 0.859 nan 8.190 nan 0.000 0.426 1128 E N 4.226 124.440 120.200 0.022 0.000 2.214 1128 E HA 0.758 5.091 4.350 -0.029 0.000 0.274 1128 E C -0.691 175.911 176.600 0.004 0.000 0.977 1128 E CA -0.656 55.752 56.400 0.012 0.000 0.827 1128 E CB 2.224 31.935 29.700 0.018 0.000 1.130 1128 E HN 0.816 nan 8.360 nan 0.000 0.394 1129 E N 1.497 121.689 120.200 -0.013 0.000 2.368 1129 E HA 0.334 4.667 4.350 -0.029 0.000 0.257 1129 E C -1.237 175.325 176.600 -0.064 0.000 1.022 1129 E CA -0.813 55.569 56.400 -0.030 0.000 0.886 1129 E CB 1.064 30.750 29.700 -0.025 0.000 1.740 1129 E HN 0.557 nan 8.360 nan 0.000 0.456 1130 D N 0.502 120.838 120.400 -0.105 0.000 4.082 1130 D HA 0.133 4.756 4.640 -0.029 0.000 0.255 1130 D C 0.077 176.215 176.300 -0.270 0.000 1.427 1130 D CA -0.375 53.504 54.000 -0.201 0.000 0.804 1130 D CB -1.177 39.469 40.800 -0.256 0.000 1.364 1130 D HN 0.495 nan 8.370 nan 0.000 0.809 1131 L N -0.312 120.802 121.223 -0.182 0.000 2.456 1131 L HA -0.113 4.210 4.340 -0.029 0.000 0.311 1131 L C 0.751 177.480 176.870 -0.236 0.000 1.359 1131 L CA 0.806 55.548 54.840 -0.163 0.000 0.824 1131 L CB -0.063 41.932 42.059 -0.107 0.000 1.015 1131 L HN -0.000 nan 8.230 nan 0.000 0.633 1132 E N -0.776 119.328 120.200 -0.160 0.000 2.585 1132 E HA 0.225 4.558 4.350 -0.029 0.000 0.206 1132 E C -2.149 174.377 176.600 -0.124 0.000 1.007 1132 E CA -0.768 55.535 56.400 -0.163 0.000 1.028 1132 E CB -0.142 29.519 29.700 -0.065 0.000 1.087 1132 E HN 0.482 nan 8.360 nan 0.000 0.455 1133 P HA 0.539 nan 4.420 nan 0.000 0.330 1133 P C -0.776 176.406 177.300 -0.197 0.000 1.323 1133 P CA -0.495 62.648 63.100 0.072 0.000 0.828 1133 P CB 1.004 32.764 31.700 0.101 0.000 2.009 1134 F N -3.071 116.880 119.950 0.003 0.000 2.877 1134 F HA 0.374 4.901 4.527 0.000 0.000 0.319 1134 F C 0.687 176.491 175.800 0.007 0.000 1.174 1134 F CA -0.438 57.571 58.000 0.015 0.000 0.903 1134 F CB 0.639 39.653 39.000 0.023 0.000 1.357 1134 F HN 0.097 nan 8.300 nan 0.000 0.472 1135 E N 0.398 120.719 120.200 0.202 0.000 3.701 1135 E HA 0.611 4.944 4.350 -0.029 0.000 0.206 1135 E C -0.692 175.955 176.600 0.078 0.000 1.229 1135 E CA 0.674 57.138 56.400 0.108 0.000 1.573 1135 E CB 0.609 30.348 29.700 0.066 0.000 1.449 1135 E HN 0.925 nan 8.360 nan 0.000 0.618 1136 A N 1.011 123.874 122.820 0.072 0.000 3.364 1136 A HA 0.019 4.322 4.320 -0.029 0.000 0.262 1136 A C 0.232 177.830 177.584 0.022 0.000 1.301 1136 A CA 0.338 52.401 52.037 0.042 0.000 0.745 1136 A CB -2.275 16.742 19.000 0.028 0.000 1.039 1136 A HN 0.388 nan 8.150 nan 0.000 0.428 1137 S N 0.219 115.933 115.700 0.023 0.000 2.672 1137 S HA 0.802 5.255 4.470 -0.029 0.000 0.276 1137 S C 0.049 174.645 174.600 -0.007 0.000 1.207 1137 S CA 0.021 58.228 58.200 0.012 0.000 1.002 1137 S CB 1.948 65.161 63.200 0.021 0.000 0.998 1137 S HN 1.006 nan 8.310 nan 0.000 0.542 1138 K N -0.006 120.385 120.400 -0.015 0.000 2.288 1138 K HA 0.576 4.878 4.320 -0.029 0.000 0.234 1138 K C -0.256 176.327 176.600 -0.028 0.000 1.037 1138 K CA -0.471 55.794 56.287 -0.038 0.000 0.914 1138 K CB 0.655 33.131 32.500 -0.041 0.000 1.197 1138 K HN 0.931 nan 8.250 nan 0.000 0.471 1139 E N -1.045 119.126 120.200 -0.048 0.000 0.509 1139 E HA 0.021 4.354 4.350 -0.029 0.000 0.135 1139 E C -1.401 175.171 176.600 -0.047 0.000 2.486 1139 E CA -0.279 56.106 56.400 -0.025 0.000 1.468 1139 E CB -0.473 29.237 29.700 0.016 0.000 0.620 1139 E HN 0.692 nan 8.360 nan 0.000 0.885 1140 T N -1.791 112.751 114.554 -0.020 0.000 2.821 1140 T HA 0.842 5.175 4.350 -0.029 0.000 0.306 1140 T C 0.164 174.903 174.700 0.065 0.000 1.313 1140 T CA -0.408 61.676 62.100 -0.026 0.000 1.012 1140 T CB 1.556 70.428 68.868 0.006 0.000 1.298 1140 T HN 1.085 nan 8.240 nan 0.000 0.502 1141 A N 0.825 123.666 122.820 0.035 0.000 2.504 1141 A HA 0.438 4.741 4.320 -0.029 0.000 0.242 1141 A C 1.227 179.058 177.584 0.412 0.000 1.100 1141 A CA 1.113 53.339 52.037 0.315 0.000 0.786 1141 A CB -1.180 17.922 19.000 0.169 0.000 1.050 1141 A HN 1.301 nan 8.150 nan 0.000 0.512 1142 E N -1.569 118.816 120.200 0.309 0.000 3.989 1142 E HA -0.413 3.920 4.350 -0.029 0.000 0.213 1142 E C 1.653 177.880 176.600 -0.622 0.000 1.243 1142 E CA 1.989 58.188 56.400 -0.336 0.000 2.156 1142 E CB -1.335 28.250 29.700 -0.191 0.000 1.852 1142 E HN 0.814 nan 8.360 nan 0.000 0.298 1143 Q N -0.679 118.958 119.800 -0.272 0.000 2.293 1143 Q HA -0.282 4.041 4.340 -0.029 0.000 0.218 1143 Q C 2.180 178.144 176.000 -0.060 0.000 1.015 1143 Q CA 2.905 58.636 55.803 -0.121 0.000 0.941 1143 Q CB -0.378 28.394 28.738 0.056 0.000 0.979 1143 Q HN 0.581 nan 8.270 nan 0.000 0.416 1144 F N -1.294 118.562 119.950 -0.156 0.000 2.383 1144 F HA 0.237 4.747 4.527 -0.028 0.000 0.287 1144 F C 1.921 177.712 175.800 -0.015 0.000 1.069 1144 F CA 0.254 58.221 58.000 -0.056 0.000 1.402 1144 F CB -0.659 38.311 39.000 -0.051 0.000 1.116 1144 F HN -0.274 nan 8.300 nan 0.000 0.549 1145 K N 0.326 119.348 120.400 -2.298 0.000 2.097 1145 K HA -0.288 4.014 4.320 -0.029 0.000 0.214 1145 K C 1.951 178.268 176.600 -0.471 0.000 1.052 1145 K CA 2.571 57.984 56.287 -1.456 0.000 0.932 1145 K CB -0.567 31.353 32.500 -0.967 0.000 0.716 1145 K HN 0.592 nan 8.250 nan 0.000 0.455 1146 H N -1.024 117.854 119.070 -0.320 0.000 2.253 1146 H HA -0.171 4.368 4.556 -0.028 0.000 0.296 1146 H C 2.323 177.604 175.328 -0.079 0.000 1.067 1146 H CA 1.192 57.154 56.048 -0.143 0.000 1.245 1146 H CB -0.169 29.541 29.762 -0.086 0.000 1.364 1146 H HN 0.153 nan 8.280 nan 0.000 0.494 1147 Q N -0.104 119.753 119.800 0.095 0.000 2.250 1147 Q HA -0.286 4.037 4.340 -0.029 0.000 0.215 1147 Q C 2.064 178.147 176.000 0.139 0.000 1.002 1147 Q CA 2.186 58.051 55.803 0.103 0.000 0.910 1147 Q CB -0.281 28.530 28.738 0.122 0.000 0.939 1147 Q HN 0.613 nan 8.270 nan 0.000 0.416 1148 H N -2.384 116.658 119.070 -0.047 0.000 2.266 1148 H HA 0.013 4.553 4.556 -0.027 0.000 0.308 1148 H C 1.615 176.937 175.328 -0.009 0.000 1.057 1148 H CA 0.626 56.661 56.048 -0.021 0.000 1.330 1148 H CB -0.253 29.454 29.762 -0.092 0.000 1.400 1148 H HN 0.424 nan 8.280 nan 0.000 0.503 1149 G N 0.331 109.043 108.800 -0.146 0.000 2.689 1149 G HA2 -0.255 3.688 3.960 -0.029 0.000 0.216 1149 G HA3 -0.255 3.688 3.960 -0.029 0.000 0.216 1149 G C 0.880 175.725 174.900 -0.092 0.000 1.119 1149 G CA 1.089 46.075 45.100 -0.190 0.000 0.732 1149 G HN 0.493 nan 8.290 nan 0.000 0.576 1150 D N 0.249 120.635 120.400 -0.023 0.000 2.733 1150 D HA 0.068 4.691 4.640 -0.029 0.000 0.262 1150 D C 0.435 176.764 176.300 0.049 0.000 1.497 1150 D CA 0.232 54.242 54.000 0.016 0.000 1.101 1150 D CB 0.213 41.039 40.800 0.043 0.000 1.014 1150 D HN -0.005 nan 8.370 nan 0.000 0.319 1151 K N 2.031 122.494 120.400 0.105 0.000 2.237 1151 K HA 0.196 4.499 4.320 -0.029 0.000 0.283 1151 K C -0.271 176.470 176.600 0.235 0.000 1.080 1151 K CA -0.111 56.282 56.287 0.176 0.000 0.965 1151 K CB 0.297 32.922 32.500 0.209 0.000 1.098 1151 K HN -0.016 nan 8.250 nan 0.000 0.434 1152 V N 1.151 121.188 119.914 0.204 0.000 2.960 1152 V HA -0.232 3.871 4.120 -0.029 0.000 0.282 1152 V C 1.700 177.904 176.094 0.182 0.000 1.420 1152 V CA 0.475 62.851 62.300 0.127 0.000 1.448 1152 V CB 0.293 32.189 31.823 0.123 0.000 0.886 1152 V HN 0.830 nan 8.190 nan 0.000 0.522 1153 D N 2.546 123.069 120.400 0.205 0.000 2.239 1153 D HA -0.198 4.425 4.640 -0.029 0.000 0.202 1153 D C 1.632 177.985 176.300 0.089 0.000 0.993 1153 D CA 1.928 56.137 54.000 0.349 0.000 0.874 1153 D CB 0.147 41.201 40.800 0.423 0.000 0.922 1153 D HN 0.894 nan 8.370 nan 0.000 0.464 1154 I N -3.102 117.430 120.570 -0.063 0.000 3.555 1154 I HA 0.046 4.198 4.170 -0.029 0.000 0.304 1154 I C -0.752 174.898 176.117 -0.779 0.000 1.246 1154 I CA 0.312 61.392 61.300 -0.368 0.000 1.220 1154 I CB -0.466 37.262 38.000 -0.453 0.000 1.001 1154 I HN -0.249 nan 8.210 nan 0.000 0.513 1155 F N 1.949 121.948 119.950 0.081 0.000 3.508 1155 F HA 0.396 4.906 4.527 -0.030 0.000 0.414 1155 F C -0.528 175.351 175.800 0.132 0.000 1.119 1155 F CA -0.755 57.302 58.000 0.095 0.000 1.383 1155 F CB 0.150 39.177 39.000 0.046 0.000 2.460 1155 F HN 0.232 nan 8.300 nan 0.000 0.737 1156 E N 2.454 122.811 120.200 0.262 0.000 7.592 1156 E HA -0.096 4.237 4.350 -0.029 0.000 0.435 1156 E C -1.900 174.792 176.600 0.154 0.000 0.467 1156 E CA 0.259 56.783 56.400 0.207 0.000 0.881 1156 E CB -0.441 29.382 29.700 0.205 0.000 0.959 1156 E HN 0.557 nan 8.360 nan 0.000 0.262 1157 I N 3.793 124.417 120.570 0.089 0.000 2.740 1157 I HA 0.517 4.670 4.170 -0.029 0.000 0.303 1157 I C -1.553 174.538 176.117 -0.043 0.000 1.044 1157 I CA -2.197 59.088 61.300 -0.025 0.000 1.064 1157 I CB 1.856 39.853 38.000 -0.005 0.000 1.249 1157 I HN 0.333 nan 8.210 nan 0.000 0.433 1158 P HA 0.120 nan 4.420 nan 0.000 0.204 1158 P C -0.403 176.827 177.300 -0.118 0.000 1.214 1158 P CA 0.831 63.922 63.100 -0.015 0.000 0.902 1158 P CB 0.479 32.290 31.700 0.186 0.000 0.733 1159 E N -2.874 117.240 120.200 -0.142 0.000 8.839 1159 E HA -0.087 4.246 4.350 -0.029 0.000 0.490 1159 E C -0.613 175.834 176.600 -0.255 0.000 1.298 1159 E CA 0.642 56.949 56.400 -0.156 0.000 2.312 1159 E CB -1.932 27.700 29.700 -0.113 0.000 1.006 1159 E HN 0.257 nan 8.360 nan 0.000 0.262 1160 T N 0.670 115.107 114.554 -0.195 0.000 2.788 1160 T HA 0.609 4.942 4.350 -0.029 0.000 0.296 1160 T C 0.209 174.782 174.700 -0.211 0.000 1.009 1160 T CA 0.143 62.108 62.100 -0.226 0.000 0.949 1160 T CB 0.348 69.120 68.868 -0.160 0.000 0.946 1160 T HN 0.688 nan 8.240 nan 0.000 0.453 1161 G N 4.789 113.430 108.800 -0.264 0.000 2.985 1161 G HA2 0.369 4.312 3.960 -0.029 0.000 0.282 1161 G HA3 0.369 4.312 3.960 -0.029 0.000 0.282 1161 G C 0.307 174.929 174.900 -0.463 0.000 0.791 1161 G CA -0.734 44.183 45.100 -0.305 0.000 1.934 1161 G HN 0.829 nan 8.290 nan 0.000 0.563 1162 E N 1.078 121.059 120.200 -0.366 0.000 2.566 1162 E HA -0.172 4.161 4.350 -0.029 0.000 0.272 1162 E C 0.790 176.965 176.600 -0.710 0.000 1.229 1162 E CA 0.364 56.575 56.400 -0.316 0.000 1.103 1162 E CB -0.377 29.312 29.700 -0.019 0.000 1.040 1162 E HN 1.129 nan 8.360 nan 0.000 0.479 1163 Y N -2.501 117.778 120.300 -0.035 0.000 3.617 1163 Y HA -0.318 4.213 4.550 -0.032 0.000 0.215 1163 Y C 0.147 176.028 175.900 -0.032 0.000 1.178 1163 Y CA 0.801 58.884 58.100 -0.028 0.000 1.517 1163 Y CB -1.972 36.473 38.460 -0.024 0.000 1.457 1163 Y HN 0.611 nan 8.280 nan 0.000 0.615 1164 S N -1.727 113.813 115.700 -0.266 0.000 4.107 1164 S HA 0.641 5.094 4.470 -0.029 0.000 0.275 1164 S C 0.571 175.056 174.600 -0.192 0.000 1.010 1164 S CA 0.248 58.311 58.200 -0.229 0.000 1.267 1164 S CB 0.020 63.002 63.200 -0.363 0.000 1.820 1164 S HN 0.987 nan 8.310 nan 0.000 0.449 1165 V N -0.062 119.724 119.914 -0.213 0.000 5.271 1165 V HA 0.737 4.840 4.120 -0.029 0.000 0.171 1165 V C -0.207 175.714 176.094 -0.289 0.000 1.167 1165 V CA -0.084 62.094 62.300 -0.203 0.000 1.392 1165 V CB -0.524 31.202 31.823 -0.161 0.000 2.159 1165 V HN 0.679 nan 8.190 nan 0.000 0.354 1166 K N -1.102 119.094 120.400 -0.341 0.000 2.469 1166 K HA 0.574 4.877 4.320 -0.029 0.000 0.268 1166 K C -0.806 175.596 176.600 -0.329 0.000 1.027 1166 K CA -0.683 55.334 56.287 -0.449 0.000 0.893 1166 K CB 2.548 34.500 32.500 -0.913 0.000 1.460 1166 K HN 0.340 nan 8.250 nan 0.000 0.449 1167 L N 0.477 121.527 121.223 -0.289 0.000 2.826 1167 L HA 0.522 4.844 4.340 -0.029 0.000 0.160 1167 L C -0.234 176.563 176.870 -0.122 0.000 1.810 1167 L CA -0.187 54.554 54.840 -0.166 0.000 2.452 1167 L CB 0.404 42.390 42.059 -0.121 0.000 2.919 1167 L HN 0.513 nan 8.230 nan 0.000 0.622 1168 L N -0.985 120.208 121.223 -0.049 0.000 3.153 1168 L HA 0.156 4.479 4.340 -0.029 0.000 0.265 1168 L C -1.177 175.723 176.870 0.050 0.000 0.964 1168 L CA -0.559 54.291 54.840 0.015 0.000 1.048 1168 L CB 1.053 43.131 42.059 0.031 0.000 1.543 1168 L HN 0.549 nan 8.230 nan 0.000 0.395 1169 K N 0.283 120.732 120.400 0.081 0.000 1.540 1169 K HA 0.061 4.364 4.320 -0.029 0.000 0.692 1169 K C -0.069 176.610 176.600 0.133 0.000 1.812 1169 K CA 2.127 58.474 56.287 0.099 0.000 1.347 1169 K CB -0.820 31.729 32.500 0.082 0.000 2.262 1169 K HN 1.569 nan 8.250 nan 0.000 0.565 1170 G N -0.550 108.341 108.800 0.152 0.000 2.579 1170 G HA2 0.573 4.515 3.960 -0.029 0.000 0.080 1170 G HA3 0.573 4.515 3.960 -0.029 0.000 0.080 1170 G C -0.035 174.900 174.900 0.058 0.000 1.040 1170 G CA 0.613 45.862 45.100 0.247 0.000 1.118 1170 G HN 1.979 nan 8.290 nan 0.000 0.485 1171 A N -2.106 120.769 122.820 0.091 0.000 6.880 1171 A HA 0.147 4.450 4.320 -0.029 0.000 0.254 1171 A C 0.790 178.159 177.584 -0.359 0.000 2.140 1171 A CA 1.590 53.670 52.037 0.071 0.000 0.766 1171 A CB -1.514 17.663 19.000 0.297 0.000 0.986 1171 A HN 1.981 nan 8.150 nan 0.000 0.395 1172 T N 1.314 115.828 114.554 -0.067 0.000 3.240 1172 T HA 0.468 4.801 4.350 -0.029 0.000 0.248 1172 T C 0.866 175.093 174.700 -0.790 0.000 0.929 1172 T CA 0.717 62.581 62.100 -0.394 0.000 0.939 1172 T CB -1.076 67.764 68.868 -0.047 0.000 1.114 1172 T HN 1.473 nan 8.240 nan 0.000 0.558 1173 L N -0.655 120.248 121.223 -0.534 0.000 6.030 1173 L HA -0.246 4.076 4.340 -0.029 0.000 0.053 1173 L C -0.889 175.703 176.870 -0.464 0.000 2.908 1173 L CA 1.005 55.543 54.840 -0.503 0.000 1.356 1173 L CB -1.213 40.545 42.059 -0.501 0.000 3.049 1173 L HN 0.478 nan 8.230 nan 0.000 1.083 1174 Y N -0.470 119.744 120.300 -0.142 0.000 2.656 1174 Y HA 0.116 4.648 4.550 -0.030 0.000 0.032 1174 Y C 0.464 176.299 175.900 -0.107 0.000 1.862 1174 Y CA 0.289 58.289 58.100 -0.168 0.000 1.309 1174 Y CB -1.533 36.743 38.460 -0.305 0.000 1.965 1174 Y HN 0.676 nan 8.280 nan 0.000 0.275 1175 I N -0.734 119.828 120.570 -0.013 0.000 1.560 1175 I HA -0.193 3.960 4.170 -0.029 0.000 0.310 1175 I C -2.153 173.934 176.117 -0.050 0.000 3.209 1175 I CA -0.151 61.141 61.300 -0.013 0.000 1.061 1175 I CB -0.717 37.286 38.000 0.006 0.000 2.593 1175 I HN 0.407 nan 8.210 nan 0.000 0.697 1176 P HA 0.137 nan 4.420 nan 0.000 0.282 1176 P C -1.106 176.179 177.300 -0.025 0.000 1.327 1176 P CA 0.443 63.527 63.100 -0.027 0.000 0.949 1176 P CB 0.524 32.209 31.700 -0.026 0.000 1.445 1177 K N -0.365 120.025 120.400 -0.017 0.000 6.451 1177 K HA -0.084 4.219 4.320 -0.029 0.000 0.695 1177 K C 0.738 177.341 176.600 0.005 0.000 1.739 1177 K CA 0.114 56.398 56.287 -0.005 0.000 1.661 1177 K CB -1.763 30.731 32.500 -0.011 0.000 1.886 1177 K HN 0.136 nan 8.250 nan 0.000 0.334 1178 A N 3.891 126.728 122.820 0.028 0.000 1.889 1178 A HA 0.412 4.715 4.320 -0.029 0.000 0.209 1178 A C 0.824 178.464 177.584 0.094 0.000 1.315 1178 A CA 1.585 53.661 52.037 0.065 0.000 0.611 1178 A CB -0.224 18.823 19.000 0.078 0.000 0.950 1178 A HN 1.270 nan 8.150 nan 0.000 0.477 1179 L N -4.505 116.806 121.223 0.146 0.000 5.457 1179 L HA 0.234 4.557 4.340 -0.029 0.000 0.237 1179 L C -0.791 176.271 176.870 0.320 0.000 1.130 1179 L CA -0.917 54.005 54.840 0.137 0.000 0.814 1179 L CB -0.237 41.817 42.059 -0.009 0.000 1.513 1179 L HN 0.444 nan 8.230 nan 0.000 0.282 1180 R N 1.745 122.364 120.500 0.199 0.000 2.801 1180 R HA 0.693 5.016 4.340 -0.029 0.000 0.273 1180 R C -1.333 175.200 176.300 0.388 0.000 1.080 1180 R CA 0.101 56.386 56.100 0.308 0.000 1.197 1180 R CB 0.520 30.902 30.300 0.137 0.000 1.109 1180 R HN 0.526 nan 8.270 nan 0.000 0.535 1181 F N 0.339 120.291 119.950 0.003 0.000 2.671 1181 F HA 0.220 4.729 4.527 -0.030 0.000 0.332 1181 F C -0.269 175.538 175.800 0.012 0.000 1.189 1181 F CA -0.854 57.148 58.000 0.003 0.000 0.988 1181 F CB 1.559 40.558 39.000 -0.002 0.000 1.258 1181 F HN 0.263 nan 8.300 nan 0.000 0.471 1182 D N 2.249 122.758 120.400 0.181 0.000 2.163 1182 D HA 0.388 5.010 4.640 -0.029 0.000 0.248 1182 D C -0.384 175.994 176.300 0.130 0.000 1.035 1182 D CA -0.555 53.531 54.000 0.142 0.000 0.872 1182 D CB 1.601 42.473 40.800 0.120 0.000 1.183 1182 D HN 0.434 nan 8.370 nan 0.000 0.445 1183 R N 2.031 122.599 120.500 0.113 0.000 2.247 1183 R HA 0.286 4.609 4.340 -0.029 0.000 0.329 1183 R C -0.496 175.859 176.300 0.091 0.000 1.014 1183 R CA -0.738 55.414 56.100 0.088 0.000 0.907 1183 R CB 0.742 31.076 30.300 0.057 0.000 1.146 1183 R HN 0.204 nan 8.270 nan 0.000 0.499 1184 L N 4.828 126.121 121.223 0.116 0.000 2.326 1184 L HA 0.178 4.501 4.340 -0.029 0.000 0.278 1184 L C 1.067 177.977 176.870 0.067 0.000 1.092 1184 L CA 0.148 55.067 54.840 0.132 0.000 0.810 1184 L CB 1.293 43.501 42.059 0.248 0.000 1.153 1184 L HN 0.520 nan 8.230 nan 0.000 0.439 1185 V N 2.764 122.692 119.914 0.024 0.000 2.232 1185 V HA -0.047 4.056 4.120 -0.029 0.000 0.237 1185 V C 1.275 177.380 176.094 0.018 0.000 1.035 1185 V CA 0.863 63.163 62.300 -0.000 0.000 0.988 1185 V CB -1.793 30.012 31.823 -0.031 0.000 0.636 1185 V HN 0.969 nan 8.190 nan 0.000 0.456 1186 A N 1.373 124.198 122.820 0.008 0.000 2.535 1186 A HA 0.547 4.850 4.320 -0.029 0.000 0.290 1186 A C 0.508 178.137 177.584 0.076 0.000 1.270 1186 A CA 0.775 52.827 52.037 0.025 0.000 0.937 1186 A CB -1.407 17.589 19.000 -0.006 0.000 1.096 1186 A HN 1.068 nan 8.150 nan 0.000 0.534 1187 G N 1.137 109.985 108.800 0.080 0.000 2.947 1187 G HA2 0.536 4.479 3.960 -0.029 0.000 0.293 1187 G HA3 0.536 4.479 3.960 -0.029 0.000 0.293 1187 G C -0.330 174.624 174.900 0.089 0.000 1.243 1187 G CA 0.084 45.253 45.100 0.114 0.000 0.802 1187 G HN 1.341 nan 8.290 nan 0.000 0.560 1188 Q N -0.334 119.521 119.800 0.092 0.000 2.426 1188 Q HA -0.202 4.121 4.340 -0.029 0.000 0.359 1188 Q C -0.391 175.624 176.000 0.025 0.000 1.381 1188 Q CA 0.864 56.707 55.803 0.067 0.000 1.060 1188 Q CB -1.981 26.817 28.738 0.100 0.000 1.253 1188 Q HN 0.436 nan 8.270 nan 0.000 0.363 1189 I N 0.129 120.678 120.570 -0.035 0.000 5.171 1189 I HA 0.388 4.541 4.170 -0.029 0.000 0.240 1189 I C -1.430 174.599 176.117 -0.146 0.000 0.879 1189 I CA -0.393 60.847 61.300 -0.099 0.000 2.192 1189 I CB -1.156 36.752 38.000 -0.153 0.000 1.482 1189 I HN 0.311 nan 8.210 nan 0.000 0.484 1190 P HA 0.298 nan 4.420 nan 0.000 0.318 1190 P C -0.305 176.817 177.300 -0.296 0.000 1.315 1190 P CA 1.478 64.450 63.100 -0.212 0.000 0.821 1190 P CB 2.374 33.995 31.700 -0.132 0.000 2.031 1191 T N -5.232 109.116 114.554 -0.343 0.000 5.615 1191 T HA 0.223 4.556 4.350 -0.029 0.000 0.178 1191 T C 0.549 174.264 174.700 -1.641 0.000 1.695 1191 T CA 0.724 62.367 62.100 -0.761 0.000 1.283 1191 T CB -2.516 65.964 68.868 -0.647 0.000 2.617 1191 T HN 1.173 nan 8.240 nan 0.000 0.220 1192 G N -0.280 107.310 108.800 -2.016 0.000 2.255 1192 G HA2 0.383 4.326 3.960 -0.029 0.000 0.216 1192 G HA3 0.383 4.326 3.960 -0.029 0.000 0.216 1192 G C 0.202 174.210 174.900 -1.487 0.000 1.307 1192 G CA 0.702 44.809 45.100 -1.655 0.000 1.162 1192 G HN 2.084 nan 8.290 nan 0.000 0.494 1193 W N -0.706 120.513 121.300 -0.136 0.000 2.450 1193 W HA -0.288 4.355 4.660 -0.029 0.000 0.300 1193 W C 1.062 177.556 176.519 -0.041 0.000 1.567 1193 W CA 2.042 59.344 57.345 -0.070 0.000 1.558 1193 W CB -1.810 27.636 29.460 -0.023 0.000 0.906 1193 W HN 1.825 nan 8.180 nan 0.000 0.490 1194 N N 0.853 119.743 118.700 0.317 0.000 4.018 1194 N HA 0.404 5.127 4.740 -0.029 0.000 0.254 1194 N C -0.688 174.752 175.510 -0.117 0.000 1.122 1194 N CA 1.371 54.466 53.050 0.075 0.000 0.830 1194 N CB -1.366 37.097 38.487 -0.040 0.000 1.319 1194 N HN 1.286 nan 8.380 nan 0.000 0.590 1195 A N -0.121 122.645 122.820 -0.091 0.000 2.613 1195 A HA 0.663 4.966 4.320 -0.029 0.000 0.303 1195 A C -1.613 175.802 177.584 -0.282 0.000 0.915 1195 A CA -0.605 51.289 52.037 -0.239 0.000 0.654 1195 A CB 0.869 19.680 19.000 -0.315 0.000 1.280 1195 A HN 0.203 nan 8.150 nan 0.000 0.407 1196 K N 0.001 120.194 120.400 -0.346 0.000 2.584 1196 K HA 0.630 4.933 4.320 -0.029 0.000 0.260 1196 K C -1.130 175.235 176.600 -0.391 0.000 0.949 1196 K CA 0.680 56.714 56.287 -0.421 0.000 0.888 1196 K CB 1.802 34.114 32.500 -0.315 0.000 1.330 1196 K HN 2.080 nan 8.250 nan 0.000 0.432 1197 T N 3.159 117.432 114.554 -0.469 0.000 3.807 1197 T HA 0.066 4.399 4.350 -0.029 0.000 0.177 1197 T C -0.583 173.946 174.700 -0.284 0.000 0.519 1197 T CA -0.368 61.551 62.100 -0.302 0.000 0.886 1197 T CB -0.832 67.906 68.868 -0.216 0.000 1.382 1197 T HN 0.481 nan 8.240 nan 0.000 0.511 1198 Y N 2.416 122.651 120.300 -0.109 0.000 2.232 1198 Y HA 0.350 4.883 4.550 -0.029 0.000 0.256 1198 Y C 2.375 178.335 175.900 0.100 0.000 1.061 1198 Y CA 2.116 60.227 58.100 0.019 0.000 1.059 1198 Y CB -0.072 38.453 38.460 0.109 0.000 1.011 1198 Y HN 0.671 nan 8.280 nan 0.000 0.472 1199 G N -0.934 108.078 108.800 0.353 0.000 4.331 1199 G HA2 0.327 4.270 3.960 -0.029 0.000 0.299 1199 G HA3 0.327 4.270 3.960 -0.029 0.000 0.299 1199 G C -0.595 174.543 174.900 0.397 0.000 1.158 1199 G CA -0.122 45.167 45.100 0.315 0.000 0.916 1199 G HN 0.122 nan 8.290 nan 0.000 0.553 1200 I N 0.696 121.372 120.570 0.177 0.000 2.779 1200 I HA 0.389 4.541 4.170 -0.029 0.000 0.285 1200 I C 0.690 176.887 176.117 0.133 0.000 1.134 1200 I CA -0.270 61.065 61.300 0.057 0.000 1.398 1200 I CB 1.693 39.557 38.000 -0.227 0.000 1.404 1200 I HN 0.001 nan 8.210 nan 0.000 0.587 1201 S N 5.444 121.257 115.700 0.189 0.000 2.414 1201 S HA 0.043 4.496 4.470 -0.029 0.000 0.290 1201 S C -0.171 174.427 174.600 -0.004 0.000 1.160 1201 S CA -0.578 57.690 58.200 0.112 0.000 1.069 1201 S CB -0.586 62.705 63.200 0.152 0.000 1.012 1201 S HN 0.654 nan 8.310 nan 0.000 0.510 1202 D N 4.613 125.005 120.400 -0.014 0.000 2.426 1202 D HA 0.005 4.628 4.640 -0.029 0.000 0.261 1202 D C 0.917 177.183 176.300 -0.056 0.000 1.245 1202 D CA 1.464 55.434 54.000 -0.049 0.000 0.917 1202 D CB 0.310 41.088 40.800 -0.037 0.000 1.123 1202 D HN 0.900 nan 8.370 nan 0.000 0.508 1203 D N 2.838 123.185 120.400 -0.089 0.000 1.693 1203 D HA -0.224 4.399 4.640 -0.029 0.000 0.249 1203 D C 1.164 177.383 176.300 -0.136 0.000 0.851 1203 D CA -0.225 53.719 54.000 -0.093 0.000 1.265 1203 D CB -1.362 39.403 40.800 -0.058 0.000 1.446 1203 D HN 0.400 nan 8.370 nan 0.000 0.757 1204 I N 2.813 123.296 120.570 -0.145 0.000 2.530 1204 I HA -0.060 4.093 4.170 -0.029 0.000 0.257 1204 I C 1.835 177.774 176.117 -0.296 0.000 1.179 1204 I CA 1.111 62.266 61.300 -0.242 0.000 1.440 1204 I CB -1.059 36.817 38.000 -0.207 0.000 1.087 1204 I HN 0.463 nan 8.210 nan 0.000 0.440 1205 I N -1.766 118.667 120.570 -0.228 0.000 2.320 1205 I HA 0.309 4.461 4.170 -0.029 0.000 0.283 1205 I C 0.900 176.900 176.117 -0.195 0.000 1.086 1205 I CA 0.106 61.263 61.300 -0.238 0.000 1.539 1205 I CB 0.230 38.103 38.000 -0.211 0.000 1.504 1205 I HN 0.021 nan 8.210 nan 0.000 0.661 1206 S N 1.236 116.815 115.700 -0.201 0.000 1.687 1206 S HA -0.026 4.427 4.470 -0.029 0.000 0.152 1206 S C 0.394 174.902 174.600 -0.153 0.000 0.619 1206 S CA -0.151 57.958 58.200 -0.152 0.000 1.520 1206 S CB -0.055 63.076 63.200 -0.115 0.000 0.855 1206 S HN 0.546 nan 8.310 nan 0.000 0.296 1207 Q N 1.518 121.200 119.800 -0.198 0.000 2.169 1207 Q HA 0.514 4.837 4.340 -0.029 0.000 0.234 1207 Q C 1.675 177.460 176.000 -0.359 0.000 0.980 1207 Q CA 0.819 56.496 55.803 -0.210 0.000 0.941 1207 Q CB 1.588 30.205 28.738 -0.203 0.000 1.199 1207 Q HN 1.164 nan 8.270 nan 0.000 0.496 1208 V N -1.623 118.044 119.914 -0.412 0.000 0.484 1208 V HA -0.507 3.596 4.120 -0.029 0.000 0.092 1208 V C 0.908 176.828 176.094 -0.290 0.000 2.409 1208 V CA 3.053 65.062 62.300 -0.485 0.000 3.648 1208 V CB -1.394 29.840 31.823 -0.983 0.000 0.935 1208 V HN 0.942 nan 8.190 nan 0.000 0.977 1209 D N 0.445 120.657 120.400 -0.313 0.000 4.583 1209 D HA -0.260 4.363 4.640 -0.029 0.000 0.265 1209 D C -0.139 175.984 176.300 -0.295 0.000 0.609 1209 D CA 3.551 57.389 54.000 -0.270 0.000 1.649 1209 D CB -2.798 37.889 40.800 -0.188 0.000 0.984 1209 D HN 0.727 nan 8.370 nan 0.000 0.385 1210 P HA -0.151 nan 4.420 nan 0.000 0.219 1210 P C 1.930 179.004 177.300 -0.377 0.000 1.019 1210 P CA 2.388 65.371 63.100 -0.195 0.000 0.984 1210 P CB -0.449 31.200 31.700 -0.085 0.000 0.590 1211 I N -3.164 117.279 120.570 -0.212 0.000 2.406 1211 I HA -0.101 4.052 4.170 -0.029 0.000 0.249 1211 I C 1.948 177.795 176.117 -0.449 0.000 1.122 1211 I CA 1.945 63.115 61.300 -0.216 0.000 1.431 1211 I CB -2.202 35.928 38.000 0.216 0.000 1.087 1211 I HN 0.046 nan 8.210 nan 0.000 0.424 1212 T N 1.297 115.660 114.554 -0.319 0.000 2.950 1212 T HA -0.188 4.145 4.350 -0.029 0.000 0.264 1212 T C 1.740 176.188 174.700 -0.420 0.000 1.133 1212 T CA 1.273 63.192 62.100 -0.301 0.000 1.127 1212 T CB -0.550 68.153 68.868 -0.275 0.000 0.792 1212 T HN 0.317 nan 8.240 nan 0.000 0.570 1213 L N -0.468 120.381 121.223 -0.623 0.000 2.051 1213 L HA 0.153 4.475 4.340 -0.029 0.000 0.202 1213 L C 2.371 178.930 176.870 -0.517 0.000 1.097 1213 L CA 1.426 55.871 54.840 -0.659 0.000 0.762 1213 L CB -1.042 40.510 42.059 -0.844 0.000 0.913 1213 L HN 0.211 nan 8.230 nan 0.000 0.447 1214 F N 0.991 120.817 119.950 -0.206 0.000 2.037 1214 F HA -0.298 4.211 4.527 -0.029 0.000 0.296 1214 F C 2.649 178.362 175.800 -0.145 0.000 1.132 1214 F CA 1.820 59.730 58.000 -0.149 0.000 1.211 1214 F CB -2.007 36.918 39.000 -0.126 0.000 0.951 1214 F HN 0.086 nan 8.300 nan 0.000 0.503 1215 V N -0.685 119.229 119.914 -0.000 0.000 2.311 1215 V HA -0.357 3.746 4.120 -0.029 0.000 0.259 1215 V C 2.170 178.204 176.094 -0.100 0.000 1.086 1215 V CA 2.142 64.353 62.300 -0.148 0.000 1.078 1215 V CB -1.409 30.135 31.823 -0.465 0.000 0.668 1215 V HN 0.500 nan 8.190 nan 0.000 0.452 1216 L N -0.397 120.732 121.223 -0.157 0.000 1.950 1216 L HA -0.111 4.211 4.340 -0.029 0.000 0.210 1216 L C 2.727 179.517 176.870 -0.132 0.000 1.079 1216 L CA 2.122 56.862 54.840 -0.167 0.000 0.754 1216 L CB -0.804 41.022 42.059 -0.389 0.000 0.889 1216 L HN 0.293 nan 8.230 nan 0.000 0.433 1217 V N 0.308 120.123 119.914 -0.165 0.000 2.226 1217 V HA -0.413 3.690 4.120 -0.029 0.000 0.254 1217 V C 2.613 178.676 176.094 -0.050 0.000 1.065 1217 V CA 2.398 64.645 62.300 -0.089 0.000 1.039 1217 V CB -1.034 30.816 31.823 0.046 0.000 0.653 1217 V HN 0.505 nan 8.190 nan 0.000 0.450 1218 S N -0.335 115.368 115.700 0.005 0.000 2.380 1218 S HA -0.300 4.153 4.470 -0.029 0.000 0.229 1218 S C 1.965 176.553 174.600 -0.019 0.000 1.050 1218 S CA 1.948 60.167 58.200 0.033 0.000 1.100 1218 S CB -0.915 62.349 63.200 0.106 0.000 0.984 1218 S HN 0.486 nan 8.310 nan 0.000 0.434 1219 V N 1.972 121.848 119.914 -0.064 0.000 2.332 1219 V HA -0.157 3.946 4.120 -0.029 0.000 0.248 1219 V C 2.085 177.979 176.094 -0.333 0.000 1.055 1219 V CA 1.973 64.141 62.300 -0.220 0.000 1.038 1219 V CB -0.518 31.162 31.823 -0.240 0.000 0.651 1219 V HN 0.417 nan 8.190 nan 0.000 0.450 1220 V N -0.176 119.666 119.914 -0.119 0.000 2.270 1220 V HA -0.151 3.951 4.120 -0.029 0.000 0.245 1220 V C 2.689 178.825 176.094 0.070 0.000 1.043 1220 V CA 2.090 64.398 62.300 0.014 0.000 1.014 1220 V CB -0.934 31.009 31.823 0.199 0.000 0.645 1220 V HN 0.542 nan 8.190 nan 0.000 0.447 1221 E N 0.149 120.366 120.200 0.028 0.000 2.339 1221 E HA -0.235 4.098 4.350 -0.029 0.000 0.201 1221 E C 2.043 178.691 176.600 0.080 0.000 1.015 1221 E CA 1.437 57.864 56.400 0.045 0.000 0.841 1221 E CB -0.131 29.549 29.700 -0.032 0.000 0.754 1221 E HN 0.600 nan 8.360 nan 0.000 0.508 1222 A N -0.375 122.487 122.820 0.070 0.000 1.862 1222 A HA 0.041 4.344 4.320 -0.029 0.000 0.211 1222 A C 2.096 179.899 177.584 0.365 0.000 1.220 1222 A CA 0.375 52.512 52.037 0.166 0.000 0.616 1222 A CB -0.914 18.155 19.000 0.115 0.000 0.878 1222 A HN 0.283 nan 8.150 nan 0.000 0.453 1223 F N -0.651 119.389 119.950 0.150 0.000 2.307 1223 F HA -0.148 4.362 4.527 -0.029 0.000 0.301 1223 F C 1.912 177.813 175.800 0.168 0.000 1.076 1223 F CA 0.832 58.912 58.000 0.134 0.000 1.383 1223 F CB -0.001 39.060 39.000 0.102 0.000 1.055 1223 F HN 0.281 nan 8.300 nan 0.000 0.526 1224 I N -0.236 120.577 120.570 0.406 0.000 3.735 1224 I HA 0.089 4.242 4.170 -0.029 0.000 0.310 1224 I C 1.551 177.846 176.117 0.297 0.000 1.270 1224 I CA 0.368 61.899 61.300 0.384 0.000 1.207 1224 I CB -0.373 37.893 38.000 0.445 0.000 1.013 1224 I HN -0.023 nan 8.210 nan 0.000 0.452 1225 A N -0.387 122.613 122.820 0.299 0.000 1.938 1225 A HA 0.063 4.366 4.320 -0.029 0.000 0.207 1225 A C 1.998 179.826 177.584 0.407 0.000 1.292 1225 A CA 0.740 52.967 52.037 0.315 0.000 0.700 1225 A CB -0.737 18.444 19.000 0.301 0.000 0.947 1225 A HN 0.417 nan 8.150 nan 0.000 0.476 1226 S N 0.841 116.774 115.700 0.388 0.000 2.906 1226 S HA 0.338 4.790 4.470 -0.029 0.000 0.234 1226 S C 1.057 175.760 174.600 0.173 0.000 0.973 1226 S CA 0.585 58.957 58.200 0.287 0.000 1.036 1226 S CB -1.605 61.739 63.200 0.240 0.000 0.798 1226 S HN 1.681 nan 8.310 nan 0.000 0.498 1227 G N 2.597 111.521 108.800 0.207 0.000 2.310 1227 G HA2 -0.197 3.746 3.960 -0.029 0.000 0.235 1227 G HA3 -0.197 3.746 3.960 -0.029 0.000 0.235 1227 G C 0.040 174.991 174.900 0.084 0.000 0.339 1227 G CA 0.837 46.037 45.100 0.166 0.000 1.058 1227 G HN 1.473 nan 8.290 nan 0.000 0.460 1228 I N -0.142 120.472 120.570 0.073 0.000 2.926 1228 I HA 0.408 4.561 4.170 -0.029 0.000 0.295 1228 I C 0.321 176.396 176.117 -0.071 0.000 1.463 1228 I CA -0.671 60.597 61.300 -0.052 0.000 0.892 1228 I CB 1.075 38.966 38.000 -0.182 0.000 1.874 1228 I HN 0.177 nan 8.210 nan 0.000 0.620 1229 T N 2.842 117.301 114.554 -0.158 0.000 2.750 1229 T HA -0.002 4.331 4.350 -0.029 0.000 0.277 1229 T C 0.327 174.864 174.700 -0.271 0.000 0.996 1229 T CA 1.660 63.479 62.100 -0.468 0.000 1.195 1229 T CB -0.476 67.845 68.868 -0.911 0.000 0.963 1229 T HN 0.983 nan 8.240 nan 0.000 0.516 1230 D N 4.973 125.285 120.400 -0.147 0.000 3.975 1230 D HA -0.090 4.533 4.640 -0.029 0.000 0.251 1230 D C -1.333 174.998 176.300 0.052 0.000 1.046 1230 D CA 0.234 54.249 54.000 0.024 0.000 1.135 1230 D CB 0.003 40.824 40.800 0.035 0.000 0.911 1230 D HN 0.409 nan 8.370 nan 0.000 0.415 1231 P HA -0.258 nan 4.420 nan 0.000 0.220 1231 P C 1.102 178.356 177.300 -0.075 0.000 1.142 1231 P CA 1.285 64.335 63.100 -0.082 0.000 0.801 1231 P CB -0.138 31.665 31.700 0.172 0.000 0.764 1232 Y N 0.711 121.061 120.300 0.083 0.000 2.274 1232 Y HA -0.110 4.423 4.550 -0.029 0.000 0.290 1232 Y C 2.360 178.322 175.900 0.103 0.000 1.145 1232 Y CA 1.064 59.305 58.100 0.236 0.000 1.203 1232 Y CB -1.014 37.532 38.460 0.143 0.000 0.984 1232 Y HN 0.061 nan 8.280 nan 0.000 0.533 1233 E N 0.091 120.332 120.200 0.069 0.000 2.499 1233 E HA -0.181 4.151 4.350 -0.029 0.000 0.207 1233 E C 1.340 177.751 176.600 -0.315 0.000 1.175 1233 E CA 0.224 56.568 56.400 -0.093 0.000 0.932 1233 E CB -0.357 29.253 29.700 -0.151 0.000 0.906 1233 E HN 0.548 nan 8.360 nan 0.000 0.556 1234 M N -1.243 118.133 119.600 -0.373 0.000 2.567 1234 M HA 0.008 4.471 4.480 -0.029 0.000 0.261 1234 M C 0.758 176.830 176.300 -0.381 0.000 1.180 1234 M CA 0.280 55.235 55.300 -0.574 0.000 1.143 1234 M CB 0.315 32.431 32.600 -0.806 0.000 1.319 1234 M HN 0.210 nan 8.290 nan 0.000 0.490 1235 Y N 0.885 121.216 120.300 0.051 0.000 2.583 1235 Y HA -0.071 4.462 4.550 -0.029 0.000 0.293 1235 Y C 1.823 177.747 175.900 0.041 0.000 1.157 1235 Y CA 0.673 58.816 58.100 0.071 0.000 1.315 1235 Y CB -0.641 37.828 38.460 0.015 0.000 1.021 1235 Y HN 0.211 nan 8.280 nan 0.000 0.536 1236 K N -1.107 119.361 120.400 0.113 0.000 2.708 1236 K HA 0.054 4.356 4.320 -0.029 0.000 0.219 1236 K C -0.866 175.926 176.600 0.320 0.000 1.068 1236 K CA 0.203 56.572 56.287 0.137 0.000 1.212 1236 K CB -0.253 32.311 32.500 0.107 0.000 0.978 1236 K HN 0.134 nan 8.250 nan 0.000 0.475 1237 Y N 0.619 120.851 120.300 -0.114 0.000 2.750 1237 Y HA 0.099 4.631 4.550 -0.029 0.000 0.247 1237 Y C -0.651 174.842 175.900 -0.677 0.000 1.098 1237 Y CA -1.453 56.526 58.100 -0.201 0.000 1.120 1237 Y CB 0.756 39.241 38.460 0.040 0.000 1.210 1237 Y HN 0.175 nan 8.280 nan 0.000 0.601 1238 V N -0.153 119.557 119.914 -0.339 0.000 5.842 1238 V HA -0.257 3.846 4.120 -0.029 0.000 0.251 1238 V C -1.486 174.188 176.094 -0.701 0.000 0.667 1238 V CA 1.019 63.081 62.300 -0.397 0.000 0.844 1238 V CB -1.925 29.735 31.823 -0.273 0.000 0.924 1238 V HN 0.555 nan 8.190 nan 0.000 0.443 1239 H N 2.734 121.830 119.070 0.044 0.000 3.172 1239 H HA 0.417 4.955 4.556 -0.029 0.000 0.322 1239 H C 0.318 175.715 175.328 0.115 0.000 1.003 1239 H CA -0.218 55.853 56.048 0.038 0.000 1.466 1239 H CB 1.935 31.657 29.762 -0.066 0.000 1.673 1239 H HN 0.567 nan 8.280 nan 0.000 0.512 1240 V N 3.310 123.328 119.914 0.173 0.000 3.431 1240 V HA -0.121 3.981 4.120 -0.029 0.000 0.303 1240 V C 0.475 176.672 176.094 0.172 0.000 1.179 1240 V CA 1.455 63.828 62.300 0.122 0.000 1.284 1240 V CB -1.532 30.343 31.823 0.086 0.000 1.036 1240 V HN 0.954 nan 8.190 nan 0.000 0.425 1241 S N -0.255 115.621 115.700 0.293 0.000 2.749 1241 S HA -0.337 4.116 4.470 -0.029 0.000 0.265 1241 S C 1.013 175.735 174.600 0.203 0.000 1.307 1241 S CA 1.678 60.081 58.200 0.340 0.000 1.452 1241 S CB -1.219 62.140 63.200 0.264 0.000 1.834 1241 S HN 0.927 nan 8.310 nan 0.000 0.691 1242 E N 1.241 121.542 120.200 0.169 0.000 2.888 1242 E HA 0.215 4.548 4.350 -0.029 0.000 0.271 1242 E C -0.442 176.212 176.600 0.089 0.000 1.527 1242 E CA 0.402 56.878 56.400 0.128 0.000 1.700 1242 E CB -0.368 29.401 29.700 0.115 0.000 1.410 1242 E HN 0.499 nan 8.360 nan 0.000 0.445 1243 V N -1.603 118.351 119.914 0.066 0.000 3.063 1243 V HA 0.583 4.686 4.120 -0.029 0.000 0.249 1243 V C 0.114 176.174 176.094 -0.058 0.000 0.908 1243 V CA -0.339 61.953 62.300 -0.013 0.000 0.966 1243 V CB 0.593 32.373 31.823 -0.072 0.000 1.015 1243 V HN 0.227 nan 8.190 nan 0.000 0.512 1244 G N 1.979 110.777 108.800 -0.002 0.000 3.403 1244 G HA2 0.190 4.133 3.960 -0.029 0.000 0.156 1244 G HA3 0.190 4.133 3.960 -0.029 0.000 0.156 1244 G C -0.206 174.727 174.900 0.055 0.000 1.210 1244 G CA -0.188 44.918 45.100 0.010 0.000 1.452 1244 G HN 0.577 nan 8.290 nan 0.000 0.720 1245 N N 1.842 120.593 118.700 0.085 0.000 1.722 1245 N HA -0.133 4.590 4.740 -0.029 0.000 0.342 1245 N C 1.713 177.278 175.510 0.091 0.000 1.252 1245 N CA 0.933 54.041 53.050 0.097 0.000 0.780 1245 N CB 0.016 38.558 38.487 0.091 0.000 0.999 1245 N HN 0.834 nan 8.380 nan 0.000 0.513 1246 C N 2.545 121.912 119.300 0.111 0.000 2.914 1246 C HA 0.017 4.459 4.460 -0.029 0.000 0.205 1246 C C 1.337 176.384 174.990 0.094 0.000 1.794 1246 C CA 0.023 59.108 59.018 0.112 0.000 1.405 1246 C CB -0.743 27.083 27.740 0.144 0.000 1.785 1246 C HN 0.709 nan 8.230 nan 0.000 0.534 1247 S N -0.859 114.900 115.700 0.099 0.000 2.795 1247 S HA 0.342 4.795 4.470 -0.029 0.000 0.230 1247 S C 0.364 175.000 174.600 0.061 0.000 0.749 1247 S CA 0.107 58.352 58.200 0.075 0.000 1.066 1247 S CB -0.531 62.699 63.200 0.050 0.000 1.466 1247 S HN 1.383 nan 8.310 nan 0.000 0.502 1248 G N 2.293 111.162 108.800 0.116 0.000 2.785 1248 G HA2 0.475 4.418 3.960 -0.029 0.000 0.256 1248 G HA3 0.475 4.418 3.960 -0.029 0.000 0.256 1248 G C 0.361 175.199 174.900 -0.104 0.000 1.248 1248 G CA 0.817 45.906 45.100 -0.018 0.000 0.914 1248 G HN 1.084 nan 8.290 nan 0.000 0.580 1249 S N -2.155 113.250 115.700 -0.492 0.000 3.483 1249 S HA 0.710 5.162 4.470 -0.029 0.000 0.296 1249 S C 0.256 174.763 174.600 -0.155 0.000 1.197 1249 S CA 0.499 58.607 58.200 -0.154 0.000 1.357 1249 S CB 0.392 63.563 63.200 -0.049 0.000 1.590 1249 S HN 2.754 nan 8.310 nan 0.000 0.444 1250 G N 1.043 109.830 108.800 -0.023 0.000 2.352 1250 G HA2 0.169 4.112 3.960 -0.029 0.000 0.324 1250 G HA3 0.169 4.112 3.960 -0.029 0.000 0.324 1250 G C 0.302 175.263 174.900 0.101 0.000 1.249 1250 G CA 0.288 45.413 45.100 0.042 0.000 1.053 1250 G HN 1.671 nan 8.290 nan 0.000 0.492 1251 M N 0.713 120.389 119.600 0.127 0.000 2.461 1251 M HA 0.364 4.827 4.480 -0.029 0.000 0.255 1251 M C 1.523 177.888 176.300 0.108 0.000 1.137 1251 M CA 1.465 56.839 55.300 0.124 0.000 1.086 1251 M CB -0.277 32.415 32.600 0.153 0.000 1.356 1251 M HN 1.346 nan 8.290 nan 0.000 0.487 1252 G N 0.666 109.544 108.800 0.130 0.000 2.492 1252 G HA2 0.278 4.221 3.960 -0.029 0.000 0.353 1252 G HA3 0.278 4.221 3.960 -0.029 0.000 0.353 1252 G C 0.740 175.696 174.900 0.094 0.000 1.297 1252 G CA 0.559 45.734 45.100 0.125 0.000 1.192 1252 G HN 0.796 nan 8.290 nan 0.000 0.677 1253 G N -2.081 106.769 108.800 0.082 0.000 3.626 1253 G HA2 -0.084 3.858 3.960 -0.029 0.000 0.241 1253 G HA3 -0.084 3.858 3.960 -0.029 0.000 0.241 1253 G C 1.298 176.188 174.900 -0.018 0.000 1.824 1253 G CA 1.170 46.294 45.100 0.039 0.000 1.511 1253 G HN 2.109 nan 8.290 nan 0.000 0.600 1254 V N 0.960 120.838 119.914 -0.061 0.000 2.329 1254 V HA -0.248 3.855 4.120 -0.029 0.000 0.168 1254 V C 2.319 178.354 176.094 -0.100 0.000 0.806 1254 V CA 4.772 67.004 62.300 -0.114 0.000 0.968 1254 V CB -0.982 30.771 31.823 -0.116 0.000 0.709 1254 V HN 2.867 nan 8.190 nan 0.000 0.547 1255 S N -2.479 113.159 115.700 -0.103 0.000 2.852 1255 S HA -0.357 4.096 4.470 -0.029 0.000 0.286 1255 S C 0.840 175.378 174.600 -0.103 0.000 1.324 1255 S CA 2.666 60.810 58.200 -0.094 0.000 1.274 1255 S CB -1.357 61.807 63.200 -0.059 0.000 1.561 1255 S HN 2.501 nan 8.310 nan 0.000 0.735 1256 A N -1.413 121.339 122.820 -0.112 0.000 2.458 1256 A HA 0.401 4.704 4.320 -0.029 0.000 0.152 1256 A C 1.134 178.642 177.584 -0.125 0.000 1.790 1256 A CA 0.625 52.601 52.037 -0.103 0.000 1.327 1256 A CB -0.606 18.344 19.000 -0.084 0.000 1.572 1256 A HN 0.664 nan 8.150 nan 0.000 0.416 1257 L N 0.734 121.859 121.223 -0.163 0.000 2.127 1257 L HA -0.158 4.165 4.340 -0.029 0.000 0.211 1257 L C 2.434 179.104 176.870 -0.334 0.000 1.089 1257 L CA 2.417 57.111 54.840 -0.243 0.000 0.757 1257 L CB -0.332 41.564 42.059 -0.271 0.000 0.899 1257 L HN 0.613 nan 8.230 nan 0.000 0.434 1258 R N 0.081 120.418 120.500 -0.272 0.000 2.096 1258 R HA -0.192 4.131 4.340 -0.029 0.000 0.240 1258 R C 2.162 178.375 176.300 -0.146 0.000 1.139 1258 R CA 1.834 57.785 56.100 -0.249 0.000 0.952 1258 R CB -0.896 29.302 30.300 -0.170 0.000 0.854 1258 R HN 0.478 nan 8.270 nan 0.000 0.436 1259 G N 0.940 109.680 108.800 -0.099 0.000 2.503 1259 G HA2 -0.311 3.631 3.960 -0.029 0.000 0.221 1259 G HA3 -0.311 3.631 3.960 -0.029 0.000 0.221 1259 G C 1.505 176.424 174.900 0.031 0.000 1.131 1259 G CA 1.041 46.122 45.100 -0.031 0.000 0.756 1259 G HN 0.284 nan 8.290 nan 0.000 0.572 1260 M N -0.690 118.918 119.600 0.014 0.000 2.106 1260 M HA -0.045 4.418 4.480 -0.029 0.000 0.259 1260 M C 2.227 178.837 176.300 0.517 0.000 1.068 1260 M CA 1.605 57.029 55.300 0.206 0.000 1.100 1260 M CB -0.377 32.326 32.600 0.172 0.000 1.351 1260 M HN 0.452 nan 8.290 nan 0.000 0.404 1261 F N -1.278 118.653 119.950 -0.031 0.000 2.485 1261 F HA 0.042 4.552 4.527 -0.029 0.000 0.274 1261 F C 2.046 177.870 175.800 0.040 0.000 0.963 1261 F CA -0.262 57.722 58.000 -0.028 0.000 1.169 1261 F CB -0.365 38.596 39.000 -0.065 0.000 1.145 1261 F HN -0.185 nan 8.300 nan 0.000 0.682 1262 K N 0.366 120.903 120.400 0.228 0.000 2.555 1262 K HA -0.050 4.253 4.320 -0.029 0.000 0.193 1262 K C -0.987 175.670 176.600 0.094 0.000 1.032 1262 K CA 0.698 57.078 56.287 0.155 0.000 1.004 1262 K CB -0.304 32.227 32.500 0.053 0.000 0.804 1262 K HN 0.255 nan 8.250 nan 0.000 0.496 1263 D N 0.590 121.043 120.400 0.088 0.000 2.412 1263 D HA 0.281 4.903 4.640 -0.029 0.000 0.276 1263 D C -0.749 175.590 176.300 0.066 0.000 1.196 1263 D CA -0.317 53.707 54.000 0.041 0.000 0.905 1263 D CB 0.787 41.590 40.800 0.005 0.000 1.081 1263 D HN -0.012 nan 8.370 nan 0.000 0.502 1264 R N 1.178 121.725 120.500 0.079 0.000 3.942 1264 R HA -0.006 4.317 4.340 -0.029 0.000 0.239 1264 R C -1.135 175.263 176.300 0.164 0.000 0.867 1264 R CA -0.759 55.394 56.100 0.087 0.000 0.758 1264 R CB -0.508 29.853 30.300 0.101 0.000 1.417 1264 R HN 0.168 nan 8.270 nan 0.000 0.487 1265 F N 0.776 120.715 119.950 -0.019 0.000 3.105 1265 F HA -0.293 4.217 4.527 -0.028 0.000 0.280 1265 F C 0.241 176.028 175.800 -0.021 0.000 0.894 1265 F CA 2.501 60.486 58.000 -0.026 0.000 0.992 1265 F CB -0.652 38.333 39.000 -0.026 0.000 1.047 1265 F HN 0.588 nan 8.300 nan 0.000 0.607 1266 K N -0.014 120.298 120.400 -0.146 0.000 2.434 1266 K HA 0.032 4.335 4.320 -0.029 0.000 0.170 1266 K C 0.286 176.837 176.600 -0.080 0.000 1.738 1266 K CA 0.404 56.587 56.287 -0.172 0.000 1.027 1266 K CB -0.176 32.261 32.500 -0.105 0.000 1.595 1266 K HN 0.120 nan 8.250 nan 0.000 0.546 1267 D N 2.393 122.768 120.400 -0.042 0.000 2.859 1267 D HA -0.210 4.413 4.640 -0.029 0.000 0.214 1267 D C -0.145 176.146 176.300 -0.014 0.000 1.250 1267 D CA 1.320 55.311 54.000 -0.015 0.000 0.635 1267 D CB -0.316 40.475 40.800 -0.016 0.000 0.961 1267 D HN 0.443 nan 8.370 nan 0.000 0.395 1268 E N 0.205 120.398 120.200 -0.013 0.000 4.034 1268 E HA 0.484 4.817 4.350 -0.029 0.000 0.297 1268 E C -1.940 174.656 176.600 -0.007 0.000 1.372 1268 E CA -1.055 55.336 56.400 -0.015 0.000 1.555 1268 E CB 0.300 29.987 29.700 -0.022 0.000 1.488 1268 E HN 0.270 nan 8.360 nan 0.000 0.782 1269 P HA 0.319 nan 4.420 nan 0.000 0.306 1269 P C -1.401 175.894 177.300 -0.009 0.000 1.415 1269 P CA -0.369 62.726 63.100 -0.007 0.000 0.959 1269 P CB 1.275 32.969 31.700 -0.011 0.000 1.003 1270 V N 3.919 123.832 119.914 -0.002 0.000 2.668 1270 V HA 0.169 4.272 4.120 -0.029 0.000 0.304 1270 V C 0.335 176.432 176.094 0.005 0.000 1.071 1270 V CA -0.845 61.453 62.300 -0.003 0.000 0.894 1270 V CB 2.099 33.923 31.823 0.001 0.000 1.008 1270 V HN 0.609 nan 8.190 nan 0.000 0.425 1271 Q N 3.226 123.027 119.800 0.002 0.000 2.520 1271 Q HA -0.133 4.190 4.340 -0.029 0.000 0.320 1271 Q C 0.885 176.900 176.000 0.024 0.000 1.104 1271 Q CA 0.764 56.574 55.803 0.012 0.000 1.062 1271 Q CB -0.323 28.420 28.738 0.010 0.000 1.005 1271 Q HN 0.835 nan 8.270 nan 0.000 0.390 1272 N N 3.127 121.843 118.700 0.027 0.000 2.106 1272 N HA -0.332 4.391 4.740 -0.029 0.000 0.200 1272 N C -0.044 175.494 175.510 0.046 0.000 1.014 1272 N CA 2.111 55.181 53.050 0.033 0.000 0.891 1272 N CB -0.437 38.069 38.487 0.032 0.000 1.069 1272 N HN 0.885 nan 8.380 nan 0.000 0.490 1273 D N -0.517 119.917 120.400 0.057 0.000 2.339 1273 D HA 0.206 4.828 4.640 -0.029 0.000 0.256 1273 D C 0.501 176.852 176.300 0.084 0.000 1.214 1273 D CA -0.289 53.760 54.000 0.082 0.000 0.877 1273 D CB 0.647 41.505 40.800 0.096 0.000 1.111 1273 D HN 0.301 nan 8.370 nan 0.000 0.478 1274 I N 3.040 123.661 120.570 0.085 0.000 5.154 1274 I HA -0.096 4.057 4.170 -0.029 0.000 0.321 1274 I C 1.138 177.282 176.117 0.044 0.000 1.120 1274 I CA -0.159 61.178 61.300 0.062 0.000 1.524 1274 I CB -0.502 37.514 38.000 0.026 0.000 1.880 1274 I HN 0.514 nan 8.210 nan 0.000 0.588 1275 L N 2.279 123.522 121.223 0.033 0.000 2.351 1275 L HA -0.234 4.089 4.340 -0.029 0.000 0.220 1275 L C 1.928 178.760 176.870 -0.063 0.000 1.127 1275 L CA 2.028 56.842 54.840 -0.044 0.000 0.786 1275 L CB -0.744 41.319 42.059 0.007 0.000 0.914 1275 L HN 0.529 nan 8.230 nan 0.000 0.443 1276 Q N 0.320 120.218 119.800 0.163 0.000 1.956 1276 Q HA -0.277 4.046 4.340 -0.029 0.000 0.208 1276 Q C 1.509 177.710 176.000 0.335 0.000 0.998 1276 Q CA 2.508 58.531 55.803 0.366 0.000 0.855 1276 Q CB -0.026 28.886 28.738 0.291 0.000 0.928 1276 Q HN 0.404 nan 8.270 nan 0.000 0.418 1277 E N 0.074 120.408 120.200 0.223 0.000 2.533 1277 E HA -0.089 4.244 4.350 -0.029 0.000 0.203 1277 E C 1.430 178.051 176.600 0.035 0.000 1.101 1277 E CA 0.457 56.969 56.400 0.187 0.000 0.894 1277 E CB -0.177 29.592 29.700 0.114 0.000 0.843 1277 E HN 0.256 nan 8.360 nan 0.000 0.552 1278 S N -0.072 115.539 115.700 -0.148 0.000 2.344 1278 S HA -0.128 4.325 4.470 -0.029 0.000 0.217 1278 S C 0.377 174.877 174.600 -0.167 0.000 1.033 1278 S CA 0.223 58.248 58.200 -0.291 0.000 1.017 1278 S CB -0.266 62.565 63.200 -0.615 0.000 0.941 1278 S HN 0.233 nan 8.310 nan 0.000 0.430 1279 F N 3.251 123.239 119.950 0.063 0.000 2.433 1279 F HA -0.010 4.500 4.527 -0.028 0.000 0.398 1279 F C 1.334 177.189 175.800 0.091 0.000 1.002 1279 F CA -0.472 57.569 58.000 0.067 0.000 1.053 1279 F CB -0.802 38.227 39.000 0.049 0.000 0.928 1279 F HN 0.155 nan 8.300 nan 0.000 0.529 1280 I N 1.654 122.384 120.570 0.266 0.000 2.113 1280 I HA -0.399 3.754 4.170 -0.029 0.000 0.242 1280 I C 2.026 178.300 176.117 0.262 0.000 1.057 1280 I CA 2.022 63.469 61.300 0.246 0.000 1.314 1280 I CB -1.613 36.509 38.000 0.203 0.000 1.022 1280 I HN 0.638 nan 8.210 nan 0.000 0.408 1281 N N -0.266 118.567 118.700 0.221 0.000 2.635 1281 N HA -0.137 4.586 4.740 -0.029 0.000 0.191 1281 N C 1.284 176.870 175.510 0.127 0.000 1.155 1281 N CA 1.328 54.473 53.050 0.157 0.000 0.927 1281 N CB -0.852 37.687 38.487 0.087 0.000 0.976 1281 N HN 0.439 nan 8.380 nan 0.000 0.448 1282 T N -0.184 114.482 114.554 0.187 0.000 2.985 1282 T HA 0.064 4.397 4.350 -0.029 0.000 0.266 1282 T C 1.408 176.237 174.700 0.214 0.000 1.076 1282 T CA 0.572 62.771 62.100 0.166 0.000 1.135 1282 T CB -0.097 68.952 68.868 0.301 0.000 0.890 1282 T HN 0.131 nan 8.240 nan 0.000 0.480 1283 M N 1.394 121.104 119.600 0.183 0.000 2.091 1283 M HA -0.034 4.429 4.480 -0.029 0.000 0.259 1283 M C 2.591 178.952 176.300 0.102 0.000 1.076 1283 M CA 1.495 56.836 55.300 0.069 0.000 1.111 1283 M CB -1.255 31.226 32.600 -0.198 0.000 1.291 1283 M HN 0.061 nan 8.290 nan 0.000 0.417 1284 S N 0.551 116.333 115.700 0.138 0.000 2.381 1284 S HA -0.260 4.192 4.470 -0.029 0.000 0.230 1284 S C 2.060 176.716 174.600 0.093 0.000 1.052 1284 S CA 1.639 59.922 58.200 0.139 0.000 1.068 1284 S CB -0.971 62.327 63.200 0.163 0.000 0.918 1284 S HN 0.600 nan 8.310 nan 0.000 0.448 1285 A N 1.172 124.022 122.820 0.051 0.000 1.903 1285 A HA -0.197 4.106 4.320 -0.029 0.000 0.219 1285 A C 1.948 179.485 177.584 -0.078 0.000 1.191 1285 A CA 1.631 53.635 52.037 -0.056 0.000 0.638 1285 A CB -0.898 18.005 19.000 -0.163 0.000 0.823 1285 A HN 0.686 nan 8.150 nan 0.000 0.451 1286 W N 0.004 121.316 121.300 0.021 0.000 2.407 1286 W HA -0.073 4.570 4.660 -0.029 0.000 0.305 1286 W C 2.263 178.804 176.519 0.036 0.000 1.196 1286 W CA 1.291 58.650 57.345 0.023 0.000 1.311 1286 W CB -0.863 28.597 29.460 0.002 0.000 1.135 1286 W HN 0.190 nan 8.180 nan 0.000 0.514 1287 V N 0.997 121.056 119.914 0.242 0.000 2.495 1287 V HA -0.386 3.717 4.120 -0.029 0.000 0.260 1287 V C 2.066 178.245 176.094 0.141 0.000 1.097 1287 V CA 2.218 64.612 62.300 0.157 0.000 1.105 1287 V CB -0.954 30.925 31.823 0.095 0.000 0.678 1287 V HN 0.317 nan 8.190 nan 0.000 0.469 1288 N N -0.048 118.724 118.700 0.121 0.000 2.244 1288 N HA -0.061 4.662 4.740 -0.029 0.000 0.189 1288 N C 1.951 177.521 175.510 0.100 0.000 1.047 1288 N CA 1.303 54.411 53.050 0.098 0.000 0.870 1288 N CB -0.023 38.505 38.487 0.069 0.000 1.041 1288 N HN 0.456 nan 8.380 nan 0.000 0.448 1289 M N 0.544 120.190 119.600 0.077 0.000 2.514 1289 M HA -0.087 4.376 4.480 -0.029 0.000 0.259 1289 M C -0.401 175.993 176.300 0.157 0.000 1.073 1289 M CA 1.060 56.414 55.300 0.090 0.000 1.049 1289 M CB -0.542 32.071 32.600 0.022 0.000 1.392 1289 M HN 0.000 nan 8.290 nan 0.000 0.466 1290 L N 1.230 122.569 121.223 0.194 0.000 2.362 1290 L HA 0.597 4.919 4.340 -0.029 0.000 0.275 1290 L C -0.147 176.791 176.870 0.113 0.000 0.998 1290 L CA -0.635 54.312 54.840 0.177 0.000 0.820 1290 L CB 1.448 43.690 42.059 0.304 0.000 1.270 1290 L HN 0.133 nan 8.230 nan 0.000 0.415 1291 L N 1.781 123.019 121.223 0.024 0.000 7.836 1291 L HA -0.262 4.060 4.340 -0.029 0.000 0.064 1291 L C 0.624 177.457 176.870 -0.063 0.000 1.275 1291 L CA 0.950 55.784 54.840 -0.010 0.000 1.424 1291 L CB -1.313 40.791 42.059 0.074 0.000 2.916 1291 L HN 0.785 nan 8.230 nan 0.000 1.197 1292 I N 0.890 121.480 120.570 0.034 0.000 3.392 1292 I HA -0.196 3.957 4.170 -0.029 0.000 0.280 1292 I C 1.344 177.481 176.117 0.032 0.000 1.113 1292 I CA 1.374 62.717 61.300 0.071 0.000 2.054 1292 I CB 0.141 38.331 38.000 0.317 0.000 1.141 1292 I HN 0.663 nan 8.210 nan 0.000 0.410 1293 S N 4.590 120.251 115.700 -0.064 0.000 2.701 1293 S HA -0.005 4.447 4.470 -0.029 0.000 0.220 1293 S C 0.933 175.621 174.600 0.147 0.000 0.954 1293 S CA 0.234 58.459 58.200 0.041 0.000 0.936 1293 S CB -0.328 62.891 63.200 0.032 0.000 0.777 1293 S HN 0.856 nan 8.310 nan 0.000 0.518 1294 S N 1.723 117.555 115.700 0.220 0.000 3.361 1294 S HA -0.030 4.423 4.470 -0.029 0.000 0.396 1294 S C 0.811 175.531 174.600 0.200 0.000 1.165 1294 S CA 0.009 58.362 58.200 0.255 0.000 1.192 1294 S CB -0.202 63.099 63.200 0.169 0.000 0.843 1294 S HN 0.510 nan 8.310 nan 0.000 0.528 1295 S N 4.477 120.317 115.700 0.234 0.000 2.906 1295 S HA 0.172 4.625 4.470 -0.029 0.000 0.234 1295 S C 1.308 176.022 174.600 0.189 0.000 0.973 1295 S CA -0.059 58.292 58.200 0.252 0.000 1.036 1295 S CB -0.336 63.103 63.200 0.399 0.000 0.798 1295 S HN 0.847 nan 8.310 nan 0.000 0.498 1296 G N 2.989 111.878 108.800 0.149 0.000 2.447 1296 G HA2 0.311 4.254 3.960 -0.029 0.000 0.269 1296 G HA3 0.311 4.254 3.960 -0.029 0.000 0.269 1296 G C -2.479 172.469 174.900 0.080 0.000 1.455 1296 G CA -0.617 44.546 45.100 0.105 0.000 1.061 1296 G HN 0.304 nan 8.290 nan 0.000 0.545 1297 P HA 0.582 nan 4.420 nan 0.000 0.295 1297 P C -1.291 176.037 177.300 0.047 0.000 1.319 1297 P CA -0.556 62.571 63.100 0.046 0.000 0.940 1297 P CB 2.664 34.386 31.700 0.038 0.000 1.192 1298 I N 1.478 122.071 120.570 0.039 0.000 2.619 1298 I HA 0.333 4.486 4.170 -0.029 0.000 0.292 1298 I C 0.192 176.332 176.117 0.038 0.000 1.100 1298 I CA -0.834 60.492 61.300 0.045 0.000 1.043 1298 I CB 2.254 40.281 38.000 0.044 0.000 1.239 1298 I HN 0.159 nan 8.210 nan 0.000 0.420 1299 K N 2.870 123.297 120.400 0.045 0.000 2.409 1299 K HA 0.388 4.690 4.320 -0.029 0.000 0.237 1299 K C -0.392 176.237 176.600 0.048 0.000 1.083 1299 K CA 0.609 56.919 56.287 0.039 0.000 0.914 1299 K CB -0.327 32.194 32.500 0.034 0.000 1.300 1299 K HN 0.743 nan 8.250 nan 0.000 0.454 1300 T N 2.775 117.362 114.554 0.056 0.000 1.451 1300 T HA -0.069 4.263 4.350 -0.029 0.000 0.669 1300 T C -2.433 172.298 174.700 0.052 0.000 0.957 1300 T CA 0.087 62.227 62.100 0.067 0.000 3.547 1300 T CB -0.262 68.663 68.868 0.095 0.000 2.038 1300 T HN 0.187 nan 8.240 nan 0.000 0.411 1301 P HA 0.752 nan 4.420 nan 0.000 0.346 1301 P C 0.491 177.812 177.300 0.035 0.000 1.303 1301 P CA 0.404 63.522 63.100 0.030 0.000 0.801 1301 P CB 0.905 32.614 31.700 0.014 0.000 1.827 1302 V N -6.208 113.724 119.914 0.030 0.000 5.812 1302 V HA 0.573 4.676 4.120 -0.029 0.000 0.082 1302 V C 1.326 177.443 176.094 0.039 0.000 0.847 1302 V CA 0.368 62.695 62.300 0.044 0.000 1.309 1302 V CB -1.494 30.364 31.823 0.058 0.000 2.393 1302 V HN 0.657 nan 8.190 nan 0.000 0.406 1303 G N 1.846 110.676 108.800 0.050 0.000 2.416 1303 G HA2 -0.000 3.942 3.960 -0.029 0.000 0.301 1303 G HA3 -0.000 3.942 3.960 -0.029 0.000 0.301 1303 G C 0.574 175.510 174.900 0.059 0.000 0.985 1303 G CA 0.850 45.978 45.100 0.047 0.000 0.934 1303 G HN 1.972 nan 8.290 nan 0.000 0.513 1304 A N -1.906 120.979 122.820 0.109 0.000 2.609 1304 A HA 0.373 4.675 4.320 -0.029 0.000 0.235 1304 A C 2.013 179.688 177.584 0.151 0.000 1.092 1304 A CA 1.306 53.432 52.037 0.148 0.000 0.780 1304 A CB -0.533 18.604 19.000 0.228 0.000 1.031 1304 A HN 2.304 nan 8.150 nan 0.000 0.515 1305 C N -1.089 118.295 119.300 0.140 0.000 5.885 1305 C HA -0.297 4.145 4.460 -0.029 0.000 0.328 1305 C C 2.206 177.202 174.990 0.009 0.000 2.433 1305 C CA 1.843 60.905 59.018 0.073 0.000 2.197 1305 C CB -1.631 26.086 27.740 -0.038 0.000 3.236 1305 C HN 2.227 nan 8.230 nan 0.000 0.260 1306 A N -0.343 122.434 122.820 -0.072 0.000 2.308 1306 A HA 0.403 4.705 4.320 -0.029 0.000 0.217 1306 A C 0.947 178.475 177.584 -0.093 0.000 1.216 1306 A CA 1.965 53.900 52.037 -0.172 0.000 0.864 1306 A CB -0.423 18.457 19.000 -0.201 0.000 0.902 1306 A HN 1.112 nan 8.150 nan 0.000 0.499 1307 T N -0.612 113.920 114.554 -0.038 0.000 2.895 1307 T HA 0.227 4.559 4.350 -0.029 0.000 0.386 1307 T C 1.574 176.248 174.700 -0.044 0.000 1.112 1307 T CA 2.415 64.495 62.100 -0.033 0.000 1.070 1307 T CB 0.127 68.981 68.868 -0.023 0.000 1.319 1307 T HN 1.754 nan 8.240 nan 0.000 0.519 1308 S N -1.772 113.895 115.700 -0.056 0.000 1.637 1308 S HA -0.263 4.189 4.470 -0.029 0.000 0.232 1308 S C 1.514 176.104 174.600 -0.017 0.000 0.808 1308 S CA 1.831 60.005 58.200 -0.044 0.000 1.437 1308 S CB -2.234 60.957 63.200 -0.015 0.000 1.838 1308 S HN 0.788 nan 8.310 nan 0.000 0.525 1309 V N 3.673 123.574 119.914 -0.022 0.000 2.515 1309 V HA -0.061 4.042 4.120 -0.029 0.000 0.250 1309 V C 2.815 178.892 176.094 -0.029 0.000 1.058 1309 V CA 2.774 65.059 62.300 -0.026 0.000 1.064 1309 V CB -1.090 30.700 31.823 -0.056 0.000 0.675 1309 V HN 0.836 nan 8.190 nan 0.000 0.461 1310 E N 0.436 120.616 120.200 -0.034 0.000 2.160 1310 E HA -0.223 4.109 4.350 -0.029 0.000 0.195 1310 E C 2.228 178.820 176.600 -0.013 0.000 0.991 1310 E CA 1.908 58.293 56.400 -0.025 0.000 0.810 1310 E CB -0.419 29.268 29.700 -0.021 0.000 0.742 1310 E HN 0.518 nan 8.360 nan 0.000 0.466 1311 S N -0.918 114.774 115.700 -0.013 0.000 2.326 1311 S HA -0.110 4.343 4.470 -0.029 0.000 0.211 1311 S C 1.942 176.548 174.600 0.010 0.000 1.031 1311 S CA 1.332 59.532 58.200 0.000 0.000 0.985 1311 S CB -0.768 62.431 63.200 -0.003 0.000 0.961 1311 S HN 0.217 nan 8.310 nan 0.000 0.436 1312 V N 3.480 123.403 119.914 0.015 0.000 2.255 1312 V HA -0.379 3.724 4.120 -0.029 0.000 0.258 1312 V C 2.451 178.553 176.094 0.014 0.000 1.069 1312 V CA 2.741 65.053 62.300 0.020 0.000 1.082 1312 V CB -1.226 30.606 31.823 0.014 0.000 0.707 1312 V HN 0.747 nan 8.190 nan 0.000 0.466 1313 D N -0.353 120.049 120.400 0.004 0.000 2.242 1313 D HA -0.242 4.381 4.640 -0.029 0.000 0.193 1313 D C 2.059 178.363 176.300 0.007 0.000 1.005 1313 D CA 2.840 56.841 54.000 0.002 0.000 0.856 1313 D CB -0.300 40.497 40.800 -0.005 0.000 1.001 1313 D HN 0.469 nan 8.370 nan 0.000 0.452 1314 I N 0.884 121.459 120.570 0.008 0.000 2.121 1314 I HA -0.343 3.810 4.170 -0.029 0.000 0.243 1314 I C 2.629 178.757 176.117 0.017 0.000 1.047 1314 I CA 1.909 63.216 61.300 0.012 0.000 1.308 1314 I CB -0.715 37.294 38.000 0.015 0.000 1.015 1314 I HN 0.242 nan 8.210 nan 0.000 0.410 1315 G N -0.294 108.520 108.800 0.023 0.000 2.434 1315 G HA2 -0.232 3.711 3.960 -0.029 0.000 0.214 1315 G HA3 -0.232 3.711 3.960 -0.029 0.000 0.214 1315 G C 1.742 176.655 174.900 0.021 0.000 1.202 1315 G CA 0.838 45.954 45.100 0.028 0.000 0.788 1315 G HN 0.295 nan 8.290 nan 0.000 0.539 1316 V N 0.651 120.577 119.914 0.019 0.000 2.317 1316 V HA -0.199 3.904 4.120 -0.029 0.000 0.251 1316 V C 2.739 178.838 176.094 0.009 0.000 1.065 1316 V CA 2.883 65.192 62.300 0.015 0.000 1.049 1316 V CB -0.294 31.538 31.823 0.015 0.000 0.651 1316 V HN 0.419 nan 8.190 nan 0.000 0.450 1317 E N -0.597 119.608 120.200 0.008 0.000 2.409 1317 E HA -0.105 4.228 4.350 -0.029 0.000 0.198 1317 E C 2.043 178.645 176.600 0.004 0.000 1.024 1317 E CA 1.371 57.773 56.400 0.004 0.000 0.861 1317 E CB -0.156 29.545 29.700 0.002 0.000 0.788 1317 E HN 0.695 nan 8.360 nan 0.000 0.521 1318 T N -0.058 114.502 114.554 0.008 0.000 3.037 1318 T HA 0.092 4.425 4.350 -0.029 0.000 0.252 1318 T C 1.509 176.214 174.700 0.008 0.000 1.073 1318 T CA -0.049 62.056 62.100 0.010 0.000 1.091 1318 T CB 0.204 69.082 68.868 0.016 0.000 0.935 1318 T HN 0.068 nan 8.240 nan 0.000 0.488 1319 I N 1.726 122.301 120.570 0.007 0.000 2.202 1319 I HA -0.051 4.102 4.170 -0.029 0.000 0.242 1319 I C 2.256 178.373 176.117 -0.000 0.000 1.091 1319 I CA 0.851 62.153 61.300 0.003 0.000 1.368 1319 I CB -1.328 36.673 38.000 0.003 0.000 1.058 1319 I HN 0.237 nan 8.210 nan 0.000 0.410 1320 L N 1.058 122.279 121.223 -0.002 0.000 1.952 1320 L HA -0.199 4.124 4.340 -0.029 0.000 0.236 1320 L C 1.589 178.454 176.870 -0.008 0.000 1.092 1320 L CA 1.541 56.376 54.840 -0.009 0.000 0.817 1320 L CB -1.358 40.694 42.059 -0.012 0.000 0.907 1320 L HN 0.145 nan 8.230 nan 0.000 0.438 1321 S N 0.046 115.742 115.700 -0.007 0.000 2.593 1321 S HA 0.196 4.649 4.470 -0.029 0.000 0.300 1321 S C 0.978 175.578 174.600 -0.000 0.000 1.267 1321 S CA 0.080 58.276 58.200 -0.005 0.000 1.065 1321 S CB -0.148 63.050 63.200 -0.003 0.000 0.807 1321 S HN 0.799 nan 8.310 nan 0.000 0.499 1322 G N 4.391 113.191 108.800 0.000 0.000 3.211 1322 G HA2 -0.019 3.924 3.960 -0.029 0.000 0.235 1322 G HA3 -0.019 3.924 3.960 -0.029 0.000 0.235 1322 G C 0.840 175.747 174.900 0.012 0.000 1.032 1322 G CA -0.101 45.002 45.100 0.005 0.000 1.819 1322 G HN 0.811 nan 8.290 nan 0.000 0.590 1323 K N -0.382 120.025 120.400 0.012 0.000 2.314 1323 K HA 0.452 4.755 4.320 -0.029 0.000 0.198 1323 K C 0.756 177.370 176.600 0.023 0.000 1.045 1323 K CA 0.813 57.111 56.287 0.018 0.000 0.988 1323 K CB 0.234 32.743 32.500 0.016 0.000 0.783 1323 K HN 0.466 nan 8.250 nan 0.000 0.484 1324 A N 1.129 123.959 122.820 0.017 0.000 2.611 1324 A HA 0.230 4.533 4.320 -0.029 0.000 0.302 1324 A C -1.700 175.882 177.584 -0.004 0.000 0.947 1324 A CA -1.136 50.907 52.037 0.011 0.000 0.697 1324 A CB 0.546 19.553 19.000 0.013 0.000 1.247 1324 A HN 0.134 nan 8.150 nan 0.000 0.403 1325 R N 0.780 121.264 120.500 -0.027 0.000 2.778 1325 R HA 0.845 5.168 4.340 -0.029 0.000 0.277 1325 R C -0.812 175.432 176.300 -0.094 0.000 0.977 1325 R CA -0.558 55.519 56.100 -0.038 0.000 0.950 1325 R CB 0.620 30.910 30.300 -0.016 0.000 1.165 1325 R HN 1.497 nan 8.270 nan 0.000 0.474 1326 I N -0.255 120.274 120.570 -0.068 0.000 6.847 1326 I HA -0.231 3.922 4.170 -0.029 0.000 0.126 1326 I C -0.085 176.007 176.117 -0.042 0.000 1.831 1326 I CA 0.123 61.374 61.300 -0.082 0.000 2.038 1326 I CB -1.563 36.318 38.000 -0.198 0.000 3.553 1326 I HN 0.923 nan 8.210 nan 0.000 0.169 1327 C N 4.342 123.650 119.300 0.013 0.000 2.354 1327 C HA 0.790 5.233 4.460 -0.029 0.000 0.381 1327 C C 1.780 176.830 174.990 0.100 0.000 1.240 1327 C CA -0.220 58.829 59.018 0.050 0.000 2.089 1327 C CB 1.511 29.279 27.740 0.047 0.000 2.234 1327 C HN 0.738 nan 8.230 nan 0.000 0.544 1328 I N 2.560 123.207 120.570 0.128 0.000 3.936 1328 I HA 0.333 4.486 4.170 -0.029 0.000 0.330 1328 I C 0.687 176.889 176.117 0.143 0.000 1.509 1328 I CA 0.320 61.721 61.300 0.170 0.000 1.126 1328 I CB -0.407 37.721 38.000 0.214 0.000 1.115 1328 I HN 0.800 nan 8.210 nan 0.000 0.424 1329 V N 1.147 121.127 119.914 0.111 0.000 0.690 1329 V HA -0.248 3.855 4.120 -0.029 0.000 0.092 1329 V C 0.547 176.691 176.094 0.085 0.000 0.775 1329 V CA 0.963 63.318 62.300 0.092 0.000 3.098 1329 V CB -1.317 30.567 31.823 0.102 0.000 0.185 1329 V HN 0.710 nan 8.190 nan 0.000 0.077 1330 G N -2.726 106.112 108.800 0.063 0.000 2.554 1330 G HA2 0.896 4.839 3.960 -0.029 0.000 0.306 1330 G HA3 0.896 4.839 3.960 -0.029 0.000 0.306 1330 G C 0.104 174.951 174.900 -0.087 0.000 1.320 1330 G CA 0.847 45.939 45.100 -0.012 0.000 0.800 1330 G HN 2.632 nan 8.290 nan 0.000 0.481 1331 G N -1.605 106.969 108.800 -0.377 0.000 2.295 1331 G HA2 0.612 4.555 3.960 -0.029 0.000 0.155 1331 G HA3 0.612 4.555 3.960 -0.029 0.000 0.155 1331 G C -0.088 174.361 174.900 -0.751 0.000 1.307 1331 G CA 0.457 45.348 45.100 -0.348 0.000 1.140 1331 G HN 2.643 nan 8.290 nan 0.000 0.470 1332 Y N -0.768 119.525 120.300 -0.013 0.000 2.511 1332 Y HA 0.162 4.695 4.550 -0.029 0.000 0.177 1332 Y C -0.629 175.269 175.900 -0.002 0.000 1.702 1332 Y CA 0.471 58.547 58.100 -0.040 0.000 1.417 1332 Y CB -0.679 37.812 38.460 0.052 0.000 2.059 1332 Y HN 1.271 nan 8.280 nan 0.000 0.256 1333 D N 0.934 121.432 120.400 0.164 0.000 2.890 1333 D HA 0.338 4.961 4.640 -0.029 0.000 0.306 1333 D C -1.891 174.446 176.300 0.061 0.000 1.280 1333 D CA -0.030 54.059 54.000 0.149 0.000 0.742 1333 D CB 1.964 42.841 40.800 0.127 0.000 1.266 1333 D HN 0.699 nan 8.370 nan 0.000 0.433 1334 D N -1.019 119.436 120.400 0.092 0.000 2.664 1334 D HA 0.502 5.125 4.640 -0.029 0.000 0.292 1334 D C -1.619 174.773 176.300 0.153 0.000 1.214 1334 D CA -0.435 53.617 54.000 0.087 0.000 0.932 1334 D CB 1.349 42.235 40.800 0.142 0.000 1.420 1334 D HN 0.121 nan 8.370 nan 0.000 0.471 1335 F N 2.016 121.967 119.950 0.002 0.000 2.382 1335 F HA 0.590 5.100 4.527 -0.028 0.000 0.361 1335 F C -0.731 175.075 175.800 0.011 0.000 1.109 1335 F CA -0.272 57.727 58.000 -0.001 0.000 1.031 1335 F CB 1.033 40.056 39.000 0.037 0.000 1.234 1335 F HN 0.177 nan 8.300 nan 0.000 0.445 1336 Q N 3.119 122.571 119.800 -0.580 0.000 2.495 1336 Q HA 0.281 4.604 4.340 -0.029 0.000 0.283 1336 Q C 1.106 176.726 176.000 -0.633 0.000 1.097 1336 Q CA -0.393 55.062 55.803 -0.580 0.000 0.836 1336 Q CB 1.688 30.261 28.738 -0.274 0.000 1.426 1336 Q HN 0.750 nan 8.270 nan 0.000 0.459 1337 E N 0.677 120.623 120.200 -0.424 0.000 2.026 1337 E HA -0.312 4.021 4.350 -0.029 0.000 0.206 1337 E C 1.067 177.527 176.600 -0.234 0.000 1.028 1337 E CA 2.100 58.321 56.400 -0.299 0.000 0.845 1337 E CB 0.046 29.611 29.700 -0.225 0.000 0.772 1337 E HN 0.713 nan 8.360 nan 0.000 0.462 1338 E N 0.410 120.479 120.200 -0.219 0.000 2.130 1338 E HA -0.196 4.136 4.350 -0.029 0.000 0.196 1338 E C 1.989 178.547 176.600 -0.069 0.000 0.998 1338 E CA 1.181 57.481 56.400 -0.166 0.000 0.806 1338 E CB -1.039 28.573 29.700 -0.146 0.000 0.738 1338 E HN 0.449 nan 8.360 nan 0.000 0.459 1339 G N 1.980 110.699 108.800 -0.135 0.000 2.941 1339 G HA2 -0.304 3.639 3.960 -0.029 0.000 0.206 1339 G HA3 -0.304 3.639 3.960 -0.029 0.000 0.206 1339 G C 0.885 175.748 174.900 -0.061 0.000 1.403 1339 G CA 1.414 46.435 45.100 -0.131 0.000 0.805 1339 G HN 0.441 nan 8.290 nan 0.000 0.689 1340 S N -1.247 114.459 115.700 0.011 0.000 2.564 1340 S HA 0.269 4.722 4.470 -0.029 0.000 0.263 1340 S C 0.096 174.880 174.600 0.307 0.000 1.378 1340 S CA 0.411 58.737 58.200 0.209 0.000 0.996 1340 S CB -0.329 63.187 63.200 0.528 0.000 0.881 1340 S HN 1.382 nan 8.310 nan 0.000 0.555 1341 F N 1.074 121.090 119.950 0.110 0.000 2.183 1341 F HA -0.212 4.298 4.527 -0.029 0.000 0.318 1341 F C 0.762 176.650 175.800 0.147 0.000 1.271 1341 F CA 1.399 59.456 58.000 0.094 0.000 0.912 1341 F CB -0.669 38.358 39.000 0.046 0.000 4.135 1341 F HN 0.958 nan 8.300 nan 0.000 0.137 1342 E N -0.034 120.383 120.200 0.361 0.000 4.120 1342 E HA -0.319 4.014 4.350 -0.029 0.000 0.191 1342 E C 0.371 177.131 176.600 0.267 0.000 1.227 1342 E CA 2.217 58.815 56.400 0.329 0.000 2.327 1342 E CB -1.435 28.505 29.700 0.400 0.000 1.820 1342 E HN 0.438 nan 8.360 nan 0.000 0.383 1343 F N 1.031 121.019 119.950 0.062 0.000 2.435 1343 F HA 0.354 4.864 4.527 -0.029 0.000 0.316 1343 F C 2.338 178.121 175.800 -0.029 0.000 1.220 1343 F CA 1.493 59.516 58.000 0.037 0.000 1.241 1343 F CB -0.005 39.043 39.000 0.080 0.000 1.234 1343 F HN 0.515 nan 8.300 nan 0.000 0.569 1344 G N 0.936 109.811 108.800 0.124 0.000 3.639 1344 G HA2 -0.474 3.468 3.960 -0.029 0.000 0.224 1344 G HA3 -0.474 3.468 3.960 -0.029 0.000 0.224 1344 G C 1.421 176.276 174.900 -0.076 0.000 1.339 1344 G CA 0.887 45.983 45.100 -0.006 0.000 0.933 1344 G HN 0.674 nan 8.290 nan 0.000 0.568 1345 N N -0.102 118.519 118.700 -0.131 0.000 2.381 1345 N HA 0.055 4.777 4.740 -0.029 0.000 0.182 1345 N C 2.050 177.514 175.510 -0.076 0.000 1.025 1345 N CA 1.182 54.118 53.050 -0.190 0.000 0.888 1345 N CB -0.127 38.202 38.487 -0.263 0.000 0.965 1345 N HN 0.488 nan 8.380 nan 0.000 0.438 1346 M N 0.851 120.428 119.600 -0.038 0.000 2.563 1346 M HA 0.082 4.545 4.480 -0.029 0.000 0.231 1346 M C 0.050 176.337 176.300 -0.022 0.000 1.136 1346 M CA 0.650 55.917 55.300 -0.055 0.000 1.026 1346 M CB 0.230 32.739 32.600 -0.152 0.000 1.597 1346 M HN -0.125 nan 8.290 nan 0.000 0.495 1347 K N -2.698 117.693 120.400 -0.014 0.000 3.529 1347 K HA -0.240 4.063 4.320 -0.029 0.000 0.313 1347 K C 0.681 177.310 176.600 0.048 0.000 1.316 1347 K CA 0.960 57.250 56.287 0.004 0.000 0.988 1347 K CB -2.363 30.140 32.500 0.005 0.000 1.252 1347 K HN 0.536 nan 8.250 nan 0.000 0.438 1348 A N 0.221 123.093 122.820 0.087 0.000 2.070 1348 A HA 0.109 4.412 4.320 -0.029 0.000 0.221 1348 A C 1.710 179.359 177.584 0.108 0.000 1.603 1348 A CA 1.889 54.053 52.037 0.211 0.000 0.639 1348 A CB -0.713 18.530 19.000 0.405 0.000 1.235 1348 A HN 0.294 nan 8.150 nan 0.000 0.518 1349 T N -0.313 114.179 114.554 -0.103 0.000 1.711 1349 T HA -0.280 4.053 4.350 -0.029 0.000 0.114 1349 T C 0.972 175.461 174.700 -0.352 0.000 1.880 1349 T CA 3.588 65.353 62.100 -0.559 0.000 0.833 1349 T CB -1.346 67.398 68.868 -0.207 0.000 0.785 1349 T HN 2.050 nan 8.240 nan 0.000 0.398 1350 S N -0.011 115.604 115.700 -0.141 0.000 2.636 1350 S HA 0.413 4.866 4.470 -0.029 0.000 0.277 1350 S C -1.719 172.864 174.600 -0.030 0.000 1.154 1350 S CA -0.161 58.011 58.200 -0.046 0.000 1.069 1350 S CB 1.411 64.588 63.200 -0.038 0.000 1.226 1350 S HN 0.887 nan 8.310 nan 0.000 0.457 1351 N N 1.169 119.869 118.700 0.000 0.000 2.621 1351 N HA 0.457 5.180 4.740 -0.029 0.000 0.271 1351 N C -0.714 174.829 175.510 0.055 0.000 1.181 1351 N CA 0.222 53.280 53.050 0.013 0.000 0.805 1351 N CB 1.576 40.064 38.487 0.002 0.000 1.351 1351 N HN 0.921 nan 8.380 nan 0.000 0.539 1352 T N 0.950 115.554 114.554 0.082 0.000 2.855 1352 T HA 0.341 4.674 4.350 -0.029 0.000 0.322 1352 T C 0.351 175.166 174.700 0.192 0.000 1.088 1352 T CA -0.229 61.987 62.100 0.194 0.000 1.104 1352 T CB 0.498 69.493 68.868 0.211 0.000 0.996 1352 T HN 0.739 nan 8.240 nan 0.000 0.549 1353 L N 0.652 122.087 121.223 0.354 0.000 0.589 1353 L HA -0.185 4.138 4.340 -0.029 0.000 0.356 1353 L C 0.925 177.856 176.870 0.102 0.000 1.004 1353 L CA 1.317 56.242 54.840 0.142 0.000 1.223 1353 L CB -1.145 40.903 42.059 -0.018 0.000 0.059 1353 L HN 1.145 nan 8.230 nan 0.000 0.097 1354 E N 1.162 121.378 120.200 0.027 0.000 3.948 1354 E HA -0.370 3.963 4.350 -0.029 0.000 0.200 1354 E C 0.946 177.528 176.600 -0.029 0.000 1.198 1354 E CA 1.690 58.026 56.400 -0.107 0.000 2.232 1354 E CB -0.869 28.773 29.700 -0.096 0.000 1.824 1354 E HN 0.842 nan 8.360 nan 0.000 0.346 1355 E N 0.308 120.543 120.200 0.060 0.000 2.396 1355 E HA -0.088 4.245 4.350 -0.029 0.000 0.200 1355 E C 1.518 178.168 176.600 0.082 0.000 1.023 1355 E CA 1.282 57.741 56.400 0.097 0.000 0.857 1355 E CB -0.133 29.605 29.700 0.063 0.000 0.775 1355 E HN 0.293 nan 8.360 nan 0.000 0.525 1356 F N 0.141 120.087 119.950 -0.007 0.000 2.287 1356 F HA 0.191 4.701 4.527 -0.028 0.000 0.276 1356 F C 2.132 177.914 175.800 -0.031 0.000 1.047 1356 F CA 1.027 59.016 58.000 -0.017 0.000 1.194 1356 F CB -0.501 38.479 39.000 -0.033 0.000 1.118 1356 F HN -0.004 nan 8.300 nan 0.000 0.556 1357 E N -0.834 119.516 120.200 0.250 0.000 2.233 1357 E HA -0.272 4.061 4.350 -0.029 0.000 0.199 1357 E C 1.551 178.191 176.600 0.067 0.000 1.004 1357 E CA 1.567 58.017 56.400 0.084 0.000 0.819 1357 E CB -0.192 29.488 29.700 -0.034 0.000 0.738 1357 E HN 0.606 nan 8.360 nan 0.000 0.478 1358 H N -1.316 117.757 119.070 0.004 0.000 3.144 1358 H HA 0.149 4.688 4.556 -0.029 0.000 0.319 1358 H C 0.638 175.918 175.328 -0.081 0.000 1.080 1358 H CA 0.254 56.276 56.048 -0.043 0.000 1.433 1358 H CB -0.013 29.734 29.762 -0.025 0.000 1.687 1358 H HN 0.136 nan 8.280 nan 0.000 0.879 1359 G N 0.355 109.212 108.800 0.095 0.000 2.922 1359 G HA2 0.219 4.162 3.960 -0.029 0.000 0.335 1359 G HA3 0.219 4.162 3.960 -0.029 0.000 0.335 1359 G C -0.091 174.792 174.900 -0.028 0.000 1.016 1359 G CA -0.403 44.713 45.100 0.027 0.000 1.306 1359 G HN 0.268 nan 8.290 nan 0.000 0.465 1360 R N 0.986 121.424 120.500 -0.104 0.000 2.614 1360 R HA -0.227 4.095 4.340 -0.029 0.000 0.419 1360 R C 1.667 177.776 176.300 -0.319 0.000 0.461 1360 R CA 1.797 57.745 56.100 -0.252 0.000 1.531 1360 R CB -1.641 28.557 30.300 -0.170 0.000 0.512 1360 R HN 1.196 nan 8.270 nan 0.000 0.597 1361 T N -2.542 111.868 114.554 -0.240 0.000 0.551 1361 T HA -0.130 4.203 4.350 -0.029 0.000 0.772 1361 T C -1.581 172.984 174.700 -0.226 0.000 0.992 1361 T CA 0.324 62.325 62.100 -0.166 0.000 4.070 1361 T CB -0.249 68.599 68.868 -0.033 0.000 2.299 1361 T HN 0.553 nan 8.240 nan 0.000 0.397 1362 P HA 0.109 nan 4.420 nan 0.000 0.236 1362 P C 1.544 178.829 177.300 -0.024 0.000 1.177 1362 P CA 0.915 63.925 63.100 -0.149 0.000 0.773 1362 P CB -0.171 31.465 31.700 -0.106 0.000 0.878 1363 A N 0.928 123.759 122.820 0.018 0.000 1.832 1363 A HA -0.147 4.156 4.320 -0.029 0.000 0.214 1363 A C 2.030 179.755 177.584 0.236 0.000 1.200 1363 A CA 1.129 53.248 52.037 0.136 0.000 0.610 1363 A CB -1.291 17.791 19.000 0.136 0.000 0.842 1363 A HN 0.095 nan 8.150 nan 0.000 0.444 1364 E N -1.308 118.966 120.200 0.122 0.000 2.407 1364 E HA -0.221 4.111 4.350 -0.029 0.000 0.321 1364 E C 1.070 177.704 176.600 0.057 0.000 0.845 1364 E CA 1.359 57.783 56.400 0.041 0.000 1.789 1364 E CB -0.280 29.404 29.700 -0.025 0.000 0.811 1364 E HN 0.469 nan 8.360 nan 0.000 0.585 1365 M N -1.280 118.321 119.600 0.002 0.000 2.777 1365 M HA -0.284 4.178 4.480 -0.029 0.000 0.140 1365 M C 0.362 176.693 176.300 0.051 0.000 0.705 1365 M CA 0.908 56.222 55.300 0.023 0.000 0.526 1365 M CB -1.234 31.383 32.600 0.029 0.000 1.950 1365 M HN 0.127 nan 8.290 nan 0.000 0.280 1366 S N 0.693 116.428 115.700 0.058 0.000 2.652 1366 S HA 0.546 4.999 4.470 -0.029 0.000 0.252 1366 S C -0.304 174.168 174.600 -0.213 0.000 1.219 1366 S CA -0.828 57.428 58.200 0.092 0.000 1.151 1366 S CB 0.628 64.070 63.200 0.404 0.000 1.080 1366 S HN 0.386 nan 8.310 nan 0.000 0.481 1367 R N 2.793 123.160 120.500 -0.223 0.000 2.644 1367 R HA 0.326 4.648 4.340 -0.029 0.000 0.271 1367 R C -3.178 172.946 176.300 -0.294 0.000 1.687 1367 R CA -1.947 53.940 56.100 -0.354 0.000 1.655 1367 R CB 0.240 30.352 30.300 -0.314 0.000 1.285 1367 R HN 0.254 nan 8.270 nan 0.000 0.643 1368 P HA -0.139 nan 4.420 nan 0.000 0.253 1368 P C -0.125 176.813 177.300 -0.602 0.000 1.159 1368 P CA 1.312 64.120 63.100 -0.486 0.000 0.779 1368 P CB 0.416 31.688 31.700 -0.713 0.000 0.745 1369 A N 3.609 126.148 122.820 -0.469 0.000 2.423 1369 A HA 0.017 4.320 4.320 -0.029 0.000 0.682 1369 A C 0.896 178.295 177.584 -0.309 0.000 0.145 1369 A CA 0.771 52.541 52.037 -0.445 0.000 0.058 1369 A CB -1.964 16.573 19.000 -0.773 0.000 3.950 1369 A HN 0.818 nan 8.150 nan 0.000 0.545 1370 T N -1.792 112.642 114.554 -0.200 0.000 5.063 1370 T HA 0.277 4.610 4.350 -0.029 0.000 0.304 1370 T C 1.388 176.028 174.700 -0.099 0.000 1.004 1370 T CA 1.037 63.054 62.100 -0.139 0.000 0.503 1370 T CB -1.319 67.456 68.868 -0.155 0.000 0.746 1370 T HN 2.603 nan 8.240 nan 0.000 0.503 1371 T N 1.110 115.610 114.554 -0.091 0.000 13.163 1371 T HA -0.272 4.060 4.350 -0.029 0.000 0.413 1371 T C 1.271 175.936 174.700 -0.059 0.000 1.487 1371 T CA 2.025 64.088 62.100 -0.062 0.000 2.430 1371 T CB -2.176 66.659 68.868 -0.054 0.000 2.746 1371 T HN 0.636 nan 8.240 nan 0.000 0.581 1372 T N 4.074 118.583 114.554 -0.075 0.000 3.155 1372 T HA 0.078 4.411 4.350 -0.029 0.000 0.264 1372 T C 0.801 175.470 174.700 -0.052 0.000 1.160 1372 T CA 1.022 63.082 62.100 -0.066 0.000 1.075 1372 T CB -0.524 68.290 68.868 -0.090 0.000 0.921 1372 T HN 0.841 nan 8.240 nan 0.000 0.533 1373 R N 1.750 122.210 120.500 -0.067 0.000 2.811 1373 R HA 0.286 4.609 4.340 -0.029 0.000 0.265 1373 R C 0.767 177.058 176.300 -0.015 0.000 1.026 1373 R CA 0.028 56.091 56.100 -0.062 0.000 1.142 1373 R CB 0.198 30.447 30.300 -0.085 0.000 1.027 1373 R HN -0.055 nan 8.270 nan 0.000 0.465 1374 N N -1.473 117.234 118.700 0.011 0.000 2.070 1374 N HA 0.141 4.864 4.740 -0.029 0.000 0.284 1374 N C -0.803 174.748 175.510 0.069 0.000 1.046 1374 N CA 0.889 53.962 53.050 0.037 0.000 0.730 1374 N CB 1.513 40.023 38.487 0.039 0.000 1.826 1374 N HN 0.787 nan 8.380 nan 0.000 0.704 1375 G N 0.311 109.169 108.800 0.096 0.000 2.355 1375 G HA2 0.324 4.267 3.960 -0.029 0.000 0.296 1375 G HA3 0.324 4.267 3.960 -0.029 0.000 0.296 1375 G C -0.212 174.825 174.900 0.228 0.000 1.507 1375 G CA -0.268 44.945 45.100 0.188 0.000 0.823 1375 G HN 0.054 nan 8.290 nan 0.000 0.569 1376 F N -0.490 119.506 119.950 0.077 0.000 2.153 1376 F HA 0.746 5.256 4.527 -0.029 0.000 0.276 1376 F C 1.238 177.094 175.800 0.093 0.000 1.340 1376 F CA 0.634 58.685 58.000 0.085 0.000 1.094 1376 F CB -0.404 38.652 39.000 0.092 0.000 0.964 1376 F HN 1.062 nan 8.300 nan 0.000 0.522 1377 M N -0.774 118.841 119.600 0.025 0.000 2.900 1377 M HA 0.063 4.526 4.480 -0.029 0.000 0.095 1377 M C -0.793 175.548 176.300 0.068 0.000 0.874 1377 M CA -0.418 54.815 55.300 -0.111 0.000 0.642 1377 M CB -1.154 31.417 32.600 -0.049 0.000 2.786 1377 M HN 0.643 nan 8.290 nan 0.000 0.230 1378 E N 1.582 121.872 120.200 0.150 0.000 2.556 1378 E HA 0.384 4.717 4.350 -0.029 0.000 0.273 1378 E C -0.384 176.216 176.600 -0.001 0.000 1.123 1378 E CA 0.922 57.451 56.400 0.216 0.000 1.033 1378 E CB 0.480 30.284 29.700 0.172 0.000 1.025 1378 E HN 0.890 nan 8.360 nan 0.000 0.465 1379 A N 1.172 124.061 122.820 0.116 0.000 2.485 1379 A HA 0.272 4.575 4.320 -0.029 0.000 0.292 1379 A C 0.705 178.350 177.584 0.102 0.000 1.147 1379 A CA -0.195 51.903 52.037 0.101 0.000 0.750 1379 A CB 1.477 20.655 19.000 0.297 0.000 1.331 1379 A HN 0.629 nan 8.150 nan 0.000 0.419 1380 Q N 0.388 120.384 119.800 0.327 0.000 1.858 1380 Q HA 0.257 4.580 4.340 -0.029 0.000 0.240 1380 Q C 0.962 176.778 176.000 -0.308 0.000 1.014 1380 Q CA 2.761 58.592 55.803 0.045 0.000 0.884 1380 Q CB -0.580 27.953 28.738 -0.342 0.000 0.957 1380 Q HN 2.450 nan 8.270 nan 0.000 0.419 1381 G N -1.704 106.870 108.800 -0.376 0.000 2.777 1381 G HA2 0.368 4.311 3.960 -0.029 0.000 0.686 1381 G HA3 0.368 4.311 3.960 -0.029 0.000 0.686 1381 G C -0.929 173.625 174.900 -0.577 0.000 1.177 1381 G CA -0.239 44.453 45.100 -0.679 0.000 0.775 1381 G HN 1.248 nan 8.290 nan 0.000 0.613 1382 A N 0.080 122.705 122.820 -0.325 0.000 2.436 1382 A HA 0.914 5.216 4.320 -0.029 0.000 0.295 1382 A C 0.069 177.839 177.584 0.310 0.000 0.971 1382 A CA 0.651 52.689 52.037 0.001 0.000 0.803 1382 A CB 0.358 19.394 19.000 0.059 0.000 1.045 1382 A HN 2.951 nan 8.150 nan 0.000 0.363 1383 G N 0.329 109.308 108.800 0.297 0.000 2.759 1383 G HA2 0.743 4.686 3.960 -0.029 0.000 0.297 1383 G HA3 0.743 4.686 3.960 -0.029 0.000 0.297 1383 G C -1.692 173.376 174.900 0.280 0.000 1.434 1383 G CA -0.349 44.981 45.100 0.385 0.000 0.980 1383 G HN 1.528 nan 8.290 nan 0.000 0.531 1384 I N -0.410 120.297 120.570 0.228 0.000 3.042 1384 I HA 0.715 4.868 4.170 -0.029 0.000 0.310 1384 I C -0.881 175.356 176.117 0.200 0.000 1.117 1384 I CA -1.017 60.404 61.300 0.201 0.000 1.003 1384 I CB 2.481 40.586 38.000 0.174 0.000 1.228 1384 I HN 0.592 nan 8.210 nan 0.000 0.443 1385 Q N 5.720 125.640 119.800 0.199 0.000 2.309 1385 Q HA 0.612 4.934 4.340 -0.029 0.000 0.273 1385 Q C -1.410 174.712 176.000 0.203 0.000 1.040 1385 Q CA -0.632 55.309 55.803 0.230 0.000 0.834 1385 Q CB 2.809 31.675 28.738 0.214 0.000 1.345 1385 Q HN 0.604 nan 8.270 nan 0.000 0.414 1386 I N 0.141 120.856 120.570 0.241 0.000 2.354 1386 I HA 0.673 4.826 4.170 -0.029 0.000 0.292 1386 I C -0.586 175.632 176.117 0.168 0.000 0.989 1386 I CA -1.196 60.248 61.300 0.240 0.000 1.188 1386 I CB 0.499 38.720 38.000 0.368 0.000 1.342 1386 I HN 0.478 nan 8.210 nan 0.000 0.457 1387 I N 3.939 124.578 120.570 0.114 0.000 2.846 1387 I HA 0.729 4.882 4.170 -0.029 0.000 0.307 1387 I C -0.564 175.575 176.117 0.036 0.000 1.053 1387 I CA -1.277 60.066 61.300 0.072 0.000 1.050 1387 I CB 1.897 39.929 38.000 0.055 0.000 1.239 1387 I HN 0.634 nan 8.210 nan 0.000 0.439 1388 M N 1.912 121.524 119.600 0.019 0.000 2.631 1388 M HA 0.394 4.857 4.480 -0.029 0.000 0.288 1388 M C 0.282 176.578 176.300 -0.008 0.000 1.260 1388 M CA -0.546 54.752 55.300 -0.003 0.000 0.842 1388 M CB 2.185 34.785 32.600 -0.001 0.000 1.743 1388 M HN 0.818 nan 8.290 nan 0.000 0.461 1389 Q N 0.951 120.744 119.800 -0.010 0.000 2.594 1389 Q HA 0.036 4.359 4.340 -0.029 0.000 0.219 1389 Q C 0.762 176.744 176.000 -0.030 0.000 0.980 1389 Q CA 1.183 56.978 55.803 -0.013 0.000 0.962 1389 Q CB -0.089 28.648 28.738 -0.003 0.000 0.987 1389 Q HN 0.841 nan 8.270 nan 0.000 0.553 1390 A N -0.560 122.235 122.820 -0.041 0.000 1.266 1390 A HA -0.426 3.877 4.320 -0.029 0.000 0.297 1390 A C 1.111 178.642 177.584 -0.088 0.000 1.787 1390 A CA 1.463 53.450 52.037 -0.084 0.000 1.093 1390 A CB -2.175 16.763 19.000 -0.102 0.000 1.471 1390 A HN 0.625 nan 8.150 nan 0.000 0.723 1391 D N 0.869 121.223 120.400 -0.076 0.000 2.137 1391 D HA -0.165 4.458 4.640 -0.029 0.000 0.189 1391 D C 1.745 178.017 176.300 -0.047 0.000 0.998 1391 D CA 1.814 55.770 54.000 -0.074 0.000 0.839 1391 D CB -0.298 40.467 40.800 -0.058 0.000 0.962 1391 D HN 0.453 nan 8.370 nan 0.000 0.446 1392 L N 0.273 121.496 121.223 0.001 0.000 2.283 1392 L HA -0.207 4.116 4.340 -0.029 0.000 0.217 1392 L C 2.111 179.062 176.870 0.135 0.000 1.104 1392 L CA 1.443 56.331 54.840 0.079 0.000 0.772 1392 L CB -1.721 40.433 42.059 0.158 0.000 0.899 1392 L HN 0.074 nan 8.230 nan 0.000 0.439 1393 A N 0.102 122.958 122.820 0.059 0.000 1.865 1393 A HA -0.018 4.284 4.320 -0.029 0.000 0.216 1393 A C 2.224 179.872 177.584 0.106 0.000 1.315 1393 A CA 0.460 52.547 52.037 0.083 0.000 0.605 1393 A CB -0.794 18.207 19.000 0.001 0.000 0.984 1393 A HN 0.282 nan 8.150 nan 0.000 0.470 1394 L N -0.137 121.048 121.223 -0.063 0.000 2.270 1394 L HA -0.144 4.179 4.340 -0.029 0.000 0.217 1394 L C 1.137 178.050 176.870 0.072 0.000 1.107 1394 L CA 1.098 55.845 54.840 -0.155 0.000 0.772 1394 L CB -0.528 41.284 42.059 -0.412 0.000 0.902 1394 L HN 0.261 nan 8.230 nan 0.000 0.439 1395 K N 1.393 121.790 120.400 -0.005 0.000 2.262 1395 K HA 0.286 4.589 4.320 -0.029 0.000 0.288 1395 K C -0.310 176.244 176.600 -0.078 0.000 1.090 1395 K CA 0.027 56.261 56.287 -0.089 0.000 0.918 1395 K CB -0.108 32.271 32.500 -0.202 0.000 1.139 1395 K HN 0.018 nan 8.250 nan 0.000 0.462 1396 M N 2.923 122.518 119.600 -0.008 0.000 4.042 1396 M HA -0.176 4.287 4.480 -0.029 0.000 0.157 1396 M C 0.467 176.866 176.300 0.165 0.000 1.531 1396 M CA 0.885 56.222 55.300 0.061 0.000 1.096 1396 M CB -1.200 31.429 32.600 0.049 0.000 1.346 1396 M HN 0.986 nan 8.290 nan 0.000 0.196 1397 G N 2.609 111.446 108.800 0.062 0.000 2.942 1397 G HA2 0.031 3.974 3.960 -0.029 0.000 0.290 1397 G HA3 0.031 3.974 3.960 -0.029 0.000 0.290 1397 G C 0.534 175.483 174.900 0.081 0.000 0.295 1397 G CA 0.248 45.334 45.100 -0.022 0.000 1.201 1397 G HN 1.052 nan 8.290 nan 0.000 0.204 1398 V N 4.619 124.594 119.914 0.102 0.000 2.868 1398 V HA 0.485 4.588 4.120 -0.029 0.000 0.227 1398 V C -1.467 174.627 176.094 -0.000 0.000 1.136 1398 V CA 1.009 63.365 62.300 0.092 0.000 1.206 1398 V CB 0.852 32.761 31.823 0.143 0.000 0.997 1398 V HN 0.744 nan 8.190 nan 0.000 0.505 1399 P HA 0.365 nan 4.420 nan 0.000 0.285 1399 P C -0.941 176.231 177.300 -0.213 0.000 1.280 1399 P CA -0.539 62.514 63.100 -0.079 0.000 0.862 1399 P CB 1.508 33.083 31.700 -0.208 0.000 1.153 1400 I N -1.021 119.489 120.570 -0.101 0.000 2.342 1400 I HA 0.321 4.473 4.170 -0.029 0.000 0.291 1400 I C 0.317 176.273 176.117 -0.267 0.000 1.010 1400 I CA -0.648 60.550 61.300 -0.170 0.000 1.308 1400 I CB 0.346 38.274 38.000 -0.120 0.000 1.400 1400 I HN 0.236 nan 8.210 nan 0.000 0.488 1401 Y N 5.210 125.466 120.300 -0.073 0.000 2.976 1401 Y HA 0.445 4.977 4.550 -0.029 0.000 0.214 1401 Y C 1.890 177.682 175.900 -0.181 0.000 0.927 1401 Y CA 0.882 58.897 58.100 -0.142 0.000 1.000 1401 Y CB -0.875 37.427 38.460 -0.262 0.000 1.069 1401 Y HN 0.656 nan 8.280 nan 0.000 0.462 1402 G N 0.099 108.898 108.800 -0.002 0.000 2.588 1402 G HA2 0.413 4.356 3.960 -0.029 0.000 0.281 1402 G HA3 0.413 4.356 3.960 -0.029 0.000 0.281 1402 G C -1.307 173.555 174.900 -0.063 0.000 1.236 1402 G CA -0.449 44.602 45.100 -0.083 0.000 0.969 1402 G HN 0.427 nan 8.290 nan 0.000 0.504 1403 I N 0.320 120.860 120.570 -0.050 0.000 2.476 1403 I HA 0.366 4.519 4.170 -0.029 0.000 0.281 1403 I C -0.291 175.841 176.117 0.024 0.000 1.040 1403 I CA -0.792 60.502 61.300 -0.009 0.000 1.094 1403 I CB 1.457 39.466 38.000 0.014 0.000 1.219 1403 I HN 0.239 nan 8.210 nan 0.000 0.450 1404 V N 7.883 127.808 119.914 0.019 0.000 2.681 1404 V HA 0.014 4.117 4.120 -0.029 0.000 0.306 1404 V C 1.046 177.167 176.094 0.044 0.000 1.077 1404 V CA 1.287 63.600 62.300 0.023 0.000 1.224 1404 V CB 0.346 32.181 31.823 0.021 0.000 0.879 1404 V HN 0.970 nan 8.190 nan 0.000 0.494 1405 A N 5.433 128.267 122.820 0.024 0.000 2.213 1405 A HA 0.540 4.842 4.320 -0.029 0.000 0.220 1405 A C 0.641 178.241 177.584 0.027 0.000 2.232 1405 A CA 0.015 52.065 52.037 0.023 0.000 1.017 1405 A CB -0.151 18.842 19.000 -0.012 0.000 1.372 1405 A HN 0.651 nan 8.150 nan 0.000 0.614 1406 M N 0.064 119.669 119.600 0.008 0.000 2.291 1406 M HA 0.638 5.101 4.480 -0.029 0.000 0.324 1406 M C -0.344 175.959 176.300 0.003 0.000 1.148 1406 M CA -0.024 55.282 55.300 0.011 0.000 1.104 1406 M CB 1.404 33.999 32.600 -0.008 0.000 1.483 1406 M HN 0.478 nan 8.290 nan 0.000 0.467 1407 A N 3.928 126.751 122.820 0.005 0.000 3.204 1407 A HA 0.715 5.018 4.320 -0.029 0.000 0.327 1407 A C 0.669 178.245 177.584 -0.013 0.000 0.998 1407 A CA -0.163 51.872 52.037 -0.003 0.000 0.891 1407 A CB -1.057 17.947 19.000 0.005 0.000 1.061 1407 A HN 1.391 nan 8.150 nan 0.000 0.478 1408 A N 0.618 123.422 122.820 -0.028 0.000 4.723 1408 A HA 0.013 4.316 4.320 -0.029 0.000 1.014 1408 A C 1.272 178.838 177.584 -0.030 0.000 1.486 1408 A CA 1.858 53.871 52.037 -0.041 0.000 3.419 1408 A CB -1.540 17.423 19.000 -0.061 0.000 1.716 1408 A HN 2.411 nan 8.150 nan 0.000 1.042 1409 T N -2.598 111.936 114.554 -0.033 0.000 1.969 1409 T HA 0.398 4.731 4.350 -0.029 0.000 0.592 1409 T C -0.472 174.220 174.700 -0.013 0.000 0.903 1409 T CA 1.214 63.302 62.100 -0.020 0.000 3.149 1409 T CB -1.802 67.058 68.868 -0.014 0.000 1.870 1409 T HN 2.652 nan 8.240 nan 0.000 0.458 1410 A N 3.801 126.619 122.820 -0.003 0.000 2.540 1410 A HA 0.829 5.132 4.320 -0.029 0.000 0.297 1410 A C 0.664 178.260 177.584 0.020 0.000 1.056 1410 A CA 0.478 52.519 52.037 0.007 0.000 0.700 1410 A CB 1.320 20.327 19.000 0.012 0.000 1.280 1410 A HN 1.365 nan 8.150 nan 0.000 0.398 1411 T N -0.735 113.827 114.554 0.013 0.000 3.608 1411 T HA 0.528 4.860 4.350 -0.029 0.000 0.213 1411 T C -0.058 174.648 174.700 0.010 0.000 0.897 1411 T CA 1.221 63.329 62.100 0.014 0.000 1.533 1411 T CB -0.603 68.271 68.868 0.009 0.000 1.504 1411 T HN 1.136 nan 8.240 nan 0.000 0.446 1412 D N 0.760 121.162 120.400 0.004 0.000 10.770 1412 D HA 0.084 4.706 4.640 -0.029 0.000 0.340 1412 D C -0.387 175.908 176.300 -0.007 0.000 3.132 1412 D CA 1.023 55.023 54.000 -0.001 0.000 2.696 1412 D CB -0.544 40.257 40.800 0.002 0.000 1.209 1412 D HN 1.046 nan 8.370 nan 0.000 0.941 1413 K N -0.798 119.598 120.400 -0.007 0.000 2.929 1413 K HA -0.163 4.140 4.320 -0.029 0.000 0.841 1413 K C -1.372 175.224 176.600 -0.007 0.000 2.475 1413 K CA 0.402 56.683 56.287 -0.010 0.000 1.503 1413 K CB -0.270 32.219 32.500 -0.019 0.000 2.737 1413 K HN 0.543 nan 8.250 nan 0.000 0.174 1414 I N 2.378 122.944 120.570 -0.007 0.000 2.521 1414 I HA 0.359 4.512 4.170 -0.029 0.000 0.277 1414 I C 0.569 176.683 176.117 -0.006 0.000 1.054 1414 I CA -0.205 61.092 61.300 -0.004 0.000 1.117 1414 I CB 1.319 39.318 38.000 -0.002 0.000 1.217 1414 I HN 0.684 nan 8.210 nan 0.000 0.469 1415 G N 4.280 113.076 108.800 -0.006 0.000 3.209 1415 G HA2 0.631 4.574 3.960 -0.029 0.000 0.236 1415 G HA3 0.631 4.574 3.960 -0.029 0.000 0.236 1415 G C -0.510 174.389 174.900 -0.002 0.000 1.329 1415 G CA -0.569 44.527 45.100 -0.006 0.000 1.015 1415 G HN 0.481 nan 8.290 nan 0.000 0.571 1416 R N 0.152 120.652 120.500 -0.001 0.000 2.638 1416 R HA 0.462 4.785 4.340 -0.029 0.000 0.261 1416 R C -0.919 175.384 176.300 0.004 0.000 1.515 1416 R CA 0.052 56.153 56.100 0.002 0.000 1.623 1416 R CB 0.450 30.751 30.300 0.001 0.000 1.347 1416 R HN 0.859 nan 8.270 nan 0.000 0.705 1417 S N -1.379 114.325 115.700 0.007 0.000 2.683 1417 S HA 0.430 4.883 4.470 -0.029 0.000 0.278 1417 S C -1.394 173.221 174.600 0.025 0.000 1.059 1417 S CA -0.876 57.331 58.200 0.013 0.000 0.847 1417 S CB 1.851 65.057 63.200 0.009 0.000 1.078 1417 S HN -0.031 nan 8.310 nan 0.000 0.456 1418 V N 1.367 121.306 119.914 0.042 0.000 2.891 1418 V HA 0.669 4.772 4.120 -0.029 0.000 0.304 1418 V C -1.869 174.311 176.094 0.143 0.000 1.171 1418 V CA -1.142 61.209 62.300 0.084 0.000 0.943 1418 V CB 1.402 33.279 31.823 0.090 0.000 1.037 1418 V HN 1.045 nan 8.190 nan 0.000 0.427 1419 P HA 0.532 nan 4.420 nan 0.000 0.330 1419 P C -0.055 177.267 177.300 0.037 0.000 1.377 1419 P CA 0.596 63.789 63.100 0.156 0.000 0.793 1419 P CB 0.631 32.372 31.700 0.068 0.000 1.813 1420 A N -3.092 119.706 122.820 -0.038 0.000 1.944 1420 A HA 0.224 4.526 4.320 -0.029 0.000 0.232 1420 A C -2.602 174.889 177.584 -0.155 0.000 2.873 1420 A CA -0.785 51.209 52.037 -0.072 0.000 2.077 1420 A CB -2.342 16.631 19.000 -0.045 0.000 0.244 1420 A HN 0.321 nan 8.150 nan 0.000 0.914 1421 P HA -0.000 nan 4.420 nan 0.000 0.244 1421 P C 0.995 177.978 177.300 -0.529 0.000 1.080 1421 P CA 2.028 64.856 63.100 -0.453 0.000 0.794 1421 P CB 0.162 31.587 31.700 -0.459 0.000 0.689 1422 G N 3.541 112.062 108.800 -0.465 0.000 2.255 1422 G HA2 -0.052 3.891 3.960 -0.029 0.000 0.267 1422 G HA3 -0.052 3.891 3.960 -0.029 0.000 0.267 1422 G C 0.753 175.420 174.900 -0.388 0.000 1.177 1422 G CA -0.371 44.551 45.100 -0.297 0.000 1.027 1422 G HN 0.483 nan 8.290 nan 0.000 0.437 1423 K N 2.249 122.500 120.400 -0.248 0.000 2.046 1423 K HA 0.065 4.368 4.320 -0.029 0.000 0.197 1423 K C 2.429 179.003 176.600 -0.044 0.000 1.038 1423 K CA 0.858 57.051 56.287 -0.158 0.000 1.022 1423 K CB -0.485 31.959 32.500 -0.093 0.000 1.283 1423 K HN 0.361 nan 8.250 nan 0.000 0.496 1424 G N 0.946 109.737 108.800 -0.015 0.000 2.535 1424 G HA2 -0.080 3.863 3.960 -0.029 0.000 0.218 1424 G HA3 -0.080 3.863 3.960 -0.029 0.000 0.218 1424 G C 0.753 175.661 174.900 0.013 0.000 1.122 1424 G CA 0.150 45.260 45.100 0.016 0.000 0.769 1424 G HN 0.411 nan 8.290 nan 0.000 0.549 1425 I N 1.777 122.336 120.570 -0.017 0.000 3.166 1425 I HA 0.119 4.271 4.170 -0.029 0.000 0.322 1425 I C 0.684 176.808 176.117 0.013 0.000 0.920 1425 I CA 0.624 61.912 61.300 -0.021 0.000 1.906 1425 I CB -2.669 35.293 38.000 -0.064 0.000 1.255 1425 I HN 0.356 nan 8.210 nan 0.000 0.887 1426 L N -1.971 119.277 121.223 0.041 0.000 3.065 1426 L HA 0.014 4.337 4.340 -0.029 0.000 0.221 1426 L C 0.800 177.722 176.870 0.086 0.000 0.971 1426 L CA 0.183 55.061 54.840 0.063 0.000 1.083 1426 L CB -0.938 41.175 42.059 0.090 0.000 1.466 1426 L HN 0.126 nan 8.230 nan 0.000 0.392 1427 T N -4.860 109.733 114.554 0.065 0.000 11.558 1427 T HA -0.417 3.916 4.350 -0.029 0.000 0.419 1427 T C 1.221 175.953 174.700 0.052 0.000 1.442 1427 T CA 2.596 64.724 62.100 0.046 0.000 2.408 1427 T CB -2.542 66.358 68.868 0.053 0.000 2.890 1427 T HN 1.444 nan 8.240 nan 0.000 0.961 1428 T N 1.853 116.450 114.554 0.071 0.000 3.160 1428 T HA 0.514 4.847 4.350 -0.029 0.000 0.257 1428 T C 2.126 176.869 174.700 0.071 0.000 1.147 1428 T CA 0.981 63.121 62.100 0.068 0.000 1.064 1428 T CB -0.472 68.431 68.868 0.058 0.000 0.949 1428 T HN 0.866 nan 8.240 nan 0.000 0.526 1429 A N 1.572 124.426 122.820 0.056 0.000 1.930 1429 A HA 0.103 4.406 4.320 -0.029 0.000 0.215 1429 A C 1.611 179.217 177.584 0.037 0.000 1.176 1429 A CA 0.450 52.512 52.037 0.040 0.000 0.632 1429 A CB -0.129 18.877 19.000 0.011 0.000 0.819 1429 A HN 0.465 nan 8.150 nan 0.000 0.445 1430 R N -0.933 119.588 120.500 0.035 0.000 2.571 1430 R HA 0.166 4.489 4.340 -0.029 0.000 0.259 1430 R C 0.115 176.473 176.300 0.095 0.000 1.226 1430 R CA 0.323 56.446 56.100 0.039 0.000 1.157 1430 R CB 0.182 30.492 30.300 0.015 0.000 1.220 1430 R HN 0.171 nan 8.270 nan 0.000 0.605 1431 E N 0.014 120.274 120.200 0.100 0.000 2.971 1431 E HA -0.263 4.070 4.350 -0.029 0.000 0.278 1431 E C 0.146 176.880 176.600 0.223 0.000 1.009 1431 E CA 1.104 57.573 56.400 0.115 0.000 0.862 1431 E CB -1.492 28.258 29.700 0.084 0.000 1.436 1431 E HN 0.792 nan 8.360 nan 0.000 0.434 1432 H N 0.658 119.789 119.070 0.103 0.000 3.577 1432 H HA -0.078 4.461 4.556 -0.029 0.000 0.298 1432 H C 0.813 176.289 175.328 0.247 0.000 0.982 1432 H CA 2.666 58.789 56.048 0.125 0.000 0.971 1432 H CB -0.159 29.651 29.762 0.081 0.000 1.750 1432 H HN 0.545 nan 8.280 nan 0.000 1.079 1433 H N -1.200 117.884 119.070 0.024 0.000 4.198 1433 H HA -0.172 4.366 4.556 -0.029 0.000 0.264 1433 H C -0.105 175.167 175.328 -0.094 0.000 0.612 1433 H CA 0.680 56.682 56.048 -0.076 0.000 0.737 1433 H CB -0.554 29.149 29.762 -0.099 0.000 1.170 1433 H HN 0.482 nan 8.280 nan 0.000 0.303 1434 S N 1.046 116.583 115.700 -0.272 0.000 2.677 1434 S HA 0.690 5.143 4.470 -0.029 0.000 0.290 1434 S C 0.280 174.827 174.600 -0.089 0.000 1.124 1434 S CA 0.413 58.540 58.200 -0.122 0.000 1.017 1434 S CB 1.569 64.659 63.200 -0.184 0.000 1.215 1434 S HN 0.638 nan 8.310 nan 0.000 0.524 1435 S N -0.139 115.505 115.700 -0.093 0.000 2.946 1435 S HA 0.113 4.565 4.470 -0.029 0.000 0.194 1435 S C -1.315 173.243 174.600 -0.070 0.000 0.773 1435 S CA -0.445 57.661 58.200 -0.157 0.000 1.082 1435 S CB 0.156 63.289 63.200 -0.112 0.000 1.393 1435 S HN 0.544 nan 8.310 nan 0.000 0.551 1436 V N 3.700 123.588 119.914 -0.044 0.000 2.393 1436 V HA 0.215 4.318 4.120 -0.029 0.000 0.257 1436 V C 0.730 176.856 176.094 0.054 0.000 1.040 1436 V CA -0.101 62.204 62.300 0.007 0.000 1.097 1436 V CB -0.343 31.479 31.823 -0.002 0.000 1.101 1436 V HN 0.574 nan 8.190 nan 0.000 0.479 1437 K N 4.636 125.097 120.400 0.101 0.000 5.292 1437 K HA -0.262 4.041 4.320 -0.029 0.000 0.616 1437 K C 0.085 176.845 176.600 0.267 0.000 2.155 1437 K CA 1.811 58.202 56.287 0.173 0.000 1.564 1437 K CB -0.078 32.480 32.500 0.097 0.000 1.855 1437 K HN 0.988 nan 8.250 nan 0.000 0.268 1438 Y N 1.253 121.553 120.300 0.000 0.000 2.855 1438 Y HA 0.313 4.845 4.550 -0.029 0.000 0.251 1438 Y C 1.300 177.200 175.900 0.000 0.000 1.152 1438 Y CA 1.025 59.123 58.100 -0.003 0.000 1.201 1438 Y CB -0.732 37.724 38.460 -0.007 0.000 1.392 1438 Y HN 0.861 nan 8.280 nan 0.000 0.470 1439 A N 1.052 123.328 122.820 -0.906 0.000 1.345 1439 A HA -0.281 4.021 4.320 -0.029 0.000 0.222 1439 A C 0.789 177.977 177.584 -0.660 0.000 0.343 1439 A CA 2.203 53.822 52.037 -0.698 0.000 1.095 1439 A CB -2.315 16.524 19.000 -0.269 0.000 1.469 1439 A HN 0.853 nan 8.150 nan 0.000 0.722 1440 S N 1.166 116.641 115.700 -0.375 0.000 2.659 1440 S HA 0.682 5.135 4.470 -0.029 0.000 0.312 1440 S C -1.587 172.971 174.600 -0.069 0.000 1.114 1440 S CA -0.200 57.885 58.200 -0.192 0.000 1.063 1440 S CB 2.674 65.813 63.200 -0.103 0.000 0.996 1440 S HN 0.822 nan 8.310 nan 0.000 0.478 1441 P HA 0.569 nan 4.420 nan 0.000 0.300 1441 P C -1.344 175.996 177.300 0.065 0.000 1.234 1441 P CA -0.396 62.764 63.100 0.099 0.000 0.763 1441 P CB 0.677 32.526 31.700 0.249 0.000 1.921 1442 N N -1.551 117.185 118.700 0.060 0.000 4.268 1442 N HA -0.090 4.633 4.740 -0.029 0.000 0.332 1442 N C -0.677 174.832 175.510 -0.002 0.000 2.196 1442 N CA 0.482 53.549 53.050 0.029 0.000 2.816 1442 N CB -1.053 37.465 38.487 0.051 0.000 0.347 1442 N HN 0.599 nan 8.380 nan 0.000 0.618 1443 L N 1.713 122.886 121.223 -0.084 0.000 4.639 1443 L HA 0.175 4.498 4.340 -0.029 0.000 0.462 1443 L C 1.076 177.701 176.870 -0.408 0.000 1.019 1443 L CA -0.066 54.644 54.840 -0.217 0.000 1.733 1443 L CB -0.095 41.855 42.059 -0.181 0.000 1.673 1443 L HN 0.520 nan 8.230 nan 0.000 0.613 1444 N N 0.364 118.878 118.700 -0.310 0.000 2.131 1444 N HA -0.043 4.679 4.740 -0.029 0.000 0.190 1444 N C 0.428 175.798 175.510 -0.233 0.000 1.055 1444 N CA 0.264 53.063 53.050 -0.419 0.000 0.853 1444 N CB -0.113 38.257 38.487 -0.195 0.000 1.035 1444 N HN 0.016 nan 8.380 nan 0.000 0.440 1445 M N 2.835 122.414 119.600 -0.034 0.000 2.472 1445 M HA -0.128 4.335 4.480 -0.029 0.000 0.497 1445 M C -0.463 175.946 176.300 0.183 0.000 1.560 1445 M CA 0.109 55.456 55.300 0.077 0.000 0.894 1445 M CB -0.227 32.429 32.600 0.093 0.000 1.983 1445 M HN 0.033 nan 8.290 nan 0.000 0.521 1446 K N 3.958 124.468 120.400 0.183 0.000 3.048 1446 K HA -0.259 4.044 4.320 -0.029 0.000 0.228 1446 K C 0.459 177.223 176.600 0.273 0.000 1.047 1446 K CA 0.569 57.006 56.287 0.251 0.000 1.305 1446 K CB -1.015 31.579 32.500 0.156 0.000 1.359 1446 K HN 0.626 nan 8.250 nan 0.000 0.392 1447 Y N 1.766 122.185 120.300 0.198 0.000 2.387 1447 Y HA -0.274 4.258 4.550 -0.029 0.000 0.234 1447 Y C 2.208 178.136 175.900 0.046 0.000 1.007 1447 Y CA 2.137 60.307 58.100 0.117 0.000 1.012 1447 Y CB 0.021 38.607 38.460 0.211 0.000 1.017 1447 Y HN 0.557 nan 8.280 nan 0.000 0.486 1448 R N -0.340 120.323 120.500 0.272 0.000 4.002 1448 R HA -0.301 4.022 4.340 -0.029 0.000 0.443 1448 R C 1.443 177.676 176.300 -0.113 0.000 0.770 1448 R CA 2.101 58.229 56.100 0.046 0.000 1.648 1448 R CB -1.649 28.693 30.300 0.071 0.000 2.287 1448 R HN 0.545 nan 8.270 nan 0.000 0.454 1449 K N 0.249 120.556 120.400 -0.155 0.000 1.971 1449 K HA -0.060 4.243 4.320 -0.029 0.000 0.221 1449 K C 1.859 178.276 176.600 -0.306 0.000 1.050 1449 K CA 1.676 57.813 56.287 -0.249 0.000 0.967 1449 K CB -0.286 31.981 32.500 -0.389 0.000 0.733 1449 K HN 0.142 nan 8.250 nan 0.000 0.445 1450 R N 1.222 121.489 120.500 -0.389 0.000 2.226 1450 R HA -0.211 4.112 4.340 -0.029 0.000 0.246 1450 R C 2.312 178.115 176.300 -0.828 0.000 1.161 1450 R CA 1.728 57.493 56.100 -0.558 0.000 0.997 1450 R CB -0.389 29.558 30.300 -0.588 0.000 0.870 1450 R HN 0.451 nan 8.270 nan 0.000 0.465 1451 Q N 0.678 120.061 119.800 -0.694 0.000 1.941 1451 Q HA -0.079 4.244 4.340 -0.029 0.000 0.201 1451 Q C 2.060 177.933 176.000 -0.211 0.000 0.982 1451 Q CA 1.479 57.040 55.803 -0.403 0.000 0.839 1451 Q CB -0.773 27.870 28.738 -0.158 0.000 0.904 1451 Q HN 0.315 nan 8.270 nan 0.000 0.427 1452 L N 0.228 121.356 121.223 -0.158 0.000 2.127 1452 L HA -0.151 4.172 4.340 -0.029 0.000 0.211 1452 L C 1.943 178.748 176.870 -0.107 0.000 1.089 1452 L CA 0.830 55.607 54.840 -0.104 0.000 0.757 1452 L CB -0.201 41.806 42.059 -0.087 0.000 0.899 1452 L HN 0.229 nan 8.230 nan 0.000 0.434 1453 V N -1.278 118.545 119.914 -0.151 0.000 2.277 1453 V HA -0.281 3.821 4.120 -0.029 0.000 0.203 1453 V C 2.152 178.194 176.094 -0.087 0.000 0.984 1453 V CA 1.772 64.001 62.300 -0.118 0.000 1.076 1453 V CB -0.788 30.950 31.823 -0.141 0.000 0.681 1453 V HN 0.485 nan 8.190 nan 0.000 0.468 1454 T N 0.067 114.564 114.554 -0.094 0.000 1.924 1454 T HA -0.297 4.036 4.350 -0.029 0.000 0.152 1454 T C 0.997 175.710 174.700 0.022 0.000 1.902 1454 T CA 2.082 64.182 62.100 -0.001 0.000 1.015 1454 T CB -0.270 68.637 68.868 0.064 0.000 0.843 1454 T HN 0.354 nan 8.240 nan 0.000 0.389 1455 R N 0.949 121.475 120.500 0.044 0.000 2.801 1455 R HA 0.314 4.637 4.340 -0.029 0.000 0.273 1455 R C 1.413 177.704 176.300 -0.016 0.000 1.080 1455 R CA 0.563 56.679 56.100 0.027 0.000 1.197 1455 R CB 0.042 30.373 30.300 0.051 0.000 1.109 1455 R HN 0.671 nan 8.270 nan 0.000 0.535 1456 E N -1.980 118.201 120.200 -0.033 0.000 4.484 1456 E HA -0.280 4.053 4.350 -0.029 0.000 0.162 1456 E C 0.777 177.357 176.600 -0.032 0.000 0.911 1456 E CA 1.721 58.096 56.400 -0.041 0.000 2.591 1456 E CB -1.622 28.050 29.700 -0.045 0.000 1.589 1456 E HN 0.550 nan 8.360 nan 0.000 0.602 1457 A N 1.392 124.200 122.820 -0.020 0.000 3.051 1457 A HA -0.017 4.286 4.320 -0.029 0.000 0.187 1457 A C 1.830 179.426 177.584 0.020 0.000 1.690 1457 A CA 1.421 53.458 52.037 -0.001 0.000 0.677 1457 A CB -0.785 18.218 19.000 0.004 0.000 1.164 1457 A HN 0.254 nan 8.150 nan 0.000 0.473 1458 Q N -0.694 119.138 119.800 0.054 0.000 2.315 1458 Q HA -0.281 4.042 4.340 -0.029 0.000 0.213 1458 Q C 1.923 177.964 176.000 0.068 0.000 0.994 1458 Q CA 2.145 58.015 55.803 0.112 0.000 0.906 1458 Q CB -0.726 28.112 28.738 0.166 0.000 0.918 1458 Q HN 0.804 nan 8.270 nan 0.000 0.427 1459 I N -1.530 119.013 120.570 -0.044 0.000 2.162 1459 I HA -0.183 3.970 4.170 -0.029 0.000 0.238 1459 I C 1.851 177.865 176.117 -0.171 0.000 1.076 1459 I CA 1.444 62.619 61.300 -0.208 0.000 1.353 1459 I CB -0.422 37.465 38.000 -0.189 0.000 1.063 1459 I HN -0.171 nan 8.210 nan 0.000 0.408 1460 K N 0.732 121.077 120.400 -0.091 0.000 2.218 1460 K HA -0.185 4.118 4.320 -0.029 0.000 0.205 1460 K C 1.297 177.881 176.600 -0.027 0.000 1.046 1460 K CA 2.077 58.325 56.287 -0.065 0.000 0.933 1460 K CB -0.425 32.050 32.500 -0.042 0.000 0.728 1460 K HN 0.570 nan 8.250 nan 0.000 0.454 1461 D N -0.094 120.314 120.400 0.013 0.000 2.296 1461 D HA -0.106 4.517 4.640 -0.029 0.000 0.248 1461 D C 0.218 176.616 176.300 0.163 0.000 1.162 1461 D CA 0.130 54.176 54.000 0.078 0.000 0.956 1461 D CB -0.462 40.396 40.800 0.097 0.000 1.011 1461 D HN 0.293 nan 8.370 nan 0.000 0.404 1462 W N 1.812 123.119 121.300 0.012 0.000 2.873 1462 W HA 0.123 4.766 4.660 -0.029 0.000 0.393 1462 W C -0.562 175.966 176.519 0.016 0.000 1.283 1462 W CA -0.466 56.889 57.345 0.015 0.000 1.348 1462 W CB 0.159 29.630 29.460 0.019 0.000 1.475 1462 W HN -0.099 nan 8.180 nan 0.000 0.572 1463 V N 3.358 123.533 119.914 0.436 0.000 6.331 1463 V HA -0.218 3.884 4.120 -0.029 0.000 0.086 1463 V C 1.821 178.041 176.094 0.209 0.000 1.014 1463 V CA 0.726 63.069 62.300 0.072 0.000 0.611 1463 V CB -0.399 31.358 31.823 -0.111 0.000 0.828 1463 V HN 0.518 nan 8.190 nan 0.000 0.727 1464 E N 1.390 121.667 120.200 0.128 0.000 2.086 1464 E HA -0.343 3.989 4.350 -0.029 0.000 0.200 1464 E C 1.649 178.338 176.600 0.148 0.000 1.012 1464 E CA 2.057 58.518 56.400 0.102 0.000 0.812 1464 E CB -0.314 29.429 29.700 0.071 0.000 0.743 1464 E HN 0.678 nan 8.360 nan 0.000 0.453 1465 N N 1.130 119.956 118.700 0.209 0.000 2.049 1465 N HA -0.297 4.425 4.740 -0.029 0.000 0.198 1465 N C 1.762 177.369 175.510 0.161 0.000 1.030 1465 N CA 2.163 55.321 53.050 0.179 0.000 0.870 1465 N CB -0.121 38.496 38.487 0.218 0.000 1.045 1465 N HN 0.147 nan 8.380 nan 0.000 0.434 1466 E N 0.051 120.438 120.200 0.312 0.000 2.006 1466 E HA -0.077 4.255 4.350 -0.029 0.000 0.192 1466 E C 2.101 178.799 176.600 0.163 0.000 0.993 1466 E CA 1.228 57.780 56.400 0.252 0.000 0.808 1466 E CB -0.692 29.344 29.700 0.560 0.000 0.764 1466 E HN 0.447 nan 8.360 nan 0.000 0.449 1467 L N 0.972 122.290 121.223 0.159 0.000 2.125 1467 L HA -0.407 3.916 4.340 -0.029 0.000 0.234 1467 L C 2.765 179.683 176.870 0.080 0.000 1.110 1467 L CA 2.534 57.431 54.840 0.095 0.000 0.832 1467 L CB -0.795 41.305 42.059 0.068 0.000 0.922 1467 L HN 0.448 nan 8.230 nan 0.000 0.449 1468 E N -0.102 120.142 120.200 0.074 0.000 2.017 1468 E HA -0.276 4.057 4.350 -0.029 0.000 0.193 1468 E C 2.141 178.774 176.600 0.054 0.000 0.997 1468 E CA 1.251 57.684 56.400 0.055 0.000 0.804 1468 E CB -0.197 29.531 29.700 0.047 0.000 0.757 1468 E HN 0.465 nan 8.360 nan 0.000 0.448 1469 A N 1.475 124.325 122.820 0.051 0.000 2.104 1469 A HA -0.209 4.094 4.320 -0.029 0.000 0.223 1469 A C 2.226 179.849 177.584 0.065 0.000 1.164 1469 A CA 1.609 53.669 52.037 0.038 0.000 0.659 1469 A CB -0.758 18.249 19.000 0.012 0.000 0.808 1469 A HN 0.501 nan 8.150 nan 0.000 0.465 1470 L N -1.403 119.876 121.223 0.093 0.000 2.102 1470 L HA -0.047 4.276 4.340 -0.029 0.000 0.202 1470 L C 2.445 179.393 176.870 0.129 0.000 1.076 1470 L CA 1.519 56.448 54.840 0.148 0.000 0.761 1470 L CB -0.288 41.866 42.059 0.158 0.000 0.921 1470 L HN 0.217 nan 8.230 nan 0.000 0.444 1471 K N 0.516 120.969 120.400 0.089 0.000 2.160 1471 K HA -0.224 4.078 4.320 -0.029 0.000 0.206 1471 K C 2.083 178.704 176.600 0.034 0.000 1.047 1471 K CA 1.365 57.687 56.287 0.058 0.000 0.930 1471 K CB -0.758 31.767 32.500 0.043 0.000 0.720 1471 K HN 0.343 nan 8.250 nan 0.000 0.450 1472 L N 1.438 122.682 121.223 0.036 0.000 2.034 1472 L HA -0.224 4.099 4.340 -0.029 0.000 0.217 1472 L C 1.298 178.167 176.870 -0.003 0.000 1.077 1472 L CA 2.151 57.001 54.840 0.016 0.000 0.769 1472 L CB -0.551 41.519 42.059 0.019 0.000 0.890 1472 L HN 0.304 nan 8.230 nan 0.000 0.435 1473 E N -1.139 119.060 120.200 -0.002 0.000 2.476 1473 E HA 0.133 4.466 4.350 -0.029 0.000 0.199 1473 E C 1.601 178.133 176.600 -0.114 0.000 1.021 1473 E CA 0.352 56.710 56.400 -0.069 0.000 0.907 1473 E CB 0.346 29.992 29.700 -0.091 0.000 0.974 1473 E HN 0.559 nan 8.360 nan 0.000 0.489 1474 A N 2.416 125.219 122.820 -0.029 0.000 2.904 1474 A HA -0.384 3.919 4.320 -0.029 0.000 0.371 1474 A C 1.677 179.200 177.584 -0.103 0.000 1.216 1474 A CA 2.100 54.131 52.037 -0.010 0.000 1.329 1474 A CB -0.798 18.203 19.000 0.001 0.000 0.722 1474 A HN 0.244 nan 8.150 nan 0.000 0.457 1475 E N -0.433 119.720 120.200 -0.079 0.000 1.987 1475 E HA 0.035 4.368 4.350 -0.029 0.000 0.198 1475 E C 0.790 177.290 176.600 -0.167 0.000 0.968 1475 E CA 1.069 57.406 56.400 -0.105 0.000 0.867 1475 E CB -0.621 29.044 29.700 -0.058 0.000 0.819 1475 E HN 0.743 nan 8.360 nan 0.000 0.516 1476 E N 0.127 120.259 120.200 -0.114 0.000 2.513 1476 E HA -0.234 4.099 4.350 -0.029 0.000 0.156 1476 E C 0.590 177.102 176.600 -0.146 0.000 1.740 1476 E CA 0.937 57.266 56.400 -0.118 0.000 0.646 1476 E CB -2.094 27.532 29.700 -0.124 0.000 1.080 1476 E HN 0.557 nan 8.360 nan 0.000 0.345 1477 I N -2.303 118.204 120.570 -0.105 0.000 2.663 1477 I HA -0.202 3.951 4.170 -0.029 0.000 0.264 1477 I C -1.426 174.643 176.117 -0.080 0.000 0.445 1477 I CA 0.584 61.831 61.300 -0.089 0.000 0.725 1477 I CB -2.507 35.436 38.000 -0.095 0.000 4.108 1477 I HN 0.448 nan 8.210 nan 0.000 1.109 1478 P HA 0.470 nan 4.420 nan 0.000 0.325 1478 P C 0.682 177.960 177.300 -0.037 0.000 1.382 1478 P CA 1.636 64.699 63.100 -0.062 0.000 0.863 1478 P CB 0.989 32.642 31.700 -0.078 0.000 2.140 1479 S N -2.826 112.861 115.700 -0.021 0.000 1.235 1479 S HA -0.097 4.356 4.470 -0.029 0.000 0.253 1479 S C 1.282 175.885 174.600 0.005 0.000 0.633 1479 S CA 0.282 58.476 58.200 -0.009 0.000 0.973 1479 S CB -1.828 61.365 63.200 -0.011 0.000 0.934 1479 S HN 0.413 nan 8.310 nan 0.000 0.485 1480 E N 1.369 121.575 120.200 0.009 0.000 2.290 1480 E HA 0.183 4.516 4.350 -0.029 0.000 0.197 1480 E C 0.278 176.897 176.600 0.033 0.000 0.948 1480 E CA 0.678 57.089 56.400 0.018 0.000 0.895 1480 E CB -0.114 29.595 29.700 0.015 0.000 0.865 1480 E HN 0.617 nan 8.360 nan 0.000 0.486 1481 D N 1.290 121.712 120.400 0.037 0.000 2.363 1481 D HA -0.091 4.532 4.640 -0.029 0.000 0.226 1481 D C 1.592 177.960 176.300 0.113 0.000 1.020 1481 D CA 0.287 54.332 54.000 0.075 0.000 0.892 1481 D CB 0.126 40.968 40.800 0.070 0.000 0.900 1481 D HN 0.110 nan 8.370 nan 0.000 0.531 1482 Q N 0.558 120.402 119.800 0.073 0.000 1.948 1482 Q HA -0.239 4.084 4.340 -0.029 0.000 0.205 1482 Q C 1.844 177.905 176.000 0.102 0.000 0.992 1482 Q CA 1.296 57.151 55.803 0.087 0.000 0.849 1482 Q CB 0.040 28.805 28.738 0.046 0.000 0.918 1482 Q HN 0.171 nan 8.270 nan 0.000 0.421 1483 N N 0.325 119.061 118.700 0.060 0.000 2.036 1483 N HA -0.241 4.482 4.740 -0.029 0.000 0.195 1483 N C 1.681 177.214 175.510 0.039 0.000 1.037 1483 N CA 1.696 54.770 53.050 0.039 0.000 0.855 1483 N CB -0.349 38.153 38.487 0.024 0.000 1.033 1483 N HN 0.406 nan 8.380 nan 0.000 0.423 1484 E N -0.052 120.181 120.200 0.056 0.000 2.000 1484 E HA -0.223 4.110 4.350 -0.029 0.000 0.199 1484 E C 2.053 178.682 176.600 0.050 0.000 1.011 1484 E CA 1.169 57.599 56.400 0.050 0.000 0.836 1484 E CB -0.483 29.261 29.700 0.073 0.000 0.778 1484 E HN 0.283 nan 8.360 nan 0.000 0.462 1485 F N 1.268 121.215 119.950 -0.005 0.000 2.091 1485 F HA -0.263 4.247 4.527 -0.029 0.000 0.299 1485 F C 2.255 178.048 175.800 -0.012 0.000 1.103 1485 F CA 1.373 59.371 58.000 -0.004 0.000 1.228 1485 F CB -0.246 38.754 39.000 0.002 0.000 0.984 1485 F HN 0.163 nan 8.300 nan 0.000 0.477 1486 L N 0.512 121.854 121.223 0.198 0.000 1.970 1486 L HA -0.240 4.083 4.340 -0.029 0.000 0.212 1486 L C 2.383 179.202 176.870 -0.083 0.000 1.071 1486 L CA 2.006 56.903 54.840 0.094 0.000 0.751 1486 L CB -1.300 40.826 42.059 0.113 0.000 0.889 1486 L HN 0.293 nan 8.230 nan 0.000 0.432 1487 L N -0.476 120.700 121.223 -0.079 0.000 2.187 1487 L HA -0.233 4.090 4.340 -0.029 0.000 0.213 1487 L C 2.387 179.118 176.870 -0.232 0.000 1.100 1487 L CA 0.806 55.567 54.840 -0.131 0.000 0.765 1487 L CB -0.299 41.698 42.059 -0.103 0.000 0.904 1487 L HN 0.339 nan 8.230 nan 0.000 0.437 1488 E N 0.771 120.809 120.200 -0.269 0.000 1.996 1488 E HA -0.201 4.132 4.350 -0.029 0.000 0.197 1488 E C 2.254 178.669 176.600 -0.308 0.000 1.002 1488 E CA 1.496 57.704 56.400 -0.319 0.000 0.840 1488 E CB -0.051 29.468 29.700 -0.303 0.000 0.786 1488 E HN 0.161 nan 8.360 nan 0.000 0.469 1489 R N -0.341 119.948 120.500 -0.351 0.000 2.105 1489 R HA -0.140 4.182 4.340 -0.029 0.000 0.239 1489 R C 2.576 178.799 176.300 -0.128 0.000 1.135 1489 R CA 1.548 57.514 56.100 -0.223 0.000 0.967 1489 R CB -0.930 29.211 30.300 -0.264 0.000 0.861 1489 R HN 0.319 nan 8.270 nan 0.000 0.442 1490 T N 0.158 114.628 114.554 -0.140 0.000 2.718 1490 T HA -0.269 4.064 4.350 -0.029 0.000 0.266 1490 T C 1.799 176.477 174.700 -0.036 0.000 1.033 1490 T CA 2.036 64.093 62.100 -0.072 0.000 1.151 1490 T CB -0.058 68.762 68.868 -0.080 0.000 0.853 1490 T HN 0.345 nan 8.240 nan 0.000 0.466 1491 R N -0.475 119.982 120.500 -0.070 0.000 2.257 1491 R HA 0.228 4.551 4.340 -0.029 0.000 0.195 1491 R C 2.164 178.485 176.300 0.035 0.000 0.921 1491 R CA 0.509 56.621 56.100 0.021 0.000 1.069 1491 R CB -0.037 30.231 30.300 -0.053 0.000 1.115 1491 R HN 0.388 nan 8.270 nan 0.000 0.571 1492 E N 1.461 121.646 120.200 -0.026 0.000 2.510 1492 E HA -0.119 4.214 4.350 -0.029 0.000 0.202 1492 E C 1.503 178.148 176.600 0.074 0.000 1.072 1492 E CA 0.915 57.362 56.400 0.078 0.000 0.883 1492 E CB 0.035 29.789 29.700 0.091 0.000 0.818 1492 E HN 0.627 nan 8.360 nan 0.000 0.548 1493 I N -4.206 116.409 120.570 0.075 0.000 3.718 1493 I HA 0.025 4.178 4.170 -0.029 0.000 0.297 1493 I C 2.411 178.604 176.117 0.128 0.000 1.220 1493 I CA 0.013 61.382 61.300 0.115 0.000 1.381 1493 I CB -0.714 37.359 38.000 0.121 0.000 1.238 1493 I HN 0.048 nan 8.210 nan 0.000 0.448 1494 H N 2.337 121.403 119.070 -0.006 0.000 2.357 1494 H HA -0.209 4.329 4.556 -0.029 0.000 0.296 1494 H C 1.862 177.176 175.328 -0.022 0.000 1.108 1494 H CA 2.171 58.203 56.048 -0.027 0.000 1.273 1494 H CB 0.120 29.863 29.762 -0.032 0.000 1.367 1494 H HN 0.374 nan 8.280 nan 0.000 0.498 1495 N N 0.522 119.206 118.700 -0.027 0.000 2.058 1495 N HA -0.159 4.564 4.740 -0.029 0.000 0.191 1495 N C 1.906 177.405 175.510 -0.018 0.000 1.037 1495 N CA 1.348 54.341 53.050 -0.094 0.000 0.848 1495 N CB -0.386 38.080 38.487 -0.035 0.000 1.021 1495 N HN 0.411 nan 8.380 nan 0.000 0.422 1496 E N 1.039 121.263 120.200 0.040 0.000 2.136 1496 E HA -0.210 4.123 4.350 -0.029 0.000 0.208 1496 E C 1.724 178.313 176.600 -0.019 0.000 1.035 1496 E CA 1.616 58.056 56.400 0.068 0.000 0.838 1496 E CB -0.495 29.309 29.700 0.172 0.000 0.748 1496 E HN 0.399 nan 8.360 nan 0.000 0.459 1497 A N 0.450 123.233 122.820 -0.061 0.000 1.830 1497 A HA -0.290 4.013 4.320 -0.029 0.000 0.214 1497 A C 2.136 179.665 177.584 -0.092 0.000 1.218 1497 A CA 1.877 53.825 52.037 -0.148 0.000 0.628 1497 A CB -1.163 17.794 19.000 -0.072 0.000 0.860 1497 A HN 0.381 nan 8.150 nan 0.000 0.454 1498 E N -0.495 119.687 120.200 -0.030 0.000 2.245 1498 E HA -0.311 4.022 4.350 -0.029 0.000 0.217 1498 E C 2.130 178.700 176.600 -0.049 0.000 1.069 1498 E CA 1.899 58.276 56.400 -0.038 0.000 0.877 1498 E CB -0.280 29.380 29.700 -0.068 0.000 0.757 1498 E HN 0.541 nan 8.360 nan 0.000 0.464 1499 S N -0.352 115.320 115.700 -0.047 0.000 2.378 1499 S HA -0.273 4.180 4.470 -0.029 0.000 0.221 1499 S C 1.991 176.574 174.600 -0.029 0.000 1.037 1499 S CA 1.686 59.869 58.200 -0.030 0.000 1.069 1499 S CB -0.355 62.840 63.200 -0.009 0.000 1.006 1499 S HN 0.375 nan 8.310 nan 0.000 0.423 1500 Q N 0.381 120.157 119.800 -0.041 0.000 2.173 1500 Q HA -0.176 4.147 4.340 -0.029 0.000 0.208 1500 Q C 2.237 178.211 176.000 -0.044 0.000 0.989 1500 Q CA 1.612 57.389 55.803 -0.042 0.000 0.872 1500 Q CB -0.545 28.123 28.738 -0.116 0.000 0.909 1500 Q HN 0.622 nan 8.270 nan 0.000 0.420 1501 L N 0.215 121.399 121.223 -0.064 0.000 1.961 1501 L HA -0.247 4.076 4.340 -0.029 0.000 0.210 1501 L C 2.637 179.495 176.870 -0.020 0.000 1.072 1501 L CA 1.369 56.181 54.840 -0.047 0.000 0.749 1501 L CB -0.209 41.819 42.059 -0.053 0.000 0.889 1501 L HN 0.184 nan 8.230 nan 0.000 0.432 1502 R N 0.043 120.528 120.500 -0.024 0.000 2.082 1502 R HA -0.160 4.163 4.340 -0.029 0.000 0.234 1502 R C 2.227 178.521 176.300 -0.011 0.000 1.136 1502 R CA 1.502 57.590 56.100 -0.020 0.000 0.935 1502 R CB -1.288 28.996 30.300 -0.027 0.000 0.842 1502 R HN 0.536 nan 8.270 nan 0.000 0.430 1503 A N 1.343 124.157 122.820 -0.010 0.000 1.985 1503 A HA -0.283 4.020 4.320 -0.029 0.000 0.223 1503 A C 2.372 179.964 177.584 0.013 0.000 1.189 1503 A CA 2.514 54.547 52.037 -0.006 0.000 0.658 1503 A CB -0.706 18.297 19.000 0.004 0.000 0.820 1503 A HN 0.468 nan 8.150 nan 0.000 0.464 1504 A N -1.269 121.577 122.820 0.043 0.000 1.825 1504 A HA -0.174 4.129 4.320 -0.029 0.000 0.214 1504 A C 2.005 179.654 177.584 0.108 0.000 1.206 1504 A CA 1.516 53.622 52.037 0.116 0.000 0.609 1504 A CB -0.849 18.212 19.000 0.101 0.000 0.851 1504 A HN 0.601 nan 8.150 nan 0.000 0.445 1505 Q N -0.660 119.172 119.800 0.054 0.000 2.224 1505 Q HA -0.353 3.970 4.340 -0.029 0.000 0.213 1505 Q C 2.283 178.279 176.000 -0.006 0.000 0.998 1505 Q CA 2.133 57.951 55.803 0.024 0.000 0.895 1505 Q CB -0.337 28.396 28.738 -0.008 0.000 0.926 1505 Q HN 0.766 nan 8.270 nan 0.000 0.417 1506 Q N 0.701 120.486 119.800 -0.025 0.000 1.948 1506 Q HA -0.152 4.171 4.340 -0.029 0.000 0.205 1506 Q C 0.655 176.575 176.000 -0.134 0.000 0.992 1506 Q CA 1.067 56.824 55.803 -0.076 0.000 0.849 1506 Q CB 0.036 28.728 28.738 -0.076 0.000 0.918 1506 Q HN 0.370 nan 8.270 nan 0.000 0.421 1507 Q N -0.595 119.116 119.800 -0.149 0.000 2.392 1507 Q HA -0.085 4.238 4.340 -0.029 0.000 0.262 1507 Q C -1.276 174.613 176.000 -0.185 0.000 1.003 1507 Q CA -0.095 55.497 55.803 -0.352 0.000 0.888 1507 Q CB 0.437 28.813 28.738 -0.604 0.000 1.260 1507 Q HN 0.211 nan 8.270 nan 0.000 0.435 1508 W N 2.191 123.333 121.300 -0.263 0.000 3.103 1508 W HA -0.218 4.425 4.660 -0.029 0.000 0.449 1508 W C 0.685 176.725 176.519 -0.799 0.000 1.840 1508 W CA 0.994 57.999 57.345 -0.567 0.000 0.465 1508 W CB -1.978 27.399 29.460 -0.139 0.000 2.860 1508 W HN 1.081 nan 8.180 nan 0.000 0.428 1509 G N 0.454 108.453 108.800 -1.336 0.000 3.211 1509 G HA2 -0.359 3.584 3.960 -0.029 0.000 0.206 1509 G HA3 -0.359 3.584 3.960 -0.029 0.000 0.206 1509 G C 1.015 175.755 174.900 -0.267 0.000 1.418 1509 G CA 0.493 45.240 45.100 -0.587 0.000 0.958 1509 G HN 0.411 nan 8.290 nan 0.000 0.567 1510 N N 1.332 119.904 118.700 -0.213 0.000 2.178 1510 N HA 0.088 4.811 4.740 -0.029 0.000 0.189 1510 N C 0.466 175.855 175.510 -0.202 0.000 1.048 1510 N CA 1.424 54.403 53.050 -0.118 0.000 0.855 1510 N CB -0.149 38.274 38.487 -0.107 0.000 1.028 1510 N HN 0.437 nan 8.380 nan 0.000 0.441 1511 D N 0.489 120.719 120.400 -0.285 0.000 2.895 1511 D HA 0.103 4.726 4.640 -0.029 0.000 0.258 1511 D C 0.832 176.928 176.300 -0.340 0.000 1.311 1511 D CA -0.356 53.398 54.000 -0.411 0.000 0.843 1511 D CB -0.119 40.486 40.800 -0.325 0.000 1.055 1511 D HN -0.028 nan 8.370 nan 0.000 0.486 1512 F N 1.743 121.550 119.950 -0.239 0.000 2.067 1512 F HA -0.350 4.159 4.527 -0.029 0.000 0.295 1512 F C 1.981 177.709 175.800 -0.120 0.000 1.142 1512 F CA 1.621 59.568 58.000 -0.088 0.000 1.230 1512 F CB -1.229 37.888 39.000 0.196 0.000 0.941 1512 F HN 0.190 nan 8.300 nan 0.000 0.518 1513 Y N -1.336 119.055 120.300 0.151 0.000 2.975 1513 Y HA 0.080 4.613 4.550 -0.029 0.000 0.205 1513 Y C 2.303 178.197 175.900 -0.009 0.000 0.883 1513 Y CA -0.022 58.096 58.100 0.029 0.000 0.893 1513 Y CB -1.496 36.981 38.460 0.028 0.000 1.068 1513 Y HN 0.208 nan 8.280 nan 0.000 0.521 1514 K N -1.234 119.135 120.400 -0.052 0.000 10.798 1514 K HA -0.347 3.956 4.320 -0.029 0.000 0.503 1514 K C 1.541 178.161 176.600 0.033 0.000 0.503 1514 K CA 1.668 57.905 56.287 -0.085 0.000 1.825 1514 K CB -1.473 30.902 32.500 -0.209 0.000 0.782 1514 K HN 0.558 nan 8.250 nan 0.000 1.210 1515 R N 1.022 121.515 120.500 -0.012 0.000 1.167 1515 R HA 0.010 4.332 4.340 -0.029 0.000 0.087 1515 R C -0.045 176.272 176.300 0.027 0.000 0.646 1515 R CA 0.733 56.835 56.100 0.004 0.000 1.985 1515 R CB -0.589 29.695 30.300 -0.026 0.000 0.553 1515 R HN 0.639 nan 8.270 nan 0.000 0.746 1516 D N 1.194 121.595 120.400 0.001 0.000 3.164 1516 D HA -0.078 4.544 4.640 -0.029 0.000 0.200 1516 D C -1.624 174.658 176.300 -0.030 0.000 1.222 1516 D CA -0.140 53.853 54.000 -0.013 0.000 0.871 1516 D CB 0.332 41.129 40.800 -0.005 0.000 0.831 1516 D HN 0.206 nan 8.370 nan 0.000 0.389 1517 P HA -0.187 nan 4.420 nan 0.000 0.229 1517 P C 1.162 178.326 177.300 -0.225 0.000 1.150 1517 P CA 0.602 63.650 63.100 -0.086 0.000 0.765 1517 P CB 0.173 31.836 31.700 -0.061 0.000 0.783 1518 R N 0.349 120.708 120.500 -0.234 0.000 2.316 1518 R HA 0.124 4.447 4.340 -0.029 0.000 0.202 1518 R C 0.565 176.450 176.300 -0.693 0.000 1.029 1518 R CA 0.359 56.230 56.100 -0.381 0.000 1.018 1518 R CB -0.500 29.681 30.300 -0.198 0.000 0.888 1518 R HN 0.132 nan 8.270 nan 0.000 0.471 1519 I N -1.423 118.876 120.570 -0.452 0.000 2.667 1519 I HA 0.231 4.384 4.170 -0.029 0.000 0.291 1519 I C -2.010 174.089 176.117 -0.030 0.000 1.722 1519 I CA 0.319 61.435 61.300 -0.307 0.000 1.075 1519 I CB 1.116 39.032 38.000 -0.140 0.000 1.591 1519 I HN -0.003 nan 8.210 nan 0.000 0.471 1520 A N 8.381 131.237 122.820 0.061 0.000 2.602 1520 A HA 0.592 4.895 4.320 -0.029 0.000 0.238 1520 A C -2.797 174.879 177.584 0.153 0.000 0.863 1520 A CA -0.243 51.906 52.037 0.187 0.000 1.148 1520 A CB 0.218 19.349 19.000 0.218 0.000 1.227 1520 A HN 0.566 nan 8.150 nan 0.000 0.460 1521 P HA 0.471 nan 4.420 nan 0.000 0.303 1521 P C 0.594 177.849 177.300 -0.074 0.000 1.272 1521 P CA -0.145 62.976 63.100 0.035 0.000 0.787 1521 P CB 0.343 32.093 31.700 0.083 0.000 1.979 1522 L N -0.268 120.914 121.223 -0.069 0.000 2.023 1522 L HA 0.134 4.456 4.340 -0.029 0.000 0.205 1522 L C 3.013 179.777 176.870 -0.177 0.000 1.073 1522 L CA 1.607 56.386 54.840 -0.101 0.000 0.745 1522 L CB -1.728 40.286 42.059 -0.075 0.000 0.900 1522 L HN 0.204 nan 8.230 nan 0.000 0.435 1523 R N 0.033 120.435 120.500 -0.164 0.000 2.159 1523 R HA -0.262 4.060 4.340 -0.029 0.000 0.252 1523 R C 2.162 178.257 176.300 -0.341 0.000 1.144 1523 R CA 1.864 57.851 56.100 -0.189 0.000 0.961 1523 R CB -0.996 29.229 30.300 -0.126 0.000 0.877 1523 R HN 0.517 nan 8.270 nan 0.000 0.444 1524 G N -0.235 108.224 108.800 -0.569 0.000 2.719 1524 G HA2 -0.389 3.554 3.960 -0.029 0.000 0.219 1524 G HA3 -0.389 3.554 3.960 -0.029 0.000 0.219 1524 G C 1.454 175.755 174.900 -0.998 0.000 1.234 1524 G CA 1.592 45.774 45.100 -1.531 0.000 0.788 1524 G HN 0.554 nan 8.290 nan 0.000 0.619 1525 A N 0.095 122.682 122.820 -0.390 0.000 1.877 1525 A HA 0.097 4.400 4.320 -0.029 0.000 0.216 1525 A C 2.190 179.646 177.584 -0.214 0.000 1.186 1525 A CA 1.488 53.456 52.037 -0.115 0.000 0.620 1525 A CB -0.436 18.532 19.000 -0.053 0.000 0.822 1525 A HN 0.306 nan 8.150 nan 0.000 0.443 1526 L N -0.568 120.538 121.223 -0.195 0.000 2.651 1526 L HA -0.087 4.236 4.340 -0.029 0.000 0.236 1526 L C 2.154 178.950 176.870 -0.124 0.000 1.173 1526 L CA 1.272 56.023 54.840 -0.148 0.000 0.843 1526 L CB -2.256 39.735 42.059 -0.113 0.000 0.964 1526 L HN 0.511 nan 8.230 nan 0.000 0.454 1527 A N -0.892 121.845 122.820 -0.139 0.000 2.383 1527 A HA -0.002 4.301 4.320 -0.029 0.000 0.225 1527 A C 1.156 178.795 177.584 0.091 0.000 1.946 1527 A CA 0.590 52.605 52.037 -0.035 0.000 0.739 1527 A CB -0.846 18.120 19.000 -0.055 0.000 1.405 1527 A HN 0.268 nan 8.150 nan 0.000 0.548 1528 T N 0.395 115.106 114.554 0.262 0.000 2.525 1528 T HA -0.022 4.311 4.350 -0.029 0.000 0.239 1528 T C 0.803 175.514 174.700 0.017 0.000 1.047 1528 T CA 1.438 63.741 62.100 0.339 0.000 1.215 1528 T CB -1.105 67.934 68.868 0.286 0.000 1.025 1528 T HN 1.384 nan 8.240 nan 0.000 0.487 1529 Y N 1.398 121.830 120.300 0.219 0.000 2.698 1529 Y HA -0.386 4.146 4.550 -0.029 0.000 0.481 1529 Y C 1.192 177.187 175.900 0.158 0.000 1.043 1529 Y CA 1.385 59.573 58.100 0.147 0.000 3.048 1529 Y CB -2.257 36.280 38.460 0.127 0.000 1.026 1529 Y HN 1.241 nan 8.280 nan 0.000 0.592 1530 G N 3.427 112.223 108.800 -0.007 0.000 2.816 1530 G HA2 0.002 3.944 3.960 -0.029 0.000 0.341 1530 G HA3 0.002 3.944 3.960 -0.029 0.000 0.341 1530 G C 0.324 175.308 174.900 0.139 0.000 0.171 1530 G CA 0.435 45.579 45.100 0.072 0.000 1.218 1530 G HN 0.748 nan 8.290 nan 0.000 0.433 1531 L N 2.377 123.758 121.223 0.263 0.000 2.238 1531 L HA 0.240 4.563 4.340 -0.029 0.000 0.163 1531 L C 2.182 179.107 176.870 0.092 0.000 0.795 1531 L CA 1.568 56.496 54.840 0.148 0.000 1.402 1531 L CB -0.563 41.593 42.059 0.161 0.000 1.595 1531 L HN 0.898 nan 8.230 nan 0.000 0.431 1532 T N 1.004 115.601 114.554 0.072 0.000 2.334 1532 T HA -0.200 4.133 4.350 -0.029 0.000 0.575 1532 T C 1.569 176.267 174.700 -0.003 0.000 1.026 1532 T CA 0.381 62.495 62.100 0.024 0.000 3.786 1532 T CB -0.710 68.168 68.868 0.017 0.000 0.850 1532 T HN 0.339 nan 8.240 nan 0.000 0.237 1533 I N 3.307 123.867 120.570 -0.017 0.000 2.231 1533 I HA -0.206 3.946 4.170 -0.029 0.000 0.251 1533 I C 1.300 177.378 176.117 -0.066 0.000 1.076 1533 I CA 2.345 63.618 61.300 -0.044 0.000 1.347 1533 I CB -0.752 37.220 38.000 -0.048 0.000 1.038 1533 I HN 0.947 nan 8.210 nan 0.000 0.429 1534 D N -0.582 119.781 120.400 -0.062 0.000 3.171 1534 D HA 0.164 4.787 4.640 -0.029 0.000 0.240 1534 D C -0.765 175.488 176.300 -0.078 0.000 1.432 1534 D CA -0.322 53.632 54.000 -0.078 0.000 0.892 1534 D CB -0.363 40.376 40.800 -0.103 0.000 1.499 1534 D HN 0.122 nan 8.370 nan 0.000 0.597 1535 D N 1.374 121.738 120.400 -0.060 0.000 2.429 1535 D HA 0.249 4.872 4.640 -0.029 0.000 0.255 1535 D C 0.787 177.057 176.300 -0.050 0.000 1.257 1535 D CA -0.428 53.532 54.000 -0.066 0.000 0.890 1535 D CB 0.832 41.599 40.800 -0.056 0.000 1.267 1535 D HN 0.077 nan 8.370 nan 0.000 0.521 1536 L N 1.605 122.794 121.223 -0.057 0.000 2.004 1536 L HA 0.503 4.826 4.340 -0.029 0.000 0.205 1536 L C 2.150 178.994 176.870 -0.043 0.000 1.089 1536 L CA 0.992 55.803 54.840 -0.048 0.000 0.756 1536 L CB -0.894 41.136 42.059 -0.048 0.000 0.900 1536 L HN 0.516 nan 8.230 nan 0.000 0.440 1537 G N -1.476 107.299 108.800 -0.042 0.000 2.148 1537 G HA2 -0.099 3.844 3.960 -0.029 0.000 0.203 1537 G HA3 -0.099 3.844 3.960 -0.029 0.000 0.203 1537 G C 0.244 175.138 174.900 -0.010 0.000 0.993 1537 G CA 0.271 45.350 45.100 -0.033 0.000 0.661 1537 G HN 0.515 nan 8.290 nan 0.000 0.518 1538 V N -3.961 115.957 119.914 0.006 0.000 6.587 1538 V HA 0.980 5.083 4.120 -0.029 0.000 0.139 1538 V C 1.122 177.264 176.094 0.080 0.000 1.337 1538 V CA 0.435 62.753 62.300 0.030 0.000 1.043 1538 V CB 0.334 32.166 31.823 0.015 0.000 2.178 1538 V HN 2.296 nan 8.190 nan 0.000 0.334 1539 A N 0.854 123.712 122.820 0.063 0.000 2.412 1539 A HA 0.100 4.403 4.320 -0.029 0.000 0.676 1539 A C 0.813 178.538 177.584 0.235 0.000 0.183 1539 A CA 0.477 52.555 52.037 0.069 0.000 0.107 1539 A CB -1.915 17.060 19.000 -0.042 0.000 3.914 1539 A HN 2.247 nan 8.150 nan 0.000 0.540 1540 S N 1.927 117.743 115.700 0.194 0.000 2.547 1540 S HA 0.221 4.674 4.470 -0.029 0.000 0.235 1540 S C 1.267 176.193 174.600 0.543 0.000 0.980 1540 S CA 1.533 59.900 58.200 0.279 0.000 0.941 1540 S CB -0.703 62.630 63.200 0.220 0.000 0.763 1540 S HN 1.950 nan 8.310 nan 0.000 0.532 1541 F N 0.710 120.783 119.950 0.205 0.000 2.555 1541 F HA -0.401 4.108 4.527 -0.029 0.000 0.693 1541 F C 1.481 177.451 175.800 0.283 0.000 0.487 1541 F CA 2.136 60.310 58.000 0.290 0.000 0.748 1541 F CB -1.524 37.834 39.000 0.597 0.000 1.624 1541 F HN 0.595 nan 8.300 nan 0.000 0.266 1542 H N -1.493 117.791 119.070 0.356 0.000 4.219 1542 H HA -0.144 4.395 4.556 -0.029 0.000 0.125 1542 H C 0.839 176.266 175.328 0.165 0.000 0.676 1542 H CA 1.296 57.452 56.048 0.179 0.000 1.235 1542 H CB -1.589 28.191 29.762 0.029 0.000 0.642 1542 H HN 1.107 nan 8.280 nan 0.000 0.599 1543 G N 2.753 111.749 108.800 0.327 0.000 2.317 1543 G HA2 0.022 3.964 3.960 -0.029 0.000 0.286 1543 G HA3 0.022 3.964 3.960 -0.029 0.000 0.286 1543 G C 1.305 176.166 174.900 -0.065 0.000 0.839 1543 G CA 0.994 46.171 45.100 0.127 0.000 1.389 1543 G HN 0.880 nan 8.290 nan 0.000 0.344 1544 T N -0.131 114.349 114.554 -0.124 0.000 3.438 1544 T HA -0.039 4.294 4.350 -0.029 0.000 0.263 1544 T C 1.707 176.401 174.700 -0.010 0.000 1.199 1544 T CA 1.082 63.096 62.100 -0.143 0.000 1.019 1544 T CB -0.351 68.350 68.868 -0.278 0.000 0.942 1544 T HN 1.580 nan 8.240 nan 0.000 0.562 1545 S N -0.846 114.814 115.700 -0.067 0.000 2.981 1545 S HA -0.287 4.165 4.470 -0.029 0.000 0.274 1545 S C 1.230 175.822 174.600 -0.013 0.000 1.297 1545 S CA 1.849 60.009 58.200 -0.067 0.000 1.266 1545 S CB -2.451 60.750 63.200 0.002 0.000 1.542 1545 S HN 0.909 nan 8.310 nan 0.000 0.674 1546 T N 0.698 115.263 114.554 0.019 0.000 3.035 1546 T HA 0.056 4.389 4.350 -0.029 0.000 0.268 1546 T C 1.110 175.810 174.700 0.000 0.000 1.109 1546 T CA 1.883 64.016 62.100 0.055 0.000 1.119 1546 T CB -0.598 68.309 68.868 0.064 0.000 0.900 1546 T HN 0.710 nan 8.240 nan 0.000 0.503 1547 K N -0.512 119.857 120.400 -0.051 0.000 2.817 1547 K HA -0.300 4.003 4.320 -0.029 0.000 0.241 1547 K C 0.857 177.432 176.600 -0.041 0.000 0.931 1547 K CA 0.723 56.961 56.287 -0.082 0.000 0.696 1547 K CB -1.163 31.264 32.500 -0.123 0.000 1.235 1547 K HN 0.565 nan 8.250 nan 0.000 0.483 1548 A N -0.159 122.651 122.820 -0.016 0.000 2.259 1548 A HA 0.020 4.323 4.320 -0.029 0.000 0.213 1548 A C 1.480 179.053 177.584 -0.018 0.000 1.209 1548 A CA 0.451 52.482 52.037 -0.011 0.000 0.910 1548 A CB 0.012 19.014 19.000 0.003 0.000 0.946 1548 A HN 0.600 nan 8.150 nan 0.000 0.497 1549 N N -0.165 118.530 118.700 -0.008 0.000 2.510 1549 N HA -0.076 4.647 4.740 -0.029 0.000 0.186 1549 N C 0.458 176.012 175.510 0.074 0.000 1.051 1549 N CA 1.125 54.173 53.050 -0.002 0.000 0.877 1549 N CB -0.223 38.280 38.487 0.026 0.000 1.183 1549 N HN 0.072 nan 8.380 nan 0.000 0.443 1550 D N 1.985 122.417 120.400 0.054 0.000 2.127 1550 D HA -0.220 4.403 4.640 -0.029 0.000 0.190 1550 D C 1.758 178.129 176.300 0.118 0.000 1.000 1550 D CA 1.432 55.466 54.000 0.056 0.000 0.839 1550 D CB -0.220 40.496 40.800 -0.140 0.000 0.955 1550 D HN 0.416 nan 8.370 nan 0.000 0.446 1551 K N 0.650 121.081 120.400 0.051 0.000 1.974 1551 K HA -0.202 4.100 4.320 -0.029 0.000 0.229 1551 K C 0.926 177.602 176.600 0.127 0.000 1.038 1551 K CA 1.183 57.521 56.287 0.085 0.000 1.034 1551 K CB -0.478 32.044 32.500 0.037 0.000 0.742 1551 K HN 0.040 nan 8.250 nan 0.000 0.446 1552 N N 1.697 120.427 118.700 0.051 0.000 2.453 1552 N HA -0.151 4.572 4.740 -0.029 0.000 0.302 1552 N C 0.154 175.709 175.510 0.074 0.000 1.241 1552 N CA 1.381 54.436 53.050 0.009 0.000 1.129 1552 N CB 0.018 38.441 38.487 -0.106 0.000 1.482 1552 N HN 0.610 nan 8.380 nan 0.000 0.494 1553 E N 0.007 120.350 120.200 0.238 0.000 1.813 1553 E HA -0.039 4.294 4.350 -0.029 0.000 0.256 1553 E C -0.498 176.331 176.600 0.381 0.000 1.062 1553 E CA -0.236 56.414 56.400 0.418 0.000 1.754 1553 E CB -0.931 29.133 29.700 0.607 0.000 3.730 1553 E HN 0.178 nan 8.360 nan 0.000 0.961 1554 S N 0.759 116.790 115.700 0.551 0.000 3.120 1554 S HA 0.505 4.958 4.470 -0.029 0.000 0.259 1554 S C 0.027 174.844 174.600 0.362 0.000 1.191 1554 S CA 0.737 59.344 58.200 0.679 0.000 1.257 1554 S CB 0.393 64.079 63.200 0.810 0.000 0.964 1554 S HN 0.589 nan 8.310 nan 0.000 0.473 1555 A N -0.307 122.662 122.820 0.247 0.000 1.953 1555 A HA 0.375 4.678 4.320 -0.029 0.000 0.232 1555 A C 0.507 178.160 177.584 0.115 0.000 2.799 1555 A CA -0.307 51.808 52.037 0.130 0.000 2.066 1555 A CB -0.555 18.501 19.000 0.094 0.000 0.321 1555 A HN 0.236 nan 8.150 nan 0.000 0.918 1556 T N -1.121 113.518 114.554 0.141 0.000 3.345 1556 T HA 0.211 4.544 4.350 -0.029 0.000 0.273 1556 T C 0.992 175.769 174.700 0.128 0.000 0.853 1556 T CA 0.824 63.003 62.100 0.132 0.000 0.812 1556 T CB -0.182 68.795 68.868 0.181 0.000 1.246 1556 T HN 0.529 nan 8.240 nan 0.000 0.737 1557 I N 0.367 121.015 120.570 0.130 0.000 4.032 1557 I HA 0.286 4.439 4.170 -0.029 0.000 0.313 1557 I C 1.700 177.917 176.117 0.167 0.000 1.272 1557 I CA 0.435 61.787 61.300 0.087 0.000 1.307 1557 I CB 0.499 38.492 38.000 -0.011 0.000 1.155 1557 I HN 0.071 nan 8.210 nan 0.000 0.431 1558 N N 1.329 120.144 118.700 0.192 0.000 2.083 1558 N HA -0.245 4.478 4.740 -0.029 0.000 0.190 1558 N C 1.400 177.002 175.510 0.155 0.000 1.047 1558 N CA 1.282 54.452 53.050 0.200 0.000 0.845 1558 N CB 0.032 38.523 38.487 0.007 0.000 1.025 1558 N HN 0.097 nan 8.380 nan 0.000 0.428 1559 E N -0.286 119.964 120.200 0.084 0.000 2.357 1559 E HA -0.037 4.296 4.350 -0.029 0.000 0.194 1559 E C 0.951 177.607 176.600 0.093 0.000 1.177 1559 E CA 0.203 56.646 56.400 0.072 0.000 0.998 1559 E CB -0.428 29.295 29.700 0.038 0.000 1.106 1559 E HN 0.558 nan 8.360 nan 0.000 0.470 1560 M N -1.525 118.146 119.600 0.119 0.000 2.260 1560 M HA 0.183 4.645 4.480 -0.029 0.000 0.326 1560 M C 0.395 176.755 176.300 0.100 0.000 0.930 1560 M CA -0.071 55.290 55.300 0.102 0.000 1.051 1560 M CB 0.464 33.113 32.600 0.081 0.000 1.748 1560 M HN 0.079 nan 8.290 nan 0.000 0.606 1561 M N 0.631 120.322 119.600 0.152 0.000 2.553 1561 M HA 0.163 4.626 4.480 -0.029 0.000 0.255 1561 M C 1.778 178.137 176.300 0.099 0.000 1.181 1561 M CA 0.993 56.366 55.300 0.121 0.000 1.210 1561 M CB -0.749 31.985 32.600 0.223 0.000 1.280 1561 M HN 0.129 nan 8.290 nan 0.000 0.495 1562 K N 0.118 120.624 120.400 0.177 0.000 2.015 1562 K HA -0.256 4.046 4.320 -0.029 0.000 0.220 1562 K C 1.794 178.434 176.600 0.066 0.000 1.055 1562 K CA 1.985 58.349 56.287 0.129 0.000 0.951 1562 K CB -1.514 31.067 32.500 0.134 0.000 0.725 1562 K HN 0.412 nan 8.250 nan 0.000 0.449 1563 H N -0.076 118.986 119.070 -0.013 0.000 2.570 1563 H HA -0.040 4.499 4.556 -0.029 0.000 0.280 1563 H C 1.173 176.409 175.328 -0.154 0.000 1.038 1563 H CA 0.628 56.641 56.048 -0.057 0.000 1.186 1563 H CB 0.000 29.744 29.762 -0.030 0.000 1.339 1563 H HN 0.046 nan 8.280 nan 0.000 0.615 1564 L N -2.168 118.939 121.223 -0.194 0.000 2.948 1564 L HA 0.375 4.698 4.340 -0.029 0.000 0.259 1564 L C 1.379 178.098 176.870 -0.251 0.000 1.136 1564 L CA 0.945 55.592 54.840 -0.322 0.000 0.959 1564 L CB 0.690 42.630 42.059 -0.198 0.000 1.370 1564 L HN 0.472 nan 8.230 nan 0.000 0.552 1565 G N -0.474 108.241 108.800 -0.143 0.000 2.145 1565 G HA2 -0.063 3.879 3.960 -0.029 0.000 0.203 1565 G HA3 -0.063 3.879 3.960 -0.029 0.000 0.203 1565 G C -0.839 174.017 174.900 -0.074 0.000 1.096 1565 G CA -0.342 44.696 45.100 -0.102 0.000 1.282 1565 G HN 0.275 nan 8.290 nan 0.000 0.474 1566 R N 0.275 120.716 120.500 -0.099 0.000 1.504 1566 R HA -0.031 4.292 4.340 -0.029 0.000 0.390 1566 R C 0.893 177.126 176.300 -0.111 0.000 1.308 1566 R CA 1.073 57.094 56.100 -0.133 0.000 1.250 1566 R CB -1.720 28.452 30.300 -0.212 0.000 3.548 1566 R HN 2.195 nan 8.270 nan 0.000 0.480 1567 S N 2.895 118.539 115.700 -0.094 0.000 2.560 1567 S HA 0.021 4.474 4.470 -0.029 0.000 0.276 1567 S C 0.582 175.143 174.600 -0.065 0.000 1.350 1567 S CA 0.134 58.298 58.200 -0.059 0.000 1.024 1567 S CB 0.661 63.831 63.200 -0.050 0.000 0.864 1567 S HN 0.567 nan 8.310 nan 0.000 0.536 1568 E N 0.949 121.146 120.200 -0.005 0.000 2.330 1568 E HA 0.188 4.521 4.350 -0.029 0.000 0.210 1568 E C 1.080 177.696 176.600 0.027 0.000 1.256 1568 E CA 0.069 56.498 56.400 0.047 0.000 1.346 1568 E CB -0.390 29.360 29.700 0.083 0.000 1.308 1568 E HN 0.886 nan 8.360 nan 0.000 0.441 1569 G N 0.786 109.569 108.800 -0.028 0.000 2.535 1569 G HA2 -0.041 3.901 3.960 -0.029 0.000 0.191 1569 G HA3 -0.041 3.901 3.960 -0.029 0.000 0.191 1569 G C 0.408 175.274 174.900 -0.056 0.000 1.242 1569 G CA -0.354 44.732 45.100 -0.023 0.000 0.797 1569 G HN 0.071 nan 8.290 nan 0.000 0.863 1570 N N 2.571 121.206 118.700 -0.108 0.000 3.228 1570 N HA 0.320 5.042 4.740 -0.029 0.000 0.289 1570 N C -2.772 172.593 175.510 -0.241 0.000 1.419 1570 N CA -1.056 51.915 53.050 -0.131 0.000 1.088 1570 N CB 1.774 40.195 38.487 -0.111 0.000 1.357 1570 N HN 0.152 nan 8.380 nan 0.000 0.504 1571 P HA 0.041 nan 4.420 nan 0.000 0.274 1571 P C 0.140 177.339 177.300 -0.169 0.000 1.470 1571 P CA -0.328 62.534 63.100 -0.396 0.000 1.001 1571 P CB 0.453 32.126 31.700 -0.046 0.000 1.332 1572 V N 2.789 122.586 119.914 -0.195 0.000 3.121 1572 V HA -0.194 3.909 4.120 -0.029 0.000 0.277 1572 V C 0.493 176.604 176.094 0.028 0.000 1.474 1572 V CA 0.210 62.479 62.300 -0.052 0.000 1.468 1572 V CB -1.014 30.807 31.823 -0.003 0.000 0.819 1572 V HN 0.373 nan 8.190 nan 0.000 0.450 1573 I N 5.241 125.818 120.570 0.012 0.000 2.474 1573 I HA 0.540 4.692 4.170 -0.029 0.000 0.287 1573 I C 1.271 177.402 176.117 0.023 0.000 1.048 1573 I CA 0.734 62.037 61.300 0.006 0.000 1.383 1573 I CB 1.172 39.158 38.000 -0.023 0.000 1.412 1573 I HN 0.998 nan 8.210 nan 0.000 0.531 1574 G N 4.546 113.312 108.800 -0.057 0.000 2.451 1574 G HA2 0.490 4.433 3.960 -0.029 0.000 0.303 1574 G HA3 0.490 4.433 3.960 -0.029 0.000 0.303 1574 G C 0.360 174.927 174.900 -0.556 0.000 1.166 1574 G CA -0.433 44.512 45.100 -0.259 0.000 0.884 1574 G HN 0.458 nan 8.290 nan 0.000 0.514 1575 V N -0.235 119.281 119.914 -0.665 0.000 3.405 1575 V HA 0.428 4.530 4.120 -0.029 0.000 0.211 1575 V C -0.020 175.757 176.094 -0.528 0.000 1.151 1575 V CA 0.137 62.178 62.300 -0.432 0.000 1.323 1575 V CB -1.042 30.758 31.823 -0.040 0.000 1.357 1575 V HN 0.826 nan 8.190 nan 0.000 0.506 1576 F N 1.238 121.291 119.950 0.173 0.000 2.343 1576 F HA -0.127 4.383 4.527 -0.029 0.000 0.487 1576 F C 0.969 176.872 175.800 0.172 0.000 1.227 1576 F CA 0.488 58.580 58.000 0.153 0.000 1.552 1576 F CB -2.261 36.781 39.000 0.070 0.000 2.399 1576 F HN 0.431 nan 8.300 nan 0.000 0.740 1577 Q N 1.015 121.011 119.800 0.326 0.000 2.378 1577 Q HA -0.097 4.226 4.340 -0.029 0.000 0.205 1577 Q C 1.973 178.123 176.000 0.249 0.000 0.954 1577 Q CA 1.044 56.989 55.803 0.237 0.000 0.901 1577 Q CB 0.225 29.092 28.738 0.216 0.000 0.981 1577 Q HN 0.518 nan 8.270 nan 0.000 0.483 1578 K N 0.723 121.299 120.400 0.293 0.000 2.000 1578 K HA -0.189 4.114 4.320 -0.029 0.000 0.218 1578 K C 0.854 177.636 176.600 0.303 0.000 1.053 1578 K CA 0.706 57.155 56.287 0.270 0.000 0.946 1578 K CB -1.022 31.585 32.500 0.178 0.000 0.723 1578 K HN 0.221 nan 8.250 nan 0.000 0.446 1579 F N 1.928 121.962 119.950 0.140 0.000 2.623 1579 F HA -0.016 4.494 4.527 -0.029 0.000 0.383 1579 F C 1.104 176.969 175.800 0.108 0.000 1.077 1579 F CA 0.295 58.362 58.000 0.112 0.000 1.268 1579 F CB 0.168 39.219 39.000 0.085 0.000 1.053 1579 F HN 0.208 nan 8.300 nan 0.000 0.571 1580 L N 3.822 124.783 121.223 -0.437 0.000 4.692 1580 L HA -0.276 4.046 4.340 -0.029 0.000 0.400 1580 L C -0.207 176.680 176.870 0.028 0.000 0.912 1580 L CA 1.976 56.532 54.840 -0.474 0.000 1.662 1580 L CB -2.010 39.600 42.059 -0.748 0.000 1.814 1580 L HN 0.992 nan 8.230 nan 0.000 0.580 1581 T N -3.005 111.651 114.554 0.171 0.000 3.328 1581 T HA 0.411 4.744 4.350 -0.029 0.000 0.080 1581 T C 0.766 175.778 174.700 0.520 0.000 0.538 1581 T CA 0.323 62.626 62.100 0.340 0.000 0.572 1581 T CB -0.910 68.077 68.868 0.197 0.000 1.025 1581 T HN 1.439 nan 8.240 nan 0.000 0.203 1582 G N 2.980 112.186 108.800 0.677 0.000 2.787 1582 G HA2 -0.244 3.699 3.960 -0.029 0.000 0.343 1582 G HA3 -0.244 3.699 3.960 -0.029 0.000 0.343 1582 G C 0.597 175.808 174.900 0.518 0.000 0.149 1582 G CA 1.519 47.032 45.100 0.688 0.000 1.222 1582 G HN 1.010 nan 8.290 nan 0.000 0.477 1583 H N 2.289 121.506 119.070 0.245 0.000 2.261 1583 H HA -0.110 4.428 4.556 -0.029 0.000 0.290 1583 H C -1.334 174.192 175.328 0.329 0.000 1.081 1583 H CA 0.765 56.928 56.048 0.193 0.000 1.196 1583 H CB -0.940 28.855 29.762 0.054 0.000 1.350 1583 H HN 0.539 nan 8.280 nan 0.000 0.498 1584 P HA 0.240 nan 4.420 nan 0.000 0.304 1584 P C -1.356 175.621 177.300 -0.539 0.000 1.385 1584 P CA -0.500 62.156 63.100 -0.740 0.000 0.896 1584 P CB 1.486 32.850 31.700 -0.559 0.000 0.958 1585 K N 2.655 122.594 120.400 -0.769 0.000 2.793 1585 K HA 0.601 4.904 4.320 -0.029 0.000 0.269 1585 K C 0.173 176.935 176.600 0.270 0.000 1.124 1585 K CA -0.698 55.667 56.287 0.130 0.000 1.074 1585 K CB 0.600 33.337 32.500 0.394 0.000 1.322 1585 K HN 0.602 nan 8.250 nan 0.000 0.532 1586 G N 2.125 110.994 108.800 0.114 0.000 3.050 1586 G HA2 -0.305 3.638 3.960 -0.029 0.000 0.234 1586 G HA3 -0.305 3.638 3.960 -0.029 0.000 0.234 1586 G C 0.878 175.803 174.900 0.041 0.000 1.521 1586 G CA 0.105 45.258 45.100 0.089 0.000 1.090 1586 G HN 0.860 nan 8.290 nan 0.000 0.556 1587 A N 1.313 124.120 122.820 -0.021 0.000 2.285 1587 A HA 0.319 4.622 4.320 -0.029 0.000 0.214 1587 A C 2.734 180.274 177.584 -0.073 0.000 1.188 1587 A CA 2.698 54.647 52.037 -0.146 0.000 0.707 1587 A CB -1.068 17.712 19.000 -0.367 0.000 0.771 1587 A HN 2.308 nan 8.150 nan 0.000 0.488 1588 A N -0.047 122.804 122.820 0.052 0.000 1.870 1588 A HA -0.030 4.273 4.320 -0.029 0.000 0.219 1588 A C 2.422 180.114 177.584 0.180 0.000 1.224 1588 A CA 2.355 54.365 52.037 -0.046 0.000 0.650 1588 A CB -1.585 17.200 19.000 -0.359 0.000 0.836 1588 A HN 0.851 nan 8.150 nan 0.000 0.454 1589 G N -1.119 107.750 108.800 0.116 0.000 2.666 1589 G HA2 -0.027 3.916 3.960 -0.029 0.000 0.215 1589 G HA3 -0.027 3.916 3.960 -0.029 0.000 0.215 1589 G C 1.865 176.872 174.900 0.178 0.000 1.294 1589 G CA 2.297 47.470 45.100 0.120 0.000 0.811 1589 G HN 1.233 nan 8.290 nan 0.000 0.594 1590 A N -0.427 122.478 122.820 0.142 0.000 1.984 1590 A HA -0.271 4.031 4.320 -0.029 0.000 0.224 1590 A C 2.191 179.972 177.584 0.328 0.000 1.256 1590 A CA 2.404 54.554 52.037 0.189 0.000 0.679 1590 A CB -1.020 18.073 19.000 0.155 0.000 0.829 1590 A HN 0.543 nan 8.150 nan 0.000 0.483 1591 W N -0.213 121.177 121.300 0.150 0.000 2.318 1591 W HA -0.222 4.420 4.660 -0.029 0.000 0.313 1591 W C 2.713 179.322 176.519 0.150 0.000 1.221 1591 W CA 1.757 59.200 57.345 0.163 0.000 1.266 1591 W CB -0.865 28.726 29.460 0.218 0.000 1.150 1591 W HN 0.430 nan 8.180 nan 0.000 0.496 1592 M N -1.290 118.541 119.600 0.383 0.000 2.132 1592 M HA -0.215 4.248 4.480 -0.029 0.000 0.263 1592 M C 2.124 178.525 176.300 0.168 0.000 1.065 1592 M CA 1.719 57.168 55.300 0.248 0.000 1.122 1592 M CB -1.035 31.704 32.600 0.232 0.000 1.365 1592 M HN -0.074 nan 8.290 nan 0.000 0.411 1593 M N 1.740 121.438 119.600 0.163 0.000 2.106 1593 M HA -0.194 4.269 4.480 -0.029 0.000 0.259 1593 M C 1.627 177.988 176.300 0.102 0.000 1.068 1593 M CA 1.903 57.264 55.300 0.102 0.000 1.100 1593 M CB -0.693 31.971 32.600 0.105 0.000 1.351 1593 M HN 0.190 nan 8.290 nan 0.000 0.404 1594 N N 0.117 118.945 118.700 0.214 0.000 2.058 1594 N HA -0.095 4.628 4.740 -0.029 0.000 0.191 1594 N C 1.805 177.419 175.510 0.173 0.000 1.037 1594 N CA 1.833 55.100 53.050 0.362 0.000 0.848 1594 N CB -1.007 37.664 38.487 0.308 0.000 1.021 1594 N HN 0.602 nan 8.380 nan 0.000 0.422 1595 G N 0.912 109.765 108.800 0.088 0.000 2.462 1595 G HA2 -0.148 3.795 3.960 -0.029 0.000 0.220 1595 G HA3 -0.148 3.795 3.960 -0.029 0.000 0.220 1595 G C 1.627 176.477 174.900 -0.083 0.000 1.121 1595 G CA 1.177 46.273 45.100 -0.006 0.000 0.758 1595 G HN 0.455 nan 8.290 nan 0.000 0.559 1596 A N 1.300 124.103 122.820 -0.028 0.000 1.827 1596 A HA 0.005 4.308 4.320 -0.029 0.000 0.215 1596 A C 2.405 179.901 177.584 -0.146 0.000 1.212 1596 A CA 1.536 53.539 52.037 -0.057 0.000 0.624 1596 A CB -0.817 18.166 19.000 -0.029 0.000 0.853 1596 A HN 0.321 nan 8.150 nan 0.000 0.450 1597 L N -1.136 119.969 121.223 -0.197 0.000 2.011 1597 L HA -0.397 3.925 4.340 -0.029 0.000 0.225 1597 L C 2.880 179.560 176.870 -0.317 0.000 1.084 1597 L CA 2.471 57.137 54.840 -0.290 0.000 0.791 1597 L CB -1.344 40.375 42.059 -0.566 0.000 0.898 1597 L HN 0.600 nan 8.230 nan 0.000 0.440 1598 Q N 0.214 119.770 119.800 -0.407 0.000 2.142 1598 Q HA -0.268 4.055 4.340 -0.029 0.000 0.213 1598 Q C 2.207 177.758 176.000 -0.749 0.000 1.004 1598 Q CA 2.947 58.325 55.803 -0.707 0.000 0.883 1598 Q CB -0.303 27.840 28.738 -0.992 0.000 0.939 1598 Q HN 0.774 nan 8.270 nan 0.000 0.413 1599 I N -2.072 118.217 120.570 -0.468 0.000 2.252 1599 I HA -0.161 3.991 4.170 -0.029 0.000 0.245 1599 I C 1.025 177.116 176.117 -0.043 0.000 1.102 1599 I CA 0.193 61.406 61.300 -0.145 0.000 1.385 1599 I CB -0.432 37.571 38.000 0.004 0.000 1.064 1599 I HN 0.043 nan 8.210 nan 0.000 0.414 1600 L N 1.687 122.881 121.223 -0.049 0.000 2.361 1600 L HA -0.025 4.298 4.340 -0.029 0.000 0.161 1600 L C 0.885 177.815 176.870 0.100 0.000 0.893 1600 L CA 0.682 55.561 54.840 0.065 0.000 1.513 1600 L CB -1.105 41.005 42.059 0.084 0.000 1.826 1600 L HN 0.398 nan 8.230 nan 0.000 0.453 1601 N N 0.197 119.031 118.700 0.224 0.000 2.700 1601 N HA -0.232 4.491 4.740 -0.029 0.000 0.265 1601 N C 0.377 176.000 175.510 0.190 0.000 0.975 1601 N CA 0.901 54.080 53.050 0.215 0.000 0.800 1601 N CB -0.987 37.571 38.487 0.119 0.000 0.908 1601 N HN 0.553 nan 8.380 nan 0.000 0.551 1602 S N -3.019 112.793 115.700 0.187 0.000 3.270 1602 S HA -0.235 4.218 4.470 -0.029 0.000 0.330 1602 S C 1.347 176.029 174.600 0.138 0.000 1.222 1602 S CA 1.154 59.433 58.200 0.131 0.000 0.971 1602 S CB -1.139 62.153 63.200 0.153 0.000 1.007 1602 S HN 0.902 nan 8.310 nan 0.000 0.614 1603 G N 0.148 109.024 108.800 0.126 0.000 2.479 1603 G HA2 0.492 4.434 3.960 -0.029 0.000 0.275 1603 G HA3 0.492 4.434 3.960 -0.029 0.000 0.275 1603 G C 0.416 175.463 174.900 0.246 0.000 1.421 1603 G CA 0.026 45.258 45.100 0.220 0.000 1.059 1603 G HN 0.301 nan 8.290 nan 0.000 0.535 1604 I N -0.574 120.234 120.570 0.396 0.000 4.030 1604 I HA 0.369 4.522 4.170 -0.029 0.000 0.248 1604 I C 1.804 178.055 176.117 0.223 0.000 1.284 1604 I CA -0.812 60.622 61.300 0.224 0.000 1.223 1604 I CB 0.176 38.262 38.000 0.143 0.000 1.446 1604 I HN 0.354 nan 8.210 nan 0.000 0.519 1605 I N 0.318 120.958 120.570 0.116 0.000 2.731 1605 I HA 0.133 4.286 4.170 -0.029 0.000 0.235 1605 I C -1.137 175.067 176.117 0.146 0.000 1.064 1605 I CA 1.037 62.390 61.300 0.090 0.000 1.439 1605 I CB -2.500 35.496 38.000 -0.006 0.000 1.255 1605 I HN 0.378 nan 8.210 nan 0.000 0.446 1606 P HA 0.253 nan 4.420 nan 0.000 0.323 1606 P C 1.097 178.370 177.300 -0.045 0.000 1.344 1606 P CA 1.083 64.154 63.100 -0.049 0.000 1.189 1606 P CB 2.127 33.770 31.700 -0.094 0.000 1.622 1607 G N 0.900 109.697 108.800 -0.004 0.000 2.270 1607 G HA2 -0.391 3.551 3.960 -0.029 0.000 0.268 1607 G HA3 -0.391 3.551 3.960 -0.029 0.000 0.268 1607 G C 0.711 175.677 174.900 0.110 0.000 0.982 1607 G CA 0.653 45.763 45.100 0.017 0.000 0.628 1607 G HN 0.605 nan 8.290 nan 0.000 0.544 1608 N N -0.503 118.248 118.700 0.086 0.000 4.418 1608 N HA -0.257 4.465 4.740 -0.029 0.000 0.271 1608 N C 0.462 176.113 175.510 0.236 0.000 0.876 1608 N CA 1.227 54.357 53.050 0.134 0.000 1.216 1608 N CB -0.121 38.399 38.487 0.054 0.000 0.754 1608 N HN 0.515 nan 8.380 nan 0.000 0.670 1609 R N 1.862 122.526 120.500 0.273 0.000 2.504 1609 R HA 0.012 4.334 4.340 -0.029 0.000 0.291 1609 R C 0.528 176.986 176.300 0.264 0.000 0.974 1609 R CA 0.633 56.907 56.100 0.289 0.000 1.077 1609 R CB -0.686 29.832 30.300 0.364 0.000 0.926 1609 R HN 0.579 nan 8.270 nan 0.000 0.407 1610 N N 1.887 120.626 118.700 0.065 0.000 2.268 1610 N HA 0.011 4.734 4.740 -0.029 0.000 0.256 1610 N C 0.497 175.935 175.510 -0.121 0.000 1.090 1610 N CA 0.515 53.514 53.050 -0.086 0.000 0.806 1610 N CB -0.370 38.178 38.487 0.101 0.000 1.644 1610 N HN 0.542 nan 8.380 nan 0.000 0.544 1611 A N 1.933 124.748 122.820 -0.009 0.000 5.477 1611 A HA -0.293 4.010 4.320 -0.029 0.000 0.985 1611 A C 0.328 177.884 177.584 -0.048 0.000 1.628 1611 A CA 1.818 53.854 52.037 -0.002 0.000 3.307 1611 A CB -1.214 17.792 19.000 0.010 0.000 1.703 1611 A HN 0.621 nan 8.150 nan 0.000 1.021 1612 D N -1.391 118.984 120.400 -0.041 0.000 2.828 1612 D HA -0.176 4.447 4.640 -0.029 0.000 0.241 1612 D C 0.193 176.455 176.300 -0.063 0.000 1.142 1612 D CA 1.965 55.925 54.000 -0.067 0.000 0.755 1612 D CB -1.509 39.232 40.800 -0.098 0.000 1.014 1612 D HN 1.748 nan 8.370 nan 0.000 0.420 1613 N N -0.742 117.936 118.700 -0.037 0.000 6.352 1613 N HA -0.298 4.425 4.740 -0.029 0.000 0.401 1613 N C 0.395 175.903 175.510 -0.003 0.000 0.961 1613 N CA 1.824 54.862 53.050 -0.019 0.000 1.984 1613 N CB -0.508 37.940 38.487 -0.065 0.000 0.720 1613 N HN 0.078 nan 8.380 nan 0.000 0.534 1614 V N -0.844 119.084 119.914 0.024 0.000 3.480 1614 V HA 0.295 4.398 4.120 -0.029 0.000 0.263 1614 V C 0.029 176.118 176.094 -0.008 0.000 1.442 1614 V CA 0.997 63.309 62.300 0.021 0.000 1.053 1614 V CB -0.449 31.452 31.823 0.130 0.000 0.846 1614 V HN 1.042 nan 8.190 nan 0.000 0.440 1615 D N 0.625 121.032 120.400 0.012 0.000 9.668 1615 D HA -0.150 4.473 4.640 -0.029 0.000 0.272 1615 D C 0.222 176.552 176.300 0.049 0.000 2.707 1615 D CA 0.529 54.534 54.000 0.008 0.000 2.597 1615 D CB -0.084 40.700 40.800 -0.026 0.000 1.005 1615 D HN 0.130 nan 8.370 nan 0.000 0.719 1616 K N 3.504 123.929 120.400 0.041 0.000 2.062 1616 K HA 0.050 4.353 4.320 -0.029 0.000 0.205 1616 K C 2.151 178.784 176.600 0.055 0.000 1.051 1616 K CA 1.576 57.895 56.287 0.053 0.000 0.941 1616 K CB -0.411 32.115 32.500 0.042 0.000 0.719 1616 K HN 0.615 nan 8.250 nan 0.000 0.440 1617 I N -0.809 119.786 120.570 0.043 0.000 2.874 1617 I HA -0.203 3.950 4.170 -0.029 0.000 0.271 1617 I C 0.613 176.769 176.117 0.066 0.000 1.263 1617 I CA 0.642 61.967 61.300 0.042 0.000 1.443 1617 I CB -0.339 37.678 38.000 0.028 0.000 1.100 1617 I HN -0.006 nan 8.210 nan 0.000 0.480 1618 L N 0.941 122.228 121.223 0.105 0.000 2.788 1618 L HA 0.265 4.588 4.340 -0.029 0.000 0.151 1618 L C 0.326 177.259 176.870 0.105 0.000 1.548 1618 L CA -0.444 54.505 54.840 0.183 0.000 2.184 1618 L CB -0.322 41.969 42.059 0.387 0.000 2.730 1618 L HN 0.214 nan 8.230 nan 0.000 0.588 1619 E N -0.021 120.229 120.200 0.083 0.000 5.777 1619 E HA -0.195 4.138 4.350 -0.029 0.000 0.177 1619 E C -0.741 175.797 176.600 -0.103 0.000 1.390 1619 E CA -0.024 56.361 56.400 -0.025 0.000 1.310 1619 E CB -0.769 28.935 29.700 0.007 0.000 0.995 1619 E HN 0.532 nan 8.360 nan 0.000 0.328 1620 Q N 0.016 119.687 119.800 -0.214 0.000 1.893 1620 Q HA 0.328 4.651 4.340 -0.029 0.000 0.151 1620 Q C -0.556 175.056 176.000 -0.646 0.000 0.546 1620 Q CA 0.203 55.740 55.803 -0.444 0.000 0.832 1620 Q CB 0.678 29.195 28.738 -0.370 0.000 1.005 1620 Q HN 0.340 nan 8.270 nan 0.000 0.281 1621 F N 2.841 122.726 119.950 -0.109 0.000 2.584 1621 F HA 0.336 4.846 4.527 -0.029 0.000 0.328 1621 F C -0.774 174.887 175.800 -0.232 0.000 1.407 1621 F CA -1.009 56.925 58.000 -0.110 0.000 1.145 1621 F CB 0.208 39.197 39.000 -0.020 0.000 1.440 1621 F HN 0.150 nan 8.300 nan 0.000 0.580 1622 E N -0.451 119.660 120.200 -0.148 0.000 8.730 1622 E HA -0.290 4.043 4.350 -0.029 0.000 0.455 1622 E C -2.093 174.237 176.600 -0.450 0.000 1.248 1622 E CA 1.151 57.384 56.400 -0.278 0.000 2.145 1622 E CB -0.497 29.173 29.700 -0.050 0.000 1.003 1622 E HN 0.311 nan 8.360 nan 0.000 0.378 1623 Y N 1.310 121.665 120.300 0.091 0.000 2.327 1623 Y HA 0.374 4.907 4.550 -0.029 0.000 0.325 1623 Y C 0.941 176.885 175.900 0.073 0.000 0.999 1623 Y CA -0.690 57.465 58.100 0.092 0.000 1.195 1623 Y CB 0.882 39.441 38.460 0.165 0.000 1.132 1623 Y HN 0.721 nan 8.280 nan 0.000 0.455 1624 V N 2.016 122.011 119.914 0.135 0.000 4.330 1624 V HA -0.144 3.959 4.120 -0.029 0.000 0.300 1624 V C 0.995 177.182 176.094 0.156 0.000 0.901 1624 V CA 1.455 63.804 62.300 0.082 0.000 0.979 1624 V CB 0.062 31.872 31.823 -0.021 0.000 1.151 1624 V HN 0.895 nan 8.190 nan 0.000 0.441 1625 L N -3.115 118.204 121.223 0.160 0.000 4.993 1625 L HA 0.344 4.667 4.340 -0.029 0.000 0.513 1625 L C -0.342 176.722 176.870 0.323 0.000 0.786 1625 L CA 0.674 55.650 54.840 0.227 0.000 2.129 1625 L CB -1.166 41.033 42.059 0.233 0.000 2.129 1625 L HN 1.629 nan 8.230 nan 0.000 0.597 1626 Y N -2.672 117.656 120.300 0.047 0.000 2.786 1626 Y HA 0.611 5.144 4.550 -0.029 0.000 0.365 1626 Y C -2.599 173.308 175.900 0.012 0.000 1.171 1626 Y CA -0.379 57.741 58.100 0.033 0.000 1.214 1626 Y CB -0.397 38.080 38.460 0.029 0.000 1.411 1626 Y HN -0.236 nan 8.280 nan 0.000 0.485 1627 P HA -0.385 nan 4.420 nan 0.000 0.237 1627 P C 0.372 177.418 177.300 -0.424 0.000 1.132 1627 P CA 3.907 66.856 63.100 -0.252 0.000 0.939 1627 P CB -0.231 31.395 31.700 -0.122 0.000 0.749 1628 S N -1.638 113.518 115.700 -0.908 0.000 3.488 1628 S HA -0.221 4.231 4.470 -0.029 0.000 0.492 1628 S C 0.303 174.691 174.600 -0.354 0.000 0.779 1628 S CA 0.551 58.372 58.200 -0.632 0.000 1.378 1628 S CB -1.922 61.083 63.200 -0.326 0.000 0.924 1628 S HN 0.331 nan 8.310 nan 0.000 0.719 1629 K N 2.396 122.602 120.400 -0.324 0.000 3.855 1629 K HA -0.160 4.143 4.320 -0.029 0.000 0.210 1629 K C 0.756 177.288 176.600 -0.113 0.000 0.483 1629 K CA 1.035 57.226 56.287 -0.161 0.000 0.707 1629 K CB -1.864 30.587 32.500 -0.081 0.000 1.200 1629 K HN 1.217 nan 8.250 nan 0.000 0.400 1630 T N -0.293 114.194 114.554 -0.111 0.000 0.749 1630 T HA -0.245 4.088 4.350 -0.029 0.000 0.750 1630 T C -0.056 174.620 174.700 -0.040 0.000 0.989 1630 T CA -0.076 61.992 62.100 -0.053 0.000 3.962 1630 T CB -0.393 68.463 68.868 -0.020 0.000 2.235 1630 T HN 0.357 nan 8.240 nan 0.000 0.384 1631 L N 5.181 126.383 121.223 -0.036 0.000 2.433 1631 L HA 0.178 4.501 4.340 -0.029 0.000 0.284 1631 L C 1.643 178.503 176.870 -0.017 0.000 1.120 1631 L CA -0.691 54.132 54.840 -0.029 0.000 0.879 1631 L CB 0.512 42.553 42.059 -0.030 0.000 1.232 1631 L HN 0.762 nan 8.230 nan 0.000 0.454 1632 K N 0.820 121.214 120.400 -0.011 0.000 2.001 1632 K HA -0.211 4.092 4.320 -0.029 0.000 0.214 1632 K C 1.965 178.559 176.600 -0.010 0.000 1.050 1632 K CA 2.103 58.389 56.287 -0.001 0.000 0.934 1632 K CB -0.794 31.709 32.500 0.004 0.000 0.718 1632 K HN 0.791 nan 8.250 nan 0.000 0.443 1633 T N -0.556 113.991 114.554 -0.012 0.000 2.529 1633 T HA -0.186 4.147 4.350 -0.029 0.000 0.261 1633 T C 1.150 175.833 174.700 -0.029 0.000 1.110 1633 T CA 1.218 63.309 62.100 -0.015 0.000 1.192 1633 T CB -0.820 68.042 68.868 -0.009 0.000 0.864 1633 T HN 0.144 nan 8.240 nan 0.000 0.407 1634 D N 0.523 120.907 120.400 -0.026 0.000 2.192 1634 D HA 0.398 5.021 4.640 -0.029 0.000 0.238 1634 D C 1.448 177.723 176.300 -0.042 0.000 1.348 1634 D CA 1.807 55.787 54.000 -0.033 0.000 0.938 1634 D CB -0.544 40.239 40.800 -0.029 0.000 1.256 1634 D HN 0.785 nan 8.370 nan 0.000 0.529 1635 G N -1.489 107.287 108.800 -0.040 0.000 3.031 1635 G HA2 -0.323 3.620 3.960 -0.029 0.000 0.289 1635 G HA3 -0.323 3.620 3.960 -0.029 0.000 0.289 1635 G C -0.091 174.767 174.900 -0.071 0.000 1.393 1635 G CA -0.099 44.981 45.100 -0.033 0.000 1.010 1635 G HN 0.875 nan 8.290 nan 0.000 0.579 1636 V N 2.529 122.370 119.914 -0.121 0.000 2.996 1636 V HA 0.197 4.299 4.120 -0.029 0.000 0.289 1636 V C 1.192 177.142 176.094 -0.239 0.000 1.171 1636 V CA 3.006 65.123 62.300 -0.305 0.000 1.298 1636 V CB -0.177 31.317 31.823 -0.549 0.000 0.803 1636 V HN 1.107 nan 8.190 nan 0.000 0.448 1637 R N 2.079 122.473 120.500 -0.178 0.000 4.470 1637 R HA 0.401 4.724 4.340 -0.029 0.000 0.088 1637 R C -0.118 176.107 176.300 -0.125 0.000 0.579 1637 R CA 0.109 56.101 56.100 -0.181 0.000 0.856 1637 R CB -0.303 29.944 30.300 -0.088 0.000 0.960 1637 R HN 0.653 nan 8.270 nan 0.000 0.357 1638 A N 0.099 122.875 122.820 -0.074 0.000 2.637 1638 A HA 0.762 5.064 4.320 -0.029 0.000 0.258 1638 A C 0.415 177.974 177.584 -0.042 0.000 1.250 1638 A CA 0.273 52.276 52.037 -0.057 0.000 0.931 1638 A CB 1.236 20.205 19.000 -0.052 0.000 1.488 1638 A HN 0.602 nan 8.150 nan 0.000 0.464 1639 V N -4.934 114.957 119.914 -0.038 0.000 5.258 1639 V HA 0.424 4.527 4.120 -0.029 0.000 0.122 1639 V C 0.666 176.741 176.094 -0.031 0.000 1.199 1639 V CA 0.753 63.037 62.300 -0.027 0.000 1.018 1639 V CB -0.843 30.964 31.823 -0.026 0.000 1.289 1639 V HN 2.242 nan 8.190 nan 0.000 0.656 1640 S N 1.988 117.663 115.700 -0.042 0.000 3.454 1640 S HA -0.115 4.338 4.470 -0.029 0.000 0.508 1640 S C 0.841 175.399 174.600 -0.069 0.000 0.738 1640 S CA 0.464 58.627 58.200 -0.062 0.000 1.383 1640 S CB -1.120 62.035 63.200 -0.075 0.000 0.945 1640 S HN 1.355 nan 8.310 nan 0.000 0.768 1641 I N 1.876 122.415 120.570 -0.052 0.000 2.036 1641 I HA 0.061 4.214 4.170 -0.029 0.000 0.231 1641 I C 1.208 177.263 176.117 -0.103 0.000 1.044 1641 I CA 1.898 63.181 61.300 -0.027 0.000 1.315 1641 I CB -2.435 35.568 38.000 0.005 0.000 1.051 1641 I HN 0.873 nan 8.210 nan 0.000 0.391 1642 T N 0.884 115.336 114.554 -0.170 0.000 0.583 1642 T HA 0.120 4.453 4.350 -0.029 0.000 0.773 1642 T C -0.499 173.963 174.700 -0.397 0.000 0.994 1642 T CA 0.065 61.961 62.100 -0.341 0.000 4.064 1642 T CB -0.736 67.859 68.868 -0.455 0.000 2.300 1642 T HN 1.118 nan 8.240 nan 0.000 0.398 1643 S N 1.105 116.401 115.700 -0.675 0.000 2.535 1643 S HA 0.830 5.283 4.470 -0.029 0.000 0.272 1643 S C -1.809 172.268 174.600 -0.872 0.000 1.149 1643 S CA -1.136 56.559 58.200 -0.842 0.000 0.888 1643 S CB 1.376 64.227 63.200 -0.582 0.000 1.110 1643 S HN 0.624 nan 8.310 nan 0.000 0.463 1644 F N 1.204 120.754 119.950 -0.667 0.000 2.539 1644 F HA 0.784 5.294 4.527 -0.029 0.000 0.328 1644 F C 0.733 176.295 175.800 -0.397 0.000 1.148 1644 F CA -0.327 57.451 58.000 -0.370 0.000 0.940 1644 F CB 2.085 40.962 39.000 -0.206 0.000 1.194 1644 F HN 1.056 nan 8.300 nan 0.000 0.438 1645 G N 1.563 110.279 108.800 -0.139 0.000 2.932 1645 G HA2 0.634 4.577 3.960 -0.029 0.000 0.283 1645 G HA3 0.634 4.577 3.960 -0.029 0.000 0.283 1645 G C -0.680 174.038 174.900 -0.303 0.000 1.336 1645 G CA -0.630 44.290 45.100 -0.299 0.000 1.056 1645 G HN 0.233 nan 8.290 nan 0.000 0.522 1646 F N -0.395 119.559 119.950 0.007 0.000 2.188 1646 F HA 0.433 4.942 4.527 -0.028 0.000 0.279 1646 F C 2.006 177.808 175.800 0.003 0.000 1.210 1646 F CA 0.832 58.827 58.000 -0.009 0.000 1.200 1646 F CB -0.204 38.783 39.000 -0.022 0.000 1.552 1646 F HN 0.776 nan 8.300 nan 0.000 0.507 1647 G N -0.413 108.520 108.800 0.222 0.000 2.225 1647 G HA2 -0.431 3.512 3.960 -0.029 0.000 0.272 1647 G HA3 -0.431 3.512 3.960 -0.029 0.000 0.272 1647 G C 0.588 175.531 174.900 0.072 0.000 0.996 1647 G CA 0.832 46.003 45.100 0.119 0.000 0.710 1647 G HN 0.798 nan 8.290 nan 0.000 0.522 1648 Q N -1.538 118.297 119.800 0.058 0.000 2.452 1648 Q HA -0.199 4.123 4.340 -0.029 0.000 0.318 1648 Q C -0.229 175.786 176.000 0.025 0.000 1.386 1648 Q CA 1.433 57.249 55.803 0.021 0.000 0.872 1648 Q CB -0.903 27.842 28.738 0.012 0.000 1.151 1648 Q HN 0.709 nan 8.270 nan 0.000 0.417 1649 K N -0.594 119.822 120.400 0.027 0.000 2.367 1649 K HA 0.364 4.666 4.320 -0.029 0.000 0.263 1649 K C 0.733 177.351 176.600 0.029 0.000 1.000 1649 K CA 0.314 56.614 56.287 0.022 0.000 0.891 1649 K CB 1.313 33.824 32.500 0.017 0.000 1.117 1649 K HN 0.370 nan 8.250 nan 0.000 0.443 1650 G N 1.828 110.665 108.800 0.061 0.000 2.808 1650 G HA2 0.091 4.034 3.960 -0.029 0.000 0.210 1650 G HA3 0.091 4.034 3.960 -0.029 0.000 0.210 1650 G C 0.510 175.386 174.900 -0.039 0.000 1.177 1650 G CA 0.223 45.395 45.100 0.120 0.000 0.853 1650 G HN 0.771 nan 8.290 nan 0.000 0.625 1651 G N 0.196 108.983 108.800 -0.021 0.000 2.862 1651 G HA2 0.098 4.041 3.960 -0.029 0.000 0.334 1651 G HA3 0.098 4.041 3.960 -0.029 0.000 0.334 1651 G C -0.152 174.673 174.900 -0.126 0.000 0.154 1651 G CA 1.026 46.090 45.100 -0.059 0.000 1.240 1651 G HN 0.745 nan 8.290 nan 0.000 0.465 1652 Q N 1.002 120.728 119.800 -0.123 0.000 2.413 1652 Q HA 0.815 5.138 4.340 -0.029 0.000 0.276 1652 Q C -0.448 175.495 176.000 -0.094 0.000 1.099 1652 Q CA -0.128 55.582 55.803 -0.155 0.000 0.814 1652 Q CB 2.107 30.716 28.738 -0.214 0.000 1.379 1652 Q HN 1.716 nan 8.270 nan 0.000 0.436 1653 A N 3.619 126.389 122.820 -0.083 0.000 2.449 1653 A HA 0.773 5.076 4.320 -0.029 0.000 0.302 1653 A C -1.520 176.036 177.584 -0.048 0.000 1.048 1653 A CA -0.731 51.275 52.037 -0.051 0.000 0.708 1653 A CB 1.030 20.010 19.000 -0.033 0.000 1.274 1653 A HN 0.850 nan 8.150 nan 0.000 0.410 1654 I N 1.937 122.484 120.570 -0.038 0.000 2.648 1654 I HA 0.794 4.947 4.170 -0.029 0.000 0.304 1654 I C -1.294 174.807 176.117 -0.027 0.000 1.009 1654 I CA -0.908 60.369 61.300 -0.038 0.000 1.114 1654 I CB 1.828 39.800 38.000 -0.046 0.000 1.293 1654 I HN 0.494 nan 8.210 nan 0.000 0.449 1655 V N 6.638 126.534 119.914 -0.030 0.000 3.074 1655 V HA 0.612 4.715 4.120 -0.029 0.000 0.314 1655 V C -0.953 175.121 176.094 -0.033 0.000 1.117 1655 V CA -0.479 61.806 62.300 -0.025 0.000 1.014 1655 V CB 2.463 34.266 31.823 -0.034 0.000 1.057 1655 V HN 0.556 nan 8.190 nan 0.000 0.438 1656 V N 2.405 122.304 119.914 -0.025 0.000 3.001 1656 V HA 0.582 4.685 4.120 -0.029 0.000 0.314 1656 V C -0.275 175.782 176.094 -0.062 0.000 1.099 1656 V CA -0.608 61.664 62.300 -0.047 0.000 0.989 1656 V CB 1.938 33.746 31.823 -0.024 0.000 1.040 1656 V HN 1.080 nan 8.190 nan 0.000 0.434 1657 H N 6.539 125.465 119.070 -0.241 0.000 2.998 1657 H HA 0.260 4.799 4.556 -0.029 0.000 0.353 1657 H C -2.165 173.073 175.328 -0.149 0.000 1.099 1657 H CA 0.303 56.217 56.048 -0.223 0.000 1.393 1657 H CB 1.043 30.602 29.762 -0.338 0.000 1.343 1657 H HN 0.574 nan 8.280 nan 0.000 0.609 1658 P HA -0.001 nan 4.420 nan 0.000 0.339 1658 P C 0.016 177.273 177.300 -0.072 0.000 1.376 1658 P CA 0.339 63.251 63.100 -0.313 0.000 0.797 1658 P CB 0.655 32.184 31.700 -0.285 0.000 1.872 1659 D N -2.705 117.826 120.400 0.218 0.000 3.475 1659 D HA -0.250 4.373 4.640 -0.029 0.000 0.191 1659 D C 1.371 178.004 176.300 0.555 0.000 1.523 1659 D CA 1.940 56.334 54.000 0.657 0.000 2.228 1659 D CB -2.054 39.092 40.800 0.577 0.000 1.310 1659 D HN 0.346 nan 8.370 nan 0.000 0.413 1660 Y N 0.466 120.866 120.300 0.165 0.000 2.716 1660 Y HA 0.138 4.671 4.550 -0.029 0.000 0.302 1660 Y C 1.599 177.391 175.900 -0.181 0.000 1.160 1660 Y CA 0.498 58.660 58.100 0.102 0.000 1.362 1660 Y CB -0.307 38.312 38.460 0.266 0.000 0.988 1660 Y HN 0.224 nan 8.280 nan 0.000 0.546 1661 L N -0.123 121.007 121.223 -0.155 0.000 2.506 1661 L HA 0.323 4.646 4.340 -0.029 0.000 0.247 1661 L C -1.701 174.694 176.870 -0.790 0.000 1.141 1661 L CA -0.237 54.311 54.840 -0.488 0.000 0.973 1661 L CB -0.049 41.693 42.059 -0.528 0.000 1.319 1661 L HN -0.002 nan 8.230 nan 0.000 0.455 1662 Y N 2.386 122.632 120.300 -0.090 0.000 2.640 1662 Y HA 0.462 4.995 4.550 -0.029 0.000 0.295 1662 Y C 0.604 176.456 175.900 -0.080 0.000 1.023 1662 Y CA -0.585 57.484 58.100 -0.052 0.000 1.163 1662 Y CB 0.882 39.337 38.460 -0.009 0.000 1.145 1662 Y HN 0.442 nan 8.280 nan 0.000 0.609 1663 G N 0.208 108.994 108.800 -0.023 0.000 2.641 1663 G HA2 0.574 4.517 3.960 -0.029 0.000 0.239 1663 G HA3 0.574 4.517 3.960 -0.029 0.000 0.239 1663 G C 0.157 175.059 174.900 0.003 0.000 1.402 1663 G CA -0.480 44.603 45.100 -0.028 0.000 1.046 1663 G HN 0.892 nan 8.290 nan 0.000 0.565 1664 A N -1.494 121.321 122.820 -0.009 0.000 2.360 1664 A HA -0.041 4.262 4.320 -0.029 0.000 0.289 1664 A C 1.109 178.720 177.584 0.045 0.000 1.437 1664 A CA 0.999 53.041 52.037 0.010 0.000 0.734 1664 A CB -2.131 16.869 19.000 -0.001 0.000 1.145 1664 A HN 1.897 nan 8.150 nan 0.000 0.374 1665 I N -2.770 117.814 120.570 0.024 0.000 4.546 1665 I HA -0.357 3.795 4.170 -0.029 0.000 0.128 1665 I C 1.092 177.202 176.117 -0.013 0.000 1.403 1665 I CA 1.705 63.017 61.300 0.021 0.000 0.462 1665 I CB -1.318 36.714 38.000 0.054 0.000 1.071 1665 I HN 1.984 nan 8.210 nan 0.000 0.309 1666 T N 0.418 114.950 114.554 -0.036 0.000 5.266 1666 T HA 0.077 4.410 4.350 -0.029 0.000 0.266 1666 T C -0.716 173.866 174.700 -0.197 0.000 2.221 1666 T CA 0.753 62.703 62.100 -0.249 0.000 3.668 1666 T CB -1.132 67.618 68.868 -0.197 0.000 0.163 1666 T HN 0.724 nan 8.240 nan 0.000 0.188 1667 E N -0.363 119.854 120.200 0.029 0.000 2.442 1667 E HA 0.459 4.792 4.350 -0.029 0.000 0.278 1667 E C -0.048 176.666 176.600 0.191 0.000 1.082 1667 E CA -0.463 56.021 56.400 0.139 0.000 0.861 1667 E CB 0.753 30.493 29.700 0.067 0.000 1.462 1667 E HN 0.075 nan 8.360 nan 0.000 0.458 1668 D N 0.445 120.945 120.400 0.166 0.000 4.002 1668 D HA -0.305 4.318 4.640 -0.029 0.000 0.429 1668 D C 0.762 177.148 176.300 0.144 0.000 0.498 1668 D CA 2.011 56.087 54.000 0.126 0.000 1.251 1668 D CB -0.289 40.557 40.800 0.076 0.000 0.472 1668 D HN 0.142 nan 8.370 nan 0.000 0.263 1669 R N 0.845 121.419 120.500 0.124 0.000 4.874 1669 R HA 0.071 4.394 4.340 -0.029 0.000 0.173 1669 R C -0.259 176.167 176.300 0.209 0.000 2.034 1669 R CA 0.595 56.763 56.100 0.114 0.000 1.630 1669 R CB -0.945 29.396 30.300 0.069 0.000 1.372 1669 R HN 0.726 nan 8.270 nan 0.000 0.843 1670 Y N -1.405 118.946 120.300 0.084 0.000 3.014 1670 Y HA 0.018 4.551 4.550 -0.029 0.000 0.219 1670 Y C 0.632 176.618 175.900 0.144 0.000 1.019 1670 Y CA -0.179 57.993 58.100 0.121 0.000 1.520 1670 Y CB -0.173 38.335 38.460 0.079 0.000 1.377 1670 Y HN 0.117 nan 8.280 nan 0.000 0.425 1671 N N 2.036 120.900 118.700 0.274 0.000 2.453 1671 N HA -0.104 4.618 4.740 -0.029 0.000 0.183 1671 N C 1.458 176.995 175.510 0.045 0.000 1.041 1671 N CA 1.424 54.566 53.050 0.152 0.000 0.900 1671 N CB -0.104 38.561 38.487 0.296 0.000 0.961 1671 N HN 0.682 nan 8.380 nan 0.000 0.443 1672 E N -0.309 119.930 120.200 0.065 0.000 2.072 1672 E HA -0.187 4.146 4.350 -0.029 0.000 0.190 1672 E C 1.549 178.158 176.600 0.014 0.000 0.982 1672 E CA 0.569 56.993 56.400 0.039 0.000 0.803 1672 E CB -0.023 29.706 29.700 0.049 0.000 0.755 1672 E HN 0.311 nan 8.360 nan 0.000 0.453 1673 Y N 1.589 121.801 120.300 -0.147 0.000 2.044 1673 Y HA -0.281 4.252 4.550 -0.029 0.000 0.264 1673 Y C 2.235 177.994 175.900 -0.235 0.000 1.111 1673 Y CA 1.831 59.815 58.100 -0.195 0.000 1.088 1673 Y CB -0.873 37.433 38.460 -0.257 0.000 0.981 1673 Y HN -0.154 nan 8.280 nan 0.000 0.478 1674 V N 1.105 120.725 119.914 -0.490 0.000 2.467 1674 V HA -0.468 3.635 4.120 -0.029 0.000 0.266 1674 V C 2.408 178.288 176.094 -0.357 0.000 1.124 1674 V CA 1.934 63.906 62.300 -0.547 0.000 1.121 1674 V CB -2.086 29.433 31.823 -0.507 0.000 0.695 1674 V HN 0.675 nan 8.190 nan 0.000 0.466 1675 A N -0.309 122.372 122.820 -0.232 0.000 1.832 1675 A HA -0.136 4.167 4.320 -0.029 0.000 0.214 1675 A C 2.215 179.698 177.584 -0.169 0.000 1.242 1675 A CA 1.577 53.530 52.037 -0.140 0.000 0.603 1675 A CB -0.528 18.431 19.000 -0.069 0.000 0.902 1675 A HN 0.470 nan 8.150 nan 0.000 0.455 1676 K N -0.346 119.959 120.400 -0.159 0.000 2.144 1676 K HA -0.158 4.144 4.320 -0.029 0.000 0.209 1676 K C 1.822 178.305 176.600 -0.195 0.000 1.047 1676 K CA 1.514 57.720 56.287 -0.134 0.000 0.927 1676 K CB -0.497 31.954 32.500 -0.083 0.000 0.716 1676 K HN 0.264 nan 8.250 nan 0.000 0.454 1677 V N 0.490 120.179 119.914 -0.374 0.000 2.307 1677 V HA -0.197 3.906 4.120 -0.029 0.000 0.245 1677 V C 2.037 177.990 176.094 -0.235 0.000 1.045 1677 V CA 1.839 63.904 62.300 -0.392 0.000 1.024 1677 V CB -0.131 31.262 31.823 -0.717 0.000 0.651 1677 V HN 0.308 nan 8.190 nan 0.000 0.449 1678 S N -0.555 115.015 115.700 -0.218 0.000 2.727 1678 S HA 0.143 4.596 4.470 -0.029 0.000 0.226 1678 S C 1.222 175.773 174.600 -0.081 0.000 0.963 1678 S CA 0.626 58.748 58.200 -0.129 0.000 0.950 1678 S CB -0.250 62.883 63.200 -0.112 0.000 0.779 1678 S HN 0.573 nan 8.310 nan 0.000 0.532 1679 A N 0.243 123.011 122.820 -0.087 0.000 2.564 1679 A HA 0.489 4.791 4.320 -0.029 0.000 0.279 1679 A C 1.574 179.139 177.584 -0.032 0.000 1.232 1679 A CA -0.518 51.490 52.037 -0.048 0.000 0.950 1679 A CB 0.233 19.204 19.000 -0.048 0.000 1.138 1679 A HN 0.336 nan 8.150 nan 0.000 0.526 1680 R N 0.278 120.756 120.500 -0.036 0.000 4.019 1680 R HA 0.193 4.515 4.340 -0.029 0.000 0.140 1680 R C -0.460 175.853 176.300 0.021 0.000 1.486 1680 R CA 0.042 56.137 56.100 -0.009 0.000 1.119 1680 R CB -0.531 29.750 30.300 -0.031 0.000 1.357 1680 R HN 0.484 nan 8.270 nan 0.000 0.449 1681 E N 2.954 123.151 120.200 -0.005 0.000 2.299 1681 E HA 0.091 4.424 4.350 -0.029 0.000 0.272 1681 E C -0.417 176.193 176.600 0.017 0.000 1.043 1681 E CA 0.221 56.627 56.400 0.009 0.000 0.895 1681 E CB 0.456 30.136 29.700 -0.033 0.000 1.011 1681 E HN 0.181 nan 8.360 nan 0.000 0.432 1682 K N 0.908 121.364 120.400 0.093 0.000 3.509 1682 K HA -0.150 4.153 4.320 -0.029 0.000 0.302 1682 K C 0.382 177.067 176.600 0.143 0.000 1.355 1682 K CA 0.944 57.340 56.287 0.182 0.000 0.953 1682 K CB -1.547 30.993 32.500 0.067 0.000 1.321 1682 K HN 0.428 nan 8.250 nan 0.000 0.461 1683 S N -1.615 114.149 115.700 0.108 0.000 2.651 1683 S HA 0.336 4.788 4.470 -0.029 0.000 0.259 1683 S C 0.989 175.645 174.600 0.093 0.000 1.073 1683 S CA 0.055 58.295 58.200 0.066 0.000 1.090 1683 S CB 1.369 64.586 63.200 0.028 0.000 1.042 1683 S HN 0.412 nan 8.310 nan 0.000 0.581 1684 A N -0.025 122.884 122.820 0.147 0.000 2.508 1684 A HA 0.359 4.662 4.320 -0.029 0.000 0.250 1684 A C 1.185 178.955 177.584 0.310 0.000 1.208 1684 A CA -0.162 52.004 52.037 0.216 0.000 0.960 1684 A CB -0.347 18.769 19.000 0.193 0.000 1.099 1684 A HN 0.391 nan 8.150 nan 0.000 0.542 1685 Y N 1.582 121.932 120.300 0.084 0.000 2.497 1685 Y HA -0.051 4.482 4.550 -0.029 0.000 0.292 1685 Y C 1.752 177.692 175.900 0.066 0.000 1.137 1685 Y CA 1.510 59.626 58.100 0.026 0.000 1.285 1685 Y CB -0.261 38.158 38.460 -0.068 0.000 0.991 1685 Y HN 0.388 nan 8.280 nan 0.000 0.556 1686 K N -0.287 120.150 120.400 0.063 0.000 1.979 1686 K HA -0.203 4.100 4.320 -0.029 0.000 0.213 1686 K C 2.044 178.728 176.600 0.140 0.000 1.036 1686 K CA 1.350 57.622 56.287 -0.025 0.000 0.954 1686 K CB -1.135 31.380 32.500 0.025 0.000 0.743 1686 K HN 0.170 nan 8.250 nan 0.000 0.443 1687 F N 1.599 121.593 119.950 0.073 0.000 2.076 1687 F HA -0.343 4.167 4.527 -0.029 0.000 0.294 1687 F C 1.847 177.728 175.800 0.135 0.000 1.078 1687 F CA 2.053 60.112 58.000 0.099 0.000 1.247 1687 F CB -0.849 38.223 39.000 0.120 0.000 0.984 1687 F HN 0.291 nan 8.300 nan 0.000 0.491 1688 F N 0.546 120.486 119.950 -0.016 0.000 1.980 1688 F HA -0.207 4.303 4.527 -0.029 0.000 0.298 1688 F C 2.775 178.517 175.800 -0.097 0.000 1.255 1688 F CA 2.387 60.329 58.000 -0.097 0.000 1.179 1688 F CB -1.534 37.517 39.000 0.086 0.000 0.957 1688 F HN 0.066 nan 8.300 nan 0.000 0.507 1689 H N -0.391 118.706 119.070 0.046 0.000 2.421 1689 H HA -0.339 4.200 4.556 -0.029 0.000 0.287 1689 H C 2.002 177.083 175.328 -0.412 0.000 1.129 1689 H CA 1.397 57.327 56.048 -0.197 0.000 1.179 1689 H CB -0.499 29.267 29.762 0.006 0.000 1.352 1689 H HN 0.406 nan 8.280 nan 0.000 0.488 1690 N N 0.123 118.692 118.700 -0.217 0.000 1.997 1690 N HA -0.146 4.577 4.740 -0.029 0.000 0.198 1690 N C 2.315 177.581 175.510 -0.406 0.000 1.070 1690 N CA 2.134 55.002 53.050 -0.304 0.000 0.864 1690 N CB -0.918 37.475 38.487 -0.156 0.000 1.066 1690 N HN 0.278 nan 8.380 nan 0.000 0.425 1691 G N 0.640 109.172 108.800 -0.446 0.000 2.513 1691 G HA2 -0.365 3.578 3.960 -0.029 0.000 0.219 1691 G HA3 -0.365 3.578 3.960 -0.029 0.000 0.219 1691 G C 1.560 176.263 174.900 -0.328 0.000 1.160 1691 G CA 1.276 46.158 45.100 -0.363 0.000 0.767 1691 G HN 0.514 nan 8.290 nan 0.000 0.571 1692 M N 0.814 120.032 119.600 -0.637 0.000 2.144 1692 M HA -0.125 4.338 4.480 -0.029 0.000 0.260 1692 M C 2.499 178.430 176.300 -0.614 0.000 1.067 1692 M CA 2.138 56.898 55.300 -0.899 0.000 1.095 1692 M CB -0.241 31.530 32.600 -1.381 0.000 1.365 1692 M HN 0.509 nan 8.290 nan 0.000 0.406 1693 I N -3.111 117.186 120.570 -0.456 0.000 2.585 1693 I HA -0.130 4.023 4.170 -0.029 0.000 0.254 1693 I C 0.866 177.032 176.117 0.081 0.000 1.129 1693 I CA 0.873 62.072 61.300 -0.169 0.000 1.455 1693 I CB -0.571 37.282 38.000 -0.245 0.000 1.111 1693 I HN 0.113 nan 8.210 nan 0.000 0.433 1694 Y N 1.716 122.008 120.300 -0.013 0.000 2.485 1694 Y HA 0.311 4.843 4.550 -0.029 0.000 0.260 1694 Y C 0.092 176.014 175.900 0.038 0.000 1.173 1694 Y CA -1.515 56.559 58.100 -0.043 0.000 1.252 1694 Y CB -1.311 37.080 38.460 -0.114 0.000 1.123 1694 Y HN 0.308 nan 8.280 nan 0.000 0.524 1695 N N 0.646 119.489 118.700 0.239 0.000 2.671 1695 N HA -0.220 4.503 4.740 -0.029 0.000 0.261 1695 N C 0.498 176.128 175.510 0.201 0.000 1.053 1695 N CA 0.741 53.958 53.050 0.277 0.000 0.732 1695 N CB -0.726 37.920 38.487 0.265 0.000 0.887 1695 N HN 0.391 nan 8.380 nan 0.000 0.546 1696 K N -0.446 120.027 120.400 0.121 0.000 2.402 1696 K HA 0.174 4.477 4.320 -0.029 0.000 0.203 1696 K C -0.247 176.399 176.600 0.076 0.000 1.077 1696 K CA -0.261 56.086 56.287 0.101 0.000 1.051 1696 K CB 0.465 33.012 32.500 0.078 0.000 0.907 1696 K HN 0.136 nan 8.250 nan 0.000 0.554 1697 L N 1.961 123.192 121.223 0.014 0.000 2.578 1697 L HA 0.046 4.368 4.340 -0.029 0.000 0.279 1697 L C 0.151 177.199 176.870 0.297 0.000 1.227 1697 L CA 0.641 55.492 54.840 0.017 0.000 0.900 1697 L CB -0.899 41.143 42.059 -0.028 0.000 1.144 1697 L HN 0.128 nan 8.230 nan 0.000 0.496 1698 F N 2.581 122.620 119.950 0.148 0.000 2.149 1698 F HA 0.066 4.576 4.527 -0.029 0.000 0.497 1698 F C -0.812 175.078 175.800 0.151 0.000 1.282 1698 F CA 0.243 58.330 58.000 0.145 0.000 1.585 1698 F CB -0.374 38.686 39.000 0.101 0.000 2.847 1698 F HN 0.555 nan 8.300 nan 0.000 0.683 1699 V N 1.870 121.363 119.914 -0.703 0.000 3.204 1699 V HA 0.804 4.907 4.120 -0.029 0.000 0.298 1699 V C 0.157 175.889 176.094 -0.602 0.000 1.328 1699 V CA -0.535 61.490 62.300 -0.459 0.000 1.035 1699 V CB 1.109 32.881 31.823 -0.084 0.000 1.095 1699 V HN 1.175 nan 8.190 nan 0.000 0.442 1700 S N 1.720 117.232 115.700 -0.314 0.000 2.647 1700 S HA 0.366 4.819 4.470 -0.029 0.000 0.251 1700 S C 0.635 175.172 174.600 -0.105 0.000 1.320 1700 S CA 0.421 58.508 58.200 -0.190 0.000 0.968 1700 S CB 0.166 63.319 63.200 -0.077 0.000 1.005 1700 S HN 1.092 nan 8.310 nan 0.000 0.576 1701 K N -0.620 119.757 120.400 -0.038 0.000 3.157 1701 K HA 0.210 4.513 4.320 -0.029 0.000 0.227 1701 K C -0.791 175.777 176.600 -0.053 0.000 2.067 1701 K CA 0.234 56.549 56.287 0.047 0.000 1.439 1701 K CB -0.854 31.744 32.500 0.165 0.000 2.372 1701 K HN 0.531 nan 8.250 nan 0.000 0.557 1702 E N 1.061 121.216 120.200 -0.074 0.000 8.020 1702 E HA -0.221 4.112 4.350 -0.029 0.000 0.466 1702 E C -0.136 176.308 176.600 -0.260 0.000 0.748 1702 E CA 1.597 57.849 56.400 -0.247 0.000 1.303 1702 E CB -1.347 28.032 29.700 -0.536 0.000 0.984 1702 E HN 0.678 nan 8.360 nan 0.000 0.337 1703 H N -1.001 118.118 119.070 0.081 0.000 4.829 1703 H HA -0.217 4.321 4.556 -0.029 0.000 0.080 1703 H C 1.043 176.448 175.328 0.129 0.000 0.582 1703 H CA 1.903 57.993 56.048 0.069 0.000 1.075 1703 H CB -1.397 28.385 29.762 0.033 0.000 0.466 1703 H HN 1.866 nan 8.280 nan 0.000 0.746 1704 A N -0.070 122.930 122.820 0.299 0.000 6.506 1704 A HA -0.206 4.097 4.320 -0.029 0.000 0.234 1704 A C -1.447 176.288 177.584 0.251 0.000 2.257 1704 A CA 0.659 52.947 52.037 0.418 0.000 0.695 1704 A CB -1.533 17.727 19.000 0.434 0.000 0.929 1704 A HN 0.379 nan 8.150 nan 0.000 0.364 1705 P HA -0.046 nan 4.420 nan 0.000 0.208 1705 P C 1.068 178.371 177.300 0.006 0.000 1.200 1705 P CA 2.297 65.323 63.100 -0.123 0.000 0.924 1705 P CB -0.523 30.905 31.700 -0.453 0.000 0.774 1706 Y N 0.675 120.897 120.300 -0.130 0.000 2.156 1706 Y HA 0.335 4.868 4.550 -0.029 0.000 0.403 1706 Y C 1.130 176.999 175.900 -0.052 0.000 1.239 1706 Y CA -0.666 57.368 58.100 -0.110 0.000 1.824 1706 Y CB -2.075 36.291 38.460 -0.158 0.000 1.526 1706 Y HN 0.093 nan 8.280 nan 0.000 0.750 1707 T N -1.570 113.093 114.554 0.182 0.000 3.337 1707 T HA 0.358 4.690 4.350 -0.029 0.000 0.321 1707 T C -0.399 174.307 174.700 0.009 0.000 0.852 1707 T CA -0.065 62.068 62.100 0.055 0.000 1.242 1707 T CB -0.558 68.330 68.868 0.034 0.000 0.979 1707 T HN 0.629 nan 8.240 nan 0.000 0.508 1708 D N 2.134 122.506 120.400 -0.047 0.000 4.058 1708 D HA -0.367 4.256 4.640 -0.029 0.000 0.383 1708 D C 1.470 177.766 176.300 -0.005 0.000 1.056 1708 D CA 2.668 56.642 54.000 -0.043 0.000 1.552 1708 D CB -0.626 40.156 40.800 -0.029 0.000 0.788 1708 D HN 0.808 nan 8.370 nan 0.000 0.636 1709 E N 0.224 120.428 120.200 0.007 0.000 2.085 1709 E HA -0.133 4.200 4.350 -0.029 0.000 0.194 1709 E C 2.406 179.030 176.600 0.040 0.000 0.994 1709 E CA 1.406 57.818 56.400 0.020 0.000 0.801 1709 E CB -0.244 29.465 29.700 0.015 0.000 0.743 1709 E HN 0.465 nan 8.360 nan 0.000 0.453 1710 L N 0.677 121.932 121.223 0.053 0.000 2.209 1710 L HA -0.019 4.304 4.340 -0.029 0.000 0.207 1710 L C 2.512 179.436 176.870 0.090 0.000 1.094 1710 L CA 0.490 55.372 54.840 0.070 0.000 0.790 1710 L CB -0.682 41.423 42.059 0.077 0.000 0.932 1710 L HN 0.135 nan 8.230 nan 0.000 0.447 1711 E N 1.453 121.708 120.200 0.091 0.000 2.223 1711 E HA -0.374 3.958 4.350 -0.029 0.000 0.249 1711 E C 1.792 178.516 176.600 0.207 0.000 1.008 1711 E CA 2.662 59.115 56.400 0.087 0.000 0.975 1711 E CB -0.170 29.500 29.700 -0.049 0.000 0.901 1711 E HN 0.459 nan 8.360 nan 0.000 0.537 1712 E N 0.269 120.636 120.200 0.279 0.000 2.196 1712 E HA -0.308 4.025 4.350 -0.029 0.000 0.222 1712 E C 1.905 178.675 176.600 0.283 0.000 1.072 1712 E CA 2.040 58.634 56.400 0.323 0.000 0.902 1712 E CB -0.463 29.326 29.700 0.148 0.000 0.780 1712 E HN 0.467 nan 8.360 nan 0.000 0.467 1713 D N 0.326 120.817 120.400 0.153 0.000 2.078 1713 D HA -0.131 4.492 4.640 -0.029 0.000 0.193 1713 D C 2.275 178.619 176.300 0.073 0.000 0.990 1713 D CA 1.419 55.478 54.000 0.100 0.000 0.827 1713 D CB -0.463 40.374 40.800 0.062 0.000 0.975 1713 D HN 0.057 nan 8.370 nan 0.000 0.451 1714 V N 0.926 120.843 119.914 0.005 0.000 2.363 1714 V HA -0.319 3.783 4.120 -0.029 0.000 0.254 1714 V C 2.129 178.168 176.094 -0.090 0.000 1.074 1714 V CA 1.661 63.900 62.300 -0.103 0.000 1.069 1714 V CB -1.094 30.587 31.823 -0.237 0.000 0.659 1714 V HN 0.209 nan 8.190 nan 0.000 0.455 1715 Y N 0.042 120.410 120.300 0.112 0.000 2.113 1715 Y HA -0.121 4.412 4.550 -0.029 0.000 0.269 1715 Y C 2.775 178.707 175.900 0.053 0.000 1.098 1715 Y CA 1.949 60.106 58.100 0.095 0.000 1.083 1715 Y CB -1.141 37.383 38.460 0.106 0.000 0.997 1715 Y HN 0.178 nan 8.280 nan 0.000 0.476 1716 L N 0.689 122.054 121.223 0.238 0.000 2.034 1716 L HA -0.203 4.120 4.340 -0.029 0.000 0.217 1716 L C 1.188 178.100 176.870 0.070 0.000 1.077 1716 L CA 2.502 57.416 54.840 0.123 0.000 0.769 1716 L CB -2.521 39.597 42.059 0.097 0.000 0.890 1716 L HN 0.457 nan 8.230 nan 0.000 0.435 1717 D N -0.597 119.835 120.400 0.054 0.000 2.383 1717 D HA 0.465 5.088 4.640 -0.029 0.000 0.245 1717 D C -0.297 176.005 176.300 0.003 0.000 1.263 1717 D CA -0.531 53.479 54.000 0.016 0.000 0.936 1717 D CB -0.674 40.130 40.800 0.007 0.000 1.053 1717 D HN 0.698 nan 8.370 nan 0.000 0.507 1718 P HA 0.131 nan 4.420 nan 0.000 0.219 1718 P C 1.328 178.610 177.300 -0.029 0.000 1.145 1718 P CA 1.908 64.996 63.100 -0.020 0.000 0.813 1718 P CB -1.051 30.617 31.700 -0.053 0.000 0.771 1719 L N -1.033 120.169 121.223 -0.036 0.000 2.894 1719 L HA 0.454 4.777 4.340 -0.029 0.000 0.286 1719 L C 1.271 178.121 176.870 -0.034 0.000 1.077 1719 L CA 0.081 54.899 54.840 -0.037 0.000 1.070 1719 L CB -2.400 39.641 42.059 -0.030 0.000 1.470 1719 L HN 0.670 nan 8.230 nan 0.000 0.452 1720 A N 3.224 126.021 122.820 -0.039 0.000 2.227 1720 A HA 0.851 5.154 4.320 -0.029 0.000 0.279 1720 A C 1.605 179.167 177.584 -0.037 0.000 1.367 1720 A CA 1.561 53.573 52.037 -0.041 0.000 0.824 1720 A CB -0.435 18.516 19.000 -0.083 0.000 1.214 1720 A HN 2.879 nan 8.150 nan 0.000 0.514 1721 R N -3.693 116.788 120.500 -0.032 0.000 3.156 1721 R HA 0.279 4.601 4.340 -0.029 0.000 0.569 1721 R C -0.137 176.159 176.300 -0.006 0.000 0.963 1721 R CA 1.791 57.888 56.100 -0.005 0.000 1.718 1721 R CB -2.478 27.805 30.300 -0.028 0.000 1.656 1721 R HN 2.659 nan 8.270 nan 0.000 0.549 1722 V N -0.713 119.208 119.914 0.013 0.000 2.733 1722 V HA 0.945 5.047 4.120 -0.029 0.000 0.306 1722 V C 0.490 176.561 176.094 -0.038 0.000 1.084 1722 V CA 0.350 62.629 62.300 -0.035 0.000 0.905 1722 V CB 1.615 33.425 31.823 -0.022 0.000 1.010 1722 V HN 2.372 nan 8.190 nan 0.000 0.424 1723 S N 2.642 118.287 115.700 -0.092 0.000 2.607 1723 S HA 0.990 5.443 4.470 -0.029 0.000 0.303 1723 S C 0.339 174.879 174.600 -0.100 0.000 1.086 1723 S CA -0.183 57.963 58.200 -0.089 0.000 0.995 1723 S CB 0.995 64.128 63.200 -0.112 0.000 1.084 1723 S HN 1.985 nan 8.310 nan 0.000 0.507 1724 K N -0.302 120.057 120.400 -0.069 0.000 2.336 1724 K HA 0.569 4.871 4.320 -0.029 0.000 0.262 1724 K C 0.272 176.840 176.600 -0.052 0.000 0.992 1724 K CA 0.677 56.931 56.287 -0.055 0.000 0.927 1724 K CB -0.993 31.488 32.500 -0.032 0.000 0.956 1724 K HN 1.283 nan 8.250 nan 0.000 0.495 1725 D N -0.427 119.961 120.400 -0.020 0.000 3.719 1725 D HA 0.631 5.254 4.640 -0.029 0.000 0.236 1725 D C 0.748 177.068 176.300 0.034 0.000 1.496 1725 D CA 0.346 54.364 54.000 0.029 0.000 1.057 1725 D CB -0.182 40.665 40.800 0.079 0.000 1.296 1725 D HN 0.849 nan 8.370 nan 0.000 0.627 1726 K N -0.822 119.606 120.400 0.048 0.000 3.101 1726 K HA 0.683 4.986 4.320 -0.029 0.000 0.229 1726 K C 0.600 177.210 176.600 0.016 0.000 1.232 1726 K CA 0.977 57.282 56.287 0.030 0.000 1.210 1726 K CB -0.515 32.005 32.500 0.033 0.000 1.284 1726 K HN 1.112 nan 8.250 nan 0.000 0.448 1727 K N -0.940 119.464 120.400 0.007 0.000 3.026 1727 K HA 0.535 4.837 4.320 -0.029 0.000 0.287 1727 K C 0.276 176.867 176.600 -0.015 0.000 2.775 1727 K CA 0.812 57.097 56.287 -0.002 0.000 1.542 1727 K CB -0.175 32.324 32.500 -0.003 0.000 3.003 1727 K HN 1.451 nan 8.250 nan 0.000 0.353 1728 S N -1.252 114.428 115.700 -0.034 0.000 2.597 1728 S HA 0.535 4.988 4.470 -0.029 0.000 0.274 1728 S C 0.573 175.119 174.600 -0.089 0.000 1.132 1728 S CA 0.153 58.321 58.200 -0.053 0.000 0.835 1728 S CB 0.816 63.982 63.200 -0.057 0.000 1.092 1728 S HN 1.977 nan 8.310 nan 0.000 0.457 1729 G N 1.180 109.930 108.800 -0.082 0.000 2.635 1729 G HA2 0.367 4.310 3.960 -0.029 0.000 0.264 1729 G HA3 0.367 4.310 3.960 -0.029 0.000 0.264 1729 G C 0.226 175.029 174.900 -0.161 0.000 0.583 1729 G CA 0.518 45.564 45.100 -0.089 0.000 1.071 1729 G HN 2.225 nan 8.290 nan 0.000 0.270 1730 S N 1.784 117.407 115.700 -0.128 0.000 2.484 1730 S HA 0.181 4.634 4.470 -0.029 0.000 0.330 1730 S C -0.495 174.026 174.600 -0.132 0.000 0.882 1730 S CA -1.042 57.064 58.200 -0.156 0.000 0.851 1730 S CB -0.278 62.834 63.200 -0.147 0.000 1.146 1730 S HN 1.028 nan 8.310 nan 0.000 0.466 1731 L N 2.761 123.895 121.223 -0.148 0.000 2.906 1731 L HA 0.023 4.346 4.340 -0.029 0.000 0.292 1731 L C 1.154 177.939 176.870 -0.140 0.000 1.130 1731 L CA 0.997 55.749 54.840 -0.147 0.000 0.940 1731 L CB -0.309 41.645 42.059 -0.176 0.000 1.336 1731 L HN 0.855 nan 8.230 nan 0.000 0.469 1732 T N 4.633 119.048 114.554 -0.232 0.000 2.767 1732 T HA 0.481 4.814 4.350 -0.029 0.000 0.288 1732 T C 0.683 175.086 174.700 -0.495 0.000 0.963 1732 T CA -0.699 61.136 62.100 -0.441 0.000 1.019 1732 T CB 0.129 68.541 68.868 -0.760 0.000 0.923 1732 T HN 0.312 nan 8.240 nan 0.000 0.468 1733 F N 3.539 123.476 119.950 -0.020 0.000 1.511 1733 F HA -0.280 4.230 4.527 -0.029 0.000 0.071 1733 F C 1.614 177.408 175.800 -0.010 0.000 0.191 1733 F CA 0.760 58.752 58.000 -0.014 0.000 0.331 1733 F CB -0.953 38.040 39.000 -0.012 0.000 0.717 1733 F HN 0.606 nan 8.300 nan 0.000 0.667 1734 N N 0.047 118.897 118.700 0.251 0.000 2.521 1734 N HA -0.038 4.685 4.740 -0.029 0.000 0.188 1734 N C 1.617 177.177 175.510 0.084 0.000 1.146 1734 N CA 0.862 53.983 53.050 0.119 0.000 0.893 1734 N CB -0.103 38.449 38.487 0.109 0.000 0.975 1734 N HN 0.656 nan 8.380 nan 0.000 0.451 1735 S N 1.731 117.487 115.700 0.093 0.000 2.310 1735 S HA 0.033 4.485 4.470 -0.029 0.000 0.201 1735 S C 1.646 176.205 174.600 -0.067 0.000 1.032 1735 S CA 0.435 58.653 58.200 0.031 0.000 0.993 1735 S CB -0.285 62.959 63.200 0.073 0.000 0.970 1735 S HN -0.107 nan 8.310 nan 0.000 0.446 1736 K N 2.332 122.623 120.400 -0.183 0.000 2.442 1736 K HA 0.134 4.437 4.320 -0.029 0.000 0.200 1736 K C 0.241 176.780 176.600 -0.101 0.000 1.045 1736 K CA 0.566 56.763 56.287 -0.151 0.000 0.937 1736 K CB -0.924 31.448 32.500 -0.214 0.000 0.757 1736 K HN 0.475 nan 8.250 nan 0.000 0.474 1737 N N -0.893 117.755 118.700 -0.086 0.000 3.134 1737 N HA 0.037 4.760 4.740 -0.029 0.000 0.235 1737 N C -1.179 174.320 175.510 -0.018 0.000 1.092 1737 N CA -0.310 52.711 53.050 -0.048 0.000 1.038 1737 N CB 0.828 39.278 38.487 -0.061 0.000 1.684 1737 N HN -0.118 nan 8.380 nan 0.000 0.551 1738 I N 2.447 123.016 120.570 -0.002 0.000 3.679 1738 I HA 0.059 4.211 4.170 -0.029 0.000 0.370 1738 I C 0.000 176.124 176.117 0.011 0.000 1.123 1738 I CA 0.665 61.974 61.300 0.015 0.000 1.034 1738 I CB -0.738 37.281 38.000 0.031 0.000 2.718 1738 I HN 0.815 nan 8.210 nan 0.000 0.830 1739 Q N -0.019 119.782 119.800 0.000 0.000 2.589 1739 Q HA -0.140 4.183 4.340 -0.029 0.000 0.154 1739 Q C 0.416 176.425 176.000 0.015 0.000 0.562 1739 Q CA 0.943 56.745 55.803 -0.001 0.000 1.260 1739 Q CB -1.312 27.424 28.738 -0.004 0.000 0.984 1739 Q HN 0.485 nan 8.270 nan 0.000 1.098 1740 S N 1.211 116.922 115.700 0.018 0.000 4.620 1740 S HA -0.249 4.204 4.470 -0.029 0.000 0.552 1740 S C 1.286 175.911 174.600 0.041 0.000 0.994 1740 S CA 0.923 59.139 58.200 0.026 0.000 0.991 1740 S CB 0.380 63.589 63.200 0.015 0.000 1.522 1740 S HN 0.266 nan 8.310 nan 0.000 0.402 1741 K N 3.658 124.090 120.400 0.053 0.000 2.227 1741 K HA -0.223 4.079 4.320 -0.029 0.000 0.208 1741 K C 0.805 177.441 176.600 0.059 0.000 1.045 1741 K CA 2.216 58.544 56.287 0.070 0.000 0.931 1741 K CB -0.655 31.875 32.500 0.051 0.000 0.721 1741 K HN 0.780 nan 8.250 nan 0.000 0.469 1742 D N 0.339 120.761 120.400 0.037 0.000 2.413 1742 D HA -0.019 4.604 4.640 -0.029 0.000 0.262 1742 D C -0.646 175.673 176.300 0.030 0.000 1.254 1742 D CA 0.465 54.480 54.000 0.025 0.000 0.942 1742 D CB 0.032 40.839 40.800 0.012 0.000 0.937 1742 D HN -0.087 nan 8.370 nan 0.000 0.508 1743 S N -0.303 115.433 115.700 0.060 0.000 2.599 1743 S HA 0.261 4.714 4.470 -0.029 0.000 0.269 1743 S C -0.765 173.943 174.600 0.181 0.000 1.135 1743 S CA -0.782 57.462 58.200 0.074 0.000 1.027 1743 S CB 1.196 64.417 63.200 0.035 0.000 1.129 1743 S HN 0.280 nan 8.310 nan 0.000 0.458 1887 ? N 0.000 9999.000 9999.000 -0.001 0.000 0.000 1887 ? HA 0.000 9998.980 9999.000 -0.029 0.000 0.000 1887 ? CA 0.000 9999.000 9999.000 -0.001 0.000 0.000 1887 ? CB 0.000 9999.000 9999.000 -0.001 0.000 0.000 1887 ? HN 0.000 nan 9999.000 nan 0.000 0.000