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_G 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 2.304 116.684 114.554 -0.290 0.000 2.849 672 T HA 0.610 4.957 4.350 -0.004 0.000 0.284 672 T C 0.434 174.988 174.700 -0.243 0.000 1.004 672 T CA 0.280 62.243 62.100 -0.229 0.000 1.021 672 T CB 0.675 69.489 68.868 -0.091 0.000 1.013 672 T HN 0.471 nan 8.240 nan 0.000 0.527 673 F N -0.125 119.805 119.950 -0.032 0.000 2.880 673 F HA 0.361 4.885 4.527 -0.004 0.000 0.346 673 F C 1.165 176.927 175.800 -0.064 0.000 1.054 673 F CA -0.806 57.168 58.000 -0.043 0.000 1.151 673 F CB 0.550 39.534 39.000 -0.028 0.000 1.066 673 F HN 0.408 nan 8.300 nan 0.000 0.566 674 K N 2.255 122.729 120.400 0.123 0.000 2.619 674 K HA -0.191 4.127 4.320 -0.004 0.000 0.278 674 K C -0.335 176.231 176.600 -0.057 0.000 0.969 674 K CA 1.168 57.470 56.287 0.024 0.000 1.042 674 K CB 0.058 32.559 32.500 0.002 0.000 0.845 674 K HN 0.232 nan 8.250 nan 0.000 0.497 675 D N 2.818 123.116 120.400 -0.169 0.000 3.187 675 D HA -0.157 4.481 4.640 -0.004 0.000 0.244 675 D C -0.068 176.003 176.300 -0.382 0.000 1.114 675 D CA 0.580 54.359 54.000 -0.368 0.000 0.920 675 D CB -0.030 40.617 40.800 -0.254 0.000 0.970 675 D HN 0.577 nan 8.370 nan 0.000 0.418 676 K N -0.391 119.735 120.400 -0.456 0.000 2.826 676 K HA 0.044 4.362 4.320 -0.004 0.000 0.195 676 K C 0.099 176.563 176.600 -0.225 0.000 1.516 676 K CA 0.183 56.286 56.287 -0.307 0.000 1.213 676 K CB 0.860 33.234 32.500 -0.209 0.000 1.762 676 K HN 0.498 nan 8.250 nan 0.000 0.583 677 Y N 0.768 120.927 120.300 -0.236 0.000 2.619 677 Y HA -0.257 4.291 4.550 -0.004 0.000 0.046 677 Y C -0.444 175.397 175.900 -0.098 0.000 1.802 677 Y CA -0.493 57.456 58.100 -0.251 0.000 1.332 677 Y CB -0.794 37.481 38.460 -0.308 0.000 1.982 677 Y HN -0.200 nan 8.280 nan 0.000 0.272 678 V N 4.360 124.347 119.914 0.122 0.000 3.048 678 V HA 0.539 4.656 4.120 -0.004 0.000 0.303 678 V C -0.781 175.371 176.094 0.098 0.000 1.214 678 V CA -1.111 61.238 62.300 0.080 0.000 0.984 678 V CB 2.017 33.833 31.823 -0.012 0.000 1.054 678 V HN 0.481 nan 8.190 nan 0.000 0.430 679 L N 2.809 124.075 121.223 0.072 0.000 2.334 679 L HA 0.931 5.268 4.340 -0.004 0.000 0.276 679 L C -0.805 176.072 176.870 0.011 0.000 1.014 679 L CA -1.087 53.779 54.840 0.042 0.000 0.815 679 L CB 0.774 42.843 42.059 0.017 0.000 1.268 679 L HN 0.454 nan 8.230 nan 0.000 0.428 680 I N 0.726 121.296 120.570 -0.001 0.000 2.498 680 I HA 0.628 4.795 4.170 -0.004 0.000 0.290 680 I C 1.118 177.240 176.117 0.008 0.000 1.032 680 I CA -0.192 61.105 61.300 -0.006 0.000 1.073 680 I CB 1.739 39.727 38.000 -0.019 0.000 1.251 680 I HN 0.683 nan 8.210 nan 0.000 0.426 681 T N 3.042 117.631 114.554 0.058 0.000 2.735 681 T HA 0.067 4.415 4.350 -0.004 0.000 0.256 681 T C 1.174 175.951 174.700 0.128 0.000 1.042 681 T CA 0.980 63.145 62.100 0.108 0.000 1.147 681 T CB -0.368 68.614 68.868 0.189 0.000 0.865 681 T HN 0.894 nan 8.240 nan 0.000 0.421 682 G N 1.874 110.752 108.800 0.130 0.000 2.241 682 G HA2 0.295 4.253 3.960 -0.004 0.000 0.235 682 G HA3 0.295 4.253 3.960 -0.004 0.000 0.235 682 G C 0.492 175.436 174.900 0.074 0.000 1.127 682 G CA 0.026 45.178 45.100 0.087 0.000 0.867 682 G HN 0.651 nan 8.290 nan 0.000 0.473 683 A N 2.261 125.130 122.820 0.083 0.000 2.474 683 A HA 0.481 4.798 4.320 -0.004 0.000 0.286 683 A C 1.568 179.228 177.584 0.126 0.000 1.196 683 A CA 1.359 53.448 52.037 0.087 0.000 0.924 683 A CB -0.332 18.697 19.000 0.048 0.000 1.120 683 A HN 1.653 nan 8.150 nan 0.000 0.530 684 G N -1.538 107.353 108.800 0.152 0.000 2.930 684 G HA2 0.226 4.183 3.960 -0.004 0.000 0.209 684 G HA3 0.226 4.183 3.960 -0.004 0.000 0.209 684 G C 1.105 176.013 174.900 0.014 0.000 2.018 684 G CA 0.490 45.736 45.100 0.243 0.000 0.751 684 G HN 0.757 nan 8.290 nan 0.000 0.770 685 K N 0.442 120.615 120.400 -0.379 0.000 2.286 685 K HA -0.066 4.251 4.320 -0.004 0.000 0.203 685 K C 2.203 178.689 176.600 -0.190 0.000 1.045 685 K CA 1.465 57.422 56.287 -0.548 0.000 0.935 685 K CB -0.669 31.240 32.500 -0.985 0.000 0.737 685 K HN 0.325 nan 8.250 nan 0.000 0.460 686 G N 0.329 109.057 108.800 -0.120 0.000 2.739 686 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.216 686 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.216 686 G C 0.491 175.374 174.900 -0.029 0.000 1.298 686 G CA 1.292 46.357 45.100 -0.057 0.000 0.804 686 G HN 0.576 nan 8.290 nan 0.000 0.623 687 S N -3.235 112.461 115.700 -0.007 0.000 2.654 687 S HA 0.372 4.839 4.470 -0.004 0.000 0.267 687 S C 0.672 175.274 174.600 0.003 0.000 1.151 687 S CA 0.178 58.381 58.200 0.005 0.000 0.873 687 S CB 0.091 63.295 63.200 0.006 0.000 1.181 687 S HN 1.004 nan 8.310 nan 0.000 0.489 688 I N 0.150 120.727 120.570 0.011 0.000 4.862 688 I HA -0.390 3.778 4.170 -0.004 0.000 0.041 688 I C 2.204 178.291 176.117 -0.050 0.000 0.634 688 I CA 2.135 63.432 61.300 -0.005 0.000 0.377 688 I CB -1.694 36.305 38.000 -0.000 0.000 0.418 688 I HN 1.010 nan 8.210 nan 0.000 0.152 689 G N -0.245 108.486 108.800 -0.115 0.000 2.442 689 G HA2 -0.085 3.872 3.960 -0.004 0.000 0.219 689 G HA3 -0.085 3.872 3.960 -0.004 0.000 0.219 689 G C 1.569 176.434 174.900 -0.059 0.000 1.141 689 G CA 2.081 47.096 45.100 -0.142 0.000 0.763 689 G HN 0.950 nan 8.290 nan 0.000 0.554 690 A N 1.165 123.970 122.820 -0.026 0.000 1.883 690 A HA -0.257 4.061 4.320 -0.004 0.000 0.222 690 A C 2.235 179.793 177.584 -0.044 0.000 1.339 690 A CA 2.363 54.388 52.037 -0.020 0.000 0.692 690 A CB -0.626 18.381 19.000 0.012 0.000 0.845 690 A HN 0.364 nan 8.150 nan 0.000 0.467 691 E N -0.508 119.691 120.200 -0.001 0.000 2.017 691 E HA -0.126 4.221 4.350 -0.004 0.000 0.193 691 E C 2.258 178.887 176.600 0.049 0.000 0.997 691 E CA 1.273 57.697 56.400 0.039 0.000 0.804 691 E CB -1.117 28.634 29.700 0.085 0.000 0.757 691 E HN 0.393 nan 8.360 nan 0.000 0.448 692 V N 2.159 122.091 119.914 0.030 0.000 2.242 692 V HA -0.326 3.791 4.120 -0.004 0.000 0.257 692 V C 2.563 178.675 176.094 0.029 0.000 1.073 692 V CA 2.332 64.645 62.300 0.021 0.000 1.058 692 V CB -0.929 30.854 31.823 -0.067 0.000 0.664 692 V HN 0.188 nan 8.190 nan 0.000 0.451 693 L N 0.079 121.295 121.223 -0.011 0.000 1.955 693 L HA -0.241 4.097 4.340 -0.004 0.000 0.213 693 L C 2.558 179.439 176.870 0.018 0.000 1.072 693 L CA 2.199 57.036 54.840 -0.006 0.000 0.755 693 L CB -1.132 40.900 42.059 -0.044 0.000 0.888 693 L HN 0.422 nan 8.230 nan 0.000 0.432 694 Q N -0.354 119.419 119.800 -0.044 0.000 2.224 694 Q HA -0.259 4.078 4.340 -0.004 0.000 0.213 694 Q C 1.919 178.053 176.000 0.223 0.000 0.998 694 Q CA 1.710 57.518 55.803 0.008 0.000 0.895 694 Q CB -0.787 27.925 28.738 -0.043 0.000 0.926 694 Q HN 0.788 nan 8.270 nan 0.000 0.417 695 G N 1.060 109.970 108.800 0.184 0.000 2.616 695 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.215 695 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.215 695 G C 1.317 176.382 174.900 0.275 0.000 1.284 695 G CA 0.497 45.738 45.100 0.234 0.000 0.823 695 G HN 0.166 nan 8.290 nan 0.000 0.569 696 L N 0.197 121.565 121.223 0.241 0.000 2.186 696 L HA -0.212 4.126 4.340 -0.004 0.000 0.221 696 L C 2.941 179.934 176.870 0.205 0.000 1.087 696 L CA 1.407 56.354 54.840 0.178 0.000 0.794 696 L CB -1.065 40.993 42.059 -0.000 0.000 0.893 696 L HN 0.251 nan 8.230 nan 0.000 0.442 697 L N -1.040 120.283 121.223 0.168 0.000 2.007 697 L HA -0.220 4.118 4.340 -0.004 0.000 0.205 697 L C 2.670 179.615 176.870 0.126 0.000 1.073 697 L CA 1.252 56.181 54.840 0.148 0.000 0.744 697 L CB -0.419 41.717 42.059 0.128 0.000 0.898 697 L HN 0.256 nan 8.230 nan 0.000 0.435 698 Q N -0.180 119.705 119.800 0.142 0.000 2.291 698 Q HA -0.147 4.190 4.340 -0.004 0.000 0.206 698 Q C 2.030 178.070 176.000 0.066 0.000 0.976 698 Q CA 1.393 57.236 55.803 0.068 0.000 0.875 698 Q CB -0.146 28.616 28.738 0.040 0.000 0.927 698 Q HN 0.520 nan 8.270 nan 0.000 0.450 699 G N -0.548 108.345 108.800 0.155 0.000 2.440 699 G HA2 -0.102 3.855 3.960 -0.004 0.000 0.218 699 G HA3 -0.102 3.855 3.960 -0.004 0.000 0.218 699 G C 1.031 176.015 174.900 0.140 0.000 1.154 699 G CA 0.787 45.995 45.100 0.179 0.000 0.767 699 G HN 0.662 nan 8.290 nan 0.000 0.552 700 G N -1.374 107.511 108.800 0.143 0.000 2.192 700 G HA2 0.191 4.148 3.960 -0.004 0.000 0.193 700 G HA3 0.191 4.148 3.960 -0.004 0.000 0.193 700 G C 0.745 175.706 174.900 0.102 0.000 0.999 700 G CA 0.849 46.006 45.100 0.096 0.000 0.659 700 G HN 1.298 nan 8.290 nan 0.000 0.503 701 A N 0.013 122.910 122.820 0.129 0.000 2.238 701 A HA 0.643 4.961 4.320 -0.004 0.000 0.276 701 A C 0.635 178.265 177.584 0.078 0.000 1.464 701 A CA 1.075 53.153 52.037 0.068 0.000 0.835 701 A CB 0.207 19.219 19.000 0.021 0.000 1.277 701 A HN 0.554 nan 8.150 nan 0.000 0.534 702 K N -1.216 119.219 120.400 0.057 0.000 2.601 702 K HA 0.577 4.894 4.320 -0.004 0.000 0.249 702 K C -1.881 174.763 176.600 0.072 0.000 0.966 702 K CA -0.350 55.953 56.287 0.026 0.000 0.827 702 K CB 2.181 34.537 32.500 -0.241 0.000 1.178 702 K HN 0.330 nan 8.250 nan 0.000 0.437 703 V N 2.433 122.470 119.914 0.204 0.000 3.001 703 V HA 0.448 4.566 4.120 -0.004 0.000 0.314 703 V C -0.984 175.273 176.094 0.272 0.000 1.099 703 V CA -0.879 61.559 62.300 0.231 0.000 0.989 703 V CB 2.573 34.479 31.823 0.138 0.000 1.040 703 V HN 0.459 nan 8.190 nan 0.000 0.434 704 V N 4.330 124.374 119.914 0.217 0.000 2.350 704 V HA 0.441 4.559 4.120 -0.004 0.000 0.285 704 V C -0.339 175.795 176.094 0.067 0.000 1.014 704 V CA -0.408 61.963 62.300 0.120 0.000 0.831 704 V CB 1.776 33.654 31.823 0.091 0.000 1.000 704 V HN 0.607 nan 8.190 nan 0.000 0.433 705 V N 3.520 123.463 119.914 0.049 0.000 2.617 705 V HA 0.513 4.630 4.120 -0.004 0.000 0.298 705 V C 0.419 176.482 176.094 -0.051 0.000 1.048 705 V CA -0.416 61.906 62.300 0.035 0.000 0.964 705 V CB 1.827 33.737 31.823 0.145 0.000 1.004 705 V HN 0.773 nan 8.190 nan 0.000 0.466 706 T N 2.697 117.234 114.554 -0.029 0.000 2.794 706 T HA 0.556 4.903 4.350 -0.004 0.000 0.280 706 T C -0.277 174.444 174.700 0.034 0.000 0.987 706 T CA -0.192 61.901 62.100 -0.012 0.000 0.993 706 T CB 0.780 69.607 68.868 -0.069 0.000 0.939 706 T HN 0.904 nan 8.240 nan 0.000 0.449 707 T N 3.021 117.609 114.554 0.056 0.000 2.829 707 T HA 0.318 4.666 4.350 -0.004 0.000 0.280 707 T C 1.161 175.942 174.700 0.136 0.000 0.999 707 T CA -0.652 61.475 62.100 0.044 0.000 0.983 707 T CB 1.733 70.555 68.868 -0.076 0.000 0.968 707 T HN 0.455 nan 8.240 nan 0.000 0.446 708 S N 1.297 117.063 115.700 0.111 0.000 2.496 708 S HA 0.113 4.580 4.470 -0.004 0.000 0.224 708 S C 0.940 175.598 174.600 0.096 0.000 0.996 708 S CA 0.742 59.007 58.200 0.109 0.000 0.927 708 S CB 0.008 63.263 63.200 0.091 0.000 0.774 708 S HN 0.590 nan 8.310 nan 0.000 0.524 709 R N -1.687 118.872 120.500 0.098 0.000 3.361 709 R HA 0.758 5.096 4.340 -0.004 0.000 0.188 709 R C -0.877 175.562 176.300 0.232 0.000 1.441 709 R CA -0.562 55.609 56.100 0.119 0.000 0.810 709 R CB 0.228 30.569 30.300 0.069 0.000 1.658 709 R HN 0.195 nan 8.270 nan 0.000 0.483 710 F N -1.696 118.241 119.950 -0.022 0.000 4.174 710 F HA 0.333 4.858 4.527 -0.004 0.000 0.313 710 F C -1.389 174.399 175.800 -0.020 0.000 0.911 710 F CA 0.622 58.602 58.000 -0.033 0.000 0.783 710 F CB 0.634 39.612 39.000 -0.036 0.000 1.823 710 F HN 0.599 nan 8.300 nan 0.000 0.455 711 S N 1.068 117.011 115.700 0.405 0.000 3.386 711 S HA -0.154 4.313 4.470 -0.004 0.000 0.810 711 S C 0.287 174.933 174.600 0.077 0.000 1.062 711 S CA 0.378 58.705 58.200 0.210 0.000 1.151 711 S CB -0.711 62.559 63.200 0.118 0.000 0.758 711 S HN 1.054 nan 8.310 nan 0.000 0.308 712 K N 1.149 121.594 120.400 0.074 0.000 2.293 712 K HA -0.228 4.090 4.320 -0.004 0.000 0.204 712 K C 2.016 178.641 176.600 0.042 0.000 1.045 712 K CA 1.869 58.186 56.287 0.051 0.000 0.933 712 K CB -0.263 32.277 32.500 0.066 0.000 0.736 712 K HN 0.521 nan 8.250 nan 0.000 0.463 713 Q N 0.387 120.211 119.800 0.040 0.000 2.062 713 Q HA -0.163 4.174 4.340 -0.004 0.000 0.209 713 Q C 1.981 178.011 176.000 0.050 0.000 0.996 713 Q CA 1.809 57.634 55.803 0.037 0.000 0.859 713 Q CB -0.194 28.557 28.738 0.022 0.000 0.920 713 Q HN 0.222 nan 8.270 nan 0.000 0.415 714 V N -0.532 119.384 119.914 0.004 0.000 3.125 714 V HA -0.053 4.065 4.120 -0.004 0.000 0.249 714 V C 1.669 177.734 176.094 -0.049 0.000 1.113 714 V CA 1.343 63.656 62.300 0.022 0.000 1.106 714 V CB -0.153 31.596 31.823 -0.123 0.000 0.768 714 V HN 0.257 nan 8.190 nan 0.000 0.468 715 T N -0.030 114.432 114.554 -0.152 0.000 3.320 715 T HA -0.083 4.265 4.350 -0.004 0.000 0.258 715 T C 0.997 175.682 174.700 -0.025 0.000 1.176 715 T CA 1.037 63.050 62.100 -0.146 0.000 1.037 715 T CB -0.231 68.593 68.868 -0.074 0.000 0.958 715 T HN 0.396 nan 8.240 nan 0.000 0.545 716 D N -1.382 119.040 120.400 0.038 0.000 2.399 716 D HA 0.125 4.762 4.640 -0.004 0.000 0.269 716 D C 1.118 177.481 176.300 0.105 0.000 1.105 716 D CA -0.126 53.910 54.000 0.060 0.000 0.844 716 D CB 0.254 41.093 40.800 0.064 0.000 1.372 716 D HN 0.290 nan 8.370 nan 0.000 0.517 717 Y N 1.448 121.776 120.300 0.047 0.000 2.084 717 Y HA -0.195 4.352 4.550 -0.004 0.000 0.279 717 Y C 0.974 176.901 175.900 0.045 0.000 1.119 717 Y CA 1.570 59.698 58.100 0.046 0.000 1.101 717 Y CB -0.680 37.850 38.460 0.116 0.000 0.989 717 Y HN -0.155 nan 8.280 nan 0.000 0.484 718 Y N 1.724 121.916 120.300 -0.179 0.000 2.570 718 Y HA 0.012 4.560 4.550 -0.004 0.000 0.358 718 Y C 1.860 177.670 175.900 -0.149 0.000 1.185 718 Y CA 0.601 58.557 58.100 -0.239 0.000 1.299 718 Y CB -1.186 37.202 38.460 -0.120 0.000 1.219 718 Y HN 0.421 nan 8.280 nan 0.000 0.482 719 Q N 0.245 120.030 119.800 -0.026 0.000 2.514 719 Q HA -0.042 4.296 4.340 -0.004 0.000 0.191 719 Q C 2.295 178.277 176.000 -0.030 0.000 0.968 719 Q CA 1.785 57.586 55.803 -0.004 0.000 0.852 719 Q CB -0.874 27.863 28.738 -0.003 0.000 1.051 719 Q HN 0.164 nan 8.270 nan 0.000 0.604 720 S N 1.016 116.651 115.700 -0.108 0.000 2.359 720 S HA -0.129 4.339 4.470 -0.004 0.000 0.224 720 S C 1.988 176.484 174.600 -0.173 0.000 1.035 720 S CA 1.385 59.504 58.200 -0.135 0.000 1.018 720 S CB -0.777 62.312 63.200 -0.186 0.000 0.876 720 S HN 0.444 nan 8.310 nan 0.000 0.448 721 I N 1.001 121.355 120.570 -0.359 0.000 2.229 721 I HA -0.184 3.983 4.170 -0.004 0.000 0.250 721 I C 2.199 178.163 176.117 -0.256 0.000 1.096 721 I CA 1.427 62.413 61.300 -0.523 0.000 1.358 721 I CB -1.836 35.640 38.000 -0.874 0.000 1.047 721 I HN 0.410 nan 8.210 nan 0.000 0.422 722 Y N 1.874 122.059 120.300 -0.192 0.000 2.586 722 Y HA 0.254 4.802 4.550 -0.004 0.000 0.240 722 Y C 1.740 177.639 175.900 -0.001 0.000 0.998 722 Y CA 0.483 58.545 58.100 -0.064 0.000 1.019 722 Y CB -0.844 37.603 38.460 -0.021 0.000 1.047 722 Y HN 0.053 nan 8.280 nan 0.000 0.468 723 A N 1.854 124.674 122.820 0.001 0.000 2.858 723 A HA 0.015 4.332 4.320 -0.004 0.000 0.290 723 A C 1.026 178.589 177.584 -0.036 0.000 1.683 723 A CA 1.676 53.674 52.037 -0.064 0.000 1.180 723 A CB -1.438 17.622 19.000 0.099 0.000 0.954 723 A HN 0.719 nan 8.150 nan 0.000 0.592 724 K N -0.473 119.903 120.400 -0.040 0.000 1.130 724 K HA -0.043 4.274 4.320 -0.004 0.000 0.075 724 K C -0.432 176.275 176.600 0.178 0.000 2.356 724 K CA 0.447 56.788 56.287 0.090 0.000 0.970 724 K CB -0.128 32.488 32.500 0.193 0.000 2.609 724 K HN 0.499 nan 8.250 nan 0.000 0.319 725 Y N -0.240 119.941 120.300 -0.199 0.000 2.459 725 Y HA 0.345 4.892 4.550 -0.004 0.000 0.271 725 Y C 0.816 176.590 175.900 -0.210 0.000 1.063 725 Y CA 0.113 58.119 58.100 -0.157 0.000 1.216 725 Y CB 0.989 39.379 38.460 -0.116 0.000 1.335 725 Y HN 0.109 nan 8.280 nan 0.000 0.550 726 G N 1.743 110.389 108.800 -0.257 0.000 2.307 726 G HA2 0.371 4.328 3.960 -0.004 0.000 0.271 726 G HA3 0.371 4.328 3.960 -0.004 0.000 0.271 726 G C 0.285 175.021 174.900 -0.274 0.000 1.191 726 G CA 0.375 45.161 45.100 -0.524 0.000 1.024 726 G HN 0.329 nan 8.290 nan 0.000 0.441 727 A N 3.026 125.788 122.820 -0.096 0.000 2.313 727 A HA 0.458 4.775 4.320 -0.004 0.000 0.261 727 A C 1.728 179.300 177.584 -0.020 0.000 1.090 727 A CA 0.222 52.232 52.037 -0.045 0.000 0.807 727 A CB 0.402 19.403 19.000 0.001 0.000 1.055 727 A HN 0.882 nan 8.150 nan 0.000 0.492 728 K N 0.385 120.778 120.400 -0.012 0.000 2.091 728 K HA -0.278 4.040 4.320 -0.004 0.000 0.225 728 K C 1.049 177.672 176.600 0.038 0.000 1.028 728 K CA 2.461 58.753 56.287 0.008 0.000 0.965 728 K CB -0.566 31.938 32.500 0.005 0.000 0.786 728 K HN 0.858 nan 8.250 nan 0.000 0.459 729 G N 0.394 109.223 108.800 0.048 0.000 4.433 729 G HA2 0.276 4.234 3.960 -0.004 0.000 0.304 729 G HA3 0.276 4.234 3.960 -0.004 0.000 0.304 729 G C -0.777 174.186 174.900 0.105 0.000 1.254 729 G CA -0.431 44.713 45.100 0.073 0.000 0.999 729 G HN 0.196 nan 8.290 nan 0.000 0.576 730 S N 0.253 116.042 115.700 0.148 0.000 2.669 730 S HA 0.766 5.234 4.470 -0.004 0.000 0.270 730 S C 0.237 175.038 174.600 0.335 0.000 1.225 730 S CA -0.192 58.141 58.200 0.221 0.000 0.991 730 S CB 1.386 64.722 63.200 0.226 0.000 0.987 730 S HN 0.622 nan 8.310 nan 0.000 0.552 731 T N -0.018 114.729 114.554 0.321 0.000 3.295 731 T HA 0.520 4.867 4.350 -0.004 0.000 0.331 731 T C -1.428 173.376 174.700 0.173 0.000 1.142 731 T CA -0.648 61.571 62.100 0.200 0.000 1.078 731 T CB 0.791 69.789 68.868 0.216 0.000 1.150 731 T HN 0.318 nan 8.240 nan 0.000 0.465 732 L N 3.509 124.688 121.223 -0.073 0.000 2.325 732 L HA 0.726 5.064 4.340 -0.004 0.000 0.281 732 L C -1.227 175.625 176.870 -0.030 0.000 1.004 732 L CA -1.037 53.809 54.840 0.011 0.000 0.823 732 L CB 1.028 43.104 42.059 0.028 0.000 1.236 732 L HN 0.802 nan 8.230 nan 0.000 0.415 733 I N 6.056 126.652 120.570 0.042 0.000 2.330 733 I HA 0.379 4.546 4.170 -0.004 0.000 0.289 733 I C -0.645 175.454 176.117 -0.029 0.000 1.001 733 I CA -0.950 60.336 61.300 -0.022 0.000 1.193 733 I CB 1.683 39.646 38.000 -0.061 0.000 1.345 733 I HN 0.260 nan 8.210 nan 0.000 0.461 734 V N 6.941 126.799 119.914 -0.092 0.000 2.350 734 V HA 0.482 4.599 4.120 -0.004 0.000 0.276 734 V C 0.024 176.036 176.094 -0.137 0.000 1.028 734 V CA -0.633 61.544 62.300 -0.205 0.000 0.860 734 V CB 1.440 33.049 31.823 -0.356 0.000 0.990 734 V HN 0.428 nan 8.190 nan 0.000 0.453 735 V N 6.881 126.738 119.914 -0.096 0.000 2.789 735 V HA 0.550 4.667 4.120 -0.004 0.000 0.311 735 V C -2.349 173.819 176.094 0.123 0.000 1.073 735 V CA -1.776 60.541 62.300 0.028 0.000 0.921 735 V CB 3.180 35.000 31.823 -0.004 0.000 1.009 735 V HN 0.745 nan 8.190 nan 0.000 0.426 736 P HA 0.504 nan 4.420 nan 0.000 0.282 736 P C -1.215 176.252 177.300 0.279 0.000 1.249 736 P CA -0.205 63.093 63.100 0.330 0.000 0.806 736 P CB 1.353 33.213 31.700 0.267 0.000 0.984 737 F N 1.322 121.305 119.950 0.055 0.000 2.765 737 F HA 0.335 4.860 4.527 -0.004 0.000 0.313 737 F C -2.388 173.440 175.800 0.046 0.000 1.136 737 F CA -0.731 57.289 58.000 0.033 0.000 0.952 737 F CB 1.488 40.506 39.000 0.030 0.000 1.268 737 F HN 0.228 nan 8.300 nan 0.000 0.441 738 N N 4.665 122.844 118.700 -0.869 0.000 2.504 738 N HA 0.163 4.901 4.740 -0.004 0.000 0.280 738 N C -0.173 174.738 175.510 -0.999 0.000 1.052 738 N CA -0.296 52.411 53.050 -0.571 0.000 0.887 738 N CB 2.090 40.444 38.487 -0.223 0.000 1.323 738 N HN 1.019 nan 8.380 nan 0.000 0.509 739 Q N 1.596 121.043 119.800 -0.588 0.000 2.522 739 Q HA -0.012 4.326 4.340 -0.004 0.000 0.216 739 Q C 0.813 176.665 176.000 -0.247 0.000 0.986 739 Q CA 0.929 56.576 55.803 -0.260 0.000 0.901 739 Q CB 0.046 28.886 28.738 0.170 0.000 0.954 739 Q HN 0.692 nan 8.270 nan 0.000 0.502 740 G N -0.495 108.139 108.800 -0.275 0.000 2.572 740 G HA2 0.211 4.169 3.960 -0.004 0.000 0.261 740 G HA3 0.211 4.169 3.960 -0.004 0.000 0.261 740 G C -0.780 174.056 174.900 -0.107 0.000 1.197 740 G CA 0.000 44.980 45.100 -0.201 0.000 0.870 740 G HN 0.217 nan 8.290 nan 0.000 0.548 741 S N -0.156 115.517 115.700 -0.044 0.000 3.798 741 S HA -0.195 4.272 4.470 -0.004 0.000 0.351 741 S C 1.752 176.327 174.600 -0.042 0.000 0.789 741 S CA 1.325 59.510 58.200 -0.025 0.000 1.322 741 S CB -0.840 62.359 63.200 -0.002 0.000 1.663 741 S HN 1.235 nan 8.310 nan 0.000 0.521 742 K N 4.538 124.924 120.400 -0.024 0.000 2.471 742 K HA -0.370 3.948 4.320 -0.004 0.000 0.228 742 K C 1.425 178.026 176.600 0.002 0.000 0.710 742 K CA 1.860 58.145 56.287 -0.002 0.000 0.900 742 K CB -1.159 31.340 32.500 -0.001 0.000 0.385 742 K HN 0.797 nan 8.250 nan 0.000 0.972 743 Q N 1.021 120.824 119.800 0.005 0.000 2.687 743 Q HA -0.385 3.952 4.340 -0.004 0.000 0.467 743 Q C 1.749 177.769 176.000 0.033 0.000 0.501 743 Q CA 2.647 58.455 55.803 0.008 0.000 1.020 743 Q CB -1.821 26.910 28.738 -0.011 0.000 1.707 743 Q HN 0.853 nan 8.270 nan 0.000 1.103 744 D N 0.224 120.625 120.400 0.001 0.000 2.248 744 D HA -0.242 4.395 4.640 -0.004 0.000 0.191 744 D C 1.722 178.151 176.300 0.216 0.000 1.013 744 D CA 2.319 56.332 54.000 0.022 0.000 0.883 744 D CB -0.526 40.167 40.800 -0.178 0.000 0.915 744 D HN 0.268 nan 8.370 nan 0.000 0.448 745 V N 1.882 121.918 119.914 0.203 0.000 2.227 745 V HA -0.239 3.878 4.120 -0.004 0.000 0.238 745 V C 2.606 178.821 176.094 0.201 0.000 1.039 745 V CA 1.944 64.464 62.300 0.366 0.000 0.990 745 V CB -0.725 31.225 31.823 0.210 0.000 0.635 745 V HN 0.150 nan 8.190 nan 0.000 0.453 746 E N 0.292 120.554 120.200 0.105 0.000 2.233 746 E HA -0.360 3.988 4.350 -0.004 0.000 0.210 746 E C 2.116 178.760 176.600 0.073 0.000 1.046 746 E CA 1.815 58.249 56.400 0.057 0.000 0.844 746 E CB -0.355 29.361 29.700 0.027 0.000 0.741 746 E HN 0.628 nan 8.360 nan 0.000 0.465 747 A N 0.854 123.736 122.820 0.103 0.000 1.903 747 A HA -0.069 4.249 4.320 -0.004 0.000 0.213 747 A C 2.101 179.788 177.584 0.172 0.000 1.185 747 A CA 0.583 52.690 52.037 0.117 0.000 0.628 747 A CB -0.401 18.656 19.000 0.094 0.000 0.830 747 A HN 0.185 nan 8.150 nan 0.000 0.446 748 L N 0.635 121.977 121.223 0.198 0.000 1.963 748 L HA -0.211 4.127 4.340 -0.004 0.000 0.220 748 L C 2.173 179.142 176.870 0.164 0.000 1.076 748 L CA 1.954 56.904 54.840 0.183 0.000 0.772 748 L CB -0.809 41.302 42.059 0.088 0.000 0.892 748 L HN 0.361 nan 8.230 nan 0.000 0.435 749 I N -0.107 120.527 120.570 0.108 0.000 2.091 749 I HA -0.351 3.816 4.170 -0.004 0.000 0.240 749 I C 2.553 178.745 176.117 0.125 0.000 1.046 749 I CA 1.961 63.320 61.300 0.098 0.000 1.306 749 I CB -1.421 36.595 38.000 0.028 0.000 1.018 749 I HN 0.489 nan 8.210 nan 0.000 0.404 750 E N 1.537 121.788 120.200 0.085 0.000 2.037 750 E HA -0.338 4.010 4.350 -0.004 0.000 0.214 750 E C 2.225 178.899 176.600 0.123 0.000 1.041 750 E CA 1.990 58.435 56.400 0.075 0.000 0.872 750 E CB -1.053 28.694 29.700 0.079 0.000 0.785 750 E HN 0.320 nan 8.360 nan 0.000 0.476 751 F N 0.828 120.792 119.950 0.023 0.000 2.204 751 F HA -0.227 4.298 4.527 -0.004 0.000 0.301 751 F C 1.916 177.694 175.800 -0.037 0.000 1.058 751 F CA 1.883 59.875 58.000 -0.012 0.000 1.313 751 F CB -0.253 38.728 39.000 -0.032 0.000 1.051 751 F HN 0.190 nan 8.300 nan 0.000 0.505 752 I N -1.630 118.833 120.570 -0.179 0.000 2.676 752 I HA -0.250 3.918 4.170 -0.004 0.000 0.259 752 I C 1.357 177.355 176.117 -0.197 0.000 1.194 752 I CA 0.872 62.006 61.300 -0.278 0.000 1.473 752 I CB -0.488 37.520 38.000 0.013 0.000 1.096 752 I HN 0.137 nan 8.210 nan 0.000 0.443 753 Y N -0.358 119.817 120.300 -0.209 0.000 2.558 753 Y HA 0.166 4.713 4.550 -0.004 0.000 0.273 753 Y C 1.224 177.042 175.900 -0.137 0.000 1.100 753 Y CA -0.575 57.454 58.100 -0.120 0.000 1.276 753 Y CB -0.117 38.318 38.460 -0.042 0.000 1.196 753 Y HN -0.024 nan 8.280 nan 0.000 0.527 754 D N 0.894 121.298 120.400 0.007 0.000 2.474 754 D HA -0.061 4.577 4.640 -0.004 0.000 0.232 754 D C 0.002 176.248 176.300 -0.090 0.000 1.177 754 D CA 0.822 54.803 54.000 -0.031 0.000 0.876 754 D CB 0.883 41.664 40.800 -0.031 0.000 1.208 754 D HN 0.062 nan 8.370 nan 0.000 0.464 755 T N 2.488 117.015 114.554 -0.045 0.000 2.918 755 T HA 0.020 4.368 4.350 -0.004 0.000 0.302 755 T C 1.462 176.122 174.700 -0.067 0.000 1.045 755 T CA -0.346 61.725 62.100 -0.048 0.000 1.114 755 T CB 0.703 69.563 68.868 -0.014 0.000 0.965 755 T HN 0.289 nan 8.240 nan 0.000 0.540 756 E N 1.457 121.614 120.200 -0.072 0.000 2.209 756 E HA -0.167 4.180 4.350 -0.004 0.000 0.196 756 E C 1.779 178.363 176.600 -0.027 0.000 0.993 756 E CA 0.973 57.334 56.400 -0.066 0.000 0.819 756 E CB 0.029 29.699 29.700 -0.050 0.000 0.745 756 E HN 0.512 nan 8.360 nan 0.000 0.477 757 K N 0.337 120.727 120.400 -0.015 0.000 2.439 757 K HA -0.007 4.311 4.320 -0.004 0.000 0.197 757 K C 0.896 177.498 176.600 0.003 0.000 1.041 757 K CA 0.469 56.755 56.287 -0.002 0.000 0.970 757 K CB 0.055 32.556 32.500 0.002 0.000 0.773 757 K HN 0.207 nan 8.250 nan 0.000 0.479 758 N N -1.434 117.265 118.700 -0.001 0.000 2.191 758 N HA 0.082 4.819 4.740 -0.004 0.000 0.183 758 N C 1.428 176.952 175.510 0.023 0.000 1.474 758 N CA -0.234 52.823 53.050 0.011 0.000 1.043 758 N CB -0.168 38.324 38.487 0.009 0.000 1.332 758 N HN -0.073 nan 8.380 nan 0.000 0.321 759 G N -0.342 108.481 108.800 0.037 0.000 2.587 759 G HA2 0.252 4.210 3.960 -0.004 0.000 0.217 759 G HA3 0.252 4.210 3.960 -0.004 0.000 0.217 759 G C 0.522 175.460 174.900 0.064 0.000 1.240 759 G CA 1.384 46.547 45.100 0.105 0.000 0.794 759 G HN 0.815 nan 8.290 nan 0.000 0.580 760 G N -2.326 106.393 108.800 -0.135 0.000 2.357 760 G HA2 0.413 4.370 3.960 -0.004 0.000 0.289 760 G HA3 0.413 4.370 3.960 -0.004 0.000 0.289 760 G C -0.254 174.265 174.900 -0.635 0.000 1.302 760 G CA -0.089 44.854 45.100 -0.261 0.000 0.936 760 G HN 1.574 nan 8.290 nan 0.000 0.513 761 L N -0.644 120.155 121.223 -0.707 0.000 3.664 761 L HA -0.007 4.330 4.340 -0.004 0.000 0.560 761 L C 1.096 177.480 176.870 -0.810 0.000 1.285 761 L CA 1.614 55.788 54.840 -1.111 0.000 0.864 761 L CB -1.078 40.113 42.059 -1.446 0.000 1.512 761 L HN 2.265 nan 8.230 nan 0.000 0.853 762 G N 1.766 110.307 108.800 -0.432 0.000 3.090 762 G HA2 0.246 4.204 3.960 -0.004 0.000 0.259 762 G HA3 0.246 4.204 3.960 -0.004 0.000 0.259 762 G C 0.134 175.102 174.900 0.115 0.000 0.797 762 G CA -0.151 44.872 45.100 -0.128 0.000 2.032 762 G HN 0.481 nan 8.290 nan 0.000 0.614 763 W N -0.815 120.250 121.300 -0.391 0.000 3.052 763 W HA 0.546 5.204 4.660 -0.004 0.000 0.366 763 W C 0.552 176.724 176.519 -0.579 0.000 1.438 763 W CA -1.117 55.928 57.345 -0.499 0.000 1.266 763 W CB 0.956 30.016 29.460 -0.666 0.000 1.720 763 W HN 0.200 nan 8.180 nan 0.000 0.657 764 D N -0.878 119.381 120.400 -0.234 0.000 2.399 764 D HA 0.046 4.684 4.640 -0.004 0.000 0.269 764 D C -0.364 175.784 176.300 -0.253 0.000 1.105 764 D CA 0.001 53.773 54.000 -0.380 0.000 0.844 764 D CB 0.766 41.561 40.800 -0.007 0.000 1.372 764 D HN 0.261 nan 8.370 nan 0.000 0.517 765 L N 1.734 122.965 121.223 0.013 0.000 2.728 765 L HA -0.161 4.176 4.340 -0.004 0.000 0.527 765 L C -0.498 176.451 176.870 0.132 0.000 1.002 765 L CA 0.519 55.433 54.840 0.123 0.000 1.273 765 L CB -0.186 41.938 42.059 0.109 0.000 1.435 765 L HN 0.008 nan 8.230 nan 0.000 0.711 766 D N 3.921 124.383 120.400 0.104 0.000 2.398 766 D HA 0.548 5.185 4.640 -0.004 0.000 0.210 766 D C 0.388 176.712 176.300 0.040 0.000 1.094 766 D CA 0.906 54.932 54.000 0.044 0.000 0.839 766 D CB 0.782 41.554 40.800 -0.047 0.000 0.963 766 D HN 0.769 nan 8.370 nan 0.000 0.506 767 A N 0.626 123.478 122.820 0.053 0.000 2.594 767 A HA 0.584 4.901 4.320 -0.004 0.000 0.296 767 A C -1.543 176.074 177.584 0.054 0.000 1.056 767 A CA -0.571 51.490 52.037 0.040 0.000 0.693 767 A CB 1.062 20.050 19.000 -0.020 0.000 1.278 767 A HN 0.025 nan 8.150 nan 0.000 0.408 768 I N 2.121 122.732 120.570 0.068 0.000 2.465 768 I HA 0.507 4.675 4.170 -0.004 0.000 0.291 768 I C -0.549 175.632 176.117 0.107 0.000 1.014 768 I CA -0.402 60.945 61.300 0.078 0.000 1.093 768 I CB 2.038 40.089 38.000 0.084 0.000 1.267 768 I HN 0.654 nan 8.210 nan 0.000 0.431 769 I N 8.448 129.087 120.570 0.114 0.000 2.668 769 I HA 0.367 4.534 4.170 -0.004 0.000 0.276 769 I C -2.349 173.973 176.117 0.342 0.000 1.139 769 I CA -1.983 59.444 61.300 0.212 0.000 1.133 769 I CB 1.381 39.350 38.000 -0.053 0.000 1.327 769 I HN 0.291 nan 8.210 nan 0.000 0.520 770 P HA 0.146 nan 4.420 nan 0.000 0.230 770 P C -1.011 176.494 177.300 0.342 0.000 1.791 770 P CA 0.018 63.293 63.100 0.292 0.000 1.020 770 P CB -0.550 31.217 31.700 0.111 0.000 1.977 771 F N 1.404 121.371 119.950 0.028 0.000 2.350 771 F HA 0.440 4.964 4.527 -0.004 0.000 0.365 771 F C 1.577 177.402 175.800 0.042 0.000 1.122 771 F CA -1.362 56.658 58.000 0.033 0.000 1.139 771 F CB 0.110 39.127 39.000 0.029 0.000 1.220 771 F HN 0.215 nan 8.300 nan 0.000 0.499 772 A N 2.871 125.768 122.820 0.129 0.000 2.748 772 A HA 0.526 4.843 4.320 -0.004 0.000 0.705 772 A C 0.776 178.418 177.584 0.096 0.000 1.002 772 A CA 1.238 53.328 52.037 0.089 0.000 2.322 772 A CB -0.594 18.427 19.000 0.035 0.000 1.310 772 A HN 1.215 nan 8.150 nan 0.000 0.751 773 A N -4.223 118.631 122.820 0.056 0.000 3.269 773 A HA 0.526 4.844 4.320 -0.004 0.000 0.296 773 A C -0.538 177.063 177.584 0.028 0.000 1.061 773 A CA 0.050 52.114 52.037 0.044 0.000 0.577 773 A CB -0.326 18.717 19.000 0.072 0.000 1.557 773 A HN 2.102 nan 8.150 nan 0.000 0.712 774 I N -0.367 120.226 120.570 0.038 0.000 8.905 774 I HA -0.136 4.031 4.170 -0.004 0.000 0.126 774 I C -1.629 174.479 176.117 -0.015 0.000 1.862 774 I CA 0.708 62.036 61.300 0.047 0.000 2.041 774 I CB -1.168 36.903 38.000 0.118 0.000 3.915 774 I HN 0.818 nan 8.210 nan 0.000 0.170 775 P HA 0.066 nan 4.420 nan 0.000 0.224 775 P C -0.786 176.477 177.300 -0.062 0.000 1.190 775 P CA 0.732 63.791 63.100 -0.069 0.000 0.644 775 P CB 0.436 32.108 31.700 -0.046 0.000 0.895 776 E N -1.234 118.947 120.200 -0.030 0.000 7.430 776 E HA -0.012 4.336 4.350 -0.004 0.000 0.193 776 E C -1.103 175.486 176.600 -0.018 0.000 0.907 776 E CA -0.037 56.363 56.400 0.000 0.000 1.679 776 E CB -1.374 28.340 29.700 0.022 0.000 0.895 776 E HN 0.415 nan 8.360 nan 0.000 0.270 777 Q N -0.231 119.568 119.800 -0.000 0.000 2.340 777 Q HA 0.584 4.921 4.340 -0.004 0.000 0.276 777 Q C 0.539 176.556 176.000 0.029 0.000 1.048 777 Q CA -0.342 55.461 55.803 0.001 0.000 0.832 777 Q CB 2.208 30.934 28.738 -0.020 0.000 1.373 777 Q HN 0.678 nan 8.270 nan 0.000 0.409 778 G N 1.494 110.321 108.800 0.044 0.000 2.160 778 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.251 778 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.251 778 G C -0.058 174.904 174.900 0.104 0.000 1.008 778 G CA 0.594 45.735 45.100 0.067 0.000 0.724 778 G HN 0.618 nan 8.290 nan 0.000 0.514 779 I N -2.437 118.186 120.570 0.089 0.000 2.437 779 I HA 0.661 4.829 4.170 -0.004 0.000 0.279 779 I C 0.079 176.231 176.117 0.058 0.000 1.028 779 I CA -1.131 60.229 61.300 0.100 0.000 1.142 779 I CB 1.028 39.082 38.000 0.091 0.000 1.266 779 I HN 0.018 nan 8.210 nan 0.000 0.461 780 E N 3.589 123.798 120.200 0.015 0.000 2.330 780 E HA 0.291 4.639 4.350 -0.004 0.000 0.256 780 E C 0.883 177.452 176.600 -0.052 0.000 1.146 780 E CA -0.816 55.571 56.400 -0.021 0.000 0.945 780 E CB 1.966 31.633 29.700 -0.054 0.000 1.182 780 E HN 0.644 nan 8.360 nan 0.000 0.480 781 L N 0.814 122.013 121.223 -0.039 0.000 2.030 781 L HA -0.340 3.997 4.340 -0.004 0.000 0.222 781 L C 1.813 178.637 176.870 -0.076 0.000 1.082 781 L CA 1.770 56.590 54.840 -0.033 0.000 0.785 781 L CB -0.348 41.696 42.059 -0.025 0.000 0.895 781 L HN 0.624 nan 8.230 nan 0.000 0.439 782 E N -0.684 119.414 120.200 -0.170 0.000 1.907 782 E HA -0.243 4.104 4.350 -0.004 0.000 0.234 782 E C 0.455 176.946 176.600 -0.182 0.000 0.881 782 E CA 1.448 57.684 56.400 -0.273 0.000 0.985 782 E CB -0.561 28.738 29.700 -0.668 0.000 0.795 782 E HN 0.489 nan 8.360 nan 0.000 0.595 783 H N 0.232 119.317 119.070 0.024 0.000 3.070 783 H HA 0.088 4.642 4.556 -0.004 0.000 0.313 783 H C 0.759 176.104 175.328 0.029 0.000 0.997 783 H CA 0.861 56.922 56.048 0.022 0.000 1.438 783 H CB 0.857 30.631 29.762 0.020 0.000 1.455 783 H HN 0.394 nan 8.280 nan 0.000 0.575 784 I N 0.993 121.635 120.570 0.119 0.000 5.422 784 I HA -0.051 4.116 4.170 -0.004 0.000 0.352 784 I C -0.230 175.932 176.117 0.076 0.000 1.144 784 I CA -0.135 61.216 61.300 0.086 0.000 1.603 784 I CB 0.412 38.448 38.000 0.059 0.000 1.902 784 I HN 0.555 nan 8.210 nan 0.000 0.651 785 D N 2.545 122.982 120.400 0.062 0.000 2.261 785 D HA 0.145 4.783 4.640 -0.004 0.000 0.233 785 D C 0.982 177.315 176.300 0.054 0.000 1.348 785 D CA 1.010 55.040 54.000 0.050 0.000 0.886 785 D CB 0.277 41.098 40.800 0.035 0.000 1.227 785 D HN 0.665 nan 8.370 nan 0.000 0.498 786 S N -0.953 114.776 115.700 0.048 0.000 3.790 786 S HA -0.473 3.994 4.470 -0.004 0.000 0.628 786 S C 1.307 175.962 174.600 0.091 0.000 2.348 786 S CA 1.069 59.297 58.200 0.047 0.000 3.927 786 S CB -1.475 61.733 63.200 0.014 0.000 0.236 786 S HN 1.003 nan 8.310 nan 0.000 0.953 787 K N 0.236 120.676 120.400 0.067 0.000 2.163 787 K HA -0.339 3.978 4.320 -0.004 0.000 0.222 787 K C 2.367 179.086 176.600 0.199 0.000 0.990 787 K CA 2.925 59.282 56.287 0.117 0.000 0.959 787 K CB -1.079 31.460 32.500 0.065 0.000 0.882 787 K HN 0.571 nan 8.250 nan 0.000 0.472 788 S N 0.077 115.863 115.700 0.144 0.000 2.377 788 S HA -0.260 4.207 4.470 -0.004 0.000 0.224 788 S C 1.798 176.510 174.600 0.188 0.000 1.042 788 S CA 1.942 60.233 58.200 0.153 0.000 1.086 788 S CB -0.435 62.841 63.200 0.127 0.000 0.995 788 S HN 0.487 nan 8.310 nan 0.000 0.428 789 E N 0.305 120.597 120.200 0.153 0.000 2.065 789 E HA -0.243 4.104 4.350 -0.004 0.000 0.201 789 E C 1.739 178.439 176.600 0.165 0.000 1.016 789 E CA 1.583 58.052 56.400 0.115 0.000 0.818 789 E CB -0.365 29.378 29.700 0.071 0.000 0.749 789 E HN 0.429 nan 8.360 nan 0.000 0.453 790 F N 1.017 120.987 119.950 0.033 0.000 2.000 790 F HA -0.265 4.259 4.527 -0.004 0.000 0.296 790 F C 2.138 177.972 175.800 0.057 0.000 1.159 790 F CA 2.109 60.124 58.000 0.026 0.000 1.183 790 F CB -1.290 37.718 39.000 0.013 0.000 0.959 790 F HN 0.158 nan 8.300 nan 0.000 0.490 791 A N 0.440 123.337 122.820 0.128 0.000 1.901 791 A HA -0.440 3.877 4.320 -0.004 0.000 0.227 791 A C 2.347 179.927 177.584 -0.006 0.000 1.551 791 A CA 2.561 54.601 52.037 0.005 0.000 0.769 791 A CB -2.076 16.998 19.000 0.123 0.000 0.845 791 A HN 0.783 nan 8.150 nan 0.000 0.481 792 H N 0.122 119.180 119.070 -0.020 0.000 2.355 792 H HA -0.260 4.293 4.556 -0.004 0.000 0.282 792 H C 2.213 177.501 175.328 -0.067 0.000 1.131 792 H CA 2.721 58.755 56.048 -0.024 0.000 1.158 792 H CB -0.255 29.506 29.762 -0.001 0.000 1.351 792 H HN 0.609 nan 8.280 nan 0.000 0.469 793 R N 0.150 120.712 120.500 0.102 0.000 2.055 793 R HA -0.043 4.294 4.340 -0.004 0.000 0.226 793 R C 2.840 179.073 176.300 -0.111 0.000 1.135 793 R CA 1.190 57.284 56.100 -0.010 0.000 0.959 793 R CB -0.574 29.678 30.300 -0.080 0.000 0.854 793 R HN 0.423 nan 8.270 nan 0.000 0.431 794 I N 0.687 121.087 120.570 -0.283 0.000 2.454 794 I HA -0.214 3.954 4.170 -0.004 0.000 0.254 794 I C 2.054 178.090 176.117 -0.136 0.000 1.156 794 I CA 1.065 62.181 61.300 -0.306 0.000 1.433 794 I CB 0.175 37.811 38.000 -0.608 0.000 1.082 794 I HN 0.268 nan 8.210 nan 0.000 0.432 795 M N -0.633 118.908 119.600 -0.099 0.000 2.561 795 M HA 0.073 4.551 4.480 -0.004 0.000 0.238 795 M C 0.889 177.153 176.300 -0.059 0.000 1.131 795 M CA 0.794 56.063 55.300 -0.051 0.000 1.046 795 M CB 0.257 32.841 32.600 -0.028 0.000 1.532 795 M HN 0.441 nan 8.290 nan 0.000 0.497 796 L N -6.335 114.862 121.223 -0.043 0.000 1.848 796 L HA 0.324 4.661 4.340 -0.004 0.000 0.113 796 L C 1.300 178.156 176.870 -0.023 0.000 1.456 796 L CA -0.028 54.788 54.840 -0.040 0.000 1.065 796 L CB -0.681 41.352 42.059 -0.042 0.000 2.149 796 L HN -0.198 nan 8.230 nan 0.000 0.462 797 T N 2.019 116.574 114.554 0.003 0.000 2.238 797 T HA -0.255 4.093 4.350 -0.004 0.000 0.209 797 T C 1.516 176.200 174.700 -0.027 0.000 1.608 797 T CA 2.987 65.080 62.100 -0.011 0.000 1.140 797 T CB -0.966 67.897 68.868 -0.010 0.000 0.854 797 T HN 0.610 nan 8.240 nan 0.000 0.402 798 N N 1.626 120.311 118.700 -0.026 0.000 2.089 798 N HA -0.158 4.580 4.740 -0.004 0.000 0.198 798 N C 1.986 177.495 175.510 -0.001 0.000 1.017 798 N CA 1.815 54.860 53.050 -0.008 0.000 0.880 798 N CB -0.807 37.686 38.487 0.009 0.000 1.042 798 N HN 0.511 nan 8.380 nan 0.000 0.446 799 I N 1.469 122.037 120.570 -0.003 0.000 2.113 799 I HA -0.302 3.866 4.170 -0.004 0.000 0.242 799 I C 2.333 178.422 176.117 -0.046 0.000 1.064 799 I CA 1.104 62.399 61.300 -0.009 0.000 1.320 799 I CB -0.601 37.384 38.000 -0.025 0.000 1.028 799 I HN 0.080 nan 8.210 nan 0.000 0.406 800 L N 0.531 121.715 121.223 -0.064 0.000 1.951 800 L HA -0.296 4.042 4.340 -0.004 0.000 0.222 800 L C 2.739 179.536 176.870 -0.121 0.000 1.078 800 L CA 2.155 56.931 54.840 -0.106 0.000 0.778 800 L CB -1.464 40.542 42.059 -0.088 0.000 0.893 800 L HN 0.300 nan 8.230 nan 0.000 0.436 801 R N -0.874 119.575 120.500 -0.084 0.000 2.119 801 R HA -0.226 4.111 4.340 -0.004 0.000 0.246 801 R C 2.449 178.709 176.300 -0.068 0.000 1.146 801 R CA 1.749 57.803 56.100 -0.076 0.000 0.962 801 R CB -0.203 30.072 30.300 -0.041 0.000 0.863 801 R HN 0.289 nan 8.270 nan 0.000 0.442 802 M N -0.295 119.284 119.600 -0.035 0.000 2.163 802 M HA -0.338 4.139 4.480 -0.004 0.000 0.258 802 M C 2.316 178.584 176.300 -0.053 0.000 1.071 802 M CA 2.187 57.478 55.300 -0.014 0.000 1.093 802 M CB -0.319 32.287 32.600 0.009 0.000 1.285 802 M HN 0.295 nan 8.290 nan 0.000 0.420 803 M N -0.755 118.792 119.600 -0.089 0.000 2.082 803 M HA -0.183 4.294 4.480 -0.004 0.000 0.258 803 M C 2.235 178.424 176.300 -0.185 0.000 1.071 803 M CA 1.979 57.197 55.300 -0.137 0.000 1.103 803 M CB -1.442 31.016 32.600 -0.237 0.000 1.307 803 M HN 0.493 nan 8.290 nan 0.000 0.409 804 G N 0.439 109.104 108.800 -0.226 0.000 2.719 804 G HA2 -0.314 3.643 3.960 -0.004 0.000 0.219 804 G HA3 -0.314 3.643 3.960 -0.004 0.000 0.219 804 G C 1.498 176.306 174.900 -0.154 0.000 1.234 804 G CA 1.614 46.583 45.100 -0.219 0.000 0.788 804 G HN 0.559 nan 8.290 nan 0.000 0.619 805 C N -0.094 119.136 119.300 -0.116 0.000 2.385 805 C HA -0.089 4.368 4.460 -0.004 0.000 0.275 805 C C 3.133 178.031 174.990 -0.153 0.000 1.207 805 C CA 0.986 59.936 59.018 -0.113 0.000 1.760 805 C CB -1.321 26.373 27.740 -0.077 0.000 2.051 805 C HN 0.335 nan 8.230 nan 0.000 0.467 806 V N 1.853 121.698 119.914 -0.116 0.000 2.332 806 V HA -0.257 3.861 4.120 -0.004 0.000 0.248 806 V C 2.630 178.670 176.094 -0.090 0.000 1.055 806 V CA 2.152 64.394 62.300 -0.097 0.000 1.038 806 V CB -0.864 30.976 31.823 0.029 0.000 0.651 806 V HN 0.513 nan 8.190 nan 0.000 0.450 807 K N 1.275 121.627 120.400 -0.080 0.000 1.977 807 K HA -0.288 4.030 4.320 -0.004 0.000 0.218 807 K C 2.201 178.765 176.600 -0.059 0.000 1.051 807 K CA 2.515 58.775 56.287 -0.045 0.000 0.953 807 K CB -0.539 31.897 32.500 -0.107 0.000 0.727 807 K HN 0.353 nan 8.250 nan 0.000 0.445 808 K N 1.092 121.436 120.400 -0.094 0.000 1.988 808 K HA -0.252 4.065 4.320 -0.004 0.000 0.221 808 K C 2.270 178.796 176.600 -0.123 0.000 1.053 808 K CA 2.372 58.606 56.287 -0.090 0.000 0.959 808 K CB -0.945 31.497 32.500 -0.095 0.000 0.728 808 K HN 0.238 nan 8.250 nan 0.000 0.447 809 Q N 0.624 120.289 119.800 -0.224 0.000 2.105 809 Q HA -0.271 4.067 4.340 -0.004 0.000 0.217 809 Q C 1.783 177.640 176.000 -0.237 0.000 1.029 809 Q CA 2.623 58.196 55.803 -0.382 0.000 0.899 809 Q CB -0.241 27.965 28.738 -0.885 0.000 1.000 809 Q HN 0.442 nan 8.270 nan 0.000 0.414 810 K N -0.993 119.330 120.400 -0.128 0.000 1.965 810 K HA -0.088 4.230 4.320 -0.004 0.000 0.214 810 K C 2.156 178.779 176.600 0.037 0.000 1.042 810 K CA 1.156 57.482 56.287 0.065 0.000 0.950 810 K CB -0.749 31.830 32.500 0.131 0.000 0.733 810 K HN 0.229 nan 8.250 nan 0.000 0.441 811 S N 0.733 116.449 115.700 0.026 0.000 2.432 811 S HA -0.312 4.156 4.470 -0.004 0.000 0.243 811 S C 1.840 176.446 174.600 0.010 0.000 1.069 811 S CA 1.580 59.794 58.200 0.023 0.000 1.047 811 S CB -0.390 62.820 63.200 0.017 0.000 0.854 811 S HN 0.415 nan 8.310 nan 0.000 0.474 812 A N 1.896 124.710 122.820 -0.009 0.000 1.829 812 A HA -0.143 4.175 4.320 -0.004 0.000 0.216 812 A C 2.187 179.778 177.584 0.011 0.000 1.207 812 A CA 1.753 53.784 52.037 -0.011 0.000 0.622 812 A CB -0.944 18.035 19.000 -0.035 0.000 0.846 812 A HN 0.681 nan 8.150 nan 0.000 0.447 813 R N -1.503 119.013 120.500 0.028 0.000 2.097 813 R HA -0.001 4.337 4.340 -0.004 0.000 0.236 813 R C 1.435 177.760 176.300 0.042 0.000 1.135 813 R CA 1.404 57.531 56.100 0.045 0.000 0.934 813 R CB -0.377 29.970 30.300 0.077 0.000 0.846 813 R HN 0.846 nan 8.270 nan 0.000 0.431 814 G N -0.978 107.852 108.800 0.050 0.000 3.216 814 G HA2 -0.045 3.913 3.960 -0.004 0.000 0.221 814 G HA3 -0.045 3.913 3.960 -0.004 0.000 0.221 814 G C 0.022 174.953 174.900 0.053 0.000 0.949 814 G CA -0.692 44.434 45.100 0.043 0.000 0.952 814 G HN 0.039 nan 8.290 nan 0.000 0.657 815 I N 2.027 122.640 120.570 0.071 0.000 3.309 815 I HA 0.136 4.304 4.170 -0.004 0.000 0.287 815 I C 1.130 177.292 176.117 0.075 0.000 1.221 815 I CA 0.259 61.609 61.300 0.083 0.000 1.575 815 I CB -0.972 37.103 38.000 0.126 0.000 1.254 815 I HN 0.305 nan 8.210 nan 0.000 0.600 816 E N 1.180 121.414 120.200 0.056 0.000 2.403 816 E HA 0.006 4.354 4.350 -0.004 0.000 0.187 816 E C 0.763 177.390 176.600 0.044 0.000 1.073 816 E CA 0.172 56.600 56.400 0.047 0.000 0.888 816 E CB 0.254 29.973 29.700 0.031 0.000 1.035 816 E HN 0.493 nan 8.360 nan 0.000 0.471 817 T N -1.661 112.923 114.554 0.050 0.000 3.584 817 T HA 0.330 4.677 4.350 -0.004 0.000 0.259 817 T C 0.099 174.829 174.700 0.050 0.000 1.009 817 T CA -0.747 61.379 62.100 0.045 0.000 1.103 817 T CB 0.035 68.924 68.868 0.034 0.000 1.099 817 T HN 0.056 nan 8.240 nan 0.000 0.539 818 R N 0.989 121.528 120.500 0.065 0.000 2.385 818 R HA 0.153 4.491 4.340 -0.004 0.000 0.148 818 R C -3.004 173.349 176.300 0.089 0.000 1.086 818 R CA -0.595 55.543 56.100 0.063 0.000 0.827 818 R CB 0.428 30.757 30.300 0.049 0.000 1.260 818 R HN 0.332 nan 8.270 nan 0.000 0.617 819 P HA 0.092 nan 4.420 nan 0.000 0.272 819 P C -0.667 176.716 177.300 0.138 0.000 1.243 819 P CA 0.032 63.221 63.100 0.147 0.000 0.803 819 P CB 0.757 32.567 31.700 0.185 0.000 0.974 820 A N 0.119 123.037 122.820 0.164 0.000 2.365 820 A HA 0.384 4.702 4.320 -0.004 0.000 0.318 820 A C -0.134 177.538 177.584 0.147 0.000 1.091 820 A CA -0.720 51.398 52.037 0.136 0.000 0.763 820 A CB 0.991 20.077 19.000 0.143 0.000 1.248 820 A HN 0.582 nan 8.150 nan 0.000 0.442 821 Q N 0.625 120.487 119.800 0.103 0.000 2.306 821 Q HA 0.553 4.891 4.340 -0.004 0.000 0.241 821 Q C -1.296 174.762 176.000 0.098 0.000 0.948 821 Q CA -0.222 55.638 55.803 0.095 0.000 0.886 821 Q CB 1.041 29.810 28.738 0.053 0.000 1.227 821 Q HN 0.527 nan 8.270 nan 0.000 0.457 822 V N 5.756 125.729 119.914 0.099 0.000 2.380 822 V HA 0.182 4.300 4.120 -0.004 0.000 0.272 822 V C -0.045 176.096 176.094 0.078 0.000 1.011 822 V CA -0.522 61.834 62.300 0.093 0.000 0.826 822 V CB 0.804 32.684 31.823 0.096 0.000 1.040 822 V HN 0.730 nan 8.190 nan 0.000 0.441 823 I N 2.974 123.616 120.570 0.120 0.000 2.710 823 I HA 0.117 4.285 4.170 -0.004 0.000 0.307 823 I C 0.329 176.519 176.117 0.120 0.000 1.175 823 I CA 0.167 61.561 61.300 0.157 0.000 2.125 823 I CB -0.636 37.507 38.000 0.239 0.000 1.576 823 I HN 0.384 nan 8.210 nan 0.000 0.995 824 L N 6.441 127.655 121.223 -0.016 0.000 2.654 824 L HA 0.145 4.483 4.340 -0.004 0.000 0.271 824 L C -1.742 174.980 176.870 -0.247 0.000 1.169 824 L CA -1.364 53.382 54.840 -0.156 0.000 0.947 824 L CB -0.553 41.397 42.059 -0.182 0.000 1.232 824 L HN 0.308 nan 8.230 nan 0.000 0.486 825 P HA 0.052 nan 4.420 nan 0.000 0.264 825 P C -0.310 176.830 177.300 -0.266 0.000 1.229 825 P CA 0.151 62.914 63.100 -0.561 0.000 0.780 825 P CB 0.744 31.726 31.700 -1.198 0.000 0.808 826 M N 1.655 121.183 119.600 -0.119 0.000 2.369 826 M HA 0.371 4.849 4.480 -0.004 0.000 0.291 826 M C 0.744 176.985 176.300 -0.098 0.000 1.178 826 M CA -0.401 54.862 55.300 -0.062 0.000 0.996 826 M CB 0.925 33.551 32.600 0.042 0.000 1.472 826 M HN 0.241 nan 8.290 nan 0.000 0.496 827 S N 0.637 116.241 115.700 -0.160 0.000 2.526 827 S HA 0.582 5.049 4.470 -0.004 0.000 0.293 827 S C -2.122 172.185 174.600 -0.488 0.000 1.092 827 S CA -1.473 56.543 58.200 -0.307 0.000 0.980 827 S CB 1.848 64.761 63.200 -0.477 0.000 1.048 827 S HN 0.472 nan 8.310 nan 0.000 0.483 828 P HA 0.139 nan 4.420 nan 0.000 0.224 828 P C -0.438 176.719 177.300 -0.238 0.000 1.159 828 P CA 0.428 63.410 63.100 -0.196 0.000 0.824 828 P CB 0.120 31.821 31.700 0.001 0.000 0.833 829 N N 1.029 119.620 118.700 -0.182 0.000 3.012 829 N HA 0.109 4.846 4.740 -0.004 0.000 0.270 829 N C -0.293 175.260 175.510 0.071 0.000 1.469 829 N CA -0.244 52.840 53.050 0.057 0.000 0.928 829 N CB -0.067 38.626 38.487 0.344 0.000 1.219 829 N HN 0.491 nan 8.380 nan 0.000 0.492 830 H N -1.427 117.670 119.070 0.045 0.000 2.552 830 H HA 0.432 4.986 4.556 -0.004 0.000 0.311 830 H C 1.008 176.353 175.328 0.029 0.000 1.071 830 H CA -0.710 55.326 56.048 -0.019 0.000 1.307 830 H CB 1.379 31.077 29.762 -0.107 0.000 1.416 830 H HN 0.468 nan 8.280 nan 0.000 0.464 831 G N 3.059 111.968 108.800 0.181 0.000 2.195 831 G HA2 -0.384 3.573 3.960 -0.004 0.000 0.246 831 G HA3 -0.384 3.573 3.960 -0.004 0.000 0.246 831 G C 0.963 175.962 174.900 0.165 0.000 0.984 831 G CA 0.493 45.673 45.100 0.132 0.000 0.633 831 G HN 0.602 nan 8.290 nan 0.000 0.525 832 T N 1.036 115.730 114.554 0.233 0.000 2.496 832 T HA 0.155 4.503 4.350 -0.004 0.000 0.254 832 T C 1.764 176.616 174.700 0.253 0.000 1.161 832 T CA 1.645 63.891 62.100 0.243 0.000 1.231 832 T CB -0.330 68.735 68.868 0.327 0.000 0.866 832 T HN 0.230 nan 8.240 nan 0.000 0.396 833 F N 0.902 120.901 119.950 0.082 0.000 2.057 833 F HA 0.221 4.746 4.527 -0.004 0.000 0.307 833 F C 2.122 177.959 175.800 0.062 0.000 1.537 833 F CA 1.313 59.357 58.000 0.074 0.000 1.212 833 F CB -1.134 37.906 39.000 0.067 0.000 0.907 833 F HN 0.381 nan 8.300 nan 0.000 0.566 834 G N -1.828 107.164 108.800 0.320 0.000 3.088 834 G HA2 0.380 4.338 3.960 -0.004 0.000 0.197 834 G HA3 0.380 4.338 3.960 -0.004 0.000 0.197 834 G C 0.409 175.388 174.900 0.132 0.000 1.611 834 G CA -0.007 45.197 45.100 0.173 0.000 0.771 834 G HN 0.711 nan 8.290 nan 0.000 0.789 835 G N 1.134 109.996 108.800 0.103 0.000 2.764 835 G HA2 0.228 4.185 3.960 -0.004 0.000 0.278 835 G HA3 0.228 4.185 3.960 -0.004 0.000 0.278 835 G C 0.622 175.562 174.900 0.067 0.000 0.686 835 G CA 0.627 45.773 45.100 0.077 0.000 2.105 835 G HN 0.400 nan 8.290 nan 0.000 0.562 836 D N 1.602 122.051 120.400 0.081 0.000 2.123 836 D HA 0.052 4.690 4.640 -0.004 0.000 0.200 836 D C 1.854 178.206 176.300 0.087 0.000 0.976 836 D CA 1.785 55.836 54.000 0.086 0.000 0.831 836 D CB 0.127 40.998 40.800 0.118 0.000 0.974 836 D HN 0.519 nan 8.370 nan 0.000 0.469 837 G N 0.487 109.335 108.800 0.080 0.000 4.045 837 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.261 837 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.261 837 G C 0.788 175.742 174.900 0.090 0.000 1.772 837 G CA 0.421 45.571 45.100 0.083 0.000 1.264 837 G HN 0.367 nan 8.290 nan 0.000 0.609 838 M N -0.591 119.067 119.600 0.098 0.000 2.722 838 M HA 0.266 4.744 4.480 -0.004 0.000 0.451 838 M C 1.023 177.319 176.300 -0.008 0.000 1.225 838 M CA 0.031 55.366 55.300 0.058 0.000 0.874 838 M CB 1.062 33.746 32.600 0.139 0.000 1.736 838 M HN 0.416 nan 8.290 nan 0.000 0.584 839 Y N 1.807 122.071 120.300 -0.061 0.000 2.333 839 Y HA -0.181 4.366 4.550 -0.004 0.000 0.290 839 Y C 2.161 178.017 175.900 -0.073 0.000 1.144 839 Y CA 1.943 59.992 58.100 -0.085 0.000 1.228 839 Y CB -0.103 38.304 38.460 -0.089 0.000 0.985 839 Y HN 0.339 nan 8.280 nan 0.000 0.542 840 S N 0.026 115.615 115.700 -0.185 0.000 2.341 840 S HA -0.161 4.306 4.470 -0.004 0.000 0.204 840 S C 1.699 176.188 174.600 -0.186 0.000 1.038 840 S CA 0.930 59.022 58.200 -0.180 0.000 1.013 840 S CB -0.872 62.322 63.200 -0.010 0.000 0.994 840 S HN 0.393 nan 8.310 nan 0.000 0.430 841 E N 2.035 122.153 120.200 -0.137 0.000 2.197 841 E HA -0.142 4.206 4.350 -0.004 0.000 0.205 841 E C 2.218 178.638 176.600 -0.299 0.000 1.029 841 E CA 1.616 57.919 56.400 -0.161 0.000 0.828 841 E CB -0.724 28.931 29.700 -0.074 0.000 0.737 841 E HN 0.506 nan 8.360 nan 0.000 0.464 842 S N 0.183 115.624 115.700 -0.432 0.000 2.344 842 S HA -0.158 4.309 4.470 -0.004 0.000 0.217 842 S C 1.690 176.126 174.600 -0.274 0.000 1.033 842 S CA 1.032 58.951 58.200 -0.469 0.000 1.017 842 S CB -0.138 62.850 63.200 -0.353 0.000 0.941 842 S HN 0.121 nan 8.310 nan 0.000 0.430 843 K N 1.238 121.465 120.400 -0.288 0.000 1.980 843 K HA -0.127 4.191 4.320 -0.004 0.000 0.223 843 K C 2.127 178.675 176.600 -0.087 0.000 1.052 843 K CA 1.165 57.320 56.287 -0.219 0.000 0.974 843 K CB -1.420 30.864 32.500 -0.359 0.000 0.734 843 K HN 0.288 nan 8.250 nan 0.000 0.447 844 L N 1.813 123.028 121.223 -0.014 0.000 2.095 844 L HA -0.349 3.989 4.340 -0.004 0.000 0.229 844 L C 2.145 178.979 176.870 -0.060 0.000 1.097 844 L CA 2.336 57.132 54.840 -0.073 0.000 0.813 844 L CB -1.146 40.773 42.059 -0.233 0.000 0.907 844 L HN 0.192 nan 8.230 nan 0.000 0.445 845 S N -0.534 115.120 115.700 -0.077 0.000 2.359 845 S HA -0.226 4.241 4.470 -0.004 0.000 0.223 845 S C 1.922 176.500 174.600 -0.037 0.000 1.039 845 S CA 1.685 59.858 58.200 -0.045 0.000 1.042 845 S CB -0.642 62.533 63.200 -0.041 0.000 0.915 845 S HN 0.557 nan 8.310 nan 0.000 0.439 846 L N 1.087 122.268 121.223 -0.069 0.000 2.198 846 L HA -0.294 4.044 4.340 -0.004 0.000 0.218 846 L C 2.391 179.184 176.870 -0.129 0.000 1.084 846 L CA 1.498 56.277 54.840 -0.103 0.000 0.779 846 L CB -0.653 41.330 42.059 -0.128 0.000 0.890 846 L HN 0.384 nan 8.230 nan 0.000 0.439 847 E N -0.989 119.203 120.200 -0.014 0.000 2.265 847 E HA -0.165 4.182 4.350 -0.004 0.000 0.196 847 E C 1.990 178.680 176.600 0.149 0.000 0.996 847 E CA 1.453 57.941 56.400 0.146 0.000 0.832 847 E CB -0.013 29.842 29.700 0.257 0.000 0.756 847 E HN 0.466 nan 8.360 nan 0.000 0.491 848 T N 1.034 115.628 114.554 0.065 0.000 2.720 848 T HA -0.163 4.184 4.350 -0.004 0.000 0.268 848 T C 1.753 176.511 174.700 0.096 0.000 1.037 848 T CA 0.757 62.911 62.100 0.091 0.000 1.144 848 T CB -0.222 68.682 68.868 0.059 0.000 0.864 848 T HN 0.159 nan 8.240 nan 0.000 0.444 849 L N -0.145 121.076 121.223 -0.004 0.000 2.357 849 L HA -0.156 4.181 4.340 -0.004 0.000 0.220 849 L C 2.025 178.910 176.870 0.026 0.000 1.123 849 L CA 1.312 56.157 54.840 0.009 0.000 0.782 849 L CB -0.553 41.422 42.059 -0.140 0.000 0.910 849 L HN 0.307 nan 8.230 nan 0.000 0.442 850 F N -0.593 119.418 119.950 0.102 0.000 2.187 850 F HA -0.133 4.391 4.527 -0.004 0.000 0.295 850 F C 2.317 178.148 175.800 0.050 0.000 1.091 850 F CA 0.835 58.858 58.000 0.037 0.000 1.308 850 F CB -0.174 38.833 39.000 0.011 0.000 1.030 850 F HN 0.142 nan 8.300 nan 0.000 0.487 851 N N -0.045 118.829 118.700 0.290 0.000 2.494 851 N HA -0.035 4.702 4.740 -0.004 0.000 0.182 851 N C 1.818 177.459 175.510 0.218 0.000 1.076 851 N CA 0.327 53.522 53.050 0.242 0.000 0.908 851 N CB -0.113 38.492 38.487 0.196 0.000 0.967 851 N HN 0.230 nan 8.380 nan 0.000 0.449 852 R N 0.452 121.093 120.500 0.235 0.000 2.070 852 R HA -0.113 4.224 4.340 -0.004 0.000 0.227 852 R C 1.763 178.156 176.300 0.154 0.000 1.147 852 R CA 0.742 57.024 56.100 0.303 0.000 0.924 852 R CB -1.128 29.464 30.300 0.487 0.000 0.827 852 R HN 0.283 nan 8.270 nan 0.000 0.431 853 W N 1.912 123.069 121.300 -0.238 0.000 2.233 853 W HA -0.252 4.405 4.660 -0.004 0.000 0.306 853 W C 0.266 176.406 176.519 -0.633 0.000 1.260 853 W CA 1.738 58.590 57.345 -0.823 0.000 1.276 853 W CB -0.145 28.922 29.460 -0.655 0.000 1.127 853 W HN 0.200 nan 8.180 nan 0.000 0.530 854 H N -0.631 118.459 119.070 0.034 0.000 2.467 854 H HA 0.317 4.870 4.556 -0.004 0.000 0.326 854 H C 1.215 176.507 175.328 -0.059 0.000 1.094 854 H CA 0.407 56.445 56.048 -0.017 0.000 1.253 854 H CB 1.515 31.343 29.762 0.111 0.000 1.439 854 H HN 0.079 nan 8.280 nan 0.000 0.479 855 S N 1.809 117.517 115.700 0.014 0.000 1.312 855 S HA -0.183 4.285 4.470 -0.004 0.000 0.250 855 S C 0.088 174.678 174.600 -0.016 0.000 0.638 855 S CA 0.459 58.665 58.200 0.009 0.000 1.075 855 S CB -1.390 61.849 63.200 0.064 0.000 1.133 855 S HN 0.577 nan 8.310 nan 0.000 0.493 856 E N 3.192 123.382 120.200 -0.016 0.000 2.194 856 E HA 0.485 4.833 4.350 -0.004 0.000 0.284 856 E C 0.055 176.636 176.600 -0.031 0.000 1.035 856 E CA 0.222 56.694 56.400 0.120 0.000 0.836 856 E CB 1.280 31.278 29.700 0.496 0.000 1.070 856 E HN 0.627 nan 8.360 nan 0.000 0.401 857 S N 5.304 121.040 115.700 0.061 0.000 2.671 857 S HA -0.017 4.450 4.470 -0.004 0.000 0.331 857 S C 0.209 174.902 174.600 0.153 0.000 1.182 857 S CA -0.435 57.765 58.200 -0.001 0.000 1.276 857 S CB -0.537 62.677 63.200 0.023 0.000 1.360 857 S HN 0.832 nan 8.310 nan 0.000 0.563 858 W N 0.561 121.735 121.300 -0.209 0.000 0.594 858 W HA 0.321 4.978 4.660 -0.004 0.000 0.138 858 W C 0.275 176.633 176.519 -0.268 0.000 0.613 858 W CA -0.131 57.106 57.345 -0.181 0.000 0.410 858 W CB -0.706 28.681 29.460 -0.122 0.000 0.698 858 W HN 0.613 nan 8.180 nan 0.000 0.351 859 A N 1.701 124.075 122.820 -0.743 0.000 2.239 859 A HA -0.037 4.280 4.320 -0.004 0.000 0.209 859 A C 1.460 178.879 177.584 -0.275 0.000 1.171 859 A CA 1.098 52.507 52.037 -1.048 0.000 0.768 859 A CB -0.655 17.102 19.000 -2.070 0.000 0.790 859 A HN 0.338 nan 8.150 nan 0.000 0.478 860 N N -0.211 118.415 118.700 -0.124 0.000 2.270 860 N HA -0.013 4.724 4.740 -0.004 0.000 0.198 860 N C 0.726 176.287 175.510 0.086 0.000 1.117 860 N CA 0.527 53.579 53.050 0.003 0.000 0.845 860 N CB 0.423 38.901 38.487 -0.014 0.000 0.980 860 N HN 0.753 nan 8.380 nan 0.000 0.486 861 Q N -0.670 119.218 119.800 0.145 0.000 2.330 861 Q HA 0.258 4.596 4.340 -0.004 0.000 0.254 861 Q C 0.416 176.566 176.000 0.249 0.000 0.777 861 Q CA 0.247 56.159 55.803 0.182 0.000 0.972 861 Q CB 1.607 30.445 28.738 0.166 0.000 1.236 861 Q HN 0.101 nan 8.270 nan 0.000 0.508 862 L N 1.587 123.031 121.223 0.368 0.000 2.341 862 L HA 0.678 5.016 4.340 -0.004 0.000 0.267 862 L C -0.855 176.364 176.870 0.581 0.000 1.009 862 L CA -0.556 54.570 54.840 0.476 0.000 0.819 862 L CB 2.420 44.886 42.059 0.679 0.000 1.323 862 L HN -0.126 nan 8.230 nan 0.000 0.425 863 T N 0.959 115.791 114.554 0.463 0.000 2.965 863 T HA 0.341 4.688 4.350 -0.004 0.000 0.306 863 T C 0.013 174.794 174.700 0.135 0.000 0.991 863 T CA -0.372 61.934 62.100 0.344 0.000 1.001 863 T CB 1.704 70.680 68.868 0.180 0.000 0.984 863 T HN 0.161 nan 8.240 nan 0.000 0.446 864 V N 1.619 121.515 119.914 -0.029 0.000 3.566 864 V HA 0.367 4.485 4.120 -0.004 0.000 0.301 864 V C 0.795 176.863 176.094 -0.044 0.000 1.105 864 V CA -0.318 61.949 62.300 -0.055 0.000 1.142 864 V CB 1.093 32.829 31.823 -0.146 0.000 1.107 864 V HN 1.133 nan 8.190 nan 0.000 0.481 865 C N 2.114 121.436 119.300 0.037 0.000 3.015 865 C HA 0.458 4.916 4.460 -0.004 0.000 0.372 865 C C 0.596 175.686 174.990 0.166 0.000 1.057 865 C CA -0.468 58.622 59.018 0.120 0.000 1.328 865 C CB -0.941 26.833 27.740 0.057 0.000 1.661 865 C HN 1.325 nan 8.230 nan 0.000 0.471 866 G N 2.975 112.009 108.800 0.389 0.000 2.332 866 G HA2 0.570 4.528 3.960 -0.004 0.000 0.311 866 G HA3 0.570 4.528 3.960 -0.004 0.000 0.311 866 G C 0.605 175.608 174.900 0.172 0.000 1.392 866 G CA 0.221 45.546 45.100 0.375 0.000 1.110 866 G HN 2.578 nan 8.290 nan 0.000 0.594 867 A N -2.396 120.507 122.820 0.138 0.000 1.825 867 A HA 0.084 4.401 4.320 -0.004 0.000 0.234 867 A C 1.063 178.692 177.584 0.074 0.000 2.858 867 A CA 0.163 52.263 52.037 0.105 0.000 2.159 867 A CB -1.241 17.837 19.000 0.129 0.000 0.258 867 A HN 0.513 nan 8.150 nan 0.000 0.969 868 I N 1.385 121.995 120.570 0.067 0.000 2.185 868 I HA -0.235 3.933 4.170 -0.004 0.000 0.246 868 I C 1.257 177.385 176.117 0.019 0.000 1.088 868 I CA 1.820 63.140 61.300 0.034 0.000 1.347 868 I CB -0.498 37.526 38.000 0.039 0.000 1.041 868 I HN 0.802 nan 8.210 nan 0.000 0.415 869 I N 0.933 121.521 120.570 0.029 0.000 2.990 869 I HA -0.222 3.946 4.170 -0.004 0.000 0.126 869 I C 0.344 176.451 176.117 -0.018 0.000 0.911 869 I CA 0.532 61.826 61.300 -0.009 0.000 2.775 869 I CB -1.617 36.384 38.000 0.001 0.000 0.775 869 I HN 0.203 nan 8.210 nan 0.000 0.350 870 G N 4.392 113.185 108.800 -0.013 0.000 2.600 870 G HA2 0.532 4.489 3.960 -0.004 0.000 0.303 870 G HA3 0.532 4.489 3.960 -0.004 0.000 0.303 870 G C -1.024 173.931 174.900 0.091 0.000 1.253 870 G CA -0.933 44.196 45.100 0.048 0.000 0.974 870 G HN 0.958 nan 8.290 nan 0.000 0.483 871 W N 0.102 121.401 121.300 -0.002 0.000 3.611 871 W HA -0.170 4.487 4.660 -0.004 0.000 0.433 871 W C -0.084 176.399 176.519 -0.060 0.000 1.833 871 W CA 1.069 58.424 57.345 0.017 0.000 0.553 871 W CB -0.413 29.107 29.460 0.101 0.000 2.865 871 W HN 0.463 nan 8.180 nan 0.000 0.590 872 T N 4.569 119.245 114.554 0.203 0.000 3.038 872 T HA 0.290 4.638 4.350 -0.004 0.000 0.344 872 T C 0.344 175.173 174.700 0.215 0.000 1.054 872 T CA -0.968 61.233 62.100 0.169 0.000 1.092 872 T CB 1.205 70.054 68.868 -0.031 0.000 1.031 872 T HN 0.408 nan 8.240 nan 0.000 0.482 873 R N 2.367 123.099 120.500 0.387 0.000 3.421 873 R HA 0.398 4.735 4.340 -0.004 0.000 0.175 873 R C 1.088 177.490 176.300 0.169 0.000 0.770 873 R CA 1.843 58.129 56.100 0.311 0.000 1.308 873 R CB -0.515 29.976 30.300 0.318 0.000 0.628 873 R HN 0.943 nan 8.270 nan 0.000 0.478 874 G N 0.664 109.548 108.800 0.139 0.000 2.392 874 G HA2 -0.217 3.740 3.960 -0.004 0.000 0.290 874 G HA3 -0.217 3.740 3.960 -0.004 0.000 0.290 874 G C -0.480 174.457 174.900 0.061 0.000 1.032 874 G CA 0.422 45.578 45.100 0.093 0.000 1.269 874 G HN 0.557 nan 8.290 nan 0.000 0.511 875 T N -0.012 114.572 114.554 0.050 0.000 2.897 875 T HA 0.586 4.934 4.350 -0.004 0.000 0.294 875 T C 1.559 176.262 174.700 0.005 0.000 1.004 875 T CA 0.749 62.859 62.100 0.018 0.000 1.106 875 T CB 1.773 70.650 68.868 0.014 0.000 0.949 875 T HN 1.052 nan 8.240 nan 0.000 0.520 876 G N 1.179 109.972 108.800 -0.012 0.000 2.687 876 G HA2 0.410 4.368 3.960 -0.004 0.000 0.201 876 G HA3 0.410 4.368 3.960 -0.004 0.000 0.201 876 G C -0.201 174.681 174.900 -0.030 0.000 1.211 876 G CA -0.117 44.970 45.100 -0.022 0.000 0.637 876 G HN 0.657 nan 8.290 nan 0.000 0.900 877 L N -0.782 120.418 121.223 -0.038 0.000 3.996 877 L HA 0.554 4.891 4.340 -0.004 0.000 0.218 877 L C -0.522 176.309 176.870 -0.065 0.000 1.038 877 L CA 0.084 54.895 54.840 -0.048 0.000 1.412 877 L CB 0.629 42.665 42.059 -0.039 0.000 1.786 877 L HN 0.161 nan 8.230 nan 0.000 0.734 878 M N 0.910 120.453 119.600 -0.094 0.000 3.319 878 M HA 0.083 4.561 4.480 -0.004 0.000 0.283 878 M C -1.081 175.112 176.300 -0.178 0.000 0.567 878 M CA 0.806 56.021 55.300 -0.141 0.000 1.003 878 M CB -1.101 31.432 32.600 -0.112 0.000 3.579 878 M HN 0.327 nan 8.290 nan 0.000 0.345 879 S N 1.359 116.967 115.700 -0.153 0.000 2.420 879 S HA 0.842 5.309 4.470 -0.004 0.000 0.313 879 S C 0.537 174.958 174.600 -0.299 0.000 1.079 879 S CA -0.100 57.984 58.200 -0.192 0.000 1.104 879 S CB 1.027 64.180 63.200 -0.078 0.000 0.969 879 S HN 0.593 nan 8.310 nan 0.000 0.471 880 A N 3.653 126.142 122.820 -0.552 0.000 2.614 880 A HA 0.009 4.327 4.320 -0.004 0.000 0.231 880 A C 0.934 178.162 177.584 -0.594 0.000 1.076 880 A CA -0.136 51.455 52.037 -0.745 0.000 0.767 880 A CB -0.198 18.047 19.000 -1.258 0.000 1.012 880 A HN 0.872 nan 8.150 nan 0.000 0.512 881 N N 0.635 119.230 118.700 -0.174 0.000 2.942 881 N HA -0.213 4.524 4.740 -0.004 0.000 0.284 881 N C 0.060 175.839 175.510 0.449 0.000 1.019 881 N CA 1.225 54.411 53.050 0.228 0.000 0.879 881 N CB -0.932 37.838 38.487 0.471 0.000 0.917 881 N HN 0.699 nan 8.380 nan 0.000 0.606 882 N N 0.823 119.669 118.700 0.243 0.000 2.429 882 N HA 0.054 4.791 4.740 -0.004 0.000 0.298 882 N C 0.582 176.209 175.510 0.195 0.000 1.256 882 N CA 0.373 53.578 53.050 0.259 0.000 1.090 882 N CB -0.001 38.563 38.487 0.129 0.000 1.477 882 N HN 0.397 nan 8.380 nan 0.000 0.491 883 I N 0.557 121.258 120.570 0.219 0.000 2.386 883 I HA 0.009 4.176 4.170 -0.004 0.000 0.296 883 I C 1.315 177.476 176.117 0.073 0.000 0.816 883 I CA -0.443 60.930 61.300 0.121 0.000 2.448 883 I CB -0.453 37.613 38.000 0.110 0.000 1.797 883 I HN 0.104 nan 8.210 nan 0.000 0.443 884 I N 1.647 122.254 120.570 0.062 0.000 2.071 884 I HA -0.266 3.901 4.170 -0.004 0.000 0.214 884 I C 2.185 178.243 176.117 -0.099 0.000 1.020 884 I CA 1.994 63.276 61.300 -0.031 0.000 1.334 884 I CB -0.716 37.243 38.000 -0.068 0.000 1.073 884 I HN 0.657 nan 8.210 nan 0.000 0.388 885 A N 0.145 122.803 122.820 -0.270 0.000 1.619 885 A HA -0.415 3.903 4.320 -0.004 0.000 0.328 885 A C 1.771 179.220 177.584 -0.225 0.000 1.894 885 A CA 1.933 53.753 52.037 -0.362 0.000 1.077 885 A CB -2.068 16.833 19.000 -0.165 0.000 1.467 885 A HN 0.600 nan 8.150 nan 0.000 0.713 886 E N -0.192 119.938 120.200 -0.116 0.000 2.097 886 E HA -0.031 4.316 4.350 -0.004 0.000 0.196 886 E C 1.918 178.484 176.600 -0.057 0.000 1.000 886 E CA 1.073 57.431 56.400 -0.070 0.000 0.804 886 E CB -0.506 29.170 29.700 -0.039 0.000 0.740 886 E HN 1.077 nan 8.360 nan 0.000 0.454 887 G N 0.468 109.227 108.800 -0.068 0.000 2.601 887 G HA2 -0.176 3.782 3.960 -0.004 0.000 0.214 887 G HA3 -0.176 3.782 3.960 -0.004 0.000 0.214 887 G C 1.298 176.203 174.900 0.008 0.000 1.132 887 G CA 0.743 45.817 45.100 -0.044 0.000 0.761 887 G HN 0.229 nan 8.290 nan 0.000 0.550 888 I N -1.703 118.854 120.570 -0.022 0.000 4.607 888 I HA 0.136 4.304 4.170 -0.004 0.000 0.324 888 I C 1.396 177.538 176.117 0.041 0.000 1.279 888 I CA -0.018 61.340 61.300 0.096 0.000 1.286 888 I CB 0.402 38.344 38.000 -0.097 0.000 1.265 888 I HN -0.016 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 0.026 4.373 4.350 -0.004 0.000 0.189 889 E C 0.967 177.557 176.600 -0.016 0.000 1.125 889 E CA 0.227 56.605 56.400 -0.037 0.000 1.005 889 E CB 0.331 29.994 29.700 -0.061 0.000 1.140 889 E HN 0.405 nan 8.360 nan 0.000 0.457 890 K N -0.346 120.065 120.400 0.017 0.000 2.494 890 K HA 0.145 4.462 4.320 -0.004 0.000 0.201 890 K C 0.995 177.601 176.600 0.010 0.000 1.338 890 K CA -0.186 56.111 56.287 0.017 0.000 0.935 890 K CB 0.246 32.769 32.500 0.038 0.000 1.514 890 K HN -0.009 nan 8.250 nan 0.000 0.490 891 M N 1.212 120.836 119.600 0.040 0.000 3.543 891 M HA 0.065 4.542 4.480 -0.004 0.000 0.181 891 M C 0.242 176.469 176.300 -0.121 0.000 1.448 891 M CA 0.919 56.165 55.300 -0.090 0.000 1.587 891 M CB -0.633 31.770 32.600 -0.328 0.000 1.380 891 M HN 0.483 nan 8.290 nan 0.000 0.447 892 G N -1.153 107.607 108.800 -0.066 0.000 2.205 892 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.180 892 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.180 892 G C 0.223 175.090 174.900 -0.054 0.000 1.004 892 G CA -0.377 44.684 45.100 -0.065 0.000 0.670 892 G HN 0.810 nan 8.290 nan 0.000 0.496 893 V N -0.089 119.802 119.914 -0.037 0.000 5.359 893 V HA -0.289 3.828 4.120 -0.004 0.000 0.278 893 V C 1.704 177.771 176.094 -0.045 0.000 0.622 893 V CA 1.902 64.178 62.300 -0.039 0.000 0.649 893 V CB -1.387 30.408 31.823 -0.047 0.000 0.408 893 V HN 0.600 nan 8.190 nan 0.000 0.918 894 R N 1.359 121.841 120.500 -0.030 0.000 3.425 894 R HA 0.206 4.543 4.340 -0.004 0.000 0.213 894 R C 1.250 177.563 176.300 0.021 0.000 1.890 894 R CA 0.918 57.006 56.100 -0.021 0.000 1.589 894 R CB -1.476 28.833 30.300 0.014 0.000 1.095 894 R HN 1.151 nan 8.270 nan 0.000 0.547 895 T N -3.945 110.605 114.554 -0.006 0.000 0.541 895 T HA -0.325 4.022 4.350 -0.004 0.000 0.774 895 T C 0.132 174.898 174.700 0.111 0.000 0.992 895 T CA 0.252 62.350 62.100 -0.003 0.000 4.077 895 T CB -0.718 68.136 68.868 -0.024 0.000 2.303 895 T HN 0.406 nan 8.240 nan 0.000 0.398 896 F N -0.256 119.696 119.950 0.003 0.000 2.122 896 F HA 0.081 4.606 4.527 -0.004 0.000 0.483 896 F C 1.123 176.928 175.800 0.008 0.000 1.256 896 F CA 1.600 59.622 58.000 0.037 0.000 1.544 896 F CB -1.177 37.888 39.000 0.107 0.000 2.639 896 F HN 1.682 nan 8.300 nan 0.000 0.704 897 S N 0.758 116.700 115.700 0.404 0.000 4.412 897 S HA 0.071 4.539 4.470 -0.004 0.000 0.067 897 S C -0.818 173.952 174.600 0.282 0.000 0.853 897 S CA 0.007 58.369 58.200 0.269 0.000 1.030 897 S CB -0.418 62.829 63.200 0.078 0.000 0.620 897 S HN 0.648 nan 8.310 nan 0.000 0.774 898 Q N 1.416 121.470 119.800 0.422 0.000 2.230 898 Q HA 0.529 4.867 4.340 -0.004 0.000 0.253 898 Q C 0.539 176.812 176.000 0.454 0.000 0.919 898 Q CA -0.363 55.629 55.803 0.316 0.000 0.908 898 Q CB 1.736 30.520 28.738 0.077 0.000 1.245 898 Q HN 0.265 nan 8.270 nan 0.000 0.437 899 K N 1.288 121.851 120.400 0.271 0.000 2.367 899 K HA 0.071 4.389 4.320 -0.004 0.000 0.198 899 K C 0.636 177.352 176.600 0.194 0.000 1.132 899 K CA 0.114 56.530 56.287 0.216 0.000 0.941 899 K CB 0.608 33.196 32.500 0.145 0.000 1.052 899 K HN 0.569 nan 8.250 nan 0.000 0.507 900 E N 1.948 122.249 120.200 0.168 0.000 2.495 900 E HA -0.151 4.197 4.350 -0.004 0.000 0.204 900 E C 1.349 178.089 176.600 0.234 0.000 1.163 900 E CA 0.180 56.676 56.400 0.160 0.000 0.922 900 E CB -0.070 29.693 29.700 0.105 0.000 0.918 900 E HN 0.393 nan 8.360 nan 0.000 0.537 901 M N -0.168 119.604 119.600 0.286 0.000 2.435 901 M HA -0.199 4.278 4.480 -0.004 0.000 0.262 901 M C 1.896 178.370 176.300 0.290 0.000 1.065 901 M CA 1.238 56.758 55.300 0.365 0.000 1.076 901 M CB -0.318 32.497 32.600 0.358 0.000 1.403 901 M HN 0.116 nan 8.290 nan 0.000 0.454 902 A N 0.970 123.919 122.820 0.215 0.000 1.940 902 A HA -0.288 4.029 4.320 -0.004 0.000 0.221 902 A C 1.904 179.606 177.584 0.196 0.000 1.190 902 A CA 2.088 54.217 52.037 0.155 0.000 0.647 902 A CB -1.562 17.508 19.000 0.117 0.000 0.821 902 A HN 0.737 nan 8.150 nan 0.000 0.457 903 F N 1.686 121.699 119.950 0.105 0.000 2.135 903 F HA -0.327 4.197 4.527 -0.004 0.000 0.300 903 F C 1.850 177.717 175.800 0.112 0.000 1.074 903 F CA 2.119 60.181 58.000 0.103 0.000 1.262 903 F CB -0.584 38.469 39.000 0.089 0.000 1.013 903 F HN 0.422 nan 8.300 nan 0.000 0.489 904 N N 0.618 119.416 118.700 0.163 0.000 2.009 904 N HA -0.212 4.525 4.740 -0.004 0.000 0.195 904 N C 1.788 177.290 175.510 -0.012 0.000 1.076 904 N CA 1.454 54.542 53.050 0.063 0.000 0.863 904 N CB -0.541 38.062 38.487 0.192 0.000 1.062 904 N HN 0.159 nan 8.380 nan 0.000 0.425 905 L N 1.197 122.453 121.223 0.056 0.000 2.011 905 L HA -0.220 4.117 4.340 -0.004 0.000 0.225 905 L C 2.630 179.512 176.870 0.019 0.000 1.084 905 L CA 1.406 56.278 54.840 0.054 0.000 0.791 905 L CB -1.789 40.316 42.059 0.077 0.000 0.898 905 L HN 0.355 nan 8.230 nan 0.000 0.440 906 L N 0.403 121.637 121.223 0.019 0.000 2.113 906 L HA -0.234 4.104 4.340 -0.004 0.000 0.221 906 L C 2.203 179.141 176.870 0.114 0.000 1.084 906 L CA 2.505 57.388 54.840 0.071 0.000 0.787 906 L CB -1.022 41.081 42.059 0.074 0.000 0.893 906 L HN 0.308 nan 8.230 nan 0.000 0.440 907 G N -1.747 106.989 108.800 -0.106 0.000 2.595 907 G HA2 -0.103 3.854 3.960 -0.004 0.000 0.213 907 G HA3 -0.103 3.854 3.960 -0.004 0.000 0.213 907 G C 1.287 176.171 174.900 -0.026 0.000 1.141 907 G CA 0.365 45.394 45.100 -0.118 0.000 0.806 907 G HN 0.381 nan 8.290 nan 0.000 0.530 908 L N 0.639 121.850 121.223 -0.019 0.000 2.651 908 L HA 0.169 4.506 4.340 -0.004 0.000 0.236 908 L C 1.366 178.255 176.870 0.032 0.000 1.173 908 L CA 0.881 55.730 54.840 0.014 0.000 0.843 908 L CB -0.165 41.915 42.059 0.035 0.000 0.964 908 L HN 0.171 nan 8.230 nan 0.000 0.454 909 L N -1.232 120.022 121.223 0.052 0.000 3.289 909 L HA 0.362 4.699 4.340 -0.004 0.000 0.291 909 L C 0.393 177.347 176.870 0.141 0.000 1.279 909 L CA -0.031 54.844 54.840 0.058 0.000 1.025 909 L CB -0.090 41.962 42.059 -0.012 0.000 1.413 909 L HN 0.138 nan 8.230 nan 0.000 0.593 910 T N 1.150 115.776 114.554 0.120 0.000 2.899 910 T HA 0.459 4.806 4.350 -0.004 0.000 0.284 910 T C -2.396 172.346 174.700 0.069 0.000 1.004 910 T CA -1.648 60.524 62.100 0.120 0.000 1.043 910 T CB 0.831 69.716 68.868 0.029 0.000 1.013 910 T HN 0.174 nan 8.240 nan 0.000 0.518 911 P HA 0.034 nan 4.420 nan 0.000 0.273 911 P C 0.402 177.714 177.300 0.020 0.000 1.248 911 P CA 0.378 63.498 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 -2.544 117.664 120.200 0.013 0.000 3.948 912 E HA -0.283 4.064 4.350 -0.004 0.000 0.200 912 E C 1.557 178.161 176.600 0.007 0.000 1.198 912 E CA 1.695 58.099 56.400 0.008 0.000 2.232 912 E CB -2.441 27.262 29.700 0.004 0.000 1.824 912 E HN 0.150 nan 8.360 nan 0.000 0.346 913 V N 1.286 121.206 119.914 0.009 0.000 2.277 913 V HA -0.357 3.761 4.120 -0.004 0.000 0.253 913 V C 2.248 178.346 176.094 0.005 0.000 1.067 913 V CA 2.475 64.779 62.300 0.007 0.000 1.047 913 V CB -0.872 30.959 31.823 0.014 0.000 0.649 913 V HN 0.345 nan 8.190 nan 0.000 0.447 914 V N -0.193 119.729 119.914 0.015 0.000 2.214 914 V HA -0.336 3.782 4.120 -0.004 0.000 0.244 914 V C 2.488 178.588 176.094 0.010 0.000 1.045 914 V CA 2.435 64.744 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 0.670 nan 8.190 nan 0.000 0.449 915 E N -0.030 120.179 120.200 0.014 0.000 2.200 915 E HA -0.315 4.033 4.350 -0.004 0.000 0.211 915 E C 1.828 178.431 176.600 0.006 0.000 1.048 915 E CA 2.316 58.725 56.400 0.015 0.000 0.851 915 E CB -0.526 29.182 29.700 0.013 0.000 0.747 915 E HN 0.421 nan 8.360 nan 0.000 0.462 916 L N 0.021 121.240 121.223 -0.006 0.000 1.973 916 L HA -0.128 4.209 4.340 -0.004 0.000 0.208 916 L C 2.379 179.215 176.870 -0.056 0.000 1.073 916 L CA 2.149 56.975 54.840 -0.023 0.000 0.746 916 L CB -1.240 40.806 42.059 -0.021 0.000 0.891 916 L HN 0.400 nan 8.230 nan 0.000 0.433 917 C N -0.337 118.922 119.300 -0.067 0.000 2.403 917 C HA -0.233 4.225 4.460 -0.004 0.000 0.277 917 C C 2.798 177.682 174.990 -0.178 0.000 1.248 917 C CA 1.242 60.176 59.018 -0.140 0.000 1.762 917 C CB -1.072 26.609 27.740 -0.098 0.000 2.014 917 C HN 0.706 nan 8.230 nan 0.000 0.486 918 Q N 0.334 120.102 119.800 -0.054 0.000 2.308 918 Q HA -0.213 4.124 4.340 -0.004 0.000 0.209 918 Q C 2.036 178.067 176.000 0.052 0.000 0.985 918 Q CA 1.527 57.350 55.803 0.033 0.000 0.881 918 Q CB 0.019 28.790 28.738 0.055 0.000 0.917 918 Q HN 0.656 nan 8.270 nan 0.000 0.443 919 K N -0.831 119.557 120.400 -0.019 0.000 2.166 919 K HA 0.054 4.372 4.320 -0.004 0.000 0.201 919 K C 0.390 176.968 176.600 -0.038 0.000 1.052 919 K CA 0.862 57.160 56.287 0.017 0.000 0.969 919 K CB 0.626 33.126 32.500 0.001 0.000 0.761 919 K HN 0.198 nan 8.250 nan 0.000 0.459 920 S N -0.668 114.887 115.700 -0.243 0.000 2.627 920 S HA 0.285 4.753 4.470 -0.004 0.000 0.268 920 S C -3.058 171.207 174.600 -0.559 0.000 1.130 920 S CA -1.559 56.383 58.200 -0.430 0.000 0.819 920 S CB 1.613 64.749 63.200 -0.107 0.000 1.100 920 S HN -0.184 nan 8.310 nan 0.000 0.465 921 P HA 0.250 nan 4.420 nan 0.000 0.271 921 P C -0.803 176.387 177.300 -0.184 0.000 1.233 921 P CA -0.213 62.665 63.100 -0.371 0.000 0.795 921 P CB 0.262 31.881 31.700 -0.135 0.000 0.936 922 V N 1.197 121.087 119.914 -0.040 0.000 2.675 922 V HA 0.170 4.288 4.120 -0.004 0.000 0.266 922 V C 0.384 176.462 176.094 -0.026 0.000 0.974 922 V CA -0.246 62.019 62.300 -0.059 0.000 0.890 922 V CB 0.672 32.474 31.823 -0.035 0.000 1.055 922 V HN 0.469 nan 8.190 nan 0.000 0.477 923 M N 2.982 122.447 119.600 -0.225 0.000 2.248 923 M HA 0.588 5.066 4.480 -0.004 0.000 0.337 923 M C 0.429 176.703 176.300 -0.043 0.000 1.121 923 M CA 0.533 55.718 55.300 -0.192 0.000 1.155 923 M CB 0.922 33.319 32.600 -0.339 0.000 1.514 923 M HN 0.696 nan 8.290 nan 0.000 0.452 924 A N 2.483 125.318 122.820 0.025 0.000 3.208 924 A HA 0.179 4.497 4.320 -0.004 0.000 0.252 924 A C -0.551 177.071 177.584 0.062 0.000 1.225 924 A CA -0.968 51.093 52.037 0.038 0.000 0.980 924 A CB -0.019 19.007 19.000 0.043 0.000 1.414 924 A HN 0.881 nan 8.150 nan 0.000 0.721 925 D N 1.098 121.535 120.400 0.062 0.000 2.515 925 D HA 0.051 4.689 4.640 -0.004 0.000 0.232 925 D C -0.026 176.327 176.300 0.089 0.000 1.157 925 D CA 0.324 54.369 54.000 0.075 0.000 0.871 925 D CB 0.913 41.762 40.800 0.082 0.000 1.200 925 D HN 0.405 nan 8.370 nan 0.000 0.466 926 L N 1.314 122.588 121.223 0.086 0.000 3.288 926 L HA 0.190 4.528 4.340 -0.004 0.000 0.293 926 L C 0.204 177.124 176.870 0.083 0.000 1.294 926 L CA -0.696 54.206 54.840 0.104 0.000 1.006 926 L CB -0.388 41.718 42.059 0.077 0.000 1.407 926 L HN 0.345 nan 8.230 nan 0.000 0.592 927 N N 0.569 119.335 118.700 0.110 0.000 2.434 927 N HA 0.261 4.999 4.740 -0.004 0.000 0.272 927 N C 0.990 176.612 175.510 0.187 0.000 1.040 927 N CA -0.182 52.949 53.050 0.135 0.000 0.956 927 N CB 1.670 40.240 38.487 0.139 0.000 1.108 927 N HN 0.208 nan 8.380 nan 0.000 0.481 928 G N 2.406 111.357 108.800 0.252 0.000 2.990 928 G HA2 0.237 4.195 3.960 -0.004 0.000 0.256 928 G HA3 0.237 4.195 3.960 -0.004 0.000 0.256 928 G C 1.139 176.090 174.900 0.085 0.000 0.798 928 G CA -0.026 45.204 45.100 0.218 0.000 2.012 928 G HN 1.085 nan 8.290 nan 0.000 0.598 929 G N 0.345 109.179 108.800 0.056 0.000 2.230 929 G HA2 -0.428 3.530 3.960 -0.004 0.000 0.270 929 G HA3 -0.428 3.530 3.960 -0.004 0.000 0.270 929 G C 1.448 176.419 174.900 0.117 0.000 0.987 929 G CA 0.825 45.896 45.100 -0.048 0.000 0.664 929 G HN 0.627 nan 8.290 nan 0.000 0.539 930 L N 0.390 121.705 121.223 0.155 0.000 2.151 930 L HA -0.325 4.012 4.340 -0.004 0.000 0.219 930 L C 3.133 180.159 176.870 0.261 0.000 1.083 930 L CA 2.747 57.705 54.840 0.197 0.000 0.782 930 L CB -0.369 41.833 42.059 0.237 0.000 0.891 930 L HN 0.791 nan 8.230 nan 0.000 0.439 931 Q N -1.534 118.454 119.800 0.313 0.000 2.592 931 Q HA -0.228 4.109 4.340 -0.004 0.000 0.219 931 Q C 1.265 177.459 176.000 0.324 0.000 0.984 931 Q CA 1.387 57.370 55.803 0.301 0.000 0.911 931 Q CB -0.324 28.585 28.738 0.284 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 0.182 4.707 4.527 -0.004 0.000 0.288 932 F C 0.950 176.740 175.800 -0.016 0.000 1.121 932 F CA -0.827 57.178 58.000 0.008 0.000 1.384 932 F CB 0.130 39.130 39.000 0.001 0.000 1.115 932 F HN -0.182 nan 8.300 nan 0.000 0.599 933 V N 2.434 122.452 119.914 0.174 0.000 3.032 933 V HA 0.015 4.133 4.120 -0.004 0.000 0.307 933 V C -2.082 174.020 176.094 0.014 0.000 1.097 933 V CA -1.007 61.311 62.300 0.030 0.000 1.191 933 V CB -0.292 31.545 31.823 0.023 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 0.301 934 P C -0.323 176.986 177.300 0.015 0.000 1.338 934 P CA -0.547 62.540 63.100 -0.021 0.000 0.834 934 P CB 0.665 32.338 31.700 -0.045 0.000 0.967 935 E N 1.403 121.619 120.200 0.027 0.000 2.328 935 E HA -0.244 4.104 4.350 -0.004 0.000 0.233 935 E C 0.810 177.451 176.600 0.069 0.000 1.219 935 E CA 0.014 56.438 56.400 0.039 0.000 0.717 935 E CB -1.471 28.255 29.700 0.044 0.000 1.210 935 E HN 0.523 nan 8.360 nan 0.000 0.381 936 L N 0.187 121.450 121.223 0.066 0.000 2.149 936 L HA -0.358 3.979 4.340 -0.004 0.000 0.223 936 L C 2.601 179.468 176.870 -0.006 0.000 1.089 936 L CA 2.692 57.590 54.840 0.097 0.000 0.800 936 L CB -0.291 41.782 42.059 0.023 0.000 0.897 936 L HN 0.343 nan 8.230 nan 0.000 0.443 937 K N 0.072 120.402 120.400 -0.117 0.000 1.978 937 K HA -0.244 4.074 4.320 -0.004 0.000 0.221 937 K C 1.742 178.311 176.600 -0.051 0.000 1.036 937 K CA 1.936 58.119 56.287 -0.174 0.000 0.996 937 K CB -0.345 32.086 32.500 -0.115 0.000 0.755 937 K HN 0.303 nan 8.250 nan 0.000 0.445 938 E N -0.224 119.979 120.200 0.004 0.000 2.271 938 E HA -0.274 4.073 4.350 -0.004 0.000 0.209 938 E C 1.840 178.483 176.600 0.072 0.000 1.046 938 E CA 1.870 58.292 56.400 0.036 0.000 0.840 938 E CB -0.385 29.346 29.700 0.052 0.000 0.738 938 E HN 0.381 nan 8.360 nan 0.000 0.470 939 F N 1.600 121.535 119.950 -0.025 0.000 2.022 939 F HA -0.171 4.353 4.527 -0.004 0.000 0.293 939 F C 2.359 178.155 175.800 -0.006 0.000 1.142 939 F CA 2.008 60.000 58.000 -0.014 0.000 1.177 939 F CB -1.015 37.974 39.000 -0.017 0.000 0.982 939 F HN -0.168 nan 8.300 nan 0.000 0.473 940 T N 1.734 115.986 114.554 -0.503 0.000 2.685 940 T HA -0.268 4.079 4.350 -0.004 0.000 0.268 940 T C 2.134 176.670 174.700 -0.273 0.000 1.034 940 T CA 1.814 63.616 62.100 -0.497 0.000 1.149 940 T CB -1.203 67.563 68.868 -0.169 0.000 0.860 940 T HN 0.466 nan 8.240 nan 0.000 0.449 941 A N 2.058 124.793 122.820 -0.143 0.000 1.862 941 A HA -0.267 4.050 4.320 -0.004 0.000 0.214 941 A C 2.102 179.641 177.584 -0.075 0.000 1.228 941 A CA 2.516 54.516 52.037 -0.060 0.000 0.665 941 A CB -1.087 17.902 19.000 -0.019 0.000 0.845 941 A HN 0.519 nan 8.150 nan 0.000 0.459 942 K N -0.570 119.795 120.400 -0.057 0.000 2.056 942 K HA -0.289 4.028 4.320 -0.004 0.000 0.225 942 K C 1.926 178.485 176.600 -0.069 0.000 1.053 942 K CA 2.378 58.644 56.287 -0.035 0.000 0.966 942 K CB -0.722 31.783 32.500 0.010 0.000 0.735 942 K HN 0.480 nan 8.250 nan 0.000 0.455 943 L N -0.115 121.011 121.223 -0.162 0.000 2.064 943 L HA -0.368 3.970 4.340 -0.004 0.000 0.234 943 L C 2.970 179.793 176.870 -0.079 0.000 1.103 943 L CA 2.313 57.055 54.840 -0.163 0.000 0.824 943 L CB -0.695 41.176 42.059 -0.314 0.000 0.919 943 L HN 0.401 nan 8.230 nan 0.000 0.447 944 R N -0.334 120.128 120.500 -0.062 0.000 2.061 944 R HA -0.143 4.194 4.340 -0.004 0.000 0.230 944 R C 2.430 178.726 176.300 -0.007 0.000 1.140 944 R CA 1.085 57.176 56.100 -0.016 0.000 0.940 944 R CB -0.156 30.150 30.300 0.010 0.000 0.839 944 R HN 0.121 nan 8.270 nan 0.000 0.429 945 K N 1.035 121.430 120.400 -0.007 0.000 2.228 945 K HA -0.231 4.087 4.320 -0.004 0.000 0.205 945 K C 1.708 178.310 176.600 0.003 0.000 1.045 945 K CA 1.622 57.910 56.287 0.002 0.000 0.931 945 K CB -0.098 32.404 32.500 0.004 0.000 0.727 945 K HN 0.386 nan 8.250 nan 0.000 0.458 946 E N -0.513 119.686 120.200 -0.003 0.000 2.045 946 E HA -0.105 4.243 4.350 -0.004 0.000 0.190 946 E C 1.942 178.543 176.600 0.003 0.000 0.968 946 E CA 0.260 56.661 56.400 0.003 0.000 0.813 946 E CB -0.154 29.548 29.700 0.003 0.000 0.780 946 E HN 0.066 nan 8.360 nan 0.000 0.455 947 L N 1.066 122.288 121.223 -0.003 0.000 2.263 947 L HA -0.148 4.190 4.340 -0.004 0.000 0.216 947 L C 1.986 178.860 176.870 0.006 0.000 1.111 947 L CA 1.090 55.930 54.840 0.001 0.000 0.773 947 L CB -0.272 41.784 42.059 -0.004 0.000 0.906 947 L HN 0.082 nan 8.230 nan 0.000 0.439 948 V N -0.557 119.361 119.914 0.007 0.000 2.221 948 V HA -0.304 3.814 4.120 -0.004 0.000 0.240 948 V C 2.426 178.527 176.094 0.011 0.000 1.041 948 V CA 1.915 64.222 62.300 0.011 0.000 0.991 948 V CB -0.583 31.248 31.823 0.013 0.000 0.634 948 V HN 0.521 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 4.056 4.350 -0.004 0.000 0.202 949 E C 2.156 178.762 176.600 0.010 0.000 1.019 949 E CA 2.115 58.522 56.400 0.011 0.000 0.819 949 E CB -0.216 29.491 29.700 0.011 0.000 0.739 949 E HN 0.650 nan 8.360 nan 0.000 0.458 950 T N -0.399 114.160 114.554 0.009 0.000 2.653 950 T HA -0.233 4.115 4.350 -0.004 0.000 0.268 950 T C 1.944 176.650 174.700 0.009 0.000 1.035 950 T CA 1.602 63.707 62.100 0.009 0.000 1.154 950 T CB -0.388 68.484 68.868 0.008 0.000 0.862 950 T HN 0.151 nan 8.240 nan 0.000 0.441 951 S N 0.309 116.014 115.700 0.009 0.000 2.371 951 S HA -0.089 4.378 4.470 -0.004 0.000 0.224 951 S C 2.054 176.659 174.600 0.009 0.000 1.029 951 S CA 1.395 59.600 58.200 0.009 0.000 0.978 951 S CB -0.278 62.928 63.200 0.010 0.000 0.833 951 S HN 0.470 nan 8.310 nan 0.000 0.466 952 E N 0.308 120.514 120.200 0.010 0.000 2.333 952 E HA -0.045 4.303 4.350 -0.004 0.000 0.198 952 E C 1.583 178.189 176.600 0.010 0.000 1.007 952 E CA 0.896 57.302 56.400 0.010 0.000 0.845 952 E CB -0.063 29.643 29.700 0.011 0.000 0.766 952 E HN 0.412 nan 8.360 nan 0.000 0.507 953 V N 0.300 120.220 119.914 0.009 0.000 2.341 953 V HA -0.105 4.013 4.120 -0.004 0.000 0.240 953 V C 2.262 178.361 176.094 0.009 0.000 1.035 953 V CA 1.234 63.539 62.300 0.009 0.000 1.033 953 V CB -0.394 31.434 31.823 0.009 0.000 0.678 953 V HN 0.185 nan 8.190 nan 0.000 0.464 954 R N 0.974 121.479 120.500 0.008 0.000 2.115 954 R HA -0.249 4.089 4.340 -0.004 0.000 0.239 954 R C 2.233 178.537 176.300 0.006 0.000 1.133 954 R CA 2.024 58.128 56.100 0.007 0.000 0.935 954 R CB -1.010 29.293 30.300 0.006 0.000 0.853 954 R HN 0.471 nan 8.270 nan 0.000 0.433 955 K N 0.523 120.927 120.400 0.006 0.000 2.113 955 K HA -0.156 4.161 4.320 -0.004 0.000 0.208 955 K C 2.035 178.639 176.600 0.007 0.000 1.047 955 K CA 1.578 57.868 56.287 0.006 0.000 0.928 955 K CB -0.094 32.410 32.500 0.007 0.000 0.716 955 K HN 0.203 nan 8.250 nan 0.000 0.446 956 A N 0.697 123.522 122.820 0.008 0.000 1.835 956 A HA -0.122 4.195 4.320 -0.004 0.000 0.215 956 A C 2.206 179.796 177.584 0.009 0.000 1.199 956 A CA 1.785 53.827 52.037 0.008 0.000 0.615 956 A CB -0.950 18.056 19.000 0.009 0.000 0.838 956 A HN 0.137 nan 8.150 nan 0.000 0.444 957 V N 0.203 120.123 119.914 0.009 0.000 2.220 957 V HA -0.359 3.758 4.120 -0.004 0.000 0.250 957 V C 2.635 178.735 176.094 0.009 0.000 1.053 957 V CA 2.796 65.102 62.300 0.010 0.000 1.019 957 V CB -1.486 30.343 31.823 0.010 0.000 0.646 957 V HN 0.823 nan 8.190 nan 0.000 0.455 958 S N -0.229 115.475 115.700 0.006 0.000 2.426 958 S HA -0.391 4.077 4.470 -0.004 0.000 0.332 958 S C 1.709 176.311 174.600 0.003 0.000 1.213 958 S CA 2.996 61.197 58.200 0.002 0.000 1.436 958 S CB -0.771 62.429 63.200 -0.000 0.000 1.351 958 S HN 0.445 nan 8.310 nan 0.000 0.474 959 I N 1.473 122.046 120.570 0.005 0.000 2.058 959 I HA -0.165 4.002 4.170 -0.004 0.000 0.235 959 I C 2.893 179.018 176.117 0.013 0.000 1.053 959 I CA 2.013 63.317 61.300 0.007 0.000 1.313 959 I CB -0.697 37.308 38.000 0.007 0.000 1.039 959 I HN 0.438 nan 8.210 nan 0.000 0.396 960 E N 0.573 120.782 120.200 0.015 0.000 2.114 960 E HA -0.215 4.132 4.350 -0.004 0.000 0.199 960 E C 2.084 178.700 176.600 0.026 0.000 1.008 960 E CA 2.048 58.459 56.400 0.019 0.000 0.810 960 E CB -0.395 29.315 29.700 0.016 0.000 0.739 960 E HN 0.546 nan 8.360 nan 0.000 0.456 961 T N 1.141 115.710 114.554 0.025 0.000 2.542 961 T HA -0.124 4.224 4.350 -0.004 0.000 0.257 961 T C 1.860 176.593 174.700 0.054 0.000 1.111 961 T CA 1.743 63.864 62.100 0.035 0.000 1.203 961 T CB -0.468 68.416 68.868 0.027 0.000 0.866 961 T HN 0.301 nan 8.240 nan 0.000 0.399 962 A N 0.453 123.295 122.820 0.036 0.000 2.272 962 A HA 0.055 4.372 4.320 -0.004 0.000 0.213 962 A C 2.070 179.695 177.584 0.067 0.000 1.183 962 A CA 0.718 52.775 52.037 0.033 0.000 0.719 962 A CB -0.787 18.186 19.000 -0.047 0.000 0.771 962 A HN 0.382 nan 8.150 nan 0.000 0.484 963 L N -0.441 120.817 121.223 0.059 0.000 2.084 963 L HA -0.002 4.336 4.340 -0.004 0.000 0.202 963 L C 2.181 179.092 176.870 0.070 0.000 1.074 963 L CA 1.960 56.831 54.840 0.053 0.000 0.757 963 L CB -0.454 41.625 42.059 0.033 0.000 0.918 963 L HN 0.482 nan 8.230 nan 0.000 0.444 964 E N -1.345 118.894 120.200 0.065 0.000 2.209 964 E HA -0.284 4.064 4.350 -0.004 0.000 0.196 964 E C 1.919 178.555 176.600 0.060 0.000 0.993 964 E CA 1.034 57.463 56.400 0.049 0.000 0.819 964 E CB -0.316 29.406 29.700 0.037 0.000 0.745 964 E HN 0.548 nan 8.360 nan 0.000 0.477 965 H N 1.798 120.871 119.070 0.004 0.000 2.299 965 H HA -0.008 4.546 4.556 -0.004 0.000 0.302 965 H C 1.663 176.994 175.328 0.004 0.000 1.078 965 H CA 1.406 57.456 56.048 0.004 0.000 1.323 965 H CB 0.240 30.005 29.762 0.004 0.000 1.381 965 H HN 0.001 nan 8.280 nan 0.000 0.498 966 K N 0.224 120.766 120.400 0.236 0.000 2.442 966 K HA -0.047 4.270 4.320 -0.004 0.000 0.198 966 K C 2.158 178.798 176.600 0.066 0.000 1.044 966 K CA 0.677 57.054 56.287 0.150 0.000 0.948 966 K CB 0.397 32.953 32.500 0.095 0.000 0.762 966 K HN 0.100 nan 8.250 nan 0.000 0.472 967 V N 0.306 120.246 119.914 0.042 0.000 2.278 967 V HA -0.193 3.925 4.120 -0.004 0.000 0.238 967 V C 2.206 178.293 176.094 -0.011 0.000 1.039 967 V CA 1.102 63.411 62.300 0.014 0.000 1.017 967 V CB -0.359 31.471 31.823 0.011 0.000 0.657 967 V HN -0.008 nan 8.190 nan 0.000 0.462 968 V N 0.698 120.588 119.914 -0.039 0.000 2.220 968 V HA -0.297 3.821 4.120 -0.004 0.000 0.250 968 V C 1.553 177.606 176.094 -0.069 0.000 1.053 968 V CA 2.017 64.276 62.300 -0.069 0.000 1.019 968 V CB -0.852 30.895 31.823 -0.126 0.000 0.646 968 V HN 0.597 nan 8.190 nan 0.000 0.455 969 N N 0.248 118.886 118.700 -0.103 0.000 2.260 969 N HA 0.093 4.831 4.740 -0.004 0.000 0.270 969 N C 0.749 176.252 175.510 -0.012 0.000 1.281 969 N CA 1.051 54.064 53.050 -0.062 0.000 0.918 969 N CB -0.090 38.355 38.487 -0.070 0.000 1.028 969 N HN 0.464 nan 8.380 nan 0.000 0.482 970 G N -0.684 108.121 108.800 0.009 0.000 4.238 970 G HA2 0.160 4.117 3.960 -0.004 0.000 0.292 970 G HA3 0.160 4.117 3.960 -0.004 0.000 0.292 970 G C -0.615 174.302 174.900 0.029 0.000 1.036 970 G CA -0.184 44.926 45.100 0.016 0.000 0.812 970 G HN 0.570 nan 8.290 nan 0.000 0.489 971 N N -0.844 117.885 118.700 0.049 0.000 4.261 971 N HA 0.088 4.825 4.740 -0.004 0.000 0.330 971 N C -0.475 175.067 175.510 0.053 0.000 2.191 971 N CA 0.908 53.990 53.050 0.053 0.000 2.840 971 N CB -1.172 37.335 38.487 0.034 0.000 0.342 971 N HN 1.186 nan 8.380 nan 0.000 0.641 972 S N -0.370 115.363 115.700 0.056 0.000 2.365 972 S HA 0.752 5.220 4.470 -0.004 0.000 0.319 972 S C -0.493 174.125 174.600 0.030 0.000 0.851 972 S CA 0.685 58.912 58.200 0.045 0.000 0.875 972 S CB 0.132 63.367 63.200 0.058 0.000 1.190 972 S HN 1.931 nan 8.310 nan 0.000 0.448 973 A N 0.918 123.746 122.820 0.013 0.000 2.485 973 A HA 0.984 5.302 4.320 -0.004 0.000 0.299 973 A C 0.055 177.637 177.584 -0.003 0.000 0.947 973 A CA 1.320 53.356 52.037 -0.002 0.000 0.595 973 A CB -0.964 18.021 19.000 -0.024 0.000 1.397 973 A HN 2.976 nan 8.150 nan 0.000 0.462 974 D N -1.768 118.628 120.400 -0.007 0.000 10.484 974 D HA 0.492 5.129 4.640 -0.004 0.000 0.318 974 D C 0.477 176.777 176.300 -0.001 0.000 3.002 974 D CA 1.283 55.279 54.000 -0.005 0.000 2.679 974 D CB -1.379 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 0.867 123.687 122.820 -0.000 0.000 2.420 975 A HA 1.097 5.414 4.320 -0.004 0.000 0.291 975 A C 1.252 178.837 177.584 0.002 0.000 1.228 975 A CA 0.724 52.762 52.037 0.003 0.000 0.933 975 A CB 0.658 19.660 19.000 0.004 0.000 1.428 975 A HN 2.488 nan 8.150 nan 0.000 0.493 976 A N -2.978 119.845 122.820 0.004 0.000 2.287 976 A HA 0.560 4.877 4.320 -0.004 0.000 0.273 976 A C 0.432 178.017 177.584 0.002 0.000 1.091 976 A CA 0.523 52.562 52.037 0.003 0.000 0.817 976 A CB -0.263 18.740 19.000 0.006 0.000 1.069 976 A HN 2.094 nan 8.150 nan 0.000 0.492 977 Y N -1.556 118.744 120.300 -0.001 0.000 2.585 977 Y HA 0.565 5.112 4.550 -0.004 0.000 0.272 977 Y C 1.317 177.216 175.900 -0.001 0.000 1.119 977 Y CA 0.704 58.803 58.100 -0.002 0.000 1.255 977 Y CB -1.236 37.219 38.460 -0.007 0.000 1.284 977 Y HN 2.576 nan 8.280 nan 0.000 0.499 985 R N -0.251 120.251 120.500 0.003 0.000 3.136 985 R HA 0.649 4.987 4.340 -0.004 0.000 0.288 985 R C 0.839 177.156 176.300 0.029 0.000 0.985 985 R CA 1.929 58.042 56.100 0.022 0.000 1.183 985 R CB -0.761 29.556 30.300 0.028 0.000 1.167 985 R HN 2.561 nan 8.270 nan 0.000 0.509 986 A N -2.260 120.589 122.820 0.048 0.000 2.608 986 A HA 0.615 4.933 4.320 -0.004 0.000 0.292 986 A C 0.809 178.440 177.584 0.080 0.000 1.066 986 A CA 0.438 52.510 52.037 0.059 0.000 0.676 986 A CB -0.069 18.968 19.000 0.062 0.000 1.277 986 A HN 1.938 nan 8.150 nan 0.000 0.413 987 N N -0.017 118.735 118.700 0.087 0.000 1.998 987 N HA 0.414 5.151 4.740 -0.004 0.000 0.183 987 N C 2.013 177.613 175.510 0.151 0.000 1.109 987 N CA 3.617 56.733 53.050 0.110 0.000 0.927 987 N CB -1.137 37.400 38.487 0.082 0.000 1.036 987 N HN 2.706 nan 8.380 nan 0.000 0.460 988 I N -2.689 118.017 120.570 0.226 0.000 5.825 988 I HA 0.283 4.450 4.170 -0.004 0.000 0.126 988 I C 0.698 176.936 176.117 0.200 0.000 1.817 988 I CA 1.954 63.409 61.300 0.259 0.000 2.037 988 I CB -3.040 35.051 38.000 0.151 0.000 3.397 988 I HN 1.861 nan 8.210 nan 0.000 0.169 989 Q N 0.668 120.665 119.800 0.328 0.000 2.371 989 Q HA 0.618 4.956 4.340 -0.004 0.000 0.254 989 Q C 0.861 176.889 176.000 0.047 0.000 1.264 989 Q CA 0.885 56.837 55.803 0.248 0.000 0.904 989 Q CB -0.108 28.849 28.738 0.366 0.000 1.507 989 Q HN 1.643 nan 8.270 nan 0.000 0.495 990 L N 1.796 122.928 121.223 -0.152 0.000 2.592 990 L HA 0.108 4.445 4.340 -0.004 0.000 0.227 990 L C 0.443 177.047 176.870 -0.443 0.000 1.127 990 L CA 0.380 54.915 54.840 -0.508 0.000 0.884 990 L CB -0.096 41.651 42.059 -0.520 0.000 1.065 990 L HN 1.034 nan 8.230 nan 0.000 0.457 991 D N 0.235 120.515 120.400 -0.201 0.000 9.364 991 D HA -0.309 4.328 4.640 -0.004 0.000 0.298 991 D C -0.621 175.685 176.300 0.010 0.000 2.555 991 D CA 0.450 54.408 54.000 -0.071 0.000 2.291 991 D CB -0.493 40.134 40.800 -0.290 0.000 1.031 991 D HN -0.147 nan 8.370 nan 0.000 0.758 992 F N 2.921 122.861 119.950 -0.016 0.000 2.471 992 F HA 0.375 4.899 4.527 -0.004 0.000 0.353 992 F C -1.082 174.808 175.800 0.150 0.000 1.113 992 F CA -0.863 57.171 58.000 0.056 0.000 1.262 992 F CB -0.050 39.011 39.000 0.102 0.000 1.146 992 F HN 0.352 nan 8.300 nan 0.000 0.578 993 P HA -0.193 nan 4.420 nan 0.000 0.031 993 P C -0.629 176.761 177.300 0.151 0.000 0.900 993 P CA 0.469 63.620 63.100 0.085 0.000 1.031 993 P CB -0.279 31.363 31.700 -0.096 0.000 1.884 994 E N 3.490 123.793 120.200 0.171 0.000 2.445 994 E HA 0.273 4.620 4.350 -0.004 0.000 0.189 994 E C 0.670 177.343 176.600 0.122 0.000 1.069 994 E CA -0.328 56.199 56.400 0.211 0.000 0.871 994 E CB -0.117 29.686 29.700 0.171 0.000 0.991 994 E HN 0.450 nan 8.360 nan 0.000 0.481 995 L N 1.334 122.582 121.223 0.040 0.000 3.089 995 L HA -0.215 4.123 4.340 -0.004 0.000 0.511 995 L C -0.450 176.431 176.870 0.019 0.000 1.002 995 L CA 0.484 55.330 54.840 0.011 0.000 1.246 995 L CB -0.187 41.892 42.059 0.035 0.000 1.087 995 L HN 0.229 nan 8.230 nan 0.000 0.591 996 K N 5.314 125.692 120.400 -0.037 0.000 2.273 996 K HA 0.378 4.696 4.320 -0.004 0.000 0.287 996 K C -1.642 174.916 176.600 -0.069 0.000 1.089 996 K CA -1.370 54.885 56.287 -0.053 0.000 0.909 996 K CB 0.640 33.059 32.500 -0.134 0.000 1.123 996 K HN 0.325 nan 8.250 nan 0.000 0.473 997 P HA -0.004 nan 4.420 nan 0.000 0.272 997 P C -0.617 176.676 177.300 -0.011 0.000 1.254 997 P CA -0.220 62.894 63.100 0.024 0.000 0.795 997 P CB 0.477 32.212 31.700 0.059 0.000 1.022 998 Y N 0.373 120.694 120.300 0.035 0.000 2.320 998 Y HA 0.167 4.714 4.550 -0.004 0.000 0.334 998 Y C 1.241 177.104 175.900 -0.062 0.000 1.055 998 Y CA -0.484 57.638 58.100 0.038 0.000 1.143 998 Y CB 0.821 39.303 38.460 0.036 0.000 1.193 998 Y HN 0.431 nan 8.280 nan 0.000 0.477 999 K N 3.689 124.185 120.400 0.160 0.000 2.544 999 K HA -0.331 3.987 4.320 -0.004 0.000 0.260 999 K C 0.375 176.918 176.600 -0.094 0.000 1.038 999 K CA 1.392 57.554 56.287 -0.208 0.000 1.064 999 K CB 0.115 32.578 32.500 -0.062 0.000 0.760 999 K HN 0.978 nan 8.250 nan 0.000 0.460 1000 Q N -1.475 118.222 119.800 -0.172 0.000 2.108 1000 Q HA -0.316 4.021 4.340 -0.004 0.000 0.173 1000 Q C 1.472 177.438 176.000 -0.056 0.000 2.879 1000 Q CA 2.243 57.991 55.803 -0.090 0.000 0.364 1000 Q CB -1.853 26.854 28.738 -0.052 0.000 0.359 1000 Q HN 0.597 nan 8.270 nan 0.000 0.457 1001 V N 1.305 121.204 119.914 -0.026 0.000 2.828 1001 V HA -0.246 3.871 4.120 -0.004 0.000 0.260 1001 V C 2.143 178.231 176.094 -0.010 0.000 1.101 1001 V CA 2.308 64.608 62.300 0.000 0.000 1.123 1001 V CB -0.521 31.324 31.823 0.037 0.000 0.704 1001 V HN 0.278 nan 8.190 nan 0.000 0.493 1002 K N -0.328 120.035 120.400 -0.061 0.000 2.067 1002 K HA -0.040 4.278 4.320 -0.004 0.000 0.203 1002 K C 2.064 178.644 176.600 -0.033 0.000 1.048 1002 K CA 0.769 57.020 56.287 -0.060 0.000 0.954 1002 K CB -0.172 32.199 32.500 -0.214 0.000 0.737 1002 K HN 0.467 nan 8.250 nan 0.000 0.444 1003 Q N 0.866 120.627 119.800 -0.066 0.000 2.515 1003 Q HA -0.099 4.239 4.340 -0.004 0.000 0.215 1003 Q C 1.801 177.778 176.000 -0.037 0.000 0.983 1003 Q CA 0.663 56.437 55.803 -0.048 0.000 0.905 1003 Q CB -0.234 28.471 28.738 -0.056 0.000 0.961 1003 Q HN 0.393 nan 8.270 nan 0.000 0.503 1004 I N 0.418 120.972 120.570 -0.028 0.000 2.138 1004 I HA -0.250 3.918 4.170 -0.004 0.000 0.225 1004 I C 2.392 178.486 176.117 -0.037 0.000 1.057 1004 I CA 0.756 62.044 61.300 -0.021 0.000 1.343 1004 I CB -0.836 37.161 38.000 -0.004 0.000 1.118 1004 I HN 0.120 nan 8.210 nan 0.000 0.395 1005 A N 1.786 124.591 122.820 -0.025 0.000 1.870 1005 A HA -0.170 4.147 4.320 -0.004 0.000 0.219 1005 A C -1.187 176.263 177.584 -0.223 0.000 1.286 1005 A CA 1.721 53.714 52.037 -0.074 0.000 0.682 1005 A CB -2.781 16.235 19.000 0.027 0.000 0.844 1005 A HN 0.378 nan 8.150 nan 0.000 0.460 1006 P HA 0.256 nan 4.420 nan 0.000 0.265 1006 P C -0.565 176.653 177.300 -0.137 0.000 1.193 1006 P CA 0.566 63.481 63.100 -0.308 0.000 0.765 1006 P CB 0.552 32.139 31.700 -0.188 0.000 0.823 1007 A N 3.463 126.225 122.820 -0.095 0.000 2.541 1007 A HA -0.008 4.309 4.320 -0.004 0.000 0.293 1007 A C 1.429 179.009 177.584 -0.007 0.000 1.307 1007 A CA -0.071 51.950 52.037 -0.026 0.000 0.978 1007 A CB -0.677 18.333 19.000 0.017 0.000 1.111 1007 A HN 0.554 nan 8.150 nan 0.000 0.535 1008 E N 2.035 122.225 120.200 -0.017 0.000 2.510 1008 E HA -0.118 4.229 4.350 -0.004 0.000 0.202 1008 E C 0.582 177.185 176.600 0.005 0.000 1.072 1008 E CA 0.502 56.896 56.400 -0.011 0.000 0.883 1008 E CB -0.067 29.622 29.700 -0.019 0.000 0.818 1008 E HN 0.750 nan 8.360 nan 0.000 0.548 1009 L N 0.832 122.067 121.223 0.021 0.000 2.786 1009 L HA -0.080 4.258 4.340 -0.004 0.000 0.250 1009 L C 1.826 178.728 176.870 0.053 0.000 1.151 1009 L CA 0.851 55.712 54.840 0.035 0.000 0.910 1009 L CB -0.250 41.840 42.059 0.051 0.000 1.082 1009 L HN -0.084 nan 8.230 nan 0.000 0.433 1010 E N -0.836 119.388 120.200 0.040 0.000 2.279 1010 E HA 0.225 4.573 4.350 -0.004 0.000 0.199 1010 E C 1.673 178.277 176.600 0.006 0.000 0.893 1010 E CA 0.788 57.213 56.400 0.041 0.000 0.978 1010 E CB -0.260 29.469 29.700 0.048 0.000 0.964 1010 E HN 0.214 nan 8.360 nan 0.000 0.486 1011 G N 2.376 111.171 108.800 -0.008 0.000 2.672 1011 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.324 1011 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.324 1011 G C 0.029 174.911 174.900 -0.030 0.000 1.286 1011 G CA 0.767 45.857 45.100 -0.018 0.000 1.004 1011 G HN 0.230 nan 8.290 nan 0.000 0.548 1012 L N 1.084 122.291 121.223 -0.027 0.000 2.344 1012 L HA 0.829 5.166 4.340 -0.004 0.000 0.272 1012 L C 0.846 177.700 176.870 -0.026 0.000 1.035 1012 L CA 0.487 55.305 54.840 -0.036 0.000 0.807 1012 L CB 1.552 43.592 42.059 -0.032 0.000 1.237 1012 L HN 1.435 nan 8.230 nan 0.000 0.442 1013 L N 0.190 121.395 121.223 -0.030 0.000 5.496 1013 L HA 0.183 4.521 4.340 -0.004 0.000 0.570 1013 L C -1.320 175.535 176.870 -0.025 0.000 0.655 1013 L CA 0.562 55.393 54.840 -0.016 0.000 2.355 1013 L CB -0.674 41.382 42.059 -0.004 0.000 1.736 1013 L HN 0.637 nan 8.230 nan 0.000 0.541 1014 D N 0.448 120.825 120.400 -0.039 0.000 2.662 1014 D HA 0.218 4.856 4.640 -0.004 0.000 0.132 1014 D C 0.690 176.962 176.300 -0.046 0.000 1.465 1014 D CA 0.297 54.270 54.000 -0.045 0.000 1.524 1014 D CB 0.366 41.142 40.800 -0.040 0.000 1.871 1014 D HN 0.119 nan 8.370 nan 0.000 0.213 1015 L N 0.695 121.883 121.223 -0.059 0.000 3.760 1015 L HA -0.351 3.987 4.340 -0.004 0.000 0.513 1015 L C 1.106 177.947 176.870 -0.050 0.000 1.173 1015 L CA 2.080 56.882 54.840 -0.065 0.000 0.822 1015 L CB -0.128 41.886 42.059 -0.077 0.000 0.237 1015 L HN 0.857 nan 8.230 nan 0.000 0.940 1016 E N -0.864 119.306 120.200 -0.051 0.000 4.153 1016 E HA -0.260 4.087 4.350 -0.004 0.000 0.376 1016 E C 0.535 177.117 176.600 -0.029 0.000 0.598 1016 E CA 1.713 58.090 56.400 -0.038 0.000 1.343 1016 E CB -0.281 29.398 29.700 -0.035 0.000 1.793 1016 E HN 0.645 nan 8.360 nan 0.000 0.392 1017 R N 0.309 120.792 120.500 -0.029 0.000 2.668 1017 R HA 0.305 4.642 4.340 -0.004 0.000 0.435 1017 R C -0.769 175.529 176.300 -0.004 0.000 1.059 1017 R CA 0.236 56.324 56.100 -0.020 0.000 1.073 1017 R CB 1.978 32.261 30.300 -0.028 0.000 1.401 1017 R HN -0.010 nan 8.270 nan 0.000 0.590 1018 V N 1.806 121.715 119.914 -0.008 0.000 2.540 1018 V HA 0.469 4.586 4.120 -0.004 0.000 0.302 1018 V C -0.772 175.321 176.094 -0.000 0.000 1.035 1018 V CA -0.836 61.475 62.300 0.019 0.000 0.873 1018 V CB 1.687 33.508 31.823 -0.004 0.000 0.992 1018 V HN 0.069 nan 8.190 nan 0.000 0.428 1019 I N 6.766 127.349 120.570 0.021 0.000 2.437 1019 I HA 0.640 4.808 4.170 -0.004 0.000 0.298 1019 I C -0.068 176.050 176.117 0.002 0.000 0.984 1019 I CA -0.323 60.982 61.300 0.008 0.000 1.214 1019 I CB 1.703 39.712 38.000 0.016 0.000 1.365 1019 I HN 0.367 nan 8.210 nan 0.000 0.469 1020 V N 5.338 125.246 119.914 -0.009 0.000 3.147 1020 V HA 0.362 4.479 4.120 -0.004 0.000 0.306 1020 V C -0.425 175.678 176.094 0.016 0.000 1.209 1020 V CA -0.831 61.461 62.300 -0.013 0.000 1.023 1020 V CB 2.868 34.658 31.823 -0.054 0.000 1.059 1020 V HN 0.364 nan 8.190 nan 0.000 0.435 1021 V N 2.525 122.457 119.914 0.030 0.000 2.405 1021 V HA 0.172 4.290 4.120 -0.004 0.000 0.264 1021 V C 1.179 177.398 176.094 0.207 0.000 1.048 1021 V CA 0.413 62.764 62.300 0.084 0.000 0.966 1021 V CB 0.657 32.481 31.823 0.003 0.000 1.015 1021 V HN 1.100 nan 8.190 nan 0.000 0.477 1022 T N 3.168 117.843 114.554 0.201 0.000 2.976 1022 T HA 0.239 4.586 4.350 -0.004 0.000 0.257 1022 T C 0.811 175.793 174.700 0.469 0.000 1.051 1022 T CA 1.015 63.245 62.100 0.217 0.000 1.141 1022 T CB 0.289 69.228 68.868 0.119 0.000 0.881 1022 T HN 0.829 nan 8.240 nan 0.000 0.461 1023 G N 0.841 109.900 108.800 0.432 0.000 2.692 1023 G HA2 0.578 4.536 3.960 -0.004 0.000 0.291 1023 G HA3 0.578 4.536 3.960 -0.004 0.000 0.291 1023 G C -1.904 173.249 174.900 0.420 0.000 1.423 1023 G CA -0.885 44.507 45.100 0.486 0.000 0.843 1023 G HN 0.223 nan 8.290 nan 0.000 0.486 1024 F N -1.552 118.391 119.950 -0.013 0.000 2.770 1024 F HA 0.937 5.461 4.527 -0.004 0.000 0.313 1024 F C -0.823 174.961 175.800 -0.027 0.000 1.154 1024 F CA -1.684 56.300 58.000 -0.027 0.000 0.923 1024 F CB 1.153 40.091 39.000 -0.103 0.000 1.301 1024 F HN 1.678 nan 8.300 nan 0.000 0.449 1025 A N 1.349 123.978 122.820 -0.317 0.000 2.581 1025 A HA 0.636 4.953 4.320 -0.004 0.000 0.294 1025 A C -1.864 175.658 177.584 -0.103 0.000 1.035 1025 A CA -0.343 51.470 52.037 -0.374 0.000 0.684 1025 A CB 1.371 20.264 19.000 -0.179 0.000 1.282 1025 A HN 1.300 nan 8.150 nan 0.000 0.417 1026 E N 0.477 120.629 120.200 -0.079 0.000 2.272 1026 E HA 0.656 5.003 4.350 -0.004 0.000 0.269 1026 E C -1.332 175.360 176.600 0.153 0.000 0.877 1026 E CA -1.064 55.404 56.400 0.114 0.000 0.755 1026 E CB 2.191 31.875 29.700 -0.027 0.000 1.192 1026 E HN 0.493 nan 8.360 nan 0.000 0.422 1027 V N 2.066 122.150 119.914 0.284 0.000 2.239 1027 V HA 0.631 4.748 4.120 -0.004 0.000 0.267 1027 V C 0.205 176.470 176.094 0.285 0.000 1.056 1027 V CA -0.115 62.316 62.300 0.217 0.000 0.830 1027 V CB 0.300 32.221 31.823 0.162 0.000 1.090 1027 V HN 0.809 nan 8.190 nan 0.000 0.459 1028 G N 3.242 112.271 108.800 0.383 0.000 2.798 1028 G HA2 0.660 4.617 3.960 -0.004 0.000 0.286 1028 G HA3 0.660 4.617 3.960 -0.004 0.000 0.286 1028 G C -1.900 173.426 174.900 0.711 0.000 1.389 1028 G CA -1.315 44.194 45.100 0.681 0.000 0.894 1028 G HN 0.283 nan 8.290 nan 0.000 0.488 1029 P HA -0.166 nan 4.420 nan 0.000 0.225 1029 P C -0.516 176.494 177.300 -0.482 0.000 1.155 1029 P CA 1.546 64.574 63.100 -0.120 0.000 0.863 1029 P CB 0.028 31.631 31.700 -0.161 0.000 0.774 1030 W N -0.941 120.428 121.300 0.115 0.000 2.761 1030 W HA 0.607 5.265 4.660 -0.004 0.000 0.340 1030 W C 0.500 177.121 176.519 0.169 0.000 1.072 1030 W CA -0.716 56.705 57.345 0.127 0.000 1.215 1030 W CB 0.375 29.896 29.460 0.102 0.000 1.420 1030 W HN -0.164 nan 8.180 nan 0.000 0.519 1031 G N 1.923 110.950 108.800 0.380 0.000 2.228 1031 G HA2 0.144 4.102 3.960 -0.004 0.000 0.242 1031 G HA3 0.144 4.102 3.960 -0.004 0.000 0.242 1031 G C 0.427 175.492 174.900 0.275 0.000 0.987 1031 G CA 0.089 45.380 45.100 0.318 0.000 0.893 1031 G HN 0.784 nan 8.290 nan 0.000 0.418 1032 S N 2.470 118.325 115.700 0.259 0.000 3.566 1032 S HA 0.167 4.634 4.470 -0.004 0.000 0.426 1032 S C 1.700 176.347 174.600 0.077 0.000 1.154 1032 S CA 0.793 59.088 58.200 0.157 0.000 0.946 1032 S CB -0.431 62.863 63.200 0.158 0.000 0.666 1032 S HN 2.467 nan 8.310 nan 0.000 0.494 1033 A N 5.206 128.005 122.820 -0.034 0.000 5.326 1033 A HA -0.433 3.885 4.320 -0.004 0.000 0.379 1033 A C 1.941 179.542 177.584 0.027 0.000 1.574 1033 A CA 2.832 54.800 52.037 -0.114 0.000 0.834 1033 A CB -1.852 16.940 19.000 -0.348 0.000 1.524 1033 A HN 1.233 nan 8.150 nan 0.000 0.448 1034 R N -2.475 118.038 120.500 0.020 0.000 2.589 1034 R HA -0.354 3.984 4.340 -0.004 0.000 0.146 1034 R C 2.056 178.465 176.300 0.182 0.000 0.641 1034 R CA 3.058 59.231 56.100 0.121 0.000 0.238 1034 R CB -2.052 28.328 30.300 0.134 0.000 0.605 1034 R HN 0.891 nan 8.270 nan 0.000 0.237 1035 T N 0.740 115.431 114.554 0.229 0.000 2.529 1035 T HA -0.235 4.112 4.350 -0.004 0.000 0.261 1035 T C 1.651 176.489 174.700 0.230 0.000 1.110 1035 T CA 2.358 64.671 62.100 0.356 0.000 1.192 1035 T CB -0.370 68.753 68.868 0.425 0.000 0.864 1035 T HN 0.458 nan 8.240 nan 0.000 0.407 1036 R N 1.308 121.915 120.500 0.178 0.000 2.119 1036 R HA -0.130 4.208 4.340 -0.004 0.000 0.246 1036 R C 2.245 178.444 176.300 -0.169 0.000 1.146 1036 R CA 1.716 57.763 56.100 -0.088 0.000 0.962 1036 R CB -1.726 28.514 30.300 -0.100 0.000 0.863 1036 R HN 0.717 nan 8.270 nan 0.000 0.442 1037 W N 2.042 123.198 121.300 -0.240 0.000 2.317 1037 W HA -0.220 4.438 4.660 -0.004 0.000 0.318 1037 W C 1.373 177.626 176.519 -0.444 0.000 1.227 1037 W CA 1.864 59.039 57.345 -0.283 0.000 1.269 1037 W CB -0.105 29.221 29.460 -0.223 0.000 1.155 1037 W HN 0.280 nan 8.180 nan 0.000 0.484 1038 E N -0.376 119.510 120.200 -0.523 0.000 2.187 1038 E HA -0.300 4.047 4.350 -0.004 0.000 0.199 1038 E C 2.123 178.096 176.600 -1.044 0.000 1.004 1038 E CA 1.716 57.558 56.400 -0.930 0.000 0.813 1038 E CB -0.286 29.106 29.700 -0.513 0.000 0.736 1038 E HN 0.311 nan 8.360 nan 0.000 0.468 1039 M N -0.414 118.693 119.600 -0.821 0.000 2.325 1039 M HA -0.067 4.411 4.480 -0.004 0.000 0.265 1039 M C 2.202 178.093 176.300 -0.682 0.000 1.094 1039 M CA 1.000 55.799 55.300 -0.834 0.000 1.161 1039 M CB -0.539 31.421 32.600 -1.066 0.000 1.358 1039 M HN 0.001 nan 8.290 nan 0.000 0.446 1040 E N 0.641 120.482 120.200 -0.598 0.000 2.204 1040 E HA -0.107 4.241 4.350 -0.004 0.000 0.195 1040 E C 1.662 177.956 176.600 -0.509 0.000 0.990 1040 E CA 1.569 57.722 56.400 -0.412 0.000 0.821 1040 E CB 0.141 29.752 29.700 -0.149 0.000 0.750 1040 E HN 0.371 nan 8.360 nan 0.000 0.477 1041 A N -0.420 121.861 122.820 -0.899 0.000 1.843 1041 A HA 0.213 4.531 4.320 -0.004 0.000 0.213 1041 A C 0.654 178.121 177.584 -0.195 0.000 1.239 1041 A CA 1.048 52.552 52.037 -0.889 0.000 0.606 1041 A CB -0.288 17.678 19.000 -1.723 0.000 0.903 1041 A HN 0.276 nan 8.150 nan 0.000 0.455 1042 F N -2.879 116.779 119.950 -0.488 0.000 3.064 1042 F HA 0.706 5.230 4.527 -0.004 0.000 0.322 1042 F C 1.698 177.302 175.800 -0.327 0.000 1.463 1042 F CA -0.902 56.908 58.000 -0.316 0.000 1.044 1042 F CB -0.306 38.543 39.000 -0.251 0.000 1.743 1042 F HN 0.136 nan 8.300 nan 0.000 0.423 1043 G N -1.018 107.756 108.800 -0.043 0.000 2.729 1043 G HA2 0.149 4.106 3.960 -0.004 0.000 0.211 1043 G HA3 0.149 4.106 3.960 -0.004 0.000 0.211 1043 G C 0.442 175.158 174.900 -0.308 0.000 1.182 1043 G CA -0.073 44.921 45.100 -0.177 0.000 0.851 1043 G HN 0.384 nan 8.290 nan 0.000 0.607 1044 E N -0.724 119.377 120.200 -0.166 0.000 2.766 1044 E HA 0.232 4.579 4.350 -0.004 0.000 0.261 1044 E C 0.535 176.902 176.600 -0.388 0.000 1.427 1044 E CA -0.051 56.251 56.400 -0.162 0.000 1.085 1044 E CB 0.427 30.143 29.700 0.027 0.000 1.074 1044 E HN 0.212 nan 8.360 nan 0.000 0.651 1045 F N -0.603 119.367 119.950 0.033 0.000 2.581 1045 F HA 0.007 4.531 4.527 -0.004 0.000 0.278 1045 F C 0.364 176.203 175.800 0.065 0.000 1.000 1045 F CA 0.622 58.643 58.000 0.035 0.000 1.230 1045 F CB 0.065 39.107 39.000 0.070 0.000 1.008 1045 F HN 0.455 nan 8.300 nan 0.000 0.695 1046 S N 1.394 117.253 115.700 0.264 0.000 3.285 1046 S HA -0.232 4.236 4.470 -0.004 0.000 0.852 1046 S C 0.571 175.282 174.600 0.185 0.000 1.066 1046 S CA -0.005 58.306 58.200 0.185 0.000 1.184 1046 S CB -1.816 61.478 63.200 0.156 0.000 0.953 1046 S HN 0.451 nan 8.310 nan 0.000 0.299 1047 L N 1.773 123.083 121.223 0.146 0.000 3.482 1047 L HA -0.458 3.879 4.340 -0.004 0.000 0.181 1047 L C 2.845 179.808 176.870 0.154 0.000 3.902 1047 L CA 2.235 57.153 54.840 0.130 0.000 1.098 1047 L CB -1.787 40.336 42.059 0.108 0.000 3.139 1047 L HN 1.055 nan 8.230 nan 0.000 0.556 1048 E N 0.776 121.068 120.200 0.155 0.000 2.245 1048 E HA -0.304 4.043 4.350 -0.004 0.000 0.217 1048 E C 1.851 178.574 176.600 0.205 0.000 1.069 1048 E CA 2.191 58.696 56.400 0.175 0.000 0.877 1048 E CB -1.062 28.739 29.700 0.167 0.000 0.757 1048 E HN 0.803 nan 8.360 nan 0.000 0.464 1049 G N 0.994 109.931 108.800 0.228 0.000 2.508 1049 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.212 1049 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.212 1049 G C 1.863 176.908 174.900 0.242 0.000 1.206 1049 G CA 0.948 46.219 45.100 0.286 0.000 0.822 1049 G HN 0.476 nan 8.290 nan 0.000 0.550 1050 C N 0.564 120.013 119.300 0.248 0.000 2.318 1050 C HA -0.202 4.255 4.460 -0.004 0.000 0.272 1050 C C 3.044 178.042 174.990 0.014 0.000 1.156 1050 C CA 1.931 60.986 59.018 0.062 0.000 1.783 1050 C CB -1.152 26.677 27.740 0.148 0.000 2.023 1050 C HN 0.286 nan 8.230 nan 0.000 0.437 1051 V N 1.025 120.997 119.914 0.096 0.000 2.250 1051 V HA -0.340 3.778 4.120 -0.004 0.000 0.253 1051 V C 2.556 178.765 176.094 0.191 0.000 1.065 1051 V CA 2.752 65.127 62.300 0.124 0.000 1.039 1051 V CB -1.183 30.717 31.823 0.127 0.000 0.647 1051 V HN 0.728 nan 8.190 nan 0.000 0.446 1052 E N -0.772 119.561 120.200 0.221 0.000 2.114 1052 E HA -0.283 4.065 4.350 -0.004 0.000 0.199 1052 E C 2.300 179.091 176.600 0.319 0.000 1.008 1052 E CA 1.861 58.468 56.400 0.346 0.000 0.810 1052 E CB -0.086 29.817 29.700 0.339 0.000 0.739 1052 E HN 0.427 nan 8.360 nan 0.000 0.456 1053 M N 0.269 119.933 119.600 0.107 0.000 2.084 1053 M HA -0.156 4.321 4.480 -0.004 0.000 0.259 1053 M C 2.518 178.897 176.300 0.132 0.000 1.072 1053 M CA 1.692 57.000 55.300 0.015 0.000 1.107 1053 M CB -1.489 30.922 32.600 -0.315 0.000 1.299 1053 M HN 0.205 nan 8.290 nan 0.000 0.413 1054 A N -1.333 121.560 122.820 0.121 0.000 2.194 1054 A HA -0.219 4.098 4.320 -0.004 0.000 0.220 1054 A C 1.965 179.743 177.584 0.323 0.000 1.162 1054 A CA 1.482 53.654 52.037 0.224 0.000 0.674 1054 A CB -1.151 17.899 19.000 0.083 0.000 0.789 1054 A HN 0.746 nan 8.150 nan 0.000 0.470 1055 W N 0.438 121.815 121.300 0.129 0.000 2.481 1055 W HA 0.159 4.817 4.660 -0.004 0.000 0.293 1055 W C 0.992 177.564 176.519 0.088 0.000 1.201 1055 W CA 0.604 58.018 57.345 0.115 0.000 1.328 1055 W CB -0.260 29.266 29.460 0.109 0.000 1.112 1055 W HN 0.194 nan 8.180 nan 0.000 0.546 1056 I N 0.967 121.435 120.570 -0.171 0.000 3.191 1056 I HA -0.112 4.056 4.170 -0.004 0.000 0.210 1056 I C 1.922 177.884 176.117 -0.259 0.000 1.343 1056 I CA 0.222 61.251 61.300 -0.451 0.000 0.679 1056 I CB -0.476 37.415 38.000 -0.182 0.000 1.798 1056 I HN -0.002 nan 8.210 nan 0.000 0.943 1057 M N -0.341 119.115 119.600 -0.240 0.000 2.806 1057 M HA -0.316 4.161 4.480 -0.004 0.000 0.148 1057 M C 1.232 177.242 176.300 -0.483 0.000 0.696 1057 M CA 1.492 56.619 55.300 -0.288 0.000 0.564 1057 M CB -1.928 30.577 32.600 -0.158 0.000 2.074 1057 M HN 1.059 nan 8.290 nan 0.000 0.263 1058 G N -1.241 107.324 108.800 -0.393 0.000 2.176 1058 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.253 1058 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.253 1058 G C 0.218 174.977 174.900 -0.234 0.000 0.979 1058 G CA 0.463 45.360 45.100 -0.338 0.000 0.641 1058 G HN 0.400 nan 8.290 nan 0.000 0.530 1059 F N 1.069 120.990 119.950 -0.049 0.000 1.980 1059 F HA 0.219 4.744 4.527 -0.004 0.000 0.298 1059 F C 2.103 177.919 175.800 0.026 0.000 1.255 1059 F CA 1.605 59.601 58.000 -0.007 0.000 1.179 1059 F CB -0.965 38.038 39.000 0.005 0.000 0.957 1059 F HN 0.380 nan 8.300 nan 0.000 0.507 1060 I N -1.123 119.642 120.570 0.324 0.000 2.764 1060 I HA 0.356 4.523 4.170 -0.004 0.000 0.294 1060 I C 0.582 176.862 176.117 0.272 0.000 1.045 1060 I CA -0.018 61.429 61.300 0.246 0.000 1.340 1060 I CB 1.203 39.341 38.000 0.230 0.000 1.436 1060 I HN 0.284 nan 8.210 nan 0.000 0.567 1061 S N 2.402 118.272 115.700 0.283 0.000 2.874 1061 S HA 0.179 4.646 4.470 -0.004 0.000 0.257 1061 S C 0.155 174.999 174.600 0.407 0.000 0.975 1061 S CA -0.079 58.329 58.200 0.347 0.000 1.326 1061 S CB -1.204 62.130 63.200 0.223 0.000 1.215 1061 S HN 1.314 nan 8.310 nan 0.000 0.679 1062 Y N 2.496 122.941 120.300 0.242 0.000 3.267 1062 Y HA -0.350 4.198 4.550 -0.004 0.000 0.387 1062 Y C 0.187 176.284 175.900 0.329 0.000 1.220 1062 Y CA 1.735 60.005 58.100 0.282 0.000 1.292 1062 Y CB -1.347 37.253 38.460 0.233 0.000 1.152 1062 Y HN 0.908 nan 8.280 nan 0.000 0.503 1063 H N 0.860 119.372 119.070 -0.929 0.000 2.944 1063 H HA -0.188 4.365 4.556 -0.004 0.000 0.313 1063 H C 0.743 175.950 175.328 -0.202 0.000 1.293 1063 H CA 0.595 56.185 56.048 -0.763 0.000 1.173 1063 H CB -1.211 28.290 29.762 -0.434 0.000 1.420 1063 H HN 0.773 nan 8.280 nan 0.000 0.432 1064 N N 1.634 120.380 118.700 0.075 0.000 2.617 1064 N HA 0.067 4.805 4.740 -0.004 0.000 0.198 1064 N C 0.739 176.250 175.510 0.001 0.000 1.317 1064 N CA 1.529 54.619 53.050 0.068 0.000 0.892 1064 N CB -0.007 38.608 38.487 0.214 0.000 1.041 1064 N HN 0.813 nan 8.380 nan 0.000 0.450 1065 G N 0.518 109.294 108.800 -0.040 0.000 2.612 1065 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.686 1065 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.686 1065 G C 0.064 175.057 174.900 0.154 0.000 1.274 1065 G CA -0.332 44.812 45.100 0.074 0.000 0.849 1065 G HN 0.260 nan 8.290 nan 0.000 0.595 1066 N N -0.811 117.926 118.700 0.062 0.000 2.289 1066 N HA -0.043 4.695 4.740 -0.004 0.000 0.184 1066 N C 1.242 176.746 175.510 -0.009 0.000 1.016 1066 N CA 1.807 54.804 53.050 -0.088 0.000 0.872 1066 N CB 0.021 38.447 38.487 -0.102 0.000 0.973 1066 N HN 0.615 nan 8.380 nan 0.000 0.433 1067 L N -1.196 120.074 121.223 0.078 0.000 2.770 1067 L HA 0.079 4.417 4.340 -0.004 0.000 0.242 1067 L C 0.074 176.979 176.870 0.059 0.000 0.939 1067 L CA -0.107 54.806 54.840 0.121 0.000 1.240 1067 L CB 0.007 42.118 42.059 0.088 0.000 1.604 1067 L HN -0.148 nan 8.230 nan 0.000 0.400 1068 K N -0.575 119.840 120.400 0.025 0.000 3.564 1068 K HA -0.208 4.109 4.320 -0.004 0.000 0.278 1068 K C 0.894 177.498 176.600 0.006 0.000 1.048 1068 K CA 1.288 57.581 56.287 0.010 0.000 1.109 1068 K CB -1.559 30.944 32.500 0.006 0.000 1.405 1068 K HN 0.952 nan 8.250 nan 0.000 0.452 1069 G N 1.039 109.848 108.800 0.015 0.000 1.990 1069 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.705 1069 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.705 1069 G C -0.024 174.888 174.900 0.021 0.000 1.350 1069 G CA 0.728 45.840 45.100 0.019 0.000 1.103 1069 G HN 0.498 nan 8.290 nan 0.000 0.530 1070 R N 0.782 121.305 120.500 0.038 0.000 2.474 1070 R HA -0.051 4.286 4.340 -0.004 0.000 0.275 1070 R C -1.027 175.365 176.300 0.154 0.000 0.945 1070 R CA 0.208 56.366 56.100 0.096 0.000 1.115 1070 R CB -0.009 30.376 30.300 0.141 0.000 0.874 1070 R HN 0.241 nan 8.270 nan 0.000 0.421 1071 P HA -0.385 nan 4.420 nan 0.000 0.266 1071 P C 0.047 177.497 177.300 0.249 0.000 0.796 1071 P CA 2.577 65.802 63.100 0.208 0.000 1.064 1071 P CB -0.689 31.146 31.700 0.225 0.000 0.853 1072 Y N -0.554 119.766 120.300 0.033 0.000 2.942 1072 Y HA 0.152 4.700 4.550 -0.004 0.000 0.522 1072 Y C 1.171 177.107 175.900 0.059 0.000 1.333 1072 Y CA 0.073 58.198 58.100 0.041 0.000 2.218 1072 Y CB -1.963 36.519 38.460 0.037 0.000 1.770 1072 Y HN 0.007 nan 8.280 nan 0.000 0.698 1073 T N -0.163 114.196 114.554 -0.325 0.000 2.897 1073 T HA 0.606 4.953 4.350 -0.004 0.000 0.278 1073 T C 0.243 174.521 174.700 -0.703 0.000 0.981 1073 T CA 0.366 62.267 62.100 -0.331 0.000 0.973 1073 T CB 0.765 69.602 68.868 -0.053 0.000 1.092 1073 T HN 1.306 nan 8.240 nan 0.000 0.543 1074 G N 0.096 108.773 108.800 -0.206 0.000 2.301 1074 G HA2 0.249 4.207 3.960 -0.004 0.000 0.194 1074 G HA3 0.249 4.207 3.960 -0.004 0.000 0.194 1074 G C -1.420 173.612 174.900 0.219 0.000 1.266 1074 G CA 0.097 45.138 45.100 -0.099 0.000 1.210 1074 G HN 1.199 nan 8.290 nan 0.000 0.524 1075 W N -2.612 118.650 121.300 -0.064 0.000 2.943 1075 W HA 0.553 5.211 4.660 -0.004 0.000 0.405 1075 W C -0.605 175.971 176.519 0.095 0.000 0.560 1075 W CA 0.667 58.034 57.345 0.036 0.000 1.148 1075 W CB -0.760 28.771 29.460 0.118 0.000 1.310 1075 W HN 2.230 nan 8.180 nan 0.000 0.587 1076 V N -2.493 117.490 119.914 0.114 0.000 3.047 1076 V HA 0.243 4.361 4.120 -0.004 0.000 0.266 1076 V C -1.317 175.067 176.094 0.482 0.000 1.900 1076 V CA -0.620 61.595 62.300 -0.142 0.000 0.937 1076 V CB 0.998 32.751 31.823 -0.117 0.000 1.366 1076 V HN 0.670 nan 8.190 nan 0.000 0.442 1077 D N 2.221 122.806 120.400 0.308 0.000 2.383 1077 D HA 0.388 5.026 4.640 -0.004 0.000 0.245 1077 D C 0.169 176.626 176.300 0.260 0.000 1.263 1077 D CA 0.925 55.149 54.000 0.372 0.000 0.936 1077 D CB 0.989 41.910 40.800 0.203 0.000 1.053 1077 D HN 0.913 nan 8.370 nan 0.000 0.507 1078 S N 3.366 119.242 115.700 0.292 0.000 2.545 1078 S HA 0.206 4.674 4.470 -0.004 0.000 0.275 1078 S C -0.025 174.668 174.600 0.156 0.000 1.299 1078 S CA -0.692 57.614 58.200 0.177 0.000 1.048 1078 S CB 0.756 64.049 63.200 0.155 0.000 0.938 1078 S HN 0.438 nan 8.310 nan 0.000 0.496 1079 K N 3.187 123.649 120.400 0.104 0.000 2.123 1079 K HA 0.482 4.799 4.320 -0.004 0.000 0.248 1079 K C -0.447 176.209 176.600 0.094 0.000 0.969 1079 K CA 0.088 56.441 56.287 0.109 0.000 0.882 1079 K CB 0.702 33.245 32.500 0.072 0.000 1.080 1079 K HN 0.980 nan 8.250 nan 0.000 0.441 1080 T N 0.132 114.766 114.554 0.133 0.000 0.541 1080 T HA -0.207 4.140 4.350 -0.004 0.000 0.774 1080 T C 0.849 175.580 174.700 0.052 0.000 0.992 1080 T CA 0.550 62.715 62.100 0.107 0.000 4.077 1080 T CB -0.798 68.131 68.868 0.101 0.000 2.303 1080 T HN 0.997 nan 8.240 nan 0.000 0.398 1081 K N 1.660 122.073 120.400 0.023 0.000 2.248 1081 K HA -0.344 3.973 4.320 -0.004 0.000 0.216 1081 K C 1.132 177.735 176.600 0.004 0.000 0.902 1081 K CA 2.759 59.045 56.287 -0.002 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 -0.956 119.251 120.200 0.012 0.000 2.951 1082 E HA 0.072 4.419 4.350 -0.004 0.000 0.110 1082 E C -2.396 174.211 176.600 0.011 0.000 0.875 1082 E CA -0.134 56.272 56.400 0.011 0.000 1.559 1082 E CB 0.642 30.339 29.700 -0.004 0.000 0.927 1082 E HN 0.286 nan 8.360 nan 0.000 0.336 1083 P HA -0.022 nan 4.420 nan 0.000 0.200 1083 P C 0.889 178.192 177.300 0.005 0.000 1.048 1083 P CA 0.451 63.556 63.100 0.009 0.000 0.734 1083 P CB 0.106 31.813 31.700 0.012 0.000 0.648 1084 V N 2.360 122.270 119.914 -0.005 0.000 3.394 1084 V HA -0.066 4.051 4.120 -0.004 0.000 0.340 1084 V C 1.555 177.639 176.094 -0.017 0.000 1.174 1084 V CA 0.795 63.081 62.300 -0.023 0.000 1.368 1084 V CB -2.275 29.512 31.823 -0.060 0.000 1.111 1084 V HN 0.214 nan 8.190 nan 0.000 0.420 1085 D N 0.830 121.236 120.400 0.009 0.000 2.200 1085 D HA -0.215 4.422 4.640 -0.004 0.000 0.192 1085 D C 0.654 176.965 176.300 0.019 0.000 1.008 1085 D CA 1.236 55.252 54.000 0.028 0.000 0.872 1085 D CB -0.270 40.551 40.800 0.035 0.000 0.923 1085 D HN 0.481 nan 8.370 nan 0.000 0.447 1086 D N 2.670 123.078 120.400 0.013 0.000 4.884 1086 D HA -0.131 4.507 4.640 -0.004 0.000 0.256 1086 D C 1.156 177.454 176.300 -0.003 0.000 1.544 1086 D CA 0.809 54.819 54.000 0.017 0.000 1.066 1086 D CB -0.043 40.763 40.800 0.009 0.000 1.319 1086 D HN 0.321 nan 8.370 nan 0.000 0.745 1087 K N 0.660 121.065 120.400 0.009 0.000 2.075 1087 K HA -0.328 3.989 4.320 -0.004 0.000 0.144 1087 K C -0.284 176.315 176.600 -0.002 0.000 1.038 1087 K CA 1.652 57.939 56.287 0.001 0.000 0.321 1087 K CB -0.690 31.844 32.500 0.056 0.000 0.709 1087 K HN 0.536 nan 8.250 nan 0.000 0.762 1088 D N -0.507 119.887 120.400 -0.011 0.000 3.515 1088 D HA -0.087 4.551 4.640 -0.004 0.000 0.247 1088 D C -0.880 175.504 176.300 0.140 0.000 1.084 1088 D CA 1.019 54.976 54.000 -0.072 0.000 1.030 1088 D CB -0.692 40.022 40.800 -0.143 0.000 0.946 1088 D HN 0.469 nan 8.370 nan 0.000 0.420 1089 V N -0.213 119.904 119.914 0.339 0.000 2.461 1089 V HA 0.272 4.390 4.120 -0.004 0.000 0.275 1089 V C 1.756 177.948 176.094 0.163 0.000 1.047 1089 V CA -0.548 61.852 62.300 0.166 0.000 0.955 1089 V CB 1.789 33.658 31.823 0.076 0.000 0.988 1089 V HN 0.344 nan 8.190 nan 0.000 0.471 1090 K N 3.304 123.763 120.400 0.098 0.000 2.248 1090 K HA -0.270 4.047 4.320 -0.004 0.000 0.208 1090 K C 1.564 178.209 176.600 0.075 0.000 1.044 1090 K CA 1.883 58.223 56.287 0.088 0.000 0.933 1090 K CB -0.721 31.818 32.500 0.065 0.000 0.723 1090 K HN 0.985 nan 8.250 nan 0.000 0.475 1091 A N 2.244 125.087 122.820 0.038 0.000 2.198 1091 A HA -0.223 4.095 4.320 -0.004 0.000 0.747 1091 A C 1.684 179.247 177.584 -0.034 0.000 1.329 1091 A CA 1.409 53.431 52.037 -0.025 0.000 2.245 1091 A CB -0.414 18.522 19.000 -0.107 0.000 1.338 1091 A HN 0.207 nan 8.150 nan 0.000 0.756 1092 K N -1.550 118.766 120.400 -0.141 0.000 2.189 1092 K HA -0.184 4.133 4.320 -0.004 0.000 0.207 1092 K C 0.730 177.329 176.600 -0.001 0.000 1.046 1092 K CA 1.729 57.943 56.287 -0.122 0.000 0.928 1092 K CB -0.707 31.646 32.500 -0.246 0.000 0.720 1092 K HN 0.546 nan 8.250 nan 0.000 0.458 1093 Y N 0.145 120.444 120.300 -0.002 0.000 2.701 1093 Y HA 0.091 4.638 4.550 -0.004 0.000 0.479 1093 Y C 1.981 177.871 175.900 -0.017 0.000 1.395 1093 Y CA 0.308 58.401 58.100 -0.011 0.000 2.112 1093 Y CB -0.784 37.671 38.460 -0.008 0.000 1.802 1093 Y HN 0.319 nan 8.280 nan 0.000 0.674 1094 E N -1.079 119.222 120.200 0.168 0.000 3.182 1094 E HA -0.283 4.064 4.350 -0.004 0.000 0.399 1094 E C -0.002 176.593 176.600 -0.007 0.000 1.476 1094 E CA 2.014 58.449 56.400 0.059 0.000 1.220 1094 E CB -1.891 27.854 29.700 0.075 0.000 1.538 1094 E HN 0.590 nan 8.360 nan 0.000 0.480 1095 T N 0.823 115.380 114.554 0.004 0.000 2.848 1095 T HA 0.255 4.602 4.350 -0.004 0.000 0.340 1095 T C 1.084 175.746 174.700 -0.063 0.000 1.091 1095 T CA 1.776 63.850 62.100 -0.043 0.000 1.123 1095 T CB -0.047 68.827 68.868 0.011 0.000 1.042 1095 T HN 0.727 nan 8.240 nan 0.000 0.544 1096 S N 0.461 116.059 115.700 -0.170 0.000 4.159 1096 S HA -0.240 4.227 4.470 -0.004 0.000 0.548 1096 S C 1.271 175.780 174.600 -0.152 0.000 1.865 1096 S CA 0.770 58.895 58.200 -0.126 0.000 4.250 1096 S CB -1.452 61.769 63.200 0.034 0.000 0.203 1096 S HN 0.821 nan 8.310 nan 0.000 0.454 1097 I N 2.225 122.757 120.570 -0.063 0.000 3.330 1097 I HA -0.083 4.085 4.170 -0.004 0.000 0.298 1097 I C 0.238 176.245 176.117 -0.183 0.000 1.317 1097 I CA 1.169 62.413 61.300 -0.094 0.000 1.334 1097 I CB -0.245 37.682 38.000 -0.122 0.000 1.031 1097 I HN 0.420 nan 8.210 nan 0.000 0.547 1098 L N -1.392 119.661 121.223 -0.284 0.000 4.914 1098 L HA 0.168 4.505 4.340 -0.004 0.000 0.494 1098 L C 0.785 177.353 176.870 -0.503 0.000 0.929 1098 L CA 0.263 54.813 54.840 -0.483 0.000 1.912 1098 L CB -0.792 41.005 42.059 -0.437 0.000 1.710 1098 L HN 0.155 nan 8.230 nan 0.000 0.601 1099 E N 0.091 119.995 120.200 -0.493 0.000 4.337 1099 E HA 0.084 4.432 4.350 -0.004 0.000 0.516 1099 E C 1.292 177.595 176.600 -0.495 0.000 0.822 1099 E CA 0.868 57.009 56.400 -0.431 0.000 3.237 1099 E CB 0.325 29.850 29.700 -0.292 0.000 2.124 1099 E HN 0.405 nan 8.360 nan 0.000 0.580 1100 H N -0.889 118.201 119.070 0.033 0.000 1.452 1100 H HA -0.366 4.187 4.556 -0.004 0.000 0.090 1100 H C 1.603 176.955 175.328 0.041 0.000 1.291 1100 H CA 2.768 58.849 56.048 0.054 0.000 1.901 1100 H CB -2.137 27.650 29.762 0.041 0.000 2.257 1100 H HN 0.369 nan 8.280 nan 0.000 0.961 1101 S N 0.441 116.340 115.700 0.332 0.000 2.440 1101 S HA -0.087 4.380 4.470 -0.004 0.000 0.238 1101 S C 2.378 177.043 174.600 0.108 0.000 1.010 1101 S CA 1.022 59.339 58.200 0.196 0.000 0.972 1101 S CB -1.105 62.223 63.200 0.214 0.000 0.774 1101 S HN 0.927 nan 8.310 nan 0.000 0.501 1102 G N 0.720 109.493 108.800 -0.046 0.000 2.615 1102 G HA2 0.095 4.053 3.960 -0.004 0.000 0.213 1102 G HA3 0.095 4.053 3.960 -0.004 0.000 0.213 1102 G C 0.938 175.848 174.900 0.016 0.000 1.135 1102 G CA 0.940 45.971 45.100 -0.115 0.000 0.772 1102 G HN 0.622 nan 8.290 nan 0.000 0.542 1103 I N -1.814 118.804 120.570 0.079 0.000 4.518 1103 I HA 0.253 4.421 4.170 -0.004 0.000 0.247 1103 I C 0.526 176.648 176.117 0.009 0.000 0.994 1103 I CA -0.908 60.441 61.300 0.081 0.000 2.009 1103 I CB -0.023 38.115 38.000 0.230 0.000 1.547 1103 I HN -0.279 nan 8.210 nan 0.000 0.463 1104 R N 3.615 124.145 120.500 0.050 0.000 3.908 1104 R HA -0.023 4.315 4.340 -0.004 0.000 0.299 1104 R C -0.092 176.194 176.300 -0.023 0.000 0.624 1104 R CA 0.802 56.900 56.100 -0.004 0.000 0.997 1104 R CB -1.120 29.194 30.300 0.023 0.000 0.917 1104 R HN 0.533 nan 8.270 nan 0.000 0.339 1105 L N 1.506 122.679 121.223 -0.084 0.000 1.217 1105 L HA -0.061 4.277 4.340 -0.004 0.000 0.503 1105 L C 0.305 177.162 176.870 -0.021 0.000 0.787 1105 L CA -0.017 54.844 54.840 0.035 0.000 2.047 1105 L CB -0.334 41.953 42.059 0.380 0.000 1.280 1105 L HN 0.317 nan 8.230 nan 0.000 0.437 1106 I N 1.337 121.747 120.570 -0.266 0.000 2.781 1106 I HA 0.232 4.400 4.170 -0.004 0.000 0.303 1106 I C 0.698 176.334 176.117 -0.801 0.000 1.161 1106 I CA 0.612 61.533 61.300 -0.632 0.000 1.341 1106 I CB 0.166 37.730 38.000 -0.727 0.000 1.585 1106 I HN 0.267 nan 8.210 nan 0.000 0.567 1107 E N 1.685 121.548 120.200 -0.562 0.000 0.413 1107 E HA 0.072 4.420 4.350 -0.004 0.000 0.136 1107 E C -2.629 173.808 176.600 -0.272 0.000 2.519 1107 E CA -0.241 55.931 56.400 -0.381 0.000 1.491 1107 E CB -0.613 28.969 29.700 -0.198 0.000 0.458 1107 E HN -0.125 nan 8.360 nan 0.000 0.896 1108 P HA -0.098 nan 4.420 nan 0.000 0.275 1108 P C -0.064 177.131 177.300 -0.176 0.000 1.195 1108 P CA 2.175 65.192 63.100 -0.139 0.000 0.779 1108 P CB 0.191 31.835 31.700 -0.093 0.000 0.793 1109 E N -0.519 119.618 120.200 -0.106 0.000 4.252 1109 E HA -0.202 4.145 4.350 -0.004 0.000 0.373 1109 E C 1.327 177.913 176.600 -0.023 0.000 0.570 1109 E CA 1.129 57.478 56.400 -0.085 0.000 1.570 1109 E CB -1.725 27.850 29.700 -0.208 0.000 1.887 1109 E HN 0.521 nan 8.360 nan 0.000 0.407 1110 L N -2.945 118.262 121.223 -0.026 0.000 3.898 1110 L HA -0.334 4.004 4.340 -0.004 0.000 0.382 1110 L C 1.070 177.997 176.870 0.096 0.000 0.711 1110 L CA 1.271 56.160 54.840 0.082 0.000 2.828 1110 L CB -1.033 41.131 42.059 0.175 0.000 0.852 1110 L HN 0.210 nan 8.230 nan 0.000 0.694 1111 F N -0.838 119.034 119.950 -0.130 0.000 2.183 1111 F HA -0.229 4.295 4.527 -0.004 0.000 0.318 1111 F C 0.693 176.525 175.800 0.053 0.000 0.129 1111 F CA 1.717 59.650 58.000 -0.112 0.000 0.912 1111 F CB -0.570 38.130 39.000 -0.499 0.000 4.135 1111 F HN 0.498 nan 8.300 nan 0.000 0.137 1112 N N -1.151 117.904 118.700 0.592 0.000 4.574 1112 N HA 0.409 5.146 4.740 -0.004 0.000 0.208 1112 N C -0.314 175.390 175.510 0.325 0.000 1.237 1112 N CA 0.804 54.093 53.050 0.398 0.000 0.836 1112 N CB 0.847 39.477 38.487 0.237 0.000 1.504 1112 N HN 1.816 nan 8.380 nan 0.000 0.492 1113 G N 0.145 109.047 108.800 0.170 0.000 2.137 1113 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.237 1113 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.237 1113 G C -0.003 174.869 174.900 -0.047 0.000 1.002 1113 G CA 0.992 46.116 45.100 0.040 0.000 0.702 1113 G HN 0.524 nan 8.290 nan 0.000 0.515 1114 Y N 0.062 120.352 120.300 -0.016 0.000 2.624 1114 Y HA 0.255 4.802 4.550 -0.004 0.000 0.260 1114 Y C 1.868 177.767 175.900 -0.001 0.000 1.090 1114 Y CA 1.255 59.340 58.100 -0.024 0.000 1.347 1114 Y CB 0.536 39.014 38.460 0.029 0.000 1.349 1114 Y HN 0.302 nan 8.280 nan 0.000 0.502 1115 N N 1.017 119.860 118.700 0.239 0.000 2.535 1115 N HA 0.196 4.933 4.740 -0.004 0.000 0.294 1115 N C -2.498 173.009 175.510 -0.005 0.000 1.408 1115 N CA -0.635 52.476 53.050 0.102 0.000 0.927 1115 N CB 0.902 39.451 38.487 0.102 0.000 1.276 1115 N HN 0.257 nan 8.380 nan 0.000 0.505 1116 P HA 0.166 nan 4.420 nan 0.000 0.312 1116 P C 0.202 177.503 177.300 0.001 0.000 1.397 1116 P CA 0.394 63.487 63.100 -0.012 0.000 1.197 1116 P CB 0.728 32.398 31.700 -0.049 0.000 1.605 1117 E N -0.776 119.427 120.200 0.006 0.000 2.527 1117 E HA 0.050 4.397 4.350 -0.004 0.000 0.211 1117 E C 0.933 177.544 176.600 0.018 0.000 1.031 1117 E CA -0.074 56.333 56.400 0.011 0.000 1.654 1117 E CB -0.841 28.847 29.700 -0.020 0.000 2.873 1117 E HN -0.292 nan 8.360 nan 0.000 1.109 1118 K N 2.255 122.647 120.400 -0.013 0.000 4.391 1118 K HA -0.252 4.066 4.320 -0.004 0.000 0.257 1118 K C 0.893 177.510 176.600 0.029 0.000 0.667 1118 K CA 0.949 57.223 56.287 -0.023 0.000 0.542 1118 K CB -0.871 31.593 32.500 -0.061 0.000 2.054 1118 K HN 0.219 nan 8.250 nan 0.000 0.397 1119 K N 1.755 122.174 120.400 0.032 0.000 2.163 1119 K HA -0.283 4.034 4.320 -0.004 0.000 0.210 1119 K C 0.695 177.336 176.600 0.069 0.000 1.048 1119 K CA 2.338 58.660 56.287 0.057 0.000 0.928 1119 K CB 0.059 32.591 32.500 0.054 0.000 0.716 1119 K HN 0.616 nan 8.250 nan 0.000 0.459 1120 E N -2.757 117.480 120.200 0.062 0.000 5.006 1120 E HA -0.327 4.021 4.350 -0.004 0.000 0.214 1120 E C 1.383 178.032 176.600 0.081 0.000 0.970 1120 E CA 2.010 58.463 56.400 0.088 0.000 1.705 1120 E CB -1.446 28.323 29.700 0.114 0.000 1.789 1120 E HN 0.368 nan 8.360 nan 0.000 0.384 1121 M N 0.170 119.811 119.600 0.068 0.000 2.123 1121 M HA 0.024 4.501 4.480 -0.004 0.000 0.263 1121 M C 1.690 178.036 176.300 0.076 0.000 1.069 1121 M CA 1.160 56.495 55.300 0.057 0.000 1.133 1121 M CB -0.182 32.446 32.600 0.047 0.000 1.356 1121 M HN 0.222 nan 8.290 nan 0.000 0.415 1122 I N -1.307 119.315 120.570 0.087 0.000 2.476 1122 I HA 0.394 4.562 4.170 -0.004 0.000 0.281 1122 I C -0.542 175.606 176.117 0.052 0.000 1.040 1122 I CA -0.690 60.679 61.300 0.116 0.000 1.094 1122 I CB 1.349 39.475 38.000 0.210 0.000 1.219 1122 I HN 0.041 nan 8.210 nan 0.000 0.450 1123 Q N 5.039 124.855 119.800 0.027 0.000 2.279 1123 Q HA 0.196 4.533 4.340 -0.004 0.000 0.256 1123 Q C -0.316 175.591 176.000 -0.155 0.000 0.937 1123 Q CA -0.311 55.457 55.803 -0.058 0.000 0.933 1123 Q CB 1.305 30.011 28.738 -0.053 0.000 1.189 1123 Q HN 0.732 nan 8.270 nan 0.000 0.417 1124 E N 3.267 123.320 120.200 -0.244 0.000 2.265 1124 E HA 0.201 4.548 4.350 -0.004 0.000 0.272 1124 E C -1.218 175.188 176.600 -0.323 0.000 1.067 1124 E CA -0.224 55.926 56.400 -0.417 0.000 0.900 1124 E CB 0.544 30.011 29.700 -0.388 0.000 1.017 1124 E HN 0.369 nan 8.360 nan 0.000 0.431 1125 V N 4.964 124.681 119.914 -0.329 0.000 3.102 1125 V HA 0.505 4.622 4.120 -0.004 0.000 0.312 1125 V C -0.000 175.980 176.094 -0.189 0.000 1.135 1125 V CA -0.950 61.234 62.300 -0.194 0.000 1.022 1125 V CB 1.969 33.730 31.823 -0.103 0.000 1.056 1125 V HN 0.575 nan 8.190 nan 0.000 0.436 1126 I N 0.964 121.475 120.570 -0.099 0.000 2.750 1126 I HA 0.679 4.847 4.170 -0.004 0.000 0.308 1126 I C -0.960 175.155 176.117 -0.003 0.000 1.016 1126 I CA -1.001 60.264 61.300 -0.059 0.000 1.098 1126 I CB 2.209 40.187 38.000 -0.037 0.000 1.279 1126 I HN 0.258 nan 8.210 nan 0.000 0.454 1127 V N 3.269 123.196 119.914 0.022 0.000 2.789 1127 V HA 0.281 4.399 4.120 -0.004 0.000 0.311 1127 V C -0.558 175.553 176.094 0.027 0.000 1.073 1127 V CA -0.608 61.713 62.300 0.035 0.000 0.921 1127 V CB 2.244 34.099 31.823 0.054 0.000 1.009 1127 V HN 0.859 nan 8.190 nan 0.000 0.426 1128 E N 4.240 124.454 120.200 0.023 0.000 2.214 1128 E HA 0.760 5.107 4.350 -0.004 0.000 0.274 1128 E C -0.688 175.915 176.600 0.004 0.000 0.977 1128 E CA -0.659 55.749 56.400 0.013 0.000 0.827 1128 E CB 2.223 31.934 29.700 0.019 0.000 1.130 1128 E HN 0.815 nan 8.360 nan 0.000 0.394 1129 E N 1.410 121.603 120.200 -0.013 0.000 2.368 1129 E HA 0.330 4.677 4.350 -0.004 0.000 0.257 1129 E C -1.233 175.329 176.600 -0.064 0.000 1.022 1129 E CA -0.805 55.577 56.400 -0.029 0.000 0.886 1129 E CB 1.055 30.740 29.700 -0.025 0.000 1.740 1129 E HN 0.560 nan 8.360 nan 0.000 0.456 1130 D N 0.487 120.824 120.400 -0.105 0.000 4.082 1130 D HA 0.130 4.767 4.640 -0.004 0.000 0.255 1130 D C 0.096 176.233 176.300 -0.272 0.000 1.427 1130 D CA -0.373 53.506 54.000 -0.201 0.000 0.804 1130 D CB -1.193 39.453 40.800 -0.258 0.000 1.364 1130 D HN 0.500 nan 8.370 nan 0.000 0.809 1131 L N -0.311 120.803 121.223 -0.182 0.000 2.506 1131 L HA -0.129 4.208 4.340 -0.004 0.000 0.326 1131 L C 0.733 177.462 176.870 -0.235 0.000 1.373 1131 L CA 0.833 55.575 54.840 -0.163 0.000 0.824 1131 L CB -0.071 41.925 42.059 -0.106 0.000 0.993 1131 L HN -0.003 nan 8.230 nan 0.000 0.648 1132 E N -0.764 119.341 120.200 -0.158 0.000 2.585 1132 E HA 0.225 4.572 4.350 -0.004 0.000 0.206 1132 E C -2.143 174.384 176.600 -0.121 0.000 1.007 1132 E CA -0.767 55.538 56.400 -0.160 0.000 1.028 1132 E CB -0.143 29.520 29.700 -0.062 0.000 1.087 1132 E HN 0.483 nan 8.360 nan 0.000 0.455 1133 P HA 0.537 nan 4.420 nan 0.000 0.330 1133 P C -0.771 176.405 177.300 -0.206 0.000 1.323 1133 P CA -0.489 62.655 63.100 0.074 0.000 0.828 1133 P CB 0.995 32.757 31.700 0.102 0.000 2.009 1134 F N -3.088 116.864 119.950 0.003 0.000 2.877 1134 F HA 0.373 4.896 4.527 -0.006 0.000 0.319 1134 F C 0.692 176.496 175.800 0.008 0.000 1.174 1134 F CA -0.436 57.573 58.000 0.016 0.000 0.903 1134 F CB 0.656 39.670 39.000 0.023 0.000 1.357 1134 F HN 0.095 nan 8.300 nan 0.000 0.472 1135 E N 0.411 120.732 120.200 0.201 0.000 3.701 1135 E HA 0.615 4.963 4.350 -0.004 0.000 0.206 1135 E C -0.698 175.950 176.600 0.079 0.000 1.229 1135 E CA 0.671 57.136 56.400 0.108 0.000 1.573 1135 E CB 0.600 30.339 29.700 0.065 0.000 1.449 1135 E HN 0.924 nan 8.360 nan 0.000 0.618 1136 A N 1.003 123.867 122.820 0.073 0.000 3.364 1136 A HA 0.018 4.336 4.320 -0.004 0.000 0.262 1136 A C 0.230 177.827 177.584 0.023 0.000 1.301 1136 A CA 0.335 52.398 52.037 0.043 0.000 0.745 1136 A CB -2.284 16.734 19.000 0.030 0.000 1.039 1136 A HN 0.384 nan 8.150 nan 0.000 0.428 1137 S N 0.221 115.935 115.700 0.024 0.000 2.672 1137 S HA 0.805 5.272 4.470 -0.004 0.000 0.276 1137 S C 0.057 174.653 174.600 -0.006 0.000 1.207 1137 S CA 0.019 58.226 58.200 0.012 0.000 1.002 1137 S CB 1.960 65.172 63.200 0.021 0.000 0.998 1137 S HN 1.007 nan 8.310 nan 0.000 0.542 1138 K N -0.047 120.344 120.400 -0.015 0.000 2.288 1138 K HA 0.576 4.894 4.320 -0.004 0.000 0.234 1138 K C -0.275 176.308 176.600 -0.028 0.000 1.037 1138 K CA -0.476 55.789 56.287 -0.038 0.000 0.914 1138 K CB 0.667 33.143 32.500 -0.041 0.000 1.197 1138 K HN 0.929 nan 8.250 nan 0.000 0.471 1139 E N -1.069 119.102 120.200 -0.048 0.000 0.509 1139 E HA 0.022 4.370 4.350 -0.004 0.000 0.135 1139 E C -1.387 175.185 176.600 -0.047 0.000 2.486 1139 E CA -0.275 56.111 56.400 -0.025 0.000 1.468 1139 E CB -0.473 29.236 29.700 0.016 0.000 0.620 1139 E HN 0.693 nan 8.360 nan 0.000 0.885 1140 T N -1.804 112.738 114.554 -0.020 0.000 2.821 1140 T HA 0.842 5.190 4.350 -0.004 0.000 0.306 1140 T C 0.149 174.887 174.700 0.063 0.000 1.313 1140 T CA -0.410 61.673 62.100 -0.027 0.000 1.012 1140 T CB 1.552 70.424 68.868 0.005 0.000 1.298 1140 T HN 1.082 nan 8.240 nan 0.000 0.502 1141 A N 0.808 123.648 122.820 0.033 0.000 2.504 1141 A HA 0.442 4.760 4.320 -0.004 0.000 0.242 1141 A C 1.222 179.053 177.584 0.412 0.000 1.100 1141 A CA 1.112 53.335 52.037 0.311 0.000 0.786 1141 A CB -1.182 17.919 19.000 0.170 0.000 1.050 1141 A HN 1.302 nan 8.150 nan 0.000 0.512 1142 E N -1.567 118.823 120.200 0.317 0.000 3.989 1142 E HA -0.411 3.936 4.350 -0.004 0.000 0.213 1142 E C 1.649 177.884 176.600 -0.609 0.000 1.243 1142 E CA 1.980 58.181 56.400 -0.330 0.000 2.156 1142 E CB -1.339 28.245 29.700 -0.192 0.000 1.852 1142 E HN 0.815 nan 8.360 nan 0.000 0.298 1143 Q N -0.672 118.969 119.800 -0.265 0.000 2.293 1143 Q HA -0.282 4.056 4.340 -0.004 0.000 0.218 1143 Q C 2.177 178.144 176.000 -0.055 0.000 1.015 1143 Q CA 2.900 58.633 55.803 -0.117 0.000 0.941 1143 Q CB -0.378 28.394 28.738 0.057 0.000 0.979 1143 Q HN 0.581 nan 8.270 nan 0.000 0.416 1144 F N -1.298 118.560 119.950 -0.154 0.000 2.383 1144 F HA 0.238 4.762 4.527 -0.004 0.000 0.287 1144 F C 1.922 177.713 175.800 -0.015 0.000 1.069 1144 F CA 0.251 58.218 58.000 -0.055 0.000 1.402 1144 F CB -0.658 38.311 39.000 -0.052 0.000 1.116 1144 F HN -0.275 nan 8.300 nan 0.000 0.549 1145 K N 0.328 119.348 120.400 -2.301 0.000 2.097 1145 K HA -0.288 4.030 4.320 -0.004 0.000 0.214 1145 K C 1.953 178.272 176.600 -0.468 0.000 1.052 1145 K CA 2.570 57.985 56.287 -1.453 0.000 0.932 1145 K CB -0.568 31.350 32.500 -0.969 0.000 0.716 1145 K HN 0.591 nan 8.250 nan 0.000 0.455 1146 H N -1.020 117.858 119.070 -0.319 0.000 2.253 1146 H HA -0.173 4.380 4.556 -0.004 0.000 0.296 1146 H C 2.324 177.605 175.328 -0.079 0.000 1.067 1146 H CA 1.204 57.167 56.048 -0.143 0.000 1.245 1146 H CB -0.169 29.542 29.762 -0.086 0.000 1.364 1146 H HN 0.155 nan 8.280 nan 0.000 0.494 1147 Q N -0.105 119.750 119.800 0.092 0.000 2.250 1147 Q HA -0.285 4.052 4.340 -0.004 0.000 0.215 1147 Q C 2.063 178.145 176.000 0.137 0.000 1.002 1147 Q CA 2.183 58.047 55.803 0.102 0.000 0.910 1147 Q CB -0.281 28.529 28.738 0.120 0.000 0.939 1147 Q HN 0.614 nan 8.270 nan 0.000 0.416 1148 H N -2.384 116.657 119.070 -0.049 0.000 2.266 1148 H HA 0.013 4.567 4.556 -0.004 0.000 0.308 1148 H C 1.609 176.932 175.328 -0.010 0.000 1.057 1148 H CA 0.622 56.656 56.048 -0.023 0.000 1.330 1148 H CB -0.250 29.454 29.762 -0.097 0.000 1.400 1148 H HN 0.423 nan 8.280 nan 0.000 0.503 1149 G N 0.313 109.031 108.800 -0.137 0.000 2.689 1149 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.216 1149 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.216 1149 G C 0.868 175.714 174.900 -0.089 0.000 1.119 1149 G CA 1.075 46.063 45.100 -0.187 0.000 0.732 1149 G HN 0.494 nan 8.290 nan 0.000 0.576 1150 D N 0.230 120.617 120.400 -0.020 0.000 2.855 1150 D HA 0.069 4.707 4.640 -0.004 0.000 0.257 1150 D C 0.419 176.749 176.300 0.050 0.000 1.542 1150 D CA 0.220 54.230 54.000 0.017 0.000 1.164 1150 D CB 0.222 41.048 40.800 0.043 0.000 1.004 1150 D HN -0.011 nan 8.370 nan 0.000 0.293 1151 K N 2.028 122.492 120.400 0.106 0.000 2.237 1151 K HA 0.196 4.513 4.320 -0.004 0.000 0.283 1151 K C -0.281 176.459 176.600 0.234 0.000 1.080 1151 K CA -0.106 56.287 56.287 0.176 0.000 0.965 1151 K CB 0.294 32.919 32.500 0.208 0.000 1.098 1151 K HN -0.014 nan 8.250 nan 0.000 0.434 1152 V N 1.208 121.245 119.914 0.204 0.000 2.960 1152 V HA -0.231 3.887 4.120 -0.004 0.000 0.282 1152 V C 1.701 177.904 176.094 0.182 0.000 1.420 1152 V CA 0.478 62.855 62.300 0.128 0.000 1.448 1152 V CB 0.285 32.182 31.823 0.123 0.000 0.886 1152 V HN 0.832 nan 8.190 nan 0.000 0.522 1153 D N 2.606 123.129 120.400 0.205 0.000 2.239 1153 D HA -0.199 4.438 4.640 -0.004 0.000 0.202 1153 D C 1.632 177.986 176.300 0.089 0.000 0.993 1153 D CA 1.932 56.139 54.000 0.346 0.000 0.874 1153 D CB 0.153 41.205 40.800 0.420 0.000 0.922 1153 D HN 0.895 nan 8.370 nan 0.000 0.464 1154 I N -3.134 117.398 120.570 -0.063 0.000 3.555 1154 I HA 0.045 4.212 4.170 -0.004 0.000 0.304 1154 I C -0.735 174.911 176.117 -0.786 0.000 1.246 1154 I CA 0.311 61.389 61.300 -0.370 0.000 1.220 1154 I CB -0.445 37.282 38.000 -0.455 0.000 1.001 1154 I HN -0.249 nan 8.210 nan 0.000 0.513 1155 F N 1.982 121.979 119.950 0.079 0.000 3.397 1155 F HA 0.404 4.928 4.527 -0.005 0.000 0.406 1155 F C -0.525 175.352 175.800 0.129 0.000 1.166 1155 F CA -0.756 57.299 58.000 0.092 0.000 1.322 1155 F CB 0.154 39.179 39.000 0.042 0.000 2.322 1155 F HN 0.227 nan 8.300 nan 0.000 0.709 1156 E N 2.409 122.765 120.200 0.259 0.000 7.581 1156 E HA -0.094 4.254 4.350 -0.004 0.000 0.426 1156 E C -1.894 174.798 176.600 0.153 0.000 0.500 1156 E CA 0.243 56.766 56.400 0.205 0.000 0.975 1156 E CB -0.437 29.384 29.700 0.202 0.000 0.955 1156 E HN 0.551 nan 8.360 nan 0.000 0.262 1157 I N 3.817 124.440 120.570 0.089 0.000 2.740 1157 I HA 0.521 4.688 4.170 -0.004 0.000 0.303 1157 I C -1.557 174.535 176.117 -0.043 0.000 1.044 1157 I CA -2.192 59.093 61.300 -0.024 0.000 1.064 1157 I CB 1.840 39.839 38.000 -0.003 0.000 1.249 1157 I HN 0.337 nan 8.210 nan 0.000 0.433 1158 P HA 0.134 nan 4.420 nan 0.000 0.204 1158 P C -0.416 176.815 177.300 -0.115 0.000 1.214 1158 P CA 0.806 63.898 63.100 -0.014 0.000 0.902 1158 P CB 0.503 32.313 31.700 0.183 0.000 0.733 1159 E N -2.830 117.287 120.200 -0.139 0.000 8.839 1159 E HA -0.087 4.261 4.350 -0.004 0.000 0.490 1159 E C -0.615 175.833 176.600 -0.253 0.000 1.298 1159 E CA 0.644 56.952 56.400 -0.154 0.000 2.312 1159 E CB -1.935 27.698 29.700 -0.112 0.000 1.006 1159 E HN 0.256 nan 8.360 nan 0.000 0.262 1160 T N 0.646 115.084 114.554 -0.193 0.000 2.788 1160 T HA 0.609 4.957 4.350 -0.004 0.000 0.296 1160 T C 0.214 174.788 174.700 -0.210 0.000 1.009 1160 T CA 0.142 62.107 62.100 -0.225 0.000 0.949 1160 T CB 0.355 69.127 68.868 -0.160 0.000 0.946 1160 T HN 0.688 nan 8.240 nan 0.000 0.453 1161 G N 4.777 113.420 108.800 -0.263 0.000 2.985 1161 G HA2 0.369 4.326 3.960 -0.004 0.000 0.282 1161 G HA3 0.369 4.326 3.960 -0.004 0.000 0.282 1161 G C 0.309 174.930 174.900 -0.464 0.000 0.791 1161 G CA -0.735 44.183 45.100 -0.303 0.000 1.934 1161 G HN 0.830 nan 8.290 nan 0.000 0.563 1162 E N 1.030 121.011 120.200 -0.365 0.000 2.604 1162 E HA -0.181 4.166 4.350 -0.004 0.000 0.276 1162 E C 0.791 176.966 176.600 -0.709 0.000 1.224 1162 E CA 0.402 56.613 56.400 -0.316 0.000 1.115 1162 E CB -0.389 29.299 29.700 -0.021 0.000 1.066 1162 E HN 1.132 nan 8.360 nan 0.000 0.479 1163 Y N -2.543 117.736 120.300 -0.035 0.000 3.617 1163 Y HA -0.316 4.231 4.550 -0.005 0.000 0.215 1163 Y C 0.159 176.039 175.900 -0.032 0.000 1.178 1163 Y CA 0.806 58.889 58.100 -0.029 0.000 1.517 1163 Y CB -1.976 36.470 38.460 -0.024 0.000 1.457 1163 Y HN 0.613 nan 8.280 nan 0.000 0.615 1164 S N -1.722 113.818 115.700 -0.266 0.000 4.107 1164 S HA 0.640 5.107 4.470 -0.004 0.000 0.275 1164 S C 0.574 175.059 174.600 -0.191 0.000 1.010 1164 S CA 0.277 58.340 58.200 -0.228 0.000 1.267 1164 S CB 0.014 62.996 63.200 -0.363 0.000 1.820 1164 S HN 0.988 nan 8.310 nan 0.000 0.449 1165 V N -0.074 119.712 119.914 -0.213 0.000 5.271 1165 V HA 0.738 4.856 4.120 -0.004 0.000 0.171 1165 V C -0.242 175.678 176.094 -0.290 0.000 1.167 1165 V CA -0.093 62.085 62.300 -0.204 0.000 1.392 1165 V CB -0.514 31.211 31.823 -0.163 0.000 2.159 1165 V HN 0.675 nan 8.190 nan 0.000 0.354 1166 K N -1.074 119.121 120.400 -0.342 0.000 2.495 1166 K HA 0.570 4.887 4.320 -0.004 0.000 0.268 1166 K C -0.792 175.612 176.600 -0.327 0.000 1.008 1166 K CA -0.680 55.337 56.287 -0.450 0.000 0.882 1166 K CB 2.585 34.537 32.500 -0.913 0.000 1.443 1166 K HN 0.341 nan 8.250 nan 0.000 0.447 1167 L N 0.508 121.560 121.223 -0.285 0.000 2.822 1167 L HA 0.513 4.851 4.340 -0.004 0.000 0.153 1167 L C -0.210 176.587 176.870 -0.121 0.000 1.695 1167 L CA -0.144 54.598 54.840 -0.164 0.000 2.336 1167 L CB 0.382 42.369 42.059 -0.120 0.000 2.854 1167 L HN 0.520 nan 8.230 nan 0.000 0.610 1168 L N -1.033 120.161 121.223 -0.049 0.000 3.153 1168 L HA 0.152 4.490 4.340 -0.004 0.000 0.265 1168 L C -1.174 175.726 176.870 0.050 0.000 0.964 1168 L CA -0.546 54.303 54.840 0.016 0.000 1.048 1168 L CB 0.980 43.058 42.059 0.032 0.000 1.543 1168 L HN 0.553 nan 8.230 nan 0.000 0.395 1169 K N 0.314 120.763 120.400 0.080 0.000 1.540 1169 K HA 0.069 4.387 4.320 -0.004 0.000 0.692 1169 K C -0.083 176.596 176.600 0.131 0.000 1.812 1169 K CA 2.155 58.501 56.287 0.098 0.000 1.347 1169 K CB -0.842 31.706 32.500 0.081 0.000 2.262 1169 K HN 1.617 nan 8.250 nan 0.000 0.565 1170 G N -0.549 108.339 108.800 0.147 0.000 2.579 1170 G HA2 0.579 4.536 3.960 -0.004 0.000 0.080 1170 G HA3 0.579 4.536 3.960 -0.004 0.000 0.080 1170 G C -0.057 174.875 174.900 0.053 0.000 1.040 1170 G CA 0.619 45.861 45.100 0.238 0.000 1.118 1170 G HN 1.996 nan 8.290 nan 0.000 0.485 1171 A N -2.190 120.682 122.820 0.086 0.000 6.880 1171 A HA 0.164 4.482 4.320 -0.004 0.000 0.254 1171 A C 0.766 178.129 177.584 -0.369 0.000 2.140 1171 A CA 1.550 53.624 52.037 0.063 0.000 0.766 1171 A CB -1.522 17.649 19.000 0.285 0.000 0.986 1171 A HN 2.002 nan 8.150 nan 0.000 0.395 1172 T N 1.335 115.847 114.554 -0.070 0.000 3.240 1172 T HA 0.470 4.818 4.350 -0.004 0.000 0.248 1172 T C 0.879 175.104 174.700 -0.792 0.000 0.929 1172 T CA 0.721 62.587 62.100 -0.390 0.000 0.939 1172 T CB -1.071 67.773 68.868 -0.041 0.000 1.114 1172 T HN 1.493 nan 8.240 nan 0.000 0.558 1173 L N -0.627 120.275 121.223 -0.534 0.000 6.030 1173 L HA -0.249 4.089 4.340 -0.004 0.000 0.053 1173 L C -0.888 175.703 176.870 -0.465 0.000 2.908 1173 L CA 1.018 55.558 54.840 -0.501 0.000 1.356 1173 L CB -1.204 40.556 42.059 -0.500 0.000 3.049 1173 L HN 0.483 nan 8.230 nan 0.000 1.083 1174 Y N -0.505 119.710 120.300 -0.142 0.000 2.656 1174 Y HA 0.114 4.663 4.550 -0.002 0.000 0.032 1174 Y C 0.465 176.301 175.900 -0.107 0.000 1.862 1174 Y CA 0.281 58.281 58.100 -0.167 0.000 1.309 1174 Y CB -1.533 36.744 38.460 -0.305 0.000 1.965 1174 Y HN 0.674 nan 8.280 nan 0.000 0.275 1175 I N -0.731 119.831 120.570 -0.013 0.000 1.560 1175 I HA -0.195 3.972 4.170 -0.004 0.000 0.310 1175 I C -2.146 173.941 176.117 -0.050 0.000 3.209 1175 I CA -0.142 61.151 61.300 -0.013 0.000 1.061 1175 I CB -0.718 37.285 38.000 0.005 0.000 2.593 1175 I HN 0.412 nan 8.210 nan 0.000 0.697 1176 P HA 0.135 nan 4.420 nan 0.000 0.282 1176 P C -1.109 176.176 177.300 -0.024 0.000 1.327 1176 P CA 0.457 63.541 63.100 -0.027 0.000 0.949 1176 P CB 0.528 32.213 31.700 -0.025 0.000 1.445 1177 K N -0.376 120.014 120.400 -0.017 0.000 6.451 1177 K HA -0.081 4.237 4.320 -0.004 0.000 0.695 1177 K C 0.726 177.330 176.600 0.006 0.000 1.739 1177 K CA 0.119 56.403 56.287 -0.004 0.000 1.661 1177 K CB -1.789 30.704 32.500 -0.010 0.000 1.886 1177 K HN 0.135 nan 8.250 nan 0.000 0.334 1178 A N 3.864 126.701 122.820 0.029 0.000 1.889 1178 A HA 0.411 4.729 4.320 -0.004 0.000 0.209 1178 A C 0.834 178.476 177.584 0.095 0.000 1.315 1178 A CA 1.593 53.669 52.037 0.066 0.000 0.611 1178 A CB -0.227 18.820 19.000 0.079 0.000 0.950 1178 A HN 1.275 nan 8.150 nan 0.000 0.477 1179 L N -4.545 116.767 121.223 0.147 0.000 5.457 1179 L HA 0.235 4.573 4.340 -0.004 0.000 0.237 1179 L C -0.813 176.252 176.870 0.325 0.000 1.130 1179 L CA -0.922 54.002 54.840 0.140 0.000 0.814 1179 L CB -0.192 41.863 42.059 -0.006 0.000 1.513 1179 L HN 0.442 nan 8.230 nan 0.000 0.282 1180 R N 1.746 122.368 120.500 0.203 0.000 2.774 1180 R HA 0.703 5.040 4.340 -0.004 0.000 0.269 1180 R C -1.352 175.179 176.300 0.385 0.000 1.068 1180 R CA 0.047 56.333 56.100 0.310 0.000 1.180 1180 R CB 0.557 30.940 30.300 0.138 0.000 1.077 1180 R HN 0.524 nan 8.270 nan 0.000 0.513 1181 F N 0.396 120.348 119.950 0.004 0.000 2.671 1181 F HA 0.222 4.748 4.527 -0.002 0.000 0.332 1181 F C -0.230 175.578 175.800 0.013 0.000 1.189 1181 F CA -0.845 57.157 58.000 0.004 0.000 0.988 1181 F CB 1.578 40.577 39.000 -0.001 0.000 1.258 1181 F HN 0.264 nan 8.300 nan 0.000 0.471 1182 D N 2.268 122.778 120.400 0.182 0.000 2.163 1182 D HA 0.387 5.024 4.640 -0.004 0.000 0.248 1182 D C -0.397 175.982 176.300 0.131 0.000 1.035 1182 D CA -0.560 53.526 54.000 0.144 0.000 0.872 1182 D CB 1.603 42.476 40.800 0.122 0.000 1.183 1182 D HN 0.436 nan 8.370 nan 0.000 0.445 1183 R N 2.019 122.588 120.500 0.114 0.000 2.247 1183 R HA 0.286 4.624 4.340 -0.004 0.000 0.329 1183 R C -0.503 175.852 176.300 0.091 0.000 1.014 1183 R CA -0.735 55.418 56.100 0.088 0.000 0.907 1183 R CB 0.740 31.075 30.300 0.057 0.000 1.146 1183 R HN 0.200 nan 8.270 nan 0.000 0.499 1184 L N 4.790 126.082 121.223 0.115 0.000 2.326 1184 L HA 0.191 4.529 4.340 -0.004 0.000 0.278 1184 L C 1.063 177.973 176.870 0.068 0.000 1.092 1184 L CA 0.123 55.041 54.840 0.130 0.000 0.810 1184 L CB 1.322 43.527 42.059 0.243 0.000 1.153 1184 L HN 0.516 nan 8.230 nan 0.000 0.439 1185 V N 2.720 122.649 119.914 0.024 0.000 2.232 1185 V HA -0.037 4.081 4.120 -0.004 0.000 0.237 1185 V C 1.268 177.373 176.094 0.019 0.000 1.035 1185 V CA 0.856 63.156 62.300 0.000 0.000 0.988 1185 V CB -1.792 30.012 31.823 -0.030 0.000 0.636 1185 V HN 0.966 nan 8.190 nan 0.000 0.456 1186 A N 1.363 124.188 122.820 0.009 0.000 2.535 1186 A HA 0.553 4.871 4.320 -0.004 0.000 0.290 1186 A C 0.502 178.132 177.584 0.076 0.000 1.270 1186 A CA 0.767 52.819 52.037 0.025 0.000 0.937 1186 A CB -1.387 17.610 19.000 -0.004 0.000 1.096 1186 A HN 1.069 nan 8.150 nan 0.000 0.534 1187 G N 1.152 110.000 108.800 0.080 0.000 2.911 1187 G HA2 0.536 4.494 3.960 -0.004 0.000 0.299 1187 G HA3 0.536 4.494 3.960 -0.004 0.000 0.299 1187 G C -0.328 174.625 174.900 0.089 0.000 1.283 1187 G CA 0.090 45.258 45.100 0.114 0.000 0.805 1187 G HN 1.348 nan 8.290 nan 0.000 0.548 1188 Q N -0.350 119.506 119.800 0.092 0.000 2.426 1188 Q HA -0.202 4.135 4.340 -0.004 0.000 0.359 1188 Q C -0.392 175.623 176.000 0.025 0.000 1.381 1188 Q CA 0.870 56.713 55.803 0.066 0.000 1.060 1188 Q CB -1.995 26.803 28.738 0.100 0.000 1.253 1188 Q HN 0.435 nan 8.270 nan 0.000 0.363 1189 I N 0.086 120.636 120.570 -0.034 0.000 5.171 1189 I HA 0.390 4.557 4.170 -0.004 0.000 0.240 1189 I C -1.431 174.599 176.117 -0.145 0.000 0.879 1189 I CA -0.394 60.846 61.300 -0.099 0.000 2.192 1189 I CB -1.163 36.743 38.000 -0.155 0.000 1.482 1189 I HN 0.310 nan 8.210 nan 0.000 0.484 1190 P HA 0.305 nan 4.420 nan 0.000 0.318 1190 P C -0.323 176.803 177.300 -0.292 0.000 1.315 1190 P CA 1.449 64.423 63.100 -0.209 0.000 0.821 1190 P CB 2.379 34.002 31.700 -0.129 0.000 2.031 1191 T N -5.274 109.078 114.554 -0.336 0.000 5.615 1191 T HA 0.232 4.579 4.350 -0.004 0.000 0.178 1191 T C 0.535 174.263 174.700 -1.621 0.000 1.695 1191 T CA 0.695 62.344 62.100 -0.750 0.000 1.283 1191 T CB -2.509 65.969 68.868 -0.650 0.000 2.617 1191 T HN 1.178 nan 8.240 nan 0.000 0.220 1192 G N -0.300 107.280 108.800 -2.032 0.000 2.255 1192 G HA2 0.385 4.342 3.960 -0.004 0.000 0.216 1192 G HA3 0.385 4.342 3.960 -0.004 0.000 0.216 1192 G C 0.192 174.167 174.900 -1.542 0.000 1.307 1192 G CA 0.703 44.798 45.100 -1.674 0.000 1.162 1192 G HN 2.098 nan 8.290 nan 0.000 0.494 1193 W N -0.753 120.465 121.300 -0.136 0.000 2.466 1193 W HA -0.287 4.371 4.660 -0.004 0.000 0.298 1193 W C 1.046 177.539 176.519 -0.042 0.000 1.630 1193 W CA 2.027 59.329 57.345 -0.071 0.000 1.649 1193 W CB -1.814 27.632 29.460 -0.023 0.000 0.912 1193 W HN 1.840 nan 8.180 nan 0.000 0.481 1194 N N 0.910 119.797 118.700 0.311 0.000 4.018 1194 N HA 0.408 5.146 4.740 -0.004 0.000 0.254 1194 N C -0.693 174.745 175.510 -0.121 0.000 1.122 1194 N CA 1.382 54.474 53.050 0.070 0.000 0.830 1194 N CB -1.361 37.100 38.487 -0.042 0.000 1.319 1194 N HN 1.303 nan 8.380 nan 0.000 0.590 1195 A N -0.108 122.655 122.820 -0.096 0.000 2.613 1195 A HA 0.660 4.978 4.320 -0.004 0.000 0.303 1195 A C -1.601 175.812 177.584 -0.284 0.000 0.915 1195 A CA -0.597 51.294 52.037 -0.243 0.000 0.654 1195 A CB 0.851 19.659 19.000 -0.318 0.000 1.280 1195 A HN 0.209 nan 8.150 nan 0.000 0.407 1196 K N 0.002 120.194 120.400 -0.348 0.000 2.584 1196 K HA 0.626 4.943 4.320 -0.004 0.000 0.260 1196 K C -1.135 175.230 176.600 -0.392 0.000 0.949 1196 K CA 0.688 56.721 56.287 -0.423 0.000 0.888 1196 K CB 1.783 34.092 32.500 -0.319 0.000 1.330 1196 K HN 2.089 nan 8.250 nan 0.000 0.432 1197 T N 3.177 117.449 114.554 -0.470 0.000 3.807 1197 T HA 0.069 4.416 4.350 -0.004 0.000 0.177 1197 T C -0.581 173.950 174.700 -0.282 0.000 0.519 1197 T CA -0.375 61.544 62.100 -0.302 0.000 0.886 1197 T CB -0.812 67.927 68.868 -0.216 0.000 1.382 1197 T HN 0.477 nan 8.240 nan 0.000 0.511 1198 Y N 2.471 122.709 120.300 -0.103 0.000 2.232 1198 Y HA 0.351 4.898 4.550 -0.004 0.000 0.256 1198 Y C 2.375 178.338 175.900 0.105 0.000 1.061 1198 Y CA 2.105 60.223 58.100 0.029 0.000 1.059 1198 Y CB -0.068 38.464 38.460 0.120 0.000 1.011 1198 Y HN 0.675 nan 8.280 nan 0.000 0.472 1199 G N -0.927 108.086 108.800 0.356 0.000 4.331 1199 G HA2 0.331 4.288 3.960 -0.004 0.000 0.299 1199 G HA3 0.331 4.288 3.960 -0.004 0.000 0.299 1199 G C -0.618 174.520 174.900 0.396 0.000 1.158 1199 G CA -0.118 45.171 45.100 0.315 0.000 0.916 1199 G HN 0.121 nan 8.290 nan 0.000 0.553 1200 I N 0.689 121.366 120.570 0.179 0.000 2.720 1200 I HA 0.398 4.566 4.170 -0.004 0.000 0.287 1200 I C 0.689 176.884 176.117 0.130 0.000 1.090 1200 I CA -0.297 61.038 61.300 0.059 0.000 1.384 1200 I CB 1.711 39.578 38.000 -0.221 0.000 1.420 1200 I HN 0.001 nan 8.210 nan 0.000 0.575 1201 S N 5.468 121.280 115.700 0.186 0.000 2.414 1201 S HA 0.039 4.507 4.470 -0.004 0.000 0.290 1201 S C -0.158 174.440 174.600 -0.004 0.000 1.160 1201 S CA -0.566 57.701 58.200 0.112 0.000 1.069 1201 S CB -0.595 62.697 63.200 0.152 0.000 1.012 1201 S HN 0.653 nan 8.310 nan 0.000 0.510 1202 D N 4.613 125.005 120.400 -0.013 0.000 2.426 1202 D HA 0.007 4.644 4.640 -0.004 0.000 0.261 1202 D C 0.914 177.181 176.300 -0.056 0.000 1.245 1202 D CA 1.448 55.418 54.000 -0.049 0.000 0.917 1202 D CB 0.309 41.086 40.800 -0.037 0.000 1.123 1202 D HN 0.901 nan 8.370 nan 0.000 0.508 1203 D N 2.833 123.181 120.400 -0.088 0.000 1.693 1203 D HA -0.223 4.414 4.640 -0.004 0.000 0.249 1203 D C 1.161 177.380 176.300 -0.134 0.000 0.851 1203 D CA -0.230 53.715 54.000 -0.092 0.000 1.265 1203 D CB -1.360 39.406 40.800 -0.056 0.000 1.446 1203 D HN 0.400 nan 8.370 nan 0.000 0.757 1204 I N 2.802 123.286 120.570 -0.143 0.000 2.530 1204 I HA -0.059 4.109 4.170 -0.004 0.000 0.257 1204 I C 1.838 177.777 176.117 -0.295 0.000 1.179 1204 I CA 1.108 62.264 61.300 -0.239 0.000 1.440 1204 I CB -1.047 36.831 38.000 -0.203 0.000 1.087 1204 I HN 0.462 nan 8.210 nan 0.000 0.440 1205 I N -1.770 118.663 120.570 -0.228 0.000 2.320 1205 I HA 0.305 4.473 4.170 -0.004 0.000 0.283 1205 I C 0.905 176.904 176.117 -0.196 0.000 1.086 1205 I CA 0.104 61.261 61.300 -0.239 0.000 1.539 1205 I CB 0.220 38.093 38.000 -0.212 0.000 1.504 1205 I HN 0.021 nan 8.210 nan 0.000 0.661 1206 S N 1.198 116.777 115.700 -0.201 0.000 1.687 1206 S HA -0.024 4.444 4.470 -0.004 0.000 0.152 1206 S C 0.398 174.906 174.600 -0.153 0.000 0.619 1206 S CA -0.151 57.958 58.200 -0.152 0.000 1.520 1206 S CB -0.050 63.081 63.200 -0.115 0.000 0.855 1206 S HN 0.541 nan 8.310 nan 0.000 0.296 1207 Q N 1.558 121.240 119.800 -0.197 0.000 2.180 1207 Q HA 0.509 4.847 4.340 -0.004 0.000 0.241 1207 Q C 1.666 177.448 176.000 -0.363 0.000 0.970 1207 Q CA 0.833 56.510 55.803 -0.209 0.000 0.919 1207 Q CB 1.591 30.209 28.738 -0.199 0.000 1.222 1207 Q HN 1.172 nan 8.270 nan 0.000 0.482 1208 V N -1.592 118.070 119.914 -0.421 0.000 0.474 1208 V HA -0.505 3.612 4.120 -0.004 0.000 0.092 1208 V C 0.907 176.824 176.094 -0.296 0.000 2.443 1208 V CA 3.028 65.031 62.300 -0.496 0.000 3.665 1208 V CB -1.387 29.841 31.823 -0.992 0.000 0.947 1208 V HN 0.941 nan 8.190 nan 0.000 0.992 1209 D N 0.478 120.688 120.400 -0.317 0.000 4.595 1209 D HA -0.258 4.379 4.640 -0.004 0.000 0.264 1209 D C -0.153 175.969 176.300 -0.298 0.000 0.517 1209 D CA 3.542 57.379 54.000 -0.272 0.000 1.451 1209 D CB -2.792 37.894 40.800 -0.190 0.000 0.886 1209 D HN 0.729 nan 8.370 nan 0.000 0.361 1210 P HA -0.153 nan 4.420 nan 0.000 0.218 1210 P C 1.921 178.997 177.300 -0.373 0.000 1.073 1210 P CA 2.405 65.387 63.100 -0.196 0.000 0.944 1210 P CB -0.455 31.193 31.700 -0.087 0.000 0.572 1211 I N -3.121 117.327 120.570 -0.204 0.000 2.406 1211 I HA -0.108 4.060 4.170 -0.004 0.000 0.249 1211 I C 1.950 177.806 176.117 -0.436 0.000 1.122 1211 I CA 2.014 63.198 61.300 -0.194 0.000 1.431 1211 I CB -2.213 35.922 38.000 0.225 0.000 1.087 1211 I HN 0.053 nan 8.210 nan 0.000 0.424 1212 T N 1.284 115.648 114.554 -0.316 0.000 2.950 1212 T HA -0.191 4.157 4.350 -0.004 0.000 0.264 1212 T C 1.748 176.198 174.700 -0.417 0.000 1.133 1212 T CA 1.292 63.211 62.100 -0.302 0.000 1.127 1212 T CB -0.555 68.144 68.868 -0.282 0.000 0.792 1212 T HN 0.319 nan 8.240 nan 0.000 0.570 1213 L N -0.473 120.381 121.223 -0.615 0.000 2.051 1213 L HA 0.153 4.490 4.340 -0.004 0.000 0.202 1213 L C 2.376 178.943 176.870 -0.504 0.000 1.097 1213 L CA 1.434 55.885 54.840 -0.649 0.000 0.762 1213 L CB -1.043 40.515 42.059 -0.834 0.000 0.913 1213 L HN 0.212 nan 8.230 nan 0.000 0.447 1214 F N 0.972 120.797 119.950 -0.210 0.000 2.037 1214 F HA -0.299 4.226 4.527 -0.004 0.000 0.296 1214 F C 2.651 178.363 175.800 -0.146 0.000 1.132 1214 F CA 1.836 59.745 58.000 -0.152 0.000 1.211 1214 F CB -1.994 36.927 39.000 -0.131 0.000 0.951 1214 F HN 0.085 nan 8.300 nan 0.000 0.503 1215 V N -0.647 119.270 119.914 0.006 0.000 2.311 1215 V HA -0.358 3.760 4.120 -0.004 0.000 0.259 1215 V C 2.178 178.214 176.094 -0.096 0.000 1.086 1215 V CA 2.154 64.368 62.300 -0.144 0.000 1.078 1215 V CB -1.404 30.146 31.823 -0.454 0.000 0.668 1215 V HN 0.500 nan 8.190 nan 0.000 0.452 1216 L N -0.390 120.740 121.223 -0.154 0.000 1.948 1216 L HA -0.119 4.219 4.340 -0.004 0.000 0.212 1216 L C 2.736 179.529 176.870 -0.129 0.000 1.074 1216 L CA 2.164 56.906 54.840 -0.163 0.000 0.753 1216 L CB -0.806 41.024 42.059 -0.382 0.000 0.888 1216 L HN 0.298 nan 8.230 nan 0.000 0.432 1217 V N 0.294 120.113 119.914 -0.158 0.000 2.226 1217 V HA -0.409 3.709 4.120 -0.004 0.000 0.254 1217 V C 2.613 178.681 176.094 -0.045 0.000 1.065 1217 V CA 2.390 64.641 62.300 -0.082 0.000 1.039 1217 V CB -1.008 30.847 31.823 0.053 0.000 0.653 1217 V HN 0.505 nan 8.190 nan 0.000 0.450 1218 S N -0.313 115.393 115.700 0.010 0.000 2.380 1218 S HA -0.302 4.166 4.470 -0.004 0.000 0.229 1218 S C 1.968 176.559 174.600 -0.014 0.000 1.050 1218 S CA 1.948 60.170 58.200 0.036 0.000 1.100 1218 S CB -0.930 62.335 63.200 0.107 0.000 0.984 1218 S HN 0.484 nan 8.310 nan 0.000 0.434 1219 V N 2.004 121.883 119.914 -0.059 0.000 2.332 1219 V HA -0.160 3.958 4.120 -0.004 0.000 0.248 1219 V C 2.089 177.986 176.094 -0.329 0.000 1.055 1219 V CA 1.993 64.165 62.300 -0.213 0.000 1.038 1219 V CB -0.528 31.154 31.823 -0.234 0.000 0.651 1219 V HN 0.419 nan 8.190 nan 0.000 0.450 1220 V N -0.175 119.669 119.914 -0.116 0.000 2.270 1220 V HA -0.154 3.963 4.120 -0.004 0.000 0.245 1220 V C 2.691 178.831 176.094 0.077 0.000 1.043 1220 V CA 2.103 64.413 62.300 0.018 0.000 1.014 1220 V CB -0.947 30.997 31.823 0.203 0.000 0.645 1220 V HN 0.543 nan 8.190 nan 0.000 0.447 1221 E N 0.141 120.361 120.200 0.033 0.000 2.339 1221 E HA -0.233 4.115 4.350 -0.004 0.000 0.201 1221 E C 2.039 178.689 176.600 0.084 0.000 1.015 1221 E CA 1.429 57.859 56.400 0.049 0.000 0.841 1221 E CB -0.135 29.548 29.700 -0.028 0.000 0.754 1221 E HN 0.601 nan 8.360 nan 0.000 0.508 1222 A N -0.325 122.541 122.820 0.077 0.000 1.862 1222 A HA 0.037 4.355 4.320 -0.004 0.000 0.211 1222 A C 2.097 179.902 177.584 0.368 0.000 1.220 1222 A CA 0.398 52.538 52.037 0.172 0.000 0.616 1222 A CB -0.944 18.130 19.000 0.124 0.000 0.878 1222 A HN 0.286 nan 8.150 nan 0.000 0.453 1223 F N -0.646 119.395 119.950 0.151 0.000 2.307 1223 F HA -0.159 4.366 4.527 -0.004 0.000 0.301 1223 F C 1.914 177.816 175.800 0.169 0.000 1.076 1223 F CA 0.866 58.947 58.000 0.135 0.000 1.383 1223 F CB -0.013 39.049 39.000 0.103 0.000 1.055 1223 F HN 0.283 nan 8.300 nan 0.000 0.526 1224 I N -0.268 120.544 120.570 0.403 0.000 3.812 1224 I HA 0.096 4.264 4.170 -0.004 0.000 0.320 1224 I C 1.558 177.850 176.117 0.293 0.000 1.276 1224 I CA 0.373 61.902 61.300 0.381 0.000 1.164 1224 I CB -0.346 37.919 38.000 0.441 0.000 1.009 1224 I HN -0.027 nan 8.210 nan 0.000 0.431 1225 A N -0.369 122.629 122.820 0.298 0.000 1.938 1225 A HA 0.061 4.379 4.320 -0.004 0.000 0.207 1225 A C 2.013 179.842 177.584 0.409 0.000 1.292 1225 A CA 0.750 52.975 52.037 0.314 0.000 0.700 1225 A CB -0.726 18.454 19.000 0.300 0.000 0.947 1225 A HN 0.424 nan 8.150 nan 0.000 0.476 1226 S N 0.774 116.705 115.700 0.386 0.000 2.840 1226 S HA 0.341 4.809 4.470 -0.004 0.000 0.235 1226 S C 1.058 175.758 174.600 0.166 0.000 0.968 1226 S CA 0.589 58.958 58.200 0.282 0.000 1.026 1226 S CB -1.571 61.771 63.200 0.236 0.000 0.788 1226 S HN 1.694 nan 8.310 nan 0.000 0.487 1227 G N 2.591 111.512 108.800 0.201 0.000 2.246 1227 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.227 1227 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.227 1227 G C 0.034 174.983 174.900 0.081 0.000 0.404 1227 G CA 0.817 46.014 45.100 0.161 0.000 1.034 1227 G HN 1.484 nan 8.290 nan 0.000 0.425 1228 I N -0.157 120.455 120.570 0.071 0.000 2.926 1228 I HA 0.408 4.575 4.170 -0.004 0.000 0.295 1228 I C 0.322 176.397 176.117 -0.070 0.000 1.463 1228 I CA -0.650 60.618 61.300 -0.053 0.000 0.892 1228 I CB 1.057 38.947 38.000 -0.184 0.000 1.874 1228 I HN 0.184 nan 8.210 nan 0.000 0.620 1229 T N 2.789 117.250 114.554 -0.156 0.000 2.750 1229 T HA -0.007 4.341 4.350 -0.004 0.000 0.277 1229 T C 0.324 174.864 174.700 -0.268 0.000 0.996 1229 T CA 1.682 63.504 62.100 -0.462 0.000 1.195 1229 T CB -0.486 67.844 68.868 -0.898 0.000 0.963 1229 T HN 0.981 nan 8.240 nan 0.000 0.516 1230 D N 4.964 125.278 120.400 -0.143 0.000 3.975 1230 D HA -0.090 4.548 4.640 -0.004 0.000 0.251 1230 D C -1.337 174.995 176.300 0.053 0.000 1.046 1230 D CA 0.236 54.251 54.000 0.026 0.000 1.135 1230 D CB 0.009 40.830 40.800 0.035 0.000 0.911 1230 D HN 0.408 nan 8.370 nan 0.000 0.415 1231 P HA -0.257 nan 4.420 nan 0.000 0.220 1231 P C 1.114 178.372 177.300 -0.070 0.000 1.142 1231 P CA 1.275 64.329 63.100 -0.076 0.000 0.801 1231 P CB -0.139 31.670 31.700 0.180 0.000 0.764 1232 Y N 0.719 121.072 120.300 0.088 0.000 2.333 1232 Y HA -0.112 4.436 4.550 -0.004 0.000 0.290 1232 Y C 2.346 178.309 175.900 0.106 0.000 1.144 1232 Y CA 1.061 59.304 58.100 0.239 0.000 1.228 1232 Y CB -1.020 37.526 38.460 0.143 0.000 0.985 1232 Y HN 0.065 nan 8.280 nan 0.000 0.542 1233 E N 0.068 120.309 120.200 0.069 0.000 2.453 1233 E HA -0.171 4.176 4.350 -0.004 0.000 0.207 1233 E C 1.322 177.732 176.600 -0.316 0.000 1.212 1233 E CA 0.196 56.539 56.400 -0.095 0.000 0.959 1233 E CB -0.360 29.249 29.700 -0.153 0.000 0.957 1233 E HN 0.548 nan 8.360 nan 0.000 0.540 1234 M N -1.260 118.118 119.600 -0.370 0.000 2.567 1234 M HA 0.014 4.492 4.480 -0.004 0.000 0.261 1234 M C 0.753 176.828 176.300 -0.375 0.000 1.180 1234 M CA 0.260 55.221 55.300 -0.564 0.000 1.143 1234 M CB 0.326 32.452 32.600 -0.790 0.000 1.319 1234 M HN 0.209 nan 8.290 nan 0.000 0.490 1235 Y N 0.891 121.223 120.300 0.053 0.000 2.561 1235 Y HA -0.071 4.477 4.550 -0.004 0.000 0.291 1235 Y C 1.824 177.748 175.900 0.041 0.000 1.141 1235 Y CA 0.682 58.825 58.100 0.072 0.000 1.303 1235 Y CB -0.631 37.839 38.460 0.017 0.000 1.015 1235 Y HN 0.208 nan 8.280 nan 0.000 0.547 1236 K N -1.083 119.384 120.400 0.111 0.000 2.708 1236 K HA 0.048 4.366 4.320 -0.004 0.000 0.219 1236 K C -0.868 175.921 176.600 0.315 0.000 1.068 1236 K CA 0.223 56.591 56.287 0.134 0.000 1.212 1236 K CB -0.267 32.296 32.500 0.105 0.000 0.978 1236 K HN 0.136 nan 8.250 nan 0.000 0.475 1237 Y N 0.586 120.815 120.300 -0.119 0.000 2.750 1237 Y HA 0.097 4.645 4.550 -0.004 0.000 0.247 1237 Y C -0.655 174.831 175.900 -0.689 0.000 1.098 1237 Y CA -1.446 56.528 58.100 -0.210 0.000 1.120 1237 Y CB 0.747 39.227 38.460 0.033 0.000 1.210 1237 Y HN 0.175 nan 8.280 nan 0.000 0.601 1238 V N -0.157 119.551 119.914 -0.344 0.000 5.842 1238 V HA -0.257 3.861 4.120 -0.004 0.000 0.251 1238 V C -1.488 174.195 176.094 -0.684 0.000 0.667 1238 V CA 1.018 63.081 62.300 -0.395 0.000 0.844 1238 V CB -1.928 29.732 31.823 -0.272 0.000 0.924 1238 V HN 0.554 nan 8.190 nan 0.000 0.443 1239 H N 2.738 121.835 119.070 0.044 0.000 3.172 1239 H HA 0.417 4.970 4.556 -0.004 0.000 0.322 1239 H C 0.321 175.718 175.328 0.114 0.000 1.003 1239 H CA -0.218 55.853 56.048 0.038 0.000 1.466 1239 H CB 1.929 31.652 29.762 -0.064 0.000 1.673 1239 H HN 0.568 nan 8.280 nan 0.000 0.512 1240 V N 3.294 123.312 119.914 0.173 0.000 3.431 1240 V HA -0.122 3.995 4.120 -0.004 0.000 0.303 1240 V C 0.480 176.676 176.094 0.170 0.000 1.179 1240 V CA 1.464 63.836 62.300 0.121 0.000 1.284 1240 V CB -1.524 30.350 31.823 0.085 0.000 1.036 1240 V HN 0.954 nan 8.190 nan 0.000 0.425 1241 S N -0.266 115.607 115.700 0.289 0.000 2.749 1241 S HA -0.337 4.130 4.470 -0.004 0.000 0.265 1241 S C 1.017 175.738 174.600 0.202 0.000 1.307 1241 S CA 1.678 60.079 58.200 0.335 0.000 1.452 1241 S CB -1.218 62.138 63.200 0.260 0.000 1.834 1241 S HN 0.926 nan 8.310 nan 0.000 0.691 1242 E N 1.241 121.542 120.200 0.168 0.000 2.888 1242 E HA 0.211 4.558 4.350 -0.004 0.000 0.271 1242 E C -0.438 176.215 176.600 0.088 0.000 1.527 1242 E CA 0.417 56.893 56.400 0.127 0.000 1.700 1242 E CB -0.370 29.398 29.700 0.114 0.000 1.410 1242 E HN 0.501 nan 8.360 nan 0.000 0.445 1243 V N -1.669 118.283 119.914 0.065 0.000 3.063 1243 V HA 0.581 4.699 4.120 -0.004 0.000 0.249 1243 V C 0.112 176.171 176.094 -0.059 0.000 0.908 1243 V CA -0.339 61.952 62.300 -0.015 0.000 0.966 1243 V CB 0.593 32.370 31.823 -0.077 0.000 1.015 1243 V HN 0.221 nan 8.190 nan 0.000 0.512 1244 G N 1.998 110.796 108.800 -0.003 0.000 3.403 1244 G HA2 0.187 4.144 3.960 -0.004 0.000 0.156 1244 G HA3 0.187 4.144 3.960 -0.004 0.000 0.156 1244 G C -0.197 174.737 174.900 0.056 0.000 1.210 1244 G CA -0.177 44.929 45.100 0.011 0.000 1.452 1244 G HN 0.580 nan 8.290 nan 0.000 0.720 1245 N N 1.866 120.617 118.700 0.085 0.000 1.722 1245 N HA -0.131 4.607 4.740 -0.004 0.000 0.342 1245 N C 1.711 177.275 175.510 0.091 0.000 1.252 1245 N CA 0.932 54.041 53.050 0.097 0.000 0.780 1245 N CB 0.024 38.565 38.487 0.091 0.000 0.999 1245 N HN 0.836 nan 8.380 nan 0.000 0.513 1246 C N 2.572 121.938 119.300 0.111 0.000 2.914 1246 C HA 0.011 4.469 4.460 -0.004 0.000 0.205 1246 C C 1.344 176.389 174.990 0.093 0.000 1.794 1246 C CA 0.038 59.122 59.018 0.111 0.000 1.405 1246 C CB -0.737 27.089 27.740 0.143 0.000 1.785 1246 C HN 0.709 nan 8.230 nan 0.000 0.534 1247 S N -0.872 114.886 115.700 0.096 0.000 2.865 1247 S HA 0.341 4.808 4.470 -0.004 0.000 0.229 1247 S C 0.386 175.021 174.600 0.057 0.000 0.759 1247 S CA 0.110 58.353 58.200 0.072 0.000 1.142 1247 S CB -0.530 62.699 63.200 0.048 0.000 1.380 1247 S HN 1.389 nan 8.310 nan 0.000 0.525 1248 G N 2.334 111.198 108.800 0.107 0.000 2.785 1248 G HA2 0.460 4.418 3.960 -0.004 0.000 0.256 1248 G HA3 0.460 4.418 3.960 -0.004 0.000 0.256 1248 G C 0.373 175.202 174.900 -0.119 0.000 1.248 1248 G CA 0.837 45.915 45.100 -0.036 0.000 0.914 1248 G HN 1.104 nan 8.290 nan 0.000 0.580 1249 S N -2.285 113.113 115.700 -0.503 0.000 3.382 1249 S HA 0.700 5.168 4.470 -0.004 0.000 0.290 1249 S C 0.273 174.782 174.600 -0.151 0.000 1.223 1249 S CA 0.496 58.602 58.200 -0.157 0.000 1.487 1249 S CB 0.363 63.532 63.200 -0.052 0.000 1.515 1249 S HN 2.757 nan 8.310 nan 0.000 0.379 1250 G N 1.081 109.869 108.800 -0.021 0.000 2.352 1250 G HA2 0.170 4.127 3.960 -0.004 0.000 0.324 1250 G HA3 0.170 4.127 3.960 -0.004 0.000 0.324 1250 G C 0.300 175.262 174.900 0.103 0.000 1.249 1250 G CA 0.294 45.421 45.100 0.044 0.000 1.053 1250 G HN 1.673 nan 8.290 nan 0.000 0.492 1251 M N 0.736 120.414 119.600 0.129 0.000 2.414 1251 M HA 0.367 4.845 4.480 -0.004 0.000 0.251 1251 M C 1.525 177.890 176.300 0.109 0.000 1.116 1251 M CA 1.458 56.833 55.300 0.125 0.000 1.056 1251 M CB -0.271 32.422 32.600 0.154 0.000 1.388 1251 M HN 1.342 nan 8.290 nan 0.000 0.487 1252 G N 0.687 109.565 108.800 0.131 0.000 2.492 1252 G HA2 0.275 4.232 3.960 -0.004 0.000 0.353 1252 G HA3 0.275 4.232 3.960 -0.004 0.000 0.353 1252 G C 0.746 175.702 174.900 0.093 0.000 1.297 1252 G CA 0.567 45.742 45.100 0.126 0.000 1.192 1252 G HN 0.801 nan 8.290 nan 0.000 0.677 1253 G N -2.067 106.781 108.800 0.081 0.000 3.626 1253 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.241 1253 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.241 1253 G C 1.310 176.198 174.900 -0.019 0.000 1.824 1253 G CA 1.214 46.336 45.100 0.038 0.000 1.511 1253 G HN 2.113 nan 8.290 nan 0.000 0.600 1254 V N 0.930 120.807 119.914 -0.062 0.000 2.329 1254 V HA -0.246 3.871 4.120 -0.004 0.000 0.168 1254 V C 2.329 178.362 176.094 -0.102 0.000 0.806 1254 V CA 4.792 67.023 62.300 -0.115 0.000 0.968 1254 V CB -0.979 30.774 31.823 -0.117 0.000 0.709 1254 V HN 2.879 nan 8.190 nan 0.000 0.547 1255 S N -2.497 113.140 115.700 -0.105 0.000 2.852 1255 S HA -0.359 4.109 4.470 -0.004 0.000 0.286 1255 S C 0.844 175.381 174.600 -0.105 0.000 1.324 1255 S CA 2.677 60.819 58.200 -0.097 0.000 1.274 1255 S CB -1.351 61.811 63.200 -0.063 0.000 1.561 1255 S HN 2.498 nan 8.310 nan 0.000 0.735 1256 A N -1.402 121.349 122.820 -0.115 0.000 2.442 1256 A HA 0.408 4.725 4.320 -0.004 0.000 0.158 1256 A C 1.141 178.648 177.584 -0.128 0.000 1.759 1256 A CA 0.626 52.600 52.037 -0.105 0.000 1.304 1256 A CB -0.599 18.349 19.000 -0.087 0.000 1.570 1256 A HN 0.657 nan 8.150 nan 0.000 0.440 1257 L N 0.719 121.843 121.223 -0.167 0.000 2.127 1257 L HA -0.157 4.180 4.340 -0.004 0.000 0.211 1257 L C 2.438 179.104 176.870 -0.340 0.000 1.089 1257 L CA 2.399 57.090 54.840 -0.248 0.000 0.757 1257 L CB -0.328 41.566 42.059 -0.276 0.000 0.899 1257 L HN 0.612 nan 8.230 nan 0.000 0.434 1258 R N 0.072 120.406 120.500 -0.276 0.000 2.103 1258 R HA -0.193 4.145 4.340 -0.004 0.000 0.242 1258 R C 2.158 178.368 176.300 -0.149 0.000 1.142 1258 R CA 1.825 57.774 56.100 -0.251 0.000 0.960 1258 R CB -0.882 29.315 30.300 -0.171 0.000 0.858 1258 R HN 0.480 nan 8.270 nan 0.000 0.439 1259 G N 0.924 109.664 108.800 -0.101 0.000 2.469 1259 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.220 1259 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.220 1259 G C 1.504 176.423 174.900 0.033 0.000 1.136 1259 G CA 1.029 46.110 45.100 -0.032 0.000 0.759 1259 G HN 0.282 nan 8.290 nan 0.000 0.562 1260 M N -0.681 118.928 119.600 0.016 0.000 2.106 1260 M HA -0.044 4.434 4.480 -0.004 0.000 0.259 1260 M C 2.229 178.843 176.300 0.524 0.000 1.068 1260 M CA 1.605 57.032 55.300 0.211 0.000 1.100 1260 M CB -0.374 32.335 32.600 0.182 0.000 1.351 1260 M HN 0.451 nan 8.290 nan 0.000 0.404 1261 F N -1.288 118.645 119.950 -0.029 0.000 2.485 1261 F HA 0.041 4.565 4.527 -0.004 0.000 0.274 1261 F C 2.061 177.887 175.800 0.044 0.000 0.963 1261 F CA -0.252 57.733 58.000 -0.025 0.000 1.169 1261 F CB -0.372 38.590 39.000 -0.063 0.000 1.145 1261 F HN -0.184 nan 8.300 nan 0.000 0.682 1262 K N 0.350 120.890 120.400 0.233 0.000 2.555 1262 K HA -0.051 4.266 4.320 -0.004 0.000 0.193 1262 K C -0.972 175.686 176.600 0.096 0.000 1.032 1262 K CA 0.702 57.084 56.287 0.159 0.000 1.004 1262 K CB -0.296 32.237 32.500 0.056 0.000 0.804 1262 K HN 0.252 nan 8.250 nan 0.000 0.496 1263 D N 0.613 121.066 120.400 0.089 0.000 2.412 1263 D HA 0.280 4.917 4.640 -0.004 0.000 0.276 1263 D C -0.745 175.595 176.300 0.066 0.000 1.196 1263 D CA -0.309 53.715 54.000 0.041 0.000 0.905 1263 D CB 0.781 41.584 40.800 0.004 0.000 1.081 1263 D HN -0.012 nan 8.370 nan 0.000 0.502 1264 R N 1.202 121.749 120.500 0.078 0.000 3.942 1264 R HA -0.007 4.331 4.340 -0.004 0.000 0.239 1264 R C -1.142 175.253 176.300 0.160 0.000 0.867 1264 R CA -0.759 55.392 56.100 0.086 0.000 0.758 1264 R CB -0.505 29.857 30.300 0.102 0.000 1.417 1264 R HN 0.168 nan 8.270 nan 0.000 0.487 1265 F N 0.794 120.733 119.950 -0.018 0.000 3.105 1265 F HA -0.290 4.235 4.527 -0.004 0.000 0.280 1265 F C 0.234 176.022 175.800 -0.021 0.000 0.894 1265 F CA 2.490 60.474 58.000 -0.025 0.000 0.992 1265 F CB -0.657 38.327 39.000 -0.026 0.000 1.047 1265 F HN 0.590 nan 8.300 nan 0.000 0.607 1266 K N -0.017 120.288 120.400 -0.158 0.000 2.434 1266 K HA 0.030 4.348 4.320 -0.004 0.000 0.170 1266 K C 0.278 176.827 176.600 -0.086 0.000 1.738 1266 K CA 0.403 56.582 56.287 -0.179 0.000 1.027 1266 K CB -0.179 32.255 32.500 -0.111 0.000 1.595 1266 K HN 0.120 nan 8.250 nan 0.000 0.546 1267 D N 2.388 122.759 120.400 -0.047 0.000 2.859 1267 D HA -0.209 4.429 4.640 -0.004 0.000 0.214 1267 D C -0.139 176.152 176.300 -0.016 0.000 1.250 1267 D CA 1.330 55.319 54.000 -0.018 0.000 0.635 1267 D CB -0.319 40.470 40.800 -0.018 0.000 0.961 1267 D HN 0.446 nan 8.370 nan 0.000 0.395 1268 E N 0.217 120.408 120.200 -0.014 0.000 4.367 1268 E HA 0.495 4.843 4.350 -0.004 0.000 0.345 1268 E C -1.942 174.654 176.600 -0.008 0.000 1.312 1268 E CA -1.041 55.349 56.400 -0.016 0.000 2.005 1268 E CB 0.315 30.001 29.700 -0.023 0.000 1.642 1268 E HN 0.270 nan 8.360 nan 0.000 0.783 1269 P HA 0.322 nan 4.420 nan 0.000 0.307 1269 P C -1.415 175.879 177.300 -0.009 0.000 1.450 1269 P CA -0.377 62.718 63.100 -0.008 0.000 1.026 1269 P CB 1.312 33.005 31.700 -0.011 0.000 1.040 1270 V N 3.881 123.794 119.914 -0.002 0.000 2.668 1270 V HA 0.172 4.289 4.120 -0.004 0.000 0.304 1270 V C 0.335 176.432 176.094 0.004 0.000 1.071 1270 V CA -0.846 61.452 62.300 -0.003 0.000 0.894 1270 V CB 2.091 33.915 31.823 0.001 0.000 1.008 1270 V HN 0.612 nan 8.190 nan 0.000 0.425 1271 Q N 3.205 123.006 119.800 0.001 0.000 2.520 1271 Q HA -0.131 4.206 4.340 -0.004 0.000 0.320 1271 Q C 0.888 176.903 176.000 0.024 0.000 1.104 1271 Q CA 0.761 56.571 55.803 0.011 0.000 1.062 1271 Q CB -0.318 28.425 28.738 0.009 0.000 1.005 1271 Q HN 0.835 nan 8.270 nan 0.000 0.390 1272 N N 3.135 121.852 118.700 0.027 0.000 2.106 1272 N HA -0.333 4.405 4.740 -0.004 0.000 0.200 1272 N C -0.049 175.489 175.510 0.047 0.000 1.014 1272 N CA 2.112 55.182 53.050 0.033 0.000 0.891 1272 N CB -0.444 38.062 38.487 0.032 0.000 1.069 1272 N HN 0.886 nan 8.380 nan 0.000 0.490 1273 D N -0.513 119.921 120.400 0.057 0.000 2.338 1273 D HA 0.203 4.840 4.640 -0.004 0.000 0.255 1273 D C 0.500 176.851 176.300 0.084 0.000 1.237 1273 D CA -0.288 53.761 54.000 0.082 0.000 0.883 1273 D CB 0.638 41.496 40.800 0.096 0.000 1.087 1273 D HN 0.303 nan 8.370 nan 0.000 0.485 1274 I N 3.051 123.672 120.570 0.085 0.000 5.393 1274 I HA -0.093 4.074 4.170 -0.004 0.000 0.340 1274 I C 1.134 177.277 176.117 0.043 0.000 1.117 1274 I CA -0.158 61.178 61.300 0.061 0.000 1.603 1274 I CB -0.476 37.539 38.000 0.026 0.000 1.948 1274 I HN 0.513 nan 8.210 nan 0.000 0.653 1275 L N 2.276 123.519 121.223 0.034 0.000 2.351 1275 L HA -0.232 4.105 4.340 -0.004 0.000 0.220 1275 L C 1.925 178.757 176.870 -0.064 0.000 1.127 1275 L CA 2.010 56.824 54.840 -0.043 0.000 0.786 1275 L CB -0.745 41.319 42.059 0.008 0.000 0.914 1275 L HN 0.528 nan 8.230 nan 0.000 0.443 1276 Q N 0.332 120.230 119.800 0.162 0.000 1.956 1276 Q HA -0.277 4.060 4.340 -0.004 0.000 0.208 1276 Q C 1.497 177.696 176.000 0.332 0.000 0.998 1276 Q CA 2.526 58.547 55.803 0.364 0.000 0.855 1276 Q CB -0.027 28.886 28.738 0.291 0.000 0.928 1276 Q HN 0.403 nan 8.270 nan 0.000 0.418 1277 E N 0.080 120.413 120.200 0.221 0.000 2.533 1277 E HA -0.085 4.262 4.350 -0.004 0.000 0.203 1277 E C 1.430 178.050 176.600 0.033 0.000 1.101 1277 E CA 0.448 56.959 56.400 0.185 0.000 0.894 1277 E CB -0.174 29.593 29.700 0.112 0.000 0.843 1277 E HN 0.257 nan 8.360 nan 0.000 0.552 1278 S N -0.058 115.553 115.700 -0.149 0.000 2.344 1278 S HA -0.131 4.337 4.470 -0.004 0.000 0.217 1278 S C 0.378 174.880 174.600 -0.164 0.000 1.033 1278 S CA 0.239 58.267 58.200 -0.288 0.000 1.017 1278 S CB -0.267 62.575 63.200 -0.597 0.000 0.941 1278 S HN 0.236 nan 8.310 nan 0.000 0.430 1279 F N 3.222 123.211 119.950 0.065 0.000 2.433 1279 F HA -0.008 4.517 4.527 -0.004 0.000 0.398 1279 F C 1.332 177.189 175.800 0.094 0.000 1.002 1279 F CA -0.475 57.566 58.000 0.069 0.000 1.053 1279 F CB -0.799 38.232 39.000 0.051 0.000 0.928 1279 F HN 0.152 nan 8.300 nan 0.000 0.529 1280 I N 1.679 122.409 120.570 0.267 0.000 2.091 1280 I HA -0.401 3.766 4.170 -0.004 0.000 0.240 1280 I C 2.031 178.306 176.117 0.264 0.000 1.046 1280 I CA 2.040 63.488 61.300 0.248 0.000 1.306 1280 I CB -1.598 36.524 38.000 0.204 0.000 1.018 1280 I HN 0.639 nan 8.210 nan 0.000 0.404 1281 N N -0.288 118.546 118.700 0.223 0.000 2.635 1281 N HA -0.138 4.600 4.740 -0.004 0.000 0.191 1281 N C 1.286 176.876 175.510 0.133 0.000 1.155 1281 N CA 1.329 54.476 53.050 0.161 0.000 0.927 1281 N CB -0.838 37.703 38.487 0.089 0.000 0.976 1281 N HN 0.440 nan 8.380 nan 0.000 0.448 1282 T N -0.193 114.478 114.554 0.194 0.000 2.985 1282 T HA 0.068 4.416 4.350 -0.004 0.000 0.266 1282 T C 1.407 176.240 174.700 0.223 0.000 1.076 1282 T CA 0.561 62.767 62.100 0.177 0.000 1.135 1282 T CB -0.092 68.962 68.868 0.310 0.000 0.890 1282 T HN 0.131 nan 8.240 nan 0.000 0.480 1283 M N 1.380 121.093 119.600 0.188 0.000 2.091 1283 M HA -0.033 4.445 4.480 -0.004 0.000 0.259 1283 M C 2.590 178.955 176.300 0.109 0.000 1.076 1283 M CA 1.488 56.833 55.300 0.074 0.000 1.111 1283 M CB -1.270 31.212 32.600 -0.197 0.000 1.291 1283 M HN 0.061 nan 8.290 nan 0.000 0.417 1284 S N 0.564 116.351 115.700 0.145 0.000 2.381 1284 S HA -0.265 4.203 4.470 -0.004 0.000 0.230 1284 S C 2.059 176.718 174.600 0.098 0.000 1.052 1284 S CA 1.666 59.953 58.200 0.145 0.000 1.068 1284 S CB -0.974 62.325 63.200 0.166 0.000 0.918 1284 S HN 0.601 nan 8.310 nan 0.000 0.448 1285 A N 1.180 124.034 122.820 0.057 0.000 1.903 1285 A HA -0.197 4.121 4.320 -0.004 0.000 0.219 1285 A C 1.950 179.490 177.584 -0.072 0.000 1.191 1285 A CA 1.637 53.644 52.037 -0.050 0.000 0.638 1285 A CB -0.913 17.994 19.000 -0.155 0.000 0.823 1285 A HN 0.688 nan 8.150 nan 0.000 0.451 1286 W N 0.034 121.347 121.300 0.022 0.000 2.407 1286 W HA -0.077 4.580 4.660 -0.004 0.000 0.305 1286 W C 2.258 178.799 176.519 0.038 0.000 1.196 1286 W CA 1.320 58.679 57.345 0.024 0.000 1.311 1286 W CB -0.848 28.614 29.460 0.002 0.000 1.135 1286 W HN 0.194 nan 8.180 nan 0.000 0.514 1287 V N 0.954 121.014 119.914 0.244 0.000 2.495 1287 V HA -0.386 3.732 4.120 -0.004 0.000 0.260 1287 V C 2.062 178.241 176.094 0.141 0.000 1.097 1287 V CA 2.214 64.609 62.300 0.158 0.000 1.105 1287 V CB -0.960 30.922 31.823 0.097 0.000 0.678 1287 V HN 0.317 nan 8.190 nan 0.000 0.469 1288 N N -0.019 118.754 118.700 0.121 0.000 2.244 1288 N HA -0.060 4.677 4.740 -0.004 0.000 0.189 1288 N C 1.945 177.515 175.510 0.100 0.000 1.047 1288 N CA 1.296 54.404 53.050 0.097 0.000 0.870 1288 N CB -0.027 38.502 38.487 0.069 0.000 1.041 1288 N HN 0.455 nan 8.380 nan 0.000 0.448 1289 M N 0.567 120.213 119.600 0.075 0.000 2.514 1289 M HA -0.084 4.393 4.480 -0.004 0.000 0.259 1289 M C -0.431 175.963 176.300 0.157 0.000 1.073 1289 M CA 1.048 56.401 55.300 0.088 0.000 1.049 1289 M CB -0.535 32.074 32.600 0.015 0.000 1.392 1289 M HN 0.003 nan 8.290 nan 0.000 0.466 1290 L N 1.201 122.540 121.223 0.193 0.000 2.385 1290 L HA 0.601 4.938 4.340 -0.004 0.000 0.273 1290 L C -0.158 176.781 176.870 0.115 0.000 0.990 1290 L CA -0.657 54.291 54.840 0.180 0.000 0.821 1290 L CB 1.465 43.710 42.059 0.309 0.000 1.279 1290 L HN 0.127 nan 8.230 nan 0.000 0.412 1291 L N 1.774 123.013 121.223 0.027 0.000 7.836 1291 L HA -0.263 4.074 4.340 -0.004 0.000 0.064 1291 L C 0.636 177.469 176.870 -0.062 0.000 1.275 1291 L CA 0.951 55.785 54.840 -0.010 0.000 1.424 1291 L CB -1.293 40.809 42.059 0.071 0.000 2.916 1291 L HN 0.791 nan 8.230 nan 0.000 1.197 1292 I N 0.823 121.409 120.570 0.027 0.000 3.392 1292 I HA -0.202 3.966 4.170 -0.004 0.000 0.280 1292 I C 1.346 177.483 176.117 0.033 0.000 1.113 1292 I CA 1.371 62.711 61.300 0.068 0.000 2.054 1292 I CB 0.130 38.315 38.000 0.308 0.000 1.141 1292 I HN 0.664 nan 8.210 nan 0.000 0.410 1293 S N 4.581 120.246 115.700 -0.058 0.000 2.701 1293 S HA -0.005 4.463 4.470 -0.004 0.000 0.220 1293 S C 0.929 175.619 174.600 0.149 0.000 0.954 1293 S CA 0.244 58.471 58.200 0.046 0.000 0.936 1293 S CB -0.326 62.898 63.200 0.040 0.000 0.777 1293 S HN 0.854 nan 8.310 nan 0.000 0.518 1294 S N 1.694 117.524 115.700 0.217 0.000 3.361 1294 S HA -0.026 4.441 4.470 -0.004 0.000 0.396 1294 S C 0.815 175.535 174.600 0.200 0.000 1.165 1294 S CA 0.008 58.359 58.200 0.253 0.000 1.192 1294 S CB -0.156 63.145 63.200 0.169 0.000 0.843 1294 S HN 0.507 nan 8.310 nan 0.000 0.528 1295 S N 4.484 120.324 115.700 0.234 0.000 2.840 1295 S HA 0.174 4.642 4.470 -0.004 0.000 0.235 1295 S C 1.321 176.035 174.600 0.189 0.000 0.968 1295 S CA -0.066 58.285 58.200 0.253 0.000 1.026 1295 S CB -0.334 63.107 63.200 0.402 0.000 0.788 1295 S HN 0.849 nan 8.310 nan 0.000 0.487 1296 G N 3.027 111.916 108.800 0.149 0.000 2.441 1296 G HA2 0.292 4.250 3.960 -0.004 0.000 0.258 1296 G HA3 0.292 4.250 3.960 -0.004 0.000 0.258 1296 G C -2.465 172.483 174.900 0.080 0.000 1.487 1296 G CA -0.567 44.596 45.100 0.105 0.000 1.058 1296 G HN 0.310 nan 8.290 nan 0.000 0.552 1297 P HA 0.589 nan 4.420 nan 0.000 0.294 1297 P C -1.298 176.030 177.300 0.047 0.000 1.325 1297 P CA -0.570 62.557 63.100 0.046 0.000 0.978 1297 P CB 2.703 34.425 31.700 0.038 0.000 1.288 1298 I N 1.378 121.972 120.570 0.039 0.000 2.619 1298 I HA 0.336 4.503 4.170 -0.004 0.000 0.292 1298 I C 0.178 176.317 176.117 0.038 0.000 1.100 1298 I CA -0.838 60.489 61.300 0.045 0.000 1.043 1298 I CB 2.276 40.303 38.000 0.045 0.000 1.239 1298 I HN 0.160 nan 8.210 nan 0.000 0.420 1299 K N 2.833 123.260 120.400 0.044 0.000 2.323 1299 K HA 0.385 4.703 4.320 -0.004 0.000 0.232 1299 K C -0.394 176.235 176.600 0.047 0.000 1.068 1299 K CA 0.617 56.928 56.287 0.038 0.000 0.892 1299 K CB -0.315 32.205 32.500 0.034 0.000 1.207 1299 K HN 0.744 nan 8.250 nan 0.000 0.456 1300 T N 2.772 117.359 114.554 0.055 0.000 1.451 1300 T HA -0.069 4.278 4.350 -0.004 0.000 0.669 1300 T C -2.431 172.299 174.700 0.051 0.000 0.957 1300 T CA 0.086 62.225 62.100 0.065 0.000 3.547 1300 T CB -0.256 68.669 68.868 0.094 0.000 2.038 1300 T HN 0.184 nan 8.240 nan 0.000 0.411 1301 P HA 0.748 nan 4.420 nan 0.000 0.346 1301 P C 0.504 177.824 177.300 0.034 0.000 1.303 1301 P CA 0.424 63.541 63.100 0.028 0.000 0.801 1301 P CB 0.885 32.593 31.700 0.013 0.000 1.827 1302 V N -6.240 113.691 119.914 0.029 0.000 5.812 1302 V HA 0.569 4.686 4.120 -0.004 0.000 0.082 1302 V C 1.331 177.448 176.094 0.039 0.000 0.847 1302 V CA 0.372 62.698 62.300 0.044 0.000 1.309 1302 V CB -1.498 30.360 31.823 0.058 0.000 2.393 1302 V HN 0.654 nan 8.190 nan 0.000 0.406 1303 G N 1.866 110.696 108.800 0.050 0.000 2.416 1303 G HA2 -0.001 3.957 3.960 -0.004 0.000 0.301 1303 G HA3 -0.001 3.957 3.960 -0.004 0.000 0.301 1303 G C 0.581 175.516 174.900 0.059 0.000 0.985 1303 G CA 0.859 45.987 45.100 0.047 0.000 0.934 1303 G HN 1.977 nan 8.290 nan 0.000 0.513 1304 A N -1.910 120.975 122.820 0.109 0.000 2.645 1304 A HA 0.367 4.685 4.320 -0.004 0.000 0.233 1304 A C 2.017 179.693 177.584 0.153 0.000 1.100 1304 A CA 1.312 53.438 52.037 0.149 0.000 0.793 1304 A CB -0.545 18.593 19.000 0.228 0.000 1.028 1304 A HN 2.307 nan 8.150 nan 0.000 0.516 1305 C N -1.109 118.277 119.300 0.142 0.000 5.885 1305 C HA -0.296 4.161 4.460 -0.004 0.000 0.328 1305 C C 2.195 177.190 174.990 0.010 0.000 2.433 1305 C CA 1.847 60.910 59.018 0.076 0.000 2.197 1305 C CB -1.630 26.091 27.740 -0.031 0.000 3.236 1305 C HN 2.237 nan 8.230 nan 0.000 0.260 1306 A N -0.345 122.432 122.820 -0.072 0.000 2.308 1306 A HA 0.407 4.725 4.320 -0.004 0.000 0.217 1306 A C 0.938 178.465 177.584 -0.096 0.000 1.216 1306 A CA 1.950 53.883 52.037 -0.174 0.000 0.864 1306 A CB -0.414 18.464 19.000 -0.204 0.000 0.902 1306 A HN 1.110 nan 8.150 nan 0.000 0.499 1307 T N -0.615 113.915 114.554 -0.040 0.000 2.895 1307 T HA 0.230 4.577 4.350 -0.004 0.000 0.386 1307 T C 1.579 176.251 174.700 -0.047 0.000 1.112 1307 T CA 2.397 64.476 62.100 -0.036 0.000 1.070 1307 T CB 0.132 68.984 68.868 -0.025 0.000 1.319 1307 T HN 1.747 nan 8.240 nan 0.000 0.519 1308 S N -1.790 113.874 115.700 -0.059 0.000 1.637 1308 S HA -0.264 4.204 4.470 -0.004 0.000 0.232 1308 S C 1.518 176.106 174.600 -0.020 0.000 0.808 1308 S CA 1.842 60.014 58.200 -0.048 0.000 1.437 1308 S CB -2.243 60.945 63.200 -0.020 0.000 1.838 1308 S HN 0.778 nan 8.310 nan 0.000 0.525 1309 V N 3.650 123.549 119.914 -0.025 0.000 2.515 1309 V HA -0.066 4.051 4.120 -0.004 0.000 0.250 1309 V C 2.817 178.892 176.094 -0.031 0.000 1.058 1309 V CA 2.785 65.068 62.300 -0.028 0.000 1.064 1309 V CB -1.095 30.693 31.823 -0.059 0.000 0.675 1309 V HN 0.837 nan 8.190 nan 0.000 0.461 1310 E N 0.447 120.625 120.200 -0.037 0.000 2.160 1310 E HA -0.229 4.119 4.350 -0.004 0.000 0.195 1310 E C 2.223 178.814 176.600 -0.015 0.000 0.991 1310 E CA 1.941 58.325 56.400 -0.027 0.000 0.810 1310 E CB -0.424 29.262 29.700 -0.023 0.000 0.742 1310 E HN 0.522 nan 8.360 nan 0.000 0.466 1311 S N -0.942 114.748 115.700 -0.015 0.000 2.326 1311 S HA -0.106 4.362 4.470 -0.004 0.000 0.211 1311 S C 1.947 176.552 174.600 0.008 0.000 1.031 1311 S CA 1.316 59.514 58.200 -0.002 0.000 0.985 1311 S CB -0.764 62.432 63.200 -0.006 0.000 0.961 1311 S HN 0.216 nan 8.310 nan 0.000 0.436 1312 V N 3.514 123.435 119.914 0.013 0.000 2.258 1312 V HA -0.376 3.741 4.120 -0.004 0.000 0.259 1312 V C 2.457 178.559 176.094 0.012 0.000 1.076 1312 V CA 2.734 65.045 62.300 0.018 0.000 1.084 1312 V CB -1.230 30.601 31.823 0.013 0.000 0.706 1312 V HN 0.746 nan 8.190 nan 0.000 0.461 1313 D N -0.321 120.081 120.400 0.003 0.000 2.242 1313 D HA -0.241 4.397 4.640 -0.004 0.000 0.193 1313 D C 2.063 178.367 176.300 0.006 0.000 1.005 1313 D CA 2.823 56.824 54.000 0.001 0.000 0.856 1313 D CB -0.294 40.502 40.800 -0.007 0.000 1.001 1313 D HN 0.466 nan 8.370 nan 0.000 0.452 1314 I N 0.897 121.471 120.570 0.006 0.000 2.121 1314 I HA -0.343 3.825 4.170 -0.004 0.000 0.243 1314 I C 2.635 178.762 176.117 0.016 0.000 1.047 1314 I CA 1.912 63.219 61.300 0.011 0.000 1.308 1314 I CB -0.719 37.289 38.000 0.014 0.000 1.015 1314 I HN 0.243 nan 8.210 nan 0.000 0.410 1315 G N -0.292 108.521 108.800 0.022 0.000 2.434 1315 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.214 1315 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.214 1315 G C 1.743 176.655 174.900 0.020 0.000 1.202 1315 G CA 0.840 45.956 45.100 0.027 0.000 0.788 1315 G HN 0.296 nan 8.290 nan 0.000 0.539 1316 V N 0.655 120.580 119.914 0.019 0.000 2.317 1316 V HA -0.200 3.918 4.120 -0.004 0.000 0.251 1316 V C 2.738 178.837 176.094 0.009 0.000 1.065 1316 V CA 2.883 65.192 62.300 0.014 0.000 1.049 1316 V CB -0.298 31.534 31.823 0.015 0.000 0.651 1316 V HN 0.418 nan 8.190 nan 0.000 0.450 1317 E N -0.601 119.603 120.200 0.007 0.000 2.409 1317 E HA -0.106 4.242 4.350 -0.004 0.000 0.198 1317 E C 2.036 178.638 176.600 0.003 0.000 1.024 1317 E CA 1.366 57.768 56.400 0.003 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 -0.087 114.472 114.554 0.008 0.000 3.037 1318 T HA 0.095 4.443 4.350 -0.004 0.000 0.252 1318 T C 1.511 176.215 174.700 0.007 0.000 1.073 1318 T CA -0.066 62.039 62.100 0.009 0.000 1.091 1318 T CB 0.208 69.085 68.868 0.015 0.000 0.935 1318 T HN 0.067 nan 8.240 nan 0.000 0.488 1319 I N 1.750 122.324 120.570 0.006 0.000 2.202 1319 I HA -0.055 4.112 4.170 -0.004 0.000 0.242 1319 I C 2.261 178.377 176.117 -0.001 0.000 1.091 1319 I CA 0.868 62.170 61.300 0.003 0.000 1.368 1319 I CB -1.326 36.675 38.000 0.003 0.000 1.058 1319 I HN 0.238 nan 8.210 nan 0.000 0.410 1320 L N 1.066 122.287 121.223 -0.003 0.000 1.952 1320 L HA -0.198 4.139 4.340 -0.004 0.000 0.236 1320 L C 1.595 178.460 176.870 -0.008 0.000 1.092 1320 L CA 1.539 56.373 54.840 -0.009 0.000 0.817 1320 L CB -1.354 40.697 42.059 -0.013 0.000 0.907 1320 L HN 0.148 nan 8.230 nan 0.000 0.438 1321 S N 0.042 115.738 115.700 -0.007 0.000 2.593 1321 S HA 0.190 4.657 4.470 -0.004 0.000 0.300 1321 S C 0.981 175.581 174.600 -0.001 0.000 1.267 1321 S CA 0.084 58.281 58.200 -0.005 0.000 1.065 1321 S CB -0.150 63.048 63.200 -0.003 0.000 0.807 1321 S HN 0.799 nan 8.310 nan 0.000 0.499 1322 G N 4.382 113.182 108.800 -0.000 0.000 3.211 1322 G HA2 -0.018 3.939 3.960 -0.004 0.000 0.235 1322 G HA3 -0.018 3.939 3.960 -0.004 0.000 0.235 1322 G C 0.842 175.749 174.900 0.012 0.000 1.032 1322 G CA -0.106 44.998 45.100 0.005 0.000 1.819 1322 G HN 0.813 nan 8.290 nan 0.000 0.590 1323 K N -0.376 120.031 120.400 0.012 0.000 2.314 1323 K HA 0.449 4.766 4.320 -0.004 0.000 0.198 1323 K C 0.758 177.372 176.600 0.023 0.000 1.045 1323 K CA 0.815 57.112 56.287 0.018 0.000 0.988 1323 K CB 0.228 32.737 32.500 0.015 0.000 0.783 1323 K HN 0.467 nan 8.250 nan 0.000 0.484 1324 A N 1.117 123.948 122.820 0.017 0.000 2.611 1324 A HA 0.227 4.544 4.320 -0.004 0.000 0.302 1324 A C -1.687 175.894 177.584 -0.005 0.000 0.947 1324 A CA -1.139 50.904 52.037 0.011 0.000 0.697 1324 A CB 0.538 19.545 19.000 0.012 0.000 1.247 1324 A HN 0.133 nan 8.150 nan 0.000 0.403 1325 R N 0.770 121.254 120.500 -0.028 0.000 2.778 1325 R HA 0.849 5.186 4.340 -0.004 0.000 0.277 1325 R C -0.787 175.457 176.300 -0.094 0.000 0.977 1325 R CA -0.558 55.519 56.100 -0.039 0.000 0.950 1325 R CB 0.569 30.859 30.300 -0.017 0.000 1.165 1325 R HN 1.498 nan 8.270 nan 0.000 0.474 1326 I N -0.353 120.177 120.570 -0.067 0.000 6.847 1326 I HA -0.231 3.936 4.170 -0.004 0.000 0.126 1326 I C -0.081 176.011 176.117 -0.041 0.000 1.831 1326 I CA 0.113 61.364 61.300 -0.082 0.000 2.038 1326 I CB -1.580 36.303 38.000 -0.196 0.000 3.553 1326 I HN 0.918 nan 8.210 nan 0.000 0.169 1327 C N 4.379 123.686 119.300 0.013 0.000 2.354 1327 C HA 0.790 5.248 4.460 -0.004 0.000 0.381 1327 C C 1.787 176.836 174.990 0.099 0.000 1.240 1327 C CA -0.222 58.825 59.018 0.050 0.000 2.089 1327 C CB 1.514 29.282 27.740 0.046 0.000 2.234 1327 C HN 0.741 nan 8.230 nan 0.000 0.544 1328 I N 2.573 123.219 120.570 0.127 0.000 3.936 1328 I HA 0.333 4.500 4.170 -0.004 0.000 0.330 1328 I C 0.696 176.899 176.117 0.143 0.000 1.509 1328 I CA 0.330 61.732 61.300 0.170 0.000 1.126 1328 I CB -0.403 37.725 38.000 0.214 0.000 1.115 1328 I HN 0.798 nan 8.210 nan 0.000 0.424 1329 V N 1.152 121.133 119.914 0.110 0.000 0.690 1329 V HA -0.246 3.871 4.120 -0.004 0.000 0.092 1329 V C 0.544 176.686 176.094 0.081 0.000 0.775 1329 V CA 0.956 63.311 62.300 0.090 0.000 3.098 1329 V CB -1.329 30.555 31.823 0.100 0.000 0.185 1329 V HN 0.714 nan 8.190 nan 0.000 0.077 1330 G N -2.727 106.108 108.800 0.059 0.000 2.554 1330 G HA2 0.892 4.850 3.960 -0.004 0.000 0.306 1330 G HA3 0.892 4.850 3.960 -0.004 0.000 0.306 1330 G C 0.113 174.953 174.900 -0.099 0.000 1.320 1330 G CA 0.856 45.943 45.100 -0.022 0.000 0.800 1330 G HN 2.638 nan 8.290 nan 0.000 0.481 1331 G N -1.600 106.966 108.800 -0.390 0.000 2.295 1331 G HA2 0.611 4.569 3.960 -0.004 0.000 0.155 1331 G HA3 0.611 4.569 3.960 -0.004 0.000 0.155 1331 G C -0.067 174.384 174.900 -0.748 0.000 1.307 1331 G CA 0.455 45.344 45.100 -0.352 0.000 1.140 1331 G HN 2.642 nan 8.290 nan 0.000 0.470 1332 Y N -0.769 119.521 120.300 -0.016 0.000 2.514 1332 Y HA 0.159 4.706 4.550 -0.004 0.000 0.285 1332 Y C -0.611 175.285 175.900 -0.006 0.000 1.697 1332 Y CA 0.490 58.563 58.100 -0.045 0.000 1.418 1332 Y CB -0.655 37.831 38.460 0.044 0.000 2.055 1332 Y HN 1.275 nan 8.280 nan 0.000 0.258 1333 D N 0.895 121.396 120.400 0.168 0.000 2.890 1333 D HA 0.330 4.967 4.640 -0.004 0.000 0.306 1333 D C -1.909 174.426 176.300 0.058 0.000 1.280 1333 D CA -0.026 54.065 54.000 0.151 0.000 0.742 1333 D CB 1.941 42.819 40.800 0.130 0.000 1.266 1333 D HN 0.701 nan 8.370 nan 0.000 0.433 1334 D N -1.012 119.441 120.400 0.089 0.000 2.664 1334 D HA 0.500 5.138 4.640 -0.004 0.000 0.292 1334 D C -1.610 174.779 176.300 0.147 0.000 1.214 1334 D CA -0.437 53.612 54.000 0.083 0.000 0.932 1334 D CB 1.345 42.227 40.800 0.138 0.000 1.420 1334 D HN 0.119 nan 8.370 nan 0.000 0.471 1335 F N 2.026 121.976 119.950 0.000 0.000 2.382 1335 F HA 0.594 5.118 4.527 -0.004 0.000 0.361 1335 F C -0.707 175.098 175.800 0.008 0.000 1.109 1335 F CA -0.263 57.735 58.000 -0.004 0.000 1.031 1335 F CB 1.027 40.048 39.000 0.035 0.000 1.234 1335 F HN 0.181 nan 8.300 nan 0.000 0.445 1336 Q N 3.132 122.586 119.800 -0.576 0.000 2.495 1336 Q HA 0.281 4.618 4.340 -0.004 0.000 0.283 1336 Q C 1.091 176.716 176.000 -0.625 0.000 1.097 1336 Q CA -0.398 55.060 55.803 -0.575 0.000 0.836 1336 Q CB 1.680 30.255 28.738 -0.272 0.000 1.426 1336 Q HN 0.749 nan 8.270 nan 0.000 0.459 1337 E N 0.645 120.593 120.200 -0.420 0.000 2.026 1337 E HA -0.307 4.041 4.350 -0.004 0.000 0.206 1337 E C 1.062 177.523 176.600 -0.231 0.000 1.028 1337 E CA 2.082 58.304 56.400 -0.296 0.000 0.845 1337 E CB 0.044 29.610 29.700 -0.223 0.000 0.772 1337 E HN 0.711 nan 8.360 nan 0.000 0.462 1338 E N 0.426 120.497 120.200 -0.216 0.000 2.130 1338 E HA -0.194 4.154 4.350 -0.004 0.000 0.196 1338 E C 1.981 178.540 176.600 -0.067 0.000 0.998 1338 E CA 1.168 57.469 56.400 -0.165 0.000 0.806 1338 E CB -1.021 28.592 29.700 -0.146 0.000 0.738 1338 E HN 0.446 nan 8.360 nan 0.000 0.459 1339 G N 1.986 110.708 108.800 -0.130 0.000 2.941 1339 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.206 1339 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.206 1339 G C 0.881 175.747 174.900 -0.056 0.000 1.403 1339 G CA 1.398 46.422 45.100 -0.126 0.000 0.805 1339 G HN 0.439 nan 8.290 nan 0.000 0.689 1340 S N -1.266 114.444 115.700 0.016 0.000 2.586 1340 S HA 0.262 4.729 4.470 -0.004 0.000 0.256 1340 S C 0.110 174.894 174.600 0.307 0.000 1.392 1340 S CA 0.421 58.744 58.200 0.206 0.000 0.983 1340 S CB -0.341 63.166 63.200 0.512 0.000 0.897 1340 S HN 1.386 nan 8.310 nan 0.000 0.566 1341 F N 0.998 121.016 119.950 0.113 0.000 2.183 1341 F HA -0.215 4.310 4.527 -0.004 0.000 0.318 1341 F C 0.767 176.657 175.800 0.151 0.000 1.197 1341 F CA 1.408 59.466 58.000 0.097 0.000 0.913 1341 F CB -0.647 38.382 39.000 0.049 0.000 4.134 1341 F HN 0.961 nan 8.300 nan 0.000 0.138 1342 E N 0.006 120.436 120.200 0.383 0.000 4.120 1342 E HA -0.319 4.029 4.350 -0.004 0.000 0.191 1342 E C 0.369 177.137 176.600 0.279 0.000 1.227 1342 E CA 2.206 58.810 56.400 0.341 0.000 2.327 1342 E CB -1.434 28.509 29.700 0.405 0.000 1.820 1342 E HN 0.438 nan 8.360 nan 0.000 0.383 1343 F N 1.038 121.031 119.950 0.071 0.000 2.435 1343 F HA 0.356 4.881 4.527 -0.004 0.000 0.316 1343 F C 2.338 178.128 175.800 -0.018 0.000 1.220 1343 F CA 1.493 59.523 58.000 0.049 0.000 1.241 1343 F CB -0.004 39.052 39.000 0.094 0.000 1.234 1343 F HN 0.517 nan 8.300 nan 0.000 0.569 1344 G N 0.921 109.805 108.800 0.140 0.000 3.639 1344 G HA2 -0.474 3.483 3.960 -0.004 0.000 0.224 1344 G HA3 -0.474 3.483 3.960 -0.004 0.000 0.224 1344 G C 1.416 176.276 174.900 -0.067 0.000 1.339 1344 G CA 0.891 45.994 45.100 0.005 0.000 0.933 1344 G HN 0.674 nan 8.290 nan 0.000 0.568 1345 N N -0.102 118.525 118.700 -0.121 0.000 2.396 1345 N HA 0.062 4.800 4.740 -0.004 0.000 0.180 1345 N C 2.045 177.513 175.510 -0.070 0.000 1.028 1345 N CA 1.156 54.097 53.050 -0.183 0.000 0.893 1345 N CB -0.124 38.208 38.487 -0.257 0.000 0.967 1345 N HN 0.487 nan 8.380 nan 0.000 0.440 1346 M N 0.855 120.437 119.600 -0.030 0.000 2.563 1346 M HA 0.084 4.561 4.480 -0.004 0.000 0.231 1346 M C 0.047 176.337 176.300 -0.016 0.000 1.136 1346 M CA 0.643 55.913 55.300 -0.050 0.000 1.026 1346 M CB 0.230 32.741 32.600 -0.149 0.000 1.597 1346 M HN -0.126 nan 8.290 nan 0.000 0.495 1347 K N -2.688 117.708 120.400 -0.008 0.000 3.472 1347 K HA -0.242 4.076 4.320 -0.004 0.000 0.315 1347 K C 0.681 177.315 176.600 0.056 0.000 1.320 1347 K CA 0.962 57.255 56.287 0.011 0.000 0.962 1347 K CB -2.367 30.138 32.500 0.009 0.000 1.251 1347 K HN 0.538 nan 8.250 nan 0.000 0.443 1348 A N 0.227 123.107 122.820 0.100 0.000 2.070 1348 A HA 0.108 4.426 4.320 -0.004 0.000 0.221 1348 A C 1.710 179.376 177.584 0.137 0.000 1.603 1348 A CA 1.887 54.062 52.037 0.230 0.000 0.639 1348 A CB -0.714 18.543 19.000 0.428 0.000 1.235 1348 A HN 0.296 nan 8.150 nan 0.000 0.518 1349 T N -0.310 114.207 114.554 -0.061 0.000 1.711 1349 T HA -0.278 4.070 4.350 -0.004 0.000 0.114 1349 T C 0.968 175.462 174.700 -0.344 0.000 1.880 1349 T CA 3.563 65.337 62.100 -0.543 0.000 0.833 1349 T CB -1.349 67.401 68.868 -0.197 0.000 0.785 1349 T HN 2.044 nan 8.240 nan 0.000 0.398 1350 S N -0.026 115.592 115.700 -0.138 0.000 2.640 1350 S HA 0.416 4.883 4.470 -0.004 0.000 0.276 1350 S C -1.710 172.873 174.600 -0.029 0.000 1.170 1350 S CA -0.180 57.993 58.200 -0.045 0.000 1.046 1350 S CB 1.440 64.616 63.200 -0.041 0.000 1.229 1350 S HN 0.879 nan 8.310 nan 0.000 0.464 1351 N N 1.171 119.871 118.700 -0.001 0.000 2.621 1351 N HA 0.460 5.197 4.740 -0.004 0.000 0.271 1351 N C -0.713 174.829 175.510 0.055 0.000 1.181 1351 N CA 0.201 53.259 53.050 0.013 0.000 0.805 1351 N CB 1.569 40.057 38.487 0.002 0.000 1.351 1351 N HN 0.916 nan 8.380 nan 0.000 0.539 1352 T N 0.951 115.554 114.554 0.082 0.000 2.855 1352 T HA 0.340 4.688 4.350 -0.004 0.000 0.322 1352 T C 0.346 175.161 174.700 0.192 0.000 1.088 1352 T CA -0.233 61.983 62.100 0.194 0.000 1.104 1352 T CB 0.499 69.493 68.868 0.210 0.000 0.996 1352 T HN 0.729 nan 8.240 nan 0.000 0.549 1353 L N 0.645 122.079 121.223 0.352 0.000 0.589 1353 L HA -0.187 4.151 4.340 -0.004 0.000 0.356 1353 L C 0.932 177.862 176.870 0.099 0.000 1.004 1353 L CA 1.311 56.234 54.840 0.139 0.000 1.223 1353 L CB -1.142 40.906 42.059 -0.018 0.000 0.059 1353 L HN 1.144 nan 8.230 nan 0.000 0.097 1354 E N 1.152 121.367 120.200 0.025 0.000 3.948 1354 E HA -0.372 3.976 4.350 -0.004 0.000 0.200 1354 E C 0.949 177.532 176.600 -0.027 0.000 1.198 1354 E CA 1.708 58.045 56.400 -0.105 0.000 2.232 1354 E CB -0.867 28.777 29.700 -0.094 0.000 1.824 1354 E HN 0.842 nan 8.360 nan 0.000 0.346 1355 E N 0.286 120.521 120.200 0.058 0.000 2.396 1355 E HA -0.093 4.255 4.350 -0.004 0.000 0.200 1355 E C 1.513 178.162 176.600 0.082 0.000 1.023 1355 E CA 1.293 57.750 56.400 0.095 0.000 0.857 1355 E CB -0.135 29.602 29.700 0.061 0.000 0.775 1355 E HN 0.294 nan 8.360 nan 0.000 0.525 1356 F N 0.092 120.037 119.950 -0.008 0.000 2.389 1356 F HA 0.198 4.723 4.527 -0.003 0.000 0.275 1356 F C 2.119 177.900 175.800 -0.032 0.000 1.009 1356 F CA 0.992 58.982 58.000 -0.018 0.000 1.187 1356 F CB -0.474 38.506 39.000 -0.034 0.000 1.139 1356 F HN -0.002 nan 8.300 nan 0.000 0.613 1357 E N -0.857 119.488 120.200 0.242 0.000 2.233 1357 E HA -0.265 4.082 4.350 -0.004 0.000 0.199 1357 E C 1.540 178.178 176.600 0.064 0.000 1.004 1357 E CA 1.524 57.971 56.400 0.079 0.000 0.819 1357 E CB -0.180 29.497 29.700 -0.038 0.000 0.738 1357 E HN 0.606 nan 8.360 nan 0.000 0.478 1358 H N -1.308 117.765 119.070 0.005 0.000 3.144 1358 H HA 0.155 4.709 4.556 -0.004 0.000 0.319 1358 H C 0.627 175.907 175.328 -0.080 0.000 1.080 1358 H CA 0.267 56.289 56.048 -0.042 0.000 1.433 1358 H CB 0.008 29.755 29.762 -0.025 0.000 1.687 1358 H HN 0.132 nan 8.280 nan 0.000 0.879 1359 G N 0.342 109.202 108.800 0.100 0.000 2.922 1359 G HA2 0.222 4.179 3.960 -0.004 0.000 0.335 1359 G HA3 0.222 4.179 3.960 -0.004 0.000 0.335 1359 G C -0.096 174.789 174.900 -0.025 0.000 1.016 1359 G CA -0.405 44.713 45.100 0.030 0.000 1.306 1359 G HN 0.266 nan 8.290 nan 0.000 0.465 1360 R N 0.997 121.438 120.500 -0.099 0.000 2.614 1360 R HA -0.224 4.113 4.340 -0.004 0.000 0.419 1360 R C 1.673 177.779 176.300 -0.323 0.000 0.461 1360 R CA 1.797 57.748 56.100 -0.248 0.000 1.531 1360 R CB -1.631 28.571 30.300 -0.163 0.000 0.512 1360 R HN 1.185 nan 8.270 nan 0.000 0.597 1361 T N -2.505 111.904 114.554 -0.242 0.000 0.551 1361 T HA -0.131 4.216 4.350 -0.004 0.000 0.772 1361 T C -1.587 172.975 174.700 -0.230 0.000 0.992 1361 T CA 0.326 62.326 62.100 -0.167 0.000 4.070 1361 T CB -0.241 68.607 68.868 -0.033 0.000 2.299 1361 T HN 0.549 nan 8.240 nan 0.000 0.397 1362 P HA 0.109 nan 4.420 nan 0.000 0.236 1362 P C 1.549 178.833 177.300 -0.027 0.000 1.177 1362 P CA 0.919 63.928 63.100 -0.151 0.000 0.773 1362 P CB -0.173 31.463 31.700 -0.106 0.000 0.878 1363 A N 0.947 123.777 122.820 0.016 0.000 1.832 1363 A HA -0.150 4.168 4.320 -0.004 0.000 0.214 1363 A C 2.021 179.744 177.584 0.232 0.000 1.200 1363 A CA 1.142 53.260 52.037 0.134 0.000 0.610 1363 A CB -1.306 17.776 19.000 0.136 0.000 0.842 1363 A HN 0.097 nan 8.150 nan 0.000 0.444 1364 E N -1.351 118.920 120.200 0.118 0.000 3.362 1364 E HA -0.217 4.131 4.350 -0.004 0.000 0.456 1364 E C 1.054 177.685 176.600 0.051 0.000 0.807 1364 E CA 1.336 57.758 56.400 0.036 0.000 2.858 1364 E CB -0.274 29.410 29.700 -0.027 0.000 0.849 1364 E HN 0.468 nan 8.360 nan 0.000 0.494 1365 M N -1.330 118.269 119.600 -0.002 0.000 2.777 1365 M HA -0.283 4.195 4.480 -0.004 0.000 0.140 1365 M C 0.347 176.675 176.300 0.047 0.000 0.705 1365 M CA 0.921 56.233 55.300 0.019 0.000 0.526 1365 M CB -1.237 31.378 32.600 0.025 0.000 1.950 1365 M HN 0.139 nan 8.290 nan 0.000 0.280 1366 S N 0.677 116.408 115.700 0.051 0.000 2.652 1366 S HA 0.551 5.018 4.470 -0.004 0.000 0.252 1366 S C -0.313 174.153 174.600 -0.225 0.000 1.219 1366 S CA -0.821 57.429 58.200 0.084 0.000 1.151 1366 S CB 0.649 64.084 63.200 0.391 0.000 1.080 1366 S HN 0.385 nan 8.310 nan 0.000 0.481 1367 R N 2.810 123.172 120.500 -0.230 0.000 2.644 1367 R HA 0.323 4.660 4.340 -0.004 0.000 0.271 1367 R C -3.182 172.939 176.300 -0.299 0.000 1.687 1367 R CA -1.934 53.950 56.100 -0.360 0.000 1.655 1367 R CB 0.238 30.349 30.300 -0.315 0.000 1.285 1367 R HN 0.258 nan 8.270 nan 0.000 0.643 1368 P HA -0.139 nan 4.420 nan 0.000 0.255 1368 P C -0.113 176.824 177.300 -0.605 0.000 1.161 1368 P CA 1.303 64.107 63.100 -0.492 0.000 0.768 1368 P CB 0.425 31.690 31.700 -0.725 0.000 0.746 1369 A N 3.602 126.139 122.820 -0.471 0.000 2.423 1369 A HA 0.013 4.331 4.320 -0.004 0.000 0.682 1369 A C 0.901 178.302 177.584 -0.305 0.000 0.145 1369 A CA 0.790 52.562 52.037 -0.441 0.000 0.058 1369 A CB -1.961 16.583 19.000 -0.760 0.000 3.950 1369 A HN 0.821 nan 8.150 nan 0.000 0.545 1370 T N -1.829 112.607 114.554 -0.196 0.000 4.874 1370 T HA 0.277 4.624 4.350 -0.004 0.000 0.297 1370 T C 1.387 176.028 174.700 -0.097 0.000 1.005 1370 T CA 1.038 63.057 62.100 -0.136 0.000 0.561 1370 T CB -1.297 67.480 68.868 -0.152 0.000 0.843 1370 T HN 2.603 nan 8.240 nan 0.000 0.601 1371 T N 1.106 115.606 114.554 -0.089 0.000 13.163 1371 T HA -0.271 4.077 4.350 -0.004 0.000 0.413 1371 T C 1.270 175.935 174.700 -0.058 0.000 1.487 1371 T CA 2.001 64.065 62.100 -0.061 0.000 2.430 1371 T CB -2.176 66.660 68.868 -0.052 0.000 2.746 1371 T HN 0.631 nan 8.240 nan 0.000 0.581 1372 T N 4.102 118.612 114.554 -0.073 0.000 3.155 1372 T HA 0.078 4.425 4.350 -0.004 0.000 0.264 1372 T C 0.810 175.480 174.700 -0.050 0.000 1.160 1372 T CA 1.023 63.085 62.100 -0.065 0.000 1.075 1372 T CB -0.525 68.289 68.868 -0.089 0.000 0.921 1372 T HN 0.842 nan 8.240 nan 0.000 0.533 1373 R N 1.760 122.221 120.500 -0.066 0.000 2.811 1373 R HA 0.271 4.609 4.340 -0.004 0.000 0.265 1373 R C 0.779 177.070 176.300 -0.014 0.000 1.026 1373 R CA 0.054 56.117 56.100 -0.061 0.000 1.142 1373 R CB 0.192 30.442 30.300 -0.084 0.000 1.027 1373 R HN -0.050 nan 8.270 nan 0.000 0.465 1374 N N -1.541 117.166 118.700 0.011 0.000 2.070 1374 N HA 0.140 4.877 4.740 -0.004 0.000 0.284 1374 N C -0.816 174.736 175.510 0.070 0.000 1.046 1374 N CA 0.887 53.959 53.050 0.037 0.000 0.730 1374 N CB 1.515 40.025 38.487 0.039 0.000 1.826 1374 N HN 0.790 nan 8.380 nan 0.000 0.704 1375 G N 0.328 109.186 108.800 0.098 0.000 2.355 1375 G HA2 0.321 4.279 3.960 -0.004 0.000 0.296 1375 G HA3 0.321 4.279 3.960 -0.004 0.000 0.296 1375 G C -0.185 174.854 174.900 0.232 0.000 1.507 1375 G CA -0.261 44.954 45.100 0.193 0.000 0.823 1375 G HN 0.053 nan 8.290 nan 0.000 0.569 1376 F N -0.438 119.558 119.950 0.077 0.000 2.153 1376 F HA 0.738 5.263 4.527 -0.004 0.000 0.276 1376 F C 1.245 177.101 175.800 0.093 0.000 1.340 1376 F CA 0.676 58.727 58.000 0.085 0.000 1.094 1376 F CB -0.428 38.628 39.000 0.093 0.000 0.964 1376 F HN 1.074 nan 8.300 nan 0.000 0.522 1377 M N -0.771 118.809 119.600 -0.034 0.000 2.900 1377 M HA 0.062 4.540 4.480 -0.004 0.000 0.095 1377 M C -0.793 175.534 176.300 0.045 0.000 0.874 1377 M CA -0.414 54.801 55.300 -0.142 0.000 0.642 1377 M CB -1.161 31.401 32.600 -0.064 0.000 2.786 1377 M HN 0.640 nan 8.290 nan 0.000 0.230 1378 E N 1.616 121.888 120.200 0.120 0.000 2.556 1378 E HA 0.397 4.745 4.350 -0.004 0.000 0.273 1378 E C -0.369 176.225 176.600 -0.010 0.000 1.123 1378 E CA 0.888 57.411 56.400 0.205 0.000 1.033 1378 E CB 0.497 30.294 29.700 0.162 0.000 1.025 1378 E HN 0.884 nan 8.360 nan 0.000 0.465 1379 A N 1.138 124.022 122.820 0.107 0.000 2.486 1379 A HA 0.271 4.588 4.320 -0.004 0.000 0.289 1379 A C 0.705 178.348 177.584 0.097 0.000 1.176 1379 A CA -0.208 51.888 52.037 0.097 0.000 0.757 1379 A CB 1.475 20.651 19.000 0.293 0.000 1.337 1379 A HN 0.628 nan 8.150 nan 0.000 0.423 1380 Q N 0.382 120.377 119.800 0.325 0.000 1.858 1380 Q HA 0.257 4.595 4.340 -0.004 0.000 0.240 1380 Q C 0.963 176.776 176.000 -0.312 0.000 1.014 1380 Q CA 2.755 58.585 55.803 0.045 0.000 0.884 1380 Q CB -0.588 27.943 28.738 -0.345 0.000 0.957 1380 Q HN 2.449 nan 8.270 nan 0.000 0.419 1381 G N -1.697 106.872 108.800 -0.384 0.000 2.777 1381 G HA2 0.369 4.327 3.960 -0.004 0.000 0.686 1381 G HA3 0.369 4.327 3.960 -0.004 0.000 0.686 1381 G C -0.922 173.622 174.900 -0.593 0.000 1.177 1381 G CA -0.240 44.450 45.100 -0.684 0.000 0.775 1381 G HN 1.254 nan 8.290 nan 0.000 0.613 1382 A N 0.071 122.682 122.820 -0.349 0.000 2.436 1382 A HA 0.911 5.229 4.320 -0.004 0.000 0.295 1382 A C 0.075 177.836 177.584 0.295 0.000 0.971 1382 A CA 0.657 52.683 52.037 -0.017 0.000 0.803 1382 A CB 0.334 19.355 19.000 0.035 0.000 1.045 1382 A HN 2.958 nan 8.150 nan 0.000 0.363 1383 G N 0.306 109.278 108.800 0.287 0.000 2.759 1383 G HA2 0.747 4.705 3.960 -0.004 0.000 0.297 1383 G HA3 0.747 4.705 3.960 -0.004 0.000 0.297 1383 G C -1.672 173.393 174.900 0.275 0.000 1.434 1383 G CA -0.333 44.994 45.100 0.378 0.000 0.980 1383 G HN 1.558 nan 8.290 nan 0.000 0.531 1384 I N -0.439 120.267 120.570 0.226 0.000 3.042 1384 I HA 0.721 4.888 4.170 -0.004 0.000 0.310 1384 I C -0.895 175.343 176.117 0.201 0.000 1.117 1384 I CA -1.029 60.391 61.300 0.201 0.000 1.003 1384 I CB 2.482 40.588 38.000 0.177 0.000 1.228 1384 I HN 0.595 nan 8.210 nan 0.000 0.443 1385 Q N 5.596 125.515 119.800 0.199 0.000 2.309 1385 Q HA 0.615 4.953 4.340 -0.004 0.000 0.273 1385 Q C -1.416 174.706 176.000 0.205 0.000 1.040 1385 Q CA -0.635 55.307 55.803 0.232 0.000 0.834 1385 Q CB 2.819 31.686 28.738 0.215 0.000 1.345 1385 Q HN 0.606 nan 8.270 nan 0.000 0.414 1386 I N 0.071 120.787 120.570 0.243 0.000 2.354 1386 I HA 0.679 4.846 4.170 -0.004 0.000 0.292 1386 I C -0.611 175.606 176.117 0.168 0.000 0.989 1386 I CA -1.197 60.247 61.300 0.240 0.000 1.188 1386 I CB 0.529 38.748 38.000 0.366 0.000 1.342 1386 I HN 0.481 nan 8.210 nan 0.000 0.457 1387 I N 3.932 124.570 120.570 0.113 0.000 2.846 1387 I HA 0.730 4.898 4.170 -0.004 0.000 0.307 1387 I C -0.547 175.591 176.117 0.036 0.000 1.053 1387 I CA -1.277 60.065 61.300 0.071 0.000 1.050 1387 I CB 1.882 39.914 38.000 0.054 0.000 1.239 1387 I HN 0.634 nan 8.210 nan 0.000 0.439 1388 M N 1.792 121.404 119.600 0.019 0.000 2.631 1388 M HA 0.395 4.872 4.480 -0.004 0.000 0.288 1388 M C 0.266 176.561 176.300 -0.008 0.000 1.260 1388 M CA -0.547 54.752 55.300 -0.003 0.000 0.842 1388 M CB 2.177 34.776 32.600 -0.001 0.000 1.743 1388 M HN 0.813 nan 8.290 nan 0.000 0.461 1389 Q N 0.980 120.773 119.800 -0.010 0.000 2.594 1389 Q HA 0.030 4.368 4.340 -0.004 0.000 0.219 1389 Q C 0.765 176.747 176.000 -0.030 0.000 0.980 1389 Q CA 1.190 56.985 55.803 -0.014 0.000 0.962 1389 Q CB -0.099 28.636 28.738 -0.004 0.000 0.987 1389 Q HN 0.842 nan 8.270 nan 0.000 0.553 1390 A N -0.561 122.234 122.820 -0.042 0.000 1.266 1390 A HA -0.429 3.888 4.320 -0.004 0.000 0.297 1390 A C 1.109 178.640 177.584 -0.088 0.000 1.787 1390 A CA 1.475 53.462 52.037 -0.084 0.000 1.093 1390 A CB -2.177 16.761 19.000 -0.103 0.000 1.471 1390 A HN 0.627 nan 8.150 nan 0.000 0.723 1391 D N 0.856 121.211 120.400 -0.076 0.000 2.137 1391 D HA -0.169 4.469 4.640 -0.004 0.000 0.189 1391 D C 1.742 178.013 176.300 -0.048 0.000 0.998 1391 D CA 1.825 55.780 54.000 -0.074 0.000 0.839 1391 D CB -0.302 40.462 40.800 -0.059 0.000 0.962 1391 D HN 0.454 nan 8.370 nan 0.000 0.446 1392 L N 0.258 121.481 121.223 -0.000 0.000 2.283 1392 L HA -0.207 4.131 4.340 -0.004 0.000 0.217 1392 L C 2.110 179.061 176.870 0.134 0.000 1.104 1392 L CA 1.448 56.335 54.840 0.078 0.000 0.772 1392 L CB -1.724 40.430 42.059 0.159 0.000 0.899 1392 L HN 0.076 nan 8.230 nan 0.000 0.439 1393 A N 0.091 122.946 122.820 0.059 0.000 1.865 1393 A HA -0.017 4.300 4.320 -0.004 0.000 0.216 1393 A C 2.223 179.870 177.584 0.106 0.000 1.315 1393 A CA 0.452 52.538 52.037 0.082 0.000 0.605 1393 A CB -0.792 18.208 19.000 -0.000 0.000 0.984 1393 A HN 0.281 nan 8.150 nan 0.000 0.470 1394 L N -0.140 121.044 121.223 -0.064 0.000 2.270 1394 L HA -0.144 4.193 4.340 -0.004 0.000 0.217 1394 L C 1.133 178.049 176.870 0.076 0.000 1.107 1394 L CA 1.095 55.843 54.840 -0.153 0.000 0.772 1394 L CB -0.524 41.289 42.059 -0.409 0.000 0.902 1394 L HN 0.260 nan 8.230 nan 0.000 0.439 1395 K N 1.400 121.797 120.400 -0.003 0.000 2.262 1395 K HA 0.286 4.603 4.320 -0.004 0.000 0.288 1395 K C -0.320 176.232 176.600 -0.079 0.000 1.090 1395 K CA 0.035 56.269 56.287 -0.089 0.000 0.918 1395 K CB -0.122 32.255 32.500 -0.204 0.000 1.139 1395 K HN 0.018 nan 8.250 nan 0.000 0.462 1396 M N 2.876 122.472 119.600 -0.007 0.000 4.043 1396 M HA -0.174 4.303 4.480 -0.004 0.000 0.157 1396 M C 0.460 176.858 176.300 0.164 0.000 1.531 1396 M CA 0.870 56.207 55.300 0.062 0.000 1.096 1396 M CB -1.179 31.450 32.600 0.049 0.000 1.346 1396 M HN 0.982 nan 8.290 nan 0.000 0.195 1397 G N 2.639 111.474 108.800 0.059 0.000 2.942 1397 G HA2 0.035 3.993 3.960 -0.004 0.000 0.290 1397 G HA3 0.035 3.993 3.960 -0.004 0.000 0.290 1397 G C 0.538 175.484 174.900 0.077 0.000 0.295 1397 G CA 0.252 45.336 45.100 -0.026 0.000 1.201 1397 G HN 1.045 nan 8.290 nan 0.000 0.204 1398 V N 4.642 124.616 119.914 0.099 0.000 2.988 1398 V HA 0.482 4.599 4.120 -0.004 0.000 0.223 1398 V C -1.458 174.633 176.094 -0.005 0.000 1.144 1398 V CA 1.007 63.361 62.300 0.089 0.000 1.242 1398 V CB 0.843 32.750 31.823 0.140 0.000 1.073 1398 V HN 0.741 nan 8.190 nan 0.000 0.508 1399 P HA 0.364 nan 4.420 nan 0.000 0.285 1399 P C -0.946 176.224 177.300 -0.216 0.000 1.285 1399 P CA -0.541 62.510 63.100 -0.081 0.000 0.854 1399 P CB 1.497 33.073 31.700 -0.207 0.000 1.180 1400 I N -1.084 119.424 120.570 -0.103 0.000 2.342 1400 I HA 0.322 4.490 4.170 -0.004 0.000 0.291 1400 I C 0.317 176.271 176.117 -0.273 0.000 1.010 1400 I CA -0.649 60.545 61.300 -0.176 0.000 1.308 1400 I CB 0.355 38.280 38.000 -0.124 0.000 1.400 1400 I HN 0.234 nan 8.210 nan 0.000 0.488 1401 Y N 5.207 125.462 120.300 -0.074 0.000 2.976 1401 Y HA 0.448 4.996 4.550 -0.004 0.000 0.214 1401 Y C 1.883 177.673 175.900 -0.183 0.000 0.927 1401 Y CA 0.878 58.891 58.100 -0.144 0.000 1.000 1401 Y CB -0.876 37.425 38.460 -0.264 0.000 1.069 1401 Y HN 0.656 nan 8.280 nan 0.000 0.462 1402 G N 0.078 108.877 108.800 -0.003 0.000 2.588 1402 G HA2 0.417 4.374 3.960 -0.004 0.000 0.281 1402 G HA3 0.417 4.374 3.960 -0.004 0.000 0.281 1402 G C -1.319 173.542 174.900 -0.065 0.000 1.236 1402 G CA -0.455 44.594 45.100 -0.084 0.000 0.969 1402 G HN 0.425 nan 8.290 nan 0.000 0.504 1403 I N 0.300 120.839 120.570 -0.052 0.000 2.476 1403 I HA 0.369 4.537 4.170 -0.004 0.000 0.281 1403 I C -0.299 175.832 176.117 0.023 0.000 1.040 1403 I CA -0.793 60.501 61.300 -0.011 0.000 1.094 1403 I CB 1.474 39.481 38.000 0.013 0.000 1.219 1403 I HN 0.237 nan 8.210 nan 0.000 0.450 1404 V N 7.931 127.856 119.914 0.018 0.000 2.625 1404 V HA 0.020 4.137 4.120 -0.004 0.000 0.305 1404 V C 1.042 177.162 176.094 0.044 0.000 1.055 1404 V CA 1.271 63.585 62.300 0.022 0.000 1.209 1404 V CB 0.335 32.170 31.823 0.020 0.000 0.877 1404 V HN 0.970 nan 8.190 nan 0.000 0.489 1405 A N 5.477 128.311 122.820 0.024 0.000 2.213 1405 A HA 0.539 4.857 4.320 -0.004 0.000 0.220 1405 A C 0.649 178.249 177.584 0.027 0.000 2.232 1405 A CA 0.001 52.052 52.037 0.022 0.000 1.017 1405 A CB -0.168 18.825 19.000 -0.012 0.000 1.372 1405 A HN 0.652 nan 8.150 nan 0.000 0.614 1406 M N 0.063 119.668 119.600 0.008 0.000 2.291 1406 M HA 0.626 5.103 4.480 -0.004 0.000 0.324 1406 M C -0.313 175.988 176.300 0.003 0.000 1.148 1406 M CA 0.047 55.353 55.300 0.010 0.000 1.104 1406 M CB 1.366 33.960 32.600 -0.009 0.000 1.483 1406 M HN 0.487 nan 8.290 nan 0.000 0.467 1407 A N 3.917 126.739 122.820 0.004 0.000 3.204 1407 A HA 0.713 5.030 4.320 -0.004 0.000 0.327 1407 A C 0.662 178.237 177.584 -0.015 0.000 0.998 1407 A CA -0.165 51.870 52.037 -0.004 0.000 0.891 1407 A CB -1.053 17.950 19.000 0.004 0.000 1.061 1407 A HN 1.394 nan 8.150 nan 0.000 0.478 1408 A N 0.578 123.380 122.820 -0.030 0.000 4.723 1408 A HA 0.019 4.337 4.320 -0.004 0.000 1.014 1408 A C 1.263 178.828 177.584 -0.032 0.000 1.486 1408 A CA 1.868 53.879 52.037 -0.043 0.000 3.419 1408 A CB -1.531 17.431 19.000 -0.063 0.000 1.716 1408 A HN 2.423 nan 8.150 nan 0.000 1.042 1409 T N -2.641 111.892 114.554 -0.035 0.000 1.969 1409 T HA 0.406 4.753 4.350 -0.004 0.000 0.592 1409 T C -0.479 174.212 174.700 -0.015 0.000 0.903 1409 T CA 1.210 63.297 62.100 -0.022 0.000 3.149 1409 T CB -1.805 67.054 68.868 -0.016 0.000 1.870 1409 T HN 2.657 nan 8.240 nan 0.000 0.458 1410 A N 3.812 126.628 122.820 -0.006 0.000 2.540 1410 A HA 0.835 5.152 4.320 -0.004 0.000 0.297 1410 A C 0.668 178.263 177.584 0.018 0.000 1.056 1410 A CA 0.483 52.523 52.037 0.005 0.000 0.700 1410 A CB 1.332 20.338 19.000 0.011 0.000 1.280 1410 A HN 1.386 nan 8.150 nan 0.000 0.398 1411 T N -0.756 113.805 114.554 0.013 0.000 3.608 1411 T HA 0.529 4.877 4.350 -0.004 0.000 0.213 1411 T C -0.067 174.639 174.700 0.011 0.000 0.897 1411 T CA 1.218 63.327 62.100 0.014 0.000 1.533 1411 T CB -0.600 68.274 68.868 0.010 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 0.005 0.000 10.770 1412 D HA 0.086 4.723 4.640 -0.004 0.000 0.340 1412 D C -0.391 175.906 176.300 -0.006 0.000 3.132 1412 D CA 1.022 55.023 54.000 0.000 0.000 2.696 1412 D CB -0.548 40.254 40.800 0.003 0.000 1.209 1412 D HN 1.047 nan 8.370 nan 0.000 0.941 1413 K N -0.800 119.596 120.400 -0.006 0.000 2.929 1413 K HA -0.161 4.157 4.320 -0.004 0.000 0.841 1413 K C -1.384 175.212 176.600 -0.006 0.000 2.475 1413 K CA 0.402 56.684 56.287 -0.009 0.000 1.503 1413 K CB -0.269 32.220 32.500 -0.018 0.000 2.737 1413 K HN 0.544 nan 8.250 nan 0.000 0.174 1414 I N 2.340 122.906 120.570 -0.007 0.000 2.521 1414 I HA 0.365 4.532 4.170 -0.004 0.000 0.277 1414 I C 0.550 176.664 176.117 -0.005 0.000 1.054 1414 I CA -0.211 61.087 61.300 -0.004 0.000 1.117 1414 I CB 1.352 39.351 38.000 -0.002 0.000 1.217 1414 I HN 0.685 nan 8.210 nan 0.000 0.469 1415 G N 4.275 113.072 108.800 -0.005 0.000 3.209 1415 G HA2 0.638 4.595 3.960 -0.004 0.000 0.236 1415 G HA3 0.638 4.595 3.960 -0.004 0.000 0.236 1415 G C -0.535 174.364 174.900 -0.001 0.000 1.329 1415 G CA -0.573 44.523 45.100 -0.006 0.000 1.015 1415 G HN 0.480 nan 8.290 nan 0.000 0.571 1416 R N 0.154 120.654 120.500 -0.001 0.000 2.638 1416 R HA 0.462 4.799 4.340 -0.004 0.000 0.261 1416 R C -0.934 175.369 176.300 0.004 0.000 1.515 1416 R CA 0.050 56.151 56.100 0.002 0.000 1.623 1416 R CB 0.455 30.755 30.300 0.001 0.000 1.347 1416 R HN 0.863 nan 8.270 nan 0.000 0.705 1417 S N -1.349 114.356 115.700 0.008 0.000 2.680 1417 S HA 0.423 4.891 4.470 -0.004 0.000 0.284 1417 S C -1.389 173.226 174.600 0.024 0.000 1.055 1417 S CA -0.874 57.333 58.200 0.013 0.000 0.849 1417 S CB 1.842 65.047 63.200 0.009 0.000 1.068 1417 S HN -0.031 nan 8.310 nan 0.000 0.453 1418 V N 1.456 121.394 119.914 0.041 0.000 2.891 1418 V HA 0.676 4.793 4.120 -0.004 0.000 0.304 1418 V C -1.853 174.326 176.094 0.141 0.000 1.171 1418 V CA -1.169 61.181 62.300 0.083 0.000 0.943 1418 V CB 1.419 33.295 31.823 0.088 0.000 1.037 1418 V HN 1.038 nan 8.190 nan 0.000 0.427 1419 P HA 0.522 nan 4.420 nan 0.000 0.330 1419 P C -0.070 177.252 177.300 0.037 0.000 1.377 1419 P CA 0.581 63.774 63.100 0.156 0.000 0.793 1419 P CB 0.627 32.364 31.700 0.062 0.000 1.813 1420 A N -3.036 119.761 122.820 -0.038 0.000 1.875 1420 A HA 0.230 4.548 4.320 -0.004 0.000 0.233 1420 A C -2.611 174.881 177.584 -0.153 0.000 2.856 1420 A CA -0.788 51.207 52.037 -0.071 0.000 2.125 1420 A CB -2.298 16.676 19.000 -0.044 0.000 0.263 1420 A HN 0.317 nan 8.150 nan 0.000 0.948 1421 P HA -0.002 nan 4.420 nan 0.000 0.244 1421 P C 0.997 177.983 177.300 -0.523 0.000 1.080 1421 P CA 2.022 64.853 63.100 -0.449 0.000 0.794 1421 P CB 0.166 31.591 31.700 -0.458 0.000 0.689 1422 G N 3.551 112.078 108.800 -0.456 0.000 2.272 1422 G HA2 -0.053 3.904 3.960 -0.004 0.000 0.274 1422 G HA3 -0.053 3.904 3.960 -0.004 0.000 0.274 1422 G C 0.757 175.434 174.900 -0.371 0.000 1.136 1422 G CA -0.370 44.559 45.100 -0.285 0.000 1.098 1422 G HN 0.481 nan 8.290 nan 0.000 0.425 1423 K N 2.254 122.511 120.400 -0.240 0.000 2.046 1423 K HA 0.063 4.380 4.320 -0.004 0.000 0.197 1423 K C 2.431 179.006 176.600 -0.042 0.000 1.038 1423 K CA 0.868 57.063 56.287 -0.154 0.000 1.022 1423 K CB -0.486 31.959 32.500 -0.091 0.000 1.283 1423 K HN 0.358 nan 8.250 nan 0.000 0.496 1424 G N 0.946 109.738 108.800 -0.013 0.000 2.535 1424 G HA2 -0.081 3.876 3.960 -0.004 0.000 0.218 1424 G HA3 -0.081 3.876 3.960 -0.004 0.000 0.218 1424 G C 0.753 175.662 174.900 0.015 0.000 1.122 1424 G CA 0.155 45.265 45.100 0.016 0.000 0.769 1424 G HN 0.412 nan 8.290 nan 0.000 0.549 1425 I N 1.782 122.343 120.570 -0.015 0.000 3.166 1425 I HA 0.118 4.286 4.170 -0.004 0.000 0.322 1425 I C 0.683 176.810 176.117 0.016 0.000 0.920 1425 I CA 0.624 61.913 61.300 -0.018 0.000 1.906 1425 I CB -2.671 35.293 38.000 -0.060 0.000 1.255 1425 I HN 0.356 nan 8.210 nan 0.000 0.887 1426 L N -1.965 119.284 121.223 0.043 0.000 3.065 1426 L HA 0.016 4.353 4.340 -0.004 0.000 0.221 1426 L C 0.795 177.716 176.870 0.085 0.000 0.971 1426 L CA 0.177 55.054 54.840 0.063 0.000 1.083 1426 L CB -0.940 41.173 42.059 0.091 0.000 1.466 1426 L HN 0.127 nan 8.230 nan 0.000 0.392 1427 T N -4.855 109.736 114.554 0.062 0.000 11.558 1427 T HA -0.416 3.931 4.350 -0.004 0.000 0.419 1427 T C 1.218 175.948 174.700 0.051 0.000 1.442 1427 T CA 2.575 64.701 62.100 0.043 0.000 2.408 1427 T CB -2.537 66.360 68.868 0.049 0.000 2.890 1427 T HN 1.450 nan 8.240 nan 0.000 0.961 1428 T N 1.867 116.463 114.554 0.070 0.000 3.160 1428 T HA 0.515 4.863 4.350 -0.004 0.000 0.257 1428 T C 2.113 176.855 174.700 0.071 0.000 1.147 1428 T CA 0.980 63.121 62.100 0.067 0.000 1.064 1428 T CB -0.472 68.431 68.868 0.058 0.000 0.949 1428 T HN 0.867 nan 8.240 nan 0.000 0.526 1429 A N 1.537 124.391 122.820 0.055 0.000 1.930 1429 A HA 0.112 4.429 4.320 -0.004 0.000 0.215 1429 A C 1.605 179.210 177.584 0.035 0.000 1.176 1429 A CA 0.426 52.486 52.037 0.039 0.000 0.632 1429 A CB -0.114 18.892 19.000 0.010 0.000 0.819 1429 A HN 0.463 nan 8.150 nan 0.000 0.445 1430 R N -0.926 119.594 120.500 0.034 0.000 2.571 1430 R HA 0.175 4.512 4.340 -0.004 0.000 0.259 1430 R C 0.100 176.457 176.300 0.094 0.000 1.226 1430 R CA 0.305 56.428 56.100 0.039 0.000 1.157 1430 R CB 0.191 30.499 30.300 0.015 0.000 1.220 1430 R HN 0.162 nan 8.270 nan 0.000 0.605 1431 E N 0.023 120.283 120.200 0.100 0.000 2.791 1431 E HA -0.262 4.086 4.350 -0.004 0.000 0.271 1431 E C 0.140 176.874 176.600 0.223 0.000 1.044 1431 E CA 1.090 57.558 56.400 0.114 0.000 0.814 1431 E CB -1.490 28.260 29.700 0.083 0.000 1.400 1431 E HN 0.792 nan 8.360 nan 0.000 0.423 1432 H N 0.663 119.795 119.070 0.103 0.000 3.577 1432 H HA -0.076 4.477 4.556 -0.004 0.000 0.298 1432 H C 0.813 176.289 175.328 0.247 0.000 0.982 1432 H CA 2.658 58.781 56.048 0.125 0.000 0.971 1432 H CB -0.164 29.646 29.762 0.080 0.000 1.750 1432 H HN 0.545 nan 8.280 nan 0.000 1.079 1433 H N -1.177 117.905 119.070 0.020 0.000 4.198 1433 H HA -0.173 4.380 4.556 -0.004 0.000 0.264 1433 H C -0.089 175.183 175.328 -0.095 0.000 0.612 1433 H CA 0.689 56.690 56.048 -0.078 0.000 0.737 1433 H CB -0.536 29.167 29.762 -0.099 0.000 1.170 1433 H HN 0.481 nan 8.280 nan 0.000 0.303 1434 S N 1.047 116.587 115.700 -0.267 0.000 2.677 1434 S HA 0.687 5.154 4.470 -0.004 0.000 0.290 1434 S C 0.273 174.823 174.600 -0.083 0.000 1.124 1434 S CA 0.410 58.538 58.200 -0.120 0.000 1.017 1434 S CB 1.563 64.652 63.200 -0.184 0.000 1.215 1434 S HN 0.638 nan 8.310 nan 0.000 0.524 1435 S N -0.124 115.522 115.700 -0.090 0.000 2.946 1435 S HA 0.113 4.581 4.470 -0.004 0.000 0.194 1435 S C -1.321 173.237 174.600 -0.070 0.000 0.773 1435 S CA -0.448 57.660 58.200 -0.154 0.000 1.082 1435 S CB 0.155 63.291 63.200 -0.107 0.000 1.393 1435 S HN 0.543 nan 8.310 nan 0.000 0.551 1436 V N 3.680 123.567 119.914 -0.044 0.000 2.393 1436 V HA 0.220 4.338 4.120 -0.004 0.000 0.257 1436 V C 0.731 176.857 176.094 0.053 0.000 1.040 1436 V CA -0.123 62.181 62.300 0.007 0.000 1.097 1436 V CB -0.317 31.505 31.823 -0.003 0.000 1.101 1436 V HN 0.576 nan 8.190 nan 0.000 0.479 1437 K N 4.635 125.095 120.400 0.100 0.000 4.532 1437 K HA -0.262 4.056 4.320 -0.004 0.000 0.567 1437 K C 0.083 176.842 176.600 0.266 0.000 1.961 1437 K CA 1.817 58.207 56.287 0.172 0.000 1.415 1437 K CB -0.076 32.482 32.500 0.097 0.000 1.738 1437 K HN 0.987 nan 8.250 nan 0.000 0.295 1438 Y N 1.272 121.573 120.300 0.000 0.000 2.855 1438 Y HA 0.312 4.859 4.550 -0.004 0.000 0.251 1438 Y C 1.301 177.201 175.900 -0.000 0.000 1.152 1438 Y CA 1.029 59.127 58.100 -0.003 0.000 1.201 1438 Y CB -0.731 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 1.055 123.321 122.820 -0.924 0.000 1.345 1439 A HA -0.282 4.036 4.320 -0.004 0.000 0.222 1439 A C 0.789 177.973 177.584 -0.667 0.000 0.343 1439 A CA 2.206 53.817 52.037 -0.709 0.000 1.095 1439 A CB -2.315 16.522 19.000 -0.272 0.000 1.469 1439 A HN 0.853 nan 8.150 nan 0.000 0.722 1440 S N 1.171 116.644 115.700 -0.377 0.000 2.659 1440 S HA 0.684 5.151 4.470 -0.004 0.000 0.312 1440 S C -1.598 172.960 174.600 -0.069 0.000 1.114 1440 S CA -0.200 57.885 58.200 -0.193 0.000 1.063 1440 S CB 2.685 65.823 63.200 -0.103 0.000 0.996 1440 S HN 0.822 nan 8.310 nan 0.000 0.478 1441 P HA 0.570 nan 4.420 nan 0.000 0.300 1441 P C -1.341 175.998 177.300 0.066 0.000 1.234 1441 P CA -0.396 62.764 63.100 0.100 0.000 0.763 1441 P CB 0.685 32.535 31.700 0.250 0.000 1.921 1442 N N -1.584 117.152 118.700 0.060 0.000 4.268 1442 N HA -0.090 4.648 4.740 -0.004 0.000 0.332 1442 N C -0.674 174.835 175.510 -0.002 0.000 2.196 1442 N CA 0.487 53.555 53.050 0.029 0.000 2.816 1442 N CB -1.050 37.468 38.487 0.052 0.000 0.347 1442 N HN 0.602 nan 8.380 nan 0.000 0.618 1443 L N 1.659 122.832 121.223 -0.083 0.000 5.022 1443 L HA 0.172 4.509 4.340 -0.004 0.000 0.506 1443 L C 1.074 177.702 176.870 -0.404 0.000 0.878 1443 L CA -0.063 54.648 54.840 -0.216 0.000 1.998 1443 L CB -0.114 41.835 42.059 -0.182 0.000 1.806 1443 L HN 0.524 nan 8.230 nan 0.000 0.606 1444 N N 0.385 118.900 118.700 -0.309 0.000 2.131 1444 N HA -0.046 4.692 4.740 -0.004 0.000 0.190 1444 N C 0.428 175.800 175.510 -0.230 0.000 1.055 1444 N CA 0.288 53.087 53.050 -0.418 0.000 0.853 1444 N CB -0.117 38.252 38.487 -0.196 0.000 1.035 1444 N HN 0.016 nan 8.380 nan 0.000 0.440 1445 M N 2.822 122.402 119.600 -0.034 0.000 2.472 1445 M HA -0.127 4.351 4.480 -0.004 0.000 0.497 1445 M C -0.459 175.951 176.300 0.182 0.000 1.560 1445 M CA 0.117 55.463 55.300 0.077 0.000 0.894 1445 M CB -0.214 32.442 32.600 0.093 0.000 1.983 1445 M HN 0.033 nan 8.290 nan 0.000 0.521 1446 K N 3.978 124.487 120.400 0.180 0.000 3.048 1446 K HA -0.259 4.059 4.320 -0.004 0.000 0.228 1446 K C 0.457 177.219 176.600 0.270 0.000 1.047 1446 K CA 0.567 57.003 56.287 0.248 0.000 1.305 1446 K CB -1.015 31.577 32.500 0.154 0.000 1.359 1446 K HN 0.625 nan 8.250 nan 0.000 0.392 1447 Y N 1.775 122.193 120.300 0.197 0.000 2.387 1447 Y HA -0.277 4.270 4.550 -0.004 0.000 0.234 1447 Y C 2.212 178.140 175.900 0.047 0.000 1.007 1447 Y CA 2.143 60.315 58.100 0.120 0.000 1.012 1447 Y CB 0.019 38.611 38.460 0.220 0.000 1.017 1447 Y HN 0.558 nan 8.280 nan 0.000 0.486 1448 R N -0.343 120.320 120.500 0.272 0.000 4.002 1448 R HA -0.302 4.036 4.340 -0.004 0.000 0.443 1448 R C 1.452 177.681 176.300 -0.118 0.000 0.770 1448 R CA 2.111 58.237 56.100 0.044 0.000 1.648 1448 R CB -1.653 28.689 30.300 0.070 0.000 2.287 1448 R HN 0.548 nan 8.270 nan 0.000 0.454 1449 K N 0.246 120.550 120.400 -0.159 0.000 1.971 1449 K HA -0.065 4.252 4.320 -0.004 0.000 0.221 1449 K C 1.860 178.274 176.600 -0.311 0.000 1.050 1449 K CA 1.701 57.837 56.287 -0.252 0.000 0.967 1449 K CB -0.288 31.979 32.500 -0.387 0.000 0.733 1449 K HN 0.144 nan 8.250 nan 0.000 0.445 1450 R N 1.214 121.476 120.500 -0.397 0.000 2.226 1450 R HA -0.211 4.127 4.340 -0.004 0.000 0.246 1450 R C 2.313 178.109 176.300 -0.840 0.000 1.161 1450 R CA 1.734 57.496 56.100 -0.565 0.000 0.997 1450 R CB -0.393 29.556 30.300 -0.585 0.000 0.870 1450 R HN 0.453 nan 8.270 nan 0.000 0.465 1451 Q N 0.662 120.035 119.800 -0.710 0.000 1.941 1451 Q HA -0.076 4.261 4.340 -0.004 0.000 0.201 1451 Q C 2.062 177.930 176.000 -0.220 0.000 0.982 1451 Q CA 1.475 57.027 55.803 -0.419 0.000 0.839 1451 Q CB -0.767 27.870 28.738 -0.168 0.000 0.904 1451 Q HN 0.316 nan 8.270 nan 0.000 0.427 1452 L N 0.221 121.345 121.223 -0.165 0.000 2.127 1452 L HA -0.149 4.189 4.340 -0.004 0.000 0.211 1452 L C 1.950 178.753 176.870 -0.112 0.000 1.089 1452 L CA 0.835 55.610 54.840 -0.109 0.000 0.757 1452 L CB -0.202 41.803 42.059 -0.090 0.000 0.899 1452 L HN 0.228 nan 8.230 nan 0.000 0.434 1453 V N -1.266 118.554 119.914 -0.156 0.000 2.277 1453 V HA -0.284 3.834 4.120 -0.004 0.000 0.203 1453 V C 2.156 178.195 176.094 -0.091 0.000 0.984 1453 V CA 1.784 64.011 62.300 -0.122 0.000 1.076 1453 V CB -0.794 30.942 31.823 -0.143 0.000 0.681 1453 V HN 0.486 nan 8.190 nan 0.000 0.468 1454 T N 0.060 114.555 114.554 -0.099 0.000 1.924 1454 T HA -0.297 4.050 4.350 -0.004 0.000 0.152 1454 T C 0.996 175.708 174.700 0.018 0.000 1.902 1454 T CA 2.089 64.186 62.100 -0.005 0.000 1.015 1454 T CB -0.267 68.635 68.868 0.057 0.000 0.843 1454 T HN 0.354 nan 8.240 nan 0.000 0.389 1455 R N 0.933 121.456 120.500 0.038 0.000 2.726 1455 R HA 0.320 4.657 4.340 -0.004 0.000 0.272 1455 R C 1.405 177.693 176.300 -0.019 0.000 1.097 1455 R CA 0.547 56.661 56.100 0.024 0.000 1.198 1455 R CB 0.055 30.383 30.300 0.048 0.000 1.114 1455 R HN 0.668 nan 8.270 nan 0.000 0.550 1456 E N -1.964 118.215 120.200 -0.035 0.000 4.484 1456 E HA -0.278 4.070 4.350 -0.004 0.000 0.162 1456 E C 0.776 177.355 176.600 -0.034 0.000 0.911 1456 E CA 1.714 58.088 56.400 -0.043 0.000 2.591 1456 E CB -1.620 28.051 29.700 -0.048 0.000 1.589 1456 E HN 0.549 nan 8.360 nan 0.000 0.602 1457 A N 1.396 124.203 122.820 -0.022 0.000 3.051 1457 A HA -0.018 4.299 4.320 -0.004 0.000 0.187 1457 A C 1.833 179.428 177.584 0.019 0.000 1.690 1457 A CA 1.428 53.464 52.037 -0.003 0.000 0.677 1457 A CB -0.786 18.216 19.000 0.002 0.000 1.164 1457 A HN 0.254 nan 8.150 nan 0.000 0.473 1458 Q N -0.695 119.136 119.800 0.053 0.000 2.268 1458 Q HA -0.280 4.057 4.340 -0.004 0.000 0.213 1458 Q C 1.927 177.968 176.000 0.067 0.000 0.995 1458 Q CA 2.154 58.023 55.803 0.112 0.000 0.901 1458 Q CB -0.720 28.117 28.738 0.165 0.000 0.921 1458 Q HN 0.805 nan 8.270 nan 0.000 0.421 1459 I N -1.533 119.009 120.570 -0.045 0.000 2.162 1459 I HA -0.182 3.985 4.170 -0.004 0.000 0.238 1459 I C 1.850 177.864 176.117 -0.172 0.000 1.076 1459 I CA 1.443 62.617 61.300 -0.209 0.000 1.353 1459 I CB -0.414 37.472 38.000 -0.191 0.000 1.063 1459 I HN -0.170 nan 8.210 nan 0.000 0.408 1460 K N 0.739 121.084 120.400 -0.092 0.000 2.218 1460 K HA -0.183 4.135 4.320 -0.004 0.000 0.205 1460 K C 1.299 177.883 176.600 -0.027 0.000 1.046 1460 K CA 2.073 58.320 56.287 -0.066 0.000 0.933 1460 K CB -0.424 32.050 32.500 -0.043 0.000 0.728 1460 K HN 0.568 nan 8.250 nan 0.000 0.454 1461 D N -0.071 120.337 120.400 0.013 0.000 2.188 1461 D HA -0.108 4.530 4.640 -0.004 0.000 0.239 1461 D C 0.221 176.619 176.300 0.163 0.000 1.059 1461 D CA 0.139 54.186 54.000 0.078 0.000 0.931 1461 D CB -0.459 40.399 40.800 0.096 0.000 1.011 1461 D HN 0.295 nan 8.370 nan 0.000 0.424 1462 W N 1.801 123.108 121.300 0.012 0.000 2.873 1462 W HA 0.122 4.780 4.660 -0.004 0.000 0.393 1462 W C -0.564 175.964 176.519 0.016 0.000 1.283 1462 W CA -0.473 56.881 57.345 0.015 0.000 1.348 1462 W CB 0.156 29.627 29.460 0.019 0.000 1.475 1462 W HN -0.099 nan 8.180 nan 0.000 0.572 1463 V N 3.352 123.531 119.914 0.442 0.000 6.331 1463 V HA -0.218 3.899 4.120 -0.004 0.000 0.086 1463 V C 1.825 178.045 176.094 0.210 0.000 1.014 1463 V CA 0.728 63.074 62.300 0.076 0.000 0.611 1463 V CB -0.397 31.360 31.823 -0.109 0.000 0.828 1463 V HN 0.517 nan 8.190 nan 0.000 0.727 1464 E N 1.381 121.658 120.200 0.129 0.000 2.086 1464 E HA -0.345 4.002 4.350 -0.004 0.000 0.200 1464 E C 1.647 178.336 176.600 0.148 0.000 1.012 1464 E CA 2.061 58.522 56.400 0.102 0.000 0.812 1464 E CB -0.316 29.426 29.700 0.071 0.000 0.743 1464 E HN 0.678 nan 8.360 nan 0.000 0.453 1465 N N 1.120 119.944 118.700 0.208 0.000 2.069 1465 N HA -0.298 4.439 4.740 -0.004 0.000 0.196 1465 N C 1.761 177.367 175.510 0.160 0.000 1.024 1465 N CA 2.168 55.325 53.050 0.178 0.000 0.869 1465 N CB -0.119 38.496 38.487 0.214 0.000 1.035 1465 N HN 0.149 nan 8.380 nan 0.000 0.434 1466 E N 0.037 120.422 120.200 0.308 0.000 2.006 1466 E HA -0.072 4.275 4.350 -0.004 0.000 0.192 1466 E C 2.102 178.800 176.600 0.163 0.000 0.993 1466 E CA 1.207 57.757 56.400 0.250 0.000 0.808 1466 E CB -0.685 29.346 29.700 0.552 0.000 0.764 1466 E HN 0.446 nan 8.360 nan 0.000 0.449 1467 L N 0.982 122.300 121.223 0.158 0.000 2.125 1467 L HA -0.406 3.932 4.340 -0.004 0.000 0.234 1467 L C 2.765 179.682 176.870 0.079 0.000 1.110 1467 L CA 2.531 57.427 54.840 0.095 0.000 0.832 1467 L CB -0.793 41.307 42.059 0.068 0.000 0.922 1467 L HN 0.447 nan 8.230 nan 0.000 0.449 1468 E N -0.101 120.144 120.200 0.074 0.000 2.017 1468 E HA -0.276 4.071 4.350 -0.004 0.000 0.193 1468 E C 2.143 178.775 176.600 0.053 0.000 0.997 1468 E CA 1.252 57.685 56.400 0.055 0.000 0.804 1468 E CB -0.196 29.532 29.700 0.046 0.000 0.757 1468 E HN 0.465 nan 8.360 nan 0.000 0.448 1469 A N 1.484 124.334 122.820 0.050 0.000 2.104 1469 A HA -0.210 4.108 4.320 -0.004 0.000 0.223 1469 A C 2.229 179.851 177.584 0.064 0.000 1.164 1469 A CA 1.616 53.676 52.037 0.038 0.000 0.659 1469 A CB -0.763 18.244 19.000 0.011 0.000 0.808 1469 A HN 0.501 nan 8.150 nan 0.000 0.465 1470 L N -1.394 119.884 121.223 0.092 0.000 2.102 1470 L HA -0.050 4.288 4.340 -0.004 0.000 0.202 1470 L C 2.446 179.393 176.870 0.128 0.000 1.076 1470 L CA 1.535 56.464 54.840 0.147 0.000 0.761 1470 L CB -0.288 41.866 42.059 0.157 0.000 0.921 1470 L HN 0.217 nan 8.230 nan 0.000 0.444 1471 K N 0.510 120.964 120.400 0.089 0.000 2.218 1471 K HA -0.224 4.094 4.320 -0.004 0.000 0.205 1471 K C 2.082 178.702 176.600 0.033 0.000 1.046 1471 K CA 1.359 57.681 56.287 0.058 0.000 0.933 1471 K CB -0.756 31.770 32.500 0.043 0.000 0.728 1471 K HN 0.344 nan 8.250 nan 0.000 0.454 1472 L N 1.433 122.677 121.223 0.035 0.000 2.034 1472 L HA -0.223 4.114 4.340 -0.004 0.000 0.217 1472 L C 1.291 178.159 176.870 -0.003 0.000 1.077 1472 L CA 2.152 57.001 54.840 0.015 0.000 0.769 1472 L CB -0.547 41.523 42.059 0.019 0.000 0.890 1472 L HN 0.303 nan 8.230 nan 0.000 0.435 1473 E N -1.121 119.078 120.200 -0.002 0.000 2.476 1473 E HA 0.133 4.481 4.350 -0.004 0.000 0.199 1473 E C 1.599 178.130 176.600 -0.115 0.000 1.021 1473 E CA 0.350 56.708 56.400 -0.069 0.000 0.907 1473 E CB 0.347 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 2.421 125.223 122.820 -0.030 0.000 2.904 1474 A HA -0.382 3.935 4.320 -0.004 0.000 0.371 1474 A C 1.675 179.197 177.584 -0.104 0.000 1.216 1474 A CA 2.090 54.120 52.037 -0.011 0.000 1.329 1474 A CB -0.791 18.210 19.000 0.001 0.000 0.722 1474 A HN 0.242 nan 8.150 nan 0.000 0.457 1475 E N -0.426 119.726 120.200 -0.080 0.000 1.987 1475 E HA 0.038 4.386 4.350 -0.004 0.000 0.198 1475 E C 0.786 177.286 176.600 -0.166 0.000 0.968 1475 E CA 1.072 57.408 56.400 -0.106 0.000 0.867 1475 E CB -0.626 29.039 29.700 -0.058 0.000 0.819 1475 E HN 0.744 nan 8.360 nan 0.000 0.516 1476 E N 0.123 120.254 120.200 -0.114 0.000 2.560 1476 E HA -0.233 4.114 4.350 -0.004 0.000 0.158 1476 E C 0.588 177.101 176.600 -0.145 0.000 1.709 1476 E CA 0.939 57.269 56.400 -0.117 0.000 0.653 1476 E CB -2.093 27.534 29.700 -0.123 0.000 1.090 1476 E HN 0.560 nan 8.360 nan 0.000 0.355 1477 I N -2.231 118.276 120.570 -0.104 0.000 2.663 1477 I HA -0.204 3.964 4.170 -0.004 0.000 0.264 1477 I C -1.421 174.648 176.117 -0.080 0.000 0.445 1477 I CA 0.599 61.846 61.300 -0.089 0.000 0.725 1477 I CB -2.509 35.434 38.000 -0.095 0.000 4.108 1477 I HN 0.451 nan 8.210 nan 0.000 1.109 1478 P HA 0.467 nan 4.420 nan 0.000 0.318 1478 P C 0.688 177.966 177.300 -0.037 0.000 1.387 1478 P CA 1.651 64.713 63.100 -0.063 0.000 0.865 1478 P CB 0.962 32.615 31.700 -0.079 0.000 2.164 1479 S N -2.817 112.871 115.700 -0.021 0.000 1.235 1479 S HA -0.098 4.370 4.470 -0.004 0.000 0.253 1479 S C 1.288 175.891 174.600 0.004 0.000 0.633 1479 S CA 0.288 58.483 58.200 -0.009 0.000 0.973 1479 S CB -1.831 61.362 63.200 -0.011 0.000 0.934 1479 S HN 0.411 nan 8.310 nan 0.000 0.485 1480 E N 1.377 121.582 120.200 0.009 0.000 2.290 1480 E HA 0.182 4.530 4.350 -0.004 0.000 0.197 1480 E C 0.276 176.895 176.600 0.032 0.000 0.948 1480 E CA 0.678 57.088 56.400 0.018 0.000 0.895 1480 E CB -0.117 29.593 29.700 0.015 0.000 0.865 1480 E HN 0.617 nan 8.360 nan 0.000 0.486 1481 D N 1.299 121.721 120.400 0.037 0.000 2.378 1481 D HA -0.091 4.547 4.640 -0.004 0.000 0.227 1481 D C 1.587 177.955 176.300 0.113 0.000 1.012 1481 D CA 0.289 54.334 54.000 0.075 0.000 0.905 1481 D CB 0.125 40.968 40.800 0.070 0.000 0.895 1481 D HN 0.111 nan 8.370 nan 0.000 0.532 1482 Q N 0.553 120.397 119.800 0.073 0.000 1.948 1482 Q HA -0.237 4.100 4.340 -0.004 0.000 0.205 1482 Q C 1.847 177.908 176.000 0.101 0.000 0.992 1482 Q CA 1.287 57.143 55.803 0.087 0.000 0.849 1482 Q CB 0.038 28.803 28.738 0.046 0.000 0.918 1482 Q HN 0.170 nan 8.270 nan 0.000 0.421 1483 N N 0.328 119.064 118.700 0.060 0.000 2.037 1483 N HA -0.242 4.495 4.740 -0.004 0.000 0.196 1483 N C 1.679 177.212 175.510 0.039 0.000 1.034 1483 N CA 1.698 54.772 53.050 0.039 0.000 0.861 1483 N CB -0.342 38.159 38.487 0.024 0.000 1.039 1483 N HN 0.405 nan 8.380 nan 0.000 0.427 1484 E N -0.066 120.168 120.200 0.056 0.000 2.000 1484 E HA -0.220 4.127 4.350 -0.004 0.000 0.199 1484 E C 2.051 178.680 176.600 0.050 0.000 1.011 1484 E CA 1.151 57.581 56.400 0.049 0.000 0.836 1484 E CB -0.480 29.265 29.700 0.074 0.000 0.778 1484 E HN 0.283 nan 8.360 nan 0.000 0.462 1485 F N 1.259 121.205 119.950 -0.006 0.000 2.091 1485 F HA -0.261 4.263 4.527 -0.004 0.000 0.299 1485 F C 2.248 178.041 175.800 -0.012 0.000 1.103 1485 F CA 1.355 59.352 58.000 -0.004 0.000 1.228 1485 F CB -0.233 38.768 39.000 0.001 0.000 0.984 1485 F HN 0.163 nan 8.300 nan 0.000 0.477 1486 L N 0.495 121.839 121.223 0.202 0.000 1.970 1486 L HA -0.235 4.103 4.340 -0.004 0.000 0.212 1486 L C 2.376 179.197 176.870 -0.082 0.000 1.071 1486 L CA 1.985 56.882 54.840 0.095 0.000 0.751 1486 L CB -1.289 40.838 42.059 0.113 0.000 0.889 1486 L HN 0.291 nan 8.230 nan 0.000 0.432 1487 L N -0.481 120.695 121.223 -0.079 0.000 2.191 1487 L HA -0.232 4.106 4.340 -0.004 0.000 0.212 1487 L C 2.384 179.115 176.870 -0.232 0.000 1.103 1487 L CA 0.783 55.545 54.840 -0.131 0.000 0.769 1487 L CB -0.294 41.703 42.059 -0.103 0.000 0.908 1487 L HN 0.335 nan 8.230 nan 0.000 0.438 1488 E N 0.773 120.811 120.200 -0.270 0.000 1.996 1488 E HA -0.201 4.147 4.350 -0.004 0.000 0.197 1488 E C 2.253 178.667 176.600 -0.310 0.000 1.002 1488 E CA 1.499 57.705 56.400 -0.322 0.000 0.840 1488 E CB -0.050 29.465 29.700 -0.307 0.000 0.786 1488 E HN 0.159 nan 8.360 nan 0.000 0.469 1489 R N -0.347 119.941 120.500 -0.353 0.000 2.105 1489 R HA -0.144 4.194 4.340 -0.004 0.000 0.239 1489 R C 2.577 178.801 176.300 -0.127 0.000 1.135 1489 R CA 1.562 57.528 56.100 -0.223 0.000 0.967 1489 R CB -0.945 29.197 30.300 -0.264 0.000 0.861 1489 R HN 0.319 nan 8.270 nan 0.000 0.442 1490 T N 0.139 114.610 114.554 -0.139 0.000 2.718 1490 T HA -0.270 4.078 4.350 -0.004 0.000 0.266 1490 T C 1.798 176.476 174.700 -0.035 0.000 1.033 1490 T CA 2.044 64.101 62.100 -0.071 0.000 1.151 1490 T CB -0.060 68.760 68.868 -0.079 0.000 0.853 1490 T HN 0.346 nan 8.240 nan 0.000 0.466 1491 R N -0.480 119.978 120.500 -0.069 0.000 2.225 1491 R HA 0.228 4.566 4.340 -0.004 0.000 0.194 1491 R C 2.168 178.489 176.300 0.035 0.000 0.949 1491 R CA 0.510 56.623 56.100 0.022 0.000 1.088 1491 R CB -0.040 30.228 30.300 -0.053 0.000 1.106 1491 R HN 0.385 nan 8.270 nan 0.000 0.566 1492 E N 1.458 121.641 120.200 -0.027 0.000 2.510 1492 E HA -0.121 4.227 4.350 -0.004 0.000 0.202 1492 E C 1.502 178.146 176.600 0.074 0.000 1.072 1492 E CA 0.921 57.368 56.400 0.078 0.000 0.883 1492 E CB 0.031 29.785 29.700 0.089 0.000 0.818 1492 E HN 0.625 nan 8.360 nan 0.000 0.548 1493 I N -4.227 116.388 120.570 0.076 0.000 3.718 1493 I HA 0.024 4.192 4.170 -0.004 0.000 0.297 1493 I C 2.413 178.607 176.117 0.128 0.000 1.220 1493 I CA 0.016 61.384 61.300 0.115 0.000 1.381 1493 I CB -0.718 37.355 38.000 0.121 0.000 1.238 1493 I HN 0.047 nan 8.210 nan 0.000 0.448 1494 H N 2.334 121.401 119.070 -0.006 0.000 2.357 1494 H HA -0.213 4.340 4.556 -0.004 0.000 0.296 1494 H C 1.862 177.177 175.328 -0.022 0.000 1.108 1494 H CA 2.184 58.216 56.048 -0.027 0.000 1.273 1494 H CB 0.114 29.857 29.762 -0.031 0.000 1.367 1494 H HN 0.376 nan 8.280 nan 0.000 0.498 1495 N N 0.517 119.203 118.700 -0.024 0.000 2.058 1495 N HA -0.159 4.579 4.740 -0.004 0.000 0.191 1495 N C 1.908 177.407 175.510 -0.018 0.000 1.037 1495 N CA 1.346 54.341 53.050 -0.092 0.000 0.848 1495 N CB -0.382 38.085 38.487 -0.033 0.000 1.021 1495 N HN 0.413 nan 8.380 nan 0.000 0.422 1496 E N 1.036 121.260 120.200 0.041 0.000 2.164 1496 E HA -0.206 4.142 4.350 -0.004 0.000 0.206 1496 E C 1.717 178.306 176.600 -0.018 0.000 1.032 1496 E CA 1.585 58.026 56.400 0.068 0.000 0.832 1496 E CB -0.479 29.324 29.700 0.173 0.000 0.742 1496 E HN 0.397 nan 8.360 nan 0.000 0.460 1497 A N 0.450 123.234 122.820 -0.060 0.000 1.823 1497 A HA -0.285 4.032 4.320 -0.004 0.000 0.214 1497 A C 2.132 179.661 177.584 -0.091 0.000 1.227 1497 A CA 1.849 53.798 52.037 -0.147 0.000 0.616 1497 A CB -1.161 17.797 19.000 -0.069 0.000 0.874 1497 A HN 0.376 nan 8.150 nan 0.000 0.455 1498 E N -0.494 119.688 120.200 -0.029 0.000 2.245 1498 E HA -0.312 4.035 4.350 -0.004 0.000 0.217 1498 E C 2.132 178.702 176.600 -0.050 0.000 1.069 1498 E CA 1.915 58.292 56.400 -0.038 0.000 0.877 1498 E CB -0.283 29.376 29.700 -0.068 0.000 0.757 1498 E HN 0.540 nan 8.360 nan 0.000 0.464 1499 S N -0.355 115.316 115.700 -0.047 0.000 2.378 1499 S HA -0.275 4.193 4.470 -0.004 0.000 0.221 1499 S C 1.992 176.575 174.600 -0.029 0.000 1.037 1499 S CA 1.699 59.881 58.200 -0.029 0.000 1.069 1499 S CB -0.357 62.838 63.200 -0.009 0.000 1.006 1499 S HN 0.376 nan 8.310 nan 0.000 0.423 1500 Q N 0.379 120.154 119.800 -0.041 0.000 2.173 1500 Q HA -0.175 4.163 4.340 -0.004 0.000 0.208 1500 Q C 2.239 178.212 176.000 -0.045 0.000 0.989 1500 Q CA 1.611 57.388 55.803 -0.043 0.000 0.872 1500 Q CB -0.546 28.121 28.738 -0.118 0.000 0.909 1500 Q HN 0.624 nan 8.270 nan 0.000 0.420 1501 L N 0.210 121.394 121.223 -0.065 0.000 1.976 1501 L HA -0.245 4.092 4.340 -0.004 0.000 0.209 1501 L C 2.634 179.492 176.870 -0.020 0.000 1.071 1501 L CA 1.359 56.171 54.840 -0.048 0.000 0.746 1501 L CB -0.207 41.820 42.059 -0.053 0.000 0.890 1501 L HN 0.184 nan 8.230 nan 0.000 0.432 1502 R N 0.052 120.538 120.500 -0.024 0.000 2.082 1502 R HA -0.160 4.178 4.340 -0.004 0.000 0.234 1502 R C 2.228 178.522 176.300 -0.010 0.000 1.136 1502 R CA 1.506 57.594 56.100 -0.019 0.000 0.935 1502 R CB -1.293 28.991 30.300 -0.027 0.000 0.842 1502 R HN 0.533 nan 8.270 nan 0.000 0.430 1503 A N 1.329 124.144 122.820 -0.009 0.000 1.985 1503 A HA -0.283 4.034 4.320 -0.004 0.000 0.223 1503 A C 2.372 179.965 177.584 0.016 0.000 1.189 1503 A CA 2.520 54.554 52.037 -0.005 0.000 0.658 1503 A CB -0.703 18.300 19.000 0.005 0.000 0.820 1503 A HN 0.470 nan 8.150 nan 0.000 0.464 1504 A N -1.291 121.556 122.820 0.045 0.000 1.825 1504 A HA -0.170 4.148 4.320 -0.004 0.000 0.214 1504 A C 2.011 179.661 177.584 0.111 0.000 1.206 1504 A CA 1.498 53.606 52.037 0.118 0.000 0.609 1504 A CB -0.826 18.234 19.000 0.101 0.000 0.851 1504 A HN 0.601 nan 8.150 nan 0.000 0.445 1505 Q N -0.649 119.183 119.800 0.054 0.000 2.224 1505 Q HA -0.350 3.987 4.340 -0.004 0.000 0.213 1505 Q C 2.284 178.281 176.000 -0.005 0.000 0.998 1505 Q CA 2.125 57.942 55.803 0.024 0.000 0.895 1505 Q CB -0.330 28.402 28.738 -0.009 0.000 0.926 1505 Q HN 0.766 nan 8.270 nan 0.000 0.417 1506 Q N 0.693 120.479 119.800 -0.023 0.000 1.948 1506 Q HA -0.151 4.186 4.340 -0.004 0.000 0.205 1506 Q C 0.641 176.562 176.000 -0.132 0.000 0.992 1506 Q CA 1.065 56.823 55.803 -0.075 0.000 0.849 1506 Q CB 0.040 28.733 28.738 -0.075 0.000 0.918 1506 Q HN 0.369 nan 8.270 nan 0.000 0.421 1507 Q N -0.576 119.137 119.800 -0.144 0.000 2.392 1507 Q HA -0.082 4.256 4.340 -0.004 0.000 0.262 1507 Q C -1.288 174.608 176.000 -0.174 0.000 1.003 1507 Q CA -0.092 55.504 55.803 -0.345 0.000 0.888 1507 Q CB 0.445 28.828 28.738 -0.591 0.000 1.260 1507 Q HN 0.212 nan 8.270 nan 0.000 0.435 1508 W N 2.303 123.442 121.300 -0.268 0.000 3.103 1508 W HA -0.216 4.442 4.660 -0.004 0.000 0.449 1508 W C 0.670 176.703 176.519 -0.810 0.000 1.840 1508 W CA 0.977 57.978 57.345 -0.573 0.000 0.465 1508 W CB -1.972 27.405 29.460 -0.138 0.000 2.860 1508 W HN 1.080 nan 8.180 nan 0.000 0.428 1509 G N 0.430 108.415 108.800 -1.358 0.000 3.211 1509 G HA2 -0.357 3.600 3.960 -0.004 0.000 0.206 1509 G HA3 -0.357 3.600 3.960 -0.004 0.000 0.206 1509 G C 1.010 175.749 174.900 -0.269 0.000 1.418 1509 G CA 0.489 45.235 45.100 -0.591 0.000 0.958 1509 G HN 0.406 nan 8.290 nan 0.000 0.567 1510 N N 1.355 119.926 118.700 -0.214 0.000 2.178 1510 N HA 0.086 4.824 4.740 -0.004 0.000 0.189 1510 N C 0.478 175.866 175.510 -0.204 0.000 1.048 1510 N CA 1.430 54.408 53.050 -0.119 0.000 0.855 1510 N CB -0.158 38.264 38.487 -0.107 0.000 1.028 1510 N HN 0.439 nan 8.380 nan 0.000 0.441 1511 D N 0.492 120.720 120.400 -0.287 0.000 2.895 1511 D HA 0.103 4.740 4.640 -0.004 0.000 0.258 1511 D C 0.831 176.927 176.300 -0.340 0.000 1.311 1511 D CA -0.352 53.400 54.000 -0.414 0.000 0.843 1511 D CB -0.126 40.478 40.800 -0.326 0.000 1.055 1511 D HN -0.026 nan 8.370 nan 0.000 0.486 1512 F N 1.728 121.536 119.950 -0.237 0.000 2.067 1512 F HA -0.351 4.174 4.527 -0.004 0.000 0.295 1512 F C 1.989 177.717 175.800 -0.120 0.000 1.142 1512 F CA 1.624 59.571 58.000 -0.088 0.000 1.230 1512 F CB -1.232 37.886 39.000 0.196 0.000 0.941 1512 F HN 0.193 nan 8.300 nan 0.000 0.518 1513 Y N -1.346 119.045 120.300 0.151 0.000 2.806 1513 Y HA 0.079 4.627 4.550 -0.004 0.000 0.216 1513 Y C 2.302 178.196 175.900 -0.011 0.000 0.928 1513 Y CA -0.016 58.101 58.100 0.028 0.000 0.941 1513 Y CB -1.495 36.981 38.460 0.027 0.000 1.058 1513 Y HN 0.204 nan 8.280 nan 0.000 0.498 1514 K N -1.221 119.153 120.400 -0.043 0.000 10.798 1514 K HA -0.350 3.968 4.320 -0.004 0.000 0.503 1514 K C 1.549 178.170 176.600 0.034 0.000 0.503 1514 K CA 1.686 57.925 56.287 -0.080 0.000 1.825 1514 K CB -1.471 30.906 32.500 -0.205 0.000 0.782 1514 K HN 0.557 nan 8.250 nan 0.000 1.210 1515 R N 1.021 121.514 120.500 -0.011 0.000 1.167 1515 R HA 0.007 4.345 4.340 -0.004 0.000 0.087 1515 R C -0.034 176.282 176.300 0.027 0.000 0.646 1515 R CA 0.745 56.848 56.100 0.004 0.000 1.985 1515 R CB -0.595 29.689 30.300 -0.027 0.000 0.553 1515 R HN 0.640 nan 8.270 nan 0.000 0.746 1516 D N 1.227 121.626 120.400 -0.001 0.000 3.164 1516 D HA -0.079 4.559 4.640 -0.004 0.000 0.200 1516 D C -1.623 174.658 176.300 -0.032 0.000 1.222 1516 D CA -0.146 53.846 54.000 -0.015 0.000 0.871 1516 D CB 0.338 41.133 40.800 -0.008 0.000 0.831 1516 D HN 0.205 nan 8.370 nan 0.000 0.389 1517 P HA -0.187 nan 4.420 nan 0.000 0.234 1517 P C 1.154 178.317 177.300 -0.229 0.000 1.162 1517 P CA 0.597 63.644 63.100 -0.088 0.000 0.759 1517 P CB 0.174 31.836 31.700 -0.063 0.000 0.813 1518 R N 0.356 120.714 120.500 -0.238 0.000 2.316 1518 R HA 0.128 4.466 4.340 -0.004 0.000 0.202 1518 R C 0.565 176.442 176.300 -0.705 0.000 1.029 1518 R CA 0.346 56.214 56.100 -0.387 0.000 1.018 1518 R CB -0.498 29.680 30.300 -0.202 0.000 0.888 1518 R HN 0.132 nan 8.270 nan 0.000 0.471 1519 I N -1.448 118.848 120.570 -0.457 0.000 2.667 1519 I HA 0.237 4.405 4.170 -0.004 0.000 0.291 1519 I C -2.020 174.077 176.117 -0.034 0.000 1.722 1519 I CA 0.322 61.434 61.300 -0.313 0.000 1.075 1519 I CB 1.128 39.042 38.000 -0.144 0.000 1.591 1519 I HN -0.004 nan 8.210 nan 0.000 0.471 1520 A N 8.350 131.205 122.820 0.059 0.000 2.639 1520 A HA 0.593 4.911 4.320 -0.004 0.000 0.221 1520 A C -2.814 174.861 177.584 0.151 0.000 0.879 1520 A CA -0.239 51.908 52.037 0.183 0.000 1.189 1520 A CB 0.219 19.349 19.000 0.216 0.000 1.231 1520 A HN 0.567 nan 8.150 nan 0.000 0.457 1521 P HA 0.477 nan 4.420 nan 0.000 0.303 1521 P C 0.588 177.844 177.300 -0.074 0.000 1.272 1521 P CA -0.159 62.962 63.100 0.035 0.000 0.787 1521 P CB 0.345 32.095 31.700 0.083 0.000 1.979 1522 L N -0.218 120.964 121.223 -0.068 0.000 2.023 1522 L HA 0.116 4.454 4.340 -0.004 0.000 0.205 1522 L C 3.011 179.777 176.870 -0.174 0.000 1.073 1522 L CA 1.650 56.431 54.840 -0.099 0.000 0.745 1522 L CB -1.743 40.271 42.059 -0.075 0.000 0.900 1522 L HN 0.218 nan 8.230 nan 0.000 0.435 1523 R N -0.000 120.402 120.500 -0.163 0.000 2.159 1523 R HA -0.264 4.074 4.340 -0.004 0.000 0.252 1523 R C 2.160 178.258 176.300 -0.338 0.000 1.144 1523 R CA 1.849 57.837 56.100 -0.188 0.000 0.961 1523 R CB -0.989 29.235 30.300 -0.127 0.000 0.877 1523 R HN 0.521 nan 8.270 nan 0.000 0.444 1524 G N -0.243 108.221 108.800 -0.558 0.000 2.719 1524 G HA2 -0.387 3.570 3.960 -0.004 0.000 0.219 1524 G HA3 -0.387 3.570 3.960 -0.004 0.000 0.219 1524 G C 1.453 175.765 174.900 -0.980 0.000 1.234 1524 G CA 1.578 45.780 45.100 -1.496 0.000 0.788 1524 G HN 0.552 nan 8.290 nan 0.000 0.619 1525 A N 0.112 122.701 122.820 -0.384 0.000 1.877 1525 A HA 0.090 4.407 4.320 -0.004 0.000 0.216 1525 A C 2.193 179.650 177.584 -0.212 0.000 1.186 1525 A CA 1.497 53.466 52.037 -0.113 0.000 0.620 1525 A CB -0.445 18.524 19.000 -0.052 0.000 0.822 1525 A HN 0.307 nan 8.150 nan 0.000 0.443 1526 L N -0.581 120.526 121.223 -0.194 0.000 2.651 1526 L HA -0.091 4.247 4.340 -0.004 0.000 0.236 1526 L C 2.158 178.954 176.870 -0.125 0.000 1.173 1526 L CA 1.282 56.033 54.840 -0.147 0.000 0.843 1526 L CB -2.254 39.738 42.059 -0.112 0.000 0.964 1526 L HN 0.513 nan 8.230 nan 0.000 0.454 1527 A N -0.887 121.848 122.820 -0.141 0.000 2.383 1527 A HA -0.001 4.316 4.320 -0.004 0.000 0.225 1527 A C 1.159 178.794 177.584 0.085 0.000 1.946 1527 A CA 0.592 52.605 52.037 -0.041 0.000 0.739 1527 A CB -0.837 18.125 19.000 -0.064 0.000 1.405 1527 A HN 0.270 nan 8.150 nan 0.000 0.548 1528 T N 0.357 115.064 114.554 0.255 0.000 2.525 1528 T HA -0.018 4.329 4.350 -0.004 0.000 0.239 1528 T C 0.816 175.524 174.700 0.013 0.000 1.047 1528 T CA 1.423 63.725 62.100 0.337 0.000 1.215 1528 T CB -1.058 67.982 68.868 0.287 0.000 1.025 1528 T HN 1.381 nan 8.240 nan 0.000 0.487 1529 Y N 1.437 121.868 120.300 0.219 0.000 2.662 1529 Y HA -0.387 4.161 4.550 -0.004 0.000 0.485 1529 Y C 1.194 177.185 175.900 0.152 0.000 0.993 1529 Y CA 1.392 59.578 58.100 0.144 0.000 3.171 1529 Y CB -2.264 36.271 38.460 0.124 0.000 0.961 1529 Y HN 1.238 nan 8.280 nan 0.000 0.582 1530 G N 3.422 112.209 108.800 -0.021 0.000 2.866 1530 G HA2 0.002 3.960 3.960 -0.004 0.000 0.339 1530 G HA3 0.002 3.960 3.960 -0.004 0.000 0.339 1530 G C 0.330 175.311 174.900 0.134 0.000 0.181 1530 G CA 0.434 45.574 45.100 0.068 0.000 1.226 1530 G HN 0.744 nan 8.290 nan 0.000 0.395 1531 L N 2.384 123.759 121.223 0.254 0.000 2.238 1531 L HA 0.236 4.574 4.340 -0.004 0.000 0.163 1531 L C 2.183 179.107 176.870 0.089 0.000 0.795 1531 L CA 1.568 56.492 54.840 0.140 0.000 1.402 1531 L CB -0.565 41.585 42.059 0.151 0.000 1.595 1531 L HN 0.896 nan 8.230 nan 0.000 0.431 1532 T N 1.008 115.604 114.554 0.070 0.000 2.334 1532 T HA -0.200 4.148 4.350 -0.004 0.000 0.575 1532 T C 1.568 176.266 174.700 -0.004 0.000 1.026 1532 T CA 0.377 62.492 62.100 0.023 0.000 3.786 1532 T CB -0.709 68.169 68.868 0.017 0.000 0.850 1532 T HN 0.339 nan 8.240 nan 0.000 0.237 1533 I N 3.317 123.876 120.570 -0.019 0.000 2.285 1533 I HA -0.206 3.961 4.170 -0.004 0.000 0.254 1533 I C 1.299 177.376 176.117 -0.067 0.000 1.093 1533 I CA 2.340 63.613 61.300 -0.045 0.000 1.368 1533 I CB -0.759 37.211 38.000 -0.049 0.000 1.054 1533 I HN 0.948 nan 8.210 nan 0.000 0.435 1534 D N -0.584 119.778 120.400 -0.063 0.000 3.171 1534 D HA 0.164 4.801 4.640 -0.004 0.000 0.240 1534 D C -0.761 175.492 176.300 -0.078 0.000 1.432 1534 D CA -0.322 53.632 54.000 -0.078 0.000 0.892 1534 D CB -0.375 40.363 40.800 -0.103 0.000 1.499 1534 D HN 0.125 nan 8.370 nan 0.000 0.597 1535 D N 1.359 121.723 120.400 -0.059 0.000 2.429 1535 D HA 0.249 4.886 4.640 -0.004 0.000 0.255 1535 D C 0.794 177.064 176.300 -0.049 0.000 1.257 1535 D CA -0.428 53.532 54.000 -0.066 0.000 0.890 1535 D CB 0.833 41.599 40.800 -0.056 0.000 1.267 1535 D HN 0.074 nan 8.370 nan 0.000 0.521 1536 L N 1.636 122.825 121.223 -0.057 0.000 2.004 1536 L HA 0.495 4.833 4.340 -0.004 0.000 0.205 1536 L C 2.164 179.009 176.870 -0.042 0.000 1.089 1536 L CA 1.016 55.828 54.840 -0.046 0.000 0.756 1536 L CB -0.886 41.145 42.059 -0.047 0.000 0.900 1536 L HN 0.522 nan 8.230 nan 0.000 0.440 1537 G N -1.536 107.240 108.800 -0.041 0.000 2.148 1537 G HA2 -0.103 3.854 3.960 -0.004 0.000 0.203 1537 G HA3 -0.103 3.854 3.960 -0.004 0.000 0.203 1537 G C 0.252 175.147 174.900 -0.009 0.000 0.993 1537 G CA 0.262 45.343 45.100 -0.033 0.000 0.661 1537 G HN 0.506 nan 8.290 nan 0.000 0.518 1538 V N -3.888 116.030 119.914 0.007 0.000 6.590 1538 V HA 0.978 5.095 4.120 -0.004 0.000 0.138 1538 V C 1.131 177.273 176.094 0.081 0.000 1.352 1538 V CA 0.442 62.760 62.300 0.031 0.000 1.047 1538 V CB 0.314 32.147 31.823 0.016 0.000 2.186 1538 V HN 2.293 nan 8.190 nan 0.000 0.323 1539 A N 0.867 123.725 122.820 0.064 0.000 2.412 1539 A HA 0.096 4.414 4.320 -0.004 0.000 0.676 1539 A C 0.819 178.543 177.584 0.235 0.000 0.183 1539 A CA 0.479 52.558 52.037 0.070 0.000 0.107 1539 A CB -1.910 17.064 19.000 -0.043 0.000 3.914 1539 A HN 2.242 nan 8.150 nan 0.000 0.540 1540 S N 1.944 117.761 115.700 0.195 0.000 2.547 1540 S HA 0.219 4.687 4.470 -0.004 0.000 0.235 1540 S C 1.268 176.194 174.600 0.544 0.000 0.980 1540 S CA 1.537 59.905 58.200 0.280 0.000 0.941 1540 S CB -0.703 62.630 63.200 0.222 0.000 0.763 1540 S HN 1.951 nan 8.310 nan 0.000 0.532 1541 F N 0.718 120.792 119.950 0.206 0.000 2.555 1541 F HA -0.401 4.123 4.527 -0.004 0.000 0.693 1541 F C 1.481 177.455 175.800 0.289 0.000 0.487 1541 F CA 2.146 60.321 58.000 0.291 0.000 0.748 1541 F CB -1.517 37.839 39.000 0.593 0.000 1.624 1541 F HN 0.599 nan 8.300 nan 0.000 0.266 1542 H N -1.530 117.758 119.070 0.364 0.000 4.035 1542 H HA -0.143 4.411 4.556 -0.004 0.000 0.138 1542 H C 0.841 176.271 175.328 0.171 0.000 0.736 1542 H CA 1.270 57.429 56.048 0.185 0.000 1.252 1542 H CB -1.588 28.195 29.762 0.035 0.000 0.742 1542 H HN 1.099 nan 8.280 nan 0.000 0.535 1543 G N 2.775 111.772 108.800 0.328 0.000 2.317 1543 G HA2 0.020 3.977 3.960 -0.004 0.000 0.286 1543 G HA3 0.020 3.977 3.960 -0.004 0.000 0.286 1543 G C 1.308 176.169 174.900 -0.065 0.000 0.839 1543 G CA 0.998 46.173 45.100 0.126 0.000 1.389 1543 G HN 0.878 nan 8.290 nan 0.000 0.344 1544 T N -0.143 114.336 114.554 -0.123 0.000 3.438 1544 T HA -0.051 4.296 4.350 -0.004 0.000 0.263 1544 T C 1.713 176.409 174.700 -0.006 0.000 1.199 1544 T CA 1.097 63.114 62.100 -0.138 0.000 1.019 1544 T CB -0.360 68.345 68.868 -0.271 0.000 0.942 1544 T HN 1.587 nan 8.240 nan 0.000 0.562 1545 S N -0.855 114.805 115.700 -0.067 0.000 3.011 1545 S HA -0.288 4.180 4.470 -0.004 0.000 0.278 1545 S C 1.226 175.819 174.600 -0.012 0.000 1.300 1545 S CA 1.851 60.011 58.200 -0.067 0.000 1.248 1545 S CB -2.450 60.750 63.200 0.000 0.000 1.517 1545 S HN 0.913 nan 8.310 nan 0.000 0.685 1546 T N 0.679 115.244 114.554 0.019 0.000 3.035 1546 T HA 0.061 4.409 4.350 -0.004 0.000 0.268 1546 T C 1.107 175.807 174.700 -0.000 0.000 1.109 1546 T CA 1.863 63.996 62.100 0.055 0.000 1.119 1546 T CB -0.592 68.313 68.868 0.062 0.000 0.900 1546 T HN 0.708 nan 8.240 nan 0.000 0.503 1547 K N -0.490 119.880 120.400 -0.051 0.000 2.817 1547 K HA -0.298 4.020 4.320 -0.004 0.000 0.241 1547 K C 0.845 177.420 176.600 -0.041 0.000 0.931 1547 K CA 0.714 56.952 56.287 -0.082 0.000 0.696 1547 K CB -1.165 31.262 32.500 -0.122 0.000 1.235 1547 K HN 0.565 nan 8.250 nan 0.000 0.483 1548 A N -0.169 122.640 122.820 -0.018 0.000 2.259 1548 A HA 0.023 4.340 4.320 -0.004 0.000 0.213 1548 A C 1.465 179.036 177.584 -0.021 0.000 1.209 1548 A CA 0.441 52.470 52.037 -0.012 0.000 0.910 1548 A CB 0.022 19.023 19.000 0.001 0.000 0.946 1548 A HN 0.599 nan 8.150 nan 0.000 0.497 1549 N N -0.185 118.508 118.700 -0.012 0.000 2.510 1549 N HA -0.074 4.664 4.740 -0.004 0.000 0.186 1549 N C 0.452 176.003 175.510 0.068 0.000 1.051 1549 N CA 1.114 54.159 53.050 -0.008 0.000 0.877 1549 N CB -0.223 38.276 38.487 0.019 0.000 1.183 1549 N HN 0.067 nan 8.380 nan 0.000 0.443 1550 D N 1.988 122.419 120.400 0.051 0.000 2.127 1550 D HA -0.221 4.417 4.640 -0.004 0.000 0.190 1550 D C 1.753 178.122 176.300 0.115 0.000 1.000 1550 D CA 1.443 55.476 54.000 0.055 0.000 0.839 1550 D CB -0.217 40.501 40.800 -0.138 0.000 0.955 1550 D HN 0.417 nan 8.370 nan 0.000 0.446 1551 K N 0.643 121.073 120.400 0.050 0.000 1.974 1551 K HA -0.202 4.116 4.320 -0.004 0.000 0.229 1551 K C 0.914 177.588 176.600 0.123 0.000 1.038 1551 K CA 1.172 57.509 56.287 0.084 0.000 1.034 1551 K CB -0.475 32.046 32.500 0.035 0.000 0.742 1551 K HN 0.041 nan 8.250 nan 0.000 0.446 1552 N N 1.699 120.427 118.700 0.047 0.000 2.374 1552 N HA -0.150 4.588 4.740 -0.004 0.000 0.298 1552 N C 0.149 175.698 175.510 0.065 0.000 1.273 1552 N CA 1.391 54.444 53.050 0.004 0.000 1.093 1552 N CB 0.038 38.459 38.487 -0.109 0.000 1.486 1552 N HN 0.612 nan 8.380 nan 0.000 0.488 1553 E N 0.123 120.462 120.200 0.230 0.000 1.813 1553 E HA -0.044 4.303 4.350 -0.004 0.000 0.256 1553 E C -0.510 176.318 176.600 0.379 0.000 1.062 1553 E CA -0.233 56.414 56.400 0.412 0.000 1.754 1553 E CB -0.950 29.111 29.700 0.602 0.000 3.730 1553 E HN 0.182 nan 8.360 nan 0.000 0.961 1554 S N 0.767 116.799 115.700 0.553 0.000 3.120 1554 S HA 0.499 4.967 4.470 -0.004 0.000 0.259 1554 S C 0.035 174.853 174.600 0.363 0.000 1.191 1554 S CA 0.751 59.360 58.200 0.682 0.000 1.257 1554 S CB 0.355 64.039 63.200 0.807 0.000 0.964 1554 S HN 0.603 nan 8.310 nan 0.000 0.473 1555 A N -0.326 122.642 122.820 0.247 0.000 1.953 1555 A HA 0.362 4.679 4.320 -0.004 0.000 0.232 1555 A C 0.516 178.169 177.584 0.114 0.000 2.799 1555 A CA -0.286 51.828 52.037 0.128 0.000 2.066 1555 A CB -0.582 18.474 19.000 0.093 0.000 0.321 1555 A HN 0.242 nan 8.150 nan 0.000 0.918 1556 T N -1.130 113.508 114.554 0.141 0.000 3.345 1556 T HA 0.215 4.562 4.350 -0.004 0.000 0.273 1556 T C 0.987 175.764 174.700 0.128 0.000 0.853 1556 T CA 0.829 63.007 62.100 0.131 0.000 0.812 1556 T CB -0.172 68.802 68.868 0.177 0.000 1.246 1556 T HN 0.545 nan 8.240 nan 0.000 0.737 1557 I N 0.364 121.013 120.570 0.131 0.000 4.032 1557 I HA 0.295 4.462 4.170 -0.004 0.000 0.313 1557 I C 1.669 177.886 176.117 0.167 0.000 1.272 1557 I CA 0.426 61.778 61.300 0.087 0.000 1.307 1557 I CB 0.502 38.494 38.000 -0.013 0.000 1.155 1557 I HN 0.069 nan 8.210 nan 0.000 0.431 1558 N N 1.300 120.114 118.700 0.190 0.000 2.124 1558 N HA -0.236 4.502 4.740 -0.004 0.000 0.188 1558 N C 1.397 176.998 175.510 0.152 0.000 1.045 1558 N CA 1.225 54.392 53.050 0.196 0.000 0.846 1558 N CB 0.051 38.538 38.487 -0.001 0.000 1.020 1558 N HN 0.095 nan 8.380 nan 0.000 0.432 1559 E N -0.254 119.996 120.200 0.083 0.000 2.357 1559 E HA -0.027 4.320 4.350 -0.004 0.000 0.194 1559 E C 0.929 177.585 176.600 0.093 0.000 1.177 1559 E CA 0.186 56.629 56.400 0.071 0.000 0.998 1559 E CB -0.419 29.304 29.700 0.037 0.000 1.106 1559 E HN 0.554 nan 8.360 nan 0.000 0.470 1560 M N -1.506 118.166 119.600 0.120 0.000 2.260 1560 M HA 0.187 4.664 4.480 -0.004 0.000 0.326 1560 M C 0.360 176.722 176.300 0.102 0.000 0.930 1560 M CA -0.068 55.294 55.300 0.103 0.000 1.051 1560 M CB 0.471 33.120 32.600 0.081 0.000 1.748 1560 M HN 0.077 nan 8.290 nan 0.000 0.606 1561 M N 0.598 120.291 119.600 0.155 0.000 2.553 1561 M HA 0.175 4.652 4.480 -0.004 0.000 0.255 1561 M C 1.775 178.137 176.300 0.104 0.000 1.181 1561 M CA 0.981 56.356 55.300 0.126 0.000 1.210 1561 M CB -0.735 32.005 32.600 0.234 0.000 1.280 1561 M HN 0.127 nan 8.290 nan 0.000 0.495 1562 K N 0.109 120.619 120.400 0.182 0.000 2.015 1562 K HA -0.253 4.064 4.320 -0.004 0.000 0.220 1562 K C 1.787 178.429 176.600 0.069 0.000 1.055 1562 K CA 1.965 58.331 56.287 0.132 0.000 0.951 1562 K CB -1.491 31.090 32.500 0.135 0.000 0.725 1562 K HN 0.411 nan 8.250 nan 0.000 0.449 1563 H N -0.083 118.980 119.070 -0.011 0.000 2.567 1563 H HA -0.034 4.519 4.556 -0.004 0.000 0.281 1563 H C 1.160 176.396 175.328 -0.154 0.000 1.055 1563 H CA 0.602 56.616 56.048 -0.057 0.000 1.185 1563 H CB -0.003 29.741 29.762 -0.030 0.000 1.325 1563 H HN 0.043 nan 8.280 nan 0.000 0.622 1564 L N -2.188 118.915 121.223 -0.201 0.000 2.902 1564 L HA 0.379 4.716 4.340 -0.004 0.000 0.254 1564 L C 1.373 178.091 176.870 -0.253 0.000 1.115 1564 L CA 0.949 55.593 54.840 -0.327 0.000 0.947 1564 L CB 0.697 42.635 42.059 -0.200 0.000 1.369 1564 L HN 0.472 nan 8.230 nan 0.000 0.538 1565 G N -0.504 108.210 108.800 -0.144 0.000 2.145 1565 G HA2 -0.047 3.911 3.960 -0.004 0.000 0.203 1565 G HA3 -0.047 3.911 3.960 -0.004 0.000 0.203 1565 G C -0.876 173.979 174.900 -0.074 0.000 1.096 1565 G CA -0.346 44.692 45.100 -0.103 0.000 1.282 1565 G HN 0.267 nan 8.290 nan 0.000 0.474 1566 R N 0.237 120.678 120.500 -0.099 0.000 1.639 1566 R HA -0.032 4.305 4.340 -0.004 0.000 0.381 1566 R C 0.894 177.127 176.300 -0.112 0.000 1.282 1566 R CA 1.067 57.087 56.100 -0.133 0.000 1.204 1566 R CB -1.749 28.423 30.300 -0.214 0.000 3.444 1566 R HN 2.200 nan 8.270 nan 0.000 0.482 1567 S N 2.883 118.527 115.700 -0.094 0.000 2.560 1567 S HA 0.010 4.478 4.470 -0.004 0.000 0.276 1567 S C 0.591 175.152 174.600 -0.066 0.000 1.350 1567 S CA 0.160 58.324 58.200 -0.060 0.000 1.024 1567 S CB 0.623 63.792 63.200 -0.051 0.000 0.864 1567 S HN 0.566 nan 8.310 nan 0.000 0.536 1568 E N 0.887 121.084 120.200 -0.005 0.000 2.303 1568 E HA 0.196 4.543 4.350 -0.004 0.000 0.211 1568 E C 1.076 177.692 176.600 0.026 0.000 1.223 1568 E CA 0.063 56.491 56.400 0.047 0.000 1.344 1568 E CB -0.373 29.377 29.700 0.083 0.000 1.299 1568 E HN 0.883 nan 8.360 nan 0.000 0.441 1569 G N 0.785 109.568 108.800 -0.029 0.000 2.535 1569 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.191 1569 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.191 1569 G C 0.413 175.279 174.900 -0.057 0.000 1.242 1569 G CA -0.351 44.734 45.100 -0.024 0.000 0.797 1569 G HN 0.071 nan 8.290 nan 0.000 0.863 1570 N N 2.572 121.206 118.700 -0.110 0.000 3.228 1570 N HA 0.318 5.055 4.740 -0.004 0.000 0.289 1570 N C -2.765 172.600 175.510 -0.243 0.000 1.419 1570 N CA -1.056 51.914 53.050 -0.133 0.000 1.088 1570 N CB 1.752 40.171 38.487 -0.112 0.000 1.357 1570 N HN 0.153 nan 8.380 nan 0.000 0.504 1571 P HA 0.039 nan 4.420 nan 0.000 0.274 1571 P C 0.139 177.337 177.300 -0.170 0.000 1.470 1571 P CA -0.319 62.545 63.100 -0.393 0.000 1.001 1571 P CB 0.431 32.102 31.700 -0.049 0.000 1.332 1572 V N 2.770 122.566 119.914 -0.195 0.000 3.121 1572 V HA -0.196 3.922 4.120 -0.004 0.000 0.277 1572 V C 0.499 176.610 176.094 0.029 0.000 1.474 1572 V CA 0.201 62.470 62.300 -0.051 0.000 1.468 1572 V CB -1.023 30.799 31.823 -0.002 0.000 0.819 1572 V HN 0.374 nan 8.190 nan 0.000 0.450 1573 I N 5.243 125.820 120.570 0.012 0.000 2.474 1573 I HA 0.536 4.704 4.170 -0.004 0.000 0.287 1573 I C 1.274 177.406 176.117 0.025 0.000 1.048 1573 I CA 0.740 62.044 61.300 0.007 0.000 1.383 1573 I CB 1.163 39.150 38.000 -0.021 0.000 1.412 1573 I HN 0.999 nan 8.210 nan 0.000 0.531 1574 G N 4.575 113.342 108.800 -0.055 0.000 2.451 1574 G HA2 0.488 4.446 3.960 -0.004 0.000 0.303 1574 G HA3 0.488 4.446 3.960 -0.004 0.000 0.303 1574 G C 0.358 174.920 174.900 -0.563 0.000 1.166 1574 G CA -0.436 44.504 45.100 -0.267 0.000 0.884 1574 G HN 0.460 nan 8.290 nan 0.000 0.514 1575 V N -0.145 119.364 119.914 -0.674 0.000 3.405 1575 V HA 0.429 4.547 4.120 -0.004 0.000 0.211 1575 V C -0.012 175.780 176.094 -0.502 0.000 1.151 1575 V CA 0.137 62.181 62.300 -0.426 0.000 1.323 1575 V CB -1.042 30.759 31.823 -0.036 0.000 1.357 1575 V HN 0.823 nan 8.190 nan 0.000 0.506 1576 F N 1.221 121.274 119.950 0.171 0.000 2.343 1576 F HA -0.127 4.398 4.527 -0.004 0.000 0.487 1576 F C 0.966 176.868 175.800 0.171 0.000 1.227 1576 F CA 0.495 58.586 58.000 0.152 0.000 1.552 1576 F CB -2.244 36.797 39.000 0.069 0.000 2.399 1576 F HN 0.431 nan 8.300 nan 0.000 0.740 1577 Q N 1.014 121.010 119.800 0.327 0.000 2.378 1577 Q HA -0.094 4.244 4.340 -0.004 0.000 0.205 1577 Q C 1.968 178.117 176.000 0.248 0.000 0.954 1577 Q CA 1.025 56.970 55.803 0.237 0.000 0.901 1577 Q CB 0.227 29.096 28.738 0.217 0.000 0.981 1577 Q HN 0.518 nan 8.270 nan 0.000 0.483 1578 K N 0.724 121.300 120.400 0.293 0.000 2.000 1578 K HA -0.187 4.130 4.320 -0.004 0.000 0.218 1578 K C 0.854 177.636 176.600 0.303 0.000 1.053 1578 K CA 0.697 57.147 56.287 0.273 0.000 0.946 1578 K CB -1.016 31.593 32.500 0.181 0.000 0.723 1578 K HN 0.220 nan 8.250 nan 0.000 0.446 1579 F N 1.947 121.980 119.950 0.138 0.000 2.623 1579 F HA -0.017 4.508 4.527 -0.004 0.000 0.383 1579 F C 1.097 176.960 175.800 0.105 0.000 1.077 1579 F CA 0.269 58.335 58.000 0.109 0.000 1.268 1579 F CB 0.162 39.211 39.000 0.082 0.000 1.053 1579 F HN 0.207 nan 8.300 nan 0.000 0.571 1580 L N 3.849 124.801 121.223 -0.451 0.000 4.692 1580 L HA -0.280 4.058 4.340 -0.004 0.000 0.400 1580 L C -0.213 176.669 176.870 0.020 0.000 0.912 1580 L CA 1.969 56.521 54.840 -0.481 0.000 1.662 1580 L CB -2.003 39.607 42.059 -0.748 0.000 1.814 1580 L HN 1.003 nan 8.230 nan 0.000 0.580 1581 T N -3.067 111.588 114.554 0.168 0.000 3.328 1581 T HA 0.405 4.752 4.350 -0.004 0.000 0.080 1581 T C 0.766 175.773 174.700 0.513 0.000 0.538 1581 T CA 0.320 62.620 62.100 0.334 0.000 0.572 1581 T CB -0.922 68.061 68.868 0.193 0.000 1.025 1581 T HN 1.452 nan 8.240 nan 0.000 0.203 1582 G N 2.980 112.180 108.800 0.667 0.000 2.787 1582 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.343 1582 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.343 1582 G C 0.593 175.809 174.900 0.527 0.000 0.149 1582 G CA 1.520 47.030 45.100 0.684 0.000 1.222 1582 G HN 1.008 nan 8.290 nan 0.000 0.477 1583 H N 2.328 121.549 119.070 0.253 0.000 2.261 1583 H HA -0.108 4.445 4.556 -0.004 0.000 0.290 1583 H C -1.328 174.204 175.328 0.340 0.000 1.081 1583 H CA 0.751 56.920 56.048 0.201 0.000 1.196 1583 H CB -0.932 28.867 29.762 0.062 0.000 1.350 1583 H HN 0.540 nan 8.280 nan 0.000 0.498 1584 P HA 0.236 nan 4.420 nan 0.000 0.304 1584 P C -1.350 175.640 177.300 -0.516 0.000 1.385 1584 P CA -0.484 62.197 63.100 -0.699 0.000 0.896 1584 P CB 1.445 32.822 31.700 -0.539 0.000 0.958 1585 K N 2.686 122.642 120.400 -0.740 0.000 2.793 1585 K HA 0.602 4.919 4.320 -0.004 0.000 0.269 1585 K C 0.185 176.949 176.600 0.274 0.000 1.124 1585 K CA -0.708 55.665 56.287 0.143 0.000 1.074 1585 K CB 0.623 33.365 32.500 0.402 0.000 1.322 1585 K HN 0.599 nan 8.250 nan 0.000 0.532 1586 G N 2.122 110.988 108.800 0.111 0.000 3.050 1586 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.234 1586 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.234 1586 G C 0.881 175.804 174.900 0.038 0.000 1.521 1586 G CA 0.100 45.252 45.100 0.088 0.000 1.090 1586 G HN 0.839 nan 8.290 nan 0.000 0.556 1587 A N 1.320 124.131 122.820 -0.015 0.000 2.285 1587 A HA 0.322 4.639 4.320 -0.004 0.000 0.214 1587 A C 2.738 180.274 177.584 -0.080 0.000 1.188 1587 A CA 2.708 54.657 52.037 -0.146 0.000 0.707 1587 A CB -1.064 17.712 19.000 -0.373 0.000 0.771 1587 A HN 2.305 nan 8.150 nan 0.000 0.488 1588 A N -0.041 122.800 122.820 0.035 0.000 1.870 1588 A HA -0.032 4.285 4.320 -0.004 0.000 0.219 1588 A C 2.430 180.118 177.584 0.172 0.000 1.224 1588 A CA 2.363 54.359 52.037 -0.069 0.000 0.650 1588 A CB -1.594 17.174 19.000 -0.387 0.000 0.836 1588 A HN 0.855 nan 8.150 nan 0.000 0.454 1589 G N -1.108 107.757 108.800 0.110 0.000 2.701 1589 G HA2 -0.034 3.924 3.960 -0.004 0.000 0.215 1589 G HA3 -0.034 3.924 3.960 -0.004 0.000 0.215 1589 G C 1.868 176.873 174.900 0.175 0.000 1.297 1589 G CA 2.330 47.500 45.100 0.117 0.000 0.807 1589 G HN 1.236 nan 8.290 nan 0.000 0.608 1590 A N -0.411 122.493 122.820 0.139 0.000 1.957 1590 A HA -0.272 4.046 4.320 -0.004 0.000 0.224 1590 A C 2.191 179.971 177.584 0.327 0.000 1.287 1590 A CA 2.400 54.549 52.037 0.187 0.000 0.682 1590 A CB -1.025 18.065 19.000 0.150 0.000 0.833 1590 A HN 0.542 nan 8.150 nan 0.000 0.482 1591 W N -0.203 121.186 121.300 0.150 0.000 2.318 1591 W HA -0.224 4.434 4.660 -0.004 0.000 0.313 1591 W C 2.708 179.317 176.519 0.150 0.000 1.221 1591 W CA 1.767 59.210 57.345 0.164 0.000 1.266 1591 W CB -0.854 28.738 29.460 0.220 0.000 1.150 1591 W HN 0.431 nan 8.180 nan 0.000 0.496 1592 M N -1.313 118.516 119.600 0.382 0.000 2.132 1592 M HA -0.212 4.266 4.480 -0.004 0.000 0.263 1592 M C 2.118 178.519 176.300 0.168 0.000 1.065 1592 M CA 1.691 57.139 55.300 0.248 0.000 1.122 1592 M CB -1.016 31.723 32.600 0.232 0.000 1.365 1592 M HN -0.074 nan 8.290 nan 0.000 0.411 1593 M N 1.743 121.441 119.600 0.163 0.000 2.106 1593 M HA -0.190 4.288 4.480 -0.004 0.000 0.259 1593 M C 1.639 178.001 176.300 0.104 0.000 1.068 1593 M CA 1.906 57.268 55.300 0.103 0.000 1.100 1593 M CB -0.695 31.969 32.600 0.106 0.000 1.351 1593 M HN 0.188 nan 8.290 nan 0.000 0.404 1594 N N 0.130 118.961 118.700 0.218 0.000 2.058 1594 N HA -0.101 4.636 4.740 -0.004 0.000 0.191 1594 N C 1.806 177.423 175.510 0.178 0.000 1.037 1594 N CA 1.843 55.114 53.050 0.370 0.000 0.848 1594 N CB -1.008 37.668 38.487 0.316 0.000 1.021 1594 N HN 0.603 nan 8.380 nan 0.000 0.422 1595 G N 0.928 109.783 108.800 0.092 0.000 2.462 1595 G HA2 -0.155 3.803 3.960 -0.004 0.000 0.220 1595 G HA3 -0.155 3.803 3.960 -0.004 0.000 0.220 1595 G C 1.638 176.491 174.900 -0.079 0.000 1.121 1595 G CA 1.198 46.297 45.100 -0.002 0.000 0.758 1595 G HN 0.458 nan 8.290 nan 0.000 0.559 1596 A N 1.315 124.121 122.820 -0.024 0.000 1.827 1596 A HA -0.009 4.308 4.320 -0.004 0.000 0.215 1596 A C 2.412 179.909 177.584 -0.145 0.000 1.212 1596 A CA 1.580 53.584 52.037 -0.054 0.000 0.624 1596 A CB -0.823 18.160 19.000 -0.027 0.000 0.853 1596 A HN 0.331 nan 8.150 nan 0.000 0.450 1597 L N -1.139 119.966 121.223 -0.197 0.000 2.030 1597 L HA -0.391 3.946 4.340 -0.004 0.000 0.222 1597 L C 2.881 179.559 176.870 -0.320 0.000 1.082 1597 L CA 2.445 57.110 54.840 -0.292 0.000 0.785 1597 L CB -1.317 40.403 42.059 -0.566 0.000 0.895 1597 L HN 0.597 nan 8.230 nan 0.000 0.439 1598 Q N 0.276 119.831 119.800 -0.409 0.000 2.142 1598 Q HA -0.263 4.074 4.340 -0.004 0.000 0.213 1598 Q C 2.220 177.767 176.000 -0.755 0.000 1.004 1598 Q CA 2.887 58.262 55.803 -0.713 0.000 0.883 1598 Q CB -0.285 27.854 28.738 -0.999 0.000 0.939 1598 Q HN 0.778 nan 8.270 nan 0.000 0.413 1599 I N -2.095 118.196 120.570 -0.464 0.000 2.252 1599 I HA -0.155 4.013 4.170 -0.004 0.000 0.245 1599 I C 1.009 177.103 176.117 -0.040 0.000 1.102 1599 I CA 0.164 61.382 61.300 -0.138 0.000 1.385 1599 I CB -0.423 37.582 38.000 0.009 0.000 1.064 1599 I HN 0.041 nan 8.210 nan 0.000 0.414 1600 L N 1.698 122.893 121.223 -0.047 0.000 2.361 1600 L HA -0.026 4.311 4.340 -0.004 0.000 0.161 1600 L C 0.890 177.819 176.870 0.099 0.000 0.893 1600 L CA 0.682 55.561 54.840 0.064 0.000 1.513 1600 L CB -1.115 40.992 42.059 0.080 0.000 1.826 1600 L HN 0.397 nan 8.230 nan 0.000 0.453 1601 N N 0.190 119.022 118.700 0.218 0.000 2.700 1601 N HA -0.233 4.504 4.740 -0.004 0.000 0.265 1601 N C 0.393 176.015 175.510 0.187 0.000 0.975 1601 N CA 0.906 54.083 53.050 0.211 0.000 0.800 1601 N CB -0.985 37.572 38.487 0.117 0.000 0.908 1601 N HN 0.551 nan 8.380 nan 0.000 0.551 1602 S N -3.073 112.737 115.700 0.184 0.000 3.319 1602 S HA -0.233 4.234 4.470 -0.004 0.000 0.319 1602 S C 1.337 176.020 174.600 0.137 0.000 1.236 1602 S CA 1.158 59.436 58.200 0.130 0.000 0.964 1602 S CB -1.147 62.145 63.200 0.153 0.000 1.040 1602 S HN 0.906 nan 8.310 nan 0.000 0.620 1603 G N 0.175 109.051 108.800 0.127 0.000 2.479 1603 G HA2 0.488 4.445 3.960 -0.004 0.000 0.275 1603 G HA3 0.488 4.445 3.960 -0.004 0.000 0.275 1603 G C 0.396 175.443 174.900 0.244 0.000 1.421 1603 G CA 0.037 45.270 45.100 0.221 0.000 1.059 1603 G HN 0.307 nan 8.290 nan 0.000 0.535 1604 I N -0.541 120.266 120.570 0.396 0.000 4.030 1604 I HA 0.368 4.536 4.170 -0.004 0.000 0.248 1604 I C 1.795 178.049 176.117 0.228 0.000 1.284 1604 I CA -0.856 60.580 61.300 0.226 0.000 1.223 1604 I CB 0.260 38.346 38.000 0.143 0.000 1.446 1604 I HN 0.356 nan 8.210 nan 0.000 0.519 1605 I N 0.367 121.007 120.570 0.117 0.000 2.490 1605 I HA 0.124 4.291 4.170 -0.004 0.000 0.234 1605 I C -1.117 175.088 176.117 0.146 0.000 1.066 1605 I CA 1.087 62.442 61.300 0.091 0.000 1.405 1605 I CB -2.506 35.492 38.000 -0.004 0.000 1.191 1605 I HN 0.384 nan 8.210 nan 0.000 0.433 1606 P HA 0.252 nan 4.420 nan 0.000 0.323 1606 P C 1.095 178.369 177.300 -0.043 0.000 1.344 1606 P CA 1.082 64.153 63.100 -0.048 0.000 1.189 1606 P CB 2.107 33.750 31.700 -0.094 0.000 1.622 1607 G N 0.897 109.697 108.800 -0.001 0.000 2.270 1607 G HA2 -0.389 3.568 3.960 -0.004 0.000 0.268 1607 G HA3 -0.389 3.568 3.960 -0.004 0.000 0.268 1607 G C 0.708 175.677 174.900 0.114 0.000 0.982 1607 G CA 0.641 45.755 45.100 0.023 0.000 0.628 1607 G HN 0.603 nan 8.290 nan 0.000 0.544 1608 N N -0.498 118.254 118.700 0.088 0.000 4.418 1608 N HA -0.258 4.479 4.740 -0.004 0.000 0.271 1608 N C 0.470 176.122 175.510 0.236 0.000 0.876 1608 N CA 1.227 54.358 53.050 0.134 0.000 1.216 1608 N CB -0.115 38.404 38.487 0.053 0.000 0.754 1608 N HN 0.514 nan 8.380 nan 0.000 0.670 1609 R N 1.864 122.527 120.500 0.273 0.000 2.504 1609 R HA 0.011 4.348 4.340 -0.004 0.000 0.291 1609 R C 0.518 176.977 176.300 0.264 0.000 0.974 1609 R CA 0.638 56.912 56.100 0.289 0.000 1.077 1609 R CB -0.690 29.827 30.300 0.362 0.000 0.926 1609 R HN 0.579 nan 8.270 nan 0.000 0.407 1610 N N 1.901 120.640 118.700 0.065 0.000 2.268 1610 N HA 0.012 4.750 4.740 -0.004 0.000 0.256 1610 N C 0.482 175.921 175.510 -0.118 0.000 1.090 1610 N CA 0.514 53.513 53.050 -0.084 0.000 0.806 1610 N CB -0.378 38.168 38.487 0.098 0.000 1.644 1610 N HN 0.544 nan 8.380 nan 0.000 0.544 1611 A N 1.925 124.740 122.820 -0.007 0.000 5.477 1611 A HA -0.291 4.026 4.320 -0.004 0.000 0.985 1611 A C 0.325 177.881 177.584 -0.046 0.000 1.628 1611 A CA 1.811 53.847 52.037 -0.001 0.000 3.307 1611 A CB -1.201 17.806 19.000 0.011 0.000 1.703 1611 A HN 0.622 nan 8.150 nan 0.000 1.021 1612 D N -1.410 118.967 120.400 -0.039 0.000 2.828 1612 D HA -0.174 4.463 4.640 -0.004 0.000 0.241 1612 D C 0.186 176.449 176.300 -0.061 0.000 1.142 1612 D CA 1.953 55.915 54.000 -0.064 0.000 0.755 1612 D CB -1.509 39.234 40.800 -0.095 0.000 1.014 1612 D HN 1.752 nan 8.370 nan 0.000 0.420 1613 N N -0.720 117.960 118.700 -0.034 0.000 6.352 1613 N HA -0.297 4.441 4.740 -0.004 0.000 0.401 1613 N C 0.386 175.896 175.510 -0.001 0.000 0.961 1613 N CA 1.797 54.837 53.050 -0.016 0.000 1.984 1613 N CB -0.497 37.952 38.487 -0.062 0.000 0.720 1613 N HN 0.079 nan 8.380 nan 0.000 0.534 1614 V N -0.803 119.126 119.914 0.025 0.000 3.480 1614 V HA 0.294 4.412 4.120 -0.004 0.000 0.263 1614 V C 0.014 176.105 176.094 -0.005 0.000 1.442 1614 V CA 0.992 63.306 62.300 0.023 0.000 1.053 1614 V CB -0.443 31.459 31.823 0.132 0.000 0.846 1614 V HN 1.042 nan 8.190 nan 0.000 0.440 1615 D N 0.612 121.021 120.400 0.014 0.000 9.668 1615 D HA -0.149 4.489 4.640 -0.004 0.000 0.272 1615 D C 0.222 176.553 176.300 0.051 0.000 2.707 1615 D CA 0.526 54.532 54.000 0.011 0.000 2.597 1615 D CB -0.084 40.703 40.800 -0.023 0.000 1.005 1615 D HN 0.129 nan 8.370 nan 0.000 0.719 1616 K N 3.505 123.930 120.400 0.043 0.000 2.062 1616 K HA 0.054 4.371 4.320 -0.004 0.000 0.205 1616 K C 2.146 178.780 176.600 0.056 0.000 1.051 1616 K CA 1.567 57.886 56.287 0.054 0.000 0.941 1616 K CB -0.411 32.115 32.500 0.043 0.000 0.719 1616 K HN 0.615 nan 8.250 nan 0.000 0.440 1617 I N -0.797 119.799 120.570 0.043 0.000 2.908 1617 I HA -0.201 3.966 4.170 -0.004 0.000 0.271 1617 I C 0.602 176.759 176.117 0.067 0.000 1.275 1617 I CA 0.635 61.960 61.300 0.043 0.000 1.446 1617 I CB -0.339 37.679 38.000 0.029 0.000 1.092 1617 I HN -0.006 nan 8.210 nan 0.000 0.482 1618 L N 0.937 122.224 121.223 0.106 0.000 2.699 1618 L HA 0.269 4.607 4.340 -0.004 0.000 0.146 1618 L C 0.327 177.259 176.870 0.104 0.000 1.639 1618 L CA -0.457 54.493 54.840 0.183 0.000 2.637 1618 L CB -0.329 41.962 42.059 0.388 0.000 2.909 1618 L HN 0.212 nan 8.230 nan 0.000 0.694 1619 E N 0.001 120.250 120.200 0.080 0.000 5.777 1619 E HA -0.195 4.152 4.350 -0.004 0.000 0.177 1619 E C -0.742 175.794 176.600 -0.106 0.000 1.390 1619 E CA -0.022 56.362 56.400 -0.027 0.000 1.310 1619 E CB -0.774 28.930 29.700 0.006 0.000 0.995 1619 E HN 0.532 nan 8.360 nan 0.000 0.328 1620 Q N 0.008 119.677 119.800 -0.217 0.000 1.781 1620 Q HA 0.327 4.664 4.340 -0.004 0.000 0.148 1620 Q C -0.557 175.056 176.000 -0.645 0.000 0.510 1620 Q CA 0.192 55.726 55.803 -0.449 0.000 0.807 1620 Q CB 0.667 29.179 28.738 -0.377 0.000 0.939 1620 Q HN 0.339 nan 8.270 nan 0.000 0.252 1621 F N 2.853 122.737 119.950 -0.110 0.000 2.584 1621 F HA 0.338 4.862 4.527 -0.004 0.000 0.328 1621 F C -0.757 174.903 175.800 -0.235 0.000 1.407 1621 F CA -0.998 56.935 58.000 -0.112 0.000 1.145 1621 F CB 0.178 39.166 39.000 -0.020 0.000 1.440 1621 F HN 0.155 nan 8.300 nan 0.000 0.580 1622 E N -0.464 119.645 120.200 -0.152 0.000 8.730 1622 E HA -0.290 4.058 4.350 -0.004 0.000 0.455 1622 E C -2.088 174.238 176.600 -0.456 0.000 1.248 1622 E CA 1.148 57.379 56.400 -0.282 0.000 2.145 1622 E CB -0.504 29.166 29.700 -0.050 0.000 1.003 1622 E HN 0.309 nan 8.360 nan 0.000 0.378 1623 Y N 1.201 121.555 120.300 0.091 0.000 2.327 1623 Y HA 0.376 4.923 4.550 -0.004 0.000 0.325 1623 Y C 0.934 176.878 175.900 0.074 0.000 0.999 1623 Y CA -0.691 57.464 58.100 0.091 0.000 1.195 1623 Y CB 0.893 39.452 38.460 0.165 0.000 1.132 1623 Y HN 0.721 nan 8.280 nan 0.000 0.455 1624 V N 2.009 122.007 119.914 0.140 0.000 4.330 1624 V HA -0.140 3.978 4.120 -0.004 0.000 0.300 1624 V C 0.991 177.180 176.094 0.158 0.000 0.901 1624 V CA 1.450 63.801 62.300 0.086 0.000 0.979 1624 V CB 0.064 31.879 31.823 -0.014 0.000 1.151 1624 V HN 0.896 nan 8.190 nan 0.000 0.441 1625 L N -3.145 118.175 121.223 0.162 0.000 4.993 1625 L HA 0.348 4.685 4.340 -0.004 0.000 0.513 1625 L C -0.336 176.727 176.870 0.322 0.000 0.786 1625 L CA 0.670 55.647 54.840 0.229 0.000 2.129 1625 L CB -1.157 41.043 42.059 0.235 0.000 2.129 1625 L HN 1.617 nan 8.230 nan 0.000 0.597 1626 Y N -2.649 117.681 120.300 0.049 0.000 2.786 1626 Y HA 0.614 5.161 4.550 -0.004 0.000 0.365 1626 Y C -2.600 173.308 175.900 0.013 0.000 1.171 1626 Y CA -0.390 57.731 58.100 0.035 0.000 1.214 1626 Y CB -0.387 38.091 38.460 0.030 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 0.367 177.416 177.300 -0.417 0.000 1.132 1627 P CA 3.915 66.867 63.100 -0.247 0.000 0.939 1627 P CB -0.232 31.396 31.700 -0.119 0.000 0.749 1628 S N -1.659 113.503 115.700 -0.897 0.000 3.488 1628 S HA -0.220 4.247 4.470 -0.004 0.000 0.492 1628 S C 0.299 174.688 174.600 -0.351 0.000 0.779 1628 S CA 0.548 58.373 58.200 -0.625 0.000 1.378 1628 S CB -1.928 61.079 63.200 -0.322 0.000 0.924 1628 S HN 0.330 nan 8.310 nan 0.000 0.719 1629 K N 2.417 122.624 120.400 -0.321 0.000 3.855 1629 K HA -0.158 4.160 4.320 -0.004 0.000 0.210 1629 K C 0.759 177.292 176.600 -0.112 0.000 0.483 1629 K CA 1.034 57.225 56.287 -0.159 0.000 0.707 1629 K CB -1.856 30.596 32.500 -0.081 0.000 1.200 1629 K HN 1.216 nan 8.250 nan 0.000 0.400 1630 T N -0.287 114.201 114.554 -0.109 0.000 0.749 1630 T HA -0.245 4.103 4.350 -0.004 0.000 0.750 1630 T C -0.060 174.617 174.700 -0.039 0.000 0.989 1630 T CA -0.074 61.995 62.100 -0.052 0.000 3.962 1630 T CB -0.385 68.471 68.868 -0.020 0.000 2.235 1630 T HN 0.355 nan 8.240 nan 0.000 0.384 1631 L N 5.213 126.415 121.223 -0.035 0.000 2.407 1631 L HA 0.184 4.521 4.340 -0.004 0.000 0.282 1631 L C 1.640 178.500 176.870 -0.016 0.000 1.110 1631 L CA -0.710 54.113 54.840 -0.028 0.000 0.863 1631 L CB 0.539 42.580 42.059 -0.030 0.000 1.207 1631 L HN 0.764 nan 8.230 nan 0.000 0.454 1632 K N 0.838 121.232 120.400 -0.011 0.000 2.001 1632 K HA -0.212 4.106 4.320 -0.004 0.000 0.214 1632 K C 1.959 178.554 176.600 -0.010 0.000 1.050 1632 K CA 2.106 58.392 56.287 -0.001 0.000 0.934 1632 K CB -0.808 31.694 32.500 0.004 0.000 0.718 1632 K HN 0.793 nan 8.250 nan 0.000 0.443 1633 T N -0.533 114.014 114.554 -0.011 0.000 2.529 1633 T HA -0.190 4.157 4.350 -0.004 0.000 0.261 1633 T C 1.149 175.832 174.700 -0.029 0.000 1.110 1633 T CA 1.232 63.323 62.100 -0.015 0.000 1.192 1633 T CB -0.835 68.028 68.868 -0.009 0.000 0.864 1633 T HN 0.148 nan 8.240 nan 0.000 0.407 1634 D N 0.520 120.905 120.400 -0.026 0.000 2.192 1634 D HA 0.396 5.033 4.640 -0.004 0.000 0.238 1634 D C 1.455 177.730 176.300 -0.041 0.000 1.348 1634 D CA 1.815 55.795 54.000 -0.032 0.000 0.938 1634 D CB -0.557 40.226 40.800 -0.028 0.000 1.256 1634 D HN 0.792 nan 8.370 nan 0.000 0.529 1635 G N -1.494 107.284 108.800 -0.038 0.000 3.031 1635 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.289 1635 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.289 1635 G C -0.073 174.786 174.900 -0.068 0.000 1.393 1635 G CA -0.090 44.991 45.100 -0.031 0.000 1.010 1635 G HN 0.868 nan 8.290 nan 0.000 0.579 1636 V N 2.551 122.394 119.914 -0.117 0.000 2.996 1636 V HA 0.200 4.317 4.120 -0.004 0.000 0.289 1636 V C 1.195 177.147 176.094 -0.236 0.000 1.171 1636 V CA 2.997 65.118 62.300 -0.299 0.000 1.298 1636 V CB -0.174 31.324 31.823 -0.541 0.000 0.803 1636 V HN 1.094 nan 8.190 nan 0.000 0.448 1637 R N 2.084 122.481 120.500 -0.173 0.000 4.470 1637 R HA 0.405 4.742 4.340 -0.004 0.000 0.088 1637 R C -0.128 176.100 176.300 -0.120 0.000 0.579 1637 R CA 0.118 56.112 56.100 -0.176 0.000 0.856 1637 R CB -0.285 29.965 30.300 -0.084 0.000 0.960 1637 R HN 0.647 nan 8.270 nan 0.000 0.357 1638 A N 0.085 122.863 122.820 -0.070 0.000 2.616 1638 A HA 0.765 5.082 4.320 -0.004 0.000 0.253 1638 A C 0.386 177.946 177.584 -0.040 0.000 1.239 1638 A CA 0.262 52.267 52.037 -0.054 0.000 0.914 1638 A CB 1.257 20.228 19.000 -0.049 0.000 1.454 1638 A HN 0.593 nan 8.150 nan 0.000 0.460 1639 V N -4.920 114.972 119.914 -0.036 0.000 5.258 1639 V HA 0.429 4.547 4.120 -0.004 0.000 0.122 1639 V C 0.664 176.740 176.094 -0.030 0.000 1.199 1639 V CA 0.757 63.041 62.300 -0.026 0.000 1.018 1639 V CB -0.831 30.977 31.823 -0.025 0.000 1.289 1639 V HN 2.247 nan 8.190 nan 0.000 0.656 1640 S N 1.971 117.647 115.700 -0.041 0.000 3.454 1640 S HA -0.114 4.354 4.470 -0.004 0.000 0.508 1640 S C 0.829 175.388 174.600 -0.069 0.000 0.738 1640 S CA 0.462 58.626 58.200 -0.061 0.000 1.383 1640 S CB -1.115 62.040 63.200 -0.075 0.000 0.945 1640 S HN 1.340 nan 8.310 nan 0.000 0.768 1641 I N 1.895 122.434 120.570 -0.052 0.000 2.036 1641 I HA 0.066 4.234 4.170 -0.004 0.000 0.231 1641 I C 1.207 177.262 176.117 -0.103 0.000 1.044 1641 I CA 1.881 63.165 61.300 -0.027 0.000 1.315 1641 I CB -2.422 35.581 38.000 0.005 0.000 1.051 1641 I HN 0.868 nan 8.210 nan 0.000 0.391 1642 T N 0.898 115.351 114.554 -0.169 0.000 0.583 1642 T HA 0.118 4.466 4.350 -0.004 0.000 0.773 1642 T C -0.499 173.964 174.700 -0.395 0.000 0.994 1642 T CA 0.065 61.962 62.100 -0.338 0.000 4.064 1642 T CB -0.736 67.864 68.868 -0.448 0.000 2.300 1642 T HN 1.116 nan 8.240 nan 0.000 0.398 1643 S N 1.110 116.405 115.700 -0.675 0.000 2.535 1643 S HA 0.832 5.300 4.470 -0.004 0.000 0.272 1643 S C -1.804 172.267 174.600 -0.883 0.000 1.149 1643 S CA -1.139 56.554 58.200 -0.845 0.000 0.888 1643 S CB 1.383 64.228 63.200 -0.591 0.000 1.110 1643 S HN 0.624 nan 8.310 nan 0.000 0.463 1644 F N 1.179 120.730 119.950 -0.666 0.000 2.539 1644 F HA 0.788 5.313 4.527 -0.004 0.000 0.328 1644 F C 0.735 176.300 175.800 -0.391 0.000 1.148 1644 F CA -0.312 57.468 58.000 -0.367 0.000 0.940 1644 F CB 2.103 40.982 39.000 -0.202 0.000 1.194 1644 F HN 1.058 nan 8.300 nan 0.000 0.438 1645 G N 1.575 110.293 108.800 -0.136 0.000 3.016 1645 G HA2 0.637 4.595 3.960 -0.004 0.000 0.270 1645 G HA3 0.637 4.595 3.960 -0.004 0.000 0.270 1645 G C -0.705 174.015 174.900 -0.300 0.000 1.352 1645 G CA -0.637 44.285 45.100 -0.296 0.000 1.060 1645 G HN 0.238 nan 8.290 nan 0.000 0.538 1646 F N -0.417 119.536 119.950 0.005 0.000 2.188 1646 F HA 0.438 4.963 4.527 -0.004 0.000 0.279 1646 F C 1.991 177.791 175.800 0.002 0.000 1.210 1646 F CA 0.811 58.805 58.000 -0.011 0.000 1.200 1646 F CB -0.189 38.796 39.000 -0.025 0.000 1.552 1646 F HN 0.778 nan 8.300 nan 0.000 0.507 1647 G N -0.393 108.541 108.800 0.224 0.000 2.225 1647 G HA2 -0.429 3.528 3.960 -0.004 0.000 0.272 1647 G HA3 -0.429 3.528 3.960 -0.004 0.000 0.272 1647 G C 0.583 175.527 174.900 0.073 0.000 0.996 1647 G CA 0.820 45.992 45.100 0.120 0.000 0.710 1647 G HN 0.797 nan 8.290 nan 0.000 0.522 1648 Q N -1.526 118.310 119.800 0.060 0.000 2.452 1648 Q HA -0.201 4.137 4.340 -0.004 0.000 0.318 1648 Q C -0.219 175.798 176.000 0.027 0.000 1.386 1648 Q CA 1.431 57.248 55.803 0.024 0.000 0.872 1648 Q CB -0.884 27.862 28.738 0.014 0.000 1.151 1648 Q HN 0.707 nan 8.270 nan 0.000 0.417 1649 K N -0.575 119.842 120.400 0.029 0.000 2.334 1649 K HA 0.354 4.671 4.320 -0.004 0.000 0.265 1649 K C 0.737 177.353 176.600 0.028 0.000 1.039 1649 K CA 0.325 56.625 56.287 0.022 0.000 0.920 1649 K CB 1.305 33.815 32.500 0.017 0.000 1.160 1649 K HN 0.374 nan 8.250 nan 0.000 0.451 1650 G N 1.831 110.667 108.800 0.059 0.000 2.808 1650 G HA2 0.086 4.043 3.960 -0.004 0.000 0.210 1650 G HA3 0.086 4.043 3.960 -0.004 0.000 0.210 1650 G C 0.516 175.385 174.900 -0.050 0.000 1.177 1650 G CA 0.226 45.393 45.100 0.111 0.000 0.853 1650 G HN 0.768 nan 8.290 nan 0.000 0.625 1651 G N 0.192 108.976 108.800 -0.028 0.000 2.862 1651 G HA2 0.095 4.052 3.960 -0.004 0.000 0.334 1651 G HA3 0.095 4.052 3.960 -0.004 0.000 0.334 1651 G C -0.155 174.665 174.900 -0.132 0.000 0.154 1651 G CA 1.011 46.073 45.100 -0.064 0.000 1.240 1651 G HN 0.740 nan 8.290 nan 0.000 0.465 1652 Q N 0.994 120.718 119.800 -0.128 0.000 2.387 1652 Q HA 0.810 5.147 4.340 -0.004 0.000 0.273 1652 Q C -0.439 175.503 176.000 -0.096 0.000 1.089 1652 Q CA -0.122 55.586 55.803 -0.158 0.000 0.824 1652 Q CB 2.096 30.704 28.738 -0.216 0.000 1.367 1652 Q HN 1.692 nan 8.270 nan 0.000 0.443 1653 A N 3.733 126.503 122.820 -0.085 0.000 2.449 1653 A HA 0.778 5.096 4.320 -0.004 0.000 0.302 1653 A C -1.509 176.046 177.584 -0.049 0.000 1.048 1653 A CA -0.736 51.270 52.037 -0.052 0.000 0.708 1653 A CB 1.033 20.012 19.000 -0.035 0.000 1.274 1653 A HN 0.850 nan 8.150 nan 0.000 0.410 1654 I N 1.968 122.515 120.570 -0.039 0.000 2.693 1654 I HA 0.786 4.953 4.170 -0.004 0.000 0.303 1654 I C -1.282 174.819 176.117 -0.027 0.000 1.025 1654 I CA -0.897 60.380 61.300 -0.038 0.000 1.086 1654 I CB 1.819 39.792 38.000 -0.046 0.000 1.268 1654 I HN 0.494 nan 8.210 nan 0.000 0.440 1655 V N 6.685 126.581 119.914 -0.030 0.000 3.074 1655 V HA 0.618 4.735 4.120 -0.004 0.000 0.314 1655 V C -0.951 175.123 176.094 -0.032 0.000 1.117 1655 V CA -0.478 61.807 62.300 -0.025 0.000 1.014 1655 V CB 2.465 34.268 31.823 -0.033 0.000 1.057 1655 V HN 0.555 nan 8.190 nan 0.000 0.438 1656 V N 2.271 122.170 119.914 -0.024 0.000 3.001 1656 V HA 0.579 4.696 4.120 -0.004 0.000 0.314 1656 V C -0.276 175.781 176.094 -0.063 0.000 1.099 1656 V CA -0.608 61.665 62.300 -0.046 0.000 0.989 1656 V CB 1.935 33.745 31.823 -0.020 0.000 1.040 1656 V HN 1.081 nan 8.190 nan 0.000 0.434 1657 H N 6.576 125.502 119.070 -0.241 0.000 2.998 1657 H HA 0.260 4.813 4.556 -0.004 0.000 0.353 1657 H C -2.173 173.062 175.328 -0.155 0.000 1.099 1657 H CA 0.346 56.259 56.048 -0.226 0.000 1.393 1657 H CB 1.040 30.597 29.762 -0.343 0.000 1.343 1657 H HN 0.574 nan 8.280 nan 0.000 0.609 1658 P HA 0.010 nan 4.420 nan 0.000 0.337 1658 P C -0.000 177.253 177.300 -0.077 0.000 1.340 1658 P CA 0.329 63.235 63.100 -0.323 0.000 0.764 1658 P CB 0.674 32.199 31.700 -0.291 0.000 1.718 1659 D N -2.689 117.843 120.400 0.220 0.000 3.475 1659 D HA -0.249 4.388 4.640 -0.004 0.000 0.191 1659 D C 1.367 178.006 176.300 0.565 0.000 1.523 1659 D CA 1.937 56.332 54.000 0.658 0.000 2.228 1659 D CB -2.068 39.081 40.800 0.582 0.000 1.310 1659 D HN 0.346 nan 8.370 nan 0.000 0.413 1660 Y N 0.472 120.874 120.300 0.171 0.000 2.736 1660 Y HA 0.141 4.689 4.550 -0.004 0.000 0.298 1660 Y C 1.594 177.388 175.900 -0.177 0.000 1.156 1660 Y CA 0.492 58.657 58.100 0.108 0.000 1.384 1660 Y CB -0.325 38.297 38.460 0.270 0.000 0.976 1660 Y HN 0.225 nan 8.280 nan 0.000 0.556 1661 L N -0.133 121.000 121.223 -0.151 0.000 2.506 1661 L HA 0.321 4.659 4.340 -0.004 0.000 0.247 1661 L C -1.691 174.704 176.870 -0.792 0.000 1.141 1661 L CA -0.231 54.315 54.840 -0.489 0.000 0.973 1661 L CB -0.052 41.690 42.059 -0.528 0.000 1.319 1661 L HN -0.004 nan 8.230 nan 0.000 0.455 1662 Y N 2.322 122.568 120.300 -0.089 0.000 2.640 1662 Y HA 0.463 5.010 4.550 -0.004 0.000 0.295 1662 Y C 0.618 176.470 175.900 -0.081 0.000 1.023 1662 Y CA -0.592 57.477 58.100 -0.052 0.000 1.163 1662 Y CB 0.879 39.334 38.460 -0.008 0.000 1.145 1662 Y HN 0.439 nan 8.280 nan 0.000 0.609 1663 G N 0.197 108.982 108.800 -0.026 0.000 2.641 1663 G HA2 0.570 4.528 3.960 -0.004 0.000 0.239 1663 G HA3 0.570 4.528 3.960 -0.004 0.000 0.239 1663 G C 0.162 175.062 174.900 0.001 0.000 1.402 1663 G CA -0.472 44.610 45.100 -0.031 0.000 1.046 1663 G HN 0.887 nan 8.290 nan 0.000 0.565 1664 A N -1.500 121.314 122.820 -0.010 0.000 2.360 1664 A HA -0.041 4.276 4.320 -0.004 0.000 0.289 1664 A C 1.106 178.716 177.584 0.043 0.000 1.437 1664 A CA 0.990 53.032 52.037 0.008 0.000 0.734 1664 A CB -2.136 16.862 19.000 -0.002 0.000 1.145 1664 A HN 1.899 nan 8.150 nan 0.000 0.374 1665 I N -2.801 117.782 120.570 0.022 0.000 4.546 1665 I HA -0.355 3.812 4.170 -0.004 0.000 0.128 1665 I C 1.085 177.194 176.117 -0.014 0.000 1.403 1665 I CA 1.682 62.994 61.300 0.019 0.000 0.462 1665 I CB -1.322 36.709 38.000 0.052 0.000 1.071 1665 I HN 1.988 nan 8.210 nan 0.000 0.309 1666 T N 0.437 114.968 114.554 -0.039 0.000 5.266 1666 T HA 0.077 4.425 4.350 -0.004 0.000 0.266 1666 T C -0.718 173.862 174.700 -0.200 0.000 2.221 1666 T CA 0.756 62.704 62.100 -0.253 0.000 3.668 1666 T CB -1.136 67.613 68.868 -0.198 0.000 0.163 1666 T HN 0.726 nan 8.240 nan 0.000 0.188 1667 E N -0.364 119.850 120.200 0.024 0.000 2.442 1667 E HA 0.460 4.807 4.350 -0.004 0.000 0.278 1667 E C -0.046 176.668 176.600 0.189 0.000 1.082 1667 E CA -0.463 56.018 56.400 0.136 0.000 0.861 1667 E CB 0.754 30.493 29.700 0.066 0.000 1.462 1667 E HN 0.077 nan 8.360 nan 0.000 0.458 1668 D N 0.443 120.942 120.400 0.166 0.000 4.002 1668 D HA -0.305 4.332 4.640 -0.004 0.000 0.429 1668 D C 0.769 177.156 176.300 0.145 0.000 0.498 1668 D CA 2.012 56.088 54.000 0.127 0.000 1.251 1668 D CB -0.289 40.557 40.800 0.076 0.000 0.472 1668 D HN 0.143 nan 8.370 nan 0.000 0.263 1669 R N 0.837 121.412 120.500 0.124 0.000 4.874 1669 R HA 0.068 4.405 4.340 -0.004 0.000 0.173 1669 R C -0.246 176.181 176.300 0.210 0.000 2.034 1669 R CA 0.599 56.768 56.100 0.115 0.000 1.630 1669 R CB -0.951 29.390 30.300 0.069 0.000 1.372 1669 R HN 0.725 nan 8.270 nan 0.000 0.843 1670 Y N -1.486 118.864 120.300 0.084 0.000 3.014 1670 Y HA 0.024 4.572 4.550 -0.004 0.000 0.219 1670 Y C 0.647 176.633 175.900 0.143 0.000 1.019 1670 Y CA -0.185 57.987 58.100 0.120 0.000 1.520 1670 Y CB -0.163 38.344 38.460 0.079 0.000 1.377 1670 Y HN 0.111 nan 8.280 nan 0.000 0.425 1671 N N 2.022 120.893 118.700 0.285 0.000 2.453 1671 N HA -0.105 4.633 4.740 -0.004 0.000 0.183 1671 N C 1.458 176.996 175.510 0.047 0.000 1.041 1671 N CA 1.425 54.569 53.050 0.157 0.000 0.900 1671 N CB -0.102 38.565 38.487 0.300 0.000 0.961 1671 N HN 0.681 nan 8.380 nan 0.000 0.443 1672 E N -0.332 119.909 120.200 0.068 0.000 2.072 1672 E HA -0.185 4.162 4.350 -0.004 0.000 0.190 1672 E C 1.545 178.155 176.600 0.017 0.000 0.982 1672 E CA 0.555 56.980 56.400 0.041 0.000 0.803 1672 E CB -0.022 29.708 29.700 0.050 0.000 0.755 1672 E HN 0.310 nan 8.360 nan 0.000 0.453 1673 Y N 1.601 121.814 120.300 -0.145 0.000 2.044 1673 Y HA -0.284 4.263 4.550 -0.004 0.000 0.264 1673 Y C 2.239 177.997 175.900 -0.237 0.000 1.111 1673 Y CA 1.841 59.824 58.100 -0.194 0.000 1.088 1673 Y CB -0.874 37.433 38.460 -0.256 0.000 0.981 1673 Y HN -0.153 nan 8.280 nan 0.000 0.478 1674 V N 1.091 120.710 119.914 -0.492 0.000 2.467 1674 V HA -0.472 3.646 4.120 -0.004 0.000 0.266 1674 V C 2.415 178.293 176.094 -0.360 0.000 1.124 1674 V CA 1.964 63.936 62.300 -0.547 0.000 1.121 1674 V CB -2.091 29.429 31.823 -0.504 0.000 0.695 1674 V HN 0.677 nan 8.190 nan 0.000 0.466 1675 A N -0.293 122.387 122.820 -0.234 0.000 1.832 1675 A HA -0.141 4.177 4.320 -0.004 0.000 0.214 1675 A C 2.207 179.688 177.584 -0.172 0.000 1.242 1675 A CA 1.599 53.550 52.037 -0.142 0.000 0.603 1675 A CB -0.540 18.418 19.000 -0.070 0.000 0.902 1675 A HN 0.474 nan 8.150 nan 0.000 0.455 1676 K N -0.354 119.949 120.400 -0.161 0.000 2.189 1676 K HA -0.157 4.160 4.320 -0.004 0.000 0.207 1676 K C 1.812 178.293 176.600 -0.198 0.000 1.046 1676 K CA 1.488 57.693 56.287 -0.136 0.000 0.928 1676 K CB -0.490 31.960 32.500 -0.083 0.000 0.720 1676 K HN 0.266 nan 8.250 nan 0.000 0.458 1677 V N 0.454 120.141 119.914 -0.378 0.000 2.307 1677 V HA -0.192 3.925 4.120 -0.004 0.000 0.245 1677 V C 2.026 177.977 176.094 -0.239 0.000 1.045 1677 V CA 1.825 63.886 62.300 -0.398 0.000 1.024 1677 V CB -0.111 31.276 31.823 -0.726 0.000 0.651 1677 V HN 0.304 nan 8.190 nan 0.000 0.449 1678 S N -0.508 115.060 115.700 -0.221 0.000 2.727 1678 S HA 0.135 4.603 4.470 -0.004 0.000 0.226 1678 S C 1.214 175.765 174.600 -0.082 0.000 0.963 1678 S CA 0.633 58.754 58.200 -0.132 0.000 0.950 1678 S CB -0.263 62.869 63.200 -0.113 0.000 0.779 1678 S HN 0.572 nan 8.310 nan 0.000 0.532 1679 A N 0.240 123.006 122.820 -0.089 0.000 2.564 1679 A HA 0.488 4.806 4.320 -0.004 0.000 0.279 1679 A C 1.569 179.133 177.584 -0.033 0.000 1.232 1679 A CA -0.523 51.484 52.037 -0.049 0.000 0.950 1679 A CB 0.236 19.206 19.000 -0.050 0.000 1.138 1679 A HN 0.341 nan 8.150 nan 0.000 0.526 1680 R N 0.269 120.746 120.500 -0.038 0.000 4.019 1680 R HA 0.191 4.528 4.340 -0.004 0.000 0.140 1680 R C -0.468 175.844 176.300 0.019 0.000 1.486 1680 R CA 0.031 56.124 56.100 -0.011 0.000 1.119 1680 R CB -0.522 29.758 30.300 -0.033 0.000 1.357 1680 R HN 0.483 nan 8.270 nan 0.000 0.449 1681 E N 2.969 123.165 120.200 -0.007 0.000 2.299 1681 E HA 0.089 4.436 4.350 -0.004 0.000 0.272 1681 E C -0.417 176.192 176.600 0.015 0.000 1.043 1681 E CA 0.233 56.637 56.400 0.007 0.000 0.895 1681 E CB 0.447 30.127 29.700 -0.034 0.000 1.011 1681 E HN 0.185 nan 8.360 nan 0.000 0.432 1682 K N 0.905 121.360 120.400 0.092 0.000 3.509 1682 K HA -0.149 4.169 4.320 -0.004 0.000 0.302 1682 K C 0.384 177.071 176.600 0.144 0.000 1.355 1682 K CA 0.944 57.340 56.287 0.181 0.000 0.953 1682 K CB -1.544 30.995 32.500 0.064 0.000 1.321 1682 K HN 0.429 nan 8.250 nan 0.000 0.461 1683 S N -1.589 114.175 115.700 0.107 0.000 2.651 1683 S HA 0.338 4.806 4.470 -0.004 0.000 0.259 1683 S C 0.994 175.648 174.600 0.091 0.000 1.073 1683 S CA 0.054 58.293 58.200 0.065 0.000 1.090 1683 S CB 1.375 64.592 63.200 0.027 0.000 1.042 1683 S HN 0.412 nan 8.310 nan 0.000 0.581 1684 A N -0.022 122.885 122.820 0.145 0.000 2.508 1684 A HA 0.358 4.675 4.320 -0.004 0.000 0.250 1684 A C 1.201 178.969 177.584 0.307 0.000 1.208 1684 A CA -0.164 52.002 52.037 0.213 0.000 0.960 1684 A CB -0.353 18.762 19.000 0.191 0.000 1.099 1684 A HN 0.389 nan 8.150 nan 0.000 0.542 1685 Y N 1.616 121.966 120.300 0.082 0.000 2.497 1685 Y HA -0.066 4.481 4.550 -0.004 0.000 0.292 1685 Y C 1.764 177.705 175.900 0.069 0.000 1.137 1685 Y CA 1.564 59.678 58.100 0.024 0.000 1.285 1685 Y CB -0.261 38.157 38.460 -0.070 0.000 0.991 1685 Y HN 0.387 nan 8.280 nan 0.000 0.556 1686 K N -0.278 120.158 120.400 0.060 0.000 1.979 1686 K HA -0.209 4.109 4.320 -0.004 0.000 0.213 1686 K C 2.052 178.735 176.600 0.139 0.000 1.036 1686 K CA 1.383 57.653 56.287 -0.029 0.000 0.954 1686 K CB -1.143 31.370 32.500 0.021 0.000 0.743 1686 K HN 0.176 nan 8.250 nan 0.000 0.443 1687 F N 1.582 121.575 119.950 0.072 0.000 2.094 1687 F HA -0.339 4.186 4.527 -0.004 0.000 0.296 1687 F C 1.831 177.715 175.800 0.139 0.000 1.070 1687 F CA 2.020 60.080 58.000 0.100 0.000 1.255 1687 F CB -0.812 38.260 39.000 0.121 0.000 1.000 1687 F HN 0.289 nan 8.300 nan 0.000 0.490 1688 F N 0.523 120.466 119.950 -0.011 0.000 1.980 1688 F HA -0.191 4.333 4.527 -0.004 0.000 0.298 1688 F C 2.772 178.514 175.800 -0.098 0.000 1.255 1688 F CA 2.362 60.304 58.000 -0.097 0.000 1.179 1688 F CB -1.536 37.516 39.000 0.085 0.000 0.957 1688 F HN 0.057 nan 8.300 nan 0.000 0.507 1689 H N -0.383 118.716 119.070 0.048 0.000 2.421 1689 H HA -0.343 4.211 4.556 -0.004 0.000 0.287 1689 H C 2.008 177.085 175.328 -0.419 0.000 1.129 1689 H CA 1.426 57.352 56.048 -0.204 0.000 1.179 1689 H CB -0.505 29.259 29.762 0.004 0.000 1.352 1689 H HN 0.406 nan 8.280 nan 0.000 0.488 1690 N N 0.112 118.681 118.700 -0.218 0.000 1.997 1690 N HA -0.147 4.590 4.740 -0.004 0.000 0.198 1690 N C 2.311 177.578 175.510 -0.406 0.000 1.070 1690 N CA 2.151 55.018 53.050 -0.304 0.000 0.864 1690 N CB -0.917 37.480 38.487 -0.150 0.000 1.066 1690 N HN 0.282 nan 8.380 nan 0.000 0.425 1691 G N 0.634 109.166 108.800 -0.447 0.000 2.513 1691 G HA2 -0.364 3.593 3.960 -0.004 0.000 0.219 1691 G HA3 -0.364 3.593 3.960 -0.004 0.000 0.219 1691 G C 1.559 176.258 174.900 -0.335 0.000 1.160 1691 G CA 1.269 46.149 45.100 -0.367 0.000 0.767 1691 G HN 0.512 nan 8.290 nan 0.000 0.571 1692 M N 0.819 120.031 119.600 -0.646 0.000 2.144 1692 M HA -0.126 4.352 4.480 -0.004 0.000 0.260 1692 M C 2.502 178.422 176.300 -0.632 0.000 1.067 1692 M CA 2.138 56.889 55.300 -0.915 0.000 1.095 1692 M CB -0.242 31.523 32.600 -1.393 0.000 1.365 1692 M HN 0.508 nan 8.290 nan 0.000 0.406 1693 I N -3.106 117.185 120.570 -0.465 0.000 2.703 1693 I HA -0.130 4.038 4.170 -0.004 0.000 0.259 1693 I C 0.840 177.003 176.117 0.077 0.000 1.151 1693 I CA 0.871 62.066 61.300 -0.175 0.000 1.470 1693 I CB -0.559 37.290 38.000 -0.252 0.000 1.112 1693 I HN 0.115 nan 8.210 nan 0.000 0.437 1694 Y N 1.700 121.991 120.300 -0.015 0.000 2.485 1694 Y HA 0.316 4.863 4.550 -0.004 0.000 0.260 1694 Y C 0.085 176.007 175.900 0.036 0.000 1.173 1694 Y CA -1.556 56.518 58.100 -0.044 0.000 1.252 1694 Y CB -1.316 37.075 38.460 -0.115 0.000 1.123 1694 Y HN 0.301 nan 8.280 nan 0.000 0.524 1695 N N 0.684 119.525 118.700 0.235 0.000 2.671 1695 N HA -0.221 4.517 4.740 -0.004 0.000 0.261 1695 N C 0.509 176.138 175.510 0.199 0.000 1.053 1695 N CA 0.742 53.956 53.050 0.274 0.000 0.732 1695 N CB -0.697 37.949 38.487 0.266 0.000 0.887 1695 N HN 0.394 nan 8.380 nan 0.000 0.546 1696 K N -0.440 120.032 120.400 0.120 0.000 2.402 1696 K HA 0.173 4.490 4.320 -0.004 0.000 0.203 1696 K C -0.225 176.420 176.600 0.075 0.000 1.077 1696 K CA -0.261 56.086 56.287 0.101 0.000 1.051 1696 K CB 0.461 33.009 32.500 0.079 0.000 0.907 1696 K HN 0.139 nan 8.250 nan 0.000 0.554 1697 L N 1.969 123.198 121.223 0.010 0.000 2.578 1697 L HA 0.033 4.370 4.340 -0.004 0.000 0.279 1697 L C 0.171 177.217 176.870 0.293 0.000 1.227 1697 L CA 0.658 55.506 54.840 0.014 0.000 0.900 1697 L CB -0.890 41.151 42.059 -0.030 0.000 1.144 1697 L HN 0.129 nan 8.230 nan 0.000 0.496 1698 F N 2.545 122.583 119.950 0.146 0.000 2.149 1698 F HA 0.061 4.586 4.527 -0.004 0.000 0.497 1698 F C -0.786 175.104 175.800 0.150 0.000 1.282 1698 F CA 0.282 58.369 58.000 0.145 0.000 1.585 1698 F CB -0.347 38.714 39.000 0.101 0.000 2.847 1698 F HN 0.560 nan 8.300 nan 0.000 0.683 1699 V N 1.859 121.346 119.914 -0.711 0.000 3.204 1699 V HA 0.798 4.916 4.120 -0.004 0.000 0.298 1699 V C 0.147 175.882 176.094 -0.598 0.000 1.328 1699 V CA -0.537 61.487 62.300 -0.460 0.000 1.035 1699 V CB 1.101 32.873 31.823 -0.086 0.000 1.095 1699 V HN 1.184 nan 8.190 nan 0.000 0.442 1700 S N 1.757 117.271 115.700 -0.311 0.000 2.695 1700 S HA 0.368 4.835 4.470 -0.004 0.000 0.250 1700 S C 0.629 175.166 174.600 -0.104 0.000 1.355 1700 S CA 0.428 58.516 58.200 -0.186 0.000 0.965 1700 S CB 0.162 63.317 63.200 -0.075 0.000 0.987 1700 S HN 1.096 nan 8.310 nan 0.000 0.576 1701 K N -0.617 119.761 120.400 -0.038 0.000 3.118 1701 K HA 0.213 4.530 4.320 -0.004 0.000 0.239 1701 K C -0.802 175.766 176.600 -0.055 0.000 2.173 1701 K CA 0.230 56.544 56.287 0.045 0.000 1.423 1701 K CB -0.836 31.762 32.500 0.163 0.000 2.463 1701 K HN 0.532 nan 8.250 nan 0.000 0.515 1702 E N 1.019 121.176 120.200 -0.072 0.000 8.020 1702 E HA -0.218 4.130 4.350 -0.004 0.000 0.466 1702 E C -0.139 176.309 176.600 -0.252 0.000 0.748 1702 E CA 1.573 57.828 56.400 -0.241 0.000 1.303 1702 E CB -1.364 28.016 29.700 -0.533 0.000 0.984 1702 E HN 0.680 nan 8.360 nan 0.000 0.337 1703 H N -1.007 118.111 119.070 0.080 0.000 4.829 1703 H HA -0.220 4.333 4.556 -0.004 0.000 0.080 1703 H C 1.047 176.450 175.328 0.126 0.000 0.582 1703 H CA 1.934 58.022 56.048 0.068 0.000 1.075 1703 H CB -1.393 28.388 29.762 0.032 0.000 0.466 1703 H HN 1.868 nan 8.280 nan 0.000 0.746 1704 A N -0.060 122.936 122.820 0.294 0.000 6.506 1704 A HA -0.208 4.110 4.320 -0.004 0.000 0.234 1704 A C -1.433 176.295 177.584 0.239 0.000 2.257 1704 A CA 0.672 52.954 52.037 0.409 0.000 0.695 1704 A CB -1.525 17.732 19.000 0.430 0.000 0.929 1704 A HN 0.378 nan 8.150 nan 0.000 0.364 1705 P HA -0.044 nan 4.420 nan 0.000 0.208 1705 P C 1.071 178.374 177.300 0.005 0.000 1.200 1705 P CA 2.286 65.309 63.100 -0.128 0.000 0.924 1705 P CB -0.525 30.903 31.700 -0.453 0.000 0.774 1706 Y N 0.680 120.901 120.300 -0.132 0.000 2.275 1706 Y HA 0.331 4.878 4.550 -0.004 0.000 0.432 1706 Y C 1.124 176.993 175.900 -0.053 0.000 1.244 1706 Y CA -0.653 57.380 58.100 -0.111 0.000 1.925 1706 Y CB -2.091 36.273 38.460 -0.159 0.000 1.609 1706 Y HN 0.097 nan 8.280 nan 0.000 0.751 1707 T N -1.565 113.097 114.554 0.180 0.000 3.337 1707 T HA 0.357 4.705 4.350 -0.004 0.000 0.321 1707 T C -0.394 174.312 174.700 0.009 0.000 0.852 1707 T CA -0.065 62.067 62.100 0.054 0.000 1.242 1707 T CB -0.541 68.347 68.868 0.034 0.000 0.979 1707 T HN 0.627 nan 8.240 nan 0.000 0.508 1708 D N 2.146 122.518 120.400 -0.047 0.000 4.058 1708 D HA -0.366 4.271 4.640 -0.004 0.000 0.383 1708 D C 1.468 177.765 176.300 -0.005 0.000 1.056 1708 D CA 2.668 56.642 54.000 -0.043 0.000 1.552 1708 D CB -0.619 40.164 40.800 -0.029 0.000 0.788 1708 D HN 0.810 nan 8.370 nan 0.000 0.636 1709 E N 0.214 120.419 120.200 0.007 0.000 2.085 1709 E HA -0.130 4.218 4.350 -0.004 0.000 0.194 1709 E C 2.413 179.038 176.600 0.041 0.000 0.994 1709 E CA 1.393 57.806 56.400 0.021 0.000 0.801 1709 E CB -0.241 29.468 29.700 0.015 0.000 0.743 1709 E HN 0.461 nan 8.360 nan 0.000 0.453 1710 L N 0.701 121.956 121.223 0.053 0.000 2.179 1710 L HA -0.026 4.312 4.340 -0.004 0.000 0.208 1710 L C 2.514 179.439 176.870 0.091 0.000 1.096 1710 L CA 0.515 55.398 54.840 0.071 0.000 0.779 1710 L CB -0.695 41.410 42.059 0.077 0.000 0.922 1710 L HN 0.141 nan 8.230 nan 0.000 0.443 1711 E N 1.445 121.701 120.200 0.094 0.000 2.223 1711 E HA -0.374 3.974 4.350 -0.004 0.000 0.249 1711 E C 1.786 178.513 176.600 0.212 0.000 1.008 1711 E CA 2.656 59.110 56.400 0.091 0.000 0.975 1711 E CB -0.172 29.500 29.700 -0.047 0.000 0.901 1711 E HN 0.457 nan 8.360 nan 0.000 0.537 1712 E N 0.272 120.642 120.200 0.283 0.000 2.196 1712 E HA -0.310 4.037 4.350 -0.004 0.000 0.222 1712 E C 1.904 178.675 176.600 0.285 0.000 1.072 1712 E CA 2.044 58.639 56.400 0.325 0.000 0.902 1712 E CB -0.466 29.323 29.700 0.148 0.000 0.780 1712 E HN 0.466 nan 8.360 nan 0.000 0.467 1713 D N 0.321 120.813 120.400 0.154 0.000 2.078 1713 D HA -0.130 4.508 4.640 -0.004 0.000 0.193 1713 D C 2.273 178.617 176.300 0.075 0.000 0.990 1713 D CA 1.420 55.480 54.000 0.101 0.000 0.827 1713 D CB -0.462 40.376 40.800 0.063 0.000 0.975 1713 D HN 0.057 nan 8.370 nan 0.000 0.451 1714 V N 0.910 120.829 119.914 0.008 0.000 2.363 1714 V HA -0.318 3.800 4.120 -0.004 0.000 0.254 1714 V C 2.118 178.160 176.094 -0.087 0.000 1.074 1714 V CA 1.649 63.889 62.300 -0.100 0.000 1.069 1714 V CB -1.090 30.593 31.823 -0.234 0.000 0.659 1714 V HN 0.210 nan 8.190 nan 0.000 0.455 1715 Y N 0.030 120.397 120.300 0.111 0.000 2.113 1715 Y HA -0.107 4.440 4.550 -0.004 0.000 0.269 1715 Y C 2.768 178.700 175.900 0.053 0.000 1.098 1715 Y CA 1.906 60.063 58.100 0.094 0.000 1.083 1715 Y CB -1.120 37.404 38.460 0.107 0.000 0.997 1715 Y HN 0.176 nan 8.280 nan 0.000 0.476 1716 L N 0.681 122.047 121.223 0.239 0.000 2.064 1716 L HA -0.195 4.143 4.340 -0.004 0.000 0.216 1716 L C 1.171 178.083 176.870 0.071 0.000 1.077 1716 L CA 2.484 57.398 54.840 0.123 0.000 0.766 1716 L CB -2.519 39.599 42.059 0.098 0.000 0.890 1716 L HN 0.453 nan 8.230 nan 0.000 0.435 1717 D N -0.619 119.813 120.400 0.055 0.000 2.383 1717 D HA 0.466 5.104 4.640 -0.004 0.000 0.245 1717 D C -0.304 175.997 176.300 0.003 0.000 1.263 1717 D CA -0.541 53.468 54.000 0.016 0.000 0.936 1717 D CB -0.643 40.162 40.800 0.008 0.000 1.053 1717 D HN 0.685 nan 8.370 nan 0.000 0.507 1718 P HA 0.141 nan 4.420 nan 0.000 0.219 1718 P C 1.330 178.612 177.300 -0.029 0.000 1.145 1718 P CA 1.898 64.986 63.100 -0.020 0.000 0.813 1718 P CB -1.055 30.613 31.700 -0.052 0.000 0.771 1719 L N -1.024 120.177 121.223 -0.036 0.000 2.894 1719 L HA 0.448 4.785 4.340 -0.004 0.000 0.286 1719 L C 1.265 178.115 176.870 -0.033 0.000 1.077 1719 L CA 0.092 54.910 54.840 -0.037 0.000 1.070 1719 L CB -2.399 39.642 42.059 -0.030 0.000 1.470 1719 L HN 0.669 nan 8.230 nan 0.000 0.452 1720 A N 3.245 126.042 122.820 -0.039 0.000 2.227 1720 A HA 0.863 5.181 4.320 -0.004 0.000 0.279 1720 A C 1.601 179.163 177.584 -0.037 0.000 1.367 1720 A CA 1.550 53.563 52.037 -0.041 0.000 0.824 1720 A CB -0.431 18.520 19.000 -0.081 0.000 1.214 1720 A HN 2.882 nan 8.150 nan 0.000 0.514 1721 R N -3.694 116.786 120.500 -0.032 0.000 3.156 1721 R HA 0.278 4.615 4.340 -0.004 0.000 0.569 1721 R C -0.151 176.145 176.300 -0.007 0.000 0.963 1721 R CA 1.778 57.874 56.100 -0.006 0.000 1.718 1721 R CB -2.483 27.800 30.300 -0.028 0.000 1.656 1721 R HN 2.656 nan 8.270 nan 0.000 0.549 1722 V N -0.681 119.241 119.914 0.012 0.000 2.668 1722 V HA 0.943 5.060 4.120 -0.004 0.000 0.304 1722 V C 0.494 176.565 176.094 -0.039 0.000 1.071 1722 V CA 0.347 62.625 62.300 -0.036 0.000 0.894 1722 V CB 1.608 33.417 31.823 -0.023 0.000 1.008 1722 V HN 2.367 nan 8.190 nan 0.000 0.425 1723 S N 2.690 118.335 115.700 -0.092 0.000 2.607 1723 S HA 0.986 5.454 4.470 -0.004 0.000 0.303 1723 S C 0.348 174.888 174.600 -0.100 0.000 1.086 1723 S CA -0.180 57.966 58.200 -0.090 0.000 0.995 1723 S CB 0.985 64.118 63.200 -0.112 0.000 1.084 1723 S HN 1.982 nan 8.310 nan 0.000 0.507 1724 K N -0.292 120.067 120.400 -0.069 0.000 2.336 1724 K HA 0.563 4.880 4.320 -0.004 0.000 0.262 1724 K C 0.276 176.845 176.600 -0.052 0.000 0.992 1724 K CA 0.692 56.946 56.287 -0.054 0.000 0.927 1724 K CB -1.008 31.473 32.500 -0.032 0.000 0.956 1724 K HN 1.285 nan 8.250 nan 0.000 0.495 1725 D N -0.431 119.958 120.400 -0.020 0.000 3.719 1725 D HA 0.632 5.269 4.640 -0.004 0.000 0.236 1725 D C 0.747 177.068 176.300 0.035 0.000 1.496 1725 D CA 0.346 54.364 54.000 0.029 0.000 1.057 1725 D CB -0.183 40.664 40.800 0.079 0.000 1.296 1725 D HN 0.852 nan 8.370 nan 0.000 0.627 1726 K N -0.815 119.614 120.400 0.048 0.000 3.127 1726 K HA 0.684 5.002 4.320 -0.004 0.000 0.236 1726 K C 0.596 177.205 176.600 0.016 0.000 1.271 1726 K CA 0.976 57.281 56.287 0.030 0.000 1.224 1726 K CB -0.512 32.007 32.500 0.033 0.000 1.482 1726 K HN 1.113 nan 8.250 nan 0.000 0.435 1727 K N -0.936 119.468 120.400 0.007 0.000 3.026 1727 K HA 0.540 4.858 4.320 -0.004 0.000 0.287 1727 K C 0.262 176.853 176.600 -0.015 0.000 2.775 1727 K CA 0.803 57.089 56.287 -0.002 0.000 1.542 1727 K CB -0.177 32.321 32.500 -0.002 0.000 3.003 1727 K HN 1.448 nan 8.250 nan 0.000 0.353 1728 S N -1.256 114.424 115.700 -0.033 0.000 2.597 1728 S HA 0.536 5.003 4.470 -0.004 0.000 0.274 1728 S C 0.577 175.124 174.600 -0.088 0.000 1.132 1728 S CA 0.154 58.322 58.200 -0.052 0.000 0.835 1728 S CB 0.822 63.988 63.200 -0.056 0.000 1.092 1728 S HN 1.989 nan 8.310 nan 0.000 0.457 1729 G N 1.180 109.932 108.800 -0.081 0.000 2.635 1729 G HA2 0.365 4.322 3.960 -0.004 0.000 0.264 1729 G HA3 0.365 4.322 3.960 -0.004 0.000 0.264 1729 G C 0.226 175.030 174.900 -0.161 0.000 0.583 1729 G CA 0.520 45.567 45.100 -0.089 0.000 1.071 1729 G HN 2.232 nan 8.290 nan 0.000 0.270 1730 S N 1.775 117.399 115.700 -0.128 0.000 2.484 1730 S HA 0.180 4.648 4.470 -0.004 0.000 0.330 1730 S C -0.496 174.026 174.600 -0.130 0.000 0.882 1730 S CA -1.039 57.067 58.200 -0.156 0.000 0.851 1730 S CB -0.282 62.830 63.200 -0.146 0.000 1.146 1730 S HN 1.039 nan 8.310 nan 0.000 0.466 1731 L N 2.776 123.911 121.223 -0.147 0.000 2.906 1731 L HA 0.026 4.364 4.340 -0.004 0.000 0.292 1731 L C 1.161 177.948 176.870 -0.138 0.000 1.130 1731 L CA 0.988 55.741 54.840 -0.146 0.000 0.940 1731 L CB -0.321 41.633 42.059 -0.176 0.000 1.336 1731 L HN 0.855 nan 8.230 nan 0.000 0.469 1732 T N 4.634 119.051 114.554 -0.229 0.000 2.767 1732 T HA 0.477 4.825 4.350 -0.004 0.000 0.288 1732 T C 0.685 175.092 174.700 -0.488 0.000 0.963 1732 T CA -0.698 61.143 62.100 -0.431 0.000 1.019 1732 T CB 0.126 68.548 68.868 -0.745 0.000 0.923 1732 T HN 0.311 nan 8.240 nan 0.000 0.468 1733 F N 3.536 123.473 119.950 -0.020 0.000 1.511 1733 F HA -0.280 4.245 4.527 -0.004 0.000 0.071 1733 F C 1.608 177.402 175.800 -0.010 0.000 0.191 1733 F CA 0.747 58.739 58.000 -0.014 0.000 0.331 1733 F CB -0.957 38.036 39.000 -0.012 0.000 0.717 1733 F HN 0.607 nan 8.300 nan 0.000 0.667 1734 N N 0.040 118.891 118.700 0.253 0.000 2.461 1734 N HA -0.037 4.700 4.740 -0.004 0.000 0.188 1734 N C 1.618 177.177 175.510 0.083 0.000 1.134 1734 N CA 0.859 53.981 53.050 0.120 0.000 0.878 1734 N CB -0.100 38.452 38.487 0.109 0.000 0.972 1734 N HN 0.656 nan 8.380 nan 0.000 0.456 1735 S N 1.745 117.500 115.700 0.092 0.000 2.310 1735 S HA 0.030 4.498 4.470 -0.004 0.000 0.201 1735 S C 1.642 176.200 174.600 -0.069 0.000 1.032 1735 S CA 0.440 58.657 58.200 0.028 0.000 0.993 1735 S CB -0.291 62.950 63.200 0.069 0.000 0.970 1735 S HN -0.104 nan 8.310 nan 0.000 0.446 1736 K N 2.342 122.631 120.400 -0.185 0.000 2.520 1736 K HA 0.134 4.451 4.320 -0.004 0.000 0.197 1736 K C 0.233 176.772 176.600 -0.102 0.000 1.044 1736 K CA 0.557 56.753 56.287 -0.152 0.000 0.938 1736 K CB -0.931 31.440 32.500 -0.214 0.000 0.767 1736 K HN 0.474 nan 8.250 nan 0.000 0.481 1737 N N -0.876 117.773 118.700 -0.086 0.000 3.993 1737 N HA 0.034 4.771 4.740 -0.004 0.000 0.204 1737 N C -1.182 174.317 175.510 -0.018 0.000 1.071 1737 N CA -0.306 52.715 53.050 -0.048 0.000 1.076 1737 N CB 0.813 39.263 38.487 -0.061 0.000 1.644 1737 N HN -0.117 nan 8.380 nan 0.000 0.650 1738 I N 2.459 123.028 120.570 -0.002 0.000 3.679 1738 I HA 0.062 4.230 4.170 -0.004 0.000 0.370 1738 I C -0.013 176.111 176.117 0.011 0.000 1.123 1738 I CA 0.670 61.979 61.300 0.015 0.000 1.034 1738 I CB -0.724 37.294 38.000 0.031 0.000 2.718 1738 I HN 0.815 nan 8.210 nan 0.000 0.830 1739 Q N -0.011 119.790 119.800 0.001 0.000 2.589 1739 Q HA -0.138 4.200 4.340 -0.004 0.000 0.154 1739 Q C 0.415 176.425 176.000 0.015 0.000 0.562 1739 Q CA 0.933 56.735 55.803 -0.001 0.000 1.260 1739 Q CB -1.319 27.417 28.738 -0.004 0.000 0.984 1739 Q HN 0.484 nan 8.270 nan 0.000 1.098 1740 S N 1.217 116.928 115.700 0.018 0.000 4.620 1740 S HA -0.248 4.219 4.470 -0.004 0.000 0.552 1740 S C 1.293 175.917 174.600 0.041 0.000 0.994 1740 S CA 0.920 59.136 58.200 0.026 0.000 0.991 1740 S CB 0.384 63.593 63.200 0.015 0.000 1.522 1740 S HN 0.265 nan 8.310 nan 0.000 0.402 1741 K N 3.656 124.087 120.400 0.053 0.000 2.227 1741 K HA -0.222 4.095 4.320 -0.004 0.000 0.208 1741 K C 0.800 177.435 176.600 0.059 0.000 1.045 1741 K CA 2.206 58.535 56.287 0.070 0.000 0.931 1741 K CB -0.654 31.877 32.500 0.051 0.000 0.721 1741 K HN 0.779 nan 8.250 nan 0.000 0.469 1742 D N 0.342 120.764 120.400 0.037 0.000 2.413 1742 D HA -0.019 4.618 4.640 -0.004 0.000 0.262 1742 D C -0.652 175.666 176.300 0.030 0.000 1.254 1742 D CA 0.463 54.478 54.000 0.025 0.000 0.942 1742 D CB 0.031 40.838 40.800 0.012 0.000 0.937 1742 D HN -0.088 nan 8.370 nan 0.000 0.508 1743 S N -0.281 115.455 115.700 0.060 0.000 2.599 1743 S HA 0.260 4.727 4.470 -0.004 0.000 0.269 1743 S C -0.768 173.941 174.600 0.181 0.000 1.135 1743 S CA -0.782 57.462 58.200 0.074 0.000 1.027 1743 S CB 1.173 64.394 63.200 0.035 0.000 1.129 1743 S HN 0.282 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 9999.000 9999.000 -0.004 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