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 3eub_1_L DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTT 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 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.265 176.300 -0.059 0.000 2.045 571 D CA 0.000 53.962 54.000 -0.063 0.000 0.868 571 D CB 0.000 40.755 40.800 -0.075 0.000 0.688 572 T N -0.504 114.018 114.554 -0.054 0.000 3.129 572 T HA 0.295 4.644 4.350 -0.002 0.000 0.267 572 T C 0.620 175.291 174.700 -0.049 0.000 1.018 572 T CA -0.149 61.925 62.100 -0.042 0.000 0.903 572 T CB 0.022 68.874 68.868 -0.026 0.000 1.067 572 T HN 0.080 nan 8.240 nan 0.000 0.549 573 V N 1.890 121.756 119.914 -0.080 0.000 2.572 573 V HA 0.538 4.657 4.120 -0.002 0.000 0.291 573 V C 1.656 177.705 176.094 -0.075 0.000 1.039 573 V CA 1.060 63.310 62.300 -0.084 0.000 1.055 573 V CB 0.166 31.883 31.823 -0.177 0.000 0.969 573 V HN 0.831 nan 8.190 nan 0.000 0.482 574 G N 4.664 113.438 108.800 -0.043 0.000 2.194 574 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.236 574 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.236 574 G C 0.277 175.161 174.900 -0.026 0.000 0.987 574 G CA -0.115 44.964 45.100 -0.035 0.000 0.635 574 G HN 0.595 nan 8.290 nan 0.000 0.520 575 R N 1.038 121.523 120.500 -0.025 0.000 2.474 575 R HA 0.458 4.797 4.340 -0.002 0.000 0.295 575 R C -2.270 174.024 176.300 -0.010 0.000 0.980 575 R CA -1.745 54.344 56.100 -0.018 0.000 0.934 575 R CB 1.571 31.858 30.300 -0.020 0.000 1.101 575 R HN 0.028 nan 8.270 nan 0.000 0.469 576 P HA -0.006 nan 4.420 nan 0.000 0.231 576 P C -0.630 176.674 177.300 0.007 0.000 1.756 576 P CA -0.145 62.955 63.100 0.000 0.000 0.990 576 P CB -0.112 31.587 31.700 -0.001 0.000 1.973 577 L N 3.412 124.639 121.223 0.006 0.000 2.410 577 L HA 0.373 4.712 4.340 -0.002 0.000 0.273 577 L C -2.367 174.519 176.870 0.027 0.000 1.144 577 L CA -1.949 52.898 54.840 0.012 0.000 0.863 577 L CB -0.207 41.855 42.059 0.005 0.000 1.140 577 L HN -0.005 nan 8.230 nan 0.000 0.463 578 P HA 0.024 nan 4.420 nan 0.000 0.271 578 P C -0.816 176.547 177.300 0.105 0.000 1.218 578 P CA -0.101 63.043 63.100 0.073 0.000 0.780 578 P CB 0.235 31.976 31.700 0.070 0.000 0.901 579 H N 2.672 121.757 119.070 0.026 0.000 3.193 579 H HA -0.093 4.462 4.556 -0.002 0.000 0.306 579 H C 1.023 176.370 175.328 0.031 0.000 0.960 579 H CA 0.796 56.861 56.048 0.028 0.000 1.375 579 H CB 0.360 30.141 29.762 0.031 0.000 1.321 579 H HN 0.397 nan 8.280 nan 0.000 0.578 580 L N 4.100 125.412 121.223 0.150 0.000 2.362 580 L HA -0.123 4.215 4.340 -0.002 0.000 0.219 580 L C 2.094 179.095 176.870 0.218 0.000 1.134 580 L CA 1.259 56.184 54.840 0.141 0.000 0.807 580 L CB -0.171 41.910 42.059 0.037 0.000 0.927 580 L HN 0.639 nan 8.230 nan 0.000 0.447 581 A N -1.175 121.888 122.820 0.406 0.000 2.431 581 A HA 0.440 4.758 4.320 -0.002 0.000 0.239 581 A C 2.229 179.851 177.584 0.063 0.000 1.230 581 A CA 0.584 52.739 52.037 0.197 0.000 0.928 581 A CB -0.009 19.107 19.000 0.193 0.000 1.006 581 A HN 0.228 nan 8.150 nan 0.000 0.520 582 A N 0.569 123.429 122.820 0.066 0.000 1.883 582 A HA 0.070 4.389 4.320 -0.002 0.000 0.217 582 A C 2.415 180.011 177.584 0.019 0.000 1.186 582 A CA 2.152 54.180 52.037 -0.015 0.000 0.624 582 A CB -0.891 18.130 19.000 0.034 0.000 0.822 582 A HN 1.103 nan 8.150 nan 0.000 0.444 583 A N -0.758 122.089 122.820 0.045 0.000 1.898 583 A HA -0.086 4.233 4.320 -0.002 0.000 0.216 583 A C 2.234 179.841 177.584 0.039 0.000 1.181 583 A CA 1.764 53.825 52.037 0.041 0.000 0.620 583 A CB -0.520 18.506 19.000 0.044 0.000 0.819 583 A HN 0.540 nan 8.150 nan 0.000 0.442 584 M N -0.969 118.657 119.600 0.042 0.000 2.296 584 M HA -0.160 4.319 4.480 -0.002 0.000 0.265 584 M C 2.220 178.546 176.300 0.043 0.000 1.064 584 M CA 1.212 56.535 55.300 0.038 0.000 1.109 584 M CB -0.262 32.360 32.600 0.037 0.000 1.396 584 M HN 0.492 nan 8.290 nan 0.000 0.430 585 Q N -0.049 119.773 119.800 0.037 0.000 2.187 585 Q HA 0.011 4.350 4.340 -0.002 0.000 0.199 585 Q C 2.265 178.302 176.000 0.062 0.000 0.957 585 Q CA 1.259 57.101 55.803 0.065 0.000 0.857 585 Q CB -0.116 28.640 28.738 0.030 0.000 0.929 585 Q HN 0.561 nan 8.270 nan 0.000 0.453 586 A N 0.955 123.801 122.820 0.042 0.000 1.969 586 A HA -0.149 4.170 4.320 -0.002 0.000 0.218 586 A C 2.176 179.785 177.584 0.042 0.000 1.169 586 A CA 1.677 53.738 52.037 0.041 0.000 0.635 586 A CB -0.312 18.709 19.000 0.036 0.000 0.810 586 A HN 0.403 nan 8.150 nan 0.000 0.445 587 S N -2.578 113.147 115.700 0.042 0.000 2.486 587 S HA 0.396 4.865 4.470 -0.002 0.000 0.220 587 S C 1.392 176.018 174.600 0.043 0.000 1.011 587 S CA 1.042 59.264 58.200 0.037 0.000 0.921 587 S CB -0.018 63.201 63.200 0.031 0.000 0.785 587 S HN 1.875 nan 8.310 nan 0.000 0.517 588 G N 1.207 110.043 108.800 0.059 0.000 2.130 588 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.216 588 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.216 588 G C 0.367 175.305 174.900 0.064 0.000 0.999 588 G CA 0.321 45.464 45.100 0.073 0.000 0.686 588 G HN 0.553 nan 8.290 nan 0.000 0.515 589 E N -0.053 120.176 120.200 0.049 0.000 2.250 589 E HA 0.378 4.727 4.350 -0.002 0.000 0.192 589 E C 1.785 178.398 176.600 0.021 0.000 0.986 589 E CA 0.347 56.765 56.400 0.031 0.000 0.849 589 E CB 0.188 29.902 29.700 0.023 0.000 0.797 589 E HN 0.827 nan 8.360 nan 0.000 0.482 590 A N 1.951 124.786 122.820 0.024 0.000 2.545 590 A HA 0.090 4.409 4.320 -0.002 0.000 0.253 590 A C 0.166 177.694 177.584 -0.094 0.000 1.074 590 A CA 0.130 52.135 52.037 -0.054 0.000 0.760 590 A CB 0.170 19.128 19.000 -0.071 0.000 1.005 590 A HN 0.014 nan 8.150 nan 0.000 0.506 591 V N 4.864 124.676 119.914 -0.171 0.000 2.406 591 V HA 0.282 4.401 4.120 -0.002 0.000 0.272 591 V C -0.472 175.445 176.094 -0.295 0.000 1.043 591 V CA -0.022 62.203 62.300 -0.126 0.000 0.915 591 V CB 0.070 31.844 31.823 -0.083 0.000 0.988 591 V HN 0.746 nan 8.190 nan 0.000 0.466 592 Y N 2.222 122.515 120.300 -0.012 0.000 2.488 592 Y HA 0.295 4.844 4.550 -0.002 0.000 0.325 592 Y C 1.590 177.479 175.900 -0.019 0.000 1.204 592 Y CA -0.253 57.840 58.100 -0.012 0.000 1.229 592 Y CB 0.651 39.103 38.460 -0.013 0.000 1.274 592 Y HN 0.667 nan 8.280 nan 0.000 0.493 593 C N 0.951 120.337 119.300 0.143 0.000 2.304 593 C HA -0.335 4.124 4.460 -0.002 0.000 0.269 593 C C 2.564 177.585 174.990 0.051 0.000 1.136 593 C CA 2.641 61.709 59.018 0.083 0.000 1.796 593 C CB -0.816 26.981 27.740 0.094 0.000 2.017 593 C HN 1.097 nan 8.230 nan 0.000 0.431 594 D N -0.450 119.997 120.400 0.079 0.000 2.312 594 D HA -0.058 4.581 4.640 -0.002 0.000 0.211 594 D C 1.495 177.823 176.300 0.047 0.000 0.964 594 D CA 1.049 55.086 54.000 0.063 0.000 0.877 594 D CB -0.355 40.488 40.800 0.072 0.000 0.924 594 D HN 0.597 nan 8.370 nan 0.000 0.515 595 D N -0.247 120.186 120.400 0.055 0.000 2.323 595 D HA 0.006 4.645 4.640 -0.002 0.000 0.209 595 D C 0.688 176.971 176.300 -0.028 0.000 0.973 595 D CA 0.025 54.047 54.000 0.036 0.000 0.874 595 D CB 0.076 40.926 40.800 0.082 0.000 0.930 595 D HN 0.358 nan 8.370 nan 0.000 0.521 596 I N 3.572 124.093 120.570 -0.081 0.000 2.741 596 I HA -0.026 4.143 4.170 -0.002 0.000 0.288 596 I C -1.781 174.234 176.117 -0.170 0.000 1.192 596 I CA -1.257 59.932 61.300 -0.185 0.000 1.426 596 I CB 0.008 37.804 38.000 -0.339 0.000 1.367 596 I HN -0.237 nan 8.210 nan 0.000 0.563 597 P HA 0.075 nan 4.420 nan 0.000 0.267 597 P C -0.694 176.474 177.300 -0.220 0.000 1.201 597 P CA -0.045 62.956 63.100 -0.166 0.000 0.775 597 P CB 0.465 32.055 31.700 -0.183 0.000 0.854 598 R N 1.060 121.482 120.500 -0.130 0.000 2.500 598 R HA 0.382 4.721 4.340 -0.002 0.000 0.275 598 R C 0.075 176.296 176.300 -0.130 0.000 1.051 598 R CA -0.331 55.708 56.100 -0.102 0.000 1.088 598 R CB 0.124 30.450 30.300 0.043 0.000 1.063 598 R HN 0.432 nan 8.270 nan 0.000 0.511 599 Y N 0.849 121.135 120.300 -0.023 0.000 2.298 599 Y HA -0.054 4.495 4.550 -0.002 0.000 0.329 599 Y C 1.810 177.719 175.900 0.016 0.000 1.293 599 Y CA 0.076 58.171 58.100 -0.009 0.000 1.388 599 Y CB 0.869 39.320 38.460 -0.015 0.000 1.309 599 Y HN 0.707 nan 8.280 nan 0.000 0.544 600 E N 0.041 120.373 120.200 0.220 0.000 2.085 600 E HA -0.267 4.082 4.350 -0.002 0.000 0.194 600 E C 0.705 177.390 176.600 0.142 0.000 0.994 600 E CA 1.727 58.210 56.400 0.138 0.000 0.801 600 E CB -0.330 29.431 29.700 0.101 0.000 0.743 600 E HN 0.681 nan 8.360 nan 0.000 0.453 601 N N 1.118 119.904 118.700 0.144 0.000 2.270 601 N HA -0.012 4.727 4.740 -0.002 0.000 0.198 601 N C -0.257 175.386 175.510 0.222 0.000 1.117 601 N CA -0.030 53.130 53.050 0.183 0.000 0.845 601 N CB 0.092 38.637 38.487 0.097 0.000 0.980 601 N HN 0.231 nan 8.380 nan 0.000 0.486 602 E N 0.937 121.229 120.200 0.153 0.000 2.465 602 E HA 0.100 4.449 4.350 -0.002 0.000 0.260 602 E C -0.474 176.076 176.600 -0.085 0.000 0.980 602 E CA 0.014 56.434 56.400 0.034 0.000 0.927 602 E CB 0.486 30.169 29.700 -0.028 0.000 0.934 602 E HN 0.258 nan 8.360 nan 0.000 0.459 603 L N 3.796 124.924 121.223 -0.159 0.000 2.331 603 L HA 0.542 4.881 4.340 -0.002 0.000 0.268 603 L C -0.632 176.013 176.870 -0.374 0.000 1.015 603 L CA -1.000 53.761 54.840 -0.132 0.000 0.807 603 L CB 0.842 42.859 42.059 -0.070 0.000 1.293 603 L HN 0.512 nan 8.230 nan 0.000 0.451 604 F N 1.067 121.037 119.950 0.032 0.000 2.529 604 F HA 0.549 5.075 4.527 -0.002 0.000 0.320 604 F C -0.330 175.493 175.800 0.039 0.000 1.118 604 F CA -0.468 57.558 58.000 0.045 0.000 0.915 604 F CB 1.864 40.895 39.000 0.050 0.000 1.161 604 F HN 0.148 nan 8.300 nan 0.000 0.445 605 L N 3.674 125.015 121.223 0.197 0.000 2.329 605 L HA 0.784 5.122 4.340 -0.002 0.000 0.279 605 L C -0.934 176.033 176.870 0.162 0.000 1.014 605 L CA -0.775 54.149 54.840 0.140 0.000 0.814 605 L CB 1.449 43.568 42.059 0.099 0.000 1.257 605 L HN 0.708 nan 8.230 nan 0.000 0.424 606 R N 4.622 125.213 120.500 0.152 0.000 2.451 606 R HA 0.520 4.859 4.340 -0.002 0.000 0.307 606 R C -1.464 174.931 176.300 0.159 0.000 0.965 606 R CA -0.447 55.747 56.100 0.156 0.000 0.865 606 R CB 1.073 31.471 30.300 0.163 0.000 1.174 606 R HN 0.725 nan 8.270 nan 0.000 0.455 607 L N 4.093 125.411 121.223 0.158 0.000 2.525 607 L HA 0.145 4.484 4.340 -0.002 0.000 0.278 607 L C -0.162 176.819 176.870 0.185 0.000 1.218 607 L CA -0.107 54.839 54.840 0.176 0.000 0.878 607 L CB 0.661 42.823 42.059 0.172 0.000 1.127 607 L HN 0.342 nan 8.230 nan 0.000 0.492 608 V N 3.010 123.044 119.914 0.201 0.000 2.439 608 V HA 0.462 4.581 4.120 -0.002 0.000 0.282 608 V C 0.290 176.507 176.094 0.205 0.000 1.039 608 V CA -0.218 62.213 62.300 0.218 0.000 0.913 608 V CB 1.637 33.640 31.823 0.300 0.000 0.983 608 V HN 0.817 nan 8.190 nan 0.000 0.460 609 T N 2.455 117.126 114.554 0.194 0.000 2.883 609 T HA 0.403 4.751 4.350 -0.002 0.000 0.296 609 T C -0.367 174.456 174.700 0.205 0.000 1.117 609 T CA -0.276 61.940 62.100 0.193 0.000 1.006 609 T CB 1.925 70.897 68.868 0.173 0.000 1.191 609 T HN 0.767 nan 8.240 nan 0.000 0.508 610 S N 0.296 116.122 115.700 0.211 0.000 2.592 610 S HA 0.342 4.811 4.470 -0.002 0.000 0.271 610 S C 1.132 175.803 174.600 0.118 0.000 1.326 610 S CA 0.178 58.512 58.200 0.224 0.000 1.024 610 S CB 0.566 63.896 63.200 0.216 0.000 0.921 610 S HN 0.877 nan 8.310 nan 0.000 0.527 611 T N 1.952 116.509 114.554 0.005 0.000 3.215 611 T HA 0.447 4.796 4.350 -0.002 0.000 0.271 611 T C 0.022 174.566 174.700 -0.260 0.000 1.012 611 T CA -0.634 61.412 62.100 -0.090 0.000 0.899 611 T CB -0.112 68.752 68.868 -0.007 0.000 1.089 611 T HN 0.440 nan 8.240 nan 0.000 0.552 612 R N -0.190 120.122 120.500 -0.312 0.000 2.673 612 R HA 0.746 5.085 4.340 -0.002 0.000 0.281 612 R C 0.724 176.969 176.300 -0.093 0.000 0.991 612 R CA -0.251 55.672 56.100 -0.295 0.000 0.896 612 R CB 1.464 31.428 30.300 -0.559 0.000 1.201 612 R HN 0.125 nan 8.270 nan 0.000 0.457 613 A N 0.991 123.785 122.820 -0.043 0.000 1.897 613 A HA -0.074 4.244 4.320 -0.002 0.000 0.215 613 A C 0.231 177.869 177.584 0.089 0.000 1.181 613 A CA 1.523 53.564 52.037 0.006 0.000 0.620 613 A CB -0.087 18.904 19.000 -0.015 0.000 0.821 613 A HN 0.572 nan 8.150 nan 0.000 0.443 614 H N -1.756 117.302 119.070 -0.019 0.000 3.149 614 H HA 0.661 5.216 4.556 -0.002 0.000 0.334 614 H C -0.955 174.389 175.328 0.026 0.000 1.000 614 H CA -0.532 55.527 56.048 0.018 0.000 1.415 614 H CB 0.939 30.703 29.762 0.002 0.000 1.819 614 H HN 0.487 nan 8.280 nan 0.000 0.486 615 A N 3.674 126.617 122.820 0.205 0.000 2.601 615 A HA 0.544 4.863 4.320 -0.002 0.000 0.291 615 A C -1.478 176.194 177.584 0.147 0.000 1.075 615 A CA -0.896 51.207 52.037 0.109 0.000 0.671 615 A CB 1.516 20.619 19.000 0.172 0.000 1.277 615 A HN 0.472 nan 8.150 nan 0.000 0.417 616 K N 1.203 121.663 120.400 0.101 0.000 2.211 616 K HA 0.631 4.950 4.320 -0.002 0.000 0.275 616 K C -1.020 175.634 176.600 0.091 0.000 1.024 616 K CA -0.196 56.137 56.287 0.078 0.000 0.887 616 K CB 0.227 32.743 32.500 0.026 0.000 1.084 616 K HN 0.508 nan 8.250 nan 0.000 0.463 617 I N 5.544 126.146 120.570 0.054 0.000 2.436 617 I HA 0.054 4.223 4.170 -0.002 0.000 0.289 617 I C 1.284 177.363 176.117 -0.065 0.000 1.083 617 I CA -0.021 61.252 61.300 -0.045 0.000 1.372 617 I CB 0.934 38.901 38.000 -0.054 0.000 1.408 617 I HN 0.782 nan 8.210 nan 0.000 0.516 618 K N 4.333 124.668 120.400 -0.109 0.000 2.244 618 K HA 0.090 4.409 4.320 -0.002 0.000 0.200 618 K C 0.262 176.807 176.600 -0.092 0.000 1.052 618 K CA 0.643 56.885 56.287 -0.076 0.000 0.980 618 K CB 0.497 32.962 32.500 -0.059 0.000 0.838 618 K HN 0.796 nan 8.250 nan 0.000 0.481 619 S N -0.577 115.038 115.700 -0.140 0.000 2.567 619 S HA 0.469 4.938 4.470 -0.002 0.000 0.270 619 S C -0.928 173.562 174.600 -0.183 0.000 1.152 619 S CA -1.082 57.039 58.200 -0.131 0.000 0.835 619 S CB 1.289 64.426 63.200 -0.105 0.000 1.115 619 S HN 0.086 nan 8.310 nan 0.000 0.459 620 I N 1.511 121.977 120.570 -0.173 0.000 2.465 620 I HA 0.542 4.711 4.170 -0.002 0.000 0.291 620 I C -1.371 174.594 176.117 -0.253 0.000 1.014 620 I CA -0.302 60.854 61.300 -0.240 0.000 1.093 620 I CB 1.990 39.840 38.000 -0.250 0.000 1.267 620 I HN 0.734 nan 8.210 nan 0.000 0.431 621 D N 4.865 125.098 120.400 -0.278 0.000 2.593 621 D HA 0.369 5.008 4.640 -0.002 0.000 0.251 621 D C 0.205 176.329 176.300 -0.294 0.000 1.140 621 D CA -0.505 53.350 54.000 -0.242 0.000 0.855 621 D CB 2.155 42.850 40.800 -0.175 0.000 1.267 621 D HN 0.303 nan 8.370 nan 0.000 0.532 622 V N 1.201 120.943 119.914 -0.287 0.000 3.578 622 V HA 0.183 4.302 4.120 -0.002 0.000 0.290 622 V C 1.693 177.618 176.094 -0.282 0.000 1.376 622 V CA 0.290 62.400 62.300 -0.316 0.000 1.083 622 V CB 0.031 31.687 31.823 -0.278 0.000 0.911 622 V HN 0.398 nan 8.190 nan 0.000 0.433 623 S N 1.806 117.379 115.700 -0.212 0.000 2.393 623 S HA -0.275 4.194 4.470 -0.002 0.000 0.235 623 S C 1.910 176.388 174.600 -0.205 0.000 1.061 623 S CA 2.631 60.724 58.200 -0.179 0.000 1.129 623 S CB -0.298 62.822 63.200 -0.134 0.000 1.011 623 S HN 0.798 nan 8.310 nan 0.000 0.436 624 E N 0.617 120.699 120.200 -0.197 0.000 2.230 624 E HA 0.137 4.485 4.350 -0.002 0.000 0.192 624 E C 2.272 178.732 176.600 -0.233 0.000 0.987 624 E CA 0.778 57.073 56.400 -0.175 0.000 0.841 624 E CB -0.382 29.244 29.700 -0.124 0.000 0.783 624 E HN 0.509 nan 8.360 nan 0.000 0.481 625 A N 1.420 124.044 122.820 -0.326 0.000 1.969 625 A HA -0.192 4.127 4.320 -0.002 0.000 0.218 625 A C 2.068 179.089 177.584 -0.939 0.000 1.169 625 A CA 1.067 52.834 52.037 -0.449 0.000 0.635 625 A CB -0.420 18.364 19.000 -0.359 0.000 0.810 625 A HN 0.173 nan 8.150 nan 0.000 0.445 626 Q N -0.518 118.690 119.800 -0.988 0.000 2.291 626 Q HA -0.133 4.206 4.340 -0.002 0.000 0.206 626 Q C 1.631 177.423 176.000 -0.347 0.000 0.976 626 Q CA 1.426 56.736 55.803 -0.822 0.000 0.875 626 Q CB -0.104 28.390 28.738 -0.408 0.000 0.927 626 Q HN 0.631 nan 8.270 nan 0.000 0.450 627 K N -0.160 120.083 120.400 -0.261 0.000 2.323 627 K HA 0.099 4.418 4.320 -0.002 0.000 0.197 627 K C 0.135 176.679 176.600 -0.093 0.000 1.043 627 K CA -0.060 56.148 56.287 -0.132 0.000 0.997 627 K CB 0.708 33.143 32.500 -0.108 0.000 0.807 627 K HN -0.061 nan 8.250 nan 0.000 0.497 628 V N 4.579 124.431 119.914 -0.104 0.000 2.557 628 V HA -0.021 4.098 4.120 -0.002 0.000 0.301 628 V C -2.227 173.830 176.094 -0.060 0.000 1.026 628 V CA -1.076 61.197 62.300 -0.045 0.000 1.137 628 V CB -0.030 31.803 31.823 0.017 0.000 0.917 628 V HN 0.108 nan 8.190 nan 0.000 0.484 629 P HA 0.216 nan 4.420 nan 0.000 0.264 629 P C 0.942 177.967 177.300 -0.459 0.000 1.193 629 P CA 1.230 64.170 63.100 -0.266 0.000 0.763 629 P CB 0.569 32.077 31.700 -0.320 0.000 0.810 630 G N 2.176 110.856 108.800 -0.201 0.000 2.179 630 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.260 630 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.260 630 G C 0.111 175.044 174.900 0.056 0.000 0.977 630 G CA -0.381 44.665 45.100 -0.091 0.000 0.641 630 G HN 0.544 nan 8.290 nan 0.000 0.533 631 F N 0.693 120.609 119.950 -0.057 0.000 2.602 631 F HA 0.392 4.919 4.527 -0.002 0.000 0.367 631 F C 1.356 177.161 175.800 0.009 0.000 1.126 631 F CA 1.061 59.064 58.000 0.006 0.000 1.321 631 F CB 0.994 39.996 39.000 0.003 0.000 1.094 631 F HN -0.073 nan 8.300 nan 0.000 0.594 632 V N 3.770 123.330 119.914 -0.591 0.000 2.840 632 V HA 0.113 4.232 4.120 -0.002 0.000 0.234 632 V C 0.102 175.809 176.094 -0.644 0.000 1.159 632 V CA 1.006 63.042 62.300 -0.440 0.000 1.194 632 V CB 0.641 32.291 31.823 -0.289 0.000 0.971 632 V HN 1.017 nan 8.190 nan 0.000 0.494 633 C N -1.558 117.169 119.300 -0.955 0.000 3.241 633 C HA 0.670 5.128 4.460 -0.002 0.000 0.348 633 C C -1.056 173.726 174.990 -0.347 0.000 1.180 633 C CA -1.365 57.339 59.018 -0.523 0.000 1.273 633 C CB 0.435 28.059 27.740 -0.193 0.000 1.620 633 C HN 0.328 nan 8.230 nan 0.000 0.510 634 F N 2.530 122.477 119.950 -0.004 0.000 2.394 634 F HA 0.803 5.329 4.527 -0.002 0.000 0.340 634 F C -0.496 175.278 175.800 -0.043 0.000 1.105 634 F CA -0.913 57.125 58.000 0.063 0.000 1.124 634 F CB 0.686 39.800 39.000 0.189 0.000 1.145 634 F HN 0.688 nan 8.300 nan 0.000 0.505 635 L N 5.673 126.304 121.223 -0.986 0.000 2.334 635 L HA 0.661 5.000 4.340 -0.002 0.000 0.276 635 L C -0.353 175.693 176.870 -1.374 0.000 1.014 635 L CA -0.568 53.779 54.840 -0.821 0.000 0.815 635 L CB 1.835 43.619 42.059 -0.459 0.000 1.268 635 L HN 0.808 nan 8.230 nan 0.000 0.428 636 S N 0.454 115.681 115.700 -0.788 0.000 2.776 636 S HA 0.595 5.064 4.470 -0.002 0.000 0.292 636 S C 0.619 175.095 174.600 -0.205 0.000 1.187 636 S CA -0.157 57.641 58.200 -0.670 0.000 0.834 636 S CB 1.386 64.481 63.200 -0.174 0.000 1.199 636 S HN 0.623 nan 8.310 nan 0.000 0.514 637 A N 0.870 123.700 122.820 0.016 0.000 1.958 637 A HA -0.172 4.147 4.320 -0.002 0.000 0.221 637 A C 1.551 179.200 177.584 0.109 0.000 1.178 637 A CA 2.226 54.370 52.037 0.178 0.000 0.642 637 A CB -1.286 17.793 19.000 0.131 0.000 0.816 637 A HN 0.824 nan 8.150 nan 0.000 0.453 638 D N -0.046 120.390 120.400 0.059 0.000 2.264 638 D HA -0.098 4.541 4.640 -0.002 0.000 0.208 638 D C 1.000 177.336 176.300 0.060 0.000 0.966 638 D CA 1.065 55.096 54.000 0.052 0.000 0.864 638 D CB -0.286 40.540 40.800 0.044 0.000 0.933 638 D HN 0.510 nan 8.370 nan 0.000 0.499 639 D N 0.358 120.797 120.400 0.066 0.000 2.289 639 D HA 0.012 4.650 4.640 -0.002 0.000 0.207 639 D C 0.986 177.354 176.300 0.114 0.000 0.966 639 D CA 0.041 54.093 54.000 0.088 0.000 0.868 639 D CB 0.779 41.620 40.800 0.068 0.000 0.943 639 D HN 0.258 nan 8.370 nan 0.000 0.514 640 I N 3.554 124.183 120.570 0.098 0.000 2.742 640 I HA -0.079 4.090 4.170 -0.002 0.000 0.287 640 I C -0.900 175.200 176.117 -0.029 0.000 1.186 640 I CA -0.755 60.561 61.300 0.027 0.000 1.417 640 I CB 0.720 38.735 38.000 0.026 0.000 1.377 640 I HN -0.089 nan 8.210 nan 0.000 0.556 641 P HA 0.035 nan 4.420 nan 0.000 0.226 641 P C 1.000 178.233 177.300 -0.112 0.000 1.161 641 P CA 0.745 63.768 63.100 -0.129 0.000 0.804 641 P CB 0.470 31.983 31.700 -0.312 0.000 0.829 642 G N -0.375 108.342 108.800 -0.139 0.000 2.571 642 G HA2 0.198 4.157 3.960 -0.002 0.000 0.225 642 G HA3 0.198 4.157 3.960 -0.002 0.000 0.225 642 G C -0.191 174.667 174.900 -0.070 0.000 1.731 642 G CA 0.287 45.328 45.100 -0.099 0.000 0.858 642 G HN 0.371 nan 8.290 nan 0.000 0.611 643 S N -0.612 115.041 115.700 -0.078 0.000 2.538 643 S HA 0.408 4.877 4.470 -0.002 0.000 0.288 643 S C -0.459 174.095 174.600 -0.077 0.000 1.108 643 S CA -0.646 57.514 58.200 -0.067 0.000 0.971 643 S CB 1.744 64.902 63.200 -0.071 0.000 1.041 643 S HN 0.213 nan 8.310 nan 0.000 0.483 644 N N 2.671 121.339 118.700 -0.053 0.000 2.276 644 N HA 0.125 4.864 4.740 -0.002 0.000 0.212 644 N C -0.265 175.207 175.510 -0.063 0.000 1.127 644 N CA -0.030 52.989 53.050 -0.051 0.000 0.834 644 N CB 0.285 38.774 38.487 0.003 0.000 1.014 644 N HN 0.762 nan 8.380 nan 0.000 0.491 645 E N -0.050 120.099 120.200 -0.085 0.000 2.134 645 E HA 0.280 4.629 4.350 -0.002 0.000 0.278 645 E C -0.925 175.559 176.600 -0.193 0.000 0.959 645 E CA -0.234 56.105 56.400 -0.101 0.000 0.783 645 E CB 0.964 30.622 29.700 -0.070 0.000 1.095 645 E HN 0.030 nan 8.360 nan 0.000 0.399 646 T N 2.238 116.646 114.554 -0.242 0.000 2.696 646 T HA 0.774 5.123 4.350 -0.002 0.000 0.291 646 T C -0.623 173.820 174.700 -0.428 0.000 1.095 646 T CA 0.446 62.262 62.100 -0.473 0.000 1.026 646 T CB 1.350 69.923 68.868 -0.492 0.000 1.390 646 T HN 0.917 nan 8.240 nan 0.000 0.513 647 G N 0.498 108.891 108.800 -0.679 0.000 2.619 647 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.686 647 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.686 647 G C 0.166 175.047 174.900 -0.032 0.000 1.256 647 G CA -0.150 44.818 45.100 -0.221 0.000 0.826 647 G HN 0.939 nan 8.290 nan 0.000 0.619 648 L N -0.359 120.984 121.223 0.201 0.000 2.083 648 L HA 0.292 4.631 4.340 -0.002 0.000 0.209 648 L C 1.778 178.475 176.870 -0.289 0.000 1.083 648 L CA 2.186 57.065 54.840 0.065 0.000 0.752 648 L CB -0.318 41.785 42.059 0.074 0.000 0.899 648 L HN 0.525 nan 8.230 nan 0.000 0.433 649 F N -0.508 119.461 119.950 0.032 0.000 2.908 649 F HA 0.313 4.839 4.527 -0.002 0.000 0.328 649 F C 0.971 176.753 175.800 -0.031 0.000 1.211 649 F CA -0.698 57.301 58.000 -0.002 0.000 1.291 649 F CB -0.573 38.413 39.000 -0.024 0.000 0.962 649 F HN -0.013 nan 8.300 nan 0.000 0.505 650 N N 1.251 119.972 118.700 0.034 0.000 2.661 650 N HA -0.219 4.520 4.740 -0.002 0.000 0.249 650 N C 0.002 175.514 175.510 0.004 0.000 1.142 650 N CA 1.446 54.482 53.050 -0.024 0.000 0.727 650 N CB -0.731 37.741 38.487 -0.025 0.000 1.099 650 N HN 0.550 nan 8.380 nan 0.000 0.558 651 D N -0.389 120.029 120.400 0.031 0.000 2.587 651 D HA 0.174 4.813 4.640 -0.002 0.000 0.233 651 D C 0.108 176.419 176.300 0.017 0.000 1.213 651 D CA 0.137 54.157 54.000 0.032 0.000 0.827 651 D CB 0.183 41.003 40.800 0.033 0.000 1.006 651 D HN 0.338 nan 8.370 nan 0.000 0.490 652 E N -0.408 119.786 120.200 -0.010 0.000 2.393 652 E HA 0.415 4.764 4.350 -0.002 0.000 0.273 652 E C -0.636 175.963 176.600 -0.001 0.000 0.918 652 E CA -0.928 55.470 56.400 -0.003 0.000 0.773 652 E CB 1.931 31.610 29.700 -0.034 0.000 1.275 652 E HN 0.155 nan 8.360 nan 0.000 0.451 653 T N -1.954 112.642 114.554 0.069 0.000 2.929 653 T HA 0.285 4.634 4.350 -0.002 0.000 0.284 653 T C 0.960 175.656 174.700 -0.006 0.000 1.014 653 T CA -0.783 61.349 62.100 0.054 0.000 1.051 653 T CB 1.366 70.309 68.868 0.125 0.000 1.028 653 T HN 0.157 nan 8.240 nan 0.000 0.485 654 V N 0.557 120.407 119.914 -0.107 0.000 2.346 654 V HA 0.183 4.302 4.120 -0.002 0.000 0.244 654 V C 0.337 176.223 176.094 -0.346 0.000 1.037 654 V CA 1.028 63.152 62.300 -0.294 0.000 1.029 654 V CB -0.628 30.942 31.823 -0.421 0.000 0.663 654 V HN 0.845 nan 8.190 nan 0.000 0.454 655 F N -0.784 119.165 119.950 -0.001 0.000 2.507 655 F HA 0.707 5.233 4.527 -0.002 0.000 0.325 655 F C 0.381 176.160 175.800 -0.035 0.000 1.116 655 F CA -0.957 57.033 58.000 -0.017 0.000 0.930 655 F CB 1.251 40.229 39.000 -0.037 0.000 1.146 655 F HN 0.015 nan 8.300 nan 0.000 0.447 656 A N 3.438 126.306 122.820 0.080 0.000 2.483 656 A HA 0.219 4.538 4.320 -0.002 0.000 0.238 656 A C 0.671 178.260 177.584 0.008 0.000 1.070 656 A CA 0.001 51.976 52.037 -0.102 0.000 0.770 656 A CB 0.754 19.473 19.000 -0.467 0.000 1.008 656 A HN 1.015 nan 8.150 nan 0.000 0.497 657 K N -0.355 120.058 120.400 0.022 0.000 2.344 657 K HA 0.078 4.396 4.320 -0.002 0.000 0.229 657 K C 0.433 177.050 176.600 0.030 0.000 1.112 657 K CA 0.480 56.790 56.287 0.039 0.000 0.850 657 K CB 0.257 32.788 32.500 0.052 0.000 1.311 657 K HN 0.720 nan 8.250 nan 0.000 0.448 658 D N 0.102 120.527 120.400 0.042 0.000 2.394 658 D HA 0.025 4.664 4.640 -0.002 0.000 0.226 658 D C 0.043 176.379 176.300 0.059 0.000 0.990 658 D CA 0.811 54.836 54.000 0.041 0.000 0.902 658 D CB 0.942 41.769 40.800 0.045 0.000 1.038 658 D HN 0.371 nan 8.370 nan 0.000 0.499 659 T N -0.711 113.897 114.554 0.089 0.000 2.900 659 T HA 0.576 4.925 4.350 -0.002 0.000 0.295 659 T C -0.135 174.667 174.700 0.170 0.000 1.044 659 T CA -0.950 61.236 62.100 0.145 0.000 0.995 659 T CB 2.455 71.436 68.868 0.187 0.000 1.072 659 T HN -0.120 nan 8.240 nan 0.000 0.473 660 V N 0.294 120.350 119.914 0.237 0.000 2.532 660 V HA 0.785 4.904 4.120 -0.002 0.000 0.295 660 V C 0.745 177.091 176.094 0.421 0.000 1.041 660 V CA -0.277 62.215 62.300 0.320 0.000 0.926 660 V CB 1.055 33.036 31.823 0.265 0.000 0.992 660 V HN 1.181 nan 8.190 nan 0.000 0.457 661 T N -1.217 113.638 114.554 0.501 0.000 3.091 661 T HA 0.397 4.746 4.350 -0.002 0.000 0.277 661 T C 0.286 174.953 174.700 -0.056 0.000 0.996 661 T CA 0.386 62.515 62.100 0.049 0.000 0.897 661 T CB -0.599 68.219 68.868 -0.082 0.000 1.109 661 T HN 1.571 nan 8.240 nan 0.000 0.534 662 C N -1.636 117.695 119.300 0.052 0.000 3.275 662 C HA 0.685 5.144 4.460 -0.002 0.000 0.340 662 C C 1.293 176.328 174.990 0.075 0.000 1.366 662 C CA -0.626 58.398 59.018 0.009 0.000 1.227 662 C CB 0.789 28.496 27.740 -0.055 0.000 1.512 662 C HN 0.014 nan 8.230 nan 0.000 0.461 663 V N 1.878 121.816 119.914 0.039 0.000 2.287 663 V HA 0.020 4.139 4.120 -0.002 0.000 0.248 663 V C 2.444 178.599 176.094 0.102 0.000 1.053 663 V CA 2.901 65.232 62.300 0.053 0.000 1.027 663 V CB -0.990 30.853 31.823 0.034 0.000 0.646 663 V HN 1.239 nan 8.190 nan 0.000 0.447 664 G N -1.708 107.156 108.800 0.106 0.000 3.279 664 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.230 664 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.230 664 G C 0.340 175.355 174.900 0.192 0.000 1.230 664 G CA -0.302 44.878 45.100 0.133 0.000 0.891 664 G HN 0.644 nan 8.290 nan 0.000 0.518 665 H N 0.294 119.419 119.070 0.092 0.000 2.886 665 H HA 0.231 4.785 4.556 -0.002 0.000 0.329 665 H C 0.140 175.552 175.328 0.140 0.000 1.044 665 H CA -0.772 55.338 56.048 0.105 0.000 1.456 665 H CB 0.667 30.491 29.762 0.104 0.000 1.464 665 H HN 0.011 nan 8.280 nan 0.000 0.573 666 I N 7.038 127.833 120.570 0.375 0.000 2.471 666 I HA -0.089 4.080 4.170 -0.002 0.000 0.286 666 I C 0.806 177.039 176.117 0.193 0.000 1.079 666 I CA 0.334 61.794 61.300 0.267 0.000 1.398 666 I CB 0.922 39.081 38.000 0.265 0.000 1.403 666 I HN 0.711 nan 8.210 nan 0.000 0.530 667 I N 4.421 125.100 120.570 0.183 0.000 3.790 667 I HA 0.306 4.475 4.170 -0.002 0.000 0.305 667 I C 1.085 177.220 176.117 0.029 0.000 1.253 667 I CA 0.222 61.586 61.300 0.106 0.000 1.355 667 I CB 0.497 38.560 38.000 0.106 0.000 1.137 667 I HN 0.777 nan 8.210 nan 0.000 0.435 668 G N 0.489 109.279 108.800 -0.018 0.000 2.335 668 G HA2 0.678 4.637 3.960 -0.002 0.000 0.291 668 G HA3 0.678 4.637 3.960 -0.002 0.000 0.291 668 G C -2.061 172.679 174.900 -0.267 0.000 1.261 668 G CA 0.113 44.791 45.100 -0.704 0.000 0.871 668 G HN 0.226 nan 8.290 nan 0.000 0.491 669 A N -1.521 120.981 122.820 -0.529 0.000 2.594 669 A HA 0.748 5.067 4.320 -0.002 0.000 0.296 669 A C -1.393 176.099 177.584 -0.154 0.000 1.056 669 A CA -0.297 51.668 52.037 -0.120 0.000 0.693 669 A CB 1.482 20.528 19.000 0.077 0.000 1.278 669 A HN 1.685 nan 8.150 nan 0.000 0.408 670 V N 1.181 121.149 119.914 0.090 0.000 2.630 670 V HA 0.677 4.796 4.120 -0.002 0.000 0.305 670 V C -0.384 175.726 176.094 0.028 0.000 1.046 670 V CA -0.433 61.948 62.300 0.135 0.000 0.934 670 V CB 1.755 33.768 31.823 0.317 0.000 1.003 670 V HN 0.794 nan 8.190 nan 0.000 0.451 671 V N 3.207 123.053 119.914 -0.114 0.000 2.588 671 V HA 0.954 5.073 4.120 -0.002 0.000 0.304 671 V C 0.013 176.017 176.094 -0.150 0.000 1.042 671 V CA -0.173 62.072 62.300 -0.091 0.000 0.877 671 V CB 1.432 33.170 31.823 -0.142 0.000 0.996 671 V HN 1.122 nan 8.190 nan 0.000 0.425 672 A N 2.849 125.680 122.820 0.018 0.000 2.588 672 A HA 0.699 5.018 4.320 -0.002 0.000 0.290 672 A C 0.235 177.936 177.584 0.196 0.000 1.136 672 A CA 0.005 52.082 52.037 0.066 0.000 0.681 672 A CB 1.457 20.550 19.000 0.155 0.000 1.282 672 A HN 0.773 nan 8.150 nan 0.000 0.421 673 D N -0.250 120.277 120.400 0.211 0.000 2.363 673 D HA 0.069 4.708 4.640 -0.002 0.000 0.220 673 D C 0.592 177.071 176.300 0.298 0.000 0.994 673 D CA 1.528 55.692 54.000 0.272 0.000 0.890 673 D CB -0.179 40.744 40.800 0.205 0.000 0.906 673 D HN 0.822 nan 8.370 nan 0.000 0.530 674 T N -5.158 109.470 114.554 0.123 0.000 2.894 674 T HA 0.429 4.778 4.350 -0.002 0.000 0.309 674 T C -2.572 171.836 174.700 -0.487 0.000 1.208 674 T CA -1.601 60.266 62.100 -0.388 0.000 1.016 674 T CB 2.355 71.003 68.868 -0.366 0.000 1.192 674 T HN -0.412 nan 8.240 nan 0.000 0.491 675 P HA -0.012 nan 4.420 nan 0.000 0.219 675 P C 1.054 178.253 177.300 -0.168 0.000 1.146 675 P CA 1.003 63.880 63.100 -0.371 0.000 0.808 675 P CB 0.178 31.666 31.700 -0.352 0.000 0.779 676 E N -1.538 118.512 120.200 -0.250 0.000 2.028 676 E HA -0.178 4.171 4.350 -0.002 0.000 0.191 676 E C 2.121 178.677 176.600 -0.075 0.000 0.988 676 E CA 1.111 57.397 56.400 -0.191 0.000 0.799 676 E CB -0.809 28.701 29.700 -0.317 0.000 0.755 676 E HN 0.369 nan 8.360 nan 0.000 0.447 677 H N 0.032 119.100 119.070 -0.003 0.000 2.387 677 H HA 0.010 4.564 4.556 -0.002 0.000 0.299 677 H C 1.963 177.354 175.328 0.106 0.000 1.090 677 H CA 1.275 57.358 56.048 0.057 0.000 1.332 677 H CB -0.678 29.123 29.762 0.065 0.000 1.386 677 H HN 0.222 nan 8.280 nan 0.000 0.516 678 A N 1.140 124.085 122.820 0.209 0.000 1.859 678 A HA -0.284 4.035 4.320 -0.002 0.000 0.217 678 A C 2.394 180.088 177.584 0.183 0.000 1.198 678 A CA 2.132 54.286 52.037 0.194 0.000 0.629 678 A CB -0.763 18.341 19.000 0.174 0.000 0.830 678 A HN 0.547 nan 8.150 nan 0.000 0.446 679 E N -0.660 119.620 120.200 0.132 0.000 2.070 679 E HA -0.266 4.083 4.350 -0.002 0.000 0.197 679 E C 2.322 179.015 176.600 0.156 0.000 1.004 679 E CA 1.544 58.018 56.400 0.124 0.000 0.805 679 E CB -0.120 29.619 29.700 0.066 0.000 0.744 679 E HN 0.588 nan 8.360 nan 0.000 0.451 680 R N -0.346 120.248 120.500 0.157 0.000 2.066 680 R HA -0.093 4.246 4.340 -0.002 0.000 0.232 680 R C 2.429 178.839 176.300 0.184 0.000 1.131 680 R CA 1.085 57.288 56.100 0.172 0.000 0.955 680 R CB -0.280 30.120 30.300 0.167 0.000 0.851 680 R HN 0.204 nan 8.270 nan 0.000 0.432 681 A N 1.040 123.982 122.820 0.205 0.000 1.877 681 A HA -0.145 4.174 4.320 -0.002 0.000 0.216 681 A C 2.334 180.035 177.584 0.194 0.000 1.186 681 A CA 1.808 53.971 52.037 0.211 0.000 0.620 681 A CB -0.701 18.538 19.000 0.399 0.000 0.822 681 A HN 0.424 nan 8.150 nan 0.000 0.443 682 A N -0.941 122.016 122.820 0.228 0.000 1.877 682 A HA -0.184 4.134 4.320 -0.002 0.000 0.216 682 A C 2.023 179.706 177.584 0.165 0.000 1.186 682 A CA 2.091 54.256 52.037 0.214 0.000 0.620 682 A CB -0.996 18.134 19.000 0.218 0.000 0.822 682 A HN 0.771 nan 8.150 nan 0.000 0.443 683 H N -0.923 118.206 119.070 0.098 0.000 2.489 683 H HA -0.020 4.535 4.556 -0.002 0.000 0.295 683 H C 1.289 176.646 175.328 0.048 0.000 1.082 683 H CA 1.719 57.811 56.048 0.073 0.000 1.295 683 H CB -0.047 29.754 29.762 0.065 0.000 1.380 683 H HN 0.145 nan 8.280 nan 0.000 0.548 684 V N 0.554 120.415 119.914 -0.088 0.000 3.542 684 V HA 0.110 4.229 4.120 -0.002 0.000 0.296 684 V C 0.066 176.069 176.094 -0.152 0.000 1.364 684 V CA 0.067 62.273 62.300 -0.156 0.000 1.118 684 V CB 0.164 31.949 31.823 -0.062 0.000 0.972 684 V HN 0.118 nan 8.190 nan 0.000 0.430 685 V N 2.027 121.865 119.914 -0.127 0.000 2.479 685 V HA 0.154 4.273 4.120 -0.002 0.000 0.281 685 V C 0.253 176.246 176.094 -0.168 0.000 1.031 685 V CA -0.267 61.928 62.300 -0.176 0.000 1.038 685 V CB 0.842 32.562 31.823 -0.172 0.000 0.981 685 V HN 0.369 nan 8.190 nan 0.000 0.478 686 K N 4.294 124.585 120.400 -0.183 0.000 2.262 686 K HA 0.472 4.791 4.320 -0.002 0.000 0.282 686 K C -0.664 175.822 176.600 -0.190 0.000 1.066 686 K CA -0.149 56.047 56.287 -0.152 0.000 0.901 686 K CB 1.324 33.746 32.500 -0.130 0.000 1.089 686 K HN 0.492 nan 8.250 nan 0.000 0.476 687 V N 2.771 122.571 119.914 -0.190 0.000 2.481 687 V HA 0.331 4.449 4.120 -0.002 0.000 0.286 687 V C 0.072 175.912 176.094 -0.423 0.000 1.042 687 V CA -0.805 61.274 62.300 -0.368 0.000 0.928 687 V CB 1.620 33.124 31.823 -0.532 0.000 0.986 687 V HN 0.714 nan 8.190 nan 0.000 0.462 688 T N 4.709 119.012 114.554 -0.419 0.000 2.795 688 T HA 0.619 4.968 4.350 -0.002 0.000 0.282 688 T C -0.769 173.706 174.700 -0.376 0.000 0.980 688 T CA -0.058 61.879 62.100 -0.270 0.000 1.012 688 T CB 0.501 69.278 68.868 -0.151 0.000 0.936 688 T HN 0.462 nan 8.240 nan 0.000 0.457 689 Y N 1.068 121.363 120.300 -0.009 0.000 2.567 689 Y HA 0.543 5.091 4.550 -0.002 0.000 0.333 689 Y C 0.627 176.523 175.900 -0.007 0.000 1.106 689 Y CA -1.145 56.954 58.100 -0.002 0.000 1.157 689 Y CB 1.520 39.985 38.460 0.008 0.000 1.277 689 Y HN 0.549 nan 8.280 nan 0.000 0.490 690 E N 1.368 121.676 120.200 0.180 0.000 2.279 690 E HA 0.197 4.546 4.350 -0.002 0.000 0.252 690 E C -1.700 174.937 176.600 0.062 0.000 0.894 690 E CA -0.778 55.675 56.400 0.087 0.000 0.785 690 E CB 0.655 30.378 29.700 0.039 0.000 1.237 690 E HN 0.507 nan 8.360 nan 0.000 0.418 691 D N 3.286 123.709 120.400 0.037 0.000 2.443 691 D HA 0.153 4.792 4.640 -0.002 0.000 0.239 691 D C -0.339 175.928 176.300 -0.055 0.000 1.136 691 D CA 0.626 54.624 54.000 -0.004 0.000 0.879 691 D CB 0.665 41.460 40.800 -0.008 0.000 1.195 691 D HN 0.404 nan 8.370 nan 0.000 0.443 692 L N 3.398 124.552 121.223 -0.114 0.000 2.341 692 L HA 0.404 4.743 4.340 -0.002 0.000 0.267 692 L C -2.101 174.687 176.870 -0.136 0.000 1.009 692 L CA -2.054 52.651 54.840 -0.224 0.000 0.819 692 L CB 2.035 43.741 42.059 -0.589 0.000 1.323 692 L HN 0.198 nan 8.230 nan 0.000 0.425 693 P HA 0.074 nan 4.420 nan 0.000 0.262 693 P C -1.146 176.207 177.300 0.089 0.000 1.182 693 P CA -0.006 63.089 63.100 -0.009 0.000 0.761 693 P CB 0.643 32.336 31.700 -0.011 0.000 0.795 694 A N 4.250 127.111 122.820 0.068 0.000 2.356 694 A HA 0.631 4.950 4.320 -0.002 0.000 0.310 694 A C -0.294 177.291 177.584 0.002 0.000 1.075 694 A CA -0.838 51.250 52.037 0.085 0.000 0.746 694 A CB 0.757 19.794 19.000 0.061 0.000 1.221 694 A HN 0.462 nan 8.150 nan 0.000 0.443 695 I N 3.640 124.188 120.570 -0.036 0.000 2.304 695 I HA 0.263 4.432 4.170 -0.002 0.000 0.291 695 I C 0.247 176.301 176.117 -0.106 0.000 1.018 695 I CA 0.012 61.261 61.300 -0.085 0.000 1.260 695 I CB 1.130 39.057 38.000 -0.123 0.000 1.390 695 I HN 0.699 nan 8.210 nan 0.000 0.475 696 I N 3.293 123.801 120.570 -0.102 0.000 2.900 696 I HA 0.012 4.181 4.170 -0.002 0.000 0.251 696 I C 1.399 177.439 176.117 -0.128 0.000 1.102 696 I CA 0.632 61.855 61.300 -0.129 0.000 1.457 696 I CB 0.149 38.071 38.000 -0.130 0.000 1.285 696 I HN 0.636 nan 8.210 nan 0.000 0.459 697 T N -1.360 113.135 114.554 -0.099 0.000 2.874 697 T HA 0.349 4.698 4.350 -0.002 0.000 0.281 697 T C 1.293 175.959 174.700 -0.057 0.000 0.994 697 T CA -0.420 61.636 62.100 -0.073 0.000 1.015 697 T CB 1.104 69.930 68.868 -0.070 0.000 1.028 697 T HN 0.082 nan 8.240 nan 0.000 0.523 698 I N 0.593 121.159 120.570 -0.006 0.000 2.208 698 I HA -0.183 3.986 4.170 -0.002 0.000 0.245 698 I C 2.585 178.664 176.117 -0.064 0.000 1.097 698 I CA 1.529 62.835 61.300 0.009 0.000 1.363 698 I CB -0.408 37.657 38.000 0.108 0.000 1.051 698 I HN 0.701 nan 8.210 nan 0.000 0.413 699 E N 0.821 120.978 120.200 -0.071 0.000 2.085 699 E HA -0.220 4.129 4.350 -0.002 0.000 0.194 699 E C 1.795 178.338 176.600 -0.095 0.000 0.994 699 E CA 1.328 57.674 56.400 -0.090 0.000 0.801 699 E CB -0.296 29.360 29.700 -0.072 0.000 0.743 699 E HN 0.441 nan 8.360 nan 0.000 0.453 700 D N 0.065 120.409 120.400 -0.093 0.000 2.117 700 D HA -0.118 4.521 4.640 -0.002 0.000 0.197 700 D C 1.856 178.066 176.300 -0.149 0.000 0.987 700 D CA 1.446 55.384 54.000 -0.103 0.000 0.829 700 D CB -0.337 40.406 40.800 -0.094 0.000 0.961 700 D HN 0.209 nan 8.370 nan 0.000 0.460 701 A N 0.918 123.630 122.820 -0.180 0.000 1.877 701 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 701 A C 2.390 179.733 177.584 -0.401 0.000 1.186 701 A CA 1.014 52.868 52.037 -0.305 0.000 0.620 701 A CB -0.772 18.064 19.000 -0.274 0.000 0.822 701 A HN 0.166 nan 8.150 nan 0.000 0.443 702 I N -0.555 119.889 120.570 -0.210 0.000 2.099 702 I HA -0.298 3.870 4.170 -0.002 0.000 0.239 702 I C 2.560 178.635 176.117 -0.070 0.000 1.066 702 I CA 2.009 63.275 61.300 -0.056 0.000 1.324 702 I CB -0.296 37.656 38.000 -0.082 0.000 1.037 702 I HN 0.335 nan 8.210 nan 0.000 0.401 703 K N 0.878 121.226 120.400 -0.086 0.000 2.074 703 K HA -0.208 4.111 4.320 -0.002 0.000 0.209 703 K C 1.481 178.036 176.600 -0.076 0.000 1.048 703 K CA 1.741 57.991 56.287 -0.062 0.000 0.926 703 K CB -0.169 32.293 32.500 -0.064 0.000 0.713 703 K HN 0.404 nan 8.250 nan 0.000 0.444 704 N N 1.317 119.939 118.700 -0.130 0.000 2.370 704 N HA -0.085 4.654 4.740 -0.002 0.000 0.198 704 N C -0.384 175.018 175.510 -0.181 0.000 1.156 704 N CA 0.087 53.056 53.050 -0.136 0.000 0.839 704 N CB -0.086 38.314 38.487 -0.145 0.000 0.989 704 N HN 0.244 nan 8.380 nan 0.000 0.468 705 N N 1.077 119.657 118.700 -0.200 0.000 2.686 705 N HA -0.211 4.528 4.740 -0.002 0.000 0.261 705 N C -1.114 174.102 175.510 -0.490 0.000 1.001 705 N CA 0.344 53.267 53.050 -0.212 0.000 0.764 705 N CB -0.913 37.605 38.487 0.052 0.000 0.898 705 N HN 0.017 nan 8.380 nan 0.000 0.544 706 S N 1.515 116.648 115.700 -0.945 0.000 2.475 706 S HA 0.611 5.079 4.470 -0.002 0.000 0.249 706 S C -0.856 173.210 174.600 -0.890 0.000 1.298 706 S CA -0.657 57.118 58.200 -0.709 0.000 1.125 706 S CB -0.226 62.697 63.200 -0.460 0.000 1.054 706 S HN 0.320 nan 8.310 nan 0.000 0.484 707 F N 2.158 122.007 119.950 -0.169 0.000 2.611 707 F HA 0.517 5.043 4.527 -0.002 0.000 0.324 707 F C -0.549 175.105 175.800 -0.244 0.000 1.061 707 F CA -1.283 56.606 58.000 -0.185 0.000 0.954 707 F CB 1.164 40.133 39.000 -0.052 0.000 1.301 707 F HN 0.300 nan 8.300 nan 0.000 0.482 708 Y N 1.000 121.409 120.300 0.181 0.000 2.327 708 Y HA 0.506 5.055 4.550 -0.002 0.000 0.336 708 Y C 0.835 176.771 175.900 0.060 0.000 1.035 708 Y CA -0.111 58.034 58.100 0.075 0.000 1.165 708 Y CB 0.930 39.397 38.460 0.012 0.000 1.181 708 Y HN 0.911 nan 8.280 nan 0.000 0.494 709 G N 1.862 110.778 108.800 0.192 0.000 2.752 709 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.234 709 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.234 709 G C -0.156 174.779 174.900 0.059 0.000 1.367 709 G CA -0.368 44.794 45.100 0.103 0.000 0.879 709 G HN 0.931 nan 8.290 nan 0.000 0.563 710 S N -1.165 114.541 115.700 0.011 0.000 2.677 710 S HA 0.681 5.150 4.470 -0.002 0.000 0.290 710 S C 0.264 174.797 174.600 -0.111 0.000 1.124 710 S CA 0.316 58.488 58.200 -0.046 0.000 1.017 710 S CB 1.570 64.754 63.200 -0.027 0.000 1.215 710 S HN 1.105 nan 8.310 nan 0.000 0.524 711 E N 0.110 120.229 120.200 -0.135 0.000 2.290 711 E HA 0.272 4.621 4.350 -0.002 0.000 0.277 711 E C -0.995 175.523 176.600 -0.137 0.000 1.035 711 E CA -0.322 55.976 56.400 -0.170 0.000 0.873 711 E CB 0.274 29.884 29.700 -0.149 0.000 1.029 711 E HN 0.448 nan 8.360 nan 0.000 0.419 712 L N 4.586 125.696 121.223 -0.188 0.000 2.395 712 L HA 0.390 4.729 4.340 -0.002 0.000 0.269 712 L C 0.220 177.072 176.870 -0.030 0.000 1.133 712 L CA 0.008 54.740 54.840 -0.180 0.000 0.812 712 L CB 0.854 42.709 42.059 -0.341 0.000 1.125 712 L HN 0.513 nan 8.230 nan 0.000 0.452 713 K N 3.107 123.587 120.400 0.132 0.000 2.543 713 K HA 0.566 4.884 4.320 -0.002 0.000 0.255 713 K C -1.698 175.059 176.600 0.263 0.000 0.934 713 K CA -0.517 55.869 56.287 0.166 0.000 0.810 713 K CB 1.836 34.400 32.500 0.106 0.000 1.315 713 K HN 0.441 nan 8.250 nan 0.000 0.433 714 I N 2.590 123.274 120.570 0.189 0.000 2.406 714 I HA 0.341 4.509 4.170 -0.002 0.000 0.290 714 I C -0.722 175.497 176.117 0.169 0.000 0.999 714 I CA -0.596 60.809 61.300 0.175 0.000 1.124 714 I CB 2.026 40.142 38.000 0.194 0.000 1.289 714 I HN 0.575 nan 8.210 nan 0.000 0.441 715 E N 6.377 126.662 120.200 0.142 0.000 2.246 715 E HA 0.465 4.814 4.350 -0.002 0.000 0.266 715 E C -1.318 175.340 176.600 0.097 0.000 0.880 715 E CA -0.832 55.634 56.400 0.110 0.000 0.762 715 E CB 2.191 31.940 29.700 0.082 0.000 1.180 715 E HN 0.482 nan 8.360 nan 0.000 0.416 716 K N 2.925 123.376 120.400 0.084 0.000 2.375 716 K HA 0.695 5.013 4.320 -0.002 0.000 0.249 716 K C 0.106 176.719 176.600 0.023 0.000 0.942 716 K CA 0.234 56.557 56.287 0.060 0.000 0.806 716 K CB 1.622 34.170 32.500 0.080 0.000 1.227 716 K HN 0.677 nan 8.250 nan 0.000 0.430 717 G N 2.056 110.860 108.800 0.007 0.000 2.569 717 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.259 717 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.259 717 G C -1.180 173.709 174.900 -0.018 0.000 1.263 717 G CA 0.182 45.273 45.100 -0.016 0.000 0.928 717 G HN 0.738 nan 8.290 nan 0.000 0.572 718 D N -0.066 120.311 120.400 -0.039 0.000 2.696 718 D HA 0.491 5.130 4.640 -0.002 0.000 0.251 718 D C 1.592 177.853 176.300 -0.065 0.000 1.188 718 D CA -0.501 53.479 54.000 -0.033 0.000 0.876 718 D CB 1.529 42.315 40.800 -0.022 0.000 1.334 718 D HN 0.295 nan 8.370 nan 0.000 0.540 719 L N 2.420 123.617 121.223 -0.044 0.000 1.973 719 L HA -0.001 4.338 4.340 -0.002 0.000 0.208 719 L C 1.567 178.432 176.870 -0.008 0.000 1.073 719 L CA 0.832 55.625 54.840 -0.078 0.000 0.746 719 L CB -0.205 41.890 42.059 0.061 0.000 0.891 719 L HN 0.264 nan 8.230 nan 0.000 0.433 720 K N 1.266 121.724 120.400 0.097 0.000 2.253 720 K HA -0.107 4.212 4.320 -0.002 0.000 0.273 720 K C 0.491 177.114 176.600 0.038 0.000 1.118 720 K CA 0.743 57.095 56.287 0.109 0.000 1.100 720 K CB 0.076 32.626 32.500 0.082 0.000 0.932 720 K HN 0.218 nan 8.250 nan 0.000 0.433 721 K N 1.320 121.734 120.400 0.023 0.000 2.562 721 K HA -0.113 4.206 4.320 -0.002 0.000 0.401 721 K C 1.137 177.699 176.600 -0.064 0.000 0.502 721 K CA 0.772 57.049 56.287 -0.017 0.000 1.718 721 K CB -1.461 31.025 32.500 -0.024 0.000 0.798 721 K HN 0.592 nan 8.250 nan 0.000 0.497 722 G N 0.827 109.542 108.800 -0.141 0.000 2.404 722 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.214 722 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.214 722 G C 1.238 175.993 174.900 -0.241 0.000 1.189 722 G CA 0.997 45.938 45.100 -0.266 0.000 0.789 722 G HN 0.208 nan 8.290 nan 0.000 0.533 723 F N 1.173 121.097 119.950 -0.044 0.000 2.259 723 F HA 0.015 4.541 4.527 -0.002 0.000 0.298 723 F C 3.102 178.871 175.800 -0.052 0.000 1.088 723 F CA 0.881 58.850 58.000 -0.051 0.000 1.358 723 F CB 0.105 39.078 39.000 -0.045 0.000 1.040 723 F HN 0.076 nan 8.300 nan 0.000 0.505 724 S N -0.227 115.543 115.700 0.117 0.000 2.355 724 S HA -0.220 4.249 4.470 -0.002 0.000 0.222 724 S C 1.880 176.488 174.600 0.013 0.000 1.031 724 S CA 1.408 59.638 58.200 0.051 0.000 0.993 724 S CB -0.269 62.950 63.200 0.032 0.000 0.859 724 S HN 0.327 nan 8.310 nan 0.000 0.453 725 E N 1.788 121.983 120.200 -0.009 0.000 2.409 725 E HA 0.101 4.450 4.350 -0.002 0.000 0.198 725 E C 0.396 176.973 176.600 -0.039 0.000 1.024 725 E CA 0.405 56.788 56.400 -0.029 0.000 0.861 725 E CB -0.196 29.477 29.700 -0.044 0.000 0.788 725 E HN 0.411 nan 8.360 nan 0.000 0.521 726 A N 0.646 123.447 122.820 -0.030 0.000 2.363 726 A HA 0.161 4.480 4.320 -0.002 0.000 0.270 726 A C 0.574 178.098 177.584 -0.100 0.000 1.121 726 A CA -0.239 51.762 52.037 -0.060 0.000 0.800 726 A CB 0.507 19.503 19.000 -0.008 0.000 1.052 726 A HN 0.138 nan 8.150 nan 0.000 0.493 727 D N 1.072 121.376 120.400 -0.161 0.000 2.075 727 D HA -0.051 4.588 4.640 -0.002 0.000 0.196 727 D C 0.254 176.387 176.300 -0.277 0.000 0.985 727 D CA 1.389 55.276 54.000 -0.188 0.000 0.834 727 D CB 0.056 40.749 40.800 -0.179 0.000 0.987 727 D HN 0.687 nan 8.370 nan 0.000 0.452 728 N N -0.125 118.239 118.700 -0.560 0.000 2.384 728 N HA 0.358 5.097 4.740 -0.002 0.000 0.301 728 N C -1.055 174.101 175.510 -0.591 0.000 1.133 728 N CA -0.417 52.238 53.050 -0.659 0.000 0.853 728 N CB 3.221 41.138 38.487 -0.949 0.000 1.241 728 N HN -0.207 nan 8.380 nan 0.000 0.502 729 V N 2.033 121.821 119.914 -0.210 0.000 2.439 729 V HA 0.154 4.273 4.120 -0.002 0.000 0.277 729 V C -0.260 175.903 176.094 0.115 0.000 1.008 729 V CA -0.623 61.687 62.300 0.017 0.000 0.846 729 V CB 1.640 33.450 31.823 -0.020 0.000 1.031 729 V HN 0.370 nan 8.190 nan 0.000 0.441 730 V N 5.333 125.446 119.914 0.332 0.000 2.498 730 V HA 0.626 4.745 4.120 -0.002 0.000 0.279 730 V C 0.476 176.643 176.094 0.122 0.000 1.048 730 V CA 0.168 62.619 62.300 0.251 0.000 0.967 730 V CB 1.894 33.927 31.823 0.349 0.000 0.988 730 V HN 0.982 nan 8.190 nan 0.000 0.473 731 S N 3.022 118.709 115.700 -0.023 0.000 2.667 731 S HA 1.031 5.500 4.470 -0.002 0.000 0.292 731 S C -0.190 174.151 174.600 -0.431 0.000 1.126 731 S CA -0.144 57.919 58.200 -0.228 0.000 0.881 731 S CB 2.379 65.467 63.200 -0.187 0.000 1.132 731 S HN 1.340 nan 8.310 nan 0.000 0.492 732 G N -0.285 108.015 108.800 -0.833 0.000 2.356 732 G HA2 0.476 4.435 3.960 -0.002 0.000 0.281 732 G HA3 0.476 4.435 3.960 -0.002 0.000 0.281 732 G C -2.160 172.392 174.900 -0.580 0.000 1.246 732 G CA -0.606 44.112 45.100 -0.638 0.000 0.889 732 G HN 0.893 nan 8.290 nan 0.000 0.486 733 E N -0.835 119.316 120.200 -0.081 0.000 2.290 733 E HA 0.591 4.940 4.350 -0.002 0.000 0.274 733 E C -1.956 174.877 176.600 0.388 0.000 0.889 733 E CA -0.672 55.842 56.400 0.191 0.000 0.760 733 E CB 2.421 32.189 29.700 0.114 0.000 1.206 733 E HN 0.489 nan 8.360 nan 0.000 0.419 734 L N 4.248 125.747 121.223 0.459 0.000 2.354 734 L HA 0.609 4.948 4.340 -0.002 0.000 0.264 734 L C -1.893 175.242 176.870 0.440 0.000 1.008 734 L CA -0.711 54.375 54.840 0.411 0.000 0.819 734 L CB 1.777 44.025 42.059 0.314 0.000 1.339 734 L HN 0.624 nan 8.230 nan 0.000 0.420 735 Y N 4.081 124.558 120.300 0.294 0.000 2.421 735 Y HA 0.656 5.205 4.550 -0.002 0.000 0.339 735 Y C -1.373 174.690 175.900 0.271 0.000 0.996 735 Y CA -0.964 57.299 58.100 0.271 0.000 1.046 735 Y CB 1.689 40.276 38.460 0.211 0.000 1.226 735 Y HN 0.595 nan 8.280 nan 0.000 0.445 736 I N 5.979 126.339 120.570 -0.349 0.000 2.410 736 I HA 0.738 4.907 4.170 -0.002 0.000 0.286 736 I C 0.073 175.818 176.117 -0.620 0.000 1.009 736 I CA -0.345 60.737 61.300 -0.364 0.000 1.111 736 I CB 1.043 38.914 38.000 -0.216 0.000 1.262 736 I HN 0.818 nan 8.210 nan 0.000 0.443 737 G N 4.512 113.080 108.800 -0.386 0.000 2.606 737 G HA2 0.445 4.404 3.960 -0.002 0.000 0.252 737 G HA3 0.445 4.404 3.960 -0.002 0.000 0.252 737 G C 0.395 175.235 174.900 -0.099 0.000 1.206 737 G CA -0.057 44.956 45.100 -0.145 0.000 0.861 737 G HN 0.903 nan 8.290 nan 0.000 0.561 738 G N -1.411 107.411 108.800 0.037 0.000 2.479 738 G HA2 0.469 4.428 3.960 -0.002 0.000 0.275 738 G HA3 0.469 4.428 3.960 -0.002 0.000 0.275 738 G C -0.149 174.743 174.900 -0.012 0.000 1.421 738 G CA -0.076 45.044 45.100 0.033 0.000 1.059 738 G HN 0.750 nan 8.290 nan 0.000 0.535 739 Q N -1.520 118.285 119.800 0.009 0.000 2.468 739 Q HA 0.249 4.588 4.340 -0.002 0.000 0.263 739 Q C -2.182 173.919 176.000 0.168 0.000 0.979 739 Q CA -0.667 55.161 55.803 0.041 0.000 0.932 739 Q CB 2.202 30.732 28.738 -0.347 0.000 1.462 739 Q HN 0.595 nan 8.270 nan 0.000 0.403 740 D N -0.008 120.493 120.400 0.168 0.000 2.210 740 D HA 0.212 4.851 4.640 -0.002 0.000 0.249 740 D C 0.551 176.935 176.300 0.139 0.000 1.062 740 D CA 0.084 54.082 54.000 -0.004 0.000 0.891 740 D CB 0.912 41.495 40.800 -0.362 0.000 1.186 740 D HN 0.584 nan 8.370 nan 0.000 0.432 741 H N 2.911 121.926 119.070 -0.093 0.000 2.387 741 H HA -0.036 4.518 4.556 -0.002 0.000 0.299 741 H C 0.489 175.654 175.328 -0.271 0.000 1.099 741 H CA 1.055 56.814 56.048 -0.482 0.000 1.315 741 H CB -0.276 29.155 29.762 -0.551 0.000 1.380 741 H HN 0.497 nan 8.280 nan 0.000 0.513 742 F N 0.745 120.426 119.950 -0.448 0.000 2.907 742 F HA -0.272 4.254 4.527 -0.002 0.000 0.244 742 F C -0.792 174.908 175.800 -0.167 0.000 1.007 742 F CA -0.493 57.334 58.000 -0.288 0.000 0.872 742 F CB -1.525 37.463 39.000 -0.020 0.000 0.767 742 F HN 0.152 nan 8.300 nan 0.000 0.837 743 Y N 0.053 120.490 120.300 0.228 0.000 2.377 743 Y HA 0.280 4.829 4.550 -0.002 0.000 0.330 743 Y C 0.994 176.946 175.900 0.087 0.000 1.108 743 Y CA -1.646 56.619 58.100 0.274 0.000 1.308 743 Y CB 0.109 38.646 38.460 0.128 0.000 1.216 743 Y HN 0.083 nan 8.280 nan 0.000 0.518 744 L N 1.353 122.752 121.223 0.293 0.000 2.079 744 L HA -0.140 4.199 4.340 -0.002 0.000 0.210 744 L C 1.156 178.063 176.870 0.063 0.000 1.081 744 L CA 1.551 56.481 54.840 0.151 0.000 0.752 744 L CB -0.564 41.567 42.059 0.120 0.000 0.896 744 L HN 0.874 nan 8.230 nan 0.000 0.433 745 E N 0.723 120.943 120.200 0.035 0.000 2.229 745 E HA 0.130 4.479 4.350 -0.002 0.000 0.283 745 E C 0.059 176.650 176.600 -0.016 0.000 1.030 745 E CA -0.286 56.085 56.400 -0.047 0.000 0.836 745 E CB 1.014 30.629 29.700 -0.141 0.000 1.068 745 E HN 0.264 nan 8.360 nan 0.000 0.401 746 T N 1.581 116.134 114.554 -0.001 0.000 2.729 746 T HA 0.124 4.473 4.350 -0.002 0.000 0.298 746 T C 0.600 175.189 174.700 -0.185 0.000 1.013 746 T CA -0.581 61.529 62.100 0.017 0.000 0.957 746 T CB 0.347 69.278 68.868 0.107 0.000 1.130 746 T HN 0.463 nan 8.240 nan 0.000 0.526 747 H N -1.209 117.803 119.070 -0.098 0.000 2.871 747 H HA 0.343 4.898 4.556 -0.002 0.000 0.355 747 H C -0.207 175.101 175.328 -0.033 0.000 1.092 747 H CA -0.004 55.979 56.048 -0.108 0.000 1.420 747 H CB 0.513 30.238 29.762 -0.062 0.000 1.400 747 H HN 0.631 nan 8.280 nan 0.000 0.604 748 C N 2.286 121.630 119.300 0.073 0.000 2.985 748 C HA 0.392 4.851 4.460 -0.002 0.000 0.332 748 C C -0.721 174.316 174.990 0.079 0.000 1.164 748 C CA -0.180 58.882 59.018 0.074 0.000 1.347 748 C CB 1.435 29.205 27.740 0.049 0.000 1.764 748 C HN 0.895 nan 8.230 nan 0.000 0.489 749 T N 5.320 119.926 114.554 0.087 0.000 3.032 749 T HA 0.536 4.885 4.350 -0.002 0.000 0.312 749 T C -1.061 173.697 174.700 0.098 0.000 1.078 749 T CA -0.177 61.977 62.100 0.092 0.000 1.028 749 T CB 1.052 69.964 68.868 0.074 0.000 1.091 749 T HN 0.528 nan 8.240 nan 0.000 0.457 750 I N 2.511 123.169 120.570 0.147 0.000 2.354 750 I HA 0.697 4.865 4.170 -0.002 0.000 0.292 750 I C 0.132 176.372 176.117 0.206 0.000 0.989 750 I CA -0.784 60.615 61.300 0.164 0.000 1.188 750 I CB 1.492 39.606 38.000 0.190 0.000 1.342 750 I HN 0.704 nan 8.210 nan 0.000 0.457 751 A N 7.860 130.763 122.820 0.138 0.000 2.304 751 A HA 0.805 5.124 4.320 -0.002 0.000 0.314 751 A C -0.639 177.018 177.584 0.122 0.000 1.187 751 A CA -0.442 51.661 52.037 0.111 0.000 0.810 751 A CB 0.555 19.597 19.000 0.070 0.000 1.183 751 A HN 0.682 nan 8.150 nan 0.000 0.487 752 I N 4.683 125.331 120.570 0.129 0.000 2.354 752 I HA 0.328 4.497 4.170 -0.002 0.000 0.286 752 I C -2.303 173.837 176.117 0.039 0.000 1.007 752 I CA -2.117 59.244 61.300 0.102 0.000 1.167 752 I CB 2.197 40.307 38.000 0.183 0.000 1.320 752 I HN 0.405 nan 8.210 nan 0.000 0.458 753 P HA 0.194 nan 4.420 nan 0.000 0.287 753 P C -0.177 177.109 177.300 -0.024 0.000 1.294 753 P CA -0.577 62.530 63.100 0.012 0.000 0.776 753 P CB 1.384 33.095 31.700 0.018 0.000 0.889 754 K N 2.447 122.838 120.400 -0.015 0.000 2.366 754 K HA 0.047 4.366 4.320 -0.002 0.000 0.198 754 K C 1.624 178.200 176.600 -0.040 0.000 1.044 754 K CA 0.998 57.266 56.287 -0.032 0.000 0.973 754 K CB -0.759 31.731 32.500 -0.017 0.000 0.767 754 K HN 0.819 nan 8.250 nan 0.000 0.475 755 G N 1.447 110.228 108.800 -0.032 0.000 2.284 755 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.247 755 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.247 755 G C -0.230 174.658 174.900 -0.021 0.000 1.012 755 G CA 0.254 45.332 45.100 -0.037 0.000 0.618 755 G HN 0.441 nan 8.290 nan 0.000 0.521 756 E N 0.653 120.845 120.200 -0.013 0.000 2.166 756 E HA 0.583 4.932 4.350 -0.002 0.000 0.275 756 E C 0.287 176.890 176.600 0.005 0.000 0.941 756 E CA -0.704 55.693 56.400 -0.006 0.000 0.784 756 E CB 1.189 30.884 29.700 -0.009 0.000 1.115 756 E HN 0.119 nan 8.360 nan 0.000 0.399 757 E N 1.311 121.517 120.200 0.010 0.000 2.883 757 E HA -0.259 4.090 4.350 -0.002 0.000 0.271 757 E C 0.710 177.324 176.600 0.023 0.000 1.049 757 E CA 1.168 57.576 56.400 0.014 0.000 0.817 757 E CB -1.589 28.115 29.700 0.006 0.000 1.407 757 E HN 1.140 nan 8.360 nan 0.000 0.434 758 G N 0.351 109.174 108.800 0.039 0.000 2.179 758 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.257 758 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.257 758 G C 0.131 175.053 174.900 0.037 0.000 1.010 758 G CA 0.847 45.983 45.100 0.059 0.000 0.736 758 G HN 0.395 nan 8.290 nan 0.000 0.513 759 E N -0.742 119.470 120.200 0.019 0.000 2.415 759 E HA 0.485 4.834 4.350 -0.002 0.000 0.262 759 E C 0.408 177.014 176.600 0.009 0.000 1.038 759 E CA 0.385 56.789 56.400 0.006 0.000 0.921 759 E CB 0.756 30.454 29.700 -0.002 0.000 0.950 759 E HN 0.456 nan 8.360 nan 0.000 0.438 760 M N 1.944 121.542 119.600 -0.004 0.000 2.413 760 M HA 0.207 4.686 4.480 -0.002 0.000 0.287 760 M C -1.771 174.507 176.300 -0.036 0.000 1.186 760 M CA -0.373 54.925 55.300 -0.004 0.000 0.927 760 M CB 2.340 34.948 32.600 0.013 0.000 1.715 760 M HN 0.454 nan 8.290 nan 0.000 0.478 761 E N 3.373 123.547 120.200 -0.043 0.000 2.210 761 E HA 0.690 5.039 4.350 -0.002 0.000 0.266 761 E C -2.097 174.402 176.600 -0.168 0.000 0.883 761 E CA -0.625 55.695 56.400 -0.133 0.000 0.761 761 E CB 1.797 31.428 29.700 -0.115 0.000 1.156 761 E HN 0.599 nan 8.360 nan 0.000 0.412 762 L N 4.212 125.240 121.223 -0.325 0.000 2.408 762 L HA 0.504 4.843 4.340 -0.002 0.000 0.268 762 L C -1.286 175.317 176.870 -0.446 0.000 0.986 762 L CA -0.410 54.291 54.840 -0.232 0.000 0.820 762 L CB 1.406 43.405 42.059 -0.099 0.000 1.303 762 L HN 0.515 nan 8.230 nan 0.000 0.411 763 F N 3.046 123.001 119.950 0.009 0.000 2.426 763 F HA 0.728 5.254 4.527 -0.003 0.000 0.348 763 F C -0.004 175.794 175.800 -0.002 0.000 1.124 763 F CA -1.003 56.997 58.000 0.000 0.000 1.008 763 F CB 1.830 40.831 39.000 0.003 0.000 1.139 763 F HN 0.162 nan 8.300 nan 0.000 0.452 764 V N -0.485 119.494 119.914 0.108 0.000 2.841 764 V HA 0.555 4.673 4.120 -0.002 0.000 0.310 764 V C -0.215 175.894 176.094 0.025 0.000 1.090 764 V CA -0.915 61.420 62.300 0.058 0.000 0.930 764 V CB 1.624 33.457 31.823 0.017 0.000 1.014 764 V HN 0.629 nan 8.190 nan 0.000 0.425 765 S N 2.590 118.292 115.700 0.004 0.000 3.065 765 S HA 0.490 4.959 4.470 -0.002 0.000 0.311 765 S C 0.026 174.562 174.600 -0.106 0.000 1.204 765 S CA 0.494 58.655 58.200 -0.065 0.000 1.040 765 S CB -0.994 62.139 63.200 -0.111 0.000 1.436 765 S HN 1.260 nan 8.310 nan 0.000 0.532 766 T N 2.972 117.472 114.554 -0.090 0.000 2.889 766 T HA 0.344 4.693 4.350 -0.002 0.000 0.315 766 T C 0.197 174.842 174.700 -0.093 0.000 1.291 766 T CA -0.538 61.508 62.100 -0.090 0.000 1.028 766 T CB 1.620 70.456 68.868 -0.053 0.000 1.235 766 T HN 0.474 nan 8.240 nan 0.000 0.491 767 Q N 1.366 121.115 119.800 -0.084 0.000 2.392 767 Q HA 0.273 4.612 4.340 -0.002 0.000 0.203 767 Q C 0.136 176.115 176.000 -0.034 0.000 0.917 767 Q CA 0.057 55.823 55.803 -0.061 0.000 0.939 767 Q CB 0.361 29.072 28.738 -0.045 0.000 1.063 767 Q HN 0.342 nan 8.270 nan 0.000 0.516 768 N N -0.249 118.420 118.700 -0.052 0.000 2.726 768 N HA 0.251 4.990 4.740 -0.002 0.000 0.253 768 N C -0.400 175.050 175.510 -0.100 0.000 1.530 768 N CA -0.008 53.003 53.050 -0.065 0.000 0.772 768 N CB 0.955 39.398 38.487 -0.075 0.000 1.220 768 N HN 0.087 nan 8.380 nan 0.000 0.508 769 A N 2.321 125.090 122.820 -0.086 0.000 2.015 769 A HA -0.114 4.205 4.320 -0.002 0.000 0.219 769 A C 2.104 179.624 177.584 -0.108 0.000 1.163 769 A CA 0.869 52.849 52.037 -0.095 0.000 0.646 769 A CB -0.265 18.683 19.000 -0.087 0.000 0.806 769 A HN 0.652 nan 8.150 nan 0.000 0.448 770 M N -0.978 118.561 119.600 -0.101 0.000 2.086 770 M HA -0.152 4.327 4.480 -0.002 0.000 0.261 770 M C 1.622 177.811 176.300 -0.185 0.000 1.067 770 M CA 1.777 57.012 55.300 -0.108 0.000 1.116 770 M CB -0.124 32.432 32.600 -0.074 0.000 1.348 770 M HN 0.118 nan 8.290 nan 0.000 0.407 771 K N -0.221 120.012 120.400 -0.279 0.000 2.228 771 K HA 0.015 4.334 4.320 -0.002 0.000 0.202 771 K C 1.869 178.098 176.600 -0.619 0.000 1.051 771 K CA 1.498 57.440 56.287 -0.575 0.000 0.960 771 K CB -0.790 31.280 32.500 -0.717 0.000 0.743 771 K HN 0.414 nan 8.250 nan 0.000 0.458 772 T N 1.711 116.070 114.554 -0.324 0.000 2.746 772 T HA -0.188 4.161 4.350 -0.002 0.000 0.267 772 T C 1.892 176.525 174.700 -0.111 0.000 1.039 772 T CA 1.332 63.324 62.100 -0.179 0.000 1.142 772 T CB -0.039 68.766 68.868 -0.106 0.000 0.866 772 T HN 0.327 nan 8.240 nan 0.000 0.444 773 Q N 0.696 120.427 119.800 -0.116 0.000 1.975 773 Q HA -0.156 4.183 4.340 -0.002 0.000 0.205 773 Q C 2.564 178.544 176.000 -0.034 0.000 0.990 773 Q CA 2.023 57.783 55.803 -0.072 0.000 0.845 773 Q CB -0.208 28.486 28.738 -0.075 0.000 0.913 773 Q HN 0.483 nan 8.270 nan 0.000 0.420 774 S N 0.365 116.037 115.700 -0.046 0.000 2.365 774 S HA -0.148 4.321 4.470 -0.002 0.000 0.225 774 S C 1.652 176.375 174.600 0.205 0.000 1.039 774 S CA 1.299 59.528 58.200 0.049 0.000 1.033 774 S CB -0.401 62.834 63.200 0.057 0.000 0.887 774 S HN 0.329 nan 8.310 nan 0.000 0.447 775 F N 1.323 121.241 119.950 -0.053 0.000 2.206 775 F HA 0.040 4.565 4.527 -0.002 0.000 0.298 775 F C 2.425 178.183 175.800 -0.070 0.000 1.090 775 F CA -0.512 57.453 58.000 -0.059 0.000 1.323 775 F CB -1.352 37.615 39.000 -0.055 0.000 1.028 775 F HN 0.014 nan 8.300 nan 0.000 0.492 776 V N 0.197 120.190 119.914 0.132 0.000 2.244 776 V HA -0.280 3.839 4.120 -0.002 0.000 0.244 776 V C 2.699 178.793 176.094 0.000 0.000 1.042 776 V CA 1.800 64.121 62.300 0.035 0.000 1.006 776 V CB -1.473 30.357 31.823 0.011 0.000 0.641 776 V HN 0.292 nan 8.190 nan 0.000 0.446 777 A N -0.161 122.662 122.820 0.006 0.000 1.873 777 A HA -0.350 3.969 4.320 -0.002 0.000 0.218 777 A C 2.340 179.909 177.584 -0.025 0.000 1.193 777 A CA 2.632 54.661 52.037 -0.013 0.000 0.629 777 A CB -0.661 18.335 19.000 -0.007 0.000 0.826 777 A HN 0.537 nan 8.150 nan 0.000 0.447 778 K N -0.780 119.619 120.400 -0.001 0.000 2.074 778 K HA -0.250 4.069 4.320 -0.002 0.000 0.209 778 K C 2.129 178.690 176.600 -0.066 0.000 1.048 778 K CA 2.192 58.463 56.287 -0.027 0.000 0.926 778 K CB -0.282 32.207 32.500 -0.018 0.000 0.713 778 K HN 0.612 nan 8.250 nan 0.000 0.444 779 M N -0.061 119.494 119.600 -0.075 0.000 2.200 779 M HA -0.049 4.430 4.480 -0.002 0.000 0.265 779 M C 1.439 177.648 176.300 -0.152 0.000 1.066 779 M CA 1.657 56.889 55.300 -0.113 0.000 1.127 779 M CB -0.336 32.190 32.600 -0.123 0.000 1.379 779 M HN 0.074 nan 8.290 nan 0.000 0.420 780 L N 0.383 121.511 121.223 -0.159 0.000 2.395 780 L HA 0.251 4.590 4.340 -0.002 0.000 0.218 780 L C 1.255 178.009 176.870 -0.194 0.000 1.130 780 L CA 0.535 55.226 54.840 -0.248 0.000 0.826 780 L CB -0.902 41.040 42.059 -0.196 0.000 0.941 780 L HN 0.772 nan 8.230 nan 0.000 0.451 781 G N 0.922 109.652 108.800 -0.117 0.000 2.272 781 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.280 781 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.280 781 G C -0.265 174.601 174.900 -0.055 0.000 1.067 781 G CA 0.199 45.252 45.100 -0.078 0.000 0.902 781 G HN 0.140 nan 8.290 nan 0.000 0.500 782 V N 0.341 120.227 119.914 -0.047 0.000 2.876 782 V HA 0.655 4.774 4.120 -0.002 0.000 0.312 782 V C -1.913 174.168 176.094 -0.022 0.000 1.085 782 V CA -1.654 60.629 62.300 -0.028 0.000 0.945 782 V CB 2.460 34.269 31.823 -0.023 0.000 1.017 782 V HN 0.166 nan 8.190 nan 0.000 0.428 783 P HA 0.136 nan 4.420 nan 0.000 0.269 783 P C 0.952 178.242 177.300 -0.017 0.000 1.215 783 P CA 0.020 63.110 63.100 -0.016 0.000 0.780 783 P CB 0.643 32.334 31.700 -0.015 0.000 0.898 784 V N 1.199 121.103 119.914 -0.018 0.000 2.568 784 V HA -0.251 3.867 4.120 -0.002 0.000 0.253 784 V C 2.008 178.089 176.094 -0.022 0.000 1.072 784 V CA 2.296 64.585 62.300 -0.020 0.000 1.084 784 V CB -1.410 30.401 31.823 -0.021 0.000 0.676 784 V HN 0.689 nan 8.190 nan 0.000 0.469 785 N N 0.555 119.243 118.700 -0.020 0.000 2.573 785 N HA -0.165 4.574 4.740 -0.002 0.000 0.187 785 N C 1.522 177.022 175.510 -0.017 0.000 1.107 785 N CA 0.834 53.873 53.050 -0.019 0.000 0.918 785 N CB -0.379 38.098 38.487 -0.016 0.000 0.966 785 N HN 0.302 nan 8.380 nan 0.000 0.448 786 R N -0.039 120.451 120.500 -0.016 0.000 2.297 786 R HA 0.241 4.579 4.340 -0.002 0.000 0.197 786 R C -0.077 176.212 176.300 -0.019 0.000 0.943 786 R CA -0.009 56.083 56.100 -0.013 0.000 1.038 786 R CB 0.229 30.525 30.300 -0.006 0.000 0.957 786 R HN 0.259 nan 8.270 nan 0.000 0.484 787 I N 1.897 122.451 120.570 -0.027 0.000 2.355 787 I HA 0.238 4.407 4.170 -0.002 0.000 0.288 787 I C -0.525 175.559 176.117 -0.055 0.000 0.999 787 I CA -1.555 59.723 61.300 -0.037 0.000 1.163 787 I CB 1.410 39.392 38.000 -0.032 0.000 1.316 787 I HN -0.157 nan 8.210 nan 0.000 0.454 788 L N 8.558 129.736 121.223 -0.075 0.000 2.287 788 L HA 0.554 4.893 4.340 -0.002 0.000 0.287 788 L C -0.641 176.137 176.870 -0.153 0.000 1.022 788 L CA -0.322 54.456 54.840 -0.104 0.000 0.814 788 L CB 1.568 43.562 42.059 -0.109 0.000 1.217 788 L HN 0.277 nan 8.230 nan 0.000 0.420 789 V N 6.027 125.855 119.914 -0.144 0.000 2.398 789 V HA 0.606 4.725 4.120 -0.002 0.000 0.286 789 V C -0.066 175.916 176.094 -0.187 0.000 1.026 789 V CA -0.628 61.571 62.300 -0.168 0.000 0.868 789 V CB 1.550 33.302 31.823 -0.118 0.000 0.982 789 V HN 0.710 nan 8.190 nan 0.000 0.443 790 R N 3.272 123.617 120.500 -0.259 0.000 2.599 790 R HA 0.806 5.145 4.340 -0.002 0.000 0.295 790 R C -1.576 174.681 176.300 -0.071 0.000 0.963 790 R CA -0.728 55.261 56.100 -0.186 0.000 0.883 790 R CB 2.490 32.636 30.300 -0.257 0.000 1.171 790 R HN 0.478 nan 8.270 nan 0.000 0.450 791 V N 3.454 123.349 119.914 -0.032 0.000 2.398 791 V HA 0.127 4.246 4.120 -0.002 0.000 0.282 791 V C 0.598 176.696 176.094 0.006 0.000 1.014 791 V CA -0.699 61.598 62.300 -0.006 0.000 0.838 791 V CB 1.293 33.089 31.823 -0.044 0.000 1.018 791 V HN 0.734 nan 8.190 nan 0.000 0.432 792 K N 4.685 125.105 120.400 0.033 0.000 1.984 792 K HA 0.084 4.402 4.320 -0.002 0.000 0.209 792 K C 0.781 177.376 176.600 -0.008 0.000 1.046 792 K CA 1.551 57.845 56.287 0.011 0.000 0.934 792 K CB 0.233 32.730 32.500 -0.005 0.000 0.717 792 K HN 0.801 nan 8.250 nan 0.000 0.438 793 R N -1.633 118.838 120.500 -0.048 0.000 2.690 793 R HA 0.385 4.724 4.340 -0.002 0.000 0.269 793 R C -1.379 174.909 176.300 -0.019 0.000 1.037 793 R CA -0.840 55.221 56.100 -0.065 0.000 0.877 793 R CB 0.705 30.924 30.300 -0.136 0.000 1.255 793 R HN -0.022 nan 8.270 nan 0.000 0.467 794 M N 0.683 120.281 119.600 -0.003 0.000 2.508 794 M HA 0.397 4.876 4.480 -0.002 0.000 0.327 794 M C 0.761 177.140 176.300 0.131 0.000 1.160 794 M CA -0.625 54.691 55.300 0.027 0.000 0.980 794 M CB 2.341 34.870 32.600 -0.118 0.000 1.693 794 M HN 0.946 nan 8.290 nan 0.000 0.452 795 G N 1.488 110.375 108.800 0.144 0.000 3.392 795 G HA2 0.463 4.422 3.960 -0.002 0.000 0.247 795 G HA3 0.463 4.422 3.960 -0.002 0.000 0.247 795 G C 0.371 175.262 174.900 -0.016 0.000 1.161 795 G CA 0.352 45.463 45.100 0.019 0.000 1.739 795 G HN 1.098 nan 8.290 nan 0.000 0.619 796 G N -1.804 106.931 108.800 -0.109 0.000 2.697 796 G HA2 0.384 4.343 3.960 -0.002 0.000 0.686 796 G HA3 0.384 4.343 3.960 -0.002 0.000 0.686 796 G C 0.450 175.100 174.900 -0.417 0.000 1.179 796 G CA -0.342 44.572 45.100 -0.310 0.000 0.765 796 G HN 1.100 nan 8.290 nan 0.000 0.649 797 G N -0.599 107.773 108.800 -0.713 0.000 2.604 797 G HA2 0.548 4.507 3.960 -0.002 0.000 0.202 797 G HA3 0.548 4.507 3.960 -0.002 0.000 0.202 797 G C 0.927 175.716 174.900 -0.185 0.000 1.212 797 G CA 0.861 45.714 45.100 -0.413 0.000 0.627 797 G HN 1.712 nan 8.290 nan 0.000 0.850 798 F N 1.002 120.971 119.950 0.032 0.000 3.079 798 F HA -0.207 4.319 4.527 -0.002 0.000 0.285 798 F C 1.964 177.794 175.800 0.050 0.000 0.819 798 F CA 0.952 58.979 58.000 0.044 0.000 1.067 798 F CB -1.456 37.543 39.000 -0.002 0.000 1.263 798 F HN 1.141 nan 8.300 nan 0.000 0.458 799 G N -1.207 107.658 108.800 0.108 0.000 2.284 799 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.216 799 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.216 799 G C 1.108 175.992 174.900 -0.026 0.000 1.009 799 G CA 0.020 45.211 45.100 0.151 0.000 0.625 799 G HN 1.133 nan 8.290 nan 0.000 0.501 800 G N 0.163 108.669 108.800 -0.490 0.000 2.509 800 G HA2 0.159 4.118 3.960 -0.002 0.000 0.218 800 G HA3 0.159 4.118 3.960 -0.002 0.000 0.218 800 G C 1.184 176.007 174.900 -0.128 0.000 1.124 800 G CA 1.448 46.136 45.100 -0.687 0.000 0.776 800 G HN 0.525 nan 8.290 nan 0.000 0.547 801 K N -0.280 120.029 120.400 -0.152 0.000 2.478 801 K HA 0.211 4.530 4.320 -0.002 0.000 0.205 801 K C 1.442 178.025 176.600 -0.029 0.000 1.033 801 K CA -0.129 56.105 56.287 -0.088 0.000 1.091 801 K CB 0.735 33.072 32.500 -0.273 0.000 0.844 801 K HN 0.325 nan 8.250 nan 0.000 0.507 802 E N 0.617 120.830 120.200 0.022 0.000 2.072 802 E HA -0.149 4.200 4.350 -0.002 0.000 0.190 802 E C 1.340 177.976 176.600 0.060 0.000 0.982 802 E CA 1.921 58.358 56.400 0.061 0.000 0.803 802 E CB 0.418 30.197 29.700 0.131 0.000 0.755 802 E HN 0.308 nan 8.360 nan 0.000 0.453 803 T N -3.069 111.541 114.554 0.094 0.000 3.254 803 T HA 0.189 4.538 4.350 -0.002 0.000 0.267 803 T C 1.647 176.410 174.700 0.105 0.000 0.946 803 T CA -0.544 61.612 62.100 0.094 0.000 0.991 803 T CB -0.165 68.803 68.868 0.168 0.000 1.205 803 T HN -0.105 nan 8.240 nan 0.000 0.494 804 R N 2.645 123.214 120.500 0.116 0.000 2.285 804 R HA 0.132 4.470 4.340 -0.002 0.000 0.213 804 R C 2.707 178.977 176.300 -0.049 0.000 1.068 804 R CA 1.155 57.292 56.100 0.062 0.000 1.004 804 R CB -1.338 29.005 30.300 0.070 0.000 0.873 804 R HN 0.731 nan 8.270 nan 0.000 0.467 805 S N 0.295 116.039 115.700 0.073 0.000 2.440 805 S HA -0.174 4.295 4.470 -0.002 0.000 0.240 805 S C 1.861 176.480 174.600 0.031 0.000 1.014 805 S CA 1.804 60.081 58.200 0.129 0.000 0.980 805 S CB -0.470 62.819 63.200 0.147 0.000 0.775 805 S HN 0.498 nan 8.310 nan 0.000 0.499 806 T N -0.188 114.392 114.554 0.043 0.000 3.055 806 T HA 0.233 4.582 4.350 -0.002 0.000 0.265 806 T C 1.744 176.477 174.700 0.054 0.000 1.111 806 T CA 0.517 62.670 62.100 0.088 0.000 1.118 806 T CB -0.592 68.421 68.868 0.243 0.000 0.909 806 T HN 0.435 nan 8.240 nan 0.000 0.501 807 L N 0.597 121.819 121.223 -0.002 0.000 2.083 807 L HA -0.020 4.319 4.340 -0.002 0.000 0.209 807 L C 2.796 179.647 176.870 -0.033 0.000 1.083 807 L CA 0.873 55.695 54.840 -0.030 0.000 0.752 807 L CB -0.645 41.389 42.059 -0.041 0.000 0.899 807 L HN 0.220 nan 8.230 nan 0.000 0.433 808 V N -1.266 118.630 119.914 -0.029 0.000 2.346 808 V HA -0.176 3.943 4.120 -0.002 0.000 0.244 808 V C 2.565 178.671 176.094 0.021 0.000 1.037 808 V CA 1.603 63.911 62.300 0.013 0.000 1.029 808 V CB -0.016 31.831 31.823 0.040 0.000 0.663 808 V HN 0.310 nan 8.190 nan 0.000 0.454 809 S N -0.015 115.700 115.700 0.025 0.000 2.370 809 S HA -0.178 4.291 4.470 -0.002 0.000 0.226 809 S C 1.976 176.585 174.600 0.014 0.000 1.033 809 S CA 1.630 59.847 58.200 0.029 0.000 1.011 809 S CB -0.176 63.042 63.200 0.029 0.000 0.852 809 S HN 0.358 nan 8.310 nan 0.000 0.457 810 V N 1.447 121.358 119.914 -0.006 0.000 2.407 810 V HA -0.083 4.036 4.120 -0.002 0.000 0.245 810 V C 2.551 178.589 176.094 -0.094 0.000 1.041 810 V CA 1.468 63.741 62.300 -0.045 0.000 1.040 810 V CB -1.045 30.738 31.823 -0.066 0.000 0.671 810 V HN 0.515 nan 8.190 nan 0.000 0.455 811 A N -0.143 122.610 122.820 -0.113 0.000 1.877 811 A HA -0.169 4.149 4.320 -0.002 0.000 0.216 811 A C 2.375 179.987 177.584 0.047 0.000 1.186 811 A CA 2.163 54.163 52.037 -0.063 0.000 0.620 811 A CB -0.694 18.309 19.000 0.005 0.000 0.822 811 A HN 0.327 nan 8.150 nan 0.000 0.443 812 V N -0.198 119.743 119.914 0.044 0.000 2.358 812 V HA -0.219 3.900 4.120 -0.002 0.000 0.246 812 V C 3.050 179.177 176.094 0.055 0.000 1.047 812 V CA 1.814 64.147 62.300 0.055 0.000 1.035 812 V CB -1.211 30.644 31.823 0.054 0.000 0.658 812 V HN 0.625 nan 8.190 nan 0.000 0.452 813 A N 0.013 122.858 122.820 0.042 0.000 1.883 813 A HA -0.232 4.087 4.320 -0.002 0.000 0.217 813 A C 2.183 179.817 177.584 0.082 0.000 1.186 813 A CA 2.245 54.312 52.037 0.049 0.000 0.624 813 A CB -0.627 18.386 19.000 0.022 0.000 0.822 813 A HN 0.467 nan 8.150 nan 0.000 0.444 814 L N -0.162 121.101 121.223 0.068 0.000 2.012 814 L HA -0.104 4.235 4.340 -0.002 0.000 0.210 814 L C 2.682 179.659 176.870 0.178 0.000 1.073 814 L CA 2.404 57.318 54.840 0.125 0.000 0.748 814 L CB -0.820 41.304 42.059 0.108 0.000 0.891 814 L HN 0.349 nan 8.230 nan 0.000 0.431 815 A N -0.436 122.456 122.820 0.120 0.000 1.948 815 A HA -0.187 4.132 4.320 -0.002 0.000 0.220 815 A C 2.449 180.072 177.584 0.066 0.000 1.177 815 A CA 2.159 54.240 52.037 0.073 0.000 0.636 815 A CB -1.253 17.774 19.000 0.045 0.000 0.815 815 A HN 0.643 nan 8.150 nan 0.000 0.449 816 A N -1.414 121.457 122.820 0.086 0.000 1.873 816 A HA -0.069 4.250 4.320 -0.002 0.000 0.215 816 A C 2.137 179.780 177.584 0.098 0.000 1.186 816 A CA 1.638 53.724 52.037 0.081 0.000 0.616 816 A CB -0.934 18.114 19.000 0.080 0.000 0.823 816 A HN 0.773 nan 8.150 nan 0.000 0.442 817 Y N 0.626 120.936 120.300 0.016 0.000 2.081 817 Y HA -0.260 4.289 4.550 -0.002 0.000 0.280 817 Y C 2.388 178.298 175.900 0.017 0.000 1.163 817 Y CA 2.577 60.685 58.100 0.014 0.000 1.135 817 Y CB -0.166 38.301 38.460 0.012 0.000 0.970 817 Y HN 0.186 nan 8.280 nan 0.000 0.498 818 K N -0.420 119.973 120.400 -0.010 0.000 2.097 818 K HA -0.141 4.178 4.320 -0.002 0.000 0.206 818 K C 1.935 178.452 176.600 -0.138 0.000 1.049 818 K CA 1.942 58.156 56.287 -0.121 0.000 0.933 818 K CB -0.448 32.081 32.500 0.049 0.000 0.717 818 K HN 0.627 nan 8.250 nan 0.000 0.442 819 T N -4.177 110.336 114.554 -0.068 0.000 3.037 819 T HA 0.151 4.500 4.350 -0.002 0.000 0.251 819 T C 1.330 176.094 174.700 0.107 0.000 1.079 819 T CA 0.836 62.922 62.100 -0.024 0.000 1.067 819 T CB 0.281 69.094 68.868 -0.093 0.000 0.948 819 T HN 0.297 nan 8.240 nan 0.000 0.496 820 G N 1.335 110.150 108.800 0.025 0.000 2.175 820 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.265 820 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.265 820 G C -0.165 174.763 174.900 0.048 0.000 0.979 820 G CA 0.585 45.692 45.100 0.012 0.000 0.663 820 G HN 0.770 nan 8.290 nan 0.000 0.533 821 H N 0.627 119.658 119.070 -0.065 0.000 2.533 821 H HA 0.554 5.110 4.556 -0.001 0.000 0.343 821 H C -2.153 173.145 175.328 -0.051 0.000 1.160 821 H CA -1.977 54.034 56.048 -0.061 0.000 1.218 821 H CB 1.188 30.923 29.762 -0.046 0.000 1.566 821 H HN 0.053 nan 8.280 nan 0.000 0.522 822 P HA 0.027 nan 4.420 nan 0.000 0.266 822 P C -0.715 176.606 177.300 0.034 0.000 1.195 822 P CA 0.114 63.251 63.100 0.061 0.000 0.768 822 P CB 0.695 32.461 31.700 0.111 0.000 0.838 823 V N 3.751 123.671 119.914 0.010 0.000 2.841 823 V HA 0.596 4.715 4.120 -0.002 0.000 0.310 823 V C 0.251 176.301 176.094 -0.074 0.000 1.090 823 V CA -0.724 61.539 62.300 -0.063 0.000 0.930 823 V CB 2.306 34.117 31.823 -0.020 0.000 1.014 823 V HN 0.670 nan 8.190 nan 0.000 0.425 824 R N 1.978 122.372 120.500 -0.177 0.000 2.837 824 R HA 0.930 5.269 4.340 -0.002 0.000 0.271 824 R C -1.482 174.833 176.300 0.025 0.000 0.993 824 R CA -0.601 55.450 56.100 -0.081 0.000 0.931 824 R CB 1.886 32.116 30.300 -0.117 0.000 1.206 824 R HN 0.693 nan 8.270 nan 0.000 0.474 825 C N 2.897 122.248 119.300 0.085 0.000 2.701 825 C HA 0.624 5.083 4.460 -0.002 0.000 0.336 825 C C -1.040 174.025 174.990 0.125 0.000 1.123 825 C CA -0.595 58.502 59.018 0.132 0.000 1.326 825 C CB 1.518 29.329 27.740 0.118 0.000 1.833 825 C HN 0.988 nan 8.230 nan 0.000 0.473 826 M N 6.685 126.367 119.600 0.137 0.000 2.321 826 M HA 0.585 5.064 4.480 -0.002 0.000 0.315 826 M C -1.283 175.082 176.300 0.109 0.000 1.052 826 M CA -0.554 54.813 55.300 0.111 0.000 0.936 826 M CB 1.251 33.908 32.600 0.094 0.000 1.639 826 M HN 0.688 nan 8.290 nan 0.000 0.433 827 L N 3.285 124.575 121.223 0.112 0.000 2.436 827 L HA 0.294 4.633 4.340 -0.002 0.000 0.265 827 L C 0.326 177.245 176.870 0.082 0.000 1.168 827 L CA -0.661 54.243 54.840 0.107 0.000 0.815 827 L CB 0.227 42.363 42.059 0.128 0.000 1.109 827 L HN 0.627 nan 8.230 nan 0.000 0.462 828 D N 0.520 120.962 120.400 0.070 0.000 2.371 828 D HA 0.032 4.671 4.640 -0.002 0.000 0.242 828 D C 0.970 177.292 176.300 0.036 0.000 1.218 828 D CA -0.225 53.803 54.000 0.047 0.000 0.945 828 D CB 0.951 41.778 40.800 0.044 0.000 1.137 828 D HN 0.394 nan 8.370 nan 0.000 0.464 829 R N 1.052 121.553 120.500 0.003 0.000 2.083 829 R HA -0.183 4.155 4.340 -0.002 0.000 0.237 829 R C 1.831 178.123 176.300 -0.012 0.000 1.137 829 R CA 1.762 57.834 56.100 -0.047 0.000 0.951 829 R CB -0.178 30.070 30.300 -0.087 0.000 0.851 829 R HN 0.515 nan 8.270 nan 0.000 0.434 830 N N 0.424 119.138 118.700 0.023 0.000 2.166 830 N HA -0.209 4.530 4.740 -0.002 0.000 0.186 830 N C 1.225 176.766 175.510 0.052 0.000 1.019 830 N CA 1.780 54.854 53.050 0.039 0.000 0.856 830 N CB -0.433 38.085 38.487 0.051 0.000 0.993 830 N HN 0.444 nan 8.380 nan 0.000 0.426 831 E N 0.433 120.671 120.200 0.064 0.000 2.031 831 E HA -0.177 4.172 4.350 -0.002 0.000 0.193 831 E C 1.479 178.131 176.600 0.087 0.000 0.994 831 E CA 1.117 57.567 56.400 0.083 0.000 0.800 831 E CB -0.144 29.611 29.700 0.092 0.000 0.752 831 E HN 0.388 nan 8.360 nan 0.000 0.447 832 D N 0.580 121.038 120.400 0.096 0.000 2.104 832 D HA -0.184 4.454 4.640 -0.002 0.000 0.194 832 D C 2.002 178.370 176.300 0.112 0.000 0.994 832 D CA 1.198 55.285 54.000 0.146 0.000 0.830 832 D CB -0.021 40.897 40.800 0.197 0.000 0.959 832 D HN 0.126 nan 8.370 nan 0.000 0.452 833 M N -0.289 119.334 119.600 0.038 0.000 2.213 833 M HA -0.174 4.305 4.480 -0.002 0.000 0.263 833 M C 2.104 178.426 176.300 0.036 0.000 1.062 833 M CA 0.683 55.982 55.300 -0.001 0.000 1.105 833 M CB 0.057 32.618 32.600 -0.065 0.000 1.385 833 M HN 0.072 nan 8.290 nan 0.000 0.417 834 L N -0.061 121.197 121.223 0.058 0.000 2.095 834 L HA -0.023 4.316 4.340 -0.002 0.000 0.204 834 L C 1.816 178.740 176.870 0.091 0.000 1.080 834 L CA 1.815 56.702 54.840 0.079 0.000 0.759 834 L CB -0.185 41.923 42.059 0.082 0.000 0.914 834 L HN 0.209 nan 8.230 nan 0.000 0.439 835 I N -1.412 119.211 120.570 0.088 0.000 2.731 835 I HA -0.101 4.068 4.170 -0.002 0.000 0.260 835 I C 2.164 178.321 176.117 0.067 0.000 1.138 835 I CA 1.123 62.471 61.300 0.079 0.000 1.461 835 I CB -0.469 37.575 38.000 0.073 0.000 1.128 835 I HN 0.332 nan 8.210 nan 0.000 0.438 836 T N -0.940 113.665 114.554 0.086 0.000 3.085 836 T HA 0.292 4.641 4.350 -0.002 0.000 0.263 836 T C 1.077 175.875 174.700 0.162 0.000 1.127 836 T CA 0.458 62.608 62.100 0.084 0.000 1.103 836 T CB -0.432 68.522 68.868 0.144 0.000 0.921 836 T HN 0.538 nan 8.240 nan 0.000 0.510 837 G N -0.780 108.120 108.800 0.166 0.000 2.733 837 G HA2 0.360 4.319 3.960 -0.002 0.000 0.686 837 G HA3 0.360 4.319 3.960 -0.002 0.000 0.686 837 G C -0.054 175.018 174.900 0.287 0.000 1.373 837 G CA -0.586 44.623 45.100 0.181 0.000 0.838 837 G HN 1.114 nan 8.290 nan 0.000 0.588 838 G N -0.440 108.484 108.800 0.207 0.000 3.195 838 G HA2 0.771 4.730 3.960 -0.002 0.000 0.217 838 G HA3 0.771 4.730 3.960 -0.002 0.000 0.217 838 G C 0.126 175.148 174.900 0.203 0.000 1.166 838 G CA 0.078 45.275 45.100 0.161 0.000 0.812 838 G HN 0.935 nan 8.290 nan 0.000 0.617 839 R N 0.138 120.778 120.500 0.233 0.000 2.643 839 R HA 0.124 4.463 4.340 -0.002 0.000 0.270 839 R C -0.345 176.049 176.300 0.157 0.000 1.061 839 R CA -0.270 55.968 56.100 0.230 0.000 1.107 839 R CB 0.021 30.293 30.300 -0.048 0.000 0.999 839 R HN 0.568 nan 8.270 nan 0.000 0.460 840 H N 4.828 123.998 119.070 0.167 0.000 3.017 840 H HA 0.095 4.649 4.556 -0.002 0.000 0.276 840 H C -1.894 173.580 175.328 0.243 0.000 1.062 840 H CA -1.599 54.576 56.048 0.210 0.000 1.486 840 H CB 0.616 30.547 29.762 0.281 0.000 1.507 840 H HN 0.419 nan 8.280 nan 0.000 0.508 841 P HA -0.011 nan 4.420 nan 0.000 0.266 841 P C -0.542 176.930 177.300 0.288 0.000 1.195 841 P CA 0.630 63.815 63.100 0.142 0.000 0.768 841 P CB 0.332 32.093 31.700 0.102 0.000 0.838 842 F N 1.962 121.866 119.950 -0.077 0.000 2.508 842 F HA 0.496 5.022 4.527 -0.002 0.000 0.325 842 F C 0.204 176.054 175.800 0.084 0.000 1.090 842 F CA -1.108 56.935 58.000 0.072 0.000 0.945 842 F CB 1.666 40.738 39.000 0.120 0.000 1.156 842 F HN 0.107 nan 8.300 nan 0.000 0.463 843 L N 3.231 124.679 121.223 0.376 0.000 2.346 843 L HA 0.898 5.237 4.340 -0.002 0.000 0.274 843 L C -1.125 176.010 176.870 0.441 0.000 1.007 843 L CA -0.332 54.775 54.840 0.444 0.000 0.818 843 L CB 1.646 43.955 42.059 0.418 0.000 1.284 843 L HN 0.631 nan 8.230 nan 0.000 0.424 844 A N 4.834 127.891 122.820 0.396 0.000 2.422 844 A HA 0.846 5.165 4.320 -0.002 0.000 0.302 844 A C -1.102 176.697 177.584 0.357 0.000 1.041 844 A CA -0.740 51.489 52.037 0.320 0.000 0.708 844 A CB 1.286 20.433 19.000 0.245 0.000 1.257 844 A HN 0.697 nan 8.150 nan 0.000 0.414 845 R N 1.575 122.250 120.500 0.291 0.000 2.409 845 R HA 0.550 4.889 4.340 -0.002 0.000 0.313 845 R C -1.507 174.907 176.300 0.190 0.000 0.953 845 R CA -0.388 55.835 56.100 0.205 0.000 0.849 845 R CB 1.399 31.794 30.300 0.158 0.000 1.171 845 R HN 0.810 nan 8.270 nan 0.000 0.458 846 Y N -0.603 119.731 120.300 0.057 0.000 2.570 846 Y HA 0.678 5.227 4.550 -0.002 0.000 0.345 846 Y C -0.783 175.124 175.900 0.012 0.000 1.014 846 Y CA -1.347 56.769 58.100 0.027 0.000 1.063 846 Y CB 2.077 40.582 38.460 0.076 0.000 1.272 846 Y HN 0.300 nan 8.280 nan 0.000 0.477 847 K N 2.444 122.900 120.400 0.094 0.000 2.656 847 K HA 0.583 4.902 4.320 -0.002 0.000 0.253 847 K C -2.348 174.335 176.600 0.138 0.000 1.002 847 K CA -0.568 55.742 56.287 0.039 0.000 0.880 847 K CB 1.880 34.340 32.500 -0.066 0.000 1.232 847 K HN 0.736 nan 8.250 nan 0.000 0.456 848 V N 1.654 121.661 119.914 0.155 0.000 2.513 848 V HA 0.734 4.853 4.120 -0.002 0.000 0.299 848 V C 0.420 176.732 176.094 0.363 0.000 1.035 848 V CA -0.894 61.466 62.300 0.101 0.000 0.889 848 V CB 1.693 33.485 31.823 -0.051 0.000 0.988 848 V HN 0.821 nan 8.190 nan 0.000 0.440 849 G N 3.287 112.259 108.800 0.288 0.000 2.470 849 G HA2 0.834 4.793 3.960 -0.002 0.000 0.320 849 G HA3 0.834 4.793 3.960 -0.002 0.000 0.320 849 G C -1.225 173.809 174.900 0.223 0.000 1.245 849 G CA -0.515 44.733 45.100 0.247 0.000 0.935 849 G HN 0.876 nan 8.290 nan 0.000 0.476 850 F N 0.373 120.314 119.950 -0.015 0.000 2.693 850 F HA 0.732 5.258 4.527 -0.002 0.000 0.309 850 F C -0.718 175.074 175.800 -0.013 0.000 1.129 850 F CA -1.836 56.147 58.000 -0.029 0.000 0.948 850 F CB 1.352 40.343 39.000 -0.015 0.000 1.315 850 F HN 0.254 nan 8.300 nan 0.000 0.447 851 M N 1.780 121.441 119.600 0.101 0.000 2.227 851 M HA 0.327 4.806 4.480 -0.002 0.000 0.316 851 M C 1.150 177.502 176.300 0.087 0.000 1.144 851 M CA -0.458 54.853 55.300 0.018 0.000 1.121 851 M CB 1.192 33.807 32.600 0.025 0.000 1.440 851 M HN 0.903 nan 8.290 nan 0.000 0.473 852 K N 0.325 120.742 120.400 0.028 0.000 2.218 852 K HA -0.128 4.191 4.320 -0.002 0.000 0.205 852 K C 1.534 178.199 176.600 0.107 0.000 1.046 852 K CA 1.560 57.888 56.287 0.068 0.000 0.933 852 K CB -0.069 32.447 32.500 0.028 0.000 0.728 852 K HN 0.719 nan 8.250 nan 0.000 0.454 853 T N -1.043 113.564 114.554 0.089 0.000 2.915 853 T HA -0.041 4.308 4.350 -0.002 0.000 0.269 853 T C 1.280 176.039 174.700 0.099 0.000 1.071 853 T CA 1.200 63.348 62.100 0.080 0.000 1.132 853 T CB -0.105 68.795 68.868 0.052 0.000 0.878 853 T HN 0.524 nan 8.240 nan 0.000 0.479 854 G N 1.297 110.191 108.800 0.158 0.000 2.157 854 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.239 854 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.239 854 G C 0.247 175.185 174.900 0.063 0.000 0.982 854 G CA 0.093 45.269 45.100 0.126 0.000 0.650 854 G HN 0.524 nan 8.290 nan 0.000 0.527 855 T N 1.794 116.389 114.554 0.069 0.000 2.834 855 T HA 0.478 4.827 4.350 -0.002 0.000 0.298 855 T C 0.745 175.478 174.700 0.054 0.000 0.966 855 T CA 0.020 62.132 62.100 0.020 0.000 1.141 855 T CB 1.284 70.153 68.868 0.001 0.000 0.905 855 T HN 0.246 nan 8.240 nan 0.000 0.535 856 I N 4.033 124.602 120.570 -0.003 0.000 2.556 856 I HA 0.035 4.204 4.170 -0.002 0.000 0.284 856 I C 1.171 177.254 176.117 -0.057 0.000 1.114 856 I CA 0.418 61.709 61.300 -0.014 0.000 1.418 856 I CB 0.998 38.949 38.000 -0.082 0.000 1.394 856 I HN 0.472 nan 8.210 nan 0.000 0.552 857 V N 5.141 125.014 119.914 -0.069 0.000 3.151 857 V HA 0.497 4.616 4.120 -0.002 0.000 0.241 857 V C 0.492 176.441 176.094 -0.241 0.000 1.173 857 V CA 0.818 63.041 62.300 -0.128 0.000 1.154 857 V CB 0.522 32.286 31.823 -0.098 0.000 0.898 857 V HN 0.824 nan 8.190 nan 0.000 0.473 858 A N 0.188 122.809 122.820 -0.331 0.000 2.539 858 A HA 0.842 5.161 4.320 -0.002 0.000 0.296 858 A C -2.020 175.301 177.584 -0.437 0.000 1.073 858 A CA -0.379 51.327 52.037 -0.552 0.000 0.700 858 A CB 2.290 20.553 19.000 -1.227 0.000 1.296 858 A HN 0.163 nan 8.150 nan 0.000 0.405 859 L N 0.435 121.438 121.223 -0.367 0.000 2.493 859 L HA 0.734 5.073 4.340 -0.002 0.000 0.265 859 L C -0.793 176.025 176.870 -0.088 0.000 0.954 859 L CA 0.027 54.697 54.840 -0.282 0.000 0.844 859 L CB 2.050 43.831 42.059 -0.462 0.000 1.302 859 L HN 0.849 nan 8.230 nan 0.000 0.405 860 E N 4.114 124.338 120.200 0.039 0.000 2.244 860 E HA 0.685 5.033 4.350 -0.002 0.000 0.260 860 E C -2.070 174.567 176.600 0.063 0.000 0.884 860 E CA -0.621 55.838 56.400 0.099 0.000 0.777 860 E CB 1.872 31.703 29.700 0.219 0.000 1.197 860 E HN 0.478 nan 8.360 nan 0.000 0.416 861 V N 4.048 123.993 119.914 0.052 0.000 2.577 861 V HA 0.340 4.459 4.120 -0.002 0.000 0.303 861 V C -0.941 175.129 176.094 -0.041 0.000 1.042 861 V CA -1.006 61.296 62.300 0.004 0.000 0.872 861 V CB 1.945 33.738 31.823 -0.050 0.000 0.998 861 V HN 0.699 nan 8.190 nan 0.000 0.423 862 D N 2.460 122.827 120.400 -0.056 0.000 2.256 862 D HA 0.497 5.136 4.640 -0.002 0.000 0.240 862 D C -0.607 175.578 176.300 -0.191 0.000 1.062 862 D CA -0.263 53.689 54.000 -0.081 0.000 0.832 862 D CB 1.442 42.238 40.800 -0.006 0.000 1.135 862 D HN 0.596 nan 8.370 nan 0.000 0.484 863 H N 0.925 119.880 119.070 -0.192 0.000 2.457 863 H HA 0.410 4.965 4.556 -0.002 0.000 0.335 863 H C -0.770 174.231 175.328 -0.544 0.000 1.115 863 H CA -0.357 55.618 56.048 -0.122 0.000 1.219 863 H CB 0.870 30.657 29.762 0.043 0.000 1.471 863 H HN 0.286 nan 8.280 nan 0.000 0.491 864 Y N 0.484 120.797 120.300 0.021 0.000 2.391 864 Y HA 0.393 4.942 4.550 -0.002 0.000 0.341 864 Y C -0.056 175.657 175.900 -0.313 0.000 0.965 864 Y CA -0.898 57.154 58.100 -0.080 0.000 1.067 864 Y CB 1.942 40.435 38.460 0.056 0.000 1.199 864 Y HN 0.661 nan 8.280 nan 0.000 0.450 865 S N 1.821 117.360 115.700 -0.269 0.000 2.537 865 S HA 0.409 4.878 4.470 -0.002 0.000 0.301 865 S C -0.745 173.875 174.600 0.033 0.000 1.092 865 S CA -0.979 57.014 58.200 -0.345 0.000 1.048 865 S CB 1.551 64.441 63.200 -0.517 0.000 1.053 865 S HN 0.645 nan 8.310 nan 0.000 0.501 866 N N 1.512 120.273 118.700 0.101 0.000 2.482 866 N HA 0.344 5.083 4.740 -0.002 0.000 0.242 866 N C 0.884 176.456 175.510 0.102 0.000 1.100 866 N CA -0.090 53.019 53.050 0.100 0.000 0.946 866 N CB 1.045 39.581 38.487 0.082 0.000 1.227 866 N HN 0.775 nan 8.380 nan 0.000 0.508 867 A N 2.567 125.491 122.820 0.172 0.000 1.930 867 A HA 0.334 4.653 4.320 -0.002 0.000 0.215 867 A C 1.194 178.848 177.584 0.118 0.000 1.176 867 A CA 1.269 53.451 52.037 0.241 0.000 0.632 867 A CB -0.736 18.520 19.000 0.427 0.000 0.819 867 A HN 0.867 nan 8.150 nan 0.000 0.445 868 G N -0.108 108.747 108.800 0.092 0.000 2.587 868 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.212 868 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.212 868 G C -0.008 174.959 174.900 0.112 0.000 1.327 868 G CA 0.231 45.352 45.100 0.035 0.000 0.898 868 G HN 1.084 nan 8.290 nan 0.000 0.551 869 N N 0.168 118.890 118.700 0.036 0.000 2.313 869 N HA 0.355 5.094 4.740 -0.002 0.000 0.207 869 N C 0.483 176.043 175.510 0.083 0.000 1.141 869 N CA 1.053 54.129 53.050 0.044 0.000 0.830 869 N CB 0.134 38.555 38.487 -0.110 0.000 1.008 869 N HN 1.698 nan 8.380 nan 0.000 0.481 870 S N -1.571 114.167 115.700 0.064 0.000 2.596 870 S HA 0.481 4.950 4.470 -0.002 0.000 0.270 870 S C 0.501 174.876 174.600 -0.375 0.000 1.155 870 S CA -0.923 57.218 58.200 -0.098 0.000 0.827 870 S CB 2.027 65.200 63.200 -0.045 0.000 1.130 870 S HN -0.014 nan 8.310 nan 0.000 0.467 871 R N 0.680 120.829 120.500 -0.584 0.000 2.070 871 R HA 0.008 4.347 4.340 -0.002 0.000 0.233 871 R C 1.052 177.273 176.300 -0.131 0.000 1.137 871 R CA 1.710 57.449 56.100 -0.602 0.000 0.945 871 R CB -0.834 29.090 30.300 -0.627 0.000 0.845 871 R HN 0.918 nan 8.270 nan 0.000 0.430 872 D N -0.868 119.591 120.400 0.098 0.000 3.793 872 D HA -0.304 4.335 4.640 -0.002 0.000 0.154 872 D C 0.454 176.962 176.300 0.347 0.000 0.841 872 D CA 2.341 56.496 54.000 0.258 0.000 0.960 872 D CB -0.768 40.153 40.800 0.202 0.000 0.443 872 D HN 0.121 nan 8.370 nan 0.000 0.401 873 L N -0.000 121.406 121.223 0.306 0.000 2.640 873 L HA 0.229 4.568 4.340 -0.002 0.000 0.230 873 L C 2.116 179.057 176.870 0.117 0.000 1.123 873 L CA 0.262 55.297 54.840 0.325 0.000 0.900 873 L CB 0.081 42.407 42.059 0.445 0.000 1.146 873 L HN 0.177 nan 8.230 nan 0.000 0.484 874 S N -0.577 115.164 115.700 0.068 0.000 2.387 874 S HA -0.307 4.162 4.470 -0.002 0.000 0.230 874 S C 1.829 176.346 174.600 -0.139 0.000 1.035 874 S CA 1.840 59.982 58.200 -0.097 0.000 1.014 874 S CB -0.345 62.928 63.200 0.122 0.000 0.836 874 S HN 0.592 nan 8.310 nan 0.000 0.466 875 H N 0.910 119.894 119.070 -0.144 0.000 2.321 875 H HA 0.011 4.566 4.556 -0.002 0.000 0.300 875 H C 2.150 177.428 175.328 -0.082 0.000 1.087 875 H CA 1.740 57.703 56.048 -0.142 0.000 1.319 875 H CB -0.117 29.531 29.762 -0.190 0.000 1.379 875 H HN 0.254 nan 8.280 nan 0.000 0.501 876 S N -0.273 115.566 115.700 0.232 0.000 2.428 876 S HA -0.053 4.416 4.470 -0.002 0.000 0.230 876 S C 2.103 176.750 174.600 0.079 0.000 1.014 876 S CA 0.904 59.284 58.200 0.300 0.000 0.957 876 S CB -0.069 63.456 63.200 0.541 0.000 0.784 876 S HN 0.360 nan 8.310 nan 0.000 0.499 877 I N 0.858 121.192 120.570 -0.392 0.000 2.142 877 I HA -0.230 3.939 4.170 -0.002 0.000 0.240 877 I C 2.479 178.466 176.117 -0.217 0.000 1.078 877 I CA 1.191 62.116 61.300 -0.625 0.000 1.343 877 I CB -0.285 37.216 38.000 -0.831 0.000 1.046 877 I HN 0.300 nan 8.210 nan 0.000 0.405 878 M N 0.863 120.342 119.600 -0.202 0.000 2.149 878 M HA -0.211 4.268 4.480 -0.002 0.000 0.261 878 M C 2.030 178.225 176.300 -0.175 0.000 1.064 878 M CA 1.810 57.014 55.300 -0.160 0.000 1.102 878 M CB -0.527 31.902 32.600 -0.285 0.000 1.369 878 M HN 0.141 nan 8.290 nan 0.000 0.408 879 E N -0.967 119.133 120.200 -0.167 0.000 2.051 879 E HA -0.246 4.102 4.350 -0.002 0.000 0.192 879 E C 2.230 178.754 176.600 -0.126 0.000 0.991 879 E CA 1.351 57.657 56.400 -0.157 0.000 0.799 879 E CB -0.324 29.408 29.700 0.053 0.000 0.748 879 E HN 0.510 nan 8.360 nan 0.000 0.449 880 R N 0.740 121.360 120.500 0.201 0.000 2.081 880 R HA -0.147 4.192 4.340 -0.002 0.000 0.235 880 R C 2.303 178.764 176.300 0.269 0.000 1.131 880 R CA 1.228 57.575 56.100 0.411 0.000 0.960 880 R CB -0.220 30.314 30.300 0.389 0.000 0.856 880 R HN 0.142 nan 8.270 nan 0.000 0.436 881 A N 1.252 124.106 122.820 0.056 0.000 1.873 881 A HA -0.213 4.106 4.320 -0.002 0.000 0.218 881 A C 2.187 179.738 177.584 -0.056 0.000 1.193 881 A CA 1.657 53.675 52.037 -0.033 0.000 0.629 881 A CB -0.817 18.180 19.000 -0.004 0.000 0.826 881 A HN 0.378 nan 8.150 nan 0.000 0.447 882 L N -1.981 119.147 121.223 -0.158 0.000 2.127 882 L HA -0.168 4.171 4.340 -0.002 0.000 0.211 882 L C 2.342 179.253 176.870 0.067 0.000 1.089 882 L CA 1.198 55.949 54.840 -0.148 0.000 0.757 882 L CB -0.458 41.480 42.059 -0.201 0.000 0.899 882 L HN 0.466 nan 8.230 nan 0.000 0.434 883 F N -1.603 118.403 119.950 0.094 0.000 2.604 883 F HA -0.104 4.422 4.527 -0.002 0.000 0.298 883 F C 2.002 177.795 175.800 -0.011 0.000 1.131 883 F CA 0.388 58.349 58.000 -0.066 0.000 1.457 883 F CB 0.060 38.903 39.000 -0.262 0.000 1.095 883 F HN 0.218 nan 8.300 nan 0.000 0.574 884 H N -0.490 118.778 119.070 0.330 0.000 3.058 884 H HA 0.150 4.705 4.556 -0.002 0.000 0.266 884 H C 1.867 177.257 175.328 0.103 0.000 1.135 884 H CA 0.231 56.387 56.048 0.180 0.000 1.174 884 H CB 0.077 29.830 29.762 -0.015 0.000 1.581 884 H HN 0.381 nan 8.280 nan 0.000 0.553 885 M N 0.584 120.290 119.600 0.177 0.000 2.700 885 M HA -0.031 4.448 4.480 -0.002 0.000 0.249 885 M C 0.568 176.938 176.300 0.116 0.000 1.082 885 M CA 1.263 56.653 55.300 0.150 0.000 1.077 885 M CB -0.034 32.674 32.600 0.180 0.000 1.477 885 M HN -0.068 nan 8.290 nan 0.000 0.529 886 D N -1.427 119.002 120.400 0.049 0.000 2.423 886 D HA 0.039 4.678 4.640 -0.002 0.000 0.208 886 D C 0.820 177.165 176.300 0.076 0.000 1.068 886 D CA 0.106 54.163 54.000 0.095 0.000 0.860 886 D CB -0.426 40.422 40.800 0.080 0.000 0.992 886 D HN 0.451 nan 8.370 nan 0.000 0.504 887 N N 0.474 119.188 118.700 0.023 0.000 1.276 887 N HA -0.300 4.439 4.740 -0.002 0.000 0.137 887 N C -0.132 175.293 175.510 -0.142 0.000 0.642 887 N CA 2.705 55.694 53.050 -0.102 0.000 0.986 887 N CB -1.279 37.071 38.487 -0.228 0.000 1.277 887 N HN 0.364 nan 8.380 nan 0.000 0.495 888 C N 0.056 118.986 119.300 -0.617 0.000 2.647 888 C HA 0.444 4.903 4.460 -0.002 0.000 0.296 888 C C -0.617 173.973 174.990 -0.667 0.000 1.403 888 C CA -0.603 58.208 59.018 -0.346 0.000 1.781 888 C CB -2.074 25.541 27.740 -0.209 0.000 2.464 888 C HN 0.334 nan 8.230 nan 0.000 0.559 889 Y N 0.528 120.626 120.300 -0.335 0.000 2.352 889 Y HA 0.446 4.995 4.550 -0.002 0.000 0.339 889 Y C 0.333 175.675 175.900 -0.930 0.000 0.992 889 Y CA -1.028 56.748 58.100 -0.540 0.000 1.100 889 Y CB 0.923 39.266 38.460 -0.196 0.000 1.192 889 Y HN -0.143 nan 8.280 nan 0.000 0.458 890 K N 4.060 123.977 120.400 -0.806 0.000 2.349 890 K HA 0.410 4.729 4.320 -0.002 0.000 0.289 890 K C -1.469 174.974 176.600 -0.263 0.000 1.064 890 K CA 0.310 56.214 56.287 -0.638 0.000 0.947 890 K CB -0.204 32.033 32.500 -0.439 0.000 1.007 890 K HN 0.662 nan 8.250 nan 0.000 0.478 891 I N 8.379 128.849 120.570 -0.166 0.000 2.448 891 I HA 0.243 4.412 4.170 -0.002 0.000 0.281 891 I C -1.729 174.334 176.117 -0.090 0.000 1.027 891 I CA -2.188 59.044 61.300 -0.114 0.000 1.111 891 I CB 2.034 39.976 38.000 -0.097 0.000 1.236 891 I HN 0.578 nan 8.210 nan 0.000 0.452 892 P HA -0.067 nan 4.420 nan 0.000 0.216 892 P C -0.361 176.888 177.300 -0.084 0.000 1.150 892 P CA 1.337 64.387 63.100 -0.082 0.000 0.837 892 P CB 0.191 31.836 31.700 -0.092 0.000 0.786 893 N N -0.074 118.549 118.700 -0.127 0.000 2.461 893 N HA 0.433 5.172 4.740 -0.002 0.000 0.284 893 N C -0.997 174.415 175.510 -0.164 0.000 1.049 893 N CA -0.295 52.669 53.050 -0.144 0.000 0.889 893 N CB 2.328 40.693 38.487 -0.204 0.000 1.365 893 N HN -0.005 nan 8.380 nan 0.000 0.499 894 I N 1.062 121.582 120.570 -0.084 0.000 2.680 894 I HA 0.343 4.511 4.170 -0.002 0.000 0.291 894 I C -1.554 174.573 176.117 0.017 0.000 1.244 894 I CA -0.552 60.716 61.300 -0.053 0.000 1.042 894 I CB 2.203 40.184 38.000 -0.031 0.000 1.277 894 I HN 0.379 nan 8.210 nan 0.000 0.423 895 R N 5.454 125.972 120.500 0.029 0.000 2.515 895 R HA 0.677 5.016 4.340 -0.002 0.000 0.291 895 R C -1.451 174.907 176.300 0.097 0.000 1.046 895 R CA -0.566 55.578 56.100 0.075 0.000 0.914 895 R CB 1.983 32.327 30.300 0.073 0.000 1.191 895 R HN 0.770 nan 8.270 nan 0.000 0.435 896 G N 2.124 111.005 108.800 0.135 0.000 2.609 896 G HA2 0.430 4.388 3.960 -0.002 0.000 0.308 896 G HA3 0.430 4.388 3.960 -0.002 0.000 0.308 896 G C -0.588 174.407 174.900 0.159 0.000 1.369 896 G CA -0.428 44.786 45.100 0.190 0.000 0.958 896 G HN 0.566 nan 8.290 nan 0.000 0.499 897 T N -0.561 114.084 114.554 0.152 0.000 2.932 897 T HA 0.848 5.197 4.350 -0.002 0.000 0.289 897 T C 0.171 174.892 174.700 0.035 0.000 1.039 897 T CA -0.569 61.561 62.100 0.049 0.000 1.024 897 T CB 2.333 71.183 68.868 -0.030 0.000 1.090 897 T HN 1.050 nan 8.240 nan 0.000 0.496 898 G N 0.495 109.225 108.800 -0.117 0.000 2.638 898 G HA2 0.639 4.598 3.960 -0.002 0.000 0.302 898 G HA3 0.639 4.598 3.960 -0.002 0.000 0.302 898 G C -1.542 173.164 174.900 -0.323 0.000 1.365 898 G CA -0.980 43.993 45.100 -0.212 0.000 0.987 898 G HN 0.730 nan 8.290 nan 0.000 0.495 899 R N 0.572 120.835 120.500 -0.394 0.000 2.621 899 R HA 0.574 4.913 4.340 -0.002 0.000 0.284 899 R C -1.115 175.122 176.300 -0.105 0.000 0.998 899 R CA -0.783 55.113 56.100 -0.341 0.000 0.895 899 R CB 1.522 31.499 30.300 -0.537 0.000 1.195 899 R HN 0.424 nan 8.270 nan 0.000 0.450 900 L N 3.718 124.958 121.223 0.029 0.000 2.265 900 L HA 0.508 4.847 4.340 -0.002 0.000 0.289 900 L C -0.496 176.566 176.870 0.320 0.000 1.033 900 L CA -0.911 54.018 54.840 0.148 0.000 0.814 900 L CB 1.578 43.735 42.059 0.163 0.000 1.203 900 L HN 0.555 nan 8.230 nan 0.000 0.423 901 C N 2.919 122.376 119.300 0.261 0.000 2.394 901 C HA 0.181 4.640 4.460 -0.002 0.000 0.362 901 C C 0.770 175.708 174.990 -0.088 0.000 1.268 901 C CA -0.868 58.222 59.018 0.120 0.000 1.828 901 C CB 0.177 27.973 27.740 0.093 0.000 2.442 901 C HN 0.691 nan 8.230 nan 0.000 0.549 902 K N 3.489 123.650 120.400 -0.398 0.000 2.310 902 K HA 0.367 4.686 4.320 -0.002 0.000 0.290 902 K C 0.185 176.584 176.600 -0.335 0.000 1.077 902 K CA 0.274 56.158 56.287 -0.671 0.000 0.922 902 K CB 0.328 32.192 32.500 -1.060 0.000 1.057 902 K HN 0.917 nan 8.250 nan 0.000 0.479 903 T N 0.400 114.848 114.554 -0.177 0.000 2.906 903 T HA 0.286 4.635 4.350 -0.002 0.000 0.295 903 T C -0.025 174.593 174.700 -0.137 0.000 1.075 903 T CA -1.117 60.892 62.100 -0.152 0.000 1.005 903 T CB 1.105 69.900 68.868 -0.122 0.000 1.136 903 T HN 0.437 nan 8.240 nan 0.000 0.498 904 N N 1.712 120.317 118.700 -0.157 0.000 3.193 904 N HA 0.303 5.042 4.740 -0.002 0.000 0.312 904 N C -0.899 174.533 175.510 -0.130 0.000 1.261 904 N CA 0.125 53.081 53.050 -0.155 0.000 1.208 904 N CB -0.728 37.673 38.487 -0.144 0.000 1.471 904 N HN 0.514 nan 8.380 nan 0.000 0.548 905 L N -0.364 120.787 121.223 -0.120 0.000 2.424 905 L HA 0.259 4.598 4.340 -0.002 0.000 0.258 905 L C 0.240 177.068 176.870 -0.071 0.000 0.995 905 L CA -0.815 53.953 54.840 -0.120 0.000 0.821 905 L CB 1.993 43.941 42.059 -0.184 0.000 1.383 905 L HN -0.059 nan 8.230 nan 0.000 0.410 906 S N 1.029 116.710 115.700 -0.032 0.000 2.702 906 S HA -0.084 4.385 4.470 -0.002 0.000 0.314 906 S C 0.351 174.946 174.600 -0.008 0.000 1.244 906 S CA 0.185 58.383 58.200 -0.004 0.000 1.058 906 S CB 0.323 63.552 63.200 0.048 0.000 0.783 906 S HN 0.554 nan 8.310 nan 0.000 0.503 907 S N 3.995 119.692 115.700 -0.005 0.000 2.555 907 S HA 0.016 4.484 4.470 -0.002 0.000 0.293 907 S C 0.393 175.006 174.600 0.022 0.000 1.248 907 S CA -0.542 57.666 58.200 0.014 0.000 1.096 907 S CB -0.249 62.969 63.200 0.029 0.000 0.881 907 S HN 0.624 nan 8.310 nan 0.000 0.498 908 N N 2.982 121.640 118.700 -0.070 0.000 2.467 908 N HA 0.356 5.095 4.740 -0.002 0.000 0.262 908 N C 0.265 175.808 175.510 0.056 0.000 1.234 908 N CA -0.003 52.940 53.050 -0.179 0.000 0.952 908 N CB 1.488 39.544 38.487 -0.718 0.000 1.158 908 N HN 0.682 nan 8.380 nan 0.000 0.463 909 T N -1.349 113.369 114.554 0.273 0.000 2.618 909 T HA 0.616 4.965 4.350 -0.002 0.000 0.293 909 T C -1.299 173.723 174.700 0.536 0.000 1.093 909 T CA -0.538 61.827 62.100 0.440 0.000 1.061 909 T CB 0.450 69.526 68.868 0.347 0.000 1.498 909 T HN 0.471 nan 8.240 nan 0.000 0.494 910 A N 1.132 124.277 122.820 0.541 0.000 2.477 910 A HA 0.604 4.923 4.320 -0.002 0.000 0.246 910 A C -0.786 177.231 177.584 0.722 0.000 1.078 910 A CA -0.017 52.421 52.037 0.670 0.000 0.770 910 A CB -0.623 18.819 19.000 0.737 0.000 1.011 910 A HN 0.704 nan 8.150 nan 0.000 0.494 911 F N 2.288 122.543 119.950 0.508 0.000 2.585 911 F HA 0.430 4.956 4.527 -0.002 0.000 0.319 911 F C 0.601 176.601 175.800 0.334 0.000 1.165 911 F CA -1.071 57.190 58.000 0.436 0.000 0.949 911 F CB 1.172 40.292 39.000 0.201 0.000 1.218 911 F HN 0.788 nan 8.300 nan 0.000 0.453 912 R N 4.255 125.188 120.500 0.722 0.000 4.360 912 R HA -0.132 4.207 4.340 -0.002 0.000 0.119 912 R C 0.891 177.386 176.300 0.324 0.000 0.311 912 R CA 1.875 58.260 56.100 0.474 0.000 0.816 912 R CB -0.790 29.810 30.300 0.500 0.000 1.070 912 R HN 1.183 nan 8.270 nan 0.000 0.227 913 G N 3.292 112.258 108.800 0.277 0.000 2.391 913 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.204 913 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.204 913 G C 0.258 175.446 174.900 0.479 0.000 1.012 913 G CA -0.074 45.205 45.100 0.298 0.000 0.651 913 G HN 0.762 nan 8.290 nan 0.000 0.494 914 F N 0.646 120.728 119.950 0.219 0.000 3.074 914 F HA 0.044 4.570 4.527 -0.002 0.000 0.287 914 F C 1.801 177.662 175.800 0.101 0.000 0.932 914 F CA 2.646 60.760 58.000 0.191 0.000 0.995 914 F CB -1.027 38.092 39.000 0.198 0.000 0.966 914 F HN 2.041 nan 8.300 nan 0.000 0.721 915 G N -0.941 107.857 108.800 -0.004 0.000 2.258 915 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.233 915 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.233 915 G C 1.527 176.311 174.900 -0.194 0.000 1.006 915 G CA 0.698 45.700 45.100 -0.163 0.000 0.620 915 G HN 1.490 nan 8.290 nan 0.000 0.511 916 G N 1.806 110.546 108.800 -0.101 0.000 2.433 916 G HA2 0.074 4.033 3.960 -0.002 0.000 0.216 916 G HA3 0.074 4.033 3.960 -0.002 0.000 0.216 916 G C 0.130 174.942 174.900 -0.147 0.000 1.186 916 G CA 2.022 46.989 45.100 -0.222 0.000 0.779 916 G HN 0.538 nan 8.290 nan 0.000 0.543 917 P HA -0.147 nan 4.420 nan 0.000 0.215 917 P C 1.776 179.098 177.300 0.037 0.000 1.157 917 P CA 1.591 64.752 63.100 0.100 0.000 0.874 917 P CB -0.061 31.701 31.700 0.103 0.000 0.790 918 Q N -0.507 119.182 119.800 -0.185 0.000 2.050 918 Q HA -0.108 4.231 4.340 -0.002 0.000 0.202 918 Q C 2.304 178.202 176.000 -0.171 0.000 0.980 918 Q CA 2.116 57.737 55.803 -0.302 0.000 0.840 918 Q CB -1.471 26.646 28.738 -1.035 0.000 0.898 918 Q HN 0.199 nan 8.270 nan 0.000 0.424 919 A N 0.235 122.917 122.820 -0.231 0.000 1.897 919 A HA -0.083 4.236 4.320 -0.002 0.000 0.215 919 A C 2.081 179.624 177.584 -0.068 0.000 1.181 919 A CA 0.994 53.014 52.037 -0.028 0.000 0.620 919 A CB -0.653 18.341 19.000 -0.011 0.000 0.821 919 A HN 0.320 nan 8.150 nan 0.000 0.443 920 L N -1.925 119.135 121.223 -0.272 0.000 2.046 920 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 920 L C 2.468 179.044 176.870 -0.490 0.000 1.077 920 L CA 1.615 56.073 54.840 -0.637 0.000 0.747 920 L CB -0.564 40.609 42.059 -1.477 0.000 0.896 920 L HN 0.520 nan 8.230 nan 0.000 0.432 921 F N 0.870 120.662 119.950 -0.263 0.000 2.102 921 F HA -0.227 4.299 4.527 -0.002 0.000 0.298 921 F C 2.248 178.015 175.800 -0.055 0.000 1.105 921 F CA 1.427 59.477 58.000 0.084 0.000 1.239 921 F CB -0.200 38.842 39.000 0.069 0.000 0.991 921 F HN -0.119 nan 8.300 nan 0.000 0.474 922 I N 0.559 121.040 120.570 -0.147 0.000 2.118 922 I HA -0.382 3.787 4.170 -0.002 0.000 0.241 922 I C 2.751 178.586 176.117 -0.470 0.000 1.070 922 I CA 1.577 62.730 61.300 -0.245 0.000 1.327 922 I CB -1.025 37.006 38.000 0.051 0.000 1.034 922 I HN 0.271 nan 8.210 nan 0.000 0.405 923 A N 0.013 122.589 122.820 -0.408 0.000 1.908 923 A HA -0.206 4.112 4.320 -0.002 0.000 0.218 923 A C 2.218 179.029 177.584 -1.289 0.000 1.181 923 A CA 1.626 53.135 52.037 -0.881 0.000 0.627 923 A CB -0.443 18.373 19.000 -0.307 0.000 0.818 923 A HN 0.361 nan 8.150 nan 0.000 0.445 924 E N -0.248 119.542 120.200 -0.684 0.000 2.208 924 E HA -0.139 4.209 4.350 -0.002 0.000 0.193 924 E C 1.748 177.873 176.600 -0.793 0.000 0.988 924 E CA 1.015 56.998 56.400 -0.695 0.000 0.828 924 E CB -0.464 28.951 29.700 -0.476 0.000 0.763 924 E HN 0.718 nan 8.360 nan 0.000 0.478 925 N N 1.143 119.473 118.700 -0.617 0.000 2.058 925 N HA -0.156 4.583 4.740 -0.002 0.000 0.191 925 N C 1.887 177.164 175.510 -0.387 0.000 1.037 925 N CA 1.968 54.771 53.050 -0.411 0.000 0.848 925 N CB -0.334 37.825 38.487 -0.546 0.000 1.021 925 N HN 0.358 nan 8.380 nan 0.000 0.422 926 W N -0.540 120.515 121.300 -0.408 0.000 2.392 926 W HA -0.088 4.571 4.660 -0.002 0.000 0.279 926 W C 1.624 177.988 176.519 -0.258 0.000 1.225 926 W CA 0.307 57.479 57.345 -0.289 0.000 1.233 926 W CB -0.821 28.495 29.460 -0.240 0.000 1.122 926 W HN 0.178 nan 8.180 nan 0.000 0.561 927 M N 3.150 122.434 119.600 -0.526 0.000 2.254 927 M HA -0.115 4.364 4.480 -0.002 0.000 0.265 927 M C 2.461 178.557 176.300 -0.340 0.000 1.066 927 M CA 2.577 57.593 55.300 -0.473 0.000 1.123 927 M CB -0.762 31.332 32.600 -0.844 0.000 1.388 927 M HN 0.029 nan 8.290 nan 0.000 0.425 928 S N -0.939 114.552 115.700 -0.347 0.000 2.453 928 S HA -0.076 4.393 4.470 -0.002 0.000 0.231 928 S C 1.647 176.178 174.600 -0.115 0.000 1.005 928 S CA 1.188 59.255 58.200 -0.221 0.000 0.949 928 S CB -0.645 62.444 63.200 -0.184 0.000 0.774 928 S HN 0.690 nan 8.310 nan 0.000 0.510 929 E N 0.778 120.919 120.200 -0.099 0.000 2.122 929 E HA 0.035 4.384 4.350 -0.002 0.000 0.190 929 E C 2.054 178.577 176.600 -0.128 0.000 0.977 929 E CA 0.766 57.138 56.400 -0.047 0.000 0.820 929 E CB -0.227 29.502 29.700 0.049 0.000 0.770 929 E HN 0.343 nan 8.360 nan 0.000 0.462 930 V N 1.642 121.386 119.914 -0.285 0.000 2.287 930 V HA -0.311 3.808 4.120 -0.002 0.000 0.248 930 V C 2.316 178.221 176.094 -0.314 0.000 1.053 930 V CA 2.087 63.994 62.300 -0.656 0.000 1.027 930 V CB -0.616 30.797 31.823 -0.683 0.000 0.646 930 V HN 0.337 nan 8.190 nan 0.000 0.447 931 A N -0.871 121.844 122.820 -0.175 0.000 2.014 931 A HA -0.080 4.239 4.320 -0.002 0.000 0.218 931 A C 2.318 179.898 177.584 -0.007 0.000 1.163 931 A CA 1.650 53.644 52.037 -0.071 0.000 0.652 931 A CB -0.374 18.589 19.000 -0.061 0.000 0.808 931 A HN 0.351 nan 8.150 nan 0.000 0.449 932 V N -0.542 119.370 119.914 -0.005 0.000 2.346 932 V HA -0.169 3.950 4.120 -0.002 0.000 0.244 932 V C 2.697 178.835 176.094 0.072 0.000 1.037 932 V CA 2.343 64.668 62.300 0.042 0.000 1.029 932 V CB -1.187 30.664 31.823 0.047 0.000 0.663 932 V HN 0.560 nan 8.190 nan 0.000 0.454 933 T N -0.877 113.727 114.554 0.085 0.000 2.759 933 T HA -0.234 4.115 4.350 -0.002 0.000 0.269 933 T C 1.694 176.515 174.700 0.202 0.000 1.042 933 T CA 1.941 64.146 62.100 0.175 0.000 1.140 933 T CB -0.482 68.570 68.868 0.306 0.000 0.864 933 T HN 0.532 nan 8.240 nan 0.000 0.455 934 C N 1.033 120.446 119.300 0.189 0.000 2.626 934 C HA 0.455 4.914 4.460 -0.002 0.000 0.266 934 C C 2.095 177.149 174.990 0.108 0.000 1.317 934 C CA -0.608 58.514 59.018 0.173 0.000 1.716 934 C CB -1.462 26.384 27.740 0.177 0.000 1.819 934 C HN 0.787 nan 8.230 nan 0.000 0.578 935 G N 1.326 110.180 108.800 0.090 0.000 2.341 935 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.292 935 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.292 935 G C -0.205 174.736 174.900 0.068 0.000 1.021 935 G CA 0.329 45.473 45.100 0.073 0.000 0.905 935 G HN 0.576 nan 8.290 nan 0.000 0.508 936 L N -0.658 120.606 121.223 0.068 0.000 2.322 936 L HA 0.582 4.921 4.340 -0.002 0.000 0.269 936 L C -1.896 175.019 176.870 0.075 0.000 1.012 936 L CA -2.743 52.140 54.840 0.072 0.000 0.815 936 L CB 1.691 43.794 42.059 0.073 0.000 1.295 936 L HN -0.148 nan 8.230 nan 0.000 0.438 937 P HA 0.051 nan 4.420 nan 0.000 0.269 937 P C -0.015 177.352 177.300 0.112 0.000 1.209 937 P CA -0.095 63.075 63.100 0.116 0.000 0.776 937 P CB 0.839 32.634 31.700 0.157 0.000 0.876 938 A N 3.097 125.984 122.820 0.111 0.000 1.858 938 A HA -0.234 4.085 4.320 -0.002 0.000 0.216 938 A C 1.766 179.437 177.584 0.144 0.000 1.190 938 A CA 1.866 53.953 52.037 0.085 0.000 0.617 938 A CB -1.242 17.796 19.000 0.064 0.000 0.827 938 A HN 0.629 nan 8.150 nan 0.000 0.443 939 E N 0.235 120.559 120.200 0.208 0.000 2.160 939 E HA -0.192 4.157 4.350 -0.002 0.000 0.195 939 E C 1.811 178.652 176.600 0.402 0.000 0.991 939 E CA 1.309 57.921 56.400 0.353 0.000 0.810 939 E CB -0.337 29.449 29.700 0.144 0.000 0.742 939 E HN 0.818 nan 8.360 nan 0.000 0.466 940 E N 0.696 121.061 120.200 0.275 0.000 2.047 940 E HA -0.156 4.193 4.350 -0.002 0.000 0.191 940 E C 1.965 178.689 176.600 0.207 0.000 0.987 940 E CA 1.301 57.851 56.400 0.249 0.000 0.799 940 E CB 0.151 29.958 29.700 0.179 0.000 0.752 940 E HN 0.173 nan 8.360 nan 0.000 0.449 941 V N 0.996 120.980 119.914 0.118 0.000 2.307 941 V HA -0.219 3.899 4.120 -0.002 0.000 0.245 941 V C 2.454 178.513 176.094 -0.059 0.000 1.045 941 V CA 1.825 64.136 62.300 0.017 0.000 1.024 941 V CB -0.518 31.283 31.823 -0.037 0.000 0.651 941 V HN 0.226 nan 8.190 nan 0.000 0.449 942 R N -0.981 119.498 120.500 -0.035 0.000 2.083 942 R HA -0.220 4.119 4.340 -0.002 0.000 0.237 942 R C 2.262 178.497 176.300 -0.109 0.000 1.137 942 R CA 2.174 58.196 56.100 -0.130 0.000 0.951 942 R CB -0.432 29.887 30.300 0.031 0.000 0.851 942 R HN 0.705 nan 8.270 nan 0.000 0.434 943 W N 2.114 123.280 121.300 -0.223 0.000 2.333 943 W HA -0.239 4.420 4.660 -0.002 0.000 0.316 943 W C 1.431 177.869 176.519 -0.136 0.000 1.215 943 W CA 1.480 58.669 57.345 -0.260 0.000 1.278 943 W CB -0.218 29.198 29.460 -0.074 0.000 1.154 943 W HN 0.045 nan 8.180 nan 0.000 0.486 944 K N -0.184 120.215 120.400 -0.003 0.000 2.173 944 K HA -0.230 4.089 4.320 -0.002 0.000 0.207 944 K C 1.378 177.858 176.600 -0.200 0.000 1.046 944 K CA 1.689 57.923 56.287 -0.090 0.000 0.929 944 K CB -0.333 32.168 32.500 0.003 0.000 0.720 944 K HN 0.171 nan 8.250 nan 0.000 0.453 945 N N -0.080 118.495 118.700 -0.208 0.000 2.280 945 N HA 0.044 4.783 4.740 -0.002 0.000 0.192 945 N C 0.250 175.675 175.510 -0.142 0.000 1.109 945 N CA 0.069 53.006 53.050 -0.188 0.000 0.855 945 N CB 0.351 38.676 38.487 -0.270 0.000 0.974 945 N HN 0.195 nan 8.380 nan 0.000 0.482 946 M N 0.675 120.134 119.600 -0.235 0.000 2.243 946 M HA 0.074 4.553 4.480 -0.002 0.000 0.341 946 M C -0.313 175.783 176.300 -0.340 0.000 1.130 946 M CA -0.268 54.878 55.300 -0.257 0.000 1.162 946 M CB 0.644 32.986 32.600 -0.430 0.000 1.497 946 M HN 0.021 nan 8.290 nan 0.000 0.456 947 Y N 3.211 123.318 120.300 -0.322 0.000 2.652 947 Y HA -0.010 4.539 4.550 -0.002 0.000 0.344 947 Y C 0.495 176.039 175.900 -0.594 0.000 1.254 947 Y CA 0.242 57.992 58.100 -0.583 0.000 1.480 947 Y CB 0.427 38.233 38.460 -1.089 0.000 1.345 947 Y HN 0.406 nan 8.280 nan 0.000 0.617 948 K N 1.616 121.835 120.400 -0.302 0.000 2.156 948 K HA 0.161 4.480 4.320 -0.002 0.000 0.250 948 K C -0.615 175.807 176.600 -0.297 0.000 0.955 948 K CA -1.218 54.929 56.287 -0.233 0.000 0.855 948 K CB 1.454 33.863 32.500 -0.151 0.000 1.101 948 K HN 0.562 nan 8.250 nan 0.000 0.434 949 E N 0.379 120.508 120.200 -0.117 0.000 3.197 949 E HA -0.109 4.240 4.350 -0.002 0.000 0.251 949 E C 0.837 177.360 176.600 -0.129 0.000 0.912 949 E CA 1.963 58.315 56.400 -0.080 0.000 0.960 949 E CB -0.594 29.104 29.700 -0.004 0.000 0.897 949 E HN 0.780 nan 8.360 nan 0.000 0.550 950 G N 3.662 112.365 108.800 -0.161 0.000 2.175 950 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.244 950 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.244 950 G C -0.075 174.724 174.900 -0.168 0.000 0.982 950 G CA -0.002 45.019 45.100 -0.132 0.000 0.641 950 G HN 0.622 nan 8.290 nan 0.000 0.527 951 D N 0.392 120.652 120.400 -0.232 0.000 2.378 951 D HA 0.429 5.068 4.640 -0.002 0.000 0.238 951 D C 1.167 177.300 176.300 -0.278 0.000 1.180 951 D CA 0.197 54.078 54.000 -0.198 0.000 0.895 951 D CB 0.559 41.303 40.800 -0.093 0.000 1.192 951 D HN 0.345 nan 8.370 nan 0.000 0.438 952 L N 1.254 122.362 121.223 -0.191 0.000 2.289 952 L HA 0.260 4.599 4.340 -0.002 0.000 0.285 952 L C 1.202 177.909 176.870 -0.272 0.000 1.049 952 L CA -0.870 53.824 54.840 -0.244 0.000 0.804 952 L CB 1.158 43.125 42.059 -0.152 0.000 1.195 952 L HN 0.431 nan 8.230 nan 0.000 0.428 953 T N -2.241 111.989 114.554 -0.539 0.000 2.791 953 T HA -0.070 4.279 4.350 -0.002 0.000 0.323 953 T C 1.509 175.982 174.700 -0.378 0.000 1.082 953 T CA -0.095 61.646 62.100 -0.598 0.000 1.084 953 T CB 0.395 68.343 68.868 -1.533 0.000 0.992 953 T HN 0.768 nan 8.240 nan 0.000 0.547 954 H N 0.987 119.942 119.070 -0.193 0.000 2.518 954 H HA -0.097 4.458 4.556 -0.002 0.000 0.294 954 H C 1.102 176.453 175.328 0.038 0.000 1.083 954 H CA 1.393 57.425 56.048 -0.026 0.000 1.264 954 H CB -0.831 28.981 29.762 0.083 0.000 1.370 954 H HN 0.835 nan 8.280 nan 0.000 0.560 955 F N -0.042 119.655 119.950 -0.422 0.000 2.639 955 F HA 0.406 4.932 4.527 -0.002 0.000 0.300 955 F C 0.094 175.870 175.800 -0.040 0.000 1.109 955 F CA -0.924 56.930 58.000 -0.243 0.000 1.335 955 F CB -0.105 38.592 39.000 -0.505 0.000 1.014 955 F HN -0.138 nan 8.300 nan 0.000 0.537 956 N N 1.195 119.784 118.700 -0.185 0.000 2.776 956 N HA -0.254 4.485 4.740 -0.002 0.000 0.250 956 N C -0.219 175.240 175.510 -0.084 0.000 1.112 956 N CA 0.998 53.997 53.050 -0.085 0.000 0.733 956 N CB -1.206 37.301 38.487 0.033 0.000 1.097 956 N HN 0.769 nan 8.380 nan 0.000 0.558 957 Q N 0.522 120.178 119.800 -0.241 0.000 2.241 957 Q HA 0.375 4.713 4.340 -0.002 0.000 0.254 957 Q C 0.159 176.065 176.000 -0.157 0.000 0.917 957 Q CA -0.736 55.012 55.803 -0.090 0.000 0.919 957 Q CB 1.159 29.980 28.738 0.139 0.000 1.237 957 Q HN 0.251 nan 8.270 nan 0.000 0.434 958 R N 3.316 123.782 120.500 -0.058 0.000 2.537 958 R HA 0.139 4.478 4.340 -0.002 0.000 0.280 958 R C -1.024 175.239 176.300 -0.061 0.000 1.058 958 R CA 0.144 56.196 56.100 -0.080 0.000 1.057 958 R CB 0.293 30.577 30.300 -0.026 0.000 0.973 958 R HN 0.618 nan 8.270 nan 0.000 0.438 959 L N 5.225 126.336 121.223 -0.187 0.000 2.288 959 L HA 0.269 4.608 4.340 -0.002 0.000 0.283 959 L C -0.188 176.677 176.870 -0.008 0.000 1.072 959 L CA -0.090 54.652 54.840 -0.162 0.000 0.862 959 L CB 0.952 42.702 42.059 -0.515 0.000 1.245 959 L HN 0.660 nan 8.230 nan 0.000 0.432 960 E N 2.266 122.540 120.200 0.124 0.000 2.216 960 E HA 0.396 4.745 4.350 -0.002 0.000 0.279 960 E C 0.707 177.418 176.600 0.185 0.000 0.997 960 E CA -0.346 56.125 56.400 0.118 0.000 0.817 960 E CB 1.579 31.336 29.700 0.095 0.000 1.096 960 E HN 0.700 nan 8.360 nan 0.000 0.393 961 G N 3.113 111.991 108.800 0.130 0.000 2.295 961 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.287 961 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.287 961 G C -0.269 174.709 174.900 0.130 0.000 1.055 961 G CA -0.120 45.055 45.100 0.125 0.000 0.922 961 G HN 0.516 nan 8.290 nan 0.000 0.503 962 F N 2.356 122.224 119.950 -0.137 0.000 2.516 962 F HA 0.417 4.943 4.527 -0.002 0.000 0.351 962 F C 1.475 176.982 175.800 -0.488 0.000 1.208 962 F CA -0.130 57.580 58.000 -0.483 0.000 1.073 962 F CB 0.398 39.183 39.000 -0.359 0.000 1.203 962 F HN 0.301 nan 8.300 nan 0.000 0.602 963 S N 2.868 118.009 115.700 -0.931 0.000 2.597 963 S HA 0.052 4.520 4.470 -0.002 0.000 0.224 963 S C 1.458 175.761 174.600 -0.496 0.000 0.955 963 S CA 0.156 58.075 58.200 -0.468 0.000 0.933 963 S CB -0.364 62.741 63.200 -0.159 0.000 0.788 963 S HN 0.401 nan 8.310 nan 0.000 0.488 964 V N 2.716 122.056 119.914 -0.957 0.000 2.343 964 V HA -0.046 4.073 4.120 -0.002 0.000 0.247 964 V C -0.418 175.599 176.094 -0.129 0.000 1.051 964 V CA 1.654 63.620 62.300 -0.556 0.000 1.036 964 V CB -1.654 29.706 31.823 -0.771 0.000 0.654 964 V HN 0.390 nan 8.190 nan 0.000 0.451 965 P HA -0.171 nan 4.420 nan 0.000 0.216 965 P C 1.743 179.190 177.300 0.246 0.000 1.153 965 P CA 1.560 64.823 63.100 0.271 0.000 0.858 965 P CB -0.132 31.725 31.700 0.262 0.000 0.789 966 R N -1.099 119.460 120.500 0.098 0.000 2.081 966 R HA -0.110 4.228 4.340 -0.002 0.000 0.235 966 R C 2.374 178.726 176.300 0.086 0.000 1.131 966 R CA 1.680 57.828 56.100 0.079 0.000 0.960 966 R CB -1.298 29.019 30.300 0.029 0.000 0.856 966 R HN 0.246 nan 8.270 nan 0.000 0.436 967 C N -0.406 118.939 119.300 0.075 0.000 2.429 967 C HA -0.136 4.323 4.460 -0.002 0.000 0.277 967 C C 2.412 177.490 174.990 0.146 0.000 1.262 967 C CA 0.093 59.164 59.018 0.089 0.000 1.733 967 C CB -1.063 26.726 27.740 0.083 0.000 2.010 967 C HN 0.667 nan 8.230 nan 0.000 0.483 968 W N 1.923 123.229 121.300 0.010 0.000 2.378 968 W HA -0.108 4.551 4.660 -0.002 0.000 0.313 968 W C 1.988 178.488 176.519 -0.032 0.000 1.197 968 W CA 1.664 59.021 57.345 0.020 0.000 1.304 968 W CB -0.598 28.948 29.460 0.144 0.000 1.148 968 W HN 0.410 nan 8.180 nan 0.000 0.494 969 D N 0.069 120.574 120.400 0.174 0.000 2.097 969 D HA -0.216 4.423 4.640 -0.002 0.000 0.195 969 D C 1.936 178.213 176.300 -0.038 0.000 0.989 969 D CA 1.558 55.569 54.000 0.018 0.000 0.827 969 D CB -0.455 40.375 40.800 0.050 0.000 0.966 969 D HN 0.353 nan 8.370 nan 0.000 0.456 970 E N 0.179 120.378 120.200 -0.002 0.000 2.077 970 E HA -0.166 4.183 4.350 -0.002 0.000 0.193 970 E C 2.223 178.790 176.600 -0.056 0.000 0.989 970 E CA 0.573 56.963 56.400 -0.018 0.000 0.800 970 E CB -0.014 29.688 29.700 0.004 0.000 0.746 970 E HN 0.165 nan 8.360 nan 0.000 0.452 971 C N 0.348 119.598 119.300 -0.084 0.000 2.432 971 C HA -0.103 4.356 4.460 -0.002 0.000 0.277 971 C C 2.666 177.539 174.990 -0.196 0.000 1.249 971 C CA 0.636 59.574 59.018 -0.134 0.000 1.725 971 C CB -1.116 26.530 27.740 -0.157 0.000 2.028 971 C HN 0.442 nan 8.230 nan 0.000 0.477 972 L N 0.569 121.605 121.223 -0.312 0.000 2.043 972 L HA -0.211 4.128 4.340 -0.002 0.000 0.212 972 L C 2.778 179.576 176.870 -0.119 0.000 1.075 972 L CA 1.966 56.611 54.840 -0.326 0.000 0.752 972 L CB -0.665 41.139 42.059 -0.424 0.000 0.891 972 L HN 0.422 nan 8.230 nan 0.000 0.432 973 K N -0.215 120.139 120.400 -0.076 0.000 1.991 973 K HA -0.141 4.178 4.320 -0.002 0.000 0.207 973 K C 2.354 178.942 176.600 -0.021 0.000 1.045 973 K CA 1.610 57.885 56.287 -0.021 0.000 0.937 973 K CB -0.059 32.432 32.500 -0.015 0.000 0.720 973 K HN 0.326 nan 8.250 nan 0.000 0.438 974 S N 0.272 115.953 115.700 -0.032 0.000 2.447 974 S HA -0.101 4.368 4.470 -0.002 0.000 0.233 974 S C 1.872 176.454 174.600 -0.030 0.000 1.006 974 S CA 1.443 59.627 58.200 -0.027 0.000 0.957 974 S CB -0.234 62.948 63.200 -0.029 0.000 0.773 974 S HN 0.358 nan 8.310 nan 0.000 0.507 975 S N 0.561 116.236 115.700 -0.042 0.000 2.527 975 S HA 0.101 4.569 4.470 -0.002 0.000 0.222 975 S C 0.644 175.231 174.600 -0.021 0.000 0.985 975 S CA 0.197 58.376 58.200 -0.035 0.000 0.921 975 S CB -0.797 62.375 63.200 -0.047 0.000 0.772 975 S HN 0.592 nan 8.310 nan 0.000 0.529 976 Q N -0.453 119.341 119.800 -0.011 0.000 2.460 976 Q HA -0.263 4.076 4.340 -0.002 0.000 0.311 976 Q C 0.101 176.093 176.000 -0.013 0.000 1.396 976 Q CA 0.694 56.499 55.803 0.003 0.000 0.838 976 Q CB -2.225 26.507 28.738 -0.009 0.000 1.140 976 Q HN 0.834 nan 8.270 nan 0.000 0.415 977 Y N -0.596 119.590 120.300 -0.190 0.000 2.163 977 Y HA -0.270 4.279 4.550 -0.002 0.000 0.288 977 Y C 1.617 177.345 175.900 -0.286 0.000 1.136 977 Y CA 2.305 60.217 58.100 -0.313 0.000 1.147 977 Y CB -0.158 37.981 38.460 -0.535 0.000 0.987 977 Y HN 0.401 nan 8.280 nan 0.000 0.509 978 Y N -0.343 119.987 120.300 0.051 0.000 2.224 978 Y HA -0.193 4.355 4.550 -0.002 0.000 0.289 978 Y C 2.624 178.464 175.900 -0.100 0.000 1.146 978 Y CA 1.024 59.109 58.100 -0.025 0.000 1.182 978 Y CB -0.696 37.794 38.460 0.049 0.000 0.983 978 Y HN 0.258 nan 8.280 nan 0.000 0.524 979 A N 0.463 123.313 122.820 0.050 0.000 1.898 979 A HA -0.152 4.167 4.320 -0.002 0.000 0.216 979 A C 2.195 179.740 177.584 -0.065 0.000 1.181 979 A CA 1.326 53.362 52.037 -0.001 0.000 0.620 979 A CB -0.416 18.588 19.000 0.008 0.000 0.819 979 A HN 0.353 nan 8.150 nan 0.000 0.442 980 R N -0.532 119.890 120.500 -0.129 0.000 2.189 980 R HA -0.048 4.291 4.340 -0.002 0.000 0.218 980 R C 2.135 178.303 176.300 -0.219 0.000 1.074 980 R CA 1.251 57.254 56.100 -0.162 0.000 0.991 980 R CB -0.215 29.981 30.300 -0.174 0.000 0.883 980 R HN 0.576 nan 8.270 nan 0.000 0.457 981 K N 0.463 120.670 120.400 -0.321 0.000 2.217 981 K HA -0.025 4.294 4.320 -0.002 0.000 0.202 981 K C 1.948 178.469 176.600 -0.131 0.000 1.051 981 K CA 0.974 57.077 56.287 -0.306 0.000 0.952 981 K CB 0.158 32.398 32.500 -0.433 0.000 0.736 981 K HN -0.057 nan 8.250 nan 0.000 0.453 982 S N 1.246 116.898 115.700 -0.080 0.000 2.345 982 S HA -0.123 4.346 4.470 -0.002 0.000 0.220 982 S C 1.438 176.027 174.600 -0.019 0.000 1.031 982 S CA 1.376 59.559 58.200 -0.029 0.000 0.996 982 S CB -0.151 63.044 63.200 -0.009 0.000 0.882 982 S HN 0.394 nan 8.310 nan 0.000 0.445 983 E N 0.354 120.537 120.200 -0.028 0.000 2.171 983 E HA -0.139 4.210 4.350 -0.002 0.000 0.197 983 E C 1.983 178.598 176.600 0.024 0.000 0.997 983 E CA 1.159 57.558 56.400 -0.001 0.000 0.810 983 E CB -0.196 29.490 29.700 -0.023 0.000 0.738 983 E HN 0.263 nan 8.360 nan 0.000 0.467 984 V N 1.945 121.844 119.914 -0.024 0.000 2.229 984 V HA -0.232 3.887 4.120 -0.002 0.000 0.243 984 V C 1.730 177.862 176.094 0.064 0.000 1.042 984 V CA 2.073 64.368 62.300 -0.009 0.000 1.000 984 V CB -0.396 31.381 31.823 -0.078 0.000 0.637 984 V HN 0.227 nan 8.190 nan 0.000 0.446 985 D N -0.202 120.215 120.400 0.028 0.000 2.182 985 D HA -0.206 4.433 4.640 -0.002 0.000 0.201 985 D C 2.014 178.341 176.300 0.045 0.000 0.986 985 D CA 1.340 55.361 54.000 0.035 0.000 0.847 985 D CB -0.177 40.631 40.800 0.014 0.000 0.942 985 D HN 0.419 nan 8.370 nan 0.000 0.467 986 K N 0.191 120.621 120.400 0.050 0.000 1.978 986 K HA -0.181 4.138 4.320 -0.002 0.000 0.214 986 K C 2.112 178.757 176.600 0.075 0.000 1.049 986 K CA 1.050 57.365 56.287 0.047 0.000 0.939 986 K CB -0.472 32.056 32.500 0.046 0.000 0.721 986 K HN 0.056 nan 8.250 nan 0.000 0.441 987 F N 1.956 121.888 119.950 -0.030 0.000 2.154 987 F HA -0.279 4.247 4.527 -0.002 0.000 0.301 987 F C 1.628 177.410 175.800 -0.030 0.000 1.087 987 F CA 1.731 59.716 58.000 -0.025 0.000 1.274 987 F CB -0.164 38.823 39.000 -0.022 0.000 1.009 987 F HN 0.202 nan 8.300 nan 0.000 0.485 988 N N 0.661 119.483 118.700 0.203 0.000 2.309 988 N HA -0.132 4.607 4.740 -0.002 0.000 0.182 988 N C 1.621 177.088 175.510 -0.072 0.000 1.018 988 N CA 1.151 54.242 53.050 0.070 0.000 0.876 988 N CB -0.327 38.216 38.487 0.092 0.000 0.972 988 N HN 0.409 nan 8.380 nan 0.000 0.434 989 K N 0.897 121.257 120.400 -0.067 0.000 2.057 989 K HA -0.033 4.285 4.320 -0.002 0.000 0.206 989 K C 1.334 177.852 176.600 -0.135 0.000 1.050 989 K CA 1.011 57.244 56.287 -0.091 0.000 0.935 989 K CB 0.066 32.531 32.500 -0.058 0.000 0.715 989 K HN 0.284 nan 8.250 nan 0.000 0.439 990 E N 0.121 120.217 120.200 -0.174 0.000 2.478 990 E HA 0.052 4.401 4.350 -0.002 0.000 0.194 990 E C -0.191 176.235 176.600 -0.290 0.000 1.045 990 E CA 0.057 56.336 56.400 -0.202 0.000 0.868 990 E CB 0.281 29.872 29.700 -0.182 0.000 0.885 990 E HN 0.184 nan 8.360 nan 0.000 0.505 991 N N -0.161 118.310 118.700 -0.381 0.000 2.284 991 N HA 0.117 4.856 4.740 -0.002 0.000 0.300 991 N C -0.589 174.772 175.510 -0.248 0.000 1.047 991 N CA -0.252 52.559 53.050 -0.399 0.000 0.821 991 N CB 2.102 40.116 38.487 -0.788 0.000 1.337 991 N HN -0.005 nan 8.380 nan 0.000 0.482 992 C N 1.420 120.605 119.300 -0.193 0.000 2.464 992 C HA 0.289 4.747 4.460 -0.002 0.000 0.348 992 C C 1.000 175.766 174.990 -0.373 0.000 1.367 992 C CA -0.241 58.577 59.018 -0.333 0.000 2.012 992 C CB -0.516 27.008 27.740 -0.361 0.000 2.434 992 C HN 0.889 nan 8.230 nan 0.000 0.536 993 W N 1.557 122.915 121.300 0.096 0.000 3.008 993 W HA 0.429 5.088 4.660 -0.002 0.000 0.355 993 W C 0.533 177.109 176.519 0.096 0.000 1.095 993 W CA -0.340 57.080 57.345 0.125 0.000 1.738 993 W CB 0.316 29.830 29.460 0.090 0.000 1.091 993 W HN 0.043 nan 8.180 nan 0.000 0.574 994 K N 1.195 121.748 120.400 0.255 0.000 2.371 994 K HA 0.452 4.771 4.320 -0.002 0.000 0.251 994 K C -0.111 176.669 176.600 0.300 0.000 0.934 994 K CA -0.792 55.657 56.287 0.270 0.000 0.798 994 K CB 1.986 34.682 32.500 0.327 0.000 1.204 994 K HN -0.427 nan 8.250 nan 0.000 0.427 995 K N 2.003 122.580 120.400 0.294 0.000 2.480 995 K HA 0.512 4.831 4.320 -0.002 0.000 0.258 995 K C -0.721 175.966 176.600 0.145 0.000 0.990 995 K CA -0.883 55.574 56.287 0.284 0.000 0.857 995 K CB 2.293 34.873 32.500 0.134 0.000 1.384 995 K HN 0.518 nan 8.250 nan 0.000 0.446 996 R N -0.479 120.063 120.500 0.069 0.000 2.832 996 R HA 0.718 5.057 4.340 -0.002 0.000 0.271 996 R C -0.195 176.076 176.300 -0.049 0.000 0.996 996 R CA -0.935 55.096 56.100 -0.116 0.000 0.977 996 R CB 2.068 32.148 30.300 -0.367 0.000 1.168 996 R HN 0.774 nan 8.270 nan 0.000 0.482 997 G N 0.899 109.659 108.800 -0.067 0.000 2.612 997 G HA2 0.614 4.573 3.960 -0.002 0.000 0.298 997 G HA3 0.614 4.573 3.960 -0.002 0.000 0.298 997 G C -2.051 172.821 174.900 -0.047 0.000 1.336 997 G CA -0.435 44.643 45.100 -0.036 0.000 0.953 997 G HN 0.350 nan 8.290 nan 0.000 0.482 998 L N 0.867 122.073 121.223 -0.028 0.000 2.476 998 L HA 0.755 5.094 4.340 -0.002 0.000 0.269 998 L C -1.038 175.873 176.870 0.070 0.000 0.965 998 L CA -0.542 54.283 54.840 -0.025 0.000 0.845 998 L CB 1.597 43.568 42.059 -0.146 0.000 1.259 998 L HN 0.729 nan 8.230 nan 0.000 0.403 999 C N 5.652 125.020 119.300 0.113 0.000 2.698 999 C HA 0.673 5.131 4.460 -0.002 0.000 0.309 999 C C -0.873 174.182 174.990 0.109 0.000 1.186 999 C CA -0.785 58.321 59.018 0.147 0.000 1.474 999 C CB 1.284 29.118 27.740 0.157 0.000 2.020 999 C HN 0.860 nan 8.230 nan 0.000 0.474 1000 I N 5.855 126.439 120.570 0.023 0.000 2.410 1000 I HA 0.612 4.781 4.170 -0.002 0.000 0.286 1000 I C -1.245 174.879 176.117 0.012 0.000 1.009 1000 I CA -0.523 60.691 61.300 -0.144 0.000 1.111 1000 I CB 0.924 38.554 38.000 -0.617 0.000 1.262 1000 I HN 0.641 nan 8.210 nan 0.000 0.443 1001 I N 9.913 130.538 120.570 0.093 0.000 2.498 1001 I HA 0.504 4.673 4.170 -0.002 0.000 0.290 1001 I C -2.304 173.984 176.117 0.286 0.000 1.032 1001 I CA -1.870 59.549 61.300 0.199 0.000 1.073 1001 I CB 2.624 40.662 38.000 0.064 0.000 1.251 1001 I HN 0.391 nan 8.210 nan 0.000 0.426 1002 P HA 0.383 nan 4.420 nan 0.000 0.281 1002 P C -0.838 176.639 177.300 0.296 0.000 1.281 1002 P CA -0.414 62.870 63.100 0.306 0.000 0.811 1002 P CB 1.985 33.804 31.700 0.199 0.000 1.154 1003 T N -1.482 113.240 114.554 0.281 0.000 2.885 1003 T HA 0.496 4.845 4.350 -0.002 0.000 0.322 1003 T C -1.631 173.249 174.700 0.301 0.000 1.387 1003 T CA -0.721 61.572 62.100 0.323 0.000 1.041 1003 T CB 1.095 70.250 68.868 0.479 0.000 1.287 1003 T HN 0.677 nan 8.240 nan 0.000 0.491 1004 K N 2.040 122.614 120.400 0.291 0.000 2.435 1004 K HA 0.789 5.108 4.320 -0.002 0.000 0.251 1004 K C -1.981 174.818 176.600 0.331 0.000 0.954 1004 K CA -0.861 55.591 56.287 0.276 0.000 0.820 1004 K CB 2.132 34.821 32.500 0.315 0.000 1.292 1004 K HN 0.449 nan 8.250 nan 0.000 0.436 1005 F N 0.993 120.988 119.950 0.076 0.000 2.573 1005 F HA 0.433 4.959 4.527 -0.002 0.000 0.316 1005 F C -0.273 175.442 175.800 -0.142 0.000 1.148 1005 F CA -0.327 57.703 58.000 0.051 0.000 0.940 1005 F CB 2.152 41.103 39.000 -0.081 0.000 1.214 1005 F HN 0.807 nan 8.300 nan 0.000 0.448 1006 G N 6.621 115.034 108.800 -0.644 0.000 2.358 1006 G HA2 0.416 4.374 3.960 -0.002 0.000 0.273 1006 G HA3 0.416 4.374 3.960 -0.002 0.000 0.273 1006 G C -0.660 173.520 174.900 -1.200 0.000 1.215 1006 G CA -0.403 43.610 45.100 -1.812 0.000 0.910 1006 G HN 0.459 nan 8.290 nan 0.000 0.467 1007 I N 1.654 121.708 120.570 -0.860 0.000 2.315 1007 I HA 0.513 4.682 4.170 -0.002 0.000 0.291 1007 I C 0.406 176.358 176.117 -0.275 0.000 1.006 1007 I CA -0.118 60.869 61.300 -0.522 0.000 1.265 1007 I CB 0.161 37.636 38.000 -0.875 0.000 1.387 1007 I HN 0.451 nan 8.210 nan 0.000 0.475 1008 S N 4.755 120.373 115.700 -0.136 0.000 2.899 1008 S HA 0.122 4.591 4.470 -0.002 0.000 0.249 1008 S C -0.743 173.834 174.600 -0.038 0.000 0.652 1008 S CA -0.912 57.265 58.200 -0.038 0.000 1.024 1008 S CB -0.023 63.192 63.200 0.026 0.000 1.275 1008 S HN 0.284 nan 8.310 nan 0.000 0.563 1009 F N 2.616 122.526 119.950 -0.067 0.000 2.538 1009 F HA 0.152 4.678 4.527 -0.002 0.000 0.371 1009 F C 2.359 178.114 175.800 -0.074 0.000 1.087 1009 F CA 0.735 58.684 58.000 -0.086 0.000 1.250 1009 F CB 0.558 39.471 39.000 -0.145 0.000 1.110 1009 F HN 0.819 nan 8.300 nan 0.000 0.570 1010 T N -0.784 113.877 114.554 0.178 0.000 2.759 1010 T HA -0.114 4.235 4.350 -0.002 0.000 0.269 1010 T C 0.706 175.462 174.700 0.092 0.000 1.042 1010 T CA 0.724 62.903 62.100 0.132 0.000 1.140 1010 T CB -0.571 68.505 68.868 0.348 0.000 0.864 1010 T HN 0.201 nan 8.240 nan 0.000 0.455 1011 V N 4.470 124.415 119.914 0.052 0.000 2.408 1011 V HA 0.206 4.324 4.120 -0.002 0.000 0.267 1011 V C -1.166 174.789 176.094 -0.231 0.000 1.047 1011 V CA -1.574 60.647 62.300 -0.132 0.000 0.937 1011 V CB 1.231 32.840 31.823 -0.357 0.000 0.999 1011 V HN 0.259 nan 8.190 nan 0.000 0.472 1012 P HA -0.153 nan 4.420 nan 0.000 0.217 1012 P C 1.564 178.813 177.300 -0.084 0.000 1.150 1012 P CA 1.118 64.170 63.100 -0.081 0.000 0.832 1012 P CB -0.036 31.658 31.700 -0.011 0.000 0.787 1013 F N -0.735 119.183 119.950 -0.054 0.000 2.494 1013 F HA -0.042 4.484 4.527 -0.002 0.000 0.298 1013 F C 1.490 177.197 175.800 -0.155 0.000 1.106 1013 F CA 0.824 58.774 58.000 -0.084 0.000 1.452 1013 F CB -1.800 37.162 39.000 -0.063 0.000 1.085 1013 F HN -0.190 nan 8.300 nan 0.000 0.569 1014 L N 0.669 121.652 121.223 -0.400 0.000 2.418 1014 L HA 0.008 4.347 4.340 -0.002 0.000 0.218 1014 L C 0.765 177.359 176.870 -0.459 0.000 1.125 1014 L CA 0.267 54.771 54.840 -0.559 0.000 0.835 1014 L CB -0.706 40.623 42.059 -1.217 0.000 0.953 1014 L HN 0.143 nan 8.230 nan 0.000 0.454 1015 N N 2.793 121.367 118.700 -0.210 0.000 3.193 1015 N HA 0.027 4.766 4.740 -0.002 0.000 0.312 1015 N C -0.261 175.149 175.510 -0.166 0.000 1.261 1015 N CA 0.165 53.160 53.050 -0.093 0.000 1.208 1015 N CB 0.155 38.619 38.487 -0.038 0.000 1.471 1015 N HN 0.557 nan 8.380 nan 0.000 0.548 1016 Q N -0.881 118.803 119.800 -0.193 0.000 2.501 1016 Q HA 0.839 5.178 4.340 -0.002 0.000 0.288 1016 Q C -1.823 173.971 176.000 -0.343 0.000 1.051 1016 Q CA -1.289 54.332 55.803 -0.303 0.000 0.788 1016 Q CB 2.317 30.988 28.738 -0.112 0.000 1.469 1016 Q HN 0.077 nan 8.270 nan 0.000 0.416 1017 A N 0.259 122.736 122.820 -0.570 0.000 2.555 1017 A HA 0.791 5.110 4.320 -0.002 0.000 0.297 1017 A C -0.980 176.460 177.584 -0.241 0.000 1.060 1017 A CA -0.102 51.739 52.037 -0.326 0.000 0.710 1017 A CB 1.719 20.370 19.000 -0.582 0.000 1.282 1017 A HN 0.948 nan 8.150 nan 0.000 0.399 1018 G N -0.082 108.838 108.800 0.201 0.000 2.482 1018 G HA2 0.882 4.841 3.960 -0.002 0.000 0.317 1018 G HA3 0.882 4.841 3.960 -0.002 0.000 0.317 1018 G C -0.386 174.693 174.900 0.298 0.000 1.241 1018 G CA 0.085 45.372 45.100 0.313 0.000 0.967 1018 G HN 1.877 nan 8.290 nan 0.000 0.482 1019 A N 0.180 123.140 122.820 0.233 0.000 2.479 1019 A HA 0.877 5.196 4.320 -0.002 0.000 0.296 1019 A C -1.650 175.990 177.584 0.092 0.000 1.121 1019 A CA -0.710 51.433 52.037 0.177 0.000 0.743 1019 A CB 2.124 21.224 19.000 0.166 0.000 1.323 1019 A HN 1.411 nan 8.150 nan 0.000 0.415 1020 L N 1.357 122.588 121.223 0.013 0.000 2.482 1020 L HA 0.608 4.946 4.340 -0.002 0.000 0.269 1020 L C -1.724 175.010 176.870 -0.227 0.000 0.967 1020 L CA -0.172 54.608 54.840 -0.100 0.000 0.851 1020 L CB 1.505 43.496 42.059 -0.114 0.000 1.242 1020 L HN 0.571 nan 8.230 nan 0.000 0.404 1021 I N 4.467 124.899 120.570 -0.230 0.000 2.378 1021 I HA 0.427 4.596 4.170 -0.002 0.000 0.291 1021 I C -0.472 175.466 176.117 -0.298 0.000 0.992 1021 I CA -0.546 60.627 61.300 -0.212 0.000 1.154 1021 I CB 1.436 39.410 38.000 -0.044 0.000 1.315 1021 I HN 0.568 nan 8.210 nan 0.000 0.448 1022 H N 5.018 124.035 119.070 -0.088 0.000 2.492 1022 H HA 0.537 5.093 4.556 -0.001 0.000 0.345 1022 H C -0.621 174.540 175.328 -0.278 0.000 1.136 1022 H CA -0.779 55.115 56.048 -0.256 0.000 1.202 1022 H CB 2.726 32.213 29.762 -0.459 0.000 1.524 1022 H HN 0.191 nan 8.280 nan 0.000 0.506 1023 V N 4.645 124.474 119.914 -0.141 0.000 2.350 1023 V HA 0.174 4.292 4.120 -0.002 0.000 0.285 1023 V C -0.459 175.519 176.094 -0.193 0.000 1.014 1023 V CA -0.718 61.547 62.300 -0.059 0.000 0.831 1023 V CB 0.082 31.950 31.823 0.075 0.000 1.000 1023 V HN 0.589 nan 8.190 nan 0.000 0.433 1024 Y N 1.982 122.320 120.300 0.063 0.000 2.295 1024 Y HA 0.222 4.770 4.550 -0.002 0.000 0.331 1024 Y C 2.053 177.909 175.900 -0.075 0.000 1.311 1024 Y CA 0.123 58.206 58.100 -0.028 0.000 1.430 1024 Y CB 0.743 39.189 38.460 -0.023 0.000 1.339 1024 Y HN 0.696 nan 8.280 nan 0.000 0.552 1025 T N -3.608 110.963 114.554 0.028 0.000 3.113 1025 T HA -0.107 4.242 4.350 -0.002 0.000 0.256 1025 T C 0.753 175.416 174.700 -0.061 0.000 1.131 1025 T CA 0.784 62.816 62.100 -0.113 0.000 1.074 1025 T CB -0.309 68.380 68.868 -0.298 0.000 0.944 1025 T HN 0.737 nan 8.240 nan 0.000 0.516 1026 D N 0.971 121.372 120.400 0.002 0.000 2.340 1026 D HA 0.170 4.808 4.640 -0.002 0.000 0.220 1026 D C 1.675 178.014 176.300 0.066 0.000 1.039 1026 D CA 0.517 54.525 54.000 0.014 0.000 0.866 1026 D CB -0.714 40.094 40.800 0.012 0.000 0.913 1026 D HN 0.535 nan 8.370 nan 0.000 0.523 1027 G N 0.676 109.524 108.800 0.079 0.000 2.184 1027 G HA2 -0.321 3.637 3.960 -0.002 0.000 0.264 1027 G HA3 -0.321 3.637 3.960 -0.002 0.000 0.264 1027 G C 0.439 175.588 174.900 0.415 0.000 0.975 1027 G CA 0.619 45.834 45.100 0.191 0.000 0.642 1027 G HN 0.827 nan 8.290 nan 0.000 0.536 1028 S N -0.869 114.999 115.700 0.280 0.000 2.593 1028 S HA 0.670 5.138 4.470 -0.002 0.000 0.269 1028 S C 0.054 174.854 174.600 0.333 0.000 1.334 1028 S CA -0.036 58.325 58.200 0.269 0.000 1.015 1028 S CB 2.436 65.739 63.200 0.172 0.000 0.912 1028 S HN 1.083 nan 8.310 nan 0.000 0.541 1029 V N 2.615 122.693 119.914 0.274 0.000 2.540 1029 V HA 0.498 4.617 4.120 -0.002 0.000 0.302 1029 V C -0.691 175.549 176.094 0.244 0.000 1.035 1029 V CA -0.776 61.669 62.300 0.241 0.000 0.873 1029 V CB 1.343 33.276 31.823 0.183 0.000 0.992 1029 V HN 0.866 nan 8.190 nan 0.000 0.428 1030 L N 6.508 127.870 121.223 0.233 0.000 2.295 1030 L HA 0.617 4.956 4.340 -0.002 0.000 0.281 1030 L C -0.404 176.513 176.870 0.079 0.000 1.018 1030 L CA 0.083 55.062 54.840 0.231 0.000 0.841 1030 L CB 1.479 43.775 42.059 0.395 0.000 1.218 1030 L HN 0.473 nan 8.230 nan 0.000 0.424 1031 V N 3.641 123.584 119.914 0.049 0.000 2.481 1031 V HA 0.657 4.775 4.120 -0.002 0.000 0.286 1031 V C 0.208 176.283 176.094 -0.032 0.000 1.042 1031 V CA -0.346 61.956 62.300 0.003 0.000 0.928 1031 V CB 1.386 33.225 31.823 0.027 0.000 0.986 1031 V HN 0.811 nan 8.190 nan 0.000 0.462 1032 S N 3.737 119.415 115.700 -0.037 0.000 2.541 1032 S HA 0.739 5.208 4.470 -0.002 0.000 0.280 1032 S C -0.992 173.608 174.600 -0.000 0.000 1.112 1032 S CA -0.638 57.511 58.200 -0.085 0.000 0.925 1032 S CB 1.026 64.170 63.200 -0.093 0.000 1.067 1032 S HN 1.082 nan 8.310 nan 0.000 0.479 1033 H N 0.740 119.751 119.070 -0.099 0.000 2.990 1033 H HA 0.433 4.988 4.556 -0.002 0.000 0.336 1033 H C 0.907 176.100 175.328 -0.225 0.000 1.306 1033 H CA -0.379 55.609 56.048 -0.101 0.000 1.118 1033 H CB 0.975 30.688 29.762 -0.081 0.000 1.856 1033 H HN 0.698 nan 8.280 nan 0.000 0.538 1034 G N 0.081 108.779 108.800 -0.171 0.000 2.470 1034 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.220 1034 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.220 1034 G C 0.803 175.332 174.900 -0.618 0.000 1.121 1034 G CA 0.474 45.420 45.100 -0.256 0.000 0.766 1034 G HN 0.823 nan 8.290 nan 0.000 0.553 1035 G N 0.047 108.125 108.800 -1.203 0.000 2.483 1035 G HA2 0.430 4.389 3.960 -0.002 0.000 0.248 1035 G HA3 0.430 4.389 3.960 -0.002 0.000 0.248 1035 G C 0.219 174.928 174.900 -0.318 0.000 1.248 1035 G CA 0.502 45.210 45.100 -0.654 0.000 0.838 1035 G HN 0.449 nan 8.290 nan 0.000 0.566 1036 T N -1.050 113.391 114.554 -0.188 0.000 2.925 1036 T HA 0.552 4.901 4.350 -0.002 0.000 0.285 1036 T C -0.327 174.213 174.700 -0.266 0.000 1.021 1036 T CA -0.829 61.158 62.100 -0.189 0.000 1.042 1036 T CB 2.237 71.029 68.868 -0.127 0.000 1.037 1036 T HN 0.450 nan 8.240 nan 0.000 0.481 1037 E N 2.410 122.389 120.200 -0.368 0.000 2.130 1037 E HA 0.389 4.738 4.350 -0.002 0.000 0.284 1037 E C 0.354 176.857 176.600 -0.162 0.000 1.018 1037 E CA -0.633 55.548 56.400 -0.365 0.000 0.817 1037 E CB 0.640 30.044 29.700 -0.494 0.000 1.078 1037 E HN 0.765 nan 8.360 nan 0.000 0.396 1038 M N 2.609 122.130 119.600 -0.132 0.000 2.603 1038 M HA 0.485 4.964 4.480 -0.002 0.000 0.380 1038 M C 0.767 177.018 176.300 -0.082 0.000 1.158 1038 M CA 0.094 55.318 55.300 -0.127 0.000 0.921 1038 M CB 0.653 33.119 32.600 -0.223 0.000 1.417 1038 M HN 0.593 nan 8.290 nan 0.000 0.523 1039 G N 1.696 110.513 108.800 0.029 0.000 2.238 1039 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.217 1039 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.217 1039 G C 0.859 175.846 174.900 0.146 0.000 0.996 1039 G CA 0.412 45.577 45.100 0.109 0.000 0.632 1039 G HN 0.639 nan 8.290 nan 0.000 0.503 1040 Q N 1.614 121.446 119.800 0.054 0.000 2.472 1040 Q HA 0.300 4.639 4.340 -0.002 0.000 0.208 1040 Q C 1.622 177.633 176.000 0.018 0.000 0.958 1040 Q CA 1.494 57.323 55.803 0.044 0.000 0.932 1040 Q CB -0.429 28.312 28.738 0.004 0.000 1.007 1040 Q HN 2.004 nan 8.270 nan 0.000 0.508 1041 G N 1.757 110.540 108.800 -0.029 0.000 2.160 1041 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.244 1041 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.244 1041 G C 0.325 175.127 174.900 -0.164 0.000 1.022 1041 G CA 0.406 45.379 45.100 -0.212 0.000 0.741 1041 G HN 0.409 nan 8.290 nan 0.000 0.508 1042 L N 0.117 121.249 121.223 -0.151 0.000 1.976 1042 L HA 0.010 4.349 4.340 -0.002 0.000 0.209 1042 L C 2.623 179.464 176.870 -0.047 0.000 1.071 1042 L CA 2.976 57.755 54.840 -0.103 0.000 0.746 1042 L CB -0.547 41.449 42.059 -0.106 0.000 0.890 1042 L HN 0.397 nan 8.230 nan 0.000 0.432 1043 H N -0.681 118.360 119.070 -0.049 0.000 2.352 1043 H HA -0.129 4.426 4.556 -0.002 0.000 0.299 1043 H C 2.171 177.436 175.328 -0.106 0.000 1.097 1043 H CA 1.897 57.918 56.048 -0.045 0.000 1.311 1043 H CB -1.153 28.555 29.762 -0.090 0.000 1.377 1043 H HN 0.392 nan 8.280 nan 0.000 0.504 1044 T N 1.367 115.880 114.554 -0.068 0.000 2.635 1044 T HA -0.161 4.188 4.350 -0.002 0.000 0.267 1044 T C 2.031 176.704 174.700 -0.044 0.000 1.040 1044 T CA 1.761 63.802 62.100 -0.098 0.000 1.156 1044 T CB -0.052 68.697 68.868 -0.198 0.000 0.863 1044 T HN 0.394 nan 8.240 nan 0.000 0.430 1045 K N 0.256 120.630 120.400 -0.043 0.000 2.097 1045 K HA 0.024 4.343 4.320 -0.002 0.000 0.206 1045 K C 2.354 178.950 176.600 -0.006 0.000 1.049 1045 K CA 1.001 57.278 56.287 -0.017 0.000 0.933 1045 K CB -0.165 32.325 32.500 -0.018 0.000 0.717 1045 K HN 0.206 nan 8.250 nan 0.000 0.442 1046 M N 0.455 120.043 119.600 -0.020 0.000 2.159 1046 M HA -0.109 4.370 4.480 -0.002 0.000 0.263 1046 M C 2.229 178.529 176.300 -0.000 0.000 1.063 1046 M CA 1.245 56.522 55.300 -0.039 0.000 1.110 1046 M CB -0.728 31.804 32.600 -0.114 0.000 1.374 1046 M HN -0.073 nan 8.290 nan 0.000 0.411 1047 V N 0.340 120.257 119.914 0.006 0.000 2.427 1047 V HA -0.252 3.867 4.120 -0.002 0.000 0.248 1047 V C 2.382 178.482 176.094 0.010 0.000 1.051 1047 V CA 1.440 63.743 62.300 0.004 0.000 1.048 1047 V CB -0.550 31.269 31.823 -0.008 0.000 0.666 1047 V HN 0.530 nan 8.190 nan 0.000 0.456 1048 Q N -0.789 119.019 119.800 0.013 0.000 2.079 1048 Q HA -0.148 4.191 4.340 -0.002 0.000 0.200 1048 Q C 2.332 178.366 176.000 0.057 0.000 0.974 1048 Q CA 1.648 57.462 55.803 0.019 0.000 0.840 1048 Q CB -0.317 28.429 28.738 0.013 0.000 0.898 1048 Q HN 0.532 nan 8.270 nan 0.000 0.430 1049 V N 1.313 121.287 119.914 0.101 0.000 2.295 1049 V HA -0.285 3.834 4.120 -0.002 0.000 0.246 1049 V C 2.363 178.555 176.094 0.164 0.000 1.049 1049 V CA 1.891 64.319 62.300 0.212 0.000 1.024 1049 V CB -1.048 30.869 31.823 0.157 0.000 0.648 1049 V HN 0.401 nan 8.190 nan 0.000 0.447 1050 A N -0.342 122.524 122.820 0.078 0.000 1.908 1050 A HA -0.265 4.053 4.320 -0.002 0.000 0.218 1050 A C 2.584 180.172 177.584 0.007 0.000 1.181 1050 A CA 2.431 54.493 52.037 0.041 0.000 0.627 1050 A CB -0.863 18.149 19.000 0.019 0.000 0.818 1050 A HN 0.537 nan 8.150 nan 0.000 0.445 1051 S N -0.815 114.880 115.700 -0.008 0.000 2.402 1051 S HA -0.169 4.300 4.470 -0.002 0.000 0.229 1051 S C 2.078 176.652 174.600 -0.043 0.000 1.021 1051 S CA 1.795 59.963 58.200 -0.054 0.000 0.974 1051 S CB -0.282 62.892 63.200 -0.044 0.000 0.800 1051 S HN 0.593 nan 8.310 nan 0.000 0.484 1052 K N 0.324 120.729 120.400 0.008 0.000 2.076 1052 K HA 0.107 4.426 4.320 -0.002 0.000 0.204 1052 K C 2.317 178.960 176.600 0.071 0.000 1.051 1052 K CA 0.923 57.214 56.287 0.007 0.000 0.949 1052 K CB -0.508 31.964 32.500 -0.046 0.000 0.726 1052 K HN 0.400 nan 8.250 nan 0.000 0.443 1053 A N 1.445 124.356 122.820 0.152 0.000 1.883 1053 A HA -0.136 4.182 4.320 -0.002 0.000 0.217 1053 A C 2.047 179.644 177.584 0.021 0.000 1.186 1053 A CA 1.309 53.422 52.037 0.127 0.000 0.624 1053 A CB -0.582 18.462 19.000 0.074 0.000 0.822 1053 A HN 0.318 nan 8.150 nan 0.000 0.444 1054 L N -1.529 119.680 121.223 -0.025 0.000 2.395 1054 L HA -0.002 4.337 4.340 -0.002 0.000 0.218 1054 L C 0.102 176.911 176.870 -0.101 0.000 1.130 1054 L CA 0.470 55.263 54.840 -0.077 0.000 0.826 1054 L CB -0.204 41.730 42.059 -0.207 0.000 0.941 1054 L HN 0.373 nan 8.230 nan 0.000 0.451 1055 K N 1.411 121.767 120.400 -0.074 0.000 3.372 1055 K HA -0.180 4.139 4.320 -0.002 0.000 0.272 1055 K C -0.532 175.986 176.600 -0.137 0.000 1.037 1055 K CA 0.641 56.897 56.287 -0.052 0.000 0.777 1055 K CB -2.046 30.475 32.500 0.035 0.000 1.347 1055 K HN 0.511 nan 8.250 nan 0.000 0.460 1056 I N -4.805 115.627 120.570 -0.230 0.000 3.102 1056 I HA 0.619 4.788 4.170 -0.002 0.000 0.310 1056 I C -2.804 173.195 176.117 -0.196 0.000 1.246 1056 I CA -3.241 57.876 61.300 -0.306 0.000 0.979 1056 I CB 2.320 39.916 38.000 -0.674 0.000 1.267 1056 I HN -0.283 nan 8.210 nan 0.000 0.451 1057 P HA 0.211 nan 4.420 nan 0.000 0.269 1057 P C 1.065 178.317 177.300 -0.080 0.000 1.209 1057 P CA -0.250 62.794 63.100 -0.092 0.000 0.776 1057 P CB 0.538 32.197 31.700 -0.069 0.000 0.876 1058 I N 0.175 120.719 120.570 -0.044 0.000 2.454 1058 I HA -0.239 3.930 4.170 -0.002 0.000 0.254 1058 I C 1.645 177.764 176.117 0.002 0.000 1.156 1058 I CA 1.964 63.252 61.300 -0.020 0.000 1.433 1058 I CB -0.999 36.998 38.000 -0.006 0.000 1.082 1058 I HN 0.244 nan 8.210 nan 0.000 0.432 1059 S N 1.347 117.046 115.700 -0.002 0.000 2.419 1059 S HA -0.132 4.337 4.470 -0.002 0.000 0.233 1059 S C 1.868 176.483 174.600 0.025 0.000 1.016 1059 S CA 0.900 59.111 58.200 0.017 0.000 0.974 1059 S CB -0.561 62.643 63.200 0.006 0.000 0.786 1059 S HN 0.575 nan 8.310 nan 0.000 0.492 1060 K N 0.346 120.746 120.400 0.000 0.000 2.525 1060 K HA 0.311 4.630 4.320 -0.002 0.000 0.192 1060 K C -0.108 176.529 176.600 0.062 0.000 1.029 1060 K CA 0.275 56.573 56.287 0.017 0.000 1.029 1060 K CB -0.090 32.385 32.500 -0.040 0.000 0.814 1060 K HN 0.470 nan 8.250 nan 0.000 0.503 1061 I N -0.301 120.310 120.570 0.069 0.000 2.603 1061 I HA 0.279 4.447 4.170 -0.002 0.000 0.300 1061 I C -1.005 175.232 176.117 0.200 0.000 1.017 1061 I CA -1.223 60.141 61.300 0.107 0.000 1.098 1061 I CB 1.477 39.503 38.000 0.044 0.000 1.279 1061 I HN -0.161 nan 8.210 nan 0.000 0.437 1062 Y N 5.020 125.334 120.300 0.025 0.000 2.552 1062 Y HA 0.638 5.187 4.550 -0.002 0.000 0.337 1062 Y C -1.485 174.402 175.900 -0.021 0.000 1.094 1062 Y CA -0.848 57.255 58.100 0.005 0.000 1.028 1062 Y CB 1.686 40.157 38.460 0.018 0.000 1.321 1062 Y HN 0.318 nan 8.280 nan 0.000 0.456 1063 I N 3.752 123.958 120.570 -0.608 0.000 2.418 1063 I HA 0.272 4.441 4.170 -0.002 0.000 0.287 1063 I C 0.367 176.007 176.117 -0.795 0.000 1.008 1063 I CA -0.277 60.681 61.300 -0.569 0.000 1.104 1063 I CB 2.116 39.729 38.000 -0.646 0.000 1.264 1063 I HN 0.697 nan 8.210 nan 0.000 0.438 1064 S N 4.958 120.448 115.700 -0.351 0.000 2.371 1064 S HA 0.136 4.605 4.470 -0.002 0.000 0.219 1064 S C 0.312 174.810 174.600 -0.169 0.000 1.040 1064 S CA 0.738 58.859 58.200 -0.131 0.000 0.958 1064 S CB 0.237 63.497 63.200 0.100 0.000 0.860 1064 S HN 0.817 nan 8.310 nan 0.000 0.487 1065 E N -1.454 118.633 120.200 -0.189 0.000 2.435 1065 E HA 0.369 4.718 4.350 -0.002 0.000 0.277 1065 E C -1.650 174.850 176.600 -0.166 0.000 1.106 1065 E CA -0.996 55.331 56.400 -0.122 0.000 0.868 1065 E CB 0.762 30.445 29.700 -0.028 0.000 1.454 1065 E HN -0.052 nan 8.360 nan 0.000 0.452 1066 T N 1.091 115.575 114.554 -0.117 0.000 2.797 1066 T HA 0.673 5.022 4.350 -0.002 0.000 0.279 1066 T C -0.878 173.757 174.700 -0.110 0.000 0.991 1066 T CA -0.395 61.610 62.100 -0.159 0.000 0.979 1066 T CB 1.166 69.938 68.868 -0.161 0.000 0.943 1066 T HN 0.607 nan 8.240 nan 0.000 0.444 1067 S N 0.384 116.021 115.700 -0.105 0.000 2.550 1067 S HA 0.426 4.895 4.470 -0.002 0.000 0.270 1067 S C 0.898 175.456 174.600 -0.069 0.000 1.145 1067 S CA -0.517 57.632 58.200 -0.085 0.000 0.852 1067 S CB 1.333 64.491 63.200 -0.070 0.000 1.119 1067 S HN 0.673 nan 8.310 nan 0.000 0.465 1068 T N -0.696 113.816 114.554 -0.069 0.000 3.085 1068 T HA -0.018 4.331 4.350 -0.002 0.000 0.263 1068 T C 1.251 175.931 174.700 -0.033 0.000 1.127 1068 T CA 1.092 63.161 62.100 -0.051 0.000 1.103 1068 T CB -0.728 68.104 68.868 -0.059 0.000 0.921 1068 T HN 0.739 nan 8.240 nan 0.000 0.510 1069 N N 1.850 120.531 118.700 -0.032 0.000 2.422 1069 N HA -0.048 4.691 4.740 -0.002 0.000 0.181 1069 N C 1.583 177.099 175.510 0.010 0.000 1.080 1069 N CA 1.167 54.210 53.050 -0.012 0.000 0.893 1069 N CB -0.619 37.859 38.487 -0.014 0.000 0.973 1069 N HN 0.622 nan 8.380 nan 0.000 0.456 1070 T N -2.534 112.024 114.554 0.006 0.000 2.953 1070 T HA 0.225 4.574 4.350 -0.002 0.000 0.247 1070 T C 0.571 175.281 174.700 0.018 0.000 1.029 1070 T CA 0.193 62.306 62.100 0.022 0.000 1.144 1070 T CB -0.331 68.543 68.868 0.010 0.000 0.870 1070 T HN -0.096 nan 8.240 nan 0.000 0.446 1071 V N 4.502 124.420 119.914 0.006 0.000 2.443 1071 V HA 0.539 4.658 4.120 -0.002 0.000 0.293 1071 V C -2.534 173.579 176.094 0.031 0.000 1.021 1071 V CA -1.972 60.350 62.300 0.036 0.000 0.848 1071 V CB 1.908 33.763 31.823 0.053 0.000 0.998 1071 V HN 0.378 nan 8.190 nan 0.000 0.424 1072 P HA 0.444 nan 4.420 nan 0.000 0.283 1072 P C -0.415 176.913 177.300 0.047 0.000 1.271 1072 P CA -0.508 62.607 63.100 0.025 0.000 0.841 1072 P CB 0.808 32.516 31.700 0.014 0.000 1.122 1073 N N -1.896 116.817 118.700 0.021 0.000 2.740 1073 N HA -0.127 4.612 4.740 -0.002 0.000 0.248 1073 N C -0.222 175.323 175.510 0.058 0.000 1.062 1073 N CA 0.995 54.060 53.050 0.025 0.000 0.704 1073 N CB -2.349 36.152 38.487 0.023 0.000 0.968 1073 N HN 0.623 nan 8.380 nan 0.000 0.547 1074 S N -1.823 113.910 115.700 0.055 0.000 2.565 1074 S HA 0.524 4.993 4.470 -0.002 0.000 0.274 1074 S C 0.634 175.267 174.600 0.055 0.000 1.309 1074 S CA -0.659 57.600 58.200 0.098 0.000 1.043 1074 S CB 1.898 65.162 63.200 0.107 0.000 0.939 1074 S HN 0.182 nan 8.310 nan 0.000 0.504 1075 S N 4.082 119.810 115.700 0.046 0.000 2.579 1075 S HA 0.303 4.772 4.470 -0.002 0.000 0.275 1075 S C -2.028 172.602 174.600 0.049 0.000 1.345 1075 S CA -0.749 57.415 58.200 -0.060 0.000 1.031 1075 S CB -0.207 62.828 63.200 -0.276 0.000 0.892 1075 S HN 0.716 nan 8.310 nan 0.000 0.529 1076 P HA 0.040 nan 4.420 nan 0.000 0.268 1076 P C -0.659 176.774 177.300 0.221 0.000 1.208 1076 P CA -0.115 63.047 63.100 0.104 0.000 0.777 1076 P CB -0.015 31.743 31.700 0.096 0.000 0.875 1077 T N 1.460 116.105 114.554 0.153 0.000 2.738 1077 T HA 0.530 4.879 4.350 -0.002 0.000 0.294 1077 T C 0.231 175.004 174.700 0.122 0.000 0.914 1077 T CA 0.280 62.485 62.100 0.175 0.000 1.052 1077 T CB -0.269 68.638 68.868 0.065 0.000 0.897 1077 T HN 0.661 nan 8.240 nan 0.000 0.522 1078 A N 2.414 125.311 122.820 0.129 0.000 2.483 1078 A HA 0.797 5.116 4.320 -0.002 0.000 0.294 1078 A C 0.526 177.910 177.584 -0.333 0.000 1.077 1078 A CA -0.249 51.769 52.037 -0.032 0.000 0.633 1078 A CB -0.116 18.914 19.000 0.050 0.000 1.318 1078 A HN 1.677 nan 8.150 nan 0.000 0.455 1079 A N -0.902 121.633 122.820 -0.474 0.000 3.153 1079 A HA 0.059 4.378 4.320 -0.002 0.000 0.265 1079 A C 1.336 178.713 177.584 -0.345 0.000 1.212 1079 A CA 1.925 53.583 52.037 -0.632 0.000 1.018 1079 A CB -2.446 15.658 19.000 -1.492 0.000 1.130 1079 A HN 2.574 nan 8.150 nan 0.000 0.873 1080 S N -4.421 111.151 115.700 -0.212 0.000 3.127 1080 S HA -0.323 4.146 4.470 -0.002 0.000 0.281 1080 S C 1.016 175.557 174.600 -0.099 0.000 1.293 1080 S CA 1.894 60.018 58.200 -0.127 0.000 1.156 1080 S CB -2.337 60.784 63.200 -0.131 0.000 1.389 1080 S HN 2.330 nan 8.310 nan 0.000 0.672 1081 V N -2.067 117.768 119.914 -0.132 0.000 3.444 1081 V HA 0.368 4.487 4.120 -0.002 0.000 0.308 1081 V C 1.493 177.572 176.094 -0.024 0.000 1.371 1081 V CA 0.784 63.042 62.300 -0.070 0.000 1.141 1081 V CB 0.528 32.303 31.823 -0.081 0.000 1.037 1081 V HN 0.337 nan 8.190 nan 0.000 0.433 1082 S N 1.736 117.457 115.700 0.035 0.000 2.355 1082 S HA -0.150 4.319 4.470 -0.002 0.000 0.222 1082 S C 2.015 176.683 174.600 0.113 0.000 1.031 1082 S CA 2.093 60.390 58.200 0.162 0.000 0.993 1082 S CB -0.461 62.924 63.200 0.308 0.000 0.859 1082 S HN 0.764 nan 8.310 nan 0.000 0.453 1083 T N 2.635 117.219 114.554 0.049 0.000 2.699 1083 T HA -0.147 4.202 4.350 -0.002 0.000 0.268 1083 T C 1.337 176.002 174.700 -0.058 0.000 1.036 1083 T CA 1.540 63.641 62.100 0.001 0.000 1.147 1083 T CB -0.539 68.329 68.868 -0.000 0.000 0.862 1083 T HN 0.333 nan 8.240 nan 0.000 0.446 1084 D N 1.284 121.650 120.400 -0.055 0.000 2.084 1084 D HA -0.051 4.588 4.640 -0.002 0.000 0.194 1084 D C 2.251 178.399 176.300 -0.253 0.000 0.990 1084 D CA 1.256 55.195 54.000 -0.101 0.000 0.826 1084 D CB -0.292 40.525 40.800 0.028 0.000 0.971 1084 D HN 0.554 nan 8.370 nan 0.000 0.453 1085 I N -2.669 117.754 120.570 -0.244 0.000 2.494 1085 I HA -0.086 4.083 4.170 -0.002 0.000 0.250 1085 I C 2.130 178.007 176.117 -0.400 0.000 1.112 1085 I CA 0.588 61.692 61.300 -0.326 0.000 1.438 1085 I CB -0.723 37.111 38.000 -0.278 0.000 1.111 1085 I HN -0.120 nan 8.210 nan 0.000 0.431 1086 Y N 2.467 122.703 120.300 -0.106 0.000 2.220 1086 Y HA 0.038 4.587 4.550 -0.002 0.000 0.291 1086 Y C 2.927 178.701 175.900 -0.210 0.000 1.129 1086 Y CA 1.224 59.233 58.100 -0.151 0.000 1.161 1086 Y CB -0.843 37.487 38.460 -0.216 0.000 0.997 1086 Y HN 0.205 nan 8.280 nan 0.000 0.522 1087 G N -0.208 108.532 108.800 -0.100 0.000 2.513 1087 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.219 1087 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.219 1087 G C 1.492 176.284 174.900 -0.180 0.000 1.160 1087 G CA 1.471 46.486 45.100 -0.142 0.000 0.767 1087 G HN 0.299 nan 8.290 nan 0.000 0.571 1088 Q N 0.311 119.920 119.800 -0.319 0.000 2.123 1088 Q HA 0.231 4.569 4.340 -0.002 0.000 0.199 1088 Q C 2.720 178.642 176.000 -0.130 0.000 0.966 1088 Q CA 1.645 57.206 55.803 -0.403 0.000 0.845 1088 Q CB -0.503 27.625 28.738 -1.017 0.000 0.907 1088 Q HN 0.405 nan 8.270 nan 0.000 0.439 1089 A N -0.791 121.985 122.820 -0.074 0.000 1.898 1089 A HA -0.105 4.213 4.320 -0.002 0.000 0.216 1089 A C 2.214 179.849 177.584 0.084 0.000 1.181 1089 A CA 1.519 53.590 52.037 0.056 0.000 0.620 1089 A CB -0.747 18.307 19.000 0.091 0.000 0.819 1089 A HN 0.255 nan 8.150 nan 0.000 0.442 1090 V N -1.378 118.571 119.914 0.058 0.000 2.407 1090 V HA -0.269 3.850 4.120 -0.002 0.000 0.248 1090 V C 2.305 178.437 176.094 0.063 0.000 1.055 1090 V CA 2.019 64.350 62.300 0.052 0.000 1.049 1090 V CB -1.008 30.826 31.823 0.018 0.000 0.662 1090 V HN 0.707 nan 8.190 nan 0.000 0.455 1091 Y N 1.306 121.567 120.300 -0.065 0.000 2.128 1091 Y HA -0.259 4.290 4.550 -0.002 0.000 0.284 1091 Y C 2.639 178.529 175.900 -0.016 0.000 1.154 1091 Y CA 2.135 60.195 58.100 -0.066 0.000 1.149 1091 Y CB -0.066 38.296 38.460 -0.164 0.000 0.976 1091 Y HN 0.214 nan 8.280 nan 0.000 0.505 1092 E N 0.305 120.581 120.200 0.127 0.000 2.077 1092 E HA -0.202 4.147 4.350 -0.002 0.000 0.193 1092 E C 2.398 179.000 176.600 0.003 0.000 0.989 1092 E CA 1.151 57.594 56.400 0.072 0.000 0.800 1092 E CB -0.846 28.947 29.700 0.155 0.000 0.746 1092 E HN 0.588 nan 8.360 nan 0.000 0.452 1093 A N 0.783 123.620 122.820 0.027 0.000 1.858 1093 A HA -0.213 4.106 4.320 -0.002 0.000 0.216 1093 A C 2.692 180.272 177.584 -0.008 0.000 1.190 1093 A CA 1.599 53.650 52.037 0.024 0.000 0.617 1093 A CB -1.108 17.912 19.000 0.034 0.000 0.827 1093 A HN 0.368 nan 8.150 nan 0.000 0.443 1094 C N -1.053 118.222 119.300 -0.042 0.000 2.393 1094 C HA -0.171 4.288 4.460 -0.002 0.000 0.276 1094 C C 2.935 177.871 174.990 -0.091 0.000 1.215 1094 C CA 1.395 60.379 59.018 -0.057 0.000 1.743 1094 C CB -1.237 26.442 27.740 -0.103 0.000 2.044 1094 C HN 0.621 nan 8.230 nan 0.000 0.464 1095 Q N 0.310 119.982 119.800 -0.214 0.000 2.077 1095 Q HA -0.168 4.171 4.340 -0.002 0.000 0.206 1095 Q C 2.227 178.195 176.000 -0.054 0.000 0.989 1095 Q CA 2.388 58.083 55.803 -0.180 0.000 0.853 1095 Q CB -1.353 27.248 28.738 -0.227 0.000 0.907 1095 Q HN 0.692 nan 8.270 nan 0.000 0.418 1096 T N 1.225 115.765 114.554 -0.024 0.000 2.759 1096 T HA -0.094 4.255 4.350 -0.002 0.000 0.269 1096 T C 1.997 176.716 174.700 0.032 0.000 1.042 1096 T CA 1.030 63.137 62.100 0.012 0.000 1.140 1096 T CB -0.226 68.657 68.868 0.025 0.000 0.864 1096 T HN 0.190 nan 8.240 nan 0.000 0.455 1097 I N 0.543 121.140 120.570 0.045 0.000 2.226 1097 I HA -0.123 4.045 4.170 -0.002 0.000 0.245 1097 I C 2.221 178.398 176.117 0.100 0.000 1.100 1097 I CA 1.115 62.466 61.300 0.086 0.000 1.374 1097 I CB -0.262 37.816 38.000 0.130 0.000 1.057 1097 I HN 0.210 nan 8.210 nan 0.000 0.413 1098 L N 0.209 121.484 121.223 0.087 0.000 2.046 1098 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 1098 L C 2.649 179.538 176.870 0.032 0.000 1.077 1098 L CA 1.158 56.044 54.840 0.077 0.000 0.747 1098 L CB -0.720 41.366 42.059 0.045 0.000 0.896 1098 L HN 0.198 nan 8.230 nan 0.000 0.432 1099 K N 0.440 120.850 120.400 0.016 0.000 2.009 1099 K HA -0.188 4.131 4.320 -0.002 0.000 0.210 1099 K C 2.124 178.732 176.600 0.014 0.000 1.049 1099 K CA 1.486 57.775 56.287 0.003 0.000 0.929 1099 K CB -0.500 32.003 32.500 0.004 0.000 0.714 1099 K HN 0.333 nan 8.250 nan 0.000 0.440 1100 R N 0.614 121.142 120.500 0.046 0.000 2.105 1100 R HA -0.031 4.308 4.340 -0.002 0.000 0.239 1100 R C 2.415 178.810 176.300 0.159 0.000 1.135 1100 R CA 1.040 57.193 56.100 0.088 0.000 0.967 1100 R CB -0.301 30.053 30.300 0.089 0.000 0.861 1100 R HN 0.154 nan 8.270 nan 0.000 0.442 1101 L N 0.185 121.485 121.223 0.129 0.000 2.492 1101 L HA -0.035 4.304 4.340 -0.002 0.000 0.223 1101 L C 2.167 179.071 176.870 0.056 0.000 1.132 1101 L CA 0.169 55.123 54.840 0.190 0.000 0.850 1101 L CB -0.176 41.936 42.059 0.088 0.000 0.966 1101 L HN 0.091 nan 8.230 nan 0.000 0.454 1102 E N 1.375 121.545 120.200 -0.050 0.000 2.086 1102 E HA -0.223 4.126 4.350 -0.002 0.000 0.205 1102 E C -0.577 175.877 176.600 -0.243 0.000 1.027 1102 E CA 2.102 58.410 56.400 -0.154 0.000 0.830 1102 E CB -1.209 28.423 29.700 -0.115 0.000 0.751 1102 E HN 0.234 nan 8.360 nan 0.000 0.456 1103 P HA -0.144 nan 4.420 nan 0.000 0.216 1103 P C 1.122 178.121 177.300 -0.501 0.000 1.153 1103 P CA 1.553 64.351 63.100 -0.503 0.000 0.858 1103 P CB -0.228 30.991 31.700 -0.801 0.000 0.789 1104 F N -0.405 119.464 119.950 -0.136 0.000 2.259 1104 F HA 0.003 4.530 4.527 -0.001 0.000 0.298 1104 F C 2.414 178.059 175.800 -0.259 0.000 1.088 1104 F CA 0.937 58.876 58.000 -0.102 0.000 1.358 1104 F CB -0.764 38.225 39.000 -0.018 0.000 1.040 1104 F HN -0.194 nan 8.300 nan 0.000 0.505 1105 K N 1.049 121.170 120.400 -0.465 0.000 2.009 1105 K HA -0.210 4.109 4.320 -0.002 0.000 0.210 1105 K C 2.070 178.448 176.600 -0.371 0.000 1.049 1105 K CA 1.618 57.337 56.287 -0.945 0.000 0.929 1105 K CB -0.151 31.758 32.500 -0.985 0.000 0.714 1105 K HN 0.175 nan 8.250 nan 0.000 0.440 1106 K N 0.712 120.962 120.400 -0.250 0.000 2.009 1106 K HA -0.177 4.142 4.320 -0.002 0.000 0.210 1106 K C 2.066 178.630 176.600 -0.060 0.000 1.049 1106 K CA 1.701 57.909 56.287 -0.132 0.000 0.929 1106 K CB -0.071 32.349 32.500 -0.134 0.000 0.714 1106 K HN 0.094 nan 8.250 nan 0.000 0.440 1107 K N 0.249 120.615 120.400 -0.057 0.000 2.160 1107 K HA -0.156 4.163 4.320 -0.002 0.000 0.206 1107 K C 0.798 177.450 176.600 0.087 0.000 1.047 1107 K CA 1.055 57.351 56.287 0.014 0.000 0.930 1107 K CB -0.089 32.431 32.500 0.034 0.000 0.720 1107 K HN 0.029 nan 8.250 nan 0.000 0.450 1108 N N -0.484 118.304 118.700 0.146 0.000 2.723 1108 N HA 0.156 4.895 4.740 -0.002 0.000 0.290 1108 N C -2.478 173.245 175.510 0.356 0.000 1.882 1108 N CA -1.814 51.392 53.050 0.260 0.000 0.851 1108 N CB 1.009 39.712 38.487 0.360 0.000 1.234 1108 N HN -0.213 nan 8.380 nan 0.000 0.491 1109 P HA -0.064 nan 4.420 nan 0.000 0.218 1109 P C 0.396 177.887 177.300 0.318 0.000 1.148 1109 P CA 1.165 64.398 63.100 0.221 0.000 0.822 1109 P CB 0.381 32.149 31.700 0.113 0.000 0.784 1110 D N -1.235 119.309 120.400 0.240 0.000 2.350 1110 D HA 0.067 4.706 4.640 -0.002 0.000 0.213 1110 D C 1.308 177.689 176.300 0.135 0.000 1.031 1110 D CA 0.320 54.425 54.000 0.174 0.000 0.861 1110 D CB 0.066 40.929 40.800 0.105 0.000 0.926 1110 D HN 0.103 nan 8.370 nan 0.000 0.520 1111 G N 0.771 109.677 108.800 0.176 0.000 2.634 1111 G HA2 0.254 4.213 3.960 -0.002 0.000 0.255 1111 G HA3 0.254 4.213 3.960 -0.002 0.000 0.255 1111 G C 0.376 175.041 174.900 -0.390 0.000 1.205 1111 G CA -0.275 44.800 45.100 -0.041 0.000 0.884 1111 G HN 0.133 nan 8.290 nan 0.000 0.549 1112 S N -0.311 115.083 115.700 -0.510 0.000 2.632 1112 S HA 0.100 4.569 4.470 -0.002 0.000 0.267 1112 S C 1.168 175.121 174.600 -1.079 0.000 1.276 1112 S CA -0.457 57.375 58.200 -0.613 0.000 0.998 1112 S CB 1.009 64.047 63.200 -0.271 0.000 0.953 1112 S HN 0.805 nan 8.310 nan 0.000 0.547 1113 W N 1.613 122.374 121.300 -0.899 0.000 2.304 1113 W HA -0.244 4.415 4.660 -0.002 0.000 0.315 1113 W C 1.145 177.502 176.519 -0.270 0.000 1.233 1113 W CA 2.354 59.397 57.345 -0.503 0.000 1.261 1113 W CB -0.560 28.807 29.460 -0.156 0.000 1.150 1113 W HN 0.845 nan 8.180 nan 0.000 0.494 1114 E N 0.712 120.793 120.200 -0.198 0.000 2.160 1114 E HA -0.211 4.138 4.350 -0.002 0.000 0.195 1114 E C 1.658 178.115 176.600 -0.237 0.000 0.991 1114 E CA 2.002 58.284 56.400 -0.197 0.000 0.810 1114 E CB -0.636 29.024 29.700 -0.067 0.000 0.742 1114 E HN 0.265 nan 8.360 nan 0.000 0.466 1115 D N -0.624 119.599 120.400 -0.294 0.000 2.097 1115 D HA -0.138 4.501 4.640 -0.002 0.000 0.197 1115 D C 1.675 177.915 176.300 -0.099 0.000 0.984 1115 D CA 0.757 54.636 54.000 -0.201 0.000 0.826 1115 D CB -0.285 40.388 40.800 -0.212 0.000 0.973 1115 D HN 0.270 nan 8.370 nan 0.000 0.460 1116 W N 1.447 122.667 121.300 -0.133 0.000 2.354 1116 W HA -0.093 4.566 4.660 -0.002 0.000 0.315 1116 W C 2.444 178.754 176.519 -0.347 0.000 1.206 1116 W CA 0.060 57.305 57.345 -0.168 0.000 1.290 1116 W CB -1.469 27.921 29.460 -0.117 0.000 1.152 1116 W HN -0.147 nan 8.180 nan 0.000 0.489 1117 V N 0.939 120.680 119.914 -0.289 0.000 2.252 1117 V HA -0.372 3.747 4.120 -0.002 0.000 0.249 1117 V C 2.331 178.289 176.094 -0.227 0.000 1.056 1117 V CA 2.691 64.761 62.300 -0.384 0.000 1.022 1117 V CB -1.039 30.457 31.823 -0.545 0.000 0.641 1117 V HN 0.086 nan 8.190 nan 0.000 0.445 1118 M N 0.526 120.027 119.600 -0.166 0.000 2.117 1118 M HA -0.044 4.434 4.480 -0.002 0.000 0.262 1118 M C 2.026 178.273 176.300 -0.088 0.000 1.065 1118 M CA 2.141 57.398 55.300 -0.073 0.000 1.114 1118 M CB -0.836 31.733 32.600 -0.051 0.000 1.361 1118 M HN 0.264 nan 8.290 nan 0.000 0.408 1119 A N -0.391 122.335 122.820 -0.157 0.000 1.933 1119 A HA 0.069 4.387 4.320 -0.002 0.000 0.218 1119 A C 2.351 179.575 177.584 -0.600 0.000 1.175 1119 A CA 1.940 53.838 52.037 -0.233 0.000 0.628 1119 A CB -1.345 17.599 19.000 -0.093 0.000 0.814 1119 A HN 0.627 nan 8.150 nan 0.000 0.444 1120 A N -1.371 120.937 122.820 -0.853 0.000 1.898 1120 A HA -0.078 4.241 4.320 -0.002 0.000 0.216 1120 A C 2.141 179.492 177.584 -0.389 0.000 1.181 1120 A CA 1.621 53.042 52.037 -1.027 0.000 0.620 1120 A CB -0.814 17.763 19.000 -0.705 0.000 0.819 1120 A HN 0.752 nan 8.150 nan 0.000 0.442 1121 Y N 0.812 120.930 120.300 -0.304 0.000 2.145 1121 Y HA -0.233 4.315 4.550 -0.003 0.000 0.286 1121 Y C 2.476 178.295 175.900 -0.136 0.000 1.145 1121 Y CA 2.181 60.178 58.100 -0.172 0.000 1.148 1121 Y CB -0.278 38.106 38.460 -0.127 0.000 0.981 1121 Y HN 0.356 nan 8.280 nan 0.000 0.507 1122 Q N -0.321 119.313 119.800 -0.277 0.000 2.181 1122 Q HA -0.226 4.113 4.340 -0.002 0.000 0.205 1122 Q C 1.307 177.160 176.000 -0.246 0.000 0.980 1122 Q CA 1.917 57.545 55.803 -0.293 0.000 0.862 1122 Q CB -0.501 28.162 28.738 -0.124 0.000 0.905 1122 Q HN 0.576 nan 8.270 nan 0.000 0.429 1123 D N -0.221 120.057 120.400 -0.204 0.000 2.339 1123 D HA 0.047 4.686 4.640 -0.002 0.000 0.217 1123 D C -0.450 175.811 176.300 -0.065 0.000 1.050 1123 D CA -0.093 53.865 54.000 -0.070 0.000 0.856 1123 D CB 0.172 41.035 40.800 0.106 0.000 0.922 1123 D HN 0.068 nan 8.370 nan 0.000 0.518 1124 R N -0.771 119.631 120.500 -0.163 0.000 3.261 1124 R HA -0.125 4.214 4.340 -0.002 0.000 0.257 1124 R C -1.040 175.243 176.300 -0.028 0.000 1.014 1124 R CA -0.031 55.997 56.100 -0.120 0.000 0.681 1124 R CB -2.266 27.973 30.300 -0.101 0.000 1.155 1124 R HN 0.039 nan 8.270 nan 0.000 0.424 1125 V N 0.891 120.795 119.914 -0.016 0.000 2.427 1125 V HA 0.208 4.327 4.120 -0.002 0.000 0.286 1125 V C 0.920 177.032 176.094 0.030 0.000 1.034 1125 V CA -0.313 62.009 62.300 0.037 0.000 0.893 1125 V CB 1.877 33.764 31.823 0.106 0.000 0.982 1125 V HN 0.403 nan 8.190 nan 0.000 0.452 1126 S N 4.520 120.244 115.700 0.041 0.000 2.546 1126 S HA 0.183 4.652 4.470 -0.002 0.000 0.290 1126 S C 0.290 174.912 174.600 0.036 0.000 1.290 1126 S CA -0.039 58.187 58.200 0.042 0.000 1.069 1126 S CB -0.027 63.198 63.200 0.041 0.000 0.846 1126 S HN 0.580 nan 8.310 nan 0.000 0.495 1127 L N 4.336 125.575 121.223 0.026 0.000 3.141 1127 L HA 0.352 4.691 4.340 -0.002 0.000 0.267 1127 L C 0.236 177.122 176.870 0.027 0.000 1.281 1127 L CA -0.180 54.665 54.840 0.008 0.000 1.037 1127 L CB 0.569 42.608 42.059 -0.033 0.000 1.407 1127 L HN 0.567 nan 8.230 nan 0.000 0.566 1128 S N -0.543 115.195 115.700 0.063 0.000 2.571 1128 S HA 0.737 5.206 4.470 -0.002 0.000 0.284 1128 S C -0.716 173.936 174.600 0.086 0.000 1.128 1128 S CA -0.307 57.976 58.200 0.137 0.000 0.970 1128 S CB 2.001 65.326 63.200 0.209 0.000 1.039 1128 S HN 0.077 nan 8.310 nan 0.000 0.485 1129 T N 2.185 116.771 114.554 0.054 0.000 2.942 1129 T HA 0.584 4.933 4.350 -0.002 0.000 0.327 1129 T C -0.276 174.437 174.700 0.022 0.000 1.360 1129 T CA -0.191 61.934 62.100 0.040 0.000 1.055 1129 T CB 1.307 70.198 68.868 0.040 0.000 1.261 1129 T HN 0.937 nan 8.240 nan 0.000 0.485 1130 T N 0.973 115.552 114.554 0.041 0.000 2.788 1130 T HA 0.784 5.132 4.350 -0.002 0.000 0.280 1130 T C 0.565 175.319 174.700 0.090 0.000 0.984 1130 T CA -0.176 61.961 62.100 0.061 0.000 0.972 1130 T CB 1.091 70.001 68.868 0.070 0.000 1.039 1130 T HN 1.055 nan 8.240 nan 0.000 0.530 1131 G N -0.509 108.377 108.800 0.144 0.000 2.718 1131 G HA2 0.604 4.562 3.960 -0.002 0.000 0.295 1131 G HA3 0.604 4.562 3.960 -0.002 0.000 0.295 1131 G C -2.173 172.909 174.900 0.303 0.000 1.421 1131 G CA -0.813 44.395 45.100 0.179 0.000 0.902 1131 G HN 0.724 nan 8.290 nan 0.000 0.501 1132 F N 0.411 120.423 119.950 0.104 0.000 2.654 1132 F HA 0.756 5.282 4.527 -0.002 0.000 0.308 1132 F C -1.909 174.000 175.800 0.180 0.000 1.108 1132 F CA -1.028 57.041 58.000 0.116 0.000 0.957 1132 F CB 2.376 41.417 39.000 0.069 0.000 1.309 1132 F HN 0.620 nan 8.300 nan 0.000 0.446 1133 Y N 4.123 124.027 120.300 -0.661 0.000 2.513 1133 Y HA 0.659 5.208 4.550 -0.002 0.000 0.340 1133 Y C -1.552 174.031 175.900 -0.529 0.000 1.055 1133 Y CA -1.014 56.846 58.100 -0.399 0.000 1.020 1133 Y CB 1.605 39.892 38.460 -0.287 0.000 1.301 1133 Y HN 0.658 nan 8.280 nan 0.000 0.453 1134 R N 3.309 123.166 120.500 -1.072 0.000 2.502 1134 R HA 0.376 4.715 4.340 -0.002 0.000 0.300 1134 R C -1.273 174.392 176.300 -1.057 0.000 0.984 1134 R CA -0.635 55.030 56.100 -0.725 0.000 0.882 1134 R CB 1.792 31.918 30.300 -0.291 0.000 1.180 1134 R HN 0.831 nan 8.270 nan 0.000 0.444 1135 T N 6.509 120.628 114.554 -0.725 0.000 2.769 1135 T HA 0.149 4.498 4.350 -0.002 0.000 0.293 1135 T C -2.007 172.467 174.700 -0.376 0.000 0.931 1135 T CA -0.791 60.966 62.100 -0.572 0.000 1.139 1135 T CB 0.669 69.323 68.868 -0.356 0.000 0.881 1135 T HN 0.365 nan 8.240 nan 0.000 0.532 1136 P HA 0.170 nan 4.420 nan 0.000 0.274 1136 P C -0.124 177.137 177.300 -0.065 0.000 1.231 1136 P CA -0.461 62.554 63.100 -0.141 0.000 0.790 1136 P CB 0.433 32.101 31.700 -0.054 0.000 0.951 1137 N N -0.583 118.101 118.700 -0.027 0.000 2.725 1137 N HA -0.159 4.579 4.740 -0.002 0.000 0.251 1137 N C -0.558 174.953 175.510 0.002 0.000 1.031 1137 N CA 0.797 53.851 53.050 0.007 0.000 0.720 1137 N CB -1.817 36.699 38.487 0.047 0.000 0.930 1137 N HN 0.465 nan 8.380 nan 0.000 0.543 1138 L N -0.603 120.604 121.223 -0.028 0.000 2.322 1138 L HA 0.775 5.114 4.340 -0.002 0.000 0.269 1138 L C 1.033 177.887 176.870 -0.027 0.000 1.012 1138 L CA -0.529 54.286 54.840 -0.042 0.000 0.815 1138 L CB 1.945 43.961 42.059 -0.070 0.000 1.295 1138 L HN 0.290 nan 8.230 nan 0.000 0.438 1139 G N 1.071 109.854 108.800 -0.028 0.000 2.243 1139 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.231 1139 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.231 1139 G C -1.320 173.598 174.900 0.029 0.000 2.559 1139 G CA -0.845 44.259 45.100 0.006 0.000 1.110 1139 G HN 0.401 nan 8.290 nan 0.000 0.618 1140 Y N 1.681 121.925 120.300 -0.094 0.000 2.379 1140 Y HA 0.659 5.208 4.550 -0.002 0.000 0.337 1140 Y C 0.506 176.419 175.900 0.022 0.000 1.238 1140 Y CA 0.427 58.478 58.100 -0.081 0.000 1.405 1140 Y CB 1.669 40.019 38.460 -0.183 0.000 1.310 1140 Y HN 0.484 nan 8.280 nan 0.000 0.569 1141 S N 4.797 119.983 115.700 -0.858 0.000 2.502 1141 S HA 0.361 4.830 4.470 -0.002 0.000 0.304 1141 S C 0.157 174.293 174.600 -0.774 0.000 1.097 1141 S CA -0.687 57.205 58.200 -0.512 0.000 1.045 1141 S CB 0.222 63.252 63.200 -0.284 0.000 1.019 1141 S HN 0.676 nan 8.310 nan 0.000 0.481 1142 F N 2.467 122.253 119.950 -0.273 0.000 2.293 1142 F HA 0.101 4.627 4.527 -0.002 0.000 0.297 1142 F C 1.398 177.163 175.800 -0.059 0.000 1.089 1142 F CA 0.427 58.393 58.000 -0.058 0.000 1.377 1142 F CB -0.058 38.990 39.000 0.080 0.000 1.051 1142 F HN 0.628 nan 8.300 nan 0.000 0.511 1143 E N -0.416 119.835 120.200 0.086 0.000 2.366 1143 E HA 0.323 4.672 4.350 -0.002 0.000 0.266 1143 E C 1.010 177.571 176.600 -0.064 0.000 1.051 1143 E CA 0.564 56.977 56.400 0.022 0.000 0.884 1143 E CB 0.979 30.695 29.700 0.027 0.000 1.006 1143 E HN 0.254 nan 8.360 nan 0.000 0.417 1144 T N 0.941 115.464 114.554 -0.051 0.000 11.666 1144 T HA -0.404 3.945 4.350 -0.002 0.000 0.399 1144 T C 0.782 175.421 174.700 -0.101 0.000 1.591 1144 T CA 1.182 63.237 62.100 -0.074 0.000 2.578 1144 T CB -2.052 66.763 68.868 -0.088 0.000 2.705 1144 T HN 1.182 nan 8.240 nan 0.000 0.852 1145 N N 1.294 119.869 118.700 -0.209 0.000 2.727 1145 N HA -0.145 4.594 4.740 -0.002 0.000 0.251 1145 N C -0.328 175.160 175.510 -0.038 0.000 1.040 1145 N CA 2.301 55.263 53.050 -0.147 0.000 0.712 1145 N CB -1.384 37.145 38.487 0.069 0.000 0.912 1145 N HN 2.052 nan 8.380 nan 0.000 0.545 1146 S N -1.263 114.295 115.700 -0.237 0.000 2.643 1146 S HA 0.866 5.334 4.470 -0.002 0.000 0.270 1146 S C 0.116 174.693 174.600 -0.038 0.000 1.166 1146 S CA 0.212 58.398 58.200 -0.022 0.000 0.815 1146 S CB 1.522 64.707 63.200 -0.024 0.000 1.139 1146 S HN 1.690 nan 8.310 nan 0.000 0.472 1147 G N 1.250 110.083 108.800 0.054 0.000 2.719 1147 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.686 1147 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.686 1147 G C -1.116 173.856 174.900 0.120 0.000 1.201 1147 G CA -0.864 44.270 45.100 0.056 0.000 0.768 1147 G HN 0.952 nan 8.290 nan 0.000 0.629 1148 N N 0.554 119.283 118.700 0.049 0.000 2.483 1148 N HA 0.332 5.071 4.740 -0.002 0.000 0.264 1148 N C 1.265 176.665 175.510 -0.183 0.000 1.197 1148 N CA 0.570 53.615 53.050 -0.008 0.000 0.927 1148 N CB 1.557 40.051 38.487 0.013 0.000 1.065 1148 N HN 1.042 nan 8.380 nan 0.000 0.461 1149 A N 2.839 125.352 122.820 -0.512 0.000 1.984 1149 A HA 0.196 4.515 4.320 -0.002 0.000 0.214 1149 A C 0.173 177.026 177.584 -1.218 0.000 1.173 1149 A CA 0.664 51.999 52.037 -1.171 0.000 0.673 1149 A CB 0.137 17.633 19.000 -2.506 0.000 0.830 1149 A HN 0.583 nan 8.150 nan 0.000 0.453 1150 F N -3.833 115.884 119.950 -0.388 0.000 2.611 1150 F HA 0.508 5.034 4.527 -0.002 0.000 0.324 1150 F C 1.040 176.702 175.800 -0.230 0.000 1.061 1150 F CA -0.773 56.971 58.000 -0.426 0.000 0.954 1150 F CB 0.970 39.497 39.000 -0.789 0.000 1.301 1150 F HN 0.078 nan 8.300 nan 0.000 0.482 1151 H N 0.003 118.994 119.070 -0.132 0.000 2.431 1151 H HA 0.143 4.698 4.556 -0.002 0.000 0.295 1151 H C -0.989 174.389 175.328 0.083 0.000 1.038 1151 H CA 1.138 57.180 56.048 -0.010 0.000 1.360 1151 H CB 0.279 30.076 29.762 0.057 0.000 1.433 1151 H HN 0.515 nan 8.280 nan 0.000 0.536 1152 Y N -3.830 116.359 120.300 -0.185 0.000 2.779 1152 Y HA 0.425 4.974 4.550 -0.002 0.000 0.340 1152 Y C -1.978 173.651 175.900 -0.452 0.000 1.252 1152 Y CA -2.094 55.878 58.100 -0.213 0.000 1.072 1152 Y CB 0.356 38.726 38.460 -0.151 0.000 1.343 1152 Y HN -0.202 nan 8.280 nan 0.000 0.450 1153 F N 0.603 120.530 119.950 -0.039 0.000 2.480 1153 F HA 0.695 5.221 4.527 -0.002 0.000 0.329 1153 F C 0.175 175.707 175.800 -0.447 0.000 1.091 1153 F CA -0.829 56.930 58.000 -0.402 0.000 0.972 1153 F CB 2.426 41.066 39.000 -0.600 0.000 1.150 1153 F HN 0.515 nan 8.300 nan 0.000 0.467 1154 T N 2.054 116.486 114.554 -0.203 0.000 2.882 1154 T HA 0.489 4.838 4.350 -0.002 0.000 0.287 1154 T C -1.145 173.397 174.700 -0.263 0.000 0.992 1154 T CA -0.300 61.738 62.100 -0.104 0.000 1.076 1154 T CB 0.453 69.344 68.868 0.038 0.000 0.961 1154 T HN 0.323 nan 8.240 nan 0.000 0.490 1155 Y N -0.080 120.306 120.300 0.144 0.000 2.545 1155 Y HA 0.698 5.247 4.550 -0.002 0.000 0.348 1155 Y C 0.611 176.555 175.900 0.074 0.000 1.002 1155 Y CA -0.897 57.253 58.100 0.083 0.000 1.039 1155 Y CB 2.677 41.115 38.460 -0.037 0.000 1.271 1155 Y HN 0.931 nan 8.280 nan 0.000 0.467 1156 G N 0.123 109.076 108.800 0.255 0.000 2.600 1156 G HA2 0.622 4.580 3.960 -0.002 0.000 0.293 1156 G HA3 0.622 4.580 3.960 -0.002 0.000 0.293 1156 G C -2.355 172.660 174.900 0.191 0.000 1.408 1156 G CA -0.744 44.467 45.100 0.185 0.000 0.782 1156 G HN 0.481 nan 8.290 nan 0.000 0.482 1157 V N -0.433 119.574 119.914 0.155 0.000 2.851 1157 V HA 0.827 4.946 4.120 -0.002 0.000 0.307 1157 V C -0.222 175.923 176.094 0.087 0.000 1.129 1157 V CA -0.215 62.183 62.300 0.165 0.000 0.932 1157 V CB 1.659 33.596 31.823 0.190 0.000 1.024 1157 V HN 1.698 nan 8.190 nan 0.000 0.426 1158 A N 2.628 125.496 122.820 0.081 0.000 2.414 1158 A HA 0.845 5.164 4.320 -0.002 0.000 0.306 1158 A C -0.944 176.644 177.584 0.006 0.000 1.054 1158 A CA -0.486 51.573 52.037 0.037 0.000 0.724 1158 A CB 1.785 20.847 19.000 0.104 0.000 1.267 1158 A HN 1.181 nan 8.150 nan 0.000 0.418 1159 C N 1.523 120.809 119.300 -0.024 0.000 2.441 1159 C HA 0.878 5.337 4.460 -0.002 0.000 0.318 1159 C C -0.248 174.755 174.990 0.021 0.000 1.222 1159 C CA -0.060 58.950 59.018 -0.013 0.000 1.474 1159 C CB 0.421 28.130 27.740 -0.051 0.000 2.125 1159 C HN 0.871 nan 8.230 nan 0.000 0.479 1160 S N 3.364 119.098 115.700 0.055 0.000 2.541 1160 S HA 0.559 5.028 4.470 -0.002 0.000 0.280 1160 S C -1.441 173.177 174.600 0.031 0.000 1.112 1160 S CA -0.452 57.782 58.200 0.057 0.000 0.925 1160 S CB 1.653 64.927 63.200 0.123 0.000 1.067 1160 S HN 0.882 nan 8.310 nan 0.000 0.479 1161 E N 2.180 122.381 120.200 0.000 0.000 2.199 1161 E HA 0.639 4.988 4.350 -0.002 0.000 0.265 1161 E C -0.971 175.609 176.600 -0.032 0.000 0.882 1161 E CA -0.789 55.590 56.400 -0.035 0.000 0.759 1161 E CB 1.304 30.960 29.700 -0.073 0.000 1.148 1161 E HN 0.492 nan 8.360 nan 0.000 0.412 1162 V N 0.843 120.734 119.914 -0.039 0.000 3.113 1162 V HA 0.692 4.811 4.120 -0.002 0.000 0.316 1162 V C -0.788 175.268 176.094 -0.063 0.000 1.125 1162 V CA -0.825 61.467 62.300 -0.013 0.000 1.026 1162 V CB 1.792 33.625 31.823 0.017 0.000 1.080 1162 V HN 0.838 nan 8.190 nan 0.000 0.444 1163 E N 1.776 121.957 120.200 -0.032 0.000 2.246 1163 E HA 0.616 4.965 4.350 -0.002 0.000 0.266 1163 E C -0.976 175.648 176.600 0.040 0.000 0.880 1163 E CA -0.904 55.459 56.400 -0.063 0.000 0.762 1163 E CB 2.016 31.632 29.700 -0.140 0.000 1.180 1163 E HN 0.970 nan 8.360 nan 0.000 0.416 1164 I N 0.747 121.349 120.570 0.053 0.000 2.577 1164 I HA 0.560 4.729 4.170 -0.002 0.000 0.305 1164 I C -0.499 175.682 176.117 0.107 0.000 0.986 1164 I CA -0.772 60.581 61.300 0.088 0.000 1.189 1164 I CB 1.642 39.667 38.000 0.041 0.000 1.355 1164 I HN 0.376 nan 8.210 nan 0.000 0.476 1165 D N 4.676 125.137 120.400 0.101 0.000 2.392 1165 D HA 0.281 4.919 4.640 -0.002 0.000 0.228 1165 D C 0.279 176.644 176.300 0.107 0.000 1.074 1165 D CA -0.566 53.498 54.000 0.107 0.000 0.838 1165 D CB 1.606 42.448 40.800 0.069 0.000 1.067 1165 D HN 0.758 nan 8.370 nan 0.000 0.511 1166 C N 3.512 122.910 119.300 0.164 0.000 2.511 1166 C HA 0.098 4.557 4.460 -0.002 0.000 0.277 1166 C C 2.324 177.413 174.990 0.164 0.000 1.451 1166 C CA -0.135 58.991 59.018 0.180 0.000 1.735 1166 C CB -1.157 26.751 27.740 0.280 0.000 1.704 1166 C HN 0.635 nan 8.230 nan 0.000 0.571 1167 L N 0.709 121.986 121.223 0.090 0.000 2.513 1167 L HA 0.046 4.384 4.340 -0.002 0.000 0.222 1167 L C 2.378 179.191 176.870 -0.095 0.000 1.096 1167 L CA 1.374 56.173 54.840 -0.067 0.000 0.857 1167 L CB -0.072 41.858 42.059 -0.216 0.000 1.026 1167 L HN 0.498 nan 8.230 nan 0.000 0.469 1168 T N -6.114 108.417 114.554 -0.039 0.000 3.016 1168 T HA 0.249 4.598 4.350 -0.002 0.000 0.271 1168 T C 1.417 176.109 174.700 -0.014 0.000 0.968 1168 T CA 0.506 62.579 62.100 -0.045 0.000 0.891 1168 T CB 0.991 69.830 68.868 -0.049 0.000 1.149 1168 T HN 0.232 nan 8.240 nan 0.000 0.524 1169 G N 1.475 110.282 108.800 0.012 0.000 2.189 1169 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.267 1169 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.267 1169 G C -0.112 174.820 174.900 0.052 0.000 0.975 1169 G CA 0.379 45.494 45.100 0.024 0.000 0.644 1169 G HN 0.770 nan 8.290 nan 0.000 0.537 1170 D N 0.982 121.407 120.400 0.042 0.000 2.360 1170 D HA 0.518 5.157 4.640 -0.002 0.000 0.242 1170 D C 0.626 176.994 176.300 0.113 0.000 1.184 1170 D CA 0.495 54.524 54.000 0.049 0.000 0.930 1170 D CB 0.291 41.086 40.800 -0.008 0.000 1.161 1170 D HN 0.598 nan 8.370 nan 0.000 0.447 1171 H N -1.299 117.750 119.070 -0.034 0.000 3.046 1171 H HA 0.383 4.938 4.556 -0.002 0.000 0.363 1171 H C -1.260 174.043 175.328 -0.042 0.000 1.203 1171 H CA -0.934 55.092 56.048 -0.037 0.000 1.169 1171 H CB 0.622 30.356 29.762 -0.047 0.000 1.851 1171 H HN 0.252 nan 8.280 nan 0.000 0.546 1172 K N 2.239 122.608 120.400 -0.052 0.000 2.130 1172 K HA 0.305 4.624 4.320 -0.002 0.000 0.268 1172 K C -0.473 176.128 176.600 0.001 0.000 0.983 1172 K CA -1.034 55.197 56.287 -0.093 0.000 0.893 1172 K CB 1.136 33.602 32.500 -0.056 0.000 1.066 1172 K HN 0.436 nan 8.250 nan 0.000 0.450 1173 N N 3.214 121.897 118.700 -0.029 0.000 2.420 1173 N HA 0.131 4.869 4.740 -0.002 0.000 0.249 1173 N C 0.573 176.068 175.510 -0.024 0.000 1.033 1173 N CA -0.098 52.960 53.050 0.013 0.000 0.944 1173 N CB 1.000 39.488 38.487 0.001 0.000 1.113 1173 N HN 0.476 nan 8.380 nan 0.000 0.502 1174 L N 1.039 122.246 121.223 -0.027 0.000 2.168 1174 L HA 0.200 4.539 4.340 -0.002 0.000 0.203 1174 L C 1.014 177.866 176.870 -0.030 0.000 1.078 1174 L CA 0.701 55.516 54.840 -0.041 0.000 0.780 1174 L CB 0.155 42.172 42.059 -0.070 0.000 0.939 1174 L HN 0.372 nan 8.230 nan 0.000 0.451 1175 R N -0.801 119.683 120.500 -0.027 0.000 2.579 1175 R HA 0.386 4.725 4.340 -0.002 0.000 0.260 1175 R C -1.739 174.552 176.300 -0.016 0.000 1.103 1175 R CA -0.255 55.836 56.100 -0.017 0.000 0.942 1175 R CB 2.097 32.384 30.300 -0.022 0.000 1.251 1175 R HN -0.202 nan 8.270 nan 0.000 0.450 1176 T N 2.505 117.051 114.554 -0.013 0.000 2.971 1176 T HA 0.308 4.657 4.350 -0.002 0.000 0.304 1176 T C -1.628 173.062 174.700 -0.016 0.000 1.038 1176 T CA -0.668 61.405 62.100 -0.044 0.000 1.007 1176 T CB 1.726 70.489 68.868 -0.175 0.000 1.055 1176 T HN 0.509 nan 8.240 nan 0.000 0.451 1177 D N 1.803 122.176 120.400 -0.046 0.000 2.248 1177 D HA 0.701 5.340 4.640 -0.002 0.000 0.246 1177 D C -0.500 175.753 176.300 -0.078 0.000 1.027 1177 D CA -0.369 53.601 54.000 -0.049 0.000 0.853 1177 D CB 1.499 42.271 40.800 -0.046 0.000 1.243 1177 D HN 0.367 nan 8.370 nan 0.000 0.462 1178 I N 1.386 121.908 120.570 -0.079 0.000 2.686 1178 I HA 0.445 4.614 4.170 -0.002 0.000 0.295 1178 I C -1.085 175.007 176.117 -0.042 0.000 1.114 1178 I CA -1.067 60.191 61.300 -0.070 0.000 1.038 1178 I CB 2.332 40.268 38.000 -0.107 0.000 1.238 1178 I HN 0.024 nan 8.210 nan 0.000 0.420 1179 V N 6.057 125.965 119.914 -0.010 0.000 2.419 1179 V HA 0.407 4.526 4.120 -0.002 0.000 0.287 1179 V C -0.232 175.885 176.094 0.039 0.000 1.017 1179 V CA -0.443 61.861 62.300 0.006 0.000 0.844 1179 V CB 1.554 33.380 31.823 0.005 0.000 1.011 1179 V HN 0.583 nan 8.190 nan 0.000 0.429 1180 M N 3.137 122.761 119.600 0.040 0.000 2.300 1180 M HA 0.416 4.894 4.480 -0.002 0.000 0.348 1180 M C -0.287 176.056 176.300 0.072 0.000 1.151 1180 M CA -0.586 54.755 55.300 0.068 0.000 1.046 1180 M CB 1.364 33.998 32.600 0.057 0.000 1.647 1180 M HN 0.685 nan 8.290 nan 0.000 0.451 1181 D N 2.759 123.225 120.400 0.109 0.000 2.393 1181 D HA 0.270 4.909 4.640 -0.002 0.000 0.232 1181 D C 0.713 177.079 176.300 0.111 0.000 1.192 1181 D CA -0.316 53.753 54.000 0.116 0.000 0.882 1181 D CB 0.542 41.450 40.800 0.181 0.000 1.038 1181 D HN 0.404 nan 8.370 nan 0.000 0.499 1182 V N 1.894 121.851 119.914 0.072 0.000 3.542 1182 V HA 0.515 4.634 4.120 -0.002 0.000 0.296 1182 V C 1.263 177.380 176.094 0.037 0.000 1.364 1182 V CA 0.460 62.795 62.300 0.059 0.000 1.118 1182 V CB -0.626 31.222 31.823 0.041 0.000 0.972 1182 V HN 0.679 nan 8.190 nan 0.000 0.430 1183 G N 1.554 110.375 108.800 0.035 0.000 2.547 1183 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.271 1183 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.271 1183 G C 0.025 174.927 174.900 0.004 0.000 1.209 1183 G CA 0.052 45.156 45.100 0.006 0.000 0.959 1183 G HN 1.128 nan 8.290 nan 0.000 0.563 1184 S N 0.497 116.193 115.700 -0.006 0.000 2.473 1184 S HA 0.543 5.012 4.470 -0.002 0.000 0.312 1184 S C 0.470 175.072 174.600 0.004 0.000 1.087 1184 S CA 0.601 58.800 58.200 -0.002 0.000 1.077 1184 S CB 1.217 64.415 63.200 -0.005 0.000 1.065 1184 S HN 1.261 nan 8.310 nan 0.000 0.510 1185 S N 2.734 118.437 115.700 0.005 0.000 2.558 1185 S HA 0.081 4.550 4.470 -0.002 0.000 0.293 1185 S C 1.273 175.878 174.600 0.008 0.000 1.292 1185 S CA -0.485 57.720 58.200 0.008 0.000 1.063 1185 S CB 0.010 63.213 63.200 0.005 0.000 0.831 1185 S HN 0.641 nan 8.310 nan 0.000 0.499 1186 L N 3.329 124.562 121.223 0.018 0.000 2.291 1186 L HA 0.160 4.499 4.340 -0.002 0.000 0.214 1186 L C 1.141 178.014 176.870 0.005 0.000 1.120 1186 L CA 0.403 55.256 54.840 0.022 0.000 0.799 1186 L CB -0.285 41.802 42.059 0.046 0.000 0.925 1186 L HN 0.583 nan 8.230 nan 0.000 0.446 1187 N N -0.999 117.703 118.700 0.004 0.000 2.793 1187 N HA 0.131 4.870 4.740 -0.002 0.000 0.251 1187 N C -2.282 173.228 175.510 0.002 0.000 1.308 1187 N CA -1.066 51.984 53.050 0.000 0.000 0.781 1187 N CB 1.361 39.848 38.487 0.000 0.000 1.439 1187 N HN -0.299 nan 8.380 nan 0.000 0.562 1188 P HA -0.182 nan 4.420 nan 0.000 0.216 1188 P C 1.149 178.445 177.300 -0.005 0.000 1.157 1188 P CA 1.822 64.918 63.100 -0.005 0.000 0.880 1188 P CB 0.295 31.988 31.700 -0.010 0.000 0.791 1189 A N -0.363 122.456 122.820 -0.002 0.000 1.865 1189 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 1189 A C 2.228 179.819 177.584 0.012 0.000 1.191 1189 A CA 1.776 53.815 52.037 0.003 0.000 0.623 1189 A CB -1.553 17.454 19.000 0.011 0.000 0.826 1189 A HN 0.032 nan 8.150 nan 0.000 0.444 1190 I N 0.662 121.244 120.570 0.020 0.000 2.127 1190 I HA -0.223 3.946 4.170 -0.002 0.000 0.241 1190 I C 1.911 178.043 176.117 0.026 0.000 1.075 1190 I CA 1.812 63.131 61.300 0.030 0.000 1.334 1190 I CB -1.597 36.415 38.000 0.021 0.000 1.040 1190 I HN 0.314 nan 8.210 nan 0.000 0.405 1191 D N 0.570 120.979 120.400 0.015 0.000 2.117 1191 D HA -0.112 4.527 4.640 -0.002 0.000 0.198 1191 D C 2.370 178.675 176.300 0.008 0.000 0.982 1191 D CA 0.981 54.990 54.000 0.015 0.000 0.828 1191 D CB -0.177 40.631 40.800 0.013 0.000 0.967 1191 D HN 0.313 nan 8.370 nan 0.000 0.464 1192 I N 1.014 121.578 120.570 -0.009 0.000 2.264 1192 I HA -0.185 3.983 4.170 -0.002 0.000 0.248 1192 I C 2.430 178.529 176.117 -0.029 0.000 1.111 1192 I CA 1.345 62.624 61.300 -0.035 0.000 1.382 1192 I CB -0.263 37.701 38.000 -0.060 0.000 1.060 1192 I HN 0.026 nan 8.210 nan 0.000 0.418 1193 G N -0.497 108.301 108.800 -0.003 0.000 2.443 1193 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.219 1193 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.219 1193 G C 1.594 176.526 174.900 0.053 0.000 1.131 1193 G CA 0.257 45.370 45.100 0.020 0.000 0.775 1193 G HN 0.269 nan 8.290 nan 0.000 0.547 1194 Q N 0.144 119.975 119.800 0.052 0.000 2.096 1194 Q HA 0.026 4.365 4.340 -0.002 0.000 0.197 1194 Q C 2.997 179.047 176.000 0.083 0.000 0.964 1194 Q CA 0.703 56.550 55.803 0.073 0.000 0.838 1194 Q CB -0.628 28.143 28.738 0.056 0.000 0.906 1194 Q HN 0.384 nan 8.270 nan 0.000 0.444 1195 V N 1.684 121.635 119.914 0.062 0.000 2.287 1195 V HA -0.267 3.852 4.120 -0.002 0.000 0.248 1195 V C 2.114 178.297 176.094 0.149 0.000 1.053 1195 V CA 2.044 64.395 62.300 0.084 0.000 1.027 1195 V CB -0.514 31.329 31.823 0.032 0.000 0.646 1195 V HN 0.393 nan 8.190 nan 0.000 0.447 1196 E N 0.175 120.431 120.200 0.093 0.000 2.072 1196 E HA -0.106 4.242 4.350 -0.002 0.000 0.191 1196 E C 2.343 179.122 176.600 0.299 0.000 0.985 1196 E CA 1.141 57.653 56.400 0.186 0.000 0.801 1196 E CB -0.492 29.177 29.700 -0.052 0.000 0.750 1196 E HN 0.646 nan 8.360 nan 0.000 0.452 1197 G N 1.445 110.356 108.800 0.184 0.000 2.433 1197 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.216 1197 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.216 1197 G C 1.736 176.725 174.900 0.147 0.000 1.186 1197 G CA 0.974 46.169 45.100 0.159 0.000 0.779 1197 G HN 0.344 nan 8.290 nan 0.000 0.543 1198 A N 0.532 123.447 122.820 0.159 0.000 1.892 1198 A HA -0.088 4.231 4.320 -0.002 0.000 0.218 1198 A C 2.228 179.892 177.584 0.133 0.000 1.188 1198 A CA 1.909 54.023 52.037 0.129 0.000 0.631 1198 A CB -0.743 18.326 19.000 0.115 0.000 0.822 1198 A HN 0.469 nan 8.150 nan 0.000 0.447 1199 F N 0.484 120.482 119.950 0.080 0.000 2.126 1199 F HA -0.156 4.370 4.527 -0.002 0.000 0.299 1199 F C 2.165 177.981 175.800 0.026 0.000 1.096 1199 F CA 2.052 60.102 58.000 0.082 0.000 1.255 1199 F CB -0.155 38.946 39.000 0.169 0.000 0.997 1199 F HN 0.027 nan 8.300 nan 0.000 0.479 1200 V N -0.115 119.846 119.914 0.078 0.000 2.719 1200 V HA -0.218 3.900 4.120 -0.002 0.000 0.252 1200 V C 2.196 178.175 176.094 -0.192 0.000 1.065 1200 V CA 1.727 63.976 62.300 -0.085 0.000 1.086 1200 V CB -0.467 31.396 31.823 0.067 0.000 0.700 1200 V HN 0.381 nan 8.190 nan 0.000 0.467 1201 Q N -0.061 119.647 119.800 -0.154 0.000 2.083 1201 Q HA -0.083 4.256 4.340 -0.002 0.000 0.198 1201 Q C 2.378 178.200 176.000 -0.296 0.000 0.969 1201 Q CA 1.518 57.202 55.803 -0.199 0.000 0.838 1201 Q CB -0.474 28.174 28.738 -0.149 0.000 0.900 1201 Q HN 0.701 nan 8.270 nan 0.000 0.436 1202 G N 1.574 110.199 108.800 -0.292 0.000 2.491 1202 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.218 1202 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.218 1202 G C 1.359 176.026 174.900 -0.389 0.000 1.180 1202 G CA 1.104 45.983 45.100 -0.367 0.000 0.774 1202 G HN 0.380 nan 8.290 nan 0.000 0.562 1203 L N 1.808 122.760 121.223 -0.452 0.000 2.189 1203 L HA 0.081 4.420 4.340 -0.002 0.000 0.214 1203 L C 2.406 179.122 176.870 -0.256 0.000 1.097 1203 L CA 2.371 56.990 54.840 -0.368 0.000 0.764 1203 L CB -1.012 40.730 42.059 -0.528 0.000 0.900 1203 L HN 0.139 nan 8.230 nan 0.000 0.436 1204 G N -0.554 108.061 108.800 -0.308 0.000 2.408 1204 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.213 1204 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.213 1204 G C 1.474 176.166 174.900 -0.346 0.000 1.177 1204 G CA 0.586 45.511 45.100 -0.292 0.000 0.802 1204 G HN 0.429 nan 8.290 nan 0.000 0.533 1205 L N 0.013 120.940 121.223 -0.493 0.000 2.013 1205 L HA 0.054 4.392 4.340 -0.002 0.000 0.212 1205 L C 2.365 178.854 176.870 -0.636 0.000 1.073 1205 L CA 1.824 56.255 54.840 -0.682 0.000 0.753 1205 L CB -0.576 40.845 42.059 -1.063 0.000 0.890 1205 L HN 0.272 nan 8.230 nan 0.000 0.432 1206 F N -1.535 118.253 119.950 -0.270 0.000 2.664 1206 F HA 0.043 4.569 4.527 -0.002 0.000 0.296 1206 F C 1.846 177.621 175.800 -0.043 0.000 1.125 1206 F CA 0.663 58.527 58.000 -0.227 0.000 1.444 1206 F CB -0.213 38.648 39.000 -0.231 0.000 1.114 1206 F HN 0.277 nan 8.300 nan 0.000 0.576 1207 T N -4.206 110.380 114.554 0.053 0.000 3.058 1207 T HA 0.257 4.606 4.350 -0.002 0.000 0.278 1207 T C 0.772 175.468 174.700 -0.006 0.000 0.974 1207 T CA 0.097 62.221 62.100 0.040 0.000 0.893 1207 T CB 0.350 69.245 68.868 0.045 0.000 1.138 1207 T HN 0.124 nan 8.240 nan 0.000 0.529 1208 L N 0.034 121.200 121.223 -0.095 0.000 2.877 1208 L HA 0.531 4.870 4.340 -0.002 0.000 0.275 1208 L C -0.454 176.262 176.870 -0.256 0.000 1.027 1208 L CA 0.414 55.164 54.840 -0.150 0.000 1.135 1208 L CB 0.845 42.797 42.059 -0.179 0.000 2.080 1208 L HN 0.159 nan 8.230 nan 0.000 0.560 1209 E N 1.278 121.286 120.200 -0.321 0.000 2.174 1209 E HA 0.377 4.725 4.350 -0.002 0.000 0.282 1209 E C -0.596 175.861 176.600 -0.237 0.000 0.992 1209 E CA -0.093 55.991 56.400 -0.526 0.000 0.803 1209 E CB 1.288 30.642 29.700 -0.576 0.000 1.090 1209 E HN 0.048 nan 8.360 nan 0.000 0.396 1210 E N 4.009 124.113 120.200 -0.161 0.000 2.302 1210 E HA 0.205 4.554 4.350 -0.002 0.000 0.263 1210 E C -1.237 175.529 176.600 0.275 0.000 0.897 1210 E CA -0.475 55.978 56.400 0.089 0.000 0.809 1210 E CB 1.000 30.725 29.700 0.041 0.000 1.270 1210 E HN 0.428 nan 8.360 nan 0.000 0.410 1211 L N 4.182 125.572 121.223 0.279 0.000 2.313 1211 L HA 0.309 4.647 4.340 -0.002 0.000 0.282 1211 L C -0.139 176.726 176.870 -0.008 0.000 1.092 1211 L CA -0.305 54.584 54.840 0.082 0.000 0.831 1211 L CB 0.388 42.445 42.059 -0.004 0.000 1.159 1211 L HN 0.483 nan 8.230 nan 0.000 0.442 1212 H N 2.996 121.929 119.070 -0.227 0.000 2.529 1212 H HA 0.501 5.056 4.556 -0.002 0.000 0.348 1212 H C -1.404 173.724 175.328 -0.334 0.000 1.079 1212 H CA -0.488 55.481 56.048 -0.133 0.000 1.198 1212 H CB 0.989 30.788 29.762 0.062 0.000 1.521 1212 H HN 0.307 nan 8.280 nan 0.000 0.514 1213 Y N 1.482 121.441 120.300 -0.568 0.000 2.567 1213 Y HA 0.340 4.889 4.550 -0.002 0.000 0.333 1213 Y C 0.731 176.228 175.900 -0.672 0.000 1.106 1213 Y CA -0.728 57.059 58.100 -0.522 0.000 1.157 1213 Y CB 1.602 39.906 38.460 -0.261 0.000 1.277 1213 Y HN 0.736 nan 8.280 nan 0.000 0.490 1214 S N 0.837 116.279 115.700 -0.430 0.000 2.614 1214 S HA 0.201 4.669 4.470 -0.002 0.000 0.265 1214 S C -1.990 172.567 174.600 -0.072 0.000 1.303 1214 S CA -1.000 57.073 58.200 -0.213 0.000 1.000 1214 S CB 0.977 64.080 63.200 -0.160 0.000 0.935 1214 S HN 0.472 nan 8.310 nan 0.000 0.551 1215 P HA -0.039 nan 4.420 nan 0.000 0.219 1215 P C 0.627 177.912 177.300 -0.025 0.000 1.146 1215 P CA 1.137 64.234 63.100 -0.004 0.000 0.808 1215 P CB -0.083 31.628 31.700 0.018 0.000 0.779 1216 E N -1.540 118.644 120.200 -0.028 0.000 2.482 1216 E HA 0.200 4.549 4.350 -0.002 0.000 0.196 1216 E C 1.452 178.021 176.600 -0.051 0.000 1.047 1216 E CA 0.831 57.211 56.400 -0.034 0.000 0.869 1216 E CB -0.712 28.973 29.700 -0.026 0.000 0.836 1216 E HN 0.231 nan 8.360 nan 0.000 0.520 1217 G N 0.310 109.071 108.800 -0.064 0.000 2.144 1217 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.218 1217 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.218 1217 G C 0.302 175.195 174.900 -0.012 0.000 0.988 1217 G CA 0.217 45.268 45.100 -0.082 0.000 0.659 1217 G HN 0.250 nan 8.290 nan 0.000 0.522 1218 S N 0.123 115.807 115.700 -0.026 0.000 2.465 1218 S HA 0.593 5.062 4.470 -0.002 0.000 0.279 1218 S C 0.477 175.038 174.600 -0.065 0.000 1.201 1218 S CA -0.569 57.616 58.200 -0.024 0.000 1.053 1218 S CB 0.709 63.872 63.200 -0.063 0.000 0.953 1218 S HN 1.121 nan 8.310 nan 0.000 0.488 1219 L N 6.620 127.876 121.223 0.056 0.000 2.513 1219 L HA 0.232 4.571 4.340 -0.002 0.000 0.272 1219 L C 0.976 177.746 176.870 -0.166 0.000 1.187 1219 L CA 0.799 55.549 54.840 -0.149 0.000 0.895 1219 L CB 0.304 42.325 42.059 -0.062 0.000 1.147 1219 L HN 0.781 nan 8.230 nan 0.000 0.483 1220 H N 1.682 120.672 119.070 -0.134 0.000 2.486 1220 H HA 0.114 4.669 4.556 -0.002 0.000 0.287 1220 H C 0.271 175.595 175.328 -0.005 0.000 1.010 1220 H CA 1.004 57.034 56.048 -0.030 0.000 1.324 1220 H CB -0.058 29.723 29.762 0.032 0.000 1.446 1220 H HN 0.684 nan 8.280 nan 0.000 0.537 1221 T N 0.325 114.930 114.554 0.085 0.000 2.863 1221 T HA 0.403 4.752 4.350 -0.002 0.000 0.299 1221 T C 0.765 175.490 174.700 0.043 0.000 0.973 1221 T CA -0.579 61.578 62.100 0.095 0.000 0.994 1221 T CB 0.579 69.531 68.868 0.141 0.000 0.961 1221 T HN 0.200 nan 8.240 nan 0.000 0.552 1222 R N 1.864 122.412 120.500 0.080 0.000 2.629 1222 R HA 0.447 4.786 4.340 -0.002 0.000 0.408 1222 R C 0.608 176.969 176.300 0.102 0.000 1.057 1222 R CA -0.560 55.577 56.100 0.062 0.000 1.119 1222 R CB 1.252 31.586 30.300 0.058 0.000 1.403 1222 R HN 0.811 nan 8.270 nan 0.000 0.576 1223 G N 0.305 109.208 108.800 0.172 0.000 2.559 1223 G HA2 0.180 4.139 3.960 -0.002 0.000 0.291 1223 G HA3 0.180 4.139 3.960 -0.002 0.000 0.291 1223 G C -2.560 172.529 174.900 0.314 0.000 1.424 1223 G CA -0.787 44.452 45.100 0.233 0.000 0.786 1223 G HN -0.307 nan 8.290 nan 0.000 0.485 1224 P HA -0.132 nan 4.420 nan 0.000 0.219 1224 P C 1.966 179.313 177.300 0.079 0.000 1.146 1224 P CA 2.116 65.317 63.100 0.170 0.000 0.808 1224 P CB 0.092 31.899 31.700 0.179 0.000 0.779 1225 S N -0.752 115.004 115.700 0.094 0.000 2.428 1225 S HA -0.083 4.386 4.470 -0.002 0.000 0.230 1225 S C 1.819 176.447 174.600 0.047 0.000 1.014 1225 S CA 1.744 59.975 58.200 0.053 0.000 0.957 1225 S CB -1.581 61.649 63.200 0.050 0.000 0.784 1225 S HN 0.364 nan 8.310 nan 0.000 0.499 1226 T N -3.581 111.025 114.554 0.087 0.000 2.959 1226 T HA 0.279 4.628 4.350 -0.002 0.000 0.254 1226 T C -0.033 174.744 174.700 0.128 0.000 1.003 1226 T CA -0.417 61.735 62.100 0.087 0.000 0.950 1226 T CB -0.362 68.566 68.868 0.100 0.000 1.090 1226 T HN 0.370 nan 8.240 nan 0.000 0.503 1227 Y N 2.672 122.974 120.300 0.003 0.000 2.334 1227 Y HA 0.563 5.112 4.550 -0.002 0.000 0.336 1227 Y C -0.904 174.917 175.900 -0.131 0.000 0.960 1227 Y CA -1.351 56.730 58.100 -0.033 0.000 1.164 1227 Y CB 1.022 39.501 38.460 0.031 0.000 1.155 1227 Y HN -0.178 nan 8.280 nan 0.000 0.478 1228 K N 8.917 129.050 120.400 -0.445 0.000 2.357 1228 K HA 0.261 4.580 4.320 -0.002 0.000 0.251 1228 K C -0.274 176.017 176.600 -0.514 0.000 1.069 1228 K CA -0.407 55.652 56.287 -0.380 0.000 0.994 1228 K CB 0.286 32.637 32.500 -0.248 0.000 1.411 1228 K HN 0.840 nan 8.250 nan 0.000 0.450 1229 I N -0.621 119.630 120.570 -0.530 0.000 3.004 1229 I HA 0.314 4.483 4.170 -0.002 0.000 0.287 1229 I C -2.014 173.921 176.117 -0.303 0.000 1.144 1229 I CA -2.088 58.948 61.300 -0.440 0.000 1.353 1229 I CB -0.059 37.660 38.000 -0.469 0.000 1.417 1229 I HN 0.177 nan 8.210 nan 0.000 0.602 1230 P HA 0.175 nan 4.420 nan 0.000 0.265 1230 P C -0.859 176.346 177.300 -0.159 0.000 1.193 1230 P CA 0.011 62.998 63.100 -0.187 0.000 0.765 1230 P CB 0.662 32.259 31.700 -0.172 0.000 0.823 1231 A N 2.485 125.236 122.820 -0.115 0.000 2.299 1231 A HA 0.481 4.799 4.320 -0.002 0.000 0.332 1231 A C 0.843 178.413 177.584 -0.024 0.000 1.131 1231 A CA -0.565 51.441 52.037 -0.051 0.000 0.844 1231 A CB -0.034 18.962 19.000 -0.007 0.000 1.251 1231 A HN 0.443 nan 8.150 nan 0.000 0.486 1232 F N 1.207 121.145 119.950 -0.021 0.000 2.050 1232 F HA -0.299 4.226 4.527 -0.002 0.000 0.294 1232 F C 2.510 178.303 175.800 -0.012 0.000 1.113 1232 F CA 2.858 60.857 58.000 -0.001 0.000 1.225 1232 F CB -0.516 38.486 39.000 0.003 0.000 0.953 1232 F HN 0.644 nan 8.300 nan 0.000 0.501 1233 G N -1.902 107.003 108.800 0.175 0.000 2.956 1233 G HA2 -0.006 3.953 3.960 -0.002 0.000 0.207 1233 G HA3 -0.006 3.953 3.960 -0.002 0.000 0.207 1233 G C 1.353 176.248 174.900 -0.008 0.000 1.162 1233 G CA 0.733 45.874 45.100 0.068 0.000 0.796 1233 G HN 0.367 nan 8.290 nan 0.000 0.527 1234 S N 0.059 115.739 115.700 -0.033 0.000 2.458 1234 S HA 0.133 4.602 4.470 -0.002 0.000 0.223 1234 S C 1.292 175.836 174.600 -0.093 0.000 1.019 1234 S CA -0.267 57.879 58.200 -0.090 0.000 0.937 1234 S CB -0.059 63.075 63.200 -0.110 0.000 0.788 1234 S HN 0.629 nan 8.310 nan 0.000 0.511 1235 I N 0.836 121.364 120.570 -0.070 0.000 2.938 1235 I HA 0.287 4.456 4.170 -0.002 0.000 0.285 1235 I C -2.918 173.125 176.117 -0.124 0.000 1.182 1235 I CA -2.214 59.013 61.300 -0.123 0.000 1.388 1235 I CB -0.189 37.782 38.000 -0.049 0.000 1.390 1235 I HN -0.158 nan 8.210 nan 0.000 0.600 1236 P HA 0.087 nan 4.420 nan 0.000 0.268 1236 P C 0.501 177.785 177.300 -0.025 0.000 1.204 1236 P CA -0.066 62.956 63.100 -0.130 0.000 0.768 1236 P CB 0.686 32.273 31.700 -0.188 0.000 0.842 1237 T N 0.310 114.861 114.554 -0.004 0.000 2.680 1237 T HA -0.189 4.160 4.350 -0.002 0.000 0.268 1237 T C 0.764 175.498 174.700 0.058 0.000 1.033 1237 T CA 1.620 63.735 62.100 0.026 0.000 1.152 1237 T CB -0.298 68.572 68.868 0.005 0.000 0.859 1237 T HN 0.402 nan 8.240 nan 0.000 0.452 1238 E N 0.301 120.533 120.200 0.053 0.000 2.145 1238 E HA 0.468 4.817 4.350 -0.002 0.000 0.262 1238 E C -1.765 174.922 176.600 0.146 0.000 0.883 1238 E CA -0.868 55.578 56.400 0.077 0.000 0.748 1238 E CB 0.489 30.209 29.700 0.033 0.000 1.140 1238 E HN 0.432 nan 8.360 nan 0.000 0.417 1239 F N 5.055 124.979 119.950 -0.043 0.000 2.646 1239 F HA 0.443 4.968 4.527 -0.002 0.000 0.364 1239 F C -0.315 175.435 175.800 -0.083 0.000 1.137 1239 F CA -0.814 57.141 58.000 -0.075 0.000 1.085 1239 F CB 0.638 39.611 39.000 -0.046 0.000 1.331 1239 F HN 0.152 nan 8.300 nan 0.000 0.472 1240 R N 4.800 125.343 120.500 0.072 0.000 2.393 1240 R HA 0.667 5.006 4.340 -0.002 0.000 0.310 1240 R C -1.357 174.867 176.300 -0.127 0.000 0.968 1240 R CA -0.941 55.117 56.100 -0.069 0.000 0.867 1240 R CB 2.672 32.952 30.300 -0.033 0.000 1.124 1240 R HN 0.293 nan 8.270 nan 0.000 0.450 1241 V N 1.930 121.735 119.914 -0.182 0.000 2.588 1241 V HA 0.403 4.522 4.120 -0.002 0.000 0.304 1241 V C -0.477 175.557 176.094 -0.100 0.000 1.042 1241 V CA -0.645 61.560 62.300 -0.158 0.000 0.877 1241 V CB 2.149 33.840 31.823 -0.219 0.000 0.996 1241 V HN 0.793 nan 8.190 nan 0.000 0.425 1242 S N 4.809 120.470 115.700 -0.065 0.000 2.526 1242 S HA 0.731 5.200 4.470 -0.002 0.000 0.293 1242 S C -0.686 173.899 174.600 -0.024 0.000 1.092 1242 S CA -0.640 57.534 58.200 -0.042 0.000 0.980 1242 S CB 1.716 64.896 63.200 -0.033 0.000 1.048 1242 S HN 0.519 nan 8.310 nan 0.000 0.483 1243 L N 2.510 123.723 121.223 -0.017 0.000 2.312 1243 L HA 0.455 4.794 4.340 -0.002 0.000 0.281 1243 L C -0.239 176.634 176.870 0.004 0.000 1.070 1243 L CA -0.898 53.941 54.840 -0.002 0.000 0.805 1243 L CB 0.650 42.708 42.059 -0.003 0.000 1.174 1243 L HN 0.476 nan 8.230 nan 0.000 0.434 1244 L N 4.002 125.236 121.223 0.017 0.000 2.453 1244 L HA 0.196 4.535 4.340 -0.002 0.000 0.272 1244 L C 0.180 177.058 176.870 0.013 0.000 1.182 1244 L CA 0.502 55.353 54.840 0.018 0.000 0.858 1244 L CB 0.249 42.325 42.059 0.030 0.000 1.120 1244 L HN 0.489 nan 8.230 nan 0.000 0.474 1245 R N 3.953 124.459 120.500 0.009 0.000 2.486 1245 R HA 0.288 4.627 4.340 -0.002 0.000 0.286 1245 R C -0.608 175.696 176.300 0.007 0.000 0.999 1245 R CA -0.678 55.425 56.100 0.005 0.000 0.993 1245 R CB 0.670 30.971 30.300 0.002 0.000 1.084 1245 R HN 0.746 nan 8.270 nan 0.000 0.487 1246 D N 0.946 121.349 120.400 0.004 0.000 2.705 1246 D HA -0.133 4.506 4.640 -0.002 0.000 0.240 1246 D C -0.353 175.951 176.300 0.007 0.000 1.137 1246 D CA 0.942 54.945 54.000 0.004 0.000 0.677 1246 D CB -1.143 39.660 40.800 0.004 0.000 1.049 1246 D HN 0.721 nan 8.370 nan 0.000 0.427 1247 C N -1.563 117.741 119.300 0.008 0.000 3.495 1247 C HA 0.439 4.898 4.460 -0.002 0.000 0.201 1247 C C -2.303 172.688 174.990 0.003 0.000 1.408 1247 C CA -2.026 56.999 59.018 0.012 0.000 1.367 1247 C CB 0.115 27.869 27.740 0.023 0.000 1.845 1247 C HN -0.011 nan 8.230 nan 0.000 0.500 1248 P HA 0.107 nan 4.420 nan 0.000 0.267 1248 P C -0.308 176.967 177.300 -0.043 0.000 1.200 1248 P CA 0.703 63.790 63.100 -0.021 0.000 0.772 1248 P CB 0.585 32.275 31.700 -0.016 0.000 0.855 1249 N N 1.630 120.278 118.700 -0.087 0.000 2.501 1249 N HA 0.112 4.851 4.740 -0.002 0.000 0.245 1249 N C 0.595 176.000 175.510 -0.176 0.000 0.974 1249 N CA -0.389 52.560 53.050 -0.169 0.000 0.941 1249 N CB 0.490 38.792 38.487 -0.307 0.000 1.122 1249 N HN 0.079 nan 8.380 nan 0.000 0.507 1250 K N 1.561 121.882 120.400 -0.133 0.000 2.209 1250 K HA -0.021 4.298 4.320 -0.002 0.000 0.204 1250 K C 0.870 177.392 176.600 -0.129 0.000 1.048 1250 K CA 0.958 57.184 56.287 -0.102 0.000 0.940 1250 K CB 0.251 32.715 32.500 -0.061 0.000 0.729 1250 K HN 0.403 nan 8.250 nan 0.000 0.451 1251 K N -0.050 120.211 120.400 -0.232 0.000 2.487 1251 K HA 0.139 4.458 4.320 -0.002 0.000 0.192 1251 K C 0.127 176.687 176.600 -0.067 0.000 1.027 1251 K CA 0.202 56.351 56.287 -0.230 0.000 1.054 1251 K CB 0.704 32.867 32.500 -0.562 0.000 0.824 1251 K HN 0.109 nan 8.250 nan 0.000 0.510 1252 A N 0.583 123.296 122.820 -0.179 0.000 2.587 1252 A HA 0.437 4.756 4.320 -0.002 0.000 0.293 1252 A C -0.860 176.607 177.584 -0.194 0.000 1.087 1252 A CA -0.935 51.023 52.037 -0.132 0.000 0.692 1252 A CB 0.900 19.820 19.000 -0.135 0.000 1.291 1252 A HN 0.109 nan 8.150 nan 0.000 0.407 1253 I N 1.417 121.831 120.570 -0.259 0.000 3.015 1253 I HA -0.014 4.155 4.170 -0.002 0.000 0.309 1253 I C 0.203 176.179 176.117 -0.236 0.000 1.229 1253 I CA 1.494 62.556 61.300 -0.396 0.000 1.430 1253 I CB -1.215 36.519 38.000 -0.444 0.000 1.347 1253 I HN 0.631 nan 8.210 nan 0.000 0.544 1254 Y N 5.622 125.822 120.300 -0.168 0.000 3.491 1254 Y HA -0.280 4.269 4.550 -0.002 0.000 0.215 1254 Y C 1.425 177.266 175.900 -0.098 0.000 1.219 1254 Y CA 0.358 58.389 58.100 -0.115 0.000 1.485 1254 Y CB -1.796 36.615 38.460 -0.082 0.000 1.450 1254 Y HN 1.042 nan 8.280 nan 0.000 0.603 1255 A N -1.077 121.745 122.820 0.003 0.000 2.847 1255 A HA -0.268 4.050 4.320 -0.002 0.000 0.263 1255 A C 0.959 178.509 177.584 -0.058 0.000 1.391 1255 A CA 1.174 53.185 52.037 -0.044 0.000 0.866 1255 A CB -1.921 17.071 19.000 -0.014 0.000 1.057 1255 A HN 1.293 nan 8.150 nan 0.000 0.673 1256 S N -1.142 114.526 115.700 -0.053 0.000 2.713 1256 S HA 0.798 5.267 4.470 -0.002 0.000 0.277 1256 S C -0.138 174.410 174.600 -0.087 0.000 1.168 1256 S CA -0.299 57.877 58.200 -0.040 0.000 0.994 1256 S CB 1.545 64.746 63.200 0.001 0.000 1.054 1256 S HN 0.525 nan 8.310 nan 0.000 0.555 1257 K N -0.203 120.190 120.400 -0.010 0.000 2.426 1257 K HA 0.622 4.941 4.320 -0.002 0.000 0.251 1257 K C -0.709 175.973 176.600 0.136 0.000 0.941 1257 K CA -0.843 55.493 56.287 0.082 0.000 0.808 1257 K CB 2.204 34.772 32.500 0.114 0.000 1.265 1257 K HN 0.859 nan 8.250 nan 0.000 0.432 1258 A N 1.303 124.258 122.820 0.225 0.000 2.540 1258 A HA 0.093 4.412 4.320 -0.002 0.000 0.239 1258 A C 0.622 178.233 177.584 0.044 0.000 1.061 1258 A CA 0.093 52.186 52.037 0.092 0.000 0.758 1258 A CB 0.391 19.412 19.000 0.034 0.000 0.991 1258 A HN 0.539 nan 8.150 nan 0.000 0.502 1259 V N 2.718 122.637 119.914 0.008 0.000 3.451 1259 V HA 0.244 4.363 4.120 -0.002 0.000 0.288 1259 V C 1.617 177.693 176.094 -0.030 0.000 1.502 1259 V CA 1.421 63.720 62.300 -0.002 0.000 1.026 1259 V CB -0.133 31.703 31.823 0.021 0.000 0.840 1259 V HN 1.076 nan 8.190 nan 0.000 0.437 1260 G N 0.250 109.022 108.800 -0.047 0.000 2.453 1260 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.215 1260 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.215 1260 G C 1.229 176.077 174.900 -0.086 0.000 1.201 1260 G CA 1.346 46.425 45.100 -0.035 0.000 0.784 1260 G HN 0.579 nan 8.290 nan 0.000 0.545 1261 E N 0.377 120.426 120.200 -0.251 0.000 2.166 1261 E HA 0.021 4.370 4.350 -0.002 0.000 0.192 1261 E C -0.188 176.004 176.600 -0.680 0.000 0.967 1261 E CA 0.051 56.187 56.400 -0.440 0.000 0.840 1261 E CB 0.021 29.355 29.700 -0.609 0.000 0.795 1261 E HN 0.283 nan 8.360 nan 0.000 0.470 1262 P HA -0.169 nan 4.420 nan 0.000 0.216 1262 P C -1.685 175.555 177.300 -0.099 0.000 1.154 1262 P CA 1.951 64.764 63.100 -0.479 0.000 0.865 1262 P CB -0.823 30.773 31.700 -0.174 0.000 0.789 1263 P HA -0.036 nan 4.420 nan 0.000 0.225 1263 P C 1.618 179.018 177.300 0.168 0.000 1.156 1263 P CA 0.532 63.701 63.100 0.115 0.000 0.787 1263 P CB -0.430 31.345 31.700 0.125 0.000 0.802 1264 L N -1.019 120.262 121.223 0.096 0.000 2.064 1264 L HA -0.232 4.107 4.340 -0.002 0.000 0.216 1264 L C 2.216 179.196 176.870 0.183 0.000 1.077 1264 L CA 1.890 56.789 54.840 0.098 0.000 0.766 1264 L CB -0.767 41.316 42.059 0.039 0.000 0.890 1264 L HN -0.087 nan 8.230 nan 0.000 0.435 1265 F N -0.518 119.518 119.950 0.144 0.000 2.407 1265 F HA -0.111 4.415 4.527 -0.002 0.000 0.299 1265 F C 1.885 177.841 175.800 0.261 0.000 1.097 1265 F CA 1.016 59.170 58.000 0.256 0.000 1.422 1265 F CB -0.204 38.936 39.000 0.233 0.000 1.067 1265 F HN -0.017 nan 8.300 nan 0.000 0.539 1266 L N 0.078 121.344 121.223 0.072 0.000 2.349 1266 L HA -0.167 4.172 4.340 -0.002 0.000 0.220 1266 L C 2.630 179.568 176.870 0.113 0.000 1.130 1266 L CA 1.038 55.922 54.840 0.072 0.000 0.791 1266 L CB -1.543 40.691 42.059 0.291 0.000 0.918 1266 L HN 0.363 nan 8.230 nan 0.000 0.444 1267 G N -0.213 108.533 108.800 -0.089 0.000 2.470 1267 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.220 1267 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.220 1267 G C 1.724 176.537 174.900 -0.146 0.000 1.121 1267 G CA 0.695 45.495 45.100 -0.501 0.000 0.766 1267 G HN 0.483 nan 8.290 nan 0.000 0.553 1268 A N 1.360 124.012 122.820 -0.280 0.000 2.125 1268 A HA 0.002 4.321 4.320 -0.002 0.000 0.219 1268 A C 2.658 180.197 177.584 -0.075 0.000 1.156 1268 A CA 2.080 53.785 52.037 -0.553 0.000 0.671 1268 A CB -0.569 17.780 19.000 -1.085 0.000 0.794 1268 A HN 0.718 nan 8.150 nan 0.000 0.459 1269 S N -0.505 115.189 115.700 -0.009 0.000 2.419 1269 S HA -0.128 4.341 4.470 -0.002 0.000 0.235 1269 S C 1.660 176.345 174.600 0.142 0.000 1.019 1269 S CA 1.454 59.735 58.200 0.134 0.000 0.982 1269 S CB -0.734 62.559 63.200 0.155 0.000 0.789 1269 S HN 0.252 nan 8.310 nan 0.000 0.490 1270 V N 0.837 120.806 119.914 0.091 0.000 2.346 1270 V HA -0.009 4.110 4.120 -0.002 0.000 0.244 1270 V C 2.000 178.080 176.094 -0.023 0.000 1.037 1270 V CA 1.661 63.986 62.300 0.041 0.000 1.029 1270 V CB -0.991 30.846 31.823 0.024 0.000 0.663 1270 V HN 0.516 nan 8.190 nan 0.000 0.454 1271 F N 0.827 120.662 119.950 -0.192 0.000 2.063 1271 F HA -0.318 4.208 4.527 -0.002 0.000 0.298 1271 F C 1.987 177.570 175.800 -0.363 0.000 1.105 1271 F CA 2.340 60.136 58.000 -0.339 0.000 1.215 1271 F CB -0.413 38.242 39.000 -0.575 0.000 0.972 1271 F HN 0.171 nan 8.300 nan 0.000 0.483 1272 F N -0.420 119.606 119.950 0.126 0.000 2.367 1272 F HA 0.060 4.586 4.527 -0.002 0.000 0.298 1272 F C 2.394 178.177 175.800 -0.028 0.000 1.094 1272 F CA 0.680 58.715 58.000 0.058 0.000 1.409 1272 F CB -0.959 38.089 39.000 0.082 0.000 1.064 1272 F HN 0.044 nan 8.300 nan 0.000 0.528 1273 A N 0.266 123.146 122.820 0.101 0.000 1.969 1273 A HA -0.088 4.231 4.320 -0.002 0.000 0.218 1273 A C 2.151 179.706 177.584 -0.048 0.000 1.169 1273 A CA 1.225 53.283 52.037 0.035 0.000 0.635 1273 A CB -0.885 18.130 19.000 0.025 0.000 0.810 1273 A HN 0.409 nan 8.150 nan 0.000 0.445 1274 I N -0.969 119.508 120.570 -0.155 0.000 2.439 1274 I HA -0.169 4.000 4.170 -0.002 0.000 0.251 1274 I C 2.472 178.481 176.117 -0.180 0.000 1.139 1274 I CA 1.192 62.351 61.300 -0.235 0.000 1.438 1274 I CB -0.153 37.590 38.000 -0.428 0.000 1.085 1274 I HN 0.298 nan 8.210 nan 0.000 0.427 1275 K N 0.715 121.000 120.400 -0.193 0.000 2.155 1275 K HA -0.212 4.107 4.320 -0.002 0.000 0.203 1275 K C 1.606 178.262 176.600 0.093 0.000 1.052 1275 K CA 1.503 57.753 56.287 -0.060 0.000 0.948 1275 K CB 0.010 32.459 32.500 -0.086 0.000 0.728 1275 K HN 0.142 nan 8.250 nan 0.000 0.448 1276 D N 0.077 120.518 120.400 0.068 0.000 2.117 1276 D HA -0.097 4.542 4.640 -0.002 0.000 0.197 1276 D C 1.604 177.940 176.300 0.060 0.000 0.987 1276 D CA 1.344 55.391 54.000 0.079 0.000 0.829 1276 D CB 0.073 40.911 40.800 0.062 0.000 0.961 1276 D HN 0.276 nan 8.370 nan 0.000 0.460 1277 A N -0.251 122.583 122.820 0.024 0.000 1.929 1277 A HA -0.042 4.277 4.320 -0.002 0.000 0.216 1277 A C 2.296 179.895 177.584 0.027 0.000 1.176 1277 A CA 0.769 52.817 52.037 0.019 0.000 0.628 1277 A CB -0.585 18.410 19.000 -0.009 0.000 0.816 1277 A HN 0.293 nan 8.150 nan 0.000 0.444 1278 I N -0.951 119.636 120.570 0.029 0.000 2.202 1278 I HA -0.243 3.926 4.170 -0.002 0.000 0.242 1278 I C 2.676 178.800 176.117 0.012 0.000 1.091 1278 I CA 1.237 62.541 61.300 0.006 0.000 1.368 1278 I CB -0.364 37.643 38.000 0.013 0.000 1.058 1278 I HN 0.244 nan 8.210 nan 0.000 0.410 1279 R N 0.672 121.261 120.500 0.148 0.000 2.134 1279 R HA -0.266 4.073 4.340 -0.002 0.000 0.248 1279 R C 2.392 178.729 176.300 0.063 0.000 1.143 1279 R CA 1.953 58.155 56.100 0.170 0.000 0.957 1279 R CB -0.576 29.849 30.300 0.208 0.000 0.867 1279 R HN 0.448 nan 8.270 nan 0.000 0.441 1280 A N 0.533 123.381 122.820 0.046 0.000 1.898 1280 A HA -0.078 4.241 4.320 -0.002 0.000 0.216 1280 A C 2.293 179.865 177.584 -0.020 0.000 1.181 1280 A CA 1.622 53.669 52.037 0.017 0.000 0.620 1280 A CB -0.547 18.471 19.000 0.030 0.000 0.819 1280 A HN 0.444 nan 8.150 nan 0.000 0.442 1281 A N -0.423 122.390 122.820 -0.012 0.000 1.969 1281 A HA -0.083 4.236 4.320 -0.002 0.000 0.218 1281 A C 2.214 179.778 177.584 -0.034 0.000 1.169 1281 A CA 1.328 53.353 52.037 -0.020 0.000 0.635 1281 A CB -0.372 18.649 19.000 0.034 0.000 0.810 1281 A HN 0.544 nan 8.150 nan 0.000 0.445 1282 R N -0.489 119.980 120.500 -0.052 0.000 2.066 1282 R HA -0.026 4.313 4.340 -0.002 0.000 0.232 1282 R C 2.450 178.726 176.300 -0.039 0.000 1.131 1282 R CA 1.186 57.251 56.100 -0.059 0.000 0.955 1282 R CB -0.423 29.803 30.300 -0.123 0.000 0.851 1282 R HN 0.476 nan 8.270 nan 0.000 0.432 1283 A N 0.838 123.638 122.820 -0.035 0.000 2.019 1283 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 1283 A C 2.082 179.610 177.584 -0.093 0.000 1.164 1283 A CA 1.454 53.468 52.037 -0.038 0.000 0.644 1283 A CB -0.375 18.614 19.000 -0.018 0.000 0.805 1283 A HN 0.296 nan 8.150 nan 0.000 0.449 1284 Q N -0.905 118.798 119.800 -0.162 0.000 1.993 1284 Q HA -0.189 4.150 4.340 -0.002 0.000 0.202 1284 Q C 1.509 177.289 176.000 -0.367 0.000 0.984 1284 Q CA 2.066 57.666 55.803 -0.339 0.000 0.837 1284 Q CB -0.185 28.239 28.738 -0.523 0.000 0.902 1284 Q HN 0.692 nan 8.270 nan 0.000 0.423 1285 H N -1.298 117.702 119.070 -0.118 0.000 2.893 1285 H HA 0.262 4.817 4.556 -0.002 0.000 0.270 1285 H C 0.549 175.844 175.328 -0.055 0.000 1.095 1285 H CA 0.901 56.884 56.048 -0.108 0.000 1.186 1285 H CB 0.717 30.408 29.762 -0.117 0.000 1.562 1285 H HN 0.498 nan 8.280 nan 0.000 0.536 1286 T N -1.370 113.217 114.554 0.056 0.000 2.121 1286 T HA 0.128 4.477 4.350 -0.002 0.000 0.197 1286 T C 1.058 175.767 174.700 0.016 0.000 0.822 1286 T CA -0.487 61.633 62.100 0.033 0.000 1.195 1286 T CB 0.437 69.312 68.868 0.012 0.000 3.009 1286 T HN 0.290 nan 8.240 nan 0.000 0.449 1287 N N 1.130 119.838 118.700 0.014 0.000 2.285 1287 N HA 0.124 4.863 4.740 -0.002 0.000 0.278 1287 N C -0.126 175.390 175.510 0.010 0.000 1.289 1287 N CA -0.474 52.586 53.050 0.016 0.000 0.934 1287 N CB 0.060 38.563 38.487 0.027 0.000 1.048 1287 N HN 0.566 nan 8.380 nan 0.000 0.499 1288 N N -1.349 117.362 118.700 0.017 0.000 2.167 1288 N HA 0.114 4.852 4.740 -0.002 0.000 0.234 1288 N C -1.118 174.409 175.510 0.027 0.000 1.312 1288 N CA -0.252 52.806 53.050 0.014 0.000 0.861 1288 N CB -0.003 38.488 38.487 0.006 0.000 1.217 1288 N HN 0.432 nan 8.380 nan 0.000 0.504 1289 N N 1.566 120.291 118.700 0.042 0.000 2.400 1289 N HA -0.002 4.736 4.740 -0.002 0.000 0.278 1289 N C 0.997 176.545 175.510 0.063 0.000 1.247 1289 N CA 0.425 53.508 53.050 0.055 0.000 0.970 1289 N CB 0.847 39.377 38.487 0.072 0.000 1.312 1289 N HN 0.181 nan 8.380 nan 0.000 0.488 1290 T N 0.597 115.183 114.554 0.053 0.000 2.848 1290 T HA -0.181 4.168 4.350 -0.002 0.000 0.269 1290 T C 1.105 175.850 174.700 0.075 0.000 1.081 1290 T CA 1.282 63.417 62.100 0.058 0.000 1.125 1290 T CB 0.118 69.015 68.868 0.048 0.000 0.848 1290 T HN 0.464 nan 8.240 nan 0.000 0.503 1291 K N 0.653 121.101 120.400 0.079 0.000 2.469 1291 K HA 0.197 4.516 4.320 -0.002 0.000 0.204 1291 K C 0.491 177.151 176.600 0.100 0.000 1.047 1291 K CA -0.213 56.127 56.287 0.088 0.000 1.072 1291 K CB 0.793 33.342 32.500 0.082 0.000 0.863 1291 K HN 0.569 nan 8.250 nan 0.000 0.530 1292 E N 1.822 122.088 120.200 0.111 0.000 2.373 1292 E HA 0.195 4.543 4.350 -0.002 0.000 0.263 1292 E C -0.922 175.773 176.600 0.159 0.000 1.073 1292 E CA -0.306 56.174 56.400 0.133 0.000 0.894 1292 E CB 0.728 30.515 29.700 0.144 0.000 1.008 1292 E HN 0.038 nan 8.360 nan 0.000 0.420 1293 L N 3.825 125.139 121.223 0.151 0.000 2.362 1293 L HA 0.503 4.842 4.340 -0.002 0.000 0.275 1293 L C -0.488 176.485 176.870 0.170 0.000 0.998 1293 L CA -1.109 53.793 54.840 0.103 0.000 0.820 1293 L CB 0.992 43.089 42.059 0.064 0.000 1.270 1293 L HN 0.534 nan 8.230 nan 0.000 0.415 1294 F N -0.380 119.630 119.950 0.100 0.000 2.523 1294 F HA 0.709 5.235 4.527 -0.002 0.000 0.329 1294 F C -0.074 175.804 175.800 0.129 0.000 1.061 1294 F CA -1.202 56.858 58.000 0.099 0.000 0.967 1294 F CB 1.163 40.211 39.000 0.081 0.000 1.218 1294 F HN 0.368 nan 8.300 nan 0.000 0.480 1295 R N 2.490 123.123 120.500 0.222 0.000 2.221 1295 R HA 0.563 4.902 4.340 -0.002 0.000 0.327 1295 R C -1.835 174.623 176.300 0.264 0.000 1.033 1295 R CA -0.723 55.480 56.100 0.171 0.000 0.887 1295 R CB 1.000 31.420 30.300 0.200 0.000 1.057 1295 R HN 0.858 nan 8.270 nan 0.000 0.455 1296 L N 5.091 126.438 121.223 0.205 0.000 2.342 1296 L HA 0.390 4.729 4.340 -0.002 0.000 0.276 1296 L C -1.140 175.999 176.870 0.448 0.000 0.997 1296 L CA -0.424 54.606 54.840 0.316 0.000 0.838 1296 L CB 1.451 43.658 42.059 0.246 0.000 1.224 1296 L HN 0.631 nan 8.230 nan 0.000 0.416 1297 D N 1.744 122.394 120.400 0.418 0.000 2.354 1297 D HA 0.249 4.888 4.640 -0.002 0.000 0.247 1297 D C -0.427 176.164 176.300 0.486 0.000 1.138 1297 D CA -0.028 54.242 54.000 0.451 0.000 0.958 1297 D CB 1.722 42.767 40.800 0.408 0.000 1.144 1297 D HN 0.464 nan 8.370 nan 0.000 0.458 1298 S N 0.255 116.114 115.700 0.266 0.000 2.541 1298 S HA 0.508 4.977 4.470 -0.002 0.000 0.283 1298 S C -2.578 172.072 174.600 0.083 0.000 1.196 1298 S CA -1.382 56.838 58.200 0.034 0.000 1.062 1298 S CB 0.968 63.779 63.200 -0.648 0.000 1.009 1298 S HN 0.160 nan 8.310 nan 0.000 0.502 1299 P HA 0.304 nan 4.420 nan 0.000 0.286 1299 P C -1.403 176.013 177.300 0.194 0.000 1.261 1299 P CA -0.650 62.516 63.100 0.110 0.000 0.821 1299 P CB 0.914 32.617 31.700 0.004 0.000 1.013 1300 A N 2.423 125.392 122.820 0.248 0.000 2.915 1300 A HA 0.378 4.697 4.320 -0.002 0.000 0.292 1300 A C 0.987 178.576 177.584 0.009 0.000 1.632 1300 A CA -0.075 52.006 52.037 0.074 0.000 1.337 1300 A CB -1.425 17.444 19.000 -0.219 0.000 1.111 1300 A HN 0.612 nan 8.150 nan 0.000 0.569 1301 T N -0.490 114.085 114.554 0.034 0.000 2.770 1301 T HA 0.387 4.736 4.350 -0.002 0.000 0.281 1301 T C -1.609 173.101 174.700 0.016 0.000 0.981 1301 T CA -1.327 60.785 62.100 0.019 0.000 0.955 1301 T CB 0.271 69.144 68.868 0.009 0.000 1.060 1301 T HN 0.162 nan 8.240 nan 0.000 0.531 1302 P HA -0.142 nan 4.420 nan 0.000 0.215 1302 P C 1.585 178.889 177.300 0.006 0.000 1.157 1302 P CA 1.455 64.566 63.100 0.018 0.000 0.874 1302 P CB -0.024 31.679 31.700 0.004 0.000 0.790 1303 E N 0.514 120.714 120.200 0.001 0.000 2.033 1303 E HA -0.274 4.074 4.350 -0.002 0.000 0.199 1303 E C 1.805 178.415 176.600 0.017 0.000 1.011 1303 E CA 1.705 58.107 56.400 0.003 0.000 0.815 1303 E CB -0.330 29.369 29.700 -0.002 0.000 0.755 1303 E HN 0.122 nan 8.360 nan 0.000 0.451 1304 K N -0.033 120.385 120.400 0.030 0.000 2.097 1304 K HA -0.093 4.226 4.320 -0.002 0.000 0.205 1304 K C 2.290 178.908 176.600 0.030 0.000 1.050 1304 K CA 1.364 57.682 56.287 0.051 0.000 0.938 1304 K CB -0.117 32.433 32.500 0.084 0.000 0.718 1304 K HN 0.276 nan 8.250 nan 0.000 0.442 1305 I N 0.496 121.068 120.570 0.003 0.000 2.163 1305 I HA -0.260 3.909 4.170 -0.002 0.000 0.240 1305 I C 2.542 178.653 176.117 -0.010 0.000 1.081 1305 I CA 0.960 62.247 61.300 -0.021 0.000 1.353 1305 I CB -0.126 37.849 38.000 -0.042 0.000 1.054 1305 I HN 0.045 nan 8.210 nan 0.000 0.407 1306 R N 1.564 122.066 120.500 0.002 0.000 2.105 1306 R HA -0.166 4.173 4.340 -0.002 0.000 0.239 1306 R C 1.886 178.191 176.300 0.008 0.000 1.135 1306 R CA 1.696 57.801 56.100 0.008 0.000 0.967 1306 R CB -0.569 29.731 30.300 0.001 0.000 0.861 1306 R HN 0.298 nan 8.270 nan 0.000 0.442 1307 N N -0.068 118.638 118.700 0.009 0.000 2.309 1307 N HA -0.072 4.667 4.740 -0.002 0.000 0.182 1307 N C 1.077 176.582 175.510 -0.008 0.000 1.018 1307 N CA 1.433 54.490 53.050 0.013 0.000 0.876 1307 N CB -0.157 38.347 38.487 0.028 0.000 0.972 1307 N HN 0.381 nan 8.380 nan 0.000 0.434 1308 A N -0.636 122.159 122.820 -0.042 0.000 2.178 1308 A HA 0.081 4.400 4.320 -0.002 0.000 0.211 1308 A C 0.989 178.458 177.584 -0.191 0.000 1.157 1308 A CA -0.043 51.902 52.037 -0.154 0.000 0.780 1308 A CB -0.099 18.781 19.000 -0.200 0.000 0.828 1308 A HN 0.289 nan 8.150 nan 0.000 0.476 1309 C N 1.889 121.144 119.300 -0.076 0.000 3.025 1309 C HA 0.357 4.816 4.460 -0.002 0.000 0.547 1309 C C 0.717 175.728 174.990 0.034 0.000 1.058 1309 C CA -0.932 58.078 59.018 -0.012 0.000 1.164 1309 C CB -2.267 25.506 27.740 0.056 0.000 1.405 1309 C HN 0.314 nan 8.230 nan 0.000 0.610 1310 V N 4.384 124.293 119.914 -0.008 0.000 2.540 1310 V HA 0.175 4.294 4.120 -0.002 0.000 0.297 1310 V C 0.286 176.421 176.094 0.068 0.000 1.024 1310 V CA 1.039 63.353 62.300 0.023 0.000 1.105 1310 V CB 0.158 31.977 31.823 -0.006 0.000 0.938 1310 V HN 0.862 nan 8.190 nan 0.000 0.482 1311 D N 3.097 123.548 120.400 0.085 0.000 2.759 1311 D HA 0.224 4.863 4.640 -0.002 0.000 0.321 1311 D C 0.660 176.972 176.300 0.019 0.000 1.267 1311 D CA -0.651 53.393 54.000 0.073 0.000 0.933 1311 D CB 0.792 41.672 40.800 0.133 0.000 1.431 1311 D HN 0.349 nan 8.370 nan 0.000 0.504 1312 K N -0.500 119.849 120.400 -0.085 0.000 2.362 1312 K HA -0.122 4.196 4.320 -0.002 0.000 0.202 1312 K C 0.824 177.212 176.600 -0.353 0.000 1.045 1312 K CA 1.350 57.490 56.287 -0.246 0.000 0.936 1312 K CB -0.546 31.747 32.500 -0.344 0.000 0.747 1312 K HN 0.317 nan 8.250 nan 0.000 0.467 1313 F N 1.846 121.793 119.950 -0.005 0.000 2.317 1313 F HA -0.003 4.523 4.527 -0.002 0.000 0.290 1313 F C 2.732 178.521 175.800 -0.018 0.000 1.075 1313 F CA 1.038 59.021 58.000 -0.028 0.000 1.380 1313 F CB -0.400 38.561 39.000 -0.064 0.000 1.093 1313 F HN 0.112 nan 8.300 nan 0.000 0.524 1314 T N -2.499 112.159 114.554 0.172 0.000 2.995 1314 T HA -0.033 4.316 4.350 -0.002 0.000 0.269 1314 T C 1.068 175.801 174.700 0.055 0.000 1.091 1314 T CA 1.070 63.227 62.100 0.095 0.000 1.128 1314 T CB -1.038 67.876 68.868 0.076 0.000 0.891 1314 T HN 0.262 nan 8.240 nan 0.000 0.492 1315 T N 0.000 114.576 114.554 0.037 0.000 3.816 1315 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 1315 T CA 0.000 62.108 62.100 0.013 0.000 1.349 1315 T CB 0.000 68.869 68.868 0.001 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658